CN1878862A

CN1878862A - Masp－2晶体结构及其用途

Info

Publication number: CN1878862A
Application number: CNA2004800326388A
Authority: CN
Inventors: 维罗尼卡·哈马特; 彼得·盖尔; 彼得·扎沃德斯基; 格扎·安布鲁斯
Original assignee: NatImmune AS
Current assignee: NatImmune AS
Priority date: 2003-09-05
Filing date: 2004-09-06
Publication date: 2006-12-13

Abstract

本发明涉及MASP－2多肽的晶体及其用途。本发明公开了MASP－2晶体可用于测定MASP－2多肽，包含有催化活性的MASP－2多肽以及酶原MASP－2多肽的三维结构。本发明公开了所述三维结构可用于鉴定能够与MASP－2相互作用和/或抑制MASP－2的活性的化合物。

Description

MASP-2晶体结构及其用途

本发明所引用的所有专利和非专利文献，均全文包含在此作为参考。

技术领域

本发明涉及包含MASP-2的催化结构域的多肽的晶体。此外，本发明涉及所述晶体在用于鉴定能够与MASP-2相互作用的化合物和/或能调节MASP-2的活性的的化合物的in silico筛选方法中用途。

背景技术

补体系统是脊椎动物的内在免疫力的重要因素。其能够识别并消除入侵病原微生物并通过调理作用和裂解改变宿主细胞。补体是复杂的级联系统，其中丝氨酸蛋白酶以严格的顺序互相活化。根据我们目前的知识，补体系统的活化可通过三种独立途径启动：经典、外源凝集素和旁路途径。

经典和外源凝集素途径的第一个组分就是超分子酶复合体，其由识别亚基和相关丝氨酸蛋白酶组成(Gál and Ambrus，2001)。经典途径的识别亚基是C1q，其类似于由N末端胶原样臂和C末端球状头组成的六枝郁金香的花束。球状头结合活化物结构，其导致与胶原样区域相结合的丝氨酸蛋白酶酶原(C1r和C1s)的活化。一个C1q连同C1r和C1s蛋白酶(C1s-C1r-C1r-C1s)的异源四聚体形成C1复合体(Arlaud et al.，1987；Schumaker et al.，1987)。经典途径中的第一个酶事件是C1r酶原的自主活化。活化的C1r随后切割酶原C1s，C1s随后切割并活化C3-转化酶复合体的组分C2和C4。

外源凝集素活化途径的启动复合体表面上类似C1复合体。外源凝集素识别亚基甘露糖结合型外源凝集素(MBL)具有C-末端球状C-类型外源凝集素结构域和N-末端胶原样茎(Turner，1996)。MBL能结合病原表面的碳水化合物阵列并通过相关的丝氨酸蛋白酶激发补体级联的活化。有三种丝氨酸蛋白酶，甘露糖结合型外源凝集素-相关的丝氨酸蛋白酶-1，-2和-3(MASP-1/-2/-3)(Thiel et al.，1997；Matsushita et al.，2000；Dahl et al.，2001)和与MBL相关的小的非酶蛋白MAp-19(Stover et al.，1999；Takahashi et al.，1999)。关于MBL-MASP复合体的结构和功能有许多开放性问题。已经证实就MBL的寡聚物状态(从两个三聚体亚基到六个)以及与其相关联的MASP的数量和类型而言存在不同的MBL-MASP复合体(Dahl et al.，2001；Thielens et al.，2001)。最近的证据表明，和C1r与C1s不同，MASP-1和MASP-2可独立作用，它们不形成寡聚物且不需要对方即可活化。MASP-1和MASP-2可自发活化，活化的丝氨酸蛋白酶显示对不同底物的明显活性(Ambrus et al.，2003)。MASP-2是C1s-样酶，裂解C4和C2(Thiel et al.，1997；Rossi et al.，2001)。但与C1s不同，MASP-2可自发活化并由此激发补体级联而无需其它蛋白酶的作用(Vorup-Jensen et al.，2000)。显示两个MBL亚基和两个MASP-2分子组成的复合体代表最小补体固定型亚基(Chen andWallis，2001)。因此MASP-2二聚体可执行C1复合体中C1r₂C1s₂四聚体介导的所有功能。

C1r，C1s，MASP-1/-2/-3酶形成具有共同模块结构的蛋白酶家族(Sim andLaich，2000；Volanakis and Arlaud，1998；Schwaeble et al.，2002)。这些酶的N-末端作用区含有由两个CUB结构域包围的EGF样结构域。C-末端催化区含有位于两个补体控制蛋白(CCP)之后的丝氨酸蛋白酶(SP)结构域(也称SCR或sushi)模块。最近，MASP-2的CCP1-CCP2-SP，CCP2-SP和SP片段被表达并定性(Ambrus et al.，2003)。SP结构域对于自主活化而言足够并可与完整分子一样有效裂解C2底物。但对于有效的C4裂解，CCP2模块的存在是必要的。CCP2模块可含有C4分子的其它底物结合位点。因此CCP2-SP片段可被认为是MASP-2的催化结构域。

X-线晶体学研究已经显示了酶原C1r的催化区(CCP1-CCP2-SP)(Budayova-Spano et al.，2002a)以及酶原和活化的C 1r(Budayova-Spano et al.，2002b)及活化的C1s(Gaboriaud et al.，2000)的催化区(CCP2-SP)的结构。最近的C1s的N-末端CUB1-EGF片段(Gregory et al.，2003)结构以及大鼠MASP-2的CUB1-EGF-CUB2片段(Feinberg et al.，2003)已经公开。然而，没有关于任何MASP的催化结构域的信息在文献中可得。

发明内容

关于MASP蛋白的催化结构域的3D结构的信息将促进鉴定能与MASP蛋白反应的有用的化合物。例如关于活性和非活性MASP的催化结构域的3D结构的信息是有用的。具体地，MASP蛋白的调节物，诸如抑制物可以利用MASP蛋白催化结构域的3D结构的信息来设计。

尽管在技术上有一些困难，发明人成功制备了MASP蛋白的片段的晶体并揭示了其结构。

由此，本发明的一个目的是提供包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽的晶体。所述多肽具有催化活性，或所述多肽不具有催化活性。

MASP-2的3D结构的信息可用于鉴定能够与MASP-2反应的化合物，例如in silico筛选方法可以用于鉴定很可能与MASP-2反应的化合物。

本发明另一目的是提供鉴定能与包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽反应的化合物的方法，其中所述方法包括以下步骤

i)提供用于产生分子和分子复合体的三维构象的计算机系统，其中所述计算机系统包括：

机器可读数据存储介质，包括编码有机器可读数据的数据存储材料，其中所述数据包括含有来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽的结构坐标；工作存储器，其存储用于加工所述机器可读数据的指令；与所述工作存储器和所述机器-可读数据存储介质相连接的中央处理部件，该部件将所述机器-可读数据处理为所述三维图像；和

与所述中央处理部件相连接、用于显示所述三维图像的显示器；和

ii)在计算机上执行指令用于从所述多肽的晶体的结构坐标产生所述多肽的三维图像，使得计算机将包含所述多肽的分子3D模型的结构坐标的计算机可读数据载入其记忆；

iii)产生一或多种受试化合物的分子模型；

iv)从所述分子模型计算一或多种可能的分子复合体，其可通过将所述多肽与所述一或多种受试化合物相结合而形成；

v)产生输出数据，其指示相互作用的程度和/或所述相互作用的位置和/或方向；

vi)选出能与所述多肽反应的化合物。

本发明还包括可利用另一组数据重复的方法，所述数据包含含有来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续的氨基酸的另一种多肽的结构坐标。所述方法具体可利用一种催化活性MASP-2多肽和一种缺乏催化活性的MASP-2多肽重复，例如一种双链形式的MASP-2多肽和一种单链形式的MASP-2多肽。因此，所述方法可包括选择仅仅能与催化活性MASP-2反应的化合物，或仅仅能与缺乏催化活性的MASP-2反应的化合物，或能与催化活性MASP-2和缺乏催化活性的MASP-2反应的化合物。

利用in silico方法选择能与MASP-2反应的化合物之后，通常需要在体外证实反应。

优选本发明的方法还包括以下步骤

vii)提供至少一种所选的化合物；

viii)提供包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽；

ix)是所述多肽与所选的化合物在可发生相互作用的条件下接触；

x)检测所述多肽与所选化合物之间的相互作用，由此鉴定能与所述多肽反应的化合物。

用于体外方法的多肽可为相同的多肽，其坐标可用于建立3D模型，或其可以是不同多肽，也包括来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续的氨基酸。例如用于体外方法的多肽可以是全长MASP-2多肽，而用于建立所述3D模型的多肽可以是仅仅包括CCP-2和MASP-2的丝氨酸蛋白酶结构域的多肽。

本发明的另一目的是提供能与本发明的方法鉴定的MASP-2多肽反应的化合物。

MASP-2的3D结构的信息也可用于鉴定能抑制MASP-2活性的化合物。具体地，能与MASP-2活性所需的位点反应的化合物可以是有用的MASP-2活性抑制物。例如，能与MASP-2的C4结合口袋反应的化合物可以是有用的MASP-2抑制物。

因此，本发明的目的是提供鉴定能抑制MASP-2活性的化合物的方法，其中所述方法包括以下步骤：

i)提供用于产生分子或分子复合体的三维构象的计算机系统，其中所述计算机系统包括：

机器可读数据存储介质，包括编码有机器可读数据的数据存储材料，其中所述数据包括含有CCP-2和MASP-2的丝氨酸蛋白酶结构域的多肽的结构坐标；

工作存储器，其存储用于加工所述机器可读数据的指令；

与所述工作存储器和所述机器-可读数据存储介质相连接的中央处理部件，该部件可将所述机器-可读数据存储介质处理为所述三维图像；和

ii)在计算机上执行指令用于从所述多肽的晶体的结构坐标产生所述多肽上的底物结合位点的三维图像，使得计算机将包含所述结合位点的分子模型的结构坐标的计算机可读数据载入其记忆；

iii)产生一或多种受试化合物的分子模型；

iv)从所述分子模型计算一或多种可能的分子复合体，其可通过将所述结合位点与所述一或多种受试化合物相连而形成；

vi)选出能与所述结合位点反应的化合物，由此鉴定MASP-2活性的抑制物。

如果MASP-2多肽是催化活性MASP-2，抑制物可为例如与活性位点相互作用的化合物。如果MASP-2多肽是酶原MASP-2，则抑制物可为例如与MASP-1自发裂解位点相互作用的化合物。所述化合物随后可抑制MASP-2的活化。

利用in silico方法选出能抑制MASP-2活性的化合物之后，通常需要在体外证实所述化合物的抑制性质。

因此，本发明的方法还包括以下步骤

vii)提供至少一种所选的化合物；

viii)提供MASP-2；

ix)测定存在或缺失所述化合物的情况下MASP-2的活性；

x)鉴定其存在时的MASP-2活性低于其缺乏时的MASP-2活性的化合物。

本发明的目的也包括提供通过本发明的方法鉴定的能抑制MASP-2活性的化合物。

附图说明

图1.MASP-2 CCP2-SP片段的总体结构。(A)分子A(深灰)和分子B(浅灰)的晶体结构立体带状图，其中SP结构域是叠合的。CCP2模块的β-链和C-末端是标记的。催化三联体的残基显示为棒状并标记为‘a.s.’。(B)分子A的CCP模块叠合于C1s(浅蓝)和C1r(绿)的所述模块之上，其中β-链是标记的。(C)分子A的活性SP结构域叠和于C1s和C1r的所述结构域之上，其中活性位点残基显示为棒状。环根据Perona and Craik(1997)标记。

图2.CCP2/SP界面区。(A)MASP-2分子A(红)，分子B(黄)，C1s(浅蓝)，和C1r(CCP2-SP活性形式：浅绿)的骨架(backbone)构象，其中CCP2模块是叠合的。由于界面接触的拓扑学差异，MASP-2活性位点(丝氨酸c195侧链显示为实心的；对于CCP2-SP酶原为中度绿色，对于CCP1-CCP2-SP酶原为深绿)与C1r和C1s的活性位点相比明显改变。B-D代表从A旋转90°的图(侧视图)。显示了MASP-2分子A(B)，分子B(C)，和C1s(D)的CCP2/SP界面区。形成MASP-2中的结构域间接触的残基显示为球和棒状物，还显示了C1s的相应残基。在MASP-2中，这些残基形成氢键网络(显示为绿色点状线)，其在C1s中没有确定。为了清楚，一些侧链原子没有显示，碳原子和SP结构域的带状示意图以蓝色显示，而结构域间接头的那些以黄色显示，N末端环和B1为玫瑰色，CCP2模块的其余部分为桔红色。

图3.MASP-2的底物结合亚位点(subsite)。(A)显示天然底物MASP-2，C2和C4以及假性底物C1抑制物的P4-P4’片段的序列。(B)MASP-2底物结合亚位点区域的分子表面的立体图根据残基类型染色(酸性：红，碱性：蓝，极性：黄，疏水性：灰)。模型肽(绘制为棒)代表C2的P4-P2’残基，显示为与MASP-2结构叠合。

图4.C4d上MASP-2和C1s的可能的结合位点。MASP-2 CCP2模块(A)和C1s CCP2模块(B)的分子表面从相同的角度显示，针对静电势进行染色(红：负电；蓝：正电)。标记了MASP-2和C1s之间保守的带电残基。加入晶体结构中杂乱的侧链。从后视角度显示了(C)MASP-2(红紫色)和C1s(浅蓝)的带状示意图，其与C4d可能的CCP结合位点叠合。所述模型基于C3d和C4d之间的结构同源性构建。C4d的分子表面示意图根据静电势进行染色(红：负电；蓝：正电)，其残基可能与斜体标记的MASP-2/C1s CCP2模块形成静电反应。侧链C1s E356/MASP-2 E378的构象被调节。(D)叠合的结构的侧面视图。C4d的带状示意图以淡紫色显示，其C和N末端以及硫酯区域被标记，而MASP-2和C1s分别以红紫色和淡蓝色显示。

图5.MASP-2的示意图，显示各个结构域。

图6.人MASP-1，MASP-2，C1r和C1s序列的比对，表明存在单个结构域的是MASP-2。在四种蛋白中保守的氨基酸还进一步用星号标示。

图7显示PMSF和MASP2γB的IC50测定。

图8显示Pefablock和MASP2γB的IC50测定。

图9显示Benzamidin和MASP2γB的IC50测定。

图10显示NPGB和MASP2γB的IC50测定。

图11显示APMSF和MASP2γB的IC50测定。

图12显示亮肽素和MASP2γB的IC50测定。

图13显示E64和MASP2γB的IC50测定。

图14显示苯甲脒的结构。

图15显示亮肽素的结构。

图16显示NPGB的结构。

图17A显示MASP-2的底物结合口袋中苯甲脒的200种对接的(docked)构象的叠合图像。存在两个位置接近的分离簇。

图17B显示MASP-2的底物结合口袋中的苯甲脒结构。显示所述蛋白的表面，苯甲脒以球和棒显示。

图18A显示MASP-2的底物结合口袋中亮肽素的200种对接的(docked)构象的叠合图像。

图18B显示MASP-2的底物结合口袋中亮肽素的最小能量构象。所述蛋白显示于表面，亮肽素以球和棒显示。

图19A显示MASP-2的底物结合口袋中NPGB的200种对接的构象的叠合图像。可见两个位置接近的簇。

图19B显示MASP-2的底物结合口袋中NPGB的最小能量构象。所述蛋白显示于表面，NPGB以球和棒显示。

发明详述

MASP-2

MASP-2蛋白包括多个结构域，即CUB1，EGF，CUB2，CCP1，CCP2和丝氨酸蛋白酶结构域。图5是MASP-2的示意图。人MASP-2的各个结构域的位置显示于图2中。

MASP-2的催化结构域是MASP-2的任何包含催化活性的结构域。通常，所述催化结构域包含至少MASP-2的丝氨酸蛋白酶结构域。MASP-2的催化活性优选是针对适宜底物的丝氨酸蛋白酶活性，诸如酶原MASP-2，C2和/或C4。催化活性可以利用本文在“MASP-2活性”部分中所述的任何方法测定。

一个实施方案中，本发明涉及包含MASP-2的丝氨酸蛋白酶结构域的少150，例如至少175，诸如至少200个连续氨基酸的多肽。所述多肽在本文称为“MASP-2的多肽”。

MASP-2的多肽优选包括MASP-2的丝氨酸蛋白酶结构域。此外，MASP-2的多肽还包括MASP-2的一或多个其它结构域，诸如CCP-2结构域。在优选的实施方案中，所述多肽包含CCP-2结构域和MASP-2的丝氨酸蛋白酶结构域。

术语“MASP-2”意指任何本领域技术人员已知的MASP-2分子及其功能同源物。所述MASP-2可例如源自哺乳动物，例如MASP-2可以源自人。本发明优选实施方案中，MASP-2是SEQ ID 1所示的人MASP-2或其功能同源物，所述功能同源物与SEQ ID 1具有至少50％，优选至少60％，更优选至少70％，更优选至少80％，更优选至少90％，更优选至少95％同源性或更优选同一性。

因此，在优选的实施方案中，包含MASP-2的丝氨酸蛋白酶结构域的多肽含有SEQ ID 1的氨基酸363-686。另一优选实施方案中，包含MASP-2的丝氨酸蛋白酶结构域的多肽含有SEQ ID 1的氨基酸299-686。

除了源自MASP-2的序列，所述多肽还包括其它序列，例如额外的肽序列，其含有至少一个氨基酸，优选1-500，诸如1-250，例如1-100，诸如1-75，例如1-50，诸如1-25，例如1-10个氨基酸，所述的氨基酸并非来自MASP-2。优选，所述额外的肽序列包括至多20，诸如至多10，例如至多5，例如约4个氨基酸。额外的肽序列可以位于MASP-2片段的N末端或C末端或其内部。优选所述片段位于MASP-2来源的片段的N末端或C末端。

本发明的一个优选实施方案中，所述多肽包含序列为ALA SER METTHR的额外的肽。优选所述序列位于N-末端。因此，优选所述多肽由偶联于SEQ ID 1的氨基酸363-686的N末端的序列ALA SER MET THR组成。在另一优选实施方案中，所述多肽优选由偶联于SEQ ID 1的氨基酸299-686的N末端的序列ALA SER MET THR组成。

本发明的一个优选实施方案中，MASP-2的多肽是酶活性形式(本文也称为催化活性形式)。因此，所述多肽优选具有野生型MASP-2的活性的至少20％，诸如至少30％，例如至少40％，诸如至少50％，例如至少60％，诸如至少70％，例如至少80％，诸如至少90％，例如至少95％。MASP-2活性可如本发明其它部分所述测定。因此优选所述多肽是酶活性的双链形式。

本文术语“MASP-2的多肽”意图包括MASP-2的单链和双链形式。

本发明的一个实施方案中，MASP-2是单链形式。单链形式也称酶原MASP-2。为了确保MASP-2是单链形式，所述MASP-2可包括一或多个突变，优选在裂解位点中的一或多个突变。因此MASP-2多肽在本发明的一个实施方案中可包含SEQ ID 1的MASP-2的至少150连续氨基酸，其中一或多个氨基酸已经被突变。具体地，优选SEQ ID 1的氨基酸443-445中的至少一个被突变。更优选，MASP-2多肽可包含SEQ ID 1的氨基酸296-686或由其组成，其中氨基酸444被突变，优选氨基酸444由R突变为Q。

MASP-2的多肽或包含MASP-2的丝氨酸蛋白酶结构域的多肽的功能等同物或功能同源物是于所述多肽的预定的氨基酸序列(例如SEQ ID 1所示氨基酸序列的片段)具有至少一些序列同一性的多肽。功能等同物将还保持至少30％，诸如至少40％，例如至少50％，诸如至少60％，例如至少70％，诸如至少80％，例如至少90％，诸如至少95％的MASP-2活性。测定MASP-2活性的方法在本发明下面描述。术语“功能性同源物”和“功能等效物”在本文中可互换使用。

本发明的功能性同源物，包括具有这样的氨基酸序列的多肽，所述氨基酸序列与本文上述预先确定的多肽序列具有某些同源性。例如，多肽与本文上述预定的多肽序列具有至少约40％，诸如至少约50％、例如至少约60％、诸如至少约70％、例如至少约75％、诸如至少约80％、例如至少约85％、诸如至少约90％、例如至少92％、诸如至少94％、例如至少95％、诸如至少96％、例如至少97％、诸如至少98％、例如至少99％同源性。

优选地，同源性可以用任何合适的算法或所述算法的计算机执行程序来进行计算，例如Intelligenetics公司PC/Gene程序中的GLUSTAL算法，或者Genetics Computer Group(GCG)公司Wisconsin Genetics SoftwarePackage中的GAP，BESTFIT，BLAST，FASTA，TFASTA算法。氨基酸序列的同源性可以进一步使用已知的矩阵程序来计算，例如BLOSUM 30，BLOSUM 40，BLOSUM 45，BLOSUM 50，BLOSUM 55，BLOSUM 60，BLOSUM 62，BLOSUM 65，BLOSUM 70，BLOSUM 75，BLOSUM 80，BLOSUM 85，BLOSUM 90中的任意一种矩阵程序。

本发明的功能同源物是优选具有这样的氨基酸序列的多肽，其与上文所述预定的MASP-2多肽序列至少约50％，优选至少约60％，更优选至少约70％，更优选至少约75％，更优选至少约80％，更优选至少约85％，更优选至少约90％，更优选至少95％同源，最优选具有至少98％同一性。

功能同源物可以包括至少一个氨基酸被其他任何氨基酸取代的氨基酸序列。例如，取代可以是保守的氨基酸取代，也可以是非保守的氨基酸取代。优选，所述取代是保守取代。

保守氨基酸取代，是预先确定一组氨基酸内部的一个氨基酸取代相同组内的另一氨基酸，其中预先确定组内的氨基酸显示相似或者基本上相似的特性。本申请所用术语“保守氨基酸取代”的含义是，一个氨基酸可以被组内具有以下特性的另一氨基酸取代：

i)极性侧链(Asp、Glu、Lys、Arg、His、Asn、Gln、Ser、Thr、Tyr、和Cys)；

ii)非极性的侧链(Gly、Ala、Val、Leu、Ile、Phe、Trp、Pro、和Met)；

iii)脂肪族侧链(Gly、Ala、Val、Leu、Ile)；

iv)环侧链(Phe、Tyr、Trp、His、Pro)；

v)芳族侧链(Phe、Tyr、Trp)；

vi)酸性支链(Asp、Glu)；

vii)碱性侧链(Lys、Arg、His)；

viii)酰胺侧链(Asn、Gln)；

ix)羟基侧链(Ser、Thr)；

x)含硫侧链(Cys、Met)；以及

xi)单氨基-二羧酸类氨基酸或者单氨基单羧酸-单酰胺羧酸类氨基酸(Asp、Glu、Asn Gln)。

氨基酸的增加或缺失，可以是增加或缺失2至5个氨基酸，例如5至10个氨基酸、10至20个氨基酸20至50个氨基酸。然而，本发明也包括50个以上氨基酸的增加或缺失，例如增加50至200个氨基酸。

除了本文所述的多肽化合物，空间上相似的化合物也可配制为模拟肽结构的关键功能，并且所述化合物也可以与本发明的肽相同的方式使用。这可通过本领域技术人员已知的模型合化学设计技术实现，例如酯化作用和其它烷化作用可用于修饰例如肽骨架的二精氨酸肽骨架的氨基末端以模拟四肽结构。将理解所有所述空间类似的构建体包含在本发明的范围内。

具有N末端烷基化和C末端酯化的肽也包含在本发明内。功能等同物也包含糖基化和共价或聚集型偶联物，包括二聚体以及不相关的化学部分。所述功能等同物通过利用本领域已知方法将功能部分(functionalities)连接于见于包括位于N和/或C末端的片段中的基团来制备。

功能等同物由此可包含这样的片段，其偶联于羧基末端的脂肪或酰基酯或酰胺，烷基胺或含有羧基侧链的残基，例如偶联于天冬氨酸残基的烷基胺；含有羟基的残基的O-酰基衍生物以及氨基末端氨基酸或含有氨基的残基的N-酰基衍生物，例如与Met-Leu-Phe偶联。酰基基团的衍生物选自烷基-部分的基团(包括C3-C10常见烷基)，由此形成烷酰基种类，或碳环或杂环化合物，由此形成芳酰基种类。所述反应基团优选是双功能化合物，其本身已知可用于通过反应性侧链基团将蛋白质与不可溶的基质交联。

功能类似物可进一步包括核酸编码的多肽，所述核酸可在严谨条件下如上文所述与编码预定的MASP-2多肽的核酸序列的互补链杂交。

本文所用严谨条件，如同例如Southern E.M.，1975，J.Mol.Biol.98：503-517所描述的那样，表示在有关Southern印迹法和杂交方面通常使用严格方式。为了此目的，常规实践包括预杂交和杂交的步骤。按照Sambrook等，1989，在″Molecular Cloning/A Laboratory Manual″(Cold Spring Harbor)(该文献在此引入作为参考)中描述的那样，所述步骤通常如下进行：使用含有6xSSPE、5％Denhardt′s、0.5％SDS、50％甲酰胺、100g/ml变性的鲑鱼睾丸DNA的溶液(于42℃温育18小时)，继之用2x SSC和0.5％SDS洗涤(在室温和37℃进行)，然后用0.1x SSC和0.5％SDS洗涤(在68℃温育30分)。

晶体

本发明MASP-2多肽的晶体优选用于利用X线衍射测定所述晶体的结构。

优选实施方案中，所述晶体包含MASP-2的CCP-2和丝氨酸蛋白酶结构域的多肽的晶体。所述晶体可包含超过一种肽，例如两种肽。优选实施方案中，所述晶体包含活性双链形式的MASP-2的CCP-2和丝氨酸蛋白酶结构域。

因此，优选所述晶体衍射X线，用于以至少5_，优选至少4_，更优选至少3_，更优选至少2.5_，最优选至少2.25_的分辨率测定原子坐标。

本发明非常优选的实施方案中，所述晶体包括以以下坐标表示的空间关系排列的原子：表3的结构坐标，和与其标准差(root mean square deviation)不超过2.5_，优选不超过2.25_，更优选不超过2.0_，更优选不超过1.75_，更优选不超过1.5_，例如不超过1.25_，诸如不超过1.0_的坐标。优选，所述坐标与表3的坐标的标准差不超过2.5_，优选不超过2.25_，更优选不超过2.0_，更优选不超过1.75_，更优选不超过1.5_，例如不超过1.25_，诸如不超过1.0_。

优选，所述包含或更优选以id 1q3x沉积于PDB的结构组成。

所述晶体还包括单链形式的MASP-2的CCP-2和丝氨酸蛋白酶结构域，优选所述MASP-2包含至少一种位于裂解位点内的突变(详见关于上述酶原MASP-2的描述)。

本发明的另一实施方案中，所述晶体包含以以下坐标表示的空间关系排列的原子：表4的结构坐标，或与表4的坐标的标准差不超过2.5_，优选不超过2.25_，更优选不超过2.0_，更优选不超过1.75_，更优选不超过1.5_，例如不超过1.25_，诸如不超过1.0_的坐标。优选，所述坐标与表4所示坐标的标准差不超过2.5_，优选不超过2.25_，更优选不超过2.0_，更优选不超过1.75_，更优选不超过1.5_，例如不超过1.25_，诸如不超过1.0_。

所述晶体可包括一个以上MASP-2的肽每个不对称单元，本发明的优选实施方案中，所述晶体包含多个MASP-2的多肽每个不对称单元。

优选所述晶体具有以下晶胞大小：

a＝40-42，优选40.5-41.5，更优选约41

b＝40.5-42.5，优选41-42，更优选约41.5

c＝102-104，优选102.5-103.5，更优选约103

α＝(＝95.5-97.5，优选96-97，更优选约96.4

β＝(＝90.8-92.8，优选91.3-92.3，更优选约91.8

γ＝(＝118.5-120.5，优选119-120，更优选约119.5

最优选所述晶体具有以下数据：

空间群(spacegroup)：P1，2分子/不对称单元，

晶胞大小：a＝40.950 b＝4 1.521 c＝102.994 alpha＝96.44 beta＝91.77gamma＝119.52_.

MASP-2活性

本发明的一个方面涉及鉴定能抑制MASP-2活性的化合物。MASP-2活性可以通过任何适宜测定法测定。有用的测定法包括其中MASP-2/MBL复合体的丝氨酸蛋白酶活性被测定的测定法。优选测定法是测定C2和/或C4和/或MASP-2的裂解的测定法。最优选的测定法测定C2或C4的裂解。

可检测MASP-2活性的抑制物对C2和/或C4沉积的抑制，即对C2和/或C4裂解的抑制。

所述测定法可包括以下步骤制备固体表面，所述固体表面上固定了MBL结合剂，使所述MBL结合剂与MBL/MASP-2复合体结合，以及筛选对MASP-2催化的反应的抑制。

所述固体表面是任何可用的固体表面，例如微量滴定板的孔。所述MBL结合剂可以是任何MBL以高亲合力结合的化合物，例如MBL抗体，甘露聚糖，或甘露糖，优选其为甘露聚糖。MBL/MASP-2复合体可以衍生自任何适宜来源，其可为例如重组MBL，重组MASP-2或MBL和/或纯化自血清的MASP-2。重组MBL/MASP-2可以是全长MBL/MASP-2或其功能片段。此外，重组MBL/MASP-2可以连接于一或多个其它化合物，诸如遗传标记。MBL和/或MASP-2可以是源自任何适宜物种，例如其可为人MBL/MASP-2。本发明的一个实施方案中，MBL/MASP-2复合体见于完全(full)血清并在进行所述测定法之前进行纯化。所述测定法随后检测对底物即完全血清中的C4的沉积的抑制。MASP-2催化的反应优选是C2和/或C4的沉积。

将待筛选其抑制活性的化合物加入结合的MBL/MASP-2。没有加入的化合物的对照也优选进行所述操作。所述化合物可以根据具体化合物的形式以任何适宜浓度加入，例如以浓度1μg/ml-10,000μg/ml，诸如5μg/ml-1000μg/ml，例如10μ(g/ml-300μg/ml，诸如15μ(g/ml-200μg/ml，例如20-100μg/ml。

将MASP-2底物加入MBL/MASP-2复合体。优选，所述底物是C2和/或C4或人工MASP-2底物。优选实施方案中，所述底物是C4。所述底物可以是重组制备的或血清衍生的底物。所述底物可在使用前纯化或不经纯化，但优选其为纯化的。为了监测沉积，所述底物可以用可检测标记进行标记，例如酶，放射活性化合物，荧光化合物，染料，重金属，化学发光化合物等标记。

但优选所述沉积利用特异性结合剂检测，诸如抗体，其特异性识别消化的底物。例如，识别人补体C4c的抗体可使用。所述抗体可为标记的，直接或间接地通过可检测标记来标记。例如通过酶，放射活性化合物，荧光化合物，染料，重金属，化学发光化合物，或亲和化合物进行标记。亲和化合物包括例如其它抗体或生物素，链霉抗生物素。

上述步骤可以任何可用顺序进行，即底物可在抑制性抗体之前或同时加入，MBL/MASP-2复合体可以与底物混合例如5分钟-2小时。通常MBL/MASP-2，底物和抗体预混合，当MBL/MASP-2复合体存在于血清中并没有从血清中纯化时。

本发明的一个优选实施方案中，MASP-2的活性利用下文实施例2，3，6中描述的任何方法测定。具体地，能抑制C4沉积的化合物应优选能抑制实施例2或3中所述方法中的至少一种优选两者之中的C4沉积，更优选至少能抑制实施例2所述方法中的C4沉积，而能抑制完全血清中的C4沉积的化合物应能抑制实施例3中所述的完全血清中的C4沉积。

制备晶体

多次成功尝试以后，鉴定适宜制备MASP-2多肽晶体的条件。

因此本发明一方面涉及制备包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽的晶体的方法，其中所述方法包括以下步骤

i)提供所述多肽；

ii)可选提供能与所述多肽相互作用的化合物；

i)使所述晶体在这样的条件下生长，其中所述多肽且可选所述化合物在缓冲液中保温，所述缓冲液包含5-25％的聚乙二醇，0.01M-0.5M的盐，1-10％选自甘油和2-甲基-2，4-戊二醇组成的组的醇，其中所述缓冲液的pH范围是6-9；

ii)由此制得所述晶体。

本发明的一个实施方案中，制备所述多肽与能与所述多肽反应的化合物的共同晶体(co-crystal)。所述化合物已经通过下文所述的任何方法鉴定。因此，所述化合物在本发明的一个方面可为调节物，诸如MASP-2活性抑制物。

所述共同晶体可用于设计优化的化合物，其具有增强的结合活性。具体地，所述共同晶体可用于设计MASP-2的更好的抑制物。

所述缓冲液优选包含5-25％聚乙二醇，更优选10-20％，更优选12-18％，更优选14-16％，最优选约15％聚乙二醇。聚乙二醇(PEG)可以是任何适宜PEG，例如选自PEG 4000，PEG 6000和PEG 8000组成的组的PEG，优选聚乙二醇是PEG 6000.

所述缓冲液优选包含0.01M-0.5M盐，更优选0.02-0.4M，更优选0.05-0.3M，更优选0.08-0.2M，最优选约0.12M盐。所述盐可为任何可用的盐，优选所述盐是NaCl。

所述缓冲液优选包含1-10％醇，其选自甘油和2-甲基-2，4-戊二醇(2-methyl-2，4-penthanediol)组成的组，更优选2-9％，更优选3-8％，更优选4-6％，最优选约5％选自甘油和2-甲基-2，4-戊二醇(2-methyl-2，4-penthanediol)组成的组的醇。优选所述醇是甘油。

所述缓冲液pH优选6-9，更优选6.5-8.5，更优选7-8，更优选7.4-7.5。

保温应在适宜温度进行，优选温度为5-25℃，更优选10-25℃，更优选15-25℃，更优选18-22℃，更优选约20℃。

所述晶体可通过适宜方法生长，例如通过悬滴法(hanging drop method)。结构测定

晶体结构的测定可通过本领域已知任何方法测定，例如利用X线衍射。一旦结构被鉴定，所述结构可利用适宜软件限定。

本发明的一个实施方案中，使用分子置换技术。所述技术包括通过获得意图测定其三维结构的多肽或复合体的晶体的X线衍射数据来测定结构。然后，通过利用分子置换技术参考结构类似的蛋白质的已知结构坐标，通过分析X线衍射数据测定所述多肽或复合体的三维结构。对于包含MASP-2结构域的多肽，C1r或C1s中类似结构域的结构坐标也可使用。如美国专利5,353,236所述，分子置换利用具有已知结构的分子作为起点来模制未知晶体样品的结构。该技术基于位于单晶胞中具有相似结构、方向和位置的两个分子的衍射相似的原理。分子置换涉及与未知结构的位置和方向相同的晶胞中的已知结构的定位。一旦定位，晶胞中已知结构的原子用于计算得自假想衍射试验的结构因子。这涉及在6个维度(三个角和三个空间维度)中旋转已知结构，直到获得已知结构与试验数据的比对。大概的结构可微调(fine-tuned)以利用各种精制(refinement)技术获得更为精确且通常更高的分辨率。例如，用于通过试验数据精确的结构的结果模型可经过严格的体精制，其中所述模型经受有限的额外六维其它旋转，产生低于大约5％的位移。该精制模型可随后利用其它已知精制方法进一步精制。

测定MASP-2的多肽或所述多肽与反应性化合物的复合体的三维结构的其它方法是同源性模拟技术(homology modelling techniques)。同源性模拟涉及利用一或多个相关蛋白，蛋白结构域和/或亚结构域的结构坐标构建未知结构的模型。同源性模拟通过将其三维结构待测定的蛋白或肽的共同或同源性部分拟合于同源结构元件的三维结构来进行。同源性模拟可包括重构部分或全部三维结构，其利用具有待测定相关结构的那些来置换氨基酸(或其它组分)。

结构测定的实例描述于实施例1。

本发明的晶体多肽的结构坐标可以机器可读形式保存于机器可读存储介质上，例如计算机硬盘，磁盘，DATA带，CD-ROM等中用于显示三维形状或其它涉及计算机辅助的结构坐标或其定义的三维结构的操作或基于结构坐标或其定义的三维结构的计算其它用途。例如，定义MASP-2的多肽的三维结构的数据可储存在机器可读存储介质中，并可作为蛋白质结构的三维图像显示，通常利用可从所述存储介质读取数据并具有从所述数据产生图像的指令的计算机。本发明因此包括机器，诸如计算机，其具有含有代表本发明晶体组合物的结构坐标的数据，例如表3或4所述的坐标，以及其它可选数据，和用于操作所述数据的指令。所述数据可用于多种目的，诸如说明其它相关结构合药物发现。

利用具有利用第一数据组和第二数据组来测定至少部分对应第二组机器可读数据的坐标的指令，可将第一组所述机器可读数据与第二组机器可读数据组合。例如，第一组数据包括表3所示复合体坐标或表4所示坐标的至少一部分的Fourier转化，而第二数据组可包括分子或分子复合体的X线衍射数据。

更具体地，本发明的一个目的是提供包含MASP-2催化结构域的共同复合体的三维结构信息。为此，我们应用了本发明晶体组合物的结构坐标或其一部分来解决例如通过分子置换或同源性模拟技术，另一相似丝氨酸蛋白的晶体形式的三维结构，例如另一种MASP或多肽：反应性化合物复合体。

例如，可利用分子置换探究诸如表3所示坐标组以测定包含MASP-2催化结构域的多肽与反应性化合物的晶体共同复合体的结构。可利用分子置换探究一组坐标诸如表4所示坐标以测定包含酶原MASP-2多肽的多肽与反应性化合物的晶体共同复合体的结构。

结构的用途

本发明所述多肽的3D图像可用于多种用途，例如用于测定相似蛋白或多肽的结构(见上文)或设计能与所述多肽反应的化合物。

例如，来自MASP-2的多肽的机器可读数据定义的三维结构可通过计算评估其与各种化学实体或化学化合物结合的能力。术语“化学实体”在本文指化合物，至少两种化合物的复合体，所述化合物或复合体的片段。

例如，定义MASP-2的多肽或其复合体的3D结构的第一组机器可读数据与定义目的化学实体或受试化合物的结构的第二组机器可读数据组合，所述组合利用具有用于评估化学实体或化合物与MASP-2的多肽或其复合体的结合的能力和/或所述结合的位置和/或方向的指令程序的机器。所述方法为蛋白表面与化学实体的结合的位置、方向和能量提供了较为深刻的认识。

所述数据定义的三维结构可以以允许目测所述结构以及目测所述多肽组分与反应性化合物的结合的方式显示为图像。可选，更多的定量或计算方法可使用，例如本发明的一种方法是评估化合物实体与本文所述的任何分子或分子复合体结合的能力，包括以下步骤：(a)采用计算方法进行化学实体和结合位点或分子或分子复合体上的其它表面特征之间的拟合操作；和(b)分析所述拟合操作的结果以定量所述化学实体与结合位点之间的结合。

本发明进一步提供本发明晶体组合物的结构坐标或其一部分的用途，以鉴定三维结构中的反应性氨基酸，诸如半胱氨酸残基，优选在结合位点中或接近结合位点；以产生或显示分子表面诸如水可接近表面或包含所有原子的空间填充性范德华(van der Waals)表面的表面；以计算或显示蛋白质或复合体的表面特征的大小或形状；以定位三维结构中的可能的H键供体和受体，优选位于配体结合位点之内或邻近处；计算三维结构中的疏水性和亲水性区域，优选位于配体结合位点内或其附近；和计算并显示位于对于所选目的功能基团(例如氨基，羟基，羧基，亚甲基，烷基，烯基，芳香烃，芳香环，杂环等)而言有利相互作用能量的蛋白表面上或其附近的区域。可利用前述用于定性MASP-2的多肽及其与潜在与化合物反应的部分的相互作用来设计和选择能特异性共价连接于反应性氨基酸(例如半胱氨酸)的化合物，并设计具有与蛋白表面性质的互补性质(例如大小，形状，电荷，疏水性/亲水性，参与氢键的能力等)的化合物，所述性质的组可被预选。利用结构坐标，可预测或计算复合状态的给定蛋白质配体的方向结合常数或相对亲和力，并利用所述信息设计或选择具有改善的亲和力的化合物。

在所述情况中，MASP-2的多肽或其一部分或复合体的结构坐标可以以机器可读形式输入配有用于执行所需操作的指令并含有任何所需其它数据的计算机，所述其他数据例如定义潜在的反应性化合物或其部分的结构和/或功能特征的数据，定义各种氨基酸的分子性质等的数据等。

本发明的一种方法提供从化学结构数据库选择能与MASP-2的多肽结合的化合物。所述方法起始于本发明晶体结构的结构坐标，例如定义MASP-2的多肽或其一部分或复合物的三维结构的坐标。与该三维结构相关的点(points)是根据有利于与一或多个功能基团的相互作用定性的。随后基于前述定性搜索化学结构的数据库中的候选化合物，所述化合物含有位置有利于与蛋白质发生反应的一或多个功能基团。具有最适合与所述三维结构的有利反应的点的结构的化合物由此得以鉴定。

通常优选但不必要，所述搜索在计算机辅助下进行。定义MASP-2的多肽或其一部分或其多肽/相互作用复合物的3D结构的第一组机器可读数据，与定义一或多个目的部分或功能基团的第二组机器可读数据组合，所述组合利用配置有用于鉴定功能基团和多肽原子之间的有利相互作用的优选位置的指令的机器进行。第三组数据，即定义所述多肽与功能基团之间的有利相互作用的位置的数据由此产生。该第三组数据随后与定义一或多个化学实体的第四组数据组合，所述组合利用配置有鉴定含有功能基团的化学实体的指令程序的机器进行，所述功能基团的位置最适合它们与所述多肽的各自的有利作用。

可检测具有通过前述方法之一选择或设计的结构的化合物结合MASP-2的多肽的能力。

本发明优选实施方案中，所述化合物优选是MASP-2活性的调节物。例如，可与MASP-2的结合位点反应的化合物可以是MASP-2活性的较好抑制物。因此，可检测具有根据前述方法之一选择或设计的结构的化合物调节MASP-2活性诸如抑制MASP-2活性的能力(见上文)。

本领域技术人员将理解，各种计算机分析可用于测定给定多肽(或其部分或复合体)以及MASP-2的多肽或其诸如本文所述那些复合体之间的三维结构的相似性程度。所述分析可利用可购得的软件进行，诸如MolecularSimilarity application of QUANTA(Molecular Simulations Inc.，Waltham，Mass.)版本3.3，如根据一同包装的User′s Guide，Volume 3 pgs.134-135所述使用。

分子相似性应用允许比较不同结构，相同结构的不同构象，以及相同结构的不同部分。用于Molecular Similarity中比较结构的方法分为四步：(1)加载待比较的结构；(2)定义这些结构中的原子等同性；(3)进行拟合操作；和(4)分析这些结果。

每种结构通过名称鉴定。一种结构被鉴定为靶(即固定的结构)；所有保留的结构是工作结构(即运动性结构)。由于QUANTA内的原子等同性通过使用者输入定义，为本发明的目的，对于两种被比结构之间的所有保守残基并仅仅考虑刚性拟合操作(rigid fitting operations)，我们定义等同原子为蛋白质骨架原子(N，Cα，(，C和O)。

当使用刚性拟合方法时，所述工作结构被翻译并旋转以获得与靶结构的最佳拟合。拟合操作利用最小平方拟合算法(least squares fitting algorithm)，其计算将用于移动性结构的最佳翻译和转动，使得所述拟合相对于规定的等同原子对的标准差是绝对值最小的。该数值以埃给出，由QUANTA报告。

为了本发明的目的，当利用骨架原子在本发明蛋白质或复合体的相关结构坐标例如表3或4所示坐标上叠合时，MASP-2的多肽或其分子复合体的结构坐标的任何组具有的保守残基骨架原子(N，Cα，(，C，O)的标准差低于1.5_，即被认为是相同的。更优选，所述标准差低于1.0_。最优选，所述标准差低于0.5_。

术语“标准差”指自平均值的方差的计算平均值的平方根。其是表达自趋势或目的的偏差或变异的方法。为本发明的目的，“标准差“定义来自本发明蛋白骨架的蛋白质骨架中的变异，诸如如表3的结构坐标定义的MASP-2的CCP-2丝氨酸蛋白酶结构域或如表4的结构坐标定义的酶原CCP-2/丝氨酸蛋白酶结构域，并在本发明描述。

术语“最小平方”指基于值的最佳估计是其中观察值的方差平方之和最小的情况原则。

为了利用产生自本发明晶体物质的结构坐标，例如表3所示的结构坐标或标4所示的结构坐标，通常需要或期望将它们显示为或将它们转化成三维形状，或操作它们。通常通过使用可购得的软件诸如程序可实现，所述程序能从结构坐标组产生分子或其一部分的三维图像。

为了说明，用于显示或操作蛋白结构的计算机程序的非穷尽性列表包括以下内容：

Midas(Univ.of California，San Francisco)

MidasPlus(Univ.of Cal.，San Francisco)

MOIL(Univeristy of Illinois)

Yummie(Yale University)

Sybyl(Tripos，Inc.)

Insight/Discover(Biosym Technologies)

MacroModel(Columbia University)

Quanta(Molecular Simulations，Inc.)

Cerius(Molecular Simulations，Inc.)

Alchemy(Tripos，Inc.)

LabVision(Tripos，Inc.)

Rasmol(Glaxo Research and Development)

Ribbon(University ofAlabama)

NAOMI(Oxford University)

Explorer Eyechem(Silicon Graphics，Inc.)

Univision(Cray Research)

Molscript(Uppsala University)

Chem-3 D(Cambridge Scientific)

Chain(Baylor College of Medicine)

O(Uppsala University)

GRASP(Columbia University)

X-Plor

(Molecular Simulations，Inc.；Yale Univ.)

Spartan(Wavefunction，Inc.)

Catalyst(Molecular Simulations，Inc.)

Molcadd(Tripos，Inc.)

VMD(Univ.of Illinois/Beckman Institute)

Sculpt(Interactive Simulations，Inc.)

Procheck(Brookhaven Nat′l Laboratory)

DGEOM(QCPE)

RE_VIEW(Brunel University)

Modeller(Birbeck Col.，Univ.of London)

Xmol(Minnesota Supercomputing Center)

Protein Expert(Cambridge Scientific)

HyperChem(Hypercube)

MD Display(University of Washington)

PKB

(Nat′l Center for Biotech.Info.，NIH)

ChemX(Chemical Design，Ltd.)

Cameleon(Oxford Molecular，Inc.)

Iditis(Oxford Molecular，Inc.)

为了保存，转移和使用利用本发明晶体物质结构坐标的程序，提供机器可读存储介质，其包含编码有机器可读数据的数据存储物质，其当利用编程有用于使用所述数据的指令的机器，例如加载有如上所述的一或多个程序的计算机时，能显示本文所述任何分子和分子复合体的图形的三维表示。机器可读存储介质包含数据存储物质，其包括常规计算机硬盘，软盘，DAT带，CD-ROM，和其它磁性介质，磁-光学介质，光学介质，可光读介质和也可适用于计算机应用的其它介质。

更优选能显示分子和分子复合体三维图像的机器可读数据存储介质，所述分子或分子复合体由MASP-2的多肽的结构坐标限定，例如表3所示坐标+/-自其氨基酸保守骨架原子的标准差不超过1.5_。本发明该方面的示例性实施方案是常规3.5″盘，DAT盘或编码有数据组的硬盘，优选为PDB模式，包含表3的坐标。图1显示所述多肽的三维打印图像。

另一实施方案中，所述机器可读数据存储介质包含编码有第一组机器可读数据的数据存储材料，所述第一组数据包含表3或表4所示结构坐标的Fourier转化(或其衍生物)，并且当利用编码有利用所述数据的指令的机器时，可与第二组包含分子或分子复合体的X线衍射模式的机器可读数据结合以测定至少部分对应第二组机器可读数据的结构坐标。

所述系统可利用包括计算机，其含有中心处理元件(″CPU″)，工作存储器可为例如RAM(随机-存取存储器)或“核心”存储器，大量存储存储器(诸如一或多个盘驱动器或CD-ROM驱动器)，一或多个阴极射线管(″CRT″)显示终端，一或多个键盘，一或多个输入线(IP)，和一或多个输出线(OP)，所有这些通过常规双向系统总线相连。

通过输入线连接于计算机的输入硬件可以多种方法操作。本发明的机器可读数据可通过利用由电话线或专用数据线连接的一或多个调制-调解器来输入。可选或此外，所述输入硬件可包括CD-ROM驱动器或盘驱动器。与CRT终端显示器相连的键盘也可用作输入工具。

通过输出线连接于计算机的输出硬件，可类似通过常规装置运行。例如，输出硬件可包括CRT终端显示器用于利用程序诸如本文所述的QUANTA显示本发明蛋白(或其一部分)的图像。输出硬件也可包括打印机，使得硬拷贝输出可产生，或包括盘驱动器以保存以后使用的系统输出。

操作中，CPU与各种输入和输出驱动器的用途相匹配，与来自大容量存贮器的数据存取和自工作存储器的来回存取(access to and from workingmemory)相匹配，并测定数据加工步骤的顺序。所述程序的实例在上文描述。适于该目的的算法也在程序诸如Cast-3D(Chemical Abstracts Service)，3DBUnity(Tripos，Inc.)，Quest-3D(Cambridge Crystallographic Data Center)，和MACCS/ISIS-3D(Molecular Design Limited)中执行。这些几何学搜索可通过立体搜索增强，其中结合位点的大小和形状需要用于清除(weed-out)具有抑制性大小的击中(hit)。可用于同步化用于FRAP的FRB的搜索中的几何学和空间要求包括CAVEAT(P.Bartlett，University of California，Berkeley)，HOOK(MSI)，ALADDIN(Daylight Software)和DOCK( http：//www.cmpharm.ucsf.edu/kuntz-/kuntz.html以及本文引用的文献)。所有这些搜索方案可与现存集合数据库Cambridge Structural Database相连接，或可得自化学品供应商的可得化学数据库联用。

鉴定能与MASP-2的多肽反应的化合物的方法的一个非限制性实例见实施例5。

本发明的一个实施方案中，所述方法涉及鉴定可能与MASP-2或其片段相互作用的多种化合物的方法，例如所述方法可包括鉴定可能与MASP-2或其片段相互作用的化合物的子文库。这可利用任何常规方法进行。例如，所有可能的组合文库成员可根据可得试剂和确定的合成化学首先进行编号。各个成员可随后分别对接入MASP-2的多肽的结合位点。最后，最佳子文库可基于它们的对接分数和/或多样性措施的分级被选用于合成。快速文库编号的软件已经开发，包括例如Sybyl中的CombiLibMaker，Cerius2中的Analog Builder，以及MOE(MOE Software，Chemical Computing Group，1010 Sherbrooke Street W.，Suite 910，Montreal，Canada H3A 2R7)中可得的QuaSAR-CombiGen模块。大多数这些程序可利用基于片段的或基于反应的方案轻易产生含有上百万种化合物的组合文库的所有2D或3D结构。这些软件包中的其它工具也可用于降低对接前实际文库的大小。例如，通过CombiLibMaker编号的文库可随后利用各种方法(可得自Sybyl)分析，以提供适当取样化学空间的子文库。QuaSAR-CombiDesign是可得自MOE的另一种组合文库设计工具，其提供产生组合文库的非编号方法，并可例如利用统计学取样技术在文库产生过程中检测5种过滤物的规则(rule of fivefilters)，产生具有使用者定义的性质范围的较小的子文库。原则上，文库产生之后的对接步骤可利用任何可得对接程序例如DOCK或FlexX_进行，而多样性选择可例如利用得自Daylight，Tripos(diverse solutions)，或BCI的软件或通过例如Diller and Merz所述的高通量对接进行。

另一实施例中，可采用‘divide-and-conquer’方法。利用该策略，组合文库中的所有产物结构可被认为具有可变组分，其通过共同模板上的一或多个位点连接。所述模板首先对接入结合位点，仅保存得分最高的构型(top-scoring poses)用于进一步考虑。单个组分可随后独立连接于模板的每个构型，以评估哪些组分可较好拟合入结合位点。仅仅得分最高的组分的那些组合被进一步考虑并进行评分以鉴定可实际上良好对接入结合位点的完整产品结构。这可通过适宜软件的辅助进行，所述软件如PRO SELECT，CombiBUILD，CombiDOCK，DREAM++and FlexX_。

一个实施方案中，本发明所述的方法包括应用利用活性位点图谱获得的药效团。本文术语“活性位点”意图描述负责与化合物而非催化活性位点的相互作用的位点。所述方法可例如是包含产生多重、有希望的、结构各异的受试化合物的计算方法。搜索多重结构系列可通过将蛋白质结构信息与组合文库设计利用适宜方法偶联来实现。例如“受体中的设计(design inreceptor)”法(Murrary et al.，1999)或下文所述方法可使用。用于负责多种蛋白质构象的方法例如Mason et al.，2000所述也可使用，包括从分子动态刺激产生动态药效团模型(例如Carlson et al.，2000所述)。用于利用分子片段描绘活性位点的试验和计算针式筛选法(needle screening approaches)也可使用，例如Boehm et al.，2000中所述。可用于描绘位点的任何适宜软件工具(例如GRID和SITEPOINT)可以用于本发明。也可使用用于产生位点图谱的MCSS技术。

适宜方法可例如包括产生来自蛋白质结构的活性位点图谱。随后所有可能2-，3-和4-点药效团可从位点图谱计算并作为位串(标记)编码，这些药效团定义了通过利用信息文库设计工具选出的化合物检测的空间。用于评估方法成功性的标准是在文库设计中选出的活性支架的数量，活性化合物的数量作为第二个标准。用于位点图谱产生的任何适宜算法可使用，例如对于每个活性位点产生10-80个特征位置的算法。所述方法的实例描述于实施例4。

本发明的一个实施方案中，所述方法包括制备pdbqs(protein data bank)形式并具有部分电荷和拯救参数(salvation parameters)的MASP-2的3D结构。所述部分电荷可利用适宜计算机程序诸如SYBYL 6.3和例如theMulliken群体分析法赋予MASP-2多肽X-ray晶体结构。由此制备的结构可利用适宜记录法(script)诸如mol2topdbq转化为pdbq形式。拯救参数可利用任何适宜计算机程序诸如ADDSOL赋予MASP-2。

本发明的一个实施方案中，所述方法还包括制备可能与pdbqs形式的MASP-2的化合物反应和/或抑制pdbqs形式的MASP-2的化合物的pdbq形式的结构。电荷可利用例如Mulliken群体分析法赋予。

为对接可能与MASP-2反应和/或抑制MASP-2的化合物，可使用任何算法诸如Lamarckian Genetic Algorithm。本领域技术人员可轻易设定用于所述算法的参数。基于停靠文件，可计算数种性质。优选至少一种以下性质得以测定：估计的自由能结合，估计的Ki或终停靠能。通常，与MASP-2反应和/或抑制MASP-2的化合物具有低估计的自由能。优选，所述估计的Ki优选低于2.0×10^-6M，更优选低于1.0×10^-6M，更优选低于5×10^-7M，更优选低于1.0×10^-7M，更优选低于5×10^-8M，更优选低于1.0×10^-8，更优选低于5×109^-9，诸如低于3.0×10^-9M，例如低于2×10^-9M。通常MASP-2抑制物的估计的Ki优选低于2.0×10^-6M，更优选低于1.0×10^-6M，更优选低于5×10^-7M，更优选低于1.0×10^-7M，更优选低于5×10^-8更优选低于1.0×10^-8，更优选低于5×10^-9M，诸如低于3.0×10^-9M，例如低于2×10^-9M。

MASP-2活性的抑制物

本发明的一个优选实施方案设计鉴定MASP-2活性抑制物的方法。能与MASP-2的具体底物结合位点反应的化合物是MASP-2活性的可能抑制物。因此，本发明的目的是鉴定能与MASP-2底物结合位点相互作用的化合物。这可例如利用上文所述任何方法进行。

MASP-2的天然底物包括MASP-2本身(自主活化)，C2和C4。假性底物包括C1抑制物。因此，所述底物结合位点可以选自C4结合位点，C2结合位点，MASP-2结合位点C1抑制物结合位点组成的组。优选，所述底物结合位点选自C4结合位点，C2结合位点和MASP-2结合位点组成的组。更优选，所述底物结合位点选自C4结合位点和C2结合位点组成的组。

如果所述底物结合位点是C2结合位点，则优选MASP-2活性是C2裂解。如果所述底物结合位点是C4结合位点，则优选MASP-2活性是C4裂解.如果所述底物结合位点是MASP-2结合位点，则优选MASP-2活性是MASP-2自主活化。

C2，C4，MASP-2和C1抑制物在人MASP-2上的底物结合位点的详细描述见实施例1和图3。

与MASP-2特异性反应的化合物

本发明的一个实施方案涉及鉴定与MASP-2特异性反应的化合物。具体地，本发明涉及MASP-2活性的具体调节物的鉴定

本发明一个实施方案中，所述化合物是MASP-2活性的特异性抑制物。因此，优选所述化合物可抑制MASP-2蛋白酶活性，而不是其它丝氨酸蛋白酶的蛋白酶活性。具体地，优选所述化合物可抑制MASP-2的蛋白酶活性，而不是相关丝氨酸蛋白酶C1r和C1s的活性。

本发明的方法由此可包括利用计算机辅助的手段计算化合物是否与C1r和/或C1s反应。这也可以如本发明上文所述与能与MASP-2片段泛音的化合物相关的内容进行。可随后选出通过in silico方法鉴定为能与MASP-2或其片段反应而不与C1r和/或C1s反应的化合物。

所述特异性可利用例如体外方法证实，诸如结合试验，竞争测定法或抑制/活化测定法。

本发明的一个实施方案因此涉及方法，其包括以下步骤

ii)在计算机上执行指令用于从第二种多肽的晶体的结构坐标产生所述第二种多肽的三维图像，使得该计算机将包含所述第二种多肽的分子模型的结构坐标的计算机可读数据载入其记忆；

iii)从所述分子模型计算一或多种可能的分子复合体，其可通过将所述第二种多肽与一或多种选出的受试化合物相连来形成；

iv)产生输出数据，指示反应的程度；

v)选择不能与所述第二种多肽反应的化合物。

优选，所述第二种多肽包含C1r，C1s，MASP-1或其片段，其中所述片段优选包含丝氨酸蛋白酶结构域。

与MASP-2反应的化合物的优化

一旦能与MASP-2反应的化合物利用上述方法得以鉴定，所述化合物可重新设计以具有增强的反应。具体地，如果化合物是MASP-2活性抑制物，那么更为有效或特异性更高的抑制物可利用所述化合物作为起点设计。

本发明的一个实施方案中，MASP-2的多肽与所述化合物之间的共同晶体也可制备。所述共同晶体可例如通过本文所述制备晶体的任何方法制备。

所述晶体的结构可测定，例如利用任何上述用于检测MASP-2的多肽的结构的方法。

一旦知道所述共同晶体的结构，能与所述多肽反应的新化合物可利用源自所述结构的信息进行设计。

化合物

所述化合物可与MASP-2或其片段反应，并可选调节MASP-2的活性，其可为任何适宜化学实体。例如所述化合物可为小有机分子，肽，肽模拟物，核酸等。

本发明的一个实施方案中，所述化合物可为组合文库的成分，诸如小有机分子的组合文库。可能所述化合物是真正的组合文库的组分。

可评价通过上文所述方法设计、选择和/或优化的化合物与MASP-2的多肽反应的能力，利用各种方法，其中许多是本领域已知的。

例如，可评估化合物作为结合天然底物诸如C2，C4或MASP-2的竞争性抑制物的活性。竞争性抑制可利用任何本领域已知可得技术测定。

也可利用常规结合测定法评估所述化合物与MASP-2多肽或其片段的反应。所述测定法例如涉及化合物在固相支持物上的固定，在存在MASP-2下的保温，利用例如MASP-2的特异性抗体洗涤以及检测固定的MASP-2的存在/缺失。然而，任何其他适宜方法也可使用。

可进一步评估所述化合物对MASP-2活性的调节。MASP-2活性的测定法如上所述。

能与MASP-2反应的化合物可适于多种目的。MASP-2活性的调节物可例如用于治疗特征在于MBLectin途径的异常活性的临床疾病。例如，MASP-2活性的抑制物可用于治疗慢性炎性疾病或以例如由于凋亡或坏死造成的大量细胞损失为特征的临床疾病。

MASP-2抑制物的非限制性实例包括NPGB，亮肽素，APMSF，PMSF，Pefabloc-SC或苯甲脒。

实施例

实施例1

表达和结构测定

人重组MASP-2 CCP2-SP片段利用pET-17b表达载体表达于大肠杆菌BL-21 DE3细胞中。该重组构建体(328氨基酸)在N末端另外含有Ala-Ser-Met-Thr四肽，其后是MASP-2的Ile363残基。该片段的纯化和功能定性在其它文献中描述(Ambrus et al.，2003)。由于人MASP-2不含有糖基化侧链，大肠杆菌细胞中产生的重组蛋白与分离自天然来源的相同。

该结构通过分子置换确定，并限于2.25_的分辨率(resolution)(表I)。在精制的最后，R_work和R_free因子分别为0.174和0.224。不对称单元含有两个分子(表示为分子A和B)，其构像稍有不同(图1A)。97％的残基可在电子密度图谱中建立。所有残基都在Ramachandran绘图的最为有利的(458)和其它有利(67)区域中，但除外分子A的残基405和分子B的残基389，其位于较大的(generously)允许的位置。

除了439-441区域和一些表面侧链，两种分子SP结构域的构像非常相似。非晶体学限定用于SP结构域的其它部分。在CCP2模块环构像以及两种分子的结构域间接头中存在较小的差异。都存在于结晶介质中的甘油分子和钠离子在电子密度图谱中构建。将CCP和SP结构域与在结构上相似的C1r(Budayova-Spano et al.，2002b)和C1s(Gaboriaud et al.，2000)的结构域之间的比较见图1B和C。

表I.精制和模型几何学统计

蛋白质残基	636
蛋白质残基	636	蛋白质原子	4826
水分子/离子/甘油分子	362/2 Na⁺/7	蛋白质原子	4826
水分子/离子/甘油分子	362/2 Na⁺/7	分辨率范围(_)	35.8-2.23
R_work/观察数目	0.174/25665	分辨率范围(_)	35.8-2.23
R_work/观察数目	0.174/25665	R_free/观察数目	0.224/1356
双重构象中的残基	3^a	R_free/观察数目	0.224/1356
双重构象中的残基	3^a	侧链杂乱的残基	20^b
杂乱的残基	15^c	侧链杂乱的残基	20^b
杂乱的残基	15^c	R.m.s.键长(_)	0.006
R.m.s.键角(°)	0.904	R.m.s.键长(_)	0.006
R.m.s.键角(°)	0.904	R.m.s.总体平面(_)	0.003

a分子A：Asp491，Glu603，分子B：Val543

b分子A：Val364，Glu398，Lys409，Ser421，Lys422，Thr440，Lys556，分子B：Ile380，Val385，Tyr388，Lys389，Ala390，Val391，Lys409，Phe417，Ser421，Lys422，Lys425，Lys556，Arg609

c分子A：Ala358-Met361，of the N-末端四肽，Thr441-Arg444，分子B：N-末端四肽残基(Ala35-Thr362)Ile363-Asp365，Glu41 3-Asp415，Gly442-Arg444

CCP2模块的结构

具有六条β-链的CCP2模块的总体构像(B1-B6，图1B)非常类似于见于C1s(Gaboriaud et al.，2000)和C1r(Budayova-Spano et al.，2002a，b)催化片段结构中的CCP2的构像。CCP2模块的最高B-因子是距离结构域间接头最远的那些因子。分子B的N末端片段和环B4-B5是无序的。分子A和B的CCP2的Cα原子的总体差异(r.m.s.d. 0.64_)与分子A和C1s的相当(Gaboriaud et al.，2000)，为0.79_。这对应MASP-2中CCP2的高柔性水平。C1r结构(Budayova-Spano et al.，2002a，b)的分辨率低得多，这解释了它们稍高的总体差异(C1r-C1r的r.m.s.d.值，MASP-2-C1r和C1s-C1r对范围分别为0.55-0.90_，0.84-1.07_，和0.71-1.08_)。图1B显示分子A，C1s和C1r活性形式的CCP2模块，其中β-链B1，B2和B4叠合。分子AMASP-2蛋白链的N-末端是CCP1-CCP2接头的一部分。其与C1r CCP1-CCP2-SP片段结构中检测到的具有相似的构像(Budayova-Spano et al.，2002a)，支持了以前的推定(Feinberg et al.，2003)，即CCP1-CCP2连接类似于C1r的所述连接。

CCP2模块的结构与C1r和C1s的所述模块的结构的比较突出了三个主要差异区。在环B1-B2(residues 379-385)中，[MASP-2编号用于CCP2模块]C1s具有缺失。该环的构像在MASP-2和C1r中相似。环B3-B4(残基404-409)在C1r和C1s中均无序。在MASP-2中，其较短并且其构像通过Ash406和Glu424侧链之间的氢键稳定。三个主要差异区域是环B4-B5(区域420-424)，其在三个分子中的长度相同。该环在MASP-2中的构像通过Asn406-Glu424氢键以及Glu424和Lys422侧链之间的弱静电相互作用稳定。

MASP-2的CCP2模块在C1r和C1s上的叠合揭示环区域B2-B3(残基397-401)和铰链区残基430-433的位置中的较小差异。这些差异对于与C1r和C1s的情况相比，对于MASP-2而言观察到的明显不同的相对模块方向有贡献。

MASP-2分子A和B之间的主要差异对应CCP2模块的两个末端的轻微弯曲：距离CCP2/SP界面较远的区域(环B1-B2，B3-B4和B5-B6)在大约CCP2模块长轴上扭曲，而接近该界面的区域(环B2-B3 and B3-B4)在大约与该模块垂直的轴上扭曲。B1-B2，B2-B3，B3-B4和B5-B6环的最大Cα原子位移分别是1.7_，1.4_1.3_和2.3_。

半柔性CCP2/SP界面

MASP-2分子A和B与C1r和C1s的比较暴露了形成CCP2/SP界面的CCP2模块区域的构像中的不同。

在CCP2/SP界面的C1r的不同片段和突变结构之间也观察到有限的柔性(Budayova-Spano et al.，2002b)。但是，氢键和范德华接触的网络在酶原C1rCCP1-CCP2-SP，活性形式的C1r CCP2-SP和C1s之间非常相似。令人吃惊地，在两种MASP-2分子中，都发现了界面作用的新模式接触。此外，我们还观察到其它界面相互作用导致分子A和B的不同结构域方向(图2A)。C1rCCP2-SP酶原形式被认为是C1s和MASP-2结构之间的中间构像，具有一些氢键以及两种类型的接触，但具有延长的原子间距。

应注意，MASP-2两种构像变体的存在可能不是晶体介质中差异导致的人工现象，因为它们存在相同的晶体结构中。MASP-2分子中的结构域方向可能也不受晶体接触而发生偏移，因为CCP2模块在晶体网络中较松弛地连接。这提示溶液中可能出现的结构域间柔性，以及其可对应完成不同功能。

对于位于MASP-2同源结构中的CCP2模块C1r和C1s而言，界面间区域的差异导致SP结构域的大的位移。CCP2结构的比对揭示C1s的催化残基Ser633(c195)[糜蛋白酶编号将SP结构域标记为‘c’]Cα原子相对于MASP-2(距离为11.1_和12.2_)和C1r(距离为9.1_-13.9_)的所述原子的较大位移。这些差异明显大于C1r和C1s之间发现的距离(最大距离6.6_)(图2A)。CCP2模块长轴的模块与C1s结构中的模块界面的SP表面垂直并在C1r中稍微弯曲。反之，CCP2和SP表面的主轴之间的角度对于MASP-2分子A和B分别仅为55°和48°。但是，界面的埋藏的可接近表面的面积对于以下分子而言是相似的：对于MASP-2分子A和B，C1s，以及C1r结构而言分别为722_²，748_²，751_²，和578_²-667_²(Gaboriaud et al.，2000；Budayova-Spano et al.，2002a，b)。

尽管界面的许多作用型残基对应针对C1r和C1s描述的那些残基，也存在非常明显的差异。MASP-2的结构域间界面的具体结构与C1s的比较显示于图2B，C和D。B3-B4环的保守残基Phe400和Tyr401在SP结构域的疏水CCP2-SP接头和541-549(c111-c119)和474-475(c48-c49)区域之间连接，如在C1r和C1s中所见。但MASP-2的接头残基429-434内的轻微弯曲导致Phe400的位移：其侧链位于Leu544(c114)Asn545(c115)之上，而相应酪氨酸位于C1s的二肽部分之上随后对齐(with next register)(Gly527 c115和Pro528c116)。由于铰链区弯曲，Tyr401侧链与Ile544(c114)骨架NH非常远，shideC1s和C1r结构中发现的氢键没有建立。分子B的Tyr401羟基通过水分子(W325)连接于Val542(c112)羰基氧，而分子A的则进一步旋转并能够通过具有Asp475(c49)侧链的氢键稳定。在两种分子中，结构域间氢键由Lys541(c111)和Ser374侧链形成，其不见于C1s和C1r结构。

对于MASP-2结构的两种变体，水分子的氢键网络稳定该界面。在两种分子中，甘油分子结合于Leu473(c47)，Tyr474(c48)，残基Glu431，Pro432，Cys434(c1)和550(c120)-552(c122)骨架原子的侧链形成的空腔中。该空腔在C1r和C1s中更为开放并且疏水性更高，因为Tyr474通过短侧链置换，Glu431被疏水残基置换。C1s中的相互作用区域中发现的五个脯氨酸中的三个在MASP-2中发生改变：Lys541(c111)，Ser546(c116)和Thr399(对于C1r仅有一个不同)。该区域的较低脯氨酸含量也可导致MASP-2中检测到的较高柔性。

对于MASP-2的CCP2/SP界面观察到的相对高柔性可具有重要的功能意义。根据外源凝集素途径启动酶复合体的目前的模型，与MBL分子结合的MASP-2的同源二聚体可激发补体级联(Chen and Wallis，2001；Wallis，2002)。MASP-2通过其N-末端CUB-EGF-CUB区域形成同源二聚体(Thielens et al.，2001)。与C1r和C1s不同，MASP-2和MASP-1不形成异源寡聚体，且MASP-2二聚体可直接结合MBL。很明显MASP-2的功能单位是同源二聚体形式。很明显MASP-2同源二聚体可形式所有由C1复合体中的C1s-C1r-C1r-C1s四聚体介导的功能(例如结合MBL，自发活化，裂解C4和C2)。C1r₂C1s₂四聚体具有高度柔性，这是其功能所需的(Arlaud et al.，1987；Tseng et al.，1997；L_rinczLQUincz et al.，2000)。理论上，MASP-2同源二聚体应至少和C1r₂C1s₂四聚体的柔性相同。但是，C1r₂C1s₂四聚体的铰链点是MASP-2二聚体的两倍，以产生相同的柔性。我们因此可推定，MASP-2的铰链区应允许比C1r和C1s的对应区域更大的构象运动。CCP2和SP结构之间的铰链弯曲可有助于自发活化过程中MASP-2的SP结构域的正确定位，条件是一个SP结构域的活性位点可与其他SP结构域的活性位点接触(Arg444-Ile445键)。自主活化后，SP结构域应位于二聚体外部以接近较大的蛋白质底物：C2和C4。MASP-2的CCP2/SP界面显示明显的结构可变性的事实与该假设一致。

SP结构域的结构

如糜蛋白酶丝氨酸蛋白酶家族的其他成员中，SP结构域由互相堆积的两个六条链的β-桶状(barrel)结构域组成，催化残基Ser633(c195)，His483(c57)和Asp532(c102)位于两个桶的连接处(图1C)。该结构显示活性构象中的催化装置的元件。两个MASP-2分子的SP结构域实际上在构象上等同，但除外活化肽和其他表面侧链的残基440和441(c10，c11)。仅仅裂解的活化肽的C末端残基是无序的，其对于活化的SP结构是常见的。

我们将MASP-2的结构叠合于C1r，C1s，丝氨酸蛋白酶的消化和凝固并比较表面环的结构特征(表II.)。令人吃惊地，一些表面环与凝血酶或胰蛋白酶的类似程度高于与C1r或C1s的类似程度。尽管MASP-2的功能类似C1r(一旦通过MBL/C1q识别靶表面就发生自主活化)和C1s(C2和C4裂解)构象，大部分表面环与这两者不同。

MASP-2，C1r和C1s的环A[我们使用Perona and Craik(1997)推荐的环命名法]位置相似，但它们的构象不同，尽管实际上MASP-2与C1r的环A长度相同。仅仅MASP-2显示前面的螺旋延伸到环B(残基485-496)的残基485-490(c59-c60d)。该片段的构象通过将His490(c60e)环与Tyr486(c60)和Lys489(c60c)侧链碳原子形成三明治样结构来稳定化。环B通过Gln488 Nε2(c60b)Leu463(c34)羰基氧氢键稳定环A，并通过Tyr486(c60)和His525(c96)侧链之间建立的堆积反应(stacking interaction)稳定环C。MASP-2的环D和E具有缺失。环D MASP-2和C1r位置相似，但构象不同

C1s中的环C明显长于C1r或MASP-2中的情况并限制对活性位点的接近。MASP-2中环2具有插入使得所述底物结合位点更狭窄，但是从其它侧面。环1和2形成底物特异性口袋的底和一个侧面，它们的构象与胰蛋白酶的非常相似。环3从N末端利用Pro 605(c170B)和Pro606(c170C)封闭结合沟。与此相反，C1r和C1s的环3较长(C1s的环3显示无序)并且它们都离开底物结合沟使得该沟比MASP-2中的更开放。

对于C1r CCP1-CCP2-SP二聚体结构，环区B和E的一些残基参与CCP1-SP相互作用中的分子间接触。MASP-2的对应环长度不同并且也位于构象中，表明与MBL-MASP-2复合体最新的模型(Feinberg et al.，2003)相反，对于酶原形式的C1r观察到的作用和二聚体形成方式不能直接转移到MASP-2。

MASP-2的底物特异性

MASP-2仅仅具有少数几个天然底物：酶原MASP-2，C2，C4，和假性底物C1抑制物，提示对于底物结合亚位点的接近受限。当所有底物具有P1[Schechter and Berger(1967)推荐的命名法]位置的Arg时，这些分子周围的残基的大小和极性不同，需要亚位点中的一些柔性(图3A)。与抑制物复合的糜蛋白酶家族的数个成员的晶体结构中发现底物结合位点的共同特征被广泛研究。我们将所述结构叠合到MASP-2 SP结构域之上以定性可能的亚位点(图3B)。我们发现S1位点比C1r和C1s的更深。在MASP-2中，S2′和S3亚位点可建立与底物的接触，而S2和S1’亚位点比C1r和C1s的更为暴露。尽管MASP-2与C1s共享底物，其大部分底物结合亚位点显示差异。

如上所述，环1和2的构象类似于胰蛋白酶的那些，形成比C1r和C1s更深的口袋。与C1s相反但与C1r相似，对底物结合口袋的接近不受任何无序侧链的影响，这是由于Arg630(c192)侧链碳原子通过与Leu575(c143)的疏水接触稳定。在晶体结构中，甘油分子结合于S1口袋的入口处，位于口袋底部的钠离子通过水分子和Ser657(c217)Oγ分别连接于Asp627(c189)和Glu662(c221)的附近酸性侧链。

钠离子结合于环2的657-662(c217-c222)片段形成的口袋中，其包括一个插入该区域的残基并具有与糜蛋白酶相似的构象。钠离子以及甘油分子必须在底物结合时从S1位点解离，这是由于甘油和水分子与同P1精氨酸残基重叠的钠离子配位。Asp627(c189)，S1特异性的一级决定物是MASP-2晶体结构中的经典构象。

与结合的肽的N-末端部分相结合的沟与C1r和C1s的相比较浅，Phe529(c99)位于类似C1r和C1s的情况的位置。P2残基的侧链部分暴露于溶剂，而该位点在C1s中由环C包埋。水介导的氢键可通过环C的P2 Gln侧链和Tyr523(c94)以及Gln526(c96a)侧链确定。在S3亚位点中，疏水反应可通过环2的Met658(c218)以及底物的无极性P3侧链确定。P3和残基Gly656(c216)形成的氢键稳定结合的肽的骨架。

在离开基团侧，对亚位点的接近更为受限。S1′位点是开放的，与C1r和C1s中的一样。C4和C1抑制物的小P1′侧链可接触Thr466(c37)，而C2的P1′Lys侧链可形成与环B的Glu487(c60a)的盐桥。P2′侧链是疏水的或芳香族的，并结合于Gly631(c193)与Arg630(c192)，Leu581(c148)，Leu575(c143)和Thr467(c41)的侧链碳原子形成的疏水口袋中。该亚位点在C1r和C1s中也是疏水口袋，但其通过三种酶之间的不同残基建立。

Na⁺-可诱导性

与Na⁺结合时多种止血蛋白酶的增强的活性以前推荐通过位置225中的残基测定(Dang and Di Cera，1996)。该残基在上述蛋白质中是Phe或Tyr，而其在消化性蛋白酶中是Pro，防止c224糖基氧位于适合Na⁺-结合的位置中。凝血酶的另一特征是通过水通道连接于Na⁺-位点的S1位点的开放底部。尽管对于C1s和C1r该残基是Tyr，因为环2的空间封闭Na⁺-结合不能确定，其在C1s和C1r中分别具有三或两残基的缺失。此外，对于这两种酶，S1位点是闭合的。

MASP-2是具有位于位置c225的Tyr的酶的另一例子。其环2区域具有一个残基的插入。我们的体外试验证实MASP-2不是Na⁺-活化的酶(数据未显示)。MASP-2的结构与试验数据一致，这是由于其具有闭合的S1位点，环2的661-667(c221A-c226)片段的骨架构像实际上与胰蛋白酶的相似。MASP-2中，Gln665(c224)的羰基氧也位于类似胰蛋白酶中的位置，并与具有酪氨酸c225的酶包括C1r和C1s中的情况不同。

665-666(c224-c225)肽键的胰蛋白酶-样构像可通过以下事实来解释：环1在MASP-2和胰蛋白酶中长度相同，并在MASP-2和胰蛋白酶的环1和环2之间中形成相似的骨架-骨架反应。620-664(c185-c223)和23-662(c188-c221)氢键使得残基Gln665(c224)的羰基基团与Leu621(c185)的羰基基团接近，并强迫其保持以前在含c225脯氨酸的酶家族中发现的位置。这提示，在Na⁺结合位点的形成中，不仅环2的长度，环1也比c225残基的性质更为重要。

C4d上可能的结合位点

我们以前关于MASP-2的功能活性催化片段的研究揭示，虽然C2裂解由MASP-2的SP结构域介导，MASP-2 CCP2-SP片段的C4裂解效率与单独的SP结构域相比大大提高(Ambrus et al.，2003)。CCP2模块在C4裂解中的必要作用也针对C1s确定(Rossi et al.，1998)。很可能除了MASP-2和C1s的SP结构域上的结合位点，CCP2模块还有其他C4结合位点。基于同源结构复合体，我们给出了C4与MASP-2/C1s CCP2相互作用的模型。

CCP模块在补体系统中广泛分布，其在调整和调节补体组分的作用中有重要作用。但是，对于它们的结合位点以及它们的作用方式的结构细节知之甚少。对于C4，其它蛋白的CCP模块的结合位点是未知的。考虑到C4和C3之间的高度同源性，C4d上有可能存在CCP-模块结合位点，其类似于C3d。具有结合于其表面的补体受体2(CR2)的CCP1模块的C3d的结构，以及C4d的结构已经公开(Szakonyi et al.，2001，van den Elsen et al.，2002)。C3d-CR2复合体可作为模拟C4d结合MASP-2/C1s的CCP2模块的起点。在C3d-CR2复合体中，C3d链的N-和C-末端与C3d的CCP结合表面相对。结果，C4d的对应表面上的CCP结合允许C4和MASP-2/C1s之间形成复合体而没有这些分子的其他结构域的空间冲突。

尽管C3d和C4d之间的同源性，C3d的CCP结合反应不能直接转移到C4d，这是由于两个事实：(1.)C3d的主要链氢键和H5螺旋的羧化物末端的加帽(capping)不能被转移，其原因是C3d和C4d相应螺旋的不同长度导致的H5螺旋的主要链原子位置中的位移和羧基末端的差异(van den Elsen et al.，2002)。(2.)在反应的CCP模块侧，C1s和MASP-2的B1-B2环的长度以及构像与CR2的不同，并且相互之间也不同。但是，对于C3d和C4d，它们的推定的CCP模块结合表面的不同电荷分布(即C3d的表面是酸性，而C4的表面是中性)被认为是它们的特异性中的重要因素(van den Elsen et al.，2002)。利用与C4的表面互补的保守的电荷分布定位MASP-2和C1s CCP2表面上的区域可为鉴定结合表面的良好起点，但是仍需进一步研究作为证据。

MASP-2和C1s的CCP2结构域的比较揭示5种带电残基所有都在N末端区域内，其中四个在B1β-链和短B2-B3环中，形成具有与C4d的表面互补的静电荷的区域(图4A，B和C)。因此在C4与MASP-2/C1s的复合体中，这些区域可控制分子的比对。可能的接触区为：C4d的Arg1041/Lys1080与MASP-2的Glu378(C1s的Glu356)，C4d的Asp1044/Asp1054/Glu1083与MASP-2的Arg376(C1s的Lys354)，以及C4d的Arg1148/Lys1155与MASP-2的G1u397/G1u398(C1s的Glu372/Glu373)。这些侧链的高度柔性促进表面形状的微调并也可证实空间拟合。MASP-2和C1s的C4d结合的推荐模型显示于图4C和D。

功能含义

MASP-2在补体外源凝集素途径的启动中起中心作用，这是由于其可自主活化并裂解C4和C2-C3转化酶复合体的组分。在补体活化的经典途径中，这些蛋白裂解活性通过两种不同蛋白酶介导：C1r和C1s。该实验中描述的结构提供对外源凝集素途径的蛋白酶催化机制的内在认识，所述蛋白酶是内在免疫力的组分。

MASP-2二聚体结合MBL的胶原样茎，和C1r₂C1s₂四聚体一样结合C1复合体中的C1q。这些结合的性质和超分子复合体的结构应类似，这是由于体外实验中MBL可结合并也可活化C1r₂C1s₂四聚体(Ohta et al.，1990；Lu etal.，1990)MBL目前的模型-MASP-2(Feinberg et al.，2003)和C1(Budayova-Spano et al.，2002b)复合体在过程中活化过程中推定(assume)识别分子以及结合的丝氨酸蛋白酶具有极大柔性。我们目前的研究强化了这些观点：我们在MASP-2的CCP2/SP界面观察到明显的柔性。在C1s的情况中，CCP2模块通过富含脯氨酸和酪氨酸的疏水侧链框架紧密固定在SP模块的表面。在C1r的情况中，相应的反应较弱，并检测到柔性。对于MASP-2的情况，CCP2/SP界面不仅柔软，而且不同构型通过不同反应稳定化。自发活化过程中，反应性SP结构域的精确定位是有效裂解所需的。C1r和MASP-2在CCP2/SP界面显示柔性表明CCP2和SP结构域的相对位置中的改变可能是自发活化过程中的重要因素。

在C1r₂C1s₂四聚体中，C1r分子通过催化CCP1-CCP2-SP区连接在一起。其含义是两种C1r单体的SP结构域在C1复合体的其余状态中相对接近。但是MASP-2分子通过N-末端CUB1-EGF-CUB2区的相互作用形成二聚体，因此MASP-2的SP结构位于所述二聚体的对端。因此可能明显的柔性是自主活化过程中将MASP-2的远端SP结构域置于正确位置所需的。C2和C4底物的随后裂解也需要MASP-2二聚体的明显构象移动，具体是SP结构域。自发活化过程中非常接近的SP结构域应为分离的以接近大的蛋白底物。换言之，MASP-2二聚体的闭合环状构象应转化成开放形式。类似的构象改变应发生于C1复合体中，其中C1s负责C4和C2裂解。类似于MASP-2二聚体，C1s的结构域位于C1r₂C1s₂四聚体的两对端。然而，我们应当考虑所属四聚体是二聚体的大约两倍，并且铰链点的柔性受限可导致明显的构象改变。因此我们推定MASP-2的其他潜在铰链点(例如CCP1-CCP2和CUB2-CCP1连接)比C1s的对应区域更柔软并可能比C1r的对应区域更为柔软。

如我们前面证实的那样，MASP-2的底物特异性由CCP2和SP结构域决定(Ambrus et al.，2003)。MASP-2和C1s的SP结构域含有所有有效的C2结合与裂解所需的接触位点，并且其与C1抑制物形成共价复合体。因此，令人吃惊的是，决定S1和亚位点偏好的大部分表面环显示在两个功能紧密相关的、高度特异性SP结构域中的不同构象。可能相同的底物特异性可通过不同酶-底物反应认识到。利用我们的MASP-2结构，可能设计合成抑制物，其特异性阻断不需要的外源凝集素途径的生理活化(例如，在缺血-再灌注的情况下)，而不干扰其他活化途径。

对于C4裂解，CCP2模块的存在对于有效反应而言是必要的。我们可推定CCP2模块含有其他C4底物结合位点。该推定通过动力学数据支持，这是由于CCP2模块的存在导致K_M值降低，其表明底物的强结合(Ambrus etal.，2003)。该现象与C1r(Kardos et al.，2001)和C1s(Rossi et al.，1998)非常相似，其中CCP模块也强有力地影响分子的催化性质。模拟研究(基于中子分散测定(neutron scattering measurements))提示C4在溶液中具有两-结构域结构(two-domain structure)(Perkins et al.，1990)。所述两个结构域对应C4c和C4d片段，其可在C4b的因子I裂解之后分离。可能两个结构域都含有含CCP模块蛋白质的结合位点。将CCP模块添加于C1s和MASP-2的SP结构域导致的C4裂解的催化效率的剧烈增加提示酶和底物之间的非常强的相互作用。

但是，我们不排除CCP模块建立与C4c和C4d结构域的接触的可能性，在本研究中，我们利用C4d片段的结构(van den Elsen et al.，2002)以及MASP-2和C1s的CCP2模块的结构来模拟C4和所述蛋白酶之间的相互作用。MASP-2的SP结构域的表面主要通过环形成，显示长度与构象高度可变，CCP2模块的表面在结构上保守的二级元件(即β-²□链)。我们由此可推定，CCP2模块上的潜在C4结合位点应具有相似的相互作用模式。位点特异的诱变研究将探索所述结合位点的侧链在CCP2-C4相互作用中的作用。

表II.与其他SP结构域的同源片段明显不同(D＞1.5_)的表面片段

(A)总体结构
(A)总体结构									(PDB id)	C1s(1elv)	C1r(1md8)	胰蛋白酶(1avw)	糜蛋白酶(1ab9)	凝血酶(1k21)	蛋白C(1aut)	因子Xa(1fax)	因子IXa(1pfx)

Nb.CαR.m.s.d.	2030.92_		2181.08_	2061.01_	2031.01_		2140.93_	2031.03_	1991.04_	2021.19_
Nb.CαR.m.s.d.	2030.92_		2181.08_	2061.01_	2031.01_		2140.93_	2031.03_	1991.04_	2021.19_	(B)MASP-2的表面片段
MASP-2编号		糜蛋白酶编号		环标记^a		变异类型		构象类似于			(B)MASP-2的表面片段
MASP-2编号		糜蛋白酶编号		环标记^a		变异类型		构象类似于			436-441451-454463-469485-496503-511524-528555-562575-582594-611621-625641-645657-665	3-822-2534-4359-6572-8295-98125-130143-152164-175185-187203-205217-224	act.肽^bABECD312	可变缺失插入缺失插入插入缺失主要插入插入插入插入	C1r，消化性，凝血酶凝血酶胰蛋白酶，糜蛋白酶C1r，凝血酶胰蛋白酶，凝血酶，因子Xa，IXa

a Perona and Craik(1997)定义的环标记。

b活化肽

材料和方法

结晶与数据收集

为了获得高质量晶体，须进行大量实验，包括检测生长型晶体的数百种不同条件。

所述不同条件包括检测不同浓度的PEG 6000和PEG 3500(10％-30％)，不同温度(20°(C和4°(C)，不同pH值(pH7-pH8.5，增幅0.2)。其他因子诸如NaCl和甘油也不同。此外，蛋白浓度和悬滴体积是最佳的。

较好的衍射型晶体在将等体积储存缓冲液(30％PEG 6000，0.1M NaCl，10％glycerol，0.1M Tris pH7.5)和蛋白溶液(0.8mg/ml蛋白浓度，140mMNaCl，20mM Tris pH7.4)混合时在20°(C生长。

晶体通过悬滴法在20C生长。晶体通过混合2μ(1储存液和2μ(1蛋白溶液获得。储存液含有30％PEG 6000，0.1M NaCl，10％甘油和0.1M Tris-HCl pH7.5。所述蛋白溶液含有0.8mg/ml活性形式的MASP2 CCP2-SP(Ambrus et al.，2003)，140mM NaCl和20mM Tris/HCl pH7.4。同步加速器数据在LURE于DW32 beamline上，以及在SPring-8于BL41XU beamline上收集。由于比例(scaling)问题，前一数据组用于结构测定。处理数据并利用Mosflm(Leslie，1993)以及CollaboratiVe Computing Project 4(CCP4，1994)的程序SCALA(Evans，1993)和TRUNCATE(French and Wilson，1978)改变为分辨率2.23_。所述不对称单元含有两个分子。

结构测定和微调

结构通过分子置换确定，以C1s的CCP2和SP结构域(PDB id 1elv)作为搜索模型，利用Collaborative Computing Project 4的程序Beast(Read，2001)。精制利用Refmac5(Murshudov et al.，1997)，利用受限制的最大可能性精制(restrained maximum likelihood refinement)以及TLS精制(Winn et al，2001)进行。Arp(Lamzin and Wilson，1997)用于自发(automatic)溶剂构建。模型构建利用O程序(Jones et al.，1991)进行。较紧的非晶体限制用于SP结构域，但除外不对称单元的两个分子中的不同构象中发现的一些残基。最终的模型含有分子A的残基362-440和445-686，以及分子B的残基366-412，416-441和445-686。所述结构的立体化学利用PROCHECK(Laskowski et al 1993)评估。精制统计数据显示于表I。

原子结构和结构因子利用登录号1q3x保存于Protein Data Bank。

图利用程序MOLSCRIPT(Kraulis，1991)，Raster3D(Merritt and Bacon，1997)，和Swiss-PDBViewer(Guex and Peitsch，1997)产生。分子表面利用程序GRASP(Nicholls et al.，1991)产生。结构比对利用O program和Swiss-PDBViewer进行。表面面积利用程序SURFACE(Lee and Richards，1971)计算。

实施例2

对MASP-2催化的C4沉积的抑制的测定：

所述测定法包括三个步骤1)制备甘露聚糖包被的微量滴定孔2)rMBL和rMASP-2与甘露聚糖包被的孔结合3)筛选MASP-2催化的C4沉积的抑制。

1)制备甘露聚糖包被的微量滴定孔：

96孔微量滴定板(FluroNunc，Nalgene Nunc Int.，Denmark)用甘露聚糖(10mg/L，Sigma Chemical Co.，St.Louis，USA)在包被缓冲液(Na₂CO₃：3.18g/L；NaHCO₃：5.86g/L；pH利用HCl调节到9.6)中、4℃包被过夜。孔在(10mM Tris，150mM NaCl，，pH利用HCl调节到7.4)洗涤两次。孔随后在室温保温1hr来封闭，所述保温在加入了1mg/mL人白蛋白(State Serum Institute，Copenhagen Denmark)的上述缓冲液中进行。孔在TBST+Ca²⁺(10mM Tris，150mM NaCl，10mM CaCl₂；0.05％Tween 20，pH利用HCl调节到7.4，现在起为洗涤缓冲液)中洗涤3次备用。

2)rMBL和rMASP-2与甘露聚糖包被的孔的结合：

0.8ng/孔重组纯化人His-标记的MASP-2和1ng/孔重组纯化的人MBL通过在添加了1mg/mL人白蛋白(State Serum Institute，Copenhagen Denmark)的上述缓冲液中、4℃保温过夜而结合于甘露糖包被的微量滴定板。随后在洗涤缓冲液中洗涤孔3次备用。

3)筛选对MASP-2催化的C4沉积的抑制：

将待筛选其抑制活性的化合物加入结合于微量滴定板孔的rMBL/rMASP-2，所述物质在加入了1mg/mL人白蛋白(State Serum Institute，Copenhagen Denmark)的上述洗涤缓冲液中，在室温保温1hr。在洗涤缓冲液中洗涤孔3次，并在37℃与纯化的人补体组分C4(大约1.5-2ng/mL)在缓冲液中保温1.5hr，所述缓冲液含有巴比妥钠(5mM)，NaCl(181mM)，CaCl2(2.5mM)，MgCl2(1.25mM)，pH7.4，使用前加入1mg/mL人白蛋白(StateSerum Institute，Copenhagen Denmark)。孔在洗涤缓冲液中洗涤3次，加入0.89mg/L生物素化的兔抗人补体组分C4c(Dako，Denmark，根据标准方法生物素化)。孔在室温保温1hr，并在洗涤缓冲液中洗涤3次。铕标记的链霉抗生物素(Wallac，Turku，Finland)以浓度0.1mg/L加入上述洗涤缓冲液，但是其中去除了钙并包括50μM EDTA。孔在室温保温1hr，并在洗涤缓冲液中洗涤3次。孔通过加入100μL Delfia Enhancement Solution(Perkin Elmer Wallac，Norton，USA)显色，并在轨道震摇器上于室温保温5min。孔在Wallac Victor 2^dMulti counter 1420(Wallac，Turku，Finland)中计数。

抑制表现为与没有加入抑制物质的孔相比计数减少。

实施例3

测定对完全血清中MASP-2催化的C4沉积的抑制：

待分析血清样品在上述巴比妥钠缓冲液中稀释250倍(终浓度)并加入C4(1.5-2ng/mL，终浓度)。加入待筛选其抑制活性的化合物并将样品在37℃保温5min和2hr。通常保温15min。将100μl加入如上述制备的甘露聚糖包被的微量滴定板孔，并加入0.89mg/L生物素化的兔抗人补体组分C4c(Dako，Denmark，根据标准方法生物素化)。孔在室温保温1hr，并在洗涤缓冲液中洗涤3次。铕标记的链霉抗生物素(Wallac，Turku，Finland)以浓度0.1mg/L加入上述洗涤缓冲液，但是其中去除了钙并包括50μM EDTA。孔在室温保温1hr，并在洗涤缓冲液中洗涤3次。孔通过加入100μL Delfia EnhancementSolution(Perkin Elmer Wallac，Norton，USA)显色，并在轨道震摇器上于室温保温5min。孔在Wallac Victor 2^d Multi counter 1420(Wallac，Turku，Finland)中计数。

实施例4

设计反应性化合物

2.1.产生位点图谱

利用内部开发的软件工具计算与活性位点互补的特征位点(featurepoint)。例如，氢键供体特征描绘在蛋白活性位点中的氢键受体附近。3D坐标和标记(受体，供体，阴性，阳性，疏水物和芳香族物质)的集合称为位点图谱。从技术上而言，所述位点图谱是三个分别计算的图谱的结合(union)，所述三个图谱为含有静电特征点(P，N，和H)的ESMap，具有氢键特征点(D和A)的HBMap以及含有芳香结构点(Ar)的AroMap。

静电特征图谱ESMap通过首先利用用于程序PASS(Brady et al.，2000)中的球形置换算方法(sphere placement algorithm)计算。其产生位于沿蛋白质表面的包埋体积区域中的平均分布的点组(setof points)(ProbeMap)。ProbeMap中的点的亚组包含P，N，和H特征点，根据蛋白质的局部静电特征而不同。CVFF分子机械力场用于计算静电势，_

i，在ProbeMap的每个点i，沿平均势_和平均量级|_|，其为ProbeMap中所有点的平均值。Φi的值决定点i是否被包括作为P，N，或H特征点，其根据以下定义

_i＞_+1.5*σ(_)，i＝N特征点

_i＞_.1.5*σ(_)，i＝P特征点

|_|.1.0*σ(|_|)＜|_i|＜_|+1.0*σ(|_|)，

i＝H特征点

本文σ(X)指量X的平均值的标准偏差。其标准化相对于活性位点的总体静电环境的点赋值。这表示非带电-中性蛋白结构(其可为没有被测定的或不存在晶体结构中的相反离子的结果)，其来自不合理的不对称特征点赋值。

氢键特征图谱HBMap通过使互补点突出到蛋白质的已知氢键原子之外测定。产生的点的超组(superset)基于空间抵触、不充分的埋藏和相同特征点的最小接近性来过滤。理想的氢键点的位置基于平均角度和距离，如PDB中观察到的那样(见例如表3)。与蛋白质抵触的点被去除。但是，为了坚固，小的位置混乱(perturbation)被应用以保持潜在重要的氢键位置。分叉的氢键点通过研究在被认为是中度或强氢键参与者的蛋白原子之间平均分叉的点的完整环来进行探索性计算。

所述环上的点如果不违反空间抵触、埋藏和相互接近性条件则作为分叉的HB而被保持。为了构建最终的HBMap，理想和分叉的HB点的保存(surviving)组被组合并基于相互接近性接受过滤(filtration)。

芳香特征点的AroMap组通过重复将苯环对接入蛋白活性位点并保持得分最高的构型的重心来计算。所述蛋白质利用极性-氢CVFF力场表示。对接利用局部优化模式中的内部编码进行。进行起始位点不同的一百次分离的局部对接试验。任何其最小能量构型得分位于5kcal/mol的能量床内的对接的构型包括在AroMap中。再次基于埋藏和相互接近行对点进行过滤。

2.2.将药效团转化成信号

药效团基于活性位点中的特征点通过特征点的所有2，3，和4点亚组的穷尽性计数产生。对于所有特征点对，它们在3D空间中的距离预先被计算。为了达到药效团的离散表示，所述距离利用使用者定义的二进制方案二进制化(binned)。手征通过编码4点药效团的手性(handness)来表示。每个药效团都描绘到独特的地址上，使得达4个特征和距离的任何可能组合被表示。距离是药效团的二进制表示，称为信号。信号的长度是编码4点药效团的最高的可能地址。信号中的所有比特的初值设定为0。为了表示药效团，信号中各个地址的比特被打开(turn on)(设定为1)。为表示活性位点，所有药效团被穷举性列举，并打开各自的比特。

2.3.多元结构信号的联合

多元信号可以被组合。多元信号的二元组合产生单个位串，其表示存在任何结构中的所有药效团。任何共同阈值c可用于定义多元活性位点的共同图像。即，药效团存在于至少活性位点构像的c。注意这种处理多元活性位点快照(snapshot)的方法非常有用。

2.4.分子信号

受试化合物如下编码。首先，对于每种化合物利用内部工具产生构型(conformer)，所述内部工具产生相对完整的分子构像模型。利用基于亚结构的规则组赋予特征。根据用于活性位点的相同方案，药效团从这些三维结构位置列举(enumerate)，由此保证二进制编码的相容性。但是，多个构型需要同时表示于此。这可通过包裹用于单个构型的药效团的穷举性列表进入化合物所有构型的额外环中来进行。即，化合物的任何构型的任何药效团通过开放信号中的各个比特来表示。

2.5.分子信号掩饰

利用活性位点的二进制表示和类似定义的分子的二进制表示，一些地址的比特的含义相同(相同的药效团，在距离二进制化的耐受范围内)。因此，显示设计空间实际上是通过活性位点信号掩饰任何分子信号。掩饰信号指获得位点信号和分子信号的逻辑和比特(taking the logical and of thethesite bits of the signature and the molecule signature)。对于给定分子，比特表示不存在活性位点中的药效团被关闭，而活性位点中的药效团可开启或关闭，根据它们在分子中的存在或缺失而不同。由此仅仅考虑活性位点定义的药效团空间。

2.6.信息文库设计

信息文库设计是分子选择策略，其优化返回给定实际文库的信息。目的是检测一组特征(药效团)，其决定对具体受试化合物的活性。信息设计目的在于选择一组化合物，使得产生的亚组将以不同但重叠的方式检测(interrogate)受试化合物。分子被选用于合成和筛选，使得设计空间中的每个药效团在该组分子中的出现模式是独特的。独特的“密码”使得能够在测定化合物组时鉴定并保留重要的药效团，而与实际的试验结果无关。这与多种寻求产生药效团在每个分子中的独特出现模式的方法相反。给定设计空间，该算法意图优化解码尽可能多的药效团，各种药效团类别的大小的最平滑(smoothest)分布。药效团类别指药效团亚组，其中所有药效团都具有相同的编码和模式。注意最佳方式是一组能解码每个独立药效团的化合物。但是，这可由于源集合(source pool)，比特关系或选择的大小有限而不可能进行。对于不受限制的优化的消耗(cost)功能就分子选择而言是类别分布的熵。该熵通过下式给出

H = - Σ_{i = 1}^{c} \frac{| c_{i} |}{f} \ln \frac{| c_{i} |}{f}

其中H是特征类别的熵，C是不同类别的数目，f是设计空间中的特征数目，|c|是类别i的大小。在优化过程中，选择分子，诸如以最大化H。

实施例5

MASP-2的CCP-2和丝氨酸蛋白酶结构域的三维模型可基于表3的晶体坐标构建(也见实施例1)。分子模拟通过利用可购得的InsightII 2000 20和SYBYL 6.2 21软件包进行。定量化学计算利用Gaussian 98.22进行。所有计算工作在Silicon Graphics workstations(Indigo II and O2)上进行。活性位点的大小和空间定向通过InsightII中Binding Site Analysis模块中执行的栅格分析(grid analysis)鉴定。用于搜索多肽的栅格大小设定为1_×1_×1_。多肽中所有溶剂可接近表面利用栅格点填充，仅仅具有至少125栅格点的那些被接受作为可能的化合物结合位点。为了研究活性位点中对于化合物结合而言必要的关键区域，利用多元拷贝同时搜索(MCSS)程序计算能量有利的位置和给定功能基团在多肽活性位点中的方向。被选用于MCSS计算的功能基团为苯，丙烷，环己烷，苯酚，乙醚和水，代表疏水功能基团，极性功能基团和溶剂。给定功能基团的复制品可在结合位点中随机分布，并随后同时且独立地能量最小化。如果分子对之间的标准差(rmsd)低于0.2_可认为其相同，所述情况下，一个分子对被消除。上述方案可重复，例如对于每个功能基团重复10次以允许对活性位点进行完全搜索。所有计算可利用CHARMM 22力场和MCSS 2.1 program.24计算。

重新设计程序LUDI可以用于进一步研究活性位点中的用于化合物结合的重要区域。InsightII/Binding Site Analysis模块中产生的栅格点分入四个亚位点。6_半径球体内的残基(聚集在每个亚位点的重心)用于产生作用位点。三种不同类型的作用位点在程序中定义：亲脂性，氢键供体和氢键受体。该程序提供的标准默认参数和片段文库用于LUDI搜索中。

最佳受试化合物即前导分子可通过人工连接一些MCSS最小量(minima)来构建。新的键被构建使得没有将明显的内部限制导入候选配体。产生的结构的合成可接近性在片段连接步骤中得到考虑。新形成的配体分子随后在刚性蛋白中能量最小化以利用InsightII中Discover 95.0程序中的CVFF力场使内部坐标规范化。In-sightII中亲和力模块中的柔性配体对接方法随后用于定义对于利用Monte Carlo对接方案产生的分子而言最低能量的位置。所有位于前导分子的规定半径(6_)中的原子被允许移动。使用提供有亲和力程序的溶剂化栅格(salvation grid)。如果产生的MASP-2系统的化合物/多肽在前述结构的预定能量耐受范围内，所述系统接受最小化。产生的结构基于利用Metropolis标准的能量检测以及新的结构相对于目前发现的结构的rms距离的检测而接受。最终构像通过模拟退火方法获得：500-300K，然后是5000轮能量最小化，以达到会聚(convergence)，产生的反应能量值用于确定级别顺序。前导分子的每个能量最小化的终对接位置利用LUDI中的反应分数功能评估。

鉴定前导分子之后，所述分子可被合成并且所述反应可在体外证实。

实施例6

利用in silico抑制物设计证实MASP-2晶体结构

为了证实MASP-2晶体结构，我们在wet实验室中检测了数种已知蛋白酶抑制物。我们根据它们的IC50值对抑制物进行分级。下一阶段，我们以insilico的方式将数种所选抑制物对接到MASP-2结构，并计算蛋白酶-抑制物相互作用的强度。计算的和测定的IC50值很好地一致，表明所述MASP-2结构适于基于计算机的抑制物设计。

开发用于测定重组MASP-2酶活性的体外测定法

为测定抑制物对MASP-2活性的影响，我们开发了利用重组MASP-2和合成底物的体外测定法。

试剂：

1.1酶

在蛋白酶活性测定中，我们利用重组MASP-2 CCP1-CCP2-SP片段(本文也称为MASP2γB)。MASP-2的最小催化单元是CCP2-SP片段。其可与完整分子一样有效裂解蛋白质底物(C2和C4)。本研究中，我们使用小分子量合成底物和抑制物，其与蛋白酶结构域对活性位点相互作用。CCP模块稳定丝氨酸蛋白酶结构域的结构并使得所述片段更适合实验操作。

备用液含有0.2mg/ml MASP-2 CCP1-CCP2-SP缓冲液溶液(145mMNaCl，50mM Tris-HCl，pH＝7.5)。其保存于+4℃数周。

1.2底物

由于MASP-2是胰蛋白酶-样丝氨酸蛋白酶，其切割Lys和Arg之后的多肽链。C1r和C1s相关补体蛋白酶可作为酯酶利用Lys-O-R或Arg-O-R合成底物测定，而它们的解酰氨活性很难测定。我们的初步试验显示合成硫酯Z-Lys-S-Bzl(Sigma)底物可通过重组MASP-2轻易切割。kcat/KM值对于MASP-2 CCP1-CCP2-SP为3X104M-1s-1。离开基团(leaving group)与发色团辅助底物DTDP(4，4’-dithiodipiridine)反应，所得复合体可通过分光光度计在324nm检测。

备用液浓度如下：

Z-Lys-S-Bzl～10mM，H2O中保存于-20℃

DTDP 20mM，DMF中保存于-20℃

反应缓冲液是20mM HEPES pH＝7.0

5mM CaCl2

1.3装置

我们使用连接于运行Grafit5软件的计算机的热稳定Jasco V560分光光度计，用于收集、处理并保存试验数据。所有反应在1ml石英比色杯中进行。

测定重组MASP-2活性的方案

1.)测定确切的底物浓度

·将热稳定仪设置为37℃使缓冲液达热稳定

·开启计算机并开始运行所述程序

·开启分光光度计

·用缓冲液充满两只比色杯(参比细胞和样品细胞)

·设定参数：波长(3

·324nm)，定位数据文件

·利用Auto zero设定零点

·将985μl缓冲液加入样品比色杯

·加入5μl胰蛋白酶备用液(c＝0.5μg/ml)

·起始测定程序

·加入5μl生色试剂DTDP备用液

·加入5μl底物(Z-Lys-S-Bzl)备用液，混合均匀

·使胰蛋白酶裂解所有可得底物(大约2mins)

·利用以下公式计算底物实际浓度：

C＝200(最大吸光度)/ε324

ε324＝19800M-1cm-1

2.) MASP-2活性的测定

·将缓冲液加入比色杯(985μl)

·加入MASP-2备用液(5μl)

·37℃保温反应混合物30min

·加入DTDP，其为底物的摩尔浓度的两倍，开始数据收集

·加入底物备用液

·测定反应速率(读数为dAbs/dmin)约200s

·通过将直线拟合到曲线的起始部分测定起始反应速率(大约10-20s)

3.)测定存在抑制物时的MASP-2活性

·将所述缓冲液加入比色杯

·加入5μl MASP-2备用液

·加入适量的所选抑制物(有机溶剂的体积不应超过总反应体积的5％)

·混合孔并将酶与抑制物一起在37℃保温30min

·如前部分所述进行

4.)发现最佳底物浓度

为了测定底物的最佳工作浓度，在此浓度下抑制物的效果可轻易测定，我们分析了不同底物浓度下的酶活性。

表5

底物浓度μM dAbs/dmin

100 0.0803

200 0.1545

300 0.1517

400 0.1805

150 0.0837

结论：我们选择150μM的底物浓度，由于其低于饱和并产生较好的可测定信号。由于IC₅₀值有赖于底物浓度，重要的是需要注意到以下测定可以以15μM底物(Z-Lys-S-Bzl)浓度进行。

2.测定数种蛋白酶抑制物对重组MASP-2活性的抑制

我们选择了9种蛋白酶抑制物用于IC₅₀测定：

Pefabloc-SC 4-(2-氨基乙基)-苯磺酰基氟化物

APMSF 4-脒基-苯基甲烷-磺酰基氟化物

Chymostatin(胰凝乳蛋白酶抑制剂)N-(Nα-羰基-([S，S]-α-(2-iminohaxahydro-4-嘧啶基)-甘氨酸)-X-Phe-al)-Phe X＝Leu/Val/IleE-64反式-环氧基琥珀酰-L-leucilamido(4-胍基)-丁烷

PMSF 苯甲基磺酰基氟化物

亮肽素乙酰-Leu-Leu-Arg-al

NPGB p-硝基苯基p

表6总结了9种所选抑制物的多个重要特性，包括提示的工作浓度。

表6

抑制物	靶蛋白酶类型	抑制类型	备用液	工作浓度
抑制物	靶蛋白酶类型	抑制类型	备用液	工作浓度	Pefabloc	丝氨酸	不可逆	0.1M，H₂O中	1mM
APMSF	丝氨酸	不可逆	0.1M，H₂O中	1mM	Pefabloc	丝氨酸	不可逆	0.1M，H₂O中	1mM

胰凝乳蛋白酶抑制剂	丝氨酸	可逆	20mM，DMSO中	0.1mM
胰凝乳蛋白酶抑制剂	丝氨酸	可逆	20mM，DMSO中	0.1mM	E64	半胱氨酸	不可逆	50mM，EtOH∶H₂O＝1∶1中	20μM
PMSF	丝氨酸，半胱氨酸	不可逆	0.1M，EtOH中	1mM	E64	半胱氨酸	不可逆	50mM，EtOH∶H₂O＝1∶1中	20μM
PMSF	丝氨酸，半胱氨酸	不可逆	0.1M，EtOH中	1mM	亮肽素	丝氨酸，半胱氨酸	可逆	2mM，EtOH中	10μM
NPGB	丝氨酸	可逆	0.1M，DMF中	0.2mM	亮肽素	丝氨酸，半胱氨酸	可逆	2mM，EtOH中	10μM
NPGB	丝氨酸	可逆	0.1M，DMF中	0.2mM	苯甲脒	丝氨酸	可逆	0.2M，H₂O中	20mM
εACA	丝氨酸	可逆	0.2M，H₂O中	20mM	苯甲脒	丝氨酸	可逆	0.2M，H₂O中	20mM

抑制物备用液以等分试样储存于-20℃以防止过多冷冻-干燥循环。MASP-2与该抑制物在37℃保温30min然后测定活性，如所述方案所示。所有数据点是三次独立测定的平均值。

2.1 PMSF

苯甲基磺酰基氟化物

Mw＝174.2Da

丝氨酸和半胱氨酸蛋白酶的不可逆抑制物

测定7种不同抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。IC50测定的数据组显示于表7和图7.

表7

[PMSF]/μM	dAbs/dmin
[PMSF]/μM	dAbs/dmin	5,00	0,0428
10,00	0,0385	5,00	0,0428
10,00	0,0385	20,00	0,0255
25,00	0,0230	20,00	0,0255
25,00	0,0230	35,00	0,0200
50,00	0,0180	35,00	0,0200
50,00	0,0180	70,00	0,0147

PMSF的IC₅₀是16.4μM。

2.2 Pefabloc-SC

4-(2-氨基乙基)-苯磺酰基氟化物

Mw＝239.7Da

丝氨酸蛋白酶的不可逆抑制物

测定10种抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。

IC50测定的数据组显示于表8和图8

表8

[Pefablock]/μM	dAbs/dmin
[Pefablock]/μM	dAbs/dmin	10,00	0,0486
20,00	0,0484	10,00	0,0486
20,00	0,0484	50,00	0,0461
100,00	0,0400	50,00	0,0461
100,00	0,0400	200,00	0,0281
300,00	0,0215	200,00	0,0281
300,00	0,0215	500,00	0,0116
800,00	0,0089	500,00	0,0116
800,00	0,0089	1000,00	0,0071
1500,00	0,0051	1000,00	0,0071

Pefabloc-SC的IC₅₀是221.7μM。

2.3苯甲脒

Mw＝156.6Da

丝氨酸蛋白酶的可逆抑制物

测定8种抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。

IC50测定的数据组显示于表9和图9。

表9

[Benzamidin]/mM	dAbs/dmin
[Benzamidin]/mM	dAbs/dmin	0,02	0,0621
0,10	0,0549	0,02	0,0621
0,10	0,0549	0,20	0,0473
0,50	0,0379	0,20	0,0473
0,50	0,0379	2,00	0,0190
5,00	0,0095	2,00	0,0190
5,00	0,0095	10,00	0,0065
20,00	0,0041	10,00	0,0065

苯甲脒的IC50是0.688mM。

2.4 NPGB

p-硝基苯基p’-胍基苯甲酸酯

Mw＝336,74Da

丝氨酸蛋白酶的可逆抑制物

测定9种不同抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。

IC50测定的数据组显示于表10和图10.

表10

[NPGB]/nM	dAbs/dmin
[NPGB]/nM	dAbs/dmin	10,00	0,0559
50,00	0,0481	10,00	0,0559
50,00	0,0481	100,00	0,0403
200,00	0,0349	100,00	0,0403
200,00	0,0349	300,00	0,0241
500,00	0,0213	300,00	0,0241
500,00	0,0213	800,00	0,0160
1000,00	0,0113	800,00	0,0160
1000,00	0,0113	2000,00	0,0090

NPGB的IC50是229.6nM。

2.5 APMSF

4-脒基-苯基甲烷(phenylmethane)-磺酰基氟化物

Mw＝252.7Da

丝氨酸蛋白酶的不可逆抑制物

测定10种不同抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。

IC₅₀测定的数据组显示于表11和图11。

表11

[APMSF]/μM	dAbs/dmin
[APMSF]/μM	dAbs/dmin	0,10	0,0475
0,50	0,0421	0,10	0,0475
0,50	0,0421	1,00	0,0406
3,00	0,0338	1,00	0,0406
3,00	0,0338	5,00	0,0321
10,00	0,0255	5,00	0,0321
10,00	0,0255	15,00	0,0154
20,00	0,0143	15,00	0,0154
20,00	0,0143	30,00	0,0066
100,00	0,0023	30,00	0,0066

APMSF的IC50是11.0μM。

2.6亮肽素

乙酰-Leu-Leu-Arg-al

Mw＝426.6Da

丝氨酸和半胱氨酸蛋白酶的可逆抑制物

测定8种不同抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。

IC₅₀测定的数据组显示于表12和图12。

表12

[Leupeptin]/μM	dAbs/dmin
[Leupeptin]/μM	dAbs/dmin	70,00	0,013
50,00	0,0122	70,00	0,013
50,00	0,0122	20,00	0,0245
10,00	0,0337	20,00	0,0245
10,00	0,0337	7,00	0,0382
5,00	0,0489	7,00	0,0382
5,00	0,0489	3,00	0,0558
1,00	0,0644	3,00	0,0558
1,00	0,0644	0,00	0,0698

亮肽素的IC50是7.7μM。

2.7 E64

反式-环氧基琥珀酰-L-leucilamido(4-胍基)-丁烷

Mw＝357.4

半胱氨酸蛋白酶的不可逆抑制物

测定5种不同抑制物的浓度，并利用Grafit 5程序，通过非线性曲线拟合的方法计算IC₅₀值。

IC₅₀测定的数据组显示于图13和表13。

表13

[E64]/mM	dAbs/dmin
[E64]/mM	dAbs/dmin	0,00	0,0613
0,50	0,0611	0,00	0,0613
0,50	0,0611	1,00	0,0436
1,50	0,0386	1,00	0,0436
1,50	0,0386	2,00	0,0427

E64是非常弱的MASP-2抑制物，其在相对高的抑制物浓度导致低效应。所述程序计算IC₅₀值(0.87mM)。

2.8 Chymostatin(胰凝乳蛋白酶抑制剂)

N-(Nα-羰基-([S，S]-α-(2-iminohaxahydro-4-嘧啶基)-甘氨酸)-X-Phe-al)-Phe X＝Leu/Val/Ile

Mw＝604.7Da

丝氨酸蛋白酶的可逆抑制物

检测了5种不同抑制物浓度。和E64一样，胰凝乳蛋白酶抑制剂对MASP-2的抑制效应是可忽略的(见表14的数据)。

表14

[Chymostatin]/μM	dAbs/dmin
[Chymostatin]/μM	dAbs/dmin	0.00	0.0834
50.00	0.0667	0.00	0.0834
50.00	0.0667	100.00	0.0568
300.00	0.0561	100.00	0.0568
300.00	0.0561	500.00	0.0503
1000.00	0.0593	500.00	0.0503

2.9 εACA

ε-氨基己酸

Mw＝131.2Da

丝氨酸蛋白酶的可逆抑制物

检测了5种不同抑制物浓度。和E64与胰凝乳蛋白酶抑制剂一样，εACA对MASP-2的抑制效应是可忽略的(见表15的数据)。

表15

[εACA]/mM	dABS/dmin
[εACA]/mM	dABS/dmin	2	0.05535
20	0.06439	2	0.05535
20	0.06439	30	0.05609
40	0.05984	30	0.05609
40	0.05984	50	0.06940

IC₅₀测定结果总结

下表16总结了利用9中不同抑制物的测定的结果。所述抑制物根据它们的IC₅₀值(#1具有最小IC50值，因此其为最佳抑制物)分级。

表16

级别	抑制物	IC₅₀
级别	抑制物	IC₅₀	1	NPGB	0.2296μM
2	亮肽素	7.7μM	1	NPGB	0.2296μM
2	亮肽素	7.7μM	3	APMSF	11.0μM
4	PMSF	16.4μM	3	APMSF	11.0μM
4	PMSF	16.4μM	5	Pefabloc-SC	221.7μM
6	苯甲脒	688μM	5	Pefabloc-SC	221.7μM
6	苯甲脒	688μM		胰凝乳蛋白酶抑制剂	无抑制效应
	E64	无抑制效应		胰凝乳蛋白酶抑制剂	无抑制效应
	E64	无抑制效应		εACA	无抑制效应

NPGB是最佳抑制物IC₅₀值为纳摩尔范围。亮肽素的IC₅₀值的量级高于NPGB的，但其仍为最有效的抑制物。PMSP和APMSF这两种相关抑制物显示实际上相同的抑制效应。令人吃惊地，最近开发的丝氨酸蛋白酶的非常有效的抑制物Pefabloc-SC(对胰蛋白酶和糜蛋白酶的IC₅₀值分别为81μM和44μM)是MASP-2的平均抑制物。苯甲脒小但并非非常特异性的丝氨酸蛋白酶抑制物。三种抑制物显示基本上无抑制效应。E64是半胱氨酸蛋白酶抑制物，其通常不抑制丝氨酸蛋白酶。胰凝乳蛋白酶抑制剂和εACA是丝氨酸蛋白酶抑制物s，但它们对重组MASP-2活性的抑制效应可忽略。

3.对接程序软件包的应用，以及开发in silico筛选方案用于重组MASP-2结构

为了证实MASP-2的晶体结构，我们利用三种不同抑制物进行对接方法(苯甲脒，亮肽素和NPGB)。这三种抑制物的IC₅₀值以前利用体外酶活性测定法测定(见上文)。我们比较了in silico对接的结果所述抑制物的测定值。AutoDock 3.05用于抑制物与MASP-2的对接，一些其它程序用于数据预处理。

3.1数据预处理：

3.1.1酶

酶的3D结构是具有部分电荷和溶剂化参数(solvation parameters)的pdbqs(protein data bank)形式。我们通过SYBYL 6.3利用Mulliken群体分析法(population analysis method)将部分电荷赋予MASP-2 X-线晶体结构(pdbcode：1q3x)。酶上的总电荷是-11e。结构保存作为mol2文件模式(/m-kollnolp.mol2)，然后通过awk script mol2topdbq转化为pdbq模式，并保存为/m-kollnolp.pdbq。

Autodock需要溶剂化参数以计算结合自由能。我们通过ADDSOL(Autodock 3.0 package)程序指定溶剂化参数，并将结果保存为/m-kollnolp.pdbqs。

3.1.2抑制物

抑制物结构也为pdbq文件形式。SYBYL 6.3用于利用AM1半经验计算开发抑制物的3D结构，电荷通过Mulliken群体分析法(log files：/ligands/chymostatinaml.out，/ligands/npgbgaussian.out)确定。由于抑制物经柔性处理，我们定义了所述分子的活性扭转(active torsion)，其可通过Autotors(Autodock 3.0 package)进行。以下坐标文件用于抑制物：

苯甲脒

名称：苯甲脒

Mw：156.6Da

苯甲脒具有+1e总电荷，和原子之间的2个活性可转动结合：C7_7，N1_8以及A1_1和C7_7之间。

苯甲脒的结构显示于图14。

苯甲脒结构的坐标文件(/ligands/ben.pdbq)：

REMARK 2 active torsions：

REMARK status：(′A′for Active；′I′for Inactive)

REMARK 1 A between atoms：C7_7 and N1_8

REMARK 2 A between atoms：A1_1 and C7_7

ROOT

ATOM 1 C7 BEN 1 -7.849 22.628 66.124 0.00 0.00 0.773

ATOM 2 N2 BEN 1 -6.781 23.078 65.487 0.00 0.00 -0.764

ATOM 3 H21 BEN 1 -5.862 22.645 65.654 0.00 0.00 0.417

ATOM 4 H22 BEN 1 -6.868 23.862 64.825 0.00 0.00 0.402

ENDROOT

BRANCH 1 5

ATOM 5 N1 BEN 1 -9.010 23.211 65.883 0.00 0.00 -0.768

ATOM 6 H11 BEN 1 -9.091 23.902 65.122 0.00 0.00 0.407

ATOM 7 H12 BEN 1 -9.833 22.975 66.455 0.00 0.00 0.416

ENDBRANCH 1 5

BRANCH 1 8

ATOM 8 A1 BEN 1 -7.706 21.692 67.142 0.00 0.00 -0.259

ATOM 9 A6 BEN 1 -6.486 21.070 67.341 0.00 0.00 0.073

ATOM 10 A2 BEN 1 -8.773 21.391 67.946 0.00 0.00 0.086

ATOM 11 A5 BEN 1 -6.319 20.124 68.349 0.00 0.00 0.027

ATOM 12 A4 BEN 1 -7.401 19.800 69.172 0.00 0.00 0.171

ATOM 13 A3 BEN 1 -8.633 20.441 68.965 0.00 0.00 0.020

ENDBRANCH 1 8

TORSDOF 0

亮肽素

名称：乙酰-Leu-Leu-Arg-al

Mw：426.6Da

亮肽素页具有+1e总电荷并具有19个活性扭转角。活性扭转的位置列于REMARK lines。

亮肽素的结构显示于图15。

亮肽素结构的坐标文件(/ligands/亮肽素.pdbq)：

REMARK 19 active torsions：

REMARK status：(′A′for Active；′I′ for Inactive)

REMARK 1 A between atoms：CB_21 and CG_24

REMARK 2 A between atoms：CD_25 and NE_26

REMARK 3 A between atoms：CA_9 and C_22

REMARK 4 A between atoms：CA_1 and N_2

REMARK 5 A between atoms：CA_1 and C_4

REMARK 6 A between atoms：CA_11 and N_12

REMARK 7 A between atoms：N_2 and C_33

REMARK 8 A between atoms：CA_11 and CB_13

REMARK 9 A between atoms：CZ_27 and NH2_28

REMARK 10 A between atoms：CG_24 and CD_25

REMARK 11 A between atoms：CZ_27 and NH1_29

REMARK 12 A between atoms：CA_9 and N_20

REMARK 13 A between atoms：CA_9 and CB_21

REMARK 14 A between atoms：CA_1 and CB_3

REMARK 15 A between atoms：C_4 and N_12

REMARK 16 A between atoms：CB_3 and CG_6

REMARK 17 A between atoms：CB_13 and CG_16

REMARK 18 A between atoms：CA_11 and C_14

REMARK 19 A between atoms：C_14 and N_20

ROOT

ATOM 1 CA LEU A 2 0.502 -1.532 -0.873 0.00 0.00 0.185

ENDROOT

BRANCH 1 2

ATOM 2 N LEU A 2 1.222 -1.008 0.259 0.00 0.00 -0.523

ATOM 3 HN LEU A 2 0.739 -0.963 1.127 0.00 0.00 0.318

BRANCH 2 4

ATOM 4 C LEU A 1 2.534 -0.583 0.175 0.00 0.00 0.354

ATOM 5 O LEU A 1 3.195 -0.706 -0.874 0.00 0.00 -0.391

BRANCH 4 6

ATOM 6 CA LEU A 1 3.074 0.159 1.425 0.00 0.00 0.185

BRANCH 6 7

ATOM 7 N LEU A 1 4.51 5 0.159 1.425 0.00 0.00 -0.523

ATOM 8 HN LEU A 1 4.972 0.158 0.543 0.00 0.00 0.319

BRANCH 7 9

ATOM 9 C ACE A 5.241 0.039 2.598 0.00 0.00 0.362

ATOM 10 O ACE A 4.657 0.012 3.700 0.00 0.00 -0.401

ATOM 11 CA ACE A 6.743 -0.047 2.484 0.00 0.00 0.107

ENDBRANCH 7 9

ENDBRANCH 6 7

BRANCH 6 12

ATOM 12 CB LEU A 1 2.461 1.575 1.425 0.00 0.00 0.013

BRANCH 12 13

ATOM 13 CG LEU A 1 2.502 2.190 2.817 0.00 0.00 -0.001

ATOM 14 CD1 LEU A 1 2.087 3.645 2.726 0.00 0.00 0.005

ATOM 15 CD2 LEU A 1 1.620 1.441 3.796 0.00 0.00 0.025

ENDBRANCH 12 13

ENDBRANCH 6 12

ENDBRANCH 4 6

ENDBRANCH 2 4

ENDBRANCH 1 2

BRANCH 1 16

ATOM 16 CB LEU A 2 0.774 -3.028 -1.148 0.00 0.00 0.028

BRANCH 16 17

ATOM 17 CG LEU A 2 1.656 -3.229 -2.372 0.00 0.00 -0.006

ATOM 18 CD1 LEU A 2 2.156 -4.660 -2.408 0.00 0.00 0.037

ATOM 19 CD2 LEU A 2 0.918 -2.906 -3.655 0.00 0.00 0.012

ENDBRANCH 16 17

EFNDBRANCH 1 16

BRANCH 1 20

ATOM 20 C LEU A 2 -1.025 -1.344 -0.693 0.00 0.00 0.352

ATOM 21 O LEU A 2 -1.550 -1.036 0.398 0.00 0.00 -0.426

BRANCH 20 22

ATOM 22 N ARG A 3 -1.790 -1.503 -1.831 0.00 0.00 -0.508

ATOM 23 HN ARG A 3 -1.360 -1.817 -2.677 0.00 0.00 0.330

BRANCH 22 24

ATOM 24 CA ARG A 3 -3.228 -1.569 -1.766 0.00 0.00 0.110

BRANCH 24 25

ATOM 25 CB ARG A 3 -3.931 -0.204 -1.902 0.00 0.00 0.037

BRANCH 25 26

ATOM 26 CG ARG A 3 -3.553 0.706 -0.754 0.00 0.00 0.078

BRANCH 26 27

ATOM 27 CD ARG A 3 -4.415 1.968 -0.776 0.00 0.00 0.191

BRANCH 27 28

ATOM 28 NE ARG A 3 -4.091 2.853 0.326 0.00 0.00 -0.455

ATOM 29 CZ ARG A 3 -4.724 4.054 0.547 0.00 0.00 0.474

ATOM 30 HE ARG A 3 -3.386 2.543 0.966 0.00 0.00 0.356

BRANCH 29 31

ATOM 31 NH2 ARG A 3 -4.366 4.825 1.634 0.00 0.00 -0.544

ATOM 32 1HH2 ARG A 3 -3.658 4.521 2.264 0.00 0.00 0.351

ATOM 33 2HH2 ARG A 3 -4.806 5.700 1.807 0.00 0.00 0.349

ENDBRANCH 29 31

BRANCH 29 34

ATOM 34 NH1 ARG A 3 -5.711 4.499 -0.304 0.00 0.00 -0.538

ATOM 35 1HH1 ARG A 3 -5.980 3.960 -1.096 0.00 0.00 0.351

ATOM 36 2HH1 ARG A 3 -6.163 5.372 -0.151 0.00 0.00 0.348

ENDBRANCH 29 34

ENDBRANCH 27 28

ENDBRANCH 26 27

ENDBRANCH 25 26

ENDBRANCH 24 25

BRANCH 24 37

ATOM 37 C ARG A 3 -3.839 -2.497 -2.8 16 0.00 0.00 0.322

ATOM 38 O ARG A 3 -3.218 -2.938 -3.778 0.00 0.00 -0.284

ENDBRANCH 24 37

ENDBRANCH 22 24

ENDBRANCH 20 22

ENDBRANCH 1 20

TORSDOF 17

NPGB

名称： p-硝基苯基-p-胍基苯甲酸，

Mw 336,74Da

NPGB具有+1e总电荷和7个活性扭转(torsion)。

NPGB的结构显示于图16。

NPGB结构的坐标文件(/ligands/npgb.pdbq)：

REMARK 7 active torsions：

REMARK status：(′A′for Active；′I′ for Inactive)

REMARK 1 A between atoms：A24_24 and N27_27

REMARK 2 A between atoms：N27_27 and C29_29

REMARK 3 A between atoms：C29_29 and N30_30

REMARK 4 A between atoms：A6_6 and N11_11

REMARK 5 A between atoms：A3_3 and O14_14

REMARK 6 A between atoms：O14_14 and C15_15

REMARK 7 A between atoms：C15_15 and A17_17

ROOT

ATOM 1 A17<1> 0 1.390 0.647 -0.241 1.00 0.00 -0.246

ATOM 2 A1 8<1> 0 1.750 -0.675 -0.420 1.00 0.00 0.135

ATOM 3 A19<1> 0 2 49 1.645 -0.199 1.00 0.00 0.154

ATOM 4 A20<1> 0 3.086 -1.006 -0.553 1.00 0.00 0.068

ATOM 5 A22<1> 0 3.684 1.320 -0.335 1.00 0.00 0.067

ATOM 6 A24<1> 0 4.041 -0.006 -0.507 1.00 0.00 0.216

ENDROOT

BRANCH 1 7

ATOM 7 C15<1> 0 -0.028 1.065 -0.092 1.00 0.00 1.029

ATOM 8 O16<1> 0 -0.375 2.204 0.068 1.00 0.00 -0.591

BRANCH 7 9

ATOM 9 O14<1> 0 -0.859 0.005 -0.158 1.00 0.00 -0.815

BRANCH 9 10

ATOM 10 A3 <1> 0 -2.254 -0.011 -0.067 1.00 0.00 0.395

ATOM 11 A4 <1> 0 -3.037 1.110 0.127 1.00 0.00 0.062

ATOM 12 A2 <1> 0 -2.813 -1.271 -0.189 1.00 0.00 0.013

ATOM 13 A5 <1> 0 -4.408 0.954 0.199 1.00 0.00 0.148

ATOM 14 A6 <1> 0 -4.962 -0.298 0.078 1.00 0.00 0.270

ATOM 15 A1 <1> 0 -4.179 -1.417 -0.116 1.00 0.00 0.145

BRANCH 14 16

ATOM 16 N11<1> 0 -6.399 -0.449 0.157 1.00 0.00 0.181

ATOM 17 O13<1> 0 -7.072 0.580 0.331 1.00 0.00 -0.374

ATOM 18 O12<1> 0 -6.857 -1.599 0.040 1.00 0.00 -0.377

ENDBRANCH 14 16

ENDBRANCH 9 10

ENDBRANCH 7 9

ENDBRANCH 1 7

BRANCH 6 19

ATOM 19 N27<1> 0 5.438 -0.351 -0.666 1.00 0.00 -1.001

ATOM 20 H28<1> 0 5.793 -0.415 -1.601 1.00 0.00 0.409

BRANCH 19 21

ATOM 21 C29<1> 0 6.255 -0.590 0.354 1.00 0.00 1.353

ATOM 22 N33<1> 0 7.532 -0.869 0.122 1.00 0.00 -0.945

BRANCH 21 23

ATOM 23 N30<1> 0 5.797 -0.553 1.593 1.00 0.00 -0.946

ATOM 24 H31<1> 0 4.831 -0.366 1.774 1.00 0.00 0.429

ATOM 25 H32<1> 0 6.392 -0.700 2.381 1.00 0.00 0.406

ENDBRANCH 21 23

ATOM 26 H34<1> 0 8.165 -1.090 0.863 1.00 0.00 0.408

ATOM 27 H35<1> 0 7.911 -0.868 -0.801 1.00 0.00 0.407

ENDBRANCH 19 21

ENDBRANCH 6 19

TORSDOF 5

3.2对接

我们利用AutoDock 3.05程序用于对接。该程序作为源代码是所需的，并在dual Linux workstation(dual 2.8GHz Xeon，1GB RAM，RedHat 9.0 OS)上编辑。

基于文献，我们使用Lamarckian Genetic Algorithm(LGA)对接策略，主要参数为：

群体大小 100

能量评估最大值 25000000

生成最大数目 27000

试验数目 200

我们总共对接200次以收集足够的数据，以选择最可能的对接构象。对接的其它参数列于对接参数文件中。(/ben/ben.m-kollnolp.LGA.dpf，/亮肽素/亮肽素.m-kollnolp.LGA.dpf，/npgb/npgb.m-kollnolp.LGA.dpf)

对接(docking)参数文件：

seed pid time #seeds for random generator

types CANOH # atom type names

fld m-kollxnolp.maps.fld #grid_data_file

map m-kollxnolp.C.map #atom-specific affnity map

map m-kollxnolp.A.map #atom-specific affinity map

map m-kollxnolp.N.map #atom-specific affinity map

map m-kollxnolp.O.map #atom-specific affinity map

map m-kollxnolp.H.map #atom-specific affinity map

map m-kollxnolp.e.map #electrostatics map

move npgb.pdbq #small molecule

about 1.1545-0.1113 0.0793 #small molecule center

tran0 random #initial coordinates/A or random

quat0 random #initialquaternion

ndihe 7 #number of active torsions

dihe0 random #initial dihedrals(relative)or random

tstep 2.0 #translation step/A

qstep 50.0 #quaternion step/deg

dstep 50.0 #torsion step/deg

torsdof 50.3113 #torsional degrees of freedom and coeffiecent

intnbp_r_eps 4.00 0.0222750 12 6 #C-C lj

intnbp_r_eps 4.00 0.0222750 12 6 #C-A lj

intnbp_r_eps 3.75 0.0230026 12 6 #C-N lj

intnbp_r_eps 3.60 0.0257202 12 6 #C-O lj

intnbp_r_eps 3.00 0.0081378 12 6 #C-H lj

intnbp_r_eps 4.00 0.0222750 12 6 #A-A lj

intnbp_r_eps 3.75 0.0230026 12 6 #A-N lj

intnbp_r_eps 3.60 0.0257202 12 6 #A-O lj

intnbp_r_eps 3.00 0.0081378 12 6 #A-H lj

intnbp_r_eps 3.50 0.0237600 12 6 #N-N lj

intnbp_r_eps 3.35 0.0265667 12 6 #N-O lj

intnbp_r_eps 2.75 0.0084051 12 6 #N-H lj

intnbp_r_eps 3.20 0.0297000 12 6 #O-O lj

intnbp_r_eps 2.60 0.0093852 12 6 #O-H lj

intnbp_r_eps 2.00 0.0029700 12 6 #H-H lj

outlev 1 #diagnostic output level

rmstol 0.5 #cluster_tolerance/A

extnrg 1000.0 #external grid energy

e0max 0.0 10000 #max initial energy；max number ofretries

ga_pop_size 100 #number of individuals in population

ga_num_evals 25000000 #maximum number of energy evaluations

ga_num_generations 27000 #maximum number of generations

ga_elitism 1 #number of top individuals to survive to next generation

ga_mutation_rate 0.02 #rate of gene mutation

ga_crossover_rate 0.8 #rate of crossover

ga_window_size 10 #

ga_cauchy_alpha 0.0 #Alpha parameter of Cauchy distribution

ga_cauchy_beta 1.0 #Beta parameter Cauchy distribution

set_ga #set the above parameters for GA or LGA

sw_max_its 300 #iterations of Solis&Wets local search

sw_max_succ 4 #consecutive successes before changing rho

sw_max_fail 4 #consecutive failures before changing rho

sw_rho 1.0 #size of local search space to sample

sw_lb_rho 0.01 #lower bound on rho

ls_search_freq 0.06 #probability of performing local search on individual

set_psw1 #set the above pseudo-Solis & Wets parameters

ga_run 200 #do this many hybrid GA-LS runs

analysis #perform a ranked cluster analysis

对接所需的时间反应了抑制物自由度的程度。表17总结了对接的时间域(coast)。表17抑制物时间苯甲脒 20h 20m

亮肽素 74h 22m

NPGB 40h 32m

每种抑制物的200次对接的时间。

3.3结果：

Autodock计算了自由能功能，并基于此计算估计的抑制常数(Ki)。估计的Ki值与IC50成比例，由此我们可比较测定的和计算的值。

3.3.1苯甲脒：

对于苯甲脒结合，我们获得了四个较好的群体接近簇，其从结果log(/ben/ben.m-kollnplo.LGA.dlg)文件中可见：

对接直方图(histogram)

_____________________________________________________________________簇级别|最低对接能|试验数|平均对|簇内数目|直方图

接能(Clus |(Lowest |(Run)|(Mean |(Num |(Histogram)-ter |Docked | |Docked |in |Rank)|Energy) | |Energy)|Clus)| 5 10 15 20 25 30 35_______|________|____|_____|____|___：___|___：___|___：___|___：___1 | -7.40 | 133 | -7.38 | 96|################################################################################################2 | -7.37 | 35 | -7.36 | 75|###########################################################################3 |-7.35 |153 | -7.34 | 23 |#######################4 |-7.34 | 25 | -7.33 | 6 |######______|_____|___|_____|____|__________________________

200次测定中发现的多元构象簇的数目为＝4。

最可能的对接构象是RUN 133.3D结构的坐标：

MODEL 133

USER 试验＝133

USER 簇级别＝1

USER 该簇中的构像数＝96

USER

USER 与参比结构的RMSD ＝2.808 A

USER

USER 估计的结合自由能＝ -7.56kcal/mol [＝(1)+(3)]

USER 估计的抑制常数，Ki ＝ +2.86e-06 [温度＝298.15K]

USER

USER 终对接能＝ -7.40 kcal/mol [＝(1)+(2)]

USER

USER (1)终分子间能量＝ -7.56 kcal/mol

USER (2)配体的终内部能量＝ +0.16 kcal/mol

USER (3)扭转自由能＝ +0.00e+00 kcal/mol

USER

USER DPF＝ben.m-kollxnolp.LGA.dpf

USER NEWDPF move ben.pdbq

USER NEWDPF ABOUT -7.739400 22.063000 66.805000

USER NEWDPF tran0 -8.828040 23.148807 67.684197

USER NEWDPF quat0 -0.792628 0.598277 0.117493 -104.302833

USER NEWDPF ndihe 2

USER NEWDPF dihe0 -66.18 124.84

USER

USER x y z vdW Elec q RMS

ATOM 1 C7 BEN 1 -8.683 23.802 68.273-0.96-1.09 +0.773 2.808

ATOM 2 N2 BEN 1 -7.881 23.572 69.300-0.49+0.79 -0.764 2.808

ATOM 3 H21 BEN 1 -7.298 22.724 69.317-0.17-0.21 +0.417 2.808

ATOM 4 H22 BEN 1 -7.842 24.240 70.083-0.02-0.53 +0.402 2.808

ATOM 5 N1 BEN 1 -9.416 24.901 68.289-0.55+1.20 -0.768 2.808

ATOM 6 H11 BEN 1 -10.070 25.072 69.068+0.06-0.77 +0.407 2.808

ATOM 7 H12 BEN 1 -9.335 25.586 67.525-0.05-0.77 +0.416 2.808

ATOM 8 A1 BEN 1 -8.867 22.822 67.305-0.73+0.33 -0.259 2.808

ATOM 9 A6 BEN 1 -10.109 22.231 67.149-0.66-0.08 +0.073 2.808

ATOM 10 A2 BEN 1 -7.820 22.447 66.506-0.64-0.11 +0.086 2.808

ATOM 11 A5 BEN 1 -10.318 21.242 66.191-0.62-0.02 +0.027 2.808

ATOM 12 A4 BEN 1 -9.257 20.843 65.375-0.60-0.16 +0.171 2.808

ATOM 13 A3 BEN 1 -8.002 21.453 65.537-0.69-0.02 +0.020 2.808

TER

ENDMDL

200种对接的构象的叠合图像显示于图17。存在两个位置接近的分离簇。

3.3.2亮肽素：

对于亮肽素，我们发现了一种较好的群体簇，并且由于这代表最可能的对接簇，我们从该簇选出了最低的能量结构。

对接直方图为：

对接直方图_______________________________________________________________________________簇级别|最低对接能|试验数|平均对|簇内数目|直方图

接能

-ter | Docked | | Docked | in |

____|__________|_____|_________|______|____：____|___：___|___：___|__：__

1| -20.11|185| -20.11| 1|#

2| -19.45|125| -18.06| 2|##

3| -18.83| 40| -18.13| 2|##

4| -18.40| 70| -18.40| 1|##

5| -18.28| 7| -18.28| 1|##

6| -18.26| 95| -18.26| 1|#

7| -18.12|100| -16.54|14|##############

8| -17.98| 15| -17.98| 1|#

9| -17.92|127| -16.47| 4|####

10| -17.90| 86| -16.98| 3|###

11| -17.78|160| -17.44| 2|##

12| -17.77| 38| -17.77| 1|#

13| -17.77| 3| -17.77| 1|#

14| -17.76| 44| -16.56| 3|###

15| -17.47|158| -17.11| 2|##

16| -17.43|148| -17.43|1|#

17| -17.33|147| -16.42|4|####

18| -17.30|116| -16.85|2|##

19| -17.29|199| -16.45|3|###

20| -17.20| 22| -16.83|3|###

21| -17.06|109| -17.06|1|#

22| -16.86|176| -16.57|3|###

23| -16.78|139| -16.78|1|#

24| -16.74|108| -15.92|2|##

25| -16.72| 36| -16.19|4|####

26| -16.71| 14| -16.59|3|###

27| -16.71|103| -16.71|1|#

28| -16.71| 69| -14.70|2|##

29| -16.69| 20| -16.69|1|#

30| -16.69| 53| -16.69|1|#

31| -16.57|102| -16.57|1|#

32| -16.55|110| -15.43|4|####

33| -16.53|138| -15.48|3|###

34| -16.49| 88| -16.27|2|##

35| -16.45|188| -16.27|2|##

36| -16.45|151| -16.45|1|#

37| -16.42|134| -16.42|1|#

38| -16.40|173| -16.40|1|#

39| -16.39|152| -16.39|1|#

40| -16.37| 82| -16.37|1|#

41| -16.36|136| -16.36|1|#

42| -16.33|141| -16.33|1|#

43| -16.29| 65| -15.74|2|##

44| -16.29| 33| -16.16|2|##

45| -16.23|191| -15.61|3|###

46| -16.22| 17| -16.07|2|##

47| -16.19| 23| -15.73|2|##

48| -16.16|157| -16.16|1|#

49| -16.13| 26| -16.13|1|#

50| -16.12|104| -16.12|1|#

51| -16.09| 67| -16.09|1|#

52| -15.96|124| -15.96|1|#

53| -15.91| 79| -15.91|1|#

54| -15.89| 60| -15.89|1|#

55| -15.84|117| -15.84|1|#

56| -15.83| 52| -15.83|1|#

57| -15.82|186| -15.82|1|#

58| -15.80| 24| -15.80|1|#

59| -15.76| 27| -15.69|2|##

60| -15.67| 93| -15.67|1|#

61| -15.66| 73| -15.66|1|#

62| -15.65| 19| -15.65|1|#

63| -15.61| 74| -15.61|1|#

64| -15.58|106| -15.58|1|#

65| -15.58|132| -15.58|1|#

66| -15.50| 25| -15.50|1|#

67| -15.49| 54| -15.05|2|##

68| -15.48|198| -15.48|1|#

69| -15.46|149| -15.46|1|#

70| -15.43|155| -15.43|1|#

71| -15.43|112| -15.43|1|#

72| -15.42|179| -15.42|1|#

73| -15.37|195| -15.37|1|#

74| -15.36| 78| -15.36|1|#

75| -15.36| 49| -15.36|1|#

76| -15.33| 87| -15.33|1|#

77| -15.29|177| -15.29|1|#

78| -15.13|137| -15.13|1|#

79| -15.12|175| -15.12|1|#

80| -15.11| 4| -15.11|1|#

81| -15.08| 13| -15.08|1|#

82| -15.07|115| -15.07|1|#

83| -15.02|194| -14.55|2|##

84| -14.99| 32| -14.99|1|#

85| -14.97|159| -14.97|1|#

86| -14.97| 63| -14.97|1|#

87| -14.94|130| -14.94|1|#

88| -14.85| 34| -14.85|1|#

89| -14.83|122| -14.58|2|##

90| -14.78|101| -14.78|1|#

91| -14.77| 55| -14.77|1|#

92| -14.76| 48| -14.55|3|###

93| -14.72| 6| -14.72|1|#

94| -14.56| 84| -14.56|1|#

95| -14.56|163| -14.56|1|#

96| -14.54|114| -14.54|1|#

97| -14.53| 62| -14.53|1|#

98| -14.50| 66| -14.50|1|#

99| -14.48| 10| -14.48|1|#

100| -14.46| 47| -14.46|1|#

101| -14.44| 94| -14.39|2|##

102| -14.43| 12| -14.43|1|#

103| -14.38|154| -14.27|3|###

104| -14.36|119| -14.36|1|#

105| -14.30| 89| -14.30|1|#

106| -14.24| 71| -14.24|1|#

107| -14.18|181| -14.18|1|#

108| -14.17| 21| -14.17|1|#

109| -14.16| 30| -14.16|1|#

110| -14.01|135| -14.01|1|#

111| -14.00| 42| -14.00|1|#

112| -13.95|131| -13.95|1|#

113| -13.92| 46| -13.92|1|#

114| -13.90| 96| -13.90|1|#

115| -13.88| 31| -13.88|1|#

116| -13.86| 59| -13.86|1|#

117| -13.86|162| -13.86|1|#

118| -13.82|126| -13.82|1|#

119| -13.81| 80| -13.81|1|#

120| -13.78| 2| -13.78|1|#

121| -13.77| 76| -13.77|1|#

122| -13.77|113| -13.77|1|#

123| -13.76|128| -13.76|1|#

124| -13.73| 9| -13.73|1|#

125| -13.68|123| -13.68|1|#

126| -13.61|142| -13.61|1|#

127| -13.57|178| -13.57|1|#

128| -13.56| 8| -13.56|1|#

129| -13.55| 43| -13.55|1|#

130| -13.51|183| -13.51|1|#

131| -13.46|133| -13.46|1|#

132| -13.45|190| -13.45|1|#

133| -13.40| 58| -13.40|1|#

134| -13.27| 81| -13.27|1|#

135| -13.14| 68| -13.14|1|#

136| -12.74|184| -12.74|1|#

137| -12.54| 28| -12.54|1|#

____|______|_____|____|__|________________________

在200次实验中，发现的多元构象簇的数目＝33。

最可能的对接构象是RUN 100。3D结构的坐标：

MODEL 100

USER 试验数(Run)＝100

USER 簇级别(Cluster Rank)＝7

USER 该簇中的构像数目(Number of conformations in this cluster)

USER

USER 与参比结构的RMSD ＝69.370 A

USER

USER 估计的结合自由能＝-11.87 kcal/mol[＝(1)+(3)]

USER 估计的抑制常数，Ki ＝ +1.99e-09 [温度＝298.15 K]

USER

USER 终对接能＝-18.12 kcal/mol [＝(1)+(2)]

USER

USER (1)终分子间能量＝-17.16 kcal/mol

USER (2)配体的终内部能量＝ -0.95 kcal/mol

USER (3)扭转自由能＝ +5.29 kcal/mol

USER

USER DPF＝亮肽素.m-kollxnolp.veron.LGA.dpf

USER NEWDPF move 亮肽素veron.pdbq

USER NEWDPF about -0.505900 0.495000 0.067600

USER NEWDPF tran0 -10.274409 18.561162 69.988136

USER NEWDPF quat0 -0.001747 0.458661 0.888610 -86.011508

USER NEWDPF ndihe 19

USER NEWDPF dihe0 131.13 76.21 -46.43 -30.41 47.91 40.08 -47.79 -8.88 2.79 -56.83 177.71

65.72 -18.51 -6.48 -29.65 59.73 29.17 -38.92 -23.03

USER

USER x y z vdW Elec q RMS

ATOM 1 CA LEU A 2 -11.568 16.774 68.919 -0.48 -0.07 +0.185 69.370

ATOM 2 N LEU A 2 -11.573 16.702 70.358 -0.25 +0.22 -0.523 69.370

ATOM 3 HN LEU A 2 -12.456 16.741 70.814 +0.10 -0.11 +0.318 69.370

ATOM 4 C LEU A 1 -10.415 16.576 71.101 -0.51 -0.16 +0.354 69.370

ATOM 5 O LEU A 1 -9.320 16.319 70.566 -0.08 +0.13 -0.391 69.370

ATOM 6 CA LEU A 1 -10.557 16.897 72.612 -0.51 -0.07 +0.185 69.370

ATOM 7 N LEU A 1 -11.715 17.722 72.843 -0.27 +0.17 -0.523 69.370

ATOM 8 HN LEU A 1 -12.503 17.581 72.254 +0.10 -0.10 +0.319 69.370

ATOM 9 C ACE A -11.697 18.758 73.762 -0.57 -0.06 +0.362 69.370

ATOM 10 O ACE A -11.053 19.800 73.524 -0.14 +0.01 -0.401 69.370

ATOM 11 CA ACE A -12.469 18.568 75.044 -0.49 -0.01 +0.107 69.370

ATOM 12 CB LEU A 1 -10.601 15.553 73.369 -0.37 -0.00 +0.013 69.370

ATOM 13 CG LEU A 1 -9.344 15.354 74.205 -0.50 +0.00 -0.001 69.370

ATOM 14 CD1 LEU A 1 -9.744 15.091 75.643 -0.50 -0.00 +0.005 69.370

ATOM 15 CD2 LEU A 1 -8.481 14.227 73.674 -0.60 -0.01 +0.025 69.370

ATOM 16 CB LEU A 2 -12.748 16.032 68.252 -0.30 -0.01 +0.028 69.370

ATOM 17 CG LEU A 2 -12.276 14.854 67.412 -0.44 +0.00 -0.006 69.370

ATOM 18 CD1 LEU A 2 -13.172 13.657 67.667 -0.33 -0.01 +0.037 69.370

ATOM 19 CD2 LEU A 2 -12.264 15.187 65.934 -0.53 -0.01 +0.012 69.370

ATOM 20 C LEU A 2 -11.590 18.247 68.439 -0.51 -0.16 +0.352 69.370

ATOM 21 O LEU A 2 -12.232 19.145 69.024 -0.11 +0.24 -0.426 69.370

ATOM 22 N ARG A 3 -10.821 18.530 67.328 -0.34 +0.18 -0.508 69.370

ATOM 23 HN ARG A 3 -9.971 18.028 67.174 -0.16 -0.03 +0.330 69.370

ATOM 24 CA ARG A 3 -11.358 19.266 66.211 -0.61 -0.05 +0.110 69.370

ATOM 25 CB ARG A 3 -10.618 20.583 65.907 -0.71 -0.02 +0.037 69.370

ATOM 26 CG ARG A 3 -11.276 21.741 66.626 -0.77 -0.06 +0.078 69.370

ATOM 27 CD ARG A 3 -10.405 22.992 66.517 -0.84 -0.23 +0.191 69.370

ATOM 28 NE ARG A 3 -9.911 23.411 67.815 -0.57 +0.63 -0.455 69.370

ATOM 29 CZ ARG A 3 -8.576 23.569 68.105 -0.93 -0.65 +0.474 69.370

ATOM 30 HE ARG A 3 -10.595 23.620 68.516 -0.29 -0.59 +0.356 69.370

ATOM 31 NH2 ARG A 3 -8.195 23.992 69.362 -0.52 +0.70 -0.544 69.370

ATOM 32 HH2 ARG A 3 -8.579 23.573 70.179 -0.39 -0.43 +0.351 69.370

ATOM 33 HH2 ARG A 3 -7.528 24.721 69.475 -0.26 -0.65 +0.349 69.370

ATOM 34 NH1 ARG A 3 -7.612 23.309 67.156 -0.49 +0.82 -0.538 69.370

ATOM 35 HH1 ARG A 3 -7.750 23.572 66.206 -0.47 -0.84 +0.351 69.370

ATOM 36 HH1 ARG A 3 -6.768 22.842 67.400 -0.08 -0.38 +0.348 69.370

ATOM 37 C ARG A 3 -11.390 18.458 64.914 -0.66 -0.14 +0.322 69.370

ATOM 38 O ARG A 3 -12.422 18.174 64.314 -0.13 +0.10 -0.284 69.370

TER

ENDMDL

200种对接的构象的叠合图像显示于图18。

3.3.3 NPGB：

NPGB对接入两个接近的簇(1和2)，我们使用RUN177作为最可能的对接的构象。

对接直方图

簇级别|最低对接能|试验数|平均对接能|簇内数目|直方图

-ter | Docked | | Docked | in |

____|________|____|_______|____|__：__|____：____|_______：__|_______：_____

1 | -13.45 | 177 | -13.39 | 61

|#############################################################

2 | -13.44 | 28 | -13.34 | 77

|#############################################################################

3| -13.37| 72| -13.24| 5|#####

4| -13.36|100| -13.27| 9|#########

5| -13.36|105| -13.26| 9|#########

6| -13.31| 53| -13.23| 13|#############

7| -13.29| 88| -13.25| 8|########

8| -13.15|108| -13.15| 1|#

9| -13.15| 12| -13.15| 1|#

10| -13.05|121| -13.05| 1|#

11| -12.86| 23| -12.86| 1|#

12| -12.77| 35| -12.68| 3|###

13| -12.74| 59| -12.74| 1|#

14| -12.61|113| -12.61| 1|#

15| -12.53| 74| -12.53| 1|#

16| -12.48| 11| -12.46| 3|###

17| -12.36| 87| -12.36| 1|#

18| -12.33|146| -12.33| 1|#

19| -12.13|123| -12.02| 3|###

__|________|___|_____ ___|__|__________________________________________________________

在200次实验中，发现的多元构象簇的数目＝10。

最可能的对接的构象是RUN 177。3D结构的坐标：

MODEL 177

USER 试验数(Run)＝177

USER 簇级别(Cluster Rank)＝1

USER 该簇中的构像数目(Number ofconformations in this cluster)＝61

USER

USER 与参比结构的RMSD ＝70.012 A

USER

USER 估计的结合自由能＝ -12.15 kcal/mol [＝(1)+(3)]

USER 估计的抑制常数，Ki ＝ +1.24e-09 [温度＝298.15 K]

USER

USER 终对接能＝ -13.45 kcal/mol [＝(1)+(2)]

USER

USER (1)终分子间能量＝-13.70 kcal/mol

USER (2)配体的终内部能量＝ +0.25 kcal/mol

USER (3)扭转自由能＝ +1.56 kcal/mol

USER

USER DPF＝npgb.m-kollxnolp.LGA.dpf

USER NEWDPF move npgbveron.pdbq

USER NEWDPF about 1.154500-0.111300 0.079300

USER NEWDPF tran0 -9.638000 19.195219 65.019151

USER NEWDPF quat0 -0.271760 0.343534-0.898961-79.249333

USER NEWDPF ndihe 7

USER NEWDPF dihe0 98.42 -60.53 -80.53 -81.62 -13.01 113.12 126.32

USER

USER x y z vdW Elec q RMS

ATOM 1 A17<1> 0 -10.263 19.766 64.887 -0.62 +0.15 -0.246 70.012

ATOM 2 A18<1> 0 -8.881 19.775 64.908 -0.66 -0.10 +0.135 70.012

ATOM 3 A19<1> 0 -10.989 20.800 65.453 -0.49 -0.09 +0.154 70.012

ATOM 4 A20<1> 0 -8.216 20.829 65.507 -0.67 -0.06 +0.068 70.012

ATOM 5 A22<1> 0 -10.329 21.856 66.049 -0.60 -0.07 +0.067 70.012

ATOM 6 A24<1> 0 -8.946 21.859 66.074 -0.66 -0.25 +0.216 70.012

ATOM 7 C15<1> 0 -11.034 18.662 64.259 -0.74 -0.49 +1.029 70.012

ATOM 8 O16<1> 0 -10.869 18.291 63.128 -0.27 +0.32 -0.591 70.012

ATOM 9 O14<1> 0 -11.933 18.142 65.120 -0.07 +0.31 -0.815 70.012

ATOM 10 A3 <1> 0 -11.693 17.428 66.298 -0.42 -0.16 +0.395 70.012

ATOM 11 A4 <1> 0 -11.412 16.077 66.349 -0.45 -0.04 +0.062 70.012

ATOM 12 A2 <1> 0 -11.761 18.196 67.447 -0.41 -0.01 +0.013 70.012

ATOM 13 A5 <1> 0 -11.195 15.493 67.582 -0.45 -0.08 +0.148 70.012

ATOM 14 A6 <1> 0 -11.263 16.257 68.723 -0.43 -0.10 +0.270 70.012

ATOM 15 A1 <1> 0 -11.544 17.606 68.671 -0.41 -0.06 +0.145 70.012

ATOM 16 N11<1> 0 -11.036 15.634 70.009 -0.27 -0.06 +0.181 70.012

ATOM 17 O13<1> 0 -9.905 15.750 70.508 -0.13 +0.13 -0.374 70.012

ATOM 18 O12<1> 0 -11.993 15.030 70.525 +0.08 +0.11 -0.377 70.012

ATOM 19 N27<1> 0 -8.248 22.972 66.683 -0.40 +1.58 -1.001 70.012

ATOM 20 H28<1> 0 -7.796 23.623 66.071 -0.45 -1.07 +0.409 70.012

ATOM 21 C29<1> 0 -8.176 23.161 67.996 -0.93 -1.60 +1.353 70.012

ATOM 22 N33<1> 0 -7.070 22.823 68.649 -0.52 +0.84 -0.945 70.012

ATOM 23 N30<1> 0 -9.201 23.680 68.649 -0.59 +1.31 -0.946 70.012

ATOM 24 H31<1> 0 -9.551 24.586 68.410 -0.12 -0.67 +0.429 70.012

ATOM 25 H32<1> 0 -9.650 23.197 69.398 -0.70 -0.65 +0.406 70.012

ATOM 26 H34<1> 0 -6.995 22.917 69.641 -0.46 -0.34 +0.408 70.012

ATOM 27 H35<1> 0 -6.269 22.463 68.175 -0.30 -0.39 +0.407 70.012

TER

ENDMDL

200种对接的构象的叠合图像显示于图19。

多种性质可通过分析对接结果文件(*.dlg)获得。表18总结了主要的对接结果。

表18

	苯甲脒	亮肽素	NPGB
	苯甲脒	亮肽素	NPGB	试验	133	100	177
估计的结合自由能(kcal/mol)	-7.56	-11.87	-12.15	试验	133	100	177
估计的结合自由能(kcal/mol)	-7.56	-11.87	-12.15	估计的Ki(298K)	+2.86e-06	+1.99e-09	+1.24e-09
终停靠能(kcal/mol)	-7.40	-18.12	-13.45	估计的Ki(298K)	+2.86e-06	+1.99e-09	+1.24e-09

基于估计的结合自由能，可对所述抑制物进行分级。抑制物的强度与结合自由能成反比，因此最强的抑制物具有最低的结合能。

4.结论

MASP-2是补体外源凝集素途径的高度特异性的丝氨酸蛋白酶，其裂解C2和C4蛋白底物。本发明通过X线晶体学描述了MASP-2催化区域(CCP2-SP)的3D结构的resolution(见以上的实施例1)。在该实施例中，将X线结构用于insilico抑制物设计是有效的。我们测定了9种小分子量抑制物对MASP-2活性的影响。所述抑制物根据它们的试验测定的IC₅₀值分级，并选出三种抑制物用于in silico对接研究。所述抑制物根据它们的IC₅₀值选出：1.)非常强的抑制物(NPGB；IC₅₀＝229 nM)2.)相对强的抑制物，IC₅₀值在微摩尔范围(亮肽素；IC₅₀＝7，7μM)，和3)弱抑制物(苯甲脒；IC₅₀＝688μM)。我们比较了每种抑制物的IC₅₀值与计算的Ki值(见表19)。

表19

抑制物	IC₅₀测定的(M)	K_i计算的(M)
抑制物	IC₅₀测定的(M)	K_i计算的(M)	苯甲脒	0.68*10^-3	2.86*10^-6
亮肽素	7.67*10^-6	1.99*10^-9	苯甲脒	0.68*10^-3	2.86*10^-6
亮肽素	7.67*10^-6	1.99*10^-9	NPGB	0.22*10^-6	1.24*10^-9

对接方法的结果与实验室试验很好地一致。根据in silico结果，NPGB是最好的抑制物，具有最小的Ki值。对于亮肽素，计算稍大的Ki，但是对接结果仍显示较好的酶-抑制物相互作用。对于苯甲脒，对接方法支持试验结果，表明这种抑制物不是非常特异性一种MASP-2抑制物(Ki值比NPGB的该值大三个数量级)。

这些结果证实了MASP-2晶体结构适于in silico抑制物筛选和设计。

实施例7

表4包含一级序列为SEQ ID 1的氨基酸296-686的酶原MASP-2的结构坐标，所述一级序列中氨基酸R444突变成Q。

参考文献列表

Ambrus，G.，Gál，P.，Kojima，M.，Szilágyi，K.，Balczer，J.，Antal，J.，Gráf，L.，Laich，A.，Moffat，B.E.，Schwaeble，W.，Sim，R.B.and Závodszky，P.(2003)Natural substrates and inhibitors of mannan-bindinglectin-associated serine protease 1 and 2：A study on recombinant catalytic fragments.J. Immunol.，170，1374-1382.

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表3

IQ3X

TITLE 人MASP-2的催化区域的晶体结构(CRYSTALSTRUCTURE OF THE CATALYTIC REGION OF HUMAN MASP-2)

COMPND MOL_ID：1；

COMPND 2 MOLECULE：MANNAN-BINDING LECTIN SERINE PROTEASE 2；

COMPND 3 CHAIN：A，B；

COMPND 4 FRAGMENT：CCP2-SP；

COMPND 5 SYNONYM：MANNOSE-BINDING PROTEIN ASSOCIATED SERINE

COMPND 6 PROTEASE 2，MASP-2，MBL-ASSOCIATED SERINE PROTEASE 2；

COMPND 7 EC：3.4.21.-；

COMPND 8 ENGINEERED：YES

SOURCE MOL_ID：1；

SOURCE 2 ORGANISM_SCIENTIFIC：HOMO SAPIENS；

SOURCE 3 ORGANISM_COMMON：HUMAN；

SOURCE 4 GENE：MASP2；

SOURCE 5 EXPRESSION_SYSTEM：ESCHERICHIA COLI；

SOURCE 6 EXPRESSION_SYSTEM_COMMON：BACTERIA；

SOURCE 7 EXPRESSION_SYSTEM_STRAIN：BL21-DE3；

SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE：PLASMID；

SOURCE 9 EXPRESSION_SYSTEM_PLASMID：PET-17B

KEYWDS COMPLEMENT，SERINE PROTEASE，MODULAR STRUCTURE，HINGE

KEYWDS 2 BENDING，AUTOACTIVATION

EXPDTA X-RAY DIFFRACTION

AUTHOR V.HARMAT，P.GAL，J.KARDOS，K.SZILAGYI，G.AMBRUS，G.NARAY-SZABO，

AUTHOR 2 P.ZAVODSZKY

JRNL AUTH V.HARMAT，P.GAL，J.KARDOS，K.SZILAGYI，G.AMBRUS，

JRNL AUTH 2 G.NARAY-SZABO，P.ZAVODSZKY

JRNL TITL CRYSTAL STRUCTURE OF THE CATALYTIC REGION OF HUMAN

JRNL TITL 2 MANNOSE-BINDING LECTIN-ASSOCIATED SERINE PROTEASE-2

JRNL REF TO BE PUBLISHED

JRNL REFN

REMARK 1

REMARK 1 REFERENCE 1

REMARK 1 AUTH G.AMBRUS，P.GAL，M.KOJIMA，K.SZILAGYI，J.BALCZER，

REMARK 1 AUTH 2 J.ANTAL，L.GRAF，A.LAICH，B.E.MOFFAT，W.SCHWAELBE，

REMARK 1 AUTH 3 R.B.SIM.P.ZVODSZKY

REMARK 1 TITL NATURAL SUBSTRATES AND INHIBITORS OF

REMARK 1 TITL 2 MANNAN-BINDING LECTIN-ASSOCIATED SERINE PROTEASE 1

REMARK 1 TITL 3 AND 2：A STUDY ON RECOMBINANT CATALYTIC FRAGMENTS

REMARK 1 REF J.IMMUNOL. V.170 1374 2003

REMARK 1 REFN ASTM JOIMA3 US ISSN 0022-1767

REMARK 1 REFERENCE 2

REMARK 1 AUTH C.GABORIAUD，V.ROSSI，I.BALLY，G.J.ARLAUD，

REMARK 1 AUTH 2 J.C.FONTECILLA-CAMPS

REMARK 1 TITL CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN

REMARK 1 TITL 2 COMPLEMENT C1S：A SERINE PROTEASE WITH A HANDLE

REMARK 1 REF EMBO J. V.19 1755 2000

REMARK 1 REFN ASTM EMJODG UK ISSN 0261-4189

REMARK 2

REMARK 2 RESOLUTION.2.23 ANGSTROMS.

REMARK 3

REMARK 3 REFINEMENT.

REMARK 3 PROGRAM ：REFMAC 5.1.24

REMARK 3 AUTHORS ：MURSHUDOV，VAGIN，DODSON

REMARK 3

REMARK 3 REFINEMENT TARGET：MAXIMUM LIKELIHOOD

REMARK 3

REMARK 3 DATA USED IN REFINEMENT.

REMARK 3 RESOLUTION RANGE HIGH(ANGSTROMS) ：2.23

REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) ：50.64

REMARK 3 DATA CUTOFF (SIGMA(F)) ：0.000

REMARK 3 COMPLETENESS FOR RANGE (％) ：94.8

REMARK 3 NUMBER OF REFLECTIONS ：25664

REMARK 3

REMARK 3 FIT TO DATA USED IN REFINEMENT.

REMARK 3 CROSS-VALIDATION METHOD ：THROUGHOUT

REMARK 3 FREE R VALUE TEST SET SELECTION ：RANDOM

REMARK 3 R VALUE (WORKING+TEST SET)：0.176

REMARK 3 R VALUE (WORKING SET)：0.174

REMARK 3 FREE R VALUE ：0 224

REMARK 3 FREE R VALUE TEST SET SIZE (％)：5.000

REMARK 3 FREE R VALUE TEST SET COUNT ：1356

REMARK 3

REMARK 3 FITIN THE HIGHEST RESOLUTION BIN

REMARK 3 TOTAL NUMBER OF BINS USED ：20

REMARK 3 BIN RESOLUTION RANGE HIGH ：2.23

REMARK 3 BIN RESOLUTION RANGE LOW ：2.29

REMARK 3 REFLECTION IN BIN (WORKING SET)：1555

REMARK 3 BIN R VALUE (WORKING SET)：0.2330

REMARK 3 BIN FREE R VALUESET COUNT ：84

REMARK 3 BIN FREE R VALUE ：0.2730

REMARK 3

REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

REMARK 3 ALL ATOMS ：5232

REMARK 3

REMARK 3 B VALUES

REMARK 3 FROM WILSON PLOT (A**2)：23.90

REMARK 3 MEAN B VALUE (OVERALL，A**2)：18.11

REMARK 3 OVERALL ANISOTROPIC B VALUE

REMARK 3 B11(A**2)：-0.46000

REMARK 3 B22(A**2)：-0.70000

REMARK 3 B33(A**2)： 1.29000

REMARK 3 B12(A**2)： 0.18000

REMARK 3 B13(A**2)： 0.19000

REMARK 3 B23(A**2)：-0.26000

REMARK 3

REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.

REMARK 3 ESU BASED ON R VALUE (A)：0.415

REMARK 3 ESU BASED ON FREE R VALUE (A)：0.230

REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A)：0.166

REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD(A**2)：6.758

REMARK 3

REMARK 3 CORRELATION COEFFICIENTS.

REMARK 3 CORRELATION COEFFICIENT FO-FC ：0.945

REMARK 3 CORRELATION COEFFICIENT FO-FC FREE：0.910

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK 3 BOND LENGTHS REFINED ATOMS (A)： 4994； 0.006；0.021

REMARK 3 BOND LENGTHS OTHERS (A)： NULL； NULL；NULL

REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES)： 6789； 0.904；1.949

REMARK 3 BOND ANGLES OTHERS (DEGREES)： NULL； NULL；NULL

REMARK 3 TORSION ANGLES.PERIOD 1 (DEGREES)： 631； 5.139；5.000

REMARK 3 TORSION ANGLES，PERIOD 2 (DEGREES)： NULL； NULL；NULL

REMARK 3 TORSION ANGLES，PERIOD 3 (DEGREES)： NULL； NULL；NULL

REMARK 3 TORSION ANGLES，PERIOD 4 (DEGREES)： NULL； NULL；NULL

REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3)： 729； 0.058；0.200

REMARK 3 GENERAL PLANES REFINED ATOMS (A)： 3826； 0.003；0.020

REMARK 3 GENERALPLANES OTHERS (A)： NULL； NULL；NULL

REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A)： 2252； 0.218；0.300

REMARK 3 NON-BONDED CONTACTS OTHERS (A)： NULL； NULL；NULL

REMARK 3 NON-BONDED TORSION REFINED ATOMS (A)： NULL； NULL；NULL

REMARK 3 NON-BONDED TORSION OTHERS (A)： NULL； NULL；NULL

REMARK 3 H-BOND(X...Y)REFINED ATOMS (A)： 554； 0.199；0.500

REMARK 3 H-BOND(X...Y)OTHERS (A)： NULL； NULL；NULL

REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A)： NULL； NULL；NULL

REMARK 3 POTENTIAL METAL-ION OTHERS (A)： NULL； NULL；NULL

REMARK 3 SYMMETRY BDW REFINED ATOMS (A)： 100； 0.266；0.300

REMARK 3 SYMMETRY VDW OTHERS (A)： NULL； NULL；NULL

REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A)： 45； 0.191；0.500

REMARK 3 SYMMETRY H-BOND OTHERS (A)： NULL； NULL；NULL

REMARK 3

REMARK 3 ISOTROPIC THERMALFACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2)： 3137； 1.365；2.000

REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2)： 5017； 2.213；3.000

REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2)： 1857； 1.593；2.000

REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2)： 1772； 2.305；3.000

REMARK 3

REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK 3 RIGID-BOND RESTRAINTS (A**2)： NULL； NULL；NULL

REMARK 3 SPHERICITY；FREE ATOMS (A**2)： NULL； NULL；NULL

REMARK 3 SPHERICITY；BONDED ATOMS (A**2)： NULL； NULL；NULL

REMARK 3

REMARK 3 NCS RESTRAINTS STATISTICS

REMARK 3 NUMBER OF DIFFERENT NCS GROUPS：1

REMARK 3

REMARK 3 NCS GROUP NUMBER ：1

REMARK 3 CHAIN NAMES ：A B

REMARK 3 NUMBER OF COMPONENTS NCS GROUP：8

REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE

REMARK 3 1 A 434 A 438 1

REMARK 3 1 B 434 B 438 1

REMARK 3 2 A 445 A 490 1

REMARK 3 2 B 445 B 490 1

REMARK 3 3 A 492 A 542 1

REMARK 3 3 B 492 B 542 1

REMARK 3 4 A 544 A 554 1

REMARK 3 4 B 544 B 554 1

REMARK 3 5 A 557 A 596 1

REMARK 3 5 B 557 B 596 1

REMARK 3 6 A 598 A 602 1

REMARK 3 6 B 598 B 602 1

REMARK 3 7 A 605 A 629 1

REMARK 3 7 B 605 B 629 1

REMARK 3 8 A 631 A 686 1

REMARK 3 8 B 631 B 686 1

REMARK 3 GROUP CHAIN COUNT RMS WEIGHT

REMARK 3 TIGHT POSITIONAL 1 A (A)： 1819；0.04；0.05

REMARK 3 TIGHT THERMAL 1 A(A**2)： 1819；0.06；0.50

REMARK 3

REMARK 3 TLS DETAILS

REMARK 3 NUMBER OF TLS GROUPS ： 6

REMARK 3

REMARK 3 TLS GROUP：1

REMARK 3 NUMBER OF COMPONENTS GROUP：1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： A 434 A 686

REMARK 3 ORIGIN FOR THE GROUP (A)： -6.0830 15.2490 56.6890

REMARK 3 T TENSOR

REMARK 3 T11： 0.2266 T22： 0.2474

REMARK 3 T33： 0.2307 T12： -0.0085

REMARK 3 T13： 0.0065 T23： 0.0159

REMARK 3 L TENSOR

REMARK 3 L11： 1.0322 L22： 1.1034

REMARK 3 L33： 1.2303 L12： -0.2737

REMARK 3 L13： -0.1007 L23： 0.0994

REMARK 3 S TENSOR

REMARK 3 S11： 0.0105 S12： -0.0249 S13： 0.0365

REMARK 3 S21： -0 0092 S22： 0.0125 S23： 0.0121

REMARK 3 S31： -0.0439 S32： 0.0395 S33： -0.0229

REMARK 3

REMARK 3 TLS GROUP：2

REMARK 3 NUMBER OF COMPONENTS GROUP ：1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： B 434 B 686

REMARK 3 ORIGIN FOR THE GROUP(A)：-6.1510-18.3520 92.9570

REMARK 3 T TENSOR

REMARK 3 T11： 0.2303 T22： 0.2451

REMARK 3 T33： 0.2225 T12： -0.0156

REMARK 3 T13： -0.0084 T23： 0.0020

REMARK 3 L TENSOR

REMARK 3 L11： 1.1665 L22： 0.9940

REMARK 3 L33： 1.1194 L12： 0.1304

REMARK 3 L13： -0.0553 L23： 0.0097

REMARK 3 S TENSOR

REMARK 3 S11： 0.0063 S12： 0.0044 S13： 0.0229

REMARK 3 S21： 0.0109 S22： 0.0129 S23： 0.0118

REMARK 3 S31： 0.0350 S32： 0.0336 S33： -0.0192

REMARK 3

REMARK 3 TLS GROUP：3

REMARK 3 NUMBER OF COMPONENTS GROUP：1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： A 405 A 428

REMARK 3 ORIGIN FOR THE GROUP(A)： 12.0030 -8.0150 31.0510

REMARK 3 T TENSOR

REMARK 3 T11： 0.3863 T22： 0.1237

REMARK 3 T33： 0.2793 T12： 0.1222

REMARK 3 T13： 0.0281 T23： 0.0495

REMARK 3 L TENSOR

REMARK 3 L11： 4.1175 L22： 23.8488

REMARK 3 L33： 22.7842 L12： -7.5125

REMARK 3 L13： 0.6778 L23： 0.0715

REMARK 3 S TENSOR

REMARK 3 S11： 0.2186 S12： -0.4958 S13： 0.4766

REMARK 3 S21： -0.2423 S22： -0.0865 S23： -2.4778

REMARK 3 S31： 0.9787 S32： 0.4213 S33： -0.1320

REMARK 3

REMARK 3 TLS GROUP：4

REMARK 3 NUMBER OF COMPONENTS GROUP：1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： B 405 B 428

REMARK 3 ORIGIN FOR THE GROUP(A)： 8.1990 4.3070 119.8090

REMARK 3 T TENSOR

REMARK 3 T11： 0.2301 T22： 0.2582

REMARK 3 T33： 0.2179 T12： -0.0879

REMARK 3 T13： -0.0087 T23： 0.0089

REMARK 3 L TENSOR

REMARK 3 L11： 15.1522 L22： 128.1602

REMARK 3 L33： 47.0754 L12： 25.3254

REMARK 3 L13： 0.9925 L23： 27.5758

REMARK 3 S TENSOR

REMARK 3 S11： 0.7151 S12： 0.5356 S13： 0.2313

REMARK 3 S21： 1.0003 S22： -0.4254 S23： -2.9066

REMARK 3 S31： -0.7635 S32： 1.7232 S33： -0.2897

REMARK 3

REMARK 3 TLS GROUP：5

REMARK 3 NUMBER OF COMPONENTS GROUP： 2

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： A 362 A 404

REMARK 3 RESIDUE RANGE： A 429 A 431

REMARK 3 ORIGIN FOR THE GROUP(A)： 4.9190 -3.7720 26.5950

REMARK 3 T TENSOR

REMARK 3 T11： 0 5095 T22： 0.0908

REMARK 3 T33： 0.0210 T12： 0.0379

REMARK 3 T13： 0.0276 T23： -0.0202

REMARK 3 L TENSOR

REMARK 3 L11： 4.1952 L22： 11.0052

REMARK 3 L33： 1.44058 L12： -3.9835

REMARK 3 L13： -3.9060 L23： 7.9041

REMARK 3 S TENSOR

REMARK 3 S11： 0.3152 S12： -0.0332 S13： 0.0689

REMARK 3 S21： -0.8435 S22： -0.3815 S23： -0.0240

REMARK 3 S31： 0.0836 S32： -0.4428 S33： 0.0662

REMARK 3

REMARK 3 TLS GROUP：6

REMARK 3 NUMBER OF COMPONENTS GROUP ： 2

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： B 366 B 404

REMARK 3 RESIDUE RANGE： B 429 B 431

REMARK 3 ORIGIN FOR THE GROUP(A)： 1.4060 -1.5390 122.9040

REMARK 3 T TENSOR

REMARK 3 T11： 0.7235 T22： 0.3939

REMARK 3 T33： 0.0728 T12： -0.2029

REMARK 3 T13： -0.0328 T23： -0.1397

REMARK 3 L TENSOR

REMARK 3 L11： 0.7816 L22： 23.9947

REMARK 3 L33： 16.5612 L12： 2.5428

REMARK 3 L13： 0.1409 L23： 6.2470

REMARK 3 S TENSOR

REMARK 3 S11： 0.4456 S12： -0.3780 S13： -0.0219

REMARK 3 S21： 2.1960 S22： -0.5222 S23： 0.1685

REMARK 3 S31： -1.4606 S32： 0.7013 S33： 0.0767

REMARK 3

REMARK 3 BULK SOLVENT MODELLING.

REMARK 3 METHOD USED：BABINET MODEL WITH MASK

REMARK 3 PARAMETERS FOR MASK CALCULATION

REMARK 3 VDW PROBE RADIUS ：1.40

REMARK 3 ION PROBE RADIUS ：0.80

REMARK 3 SHRINKAGE RADIUS ：0.80

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS：NULL

REMARK 4

REMARK 4 1Q3X COMPLIES WITH FORMAT V.2.3，09-JULY-1998

REMARK 100

REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-AUG-2003.

REMARK1 00 THE RCSB ID CODE IS RCSB019884.

REMARK 200

REMARK 200 EXPERIMENTAL DETAILS

REMARK 200 EXPERIMENT TYPE ：X-RAY DIFFRACTION

REMARK 200 DATE OF DATA COLLECTION ：14-DEC-2001

REMARK 200 温度 (KELVIN)：100.0

REMARK 200 PH ：7.50

REMARK 200 NUMBER OF CRYSTALS USED ：1

REMARK 200

REMARK 200 SYNCHROTRON (Y/N) ：Y

REMARK 200 RADIATION SOURCE ：LURE

REMARK 200 BEAMLINE ：DW32

REMARK 200 X-RAY GENERATOR MODEL ：NULL

REMARK 200 MONOCHROMATIC OR LAUE (M/L) ：M

REMARK 200 WAVELENGTH OR RANGE (A) ： 0.9474

REMARK 200 MONOCHROMATOR ： NULL

REMARK 200 OPTICS ： MIRRORS

REMARK 200

REMARK 200 DETECTOR TYPE ： IMAGE PLATE

REMARK 200 DETECTOR MANUFACTURER ： MARRESEARCH

REMARK 200 INTENSITY-INTEGRATION SOFTWARE：MOSFLM

REMARK 200 DATA SCALING SOFTWARE ： SCALA

REMARK 200

REMARK 200 NUMBER OF UNIQUE REFLECTIONS ： 27022

REMARK 200 RESOLUTION RANGE HIGH (A)： 2.230

REMARK 200 RESOLUTION RANGE LOW (A)： 50.640

REMARK 200 REJECTION CRITERIA (SIGMA(I))： 0.000

REMARK 200

REMARK 200 OVERALL.

REMARK 200 COMPLETENESS FOR RANGE (％)： 94.8

REMARK 200 DATA REDUNDANCY ： 1.800

REMARK 200 R MERGE (I)： 0.08300

REMARK 200 R SYM (I)： NULL

REMARK 200 <I/SIGMA(I)>FOR THE DATA SET ： 7.6000

REMARK 200

REMARK 200 IN THEHIGHEST RESOLUTION SHELL.

REMARK 200 HIGHEST RESOLUTION SHELL，RANGE HIGH (A)：2.23

REMARK 200 HIGHEST RESOLUTION SHELL，RANGE LOW (A)：2.29

REMARK 200 COMPLETENESS FOR SHELL (％)：74.3

REMARK 200 DATA REDUNDANCY IN SHELL ：1.60

REMARK 200 R MERGE FOR SHELL (I)：0.25500

REMARK 200 R SYM FOR SHELL (I)：NULL

REMARK 200 <I/SIGMA(I)>FOR SHELL ：2.900

REMARK 200

REMARK 200 DIFFRACTION PROTOCOL：SINGLE WAVELENGTH

REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE：MOLECULAR REPLACEMENT

REMARK 200 SOFTWARE USED： BEAST

REMARK 200 STARTING MODEL：PDB ENTRY IELV

REMARK 200

REMARK 200 REMARK： NULL

REMARK 280

REMARK 280 CRYSTAL

REMARK 280 SOLVENT CONTENT， VS (％)：NULL

REMARK 280 MATTHEWS COEFFICIENT，VM(ANGSTROMS**3/DA)：NULL

REMARK 280

REMARK 280 CRYSTALLIZATION CONDITIONS：PEG 6000，SODIUM CHLORIDE，

REMARK 280 GLYCEROL，TRIS-HCL，PH 7.5，VAPOR DIFFUSION，HANGING DROP，

REMARK 280 温度293K，PH 7.50

REMARK 290

REMARK 290 CRYSTALLOGRAPHIC SYMMETRY

REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP： P 1

REMARK 290

REMARK 290 SYMOP SYMMETRY

REMARK 290 NNNMMM OPERATOR

REMARK 290 1555 X，Y，Z

REMARK 290

REMARK 290 WHERE NNN->OPERATOR NUMBER

REMARK 290 MMM->TRANSLATION VECTOR

REMARK 290

REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS

REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM

REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY

REMARK 290 RELATED MOLECULES

REMARK 290 SMTRY1 1 1.000000 0 000000 0.000000 0.00000

REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000

REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000

REMARK 290

REMARK 290 REMARK： NULL

REMARK 300

REMARK 300 BIOMOLECULE： 1，2

REMARK 300 THIS ENTRY CONTAINSTHE CRYSTALLOGRAPHIC ASYMMETRIC UNIT

REMARK 300 WHICH CONSISTS OF 2 CHAIN(S).SEE REMARK 350 FOR

REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).

REMARK 350

REMARK 350 GENERATING THE BIOMOLECULE

REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN

REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE

REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS

REMARK 350 GIVEN BELOW.BOTH NON-CRYSTALLOGRAPHIC AND

REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN

REMARK 350

REMARK 350 BIOMOLECULE： 1

REMARK 350 APPLY THE FOLLOWING TO CHAINS：A

REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000

REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000

REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000

REMARK 350 BIOMOLECULE：2

REMARK 350 APPLY THE FOLLOWING TO CHAINS：B

REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000

REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000

REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000

REMARK 465

REMARK 465 MISSING RESIDUES

REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE

REMARK 465 EXPERIMENT.(M＝MODEL NUMBER；RES＝RESIDUE NAME；C＝CHAIN

REMARK 465 IDENTIFIER；SSSEQ＝SEQUENCE NUMBER；I＝INSERTION CODE)

REMARK 465

REMARK 465 M RES C SSSEQI

REMARK 465 ALA A 359

REMARK 465 SER A 360

REMARK 465 MET A 361

REMARK 465 THR A 441

REMARK 465 GLY A 442

REMARK 465 GLY A 443

REMARK 465 ARG A 444

REMARK 465 ALA B 359

REMARK 465 SER B 360

REMARK 465 MET B 361

REMARK 465 THR B 362

REMARK 465 ILE B 363

REMARK 465 VAL B 364

REMARK 465 ASP B 365

REMARK 465 GLU B 413

REMARK 465 ALA B 414

REMARK 465 ASP B 415

REMARK 465 GLY B 442

REMARK 465 GLY B 443

REMARK 465 ARG B 444

REMARK 470

REMARK 470 MISSING ATOM

REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M＝MODEL NUMBER；

REMARK 470 RES＝RESIDUE NAME；C＝CHAIN IDENTIFIER；SSEQ＝SEQUENCE NUMBER；

REMARK 470 I＝INSERTION CODE)：

REMARK 470 M RES CSSEQI ATOMS

REMARK 470 VAL A 364 CG1 CG2

REMARK 470 GLU A 398 CG CD OE1 OE2

REMARK 470 LYS A 409 CG CD CE NZ

REMARK 470 SER A 421 OG

REMARK 470 LYS A 422 CE NZ

REMARK 470 THR A 440 OG1 CG2

REMARK 470 LYS A 556 CG CD CE NZ

REMARK 470 ILE B 380 CG1 CG2 CD1

REMARK 470 VAL B 385 CG1 CG2

REMARK 470 TYR B 388 CB CG CD1 CD2 CE1 CE2 CZ

REMARK 470 TYR B 388 OH

REMARK 470 LYS B 389 CB CG CD CE NZ

REMARK 470 ALA B 390 CB

REMARK 470 VAL B 391 CB CG1 CG2

REMARK 470 LYS B 409 CB CG CD CE NZ

REMARK 470 PHE B 417 CG CD1 CD2 CE1 CE2 CZ

REMARK 470 SER B 421 OG

REMARK 470 LYS B 422 CG CD CE NZ

REMARK 470 LYS B 425 CG CD CE NZ

REMARK 470 LYS B 556 CE NZ

REMARK 470 ARG B 609 CG CD NE CZ NH1 NH2

REMARK 500

REMARK 500 GEOMETRY AND STEREOCHEMI STRY

REMARK 500 SUBTOPIC：COVALENT BOND LENGTHS

REMARK 500

REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES

REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE

REMARK 500 THAN 6*RMSD(M＝MODEL NUMBER；RES＝RESIDUE NAME；C＝CHAIN

REMARK 500 IDENTIFIER；SSEQ＝SEQUENCE NUMBER；I＝INSERTION CODE).

REMARK 500

REMARK 500 STANDARD TABLE：

REMARK 500 FORMAT：(10X，I3，1X，2(A3，1X，A1，I4，A1，1X，A4，3X)，F6 3)

REMARK 500

REMARK 500 EXPECTED VALUES：ENGH AND HUBER，1991

REMARK 500

REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION

REMARK 500 MET A 499 SD MET A 499 CE -0.046

REMARK 500 ARG A 555 CG ARG A 555 CD 0.039

REMARK 500 MET A 562 SD MET A 562 CE 0.039

REMARK 500 MET A 586 SD MET A 586 CE -0.054

REMARK 500 ALA B 390 C VAL B 391 N 0.055

REMARK 500 MET B 499 SD MET B 499 CE -0.062

REMARK 500 MET B 586 SD MET B 586 CE -0.086

REMARK 500 ALA B 636 CA ALA B 636 CB 0.036

REMARK 500

REMARK 500 GEOMETRY AND STEREOCHEMISTRY

REMARK 500 SUBTOPIC：COVALENT BOND ANGLES

REMARK 500

REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES

REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE

REMARK 500 THAN 6*RMSD(M＝MODEL NUMBER；RES＝RESIDUE NAME；C＝CHAIN

REMARK 500 IDENTIFIER；SSEQ＝SEQUENCE NUMBER；I＝INSERTION CODE).

REMARK 500

REMARK 500 STANDARD TABLE：

REMARK 500 FORMAT：(10X，I3，1X，A3，1X，A1，I4，A1，3(1X，A4，2X)，12X，F5.1)

REMARK 500

REMARK 500 EXPECTED VALUES：ENGH AND HUBER，1 99 1

REMARK 500

REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3

REMARK 500 THR B 549 OG1 - CB - CG2 ANGL DEV＝-7.1 DEGREES

REMARK 525

REMARK 525 SOLVENT

REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED

REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE

REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE(M＝MODEL

REMARK 525 NUMBER；RES＝RESIDUE NAME；C＝CHAIN IDENTIFIER；SSEQ＝SEQUENCE

REMARK 525 NUMBER； I＝INSERTION CODE)：

REMARK 525

REMARK 525 M RES CSSEQI

REMARK 525 HOH 295 DISTANCE＝5 29 ANGSTROMS

DBREF 1Q3X A 359 686 SWS O00187 MAS2_HUMAN 363 686

DBREF 1Q3X B 359 686 SWS O00187 MAS2_HUMAN 363 686

SEQADV 1Q3X ALA A 359 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X SER A 360 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X MET A 361 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X THR A 362 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X ALA B 359 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X SER B 360 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X MET B 361 SWS O00187 CLONING ARTIFACT

SEQADV 1Q3X THR B 362 SWS O00187 CLONING ARTIFACT

SEQRES 1 A 328 ALA SER MET THR ILE VAL ASP CYS GLY PRO PRO ASP ASP

SEQRES 2 A 328 LEU PRO SER GLY ARG VAL GLU TYR ILE THR GLY PRO GLY

SEQRES 3 A 328 VAL THR THR TYR LYS ALA VAL ILE GLN TYR SER CYS GLU

SEQRES 4 A 328 GLU THR PHE TYR THR MET LYS VAL ASN ASP GLY LYS TYR

SEQRES 5 A 328 VAL CYS GLU ALA ASP GLY PHE TRP THR SER SER LYS GLY

SEQRES 6 A 328 GLU LYS SER LEU PRO VAL CYS GLU PRO VAL CYS GLY LEU

SEQRES 7 A 328 SER ALA ARG THR THR GLY GLY ARG ILE TYR GLY GLY GLN

SEQRES 8 A 328 LYS ALA LYS PRO GLY ASP PHE PRO TRP GLN VAL LEU ILE

SEQRES 9 A 328 LEU GLY GLY THR THR ALA ALA GLY ALA LEU LEU TYR ASP

SEQRES 10 A 328 ASN TRP VAL LEU THR ALA ALA HIS ALA VAL TYR GLU GLN

SEQRES 11 A 328 LYS HIS ASP ALA SER ALA LEU ASP ILE ARG MET GLY THR

SEQRES 12 A 328 LEU LYS ARG LEU SER PRO HIS TYR THR GLN ALA TRP SER

SEQRES 13 A 328 GLU ALA VAL PHE ILE HIS GLU GLY TYR THR HIS ASP ALA

SEQRES 14 A 328 GLY PHE ASP ASN ASP ILE ALA LEU ILE LYS LEU ASN ASN

SEQRES 15 A 328 LYS VAL VAL ILE ASN SER ASN ILE THR PRO ILE CYS LEU

SEQRES 16 A 328 PRO ARG LYS GLU ALA GLU SER PHE MET ARG THR ASP ASP

SEQRES 17 A 328 ILE GLY THR ALA SER GLY TRP GLY LEU THR GLN ARG GLY

SEQRES 18 A 328 PHE LEU ALA ARG ASN LEU MET TYR VAL ASP ILE PRO ILE

SEQRES 19 A 328 VAL ASP HIS GLN LYS CYS THR ALA ALA TYR GLU LYS PRO

SEQRES 20 A 328 PRO TYR PRO ARG GLY SER VAL THR ALA ASN MET LEU CYS

SEQRES 21 A 328 ALA GLY LEU GLU SER GLY GLY LYS ASP SER CYS ARG GLY

SEQRES 22 A 328 ASP SER GLY GLY ALA LEU VAL PHE LEU ASP SER GLU THR

SEQRES 23 A 328 GLU ARG TRP PHE VAL GLY GLY ILE VAL SER TRP GLY SER

SEQRES 24 A 328 MET ASN CYS GLY GLU ALA GLY GLN TYR GLY VAL TYR THR

SEQRES 25 A 328 LYS VAL ILE ASN TYR ILE PRO TRP ILE GLU ASN ILE ILE

SEQRES 26 A 328 SER ASP PHE

SEQRES 1 B 328 ALA SER MET THR ILE VAL ASP CYS GLY PRO PRO ASP ASP

SEQRES 2 B 328 LEU PRO SER GLY ARG VAL GLU TYR ILE THR GLY PRO GLY

SEQRES 3 B 328 VAL THR THR TYR LYS ALA VAL ILE GLN TYR SER CYS GLU

SEQRES 4 B 328 GLU THR PHE TYR THR MET LYS VAL ASN ASP GLY LYS TYR

SEQRES 5 B 328 VAL CYS GLU ALA ASP GLY PHE TRP THR SER SER LYS GLY

SEQRES 6 B 328 GLU LYS SER LEU PRO VAL CYS GLU PRO VAL CYS GLY LEU

SEQRES 7 B 328 SER ALA ARG THR THR GLY GLY ARG ILE TYR GLY GLY GLN

SEQRES 8 B 328 LYS ALA LYS PRO GLY ASP PHE PRO TRP GLN VAL LEU ILE

SEQRES 9 B 328 LEU GLY GLY THR THR ALA ALA GLY ALA LEU LEU TYR ASP

SEQRES 10 B 328 ASN TRP VAL LEU THR ALA ALA HIS ALA VAL TYR GLU GLN

SEQRES 11 B 328 LYS HIS ASP ALA SER ALA LEU ASP ILE ARG MET GLY THR

SEQRES 12 B 328 LEU LYS ARG LEU SER PRO HIS TYR THR GLN ALA TRP SER

SEQRES 13 B 328 GLU ALA VAL PHE ILE HIS GLU GLY TYR THR HIS ASP ALA

SEQRES 14 B 328 GLY PHE ASP ASN ASP ILE ALA LEU ILE LYS LEU ASN ASN

SEQRES 15 B 328 LYS VAL VAL ILE ASN SER ASN ILE THR PRO ILE CYS LEU

SEQRES 16 B 328 PRO ARG LYS GLU ALA GLU SER PHE MET ARG THR ASP ASP

SEQRES 17 B 328 ILE GLY THR ALA SER GLY TRP GLY LEU THR GLN ARG GLY

SEQRES 18 B 328 PHE LEU ALA ARG ASN LEU MET TYR VAL ASP ILE PRO ILE

SEQRES 19 B 328 VAL ASP HIS GLN LYS CYS THR ALA ALA TYR GLU LYS PRO

SEQRES 20 B 328 PRO TYR PRO ARG GLY SER VAL THR ALA ASN MET LEU CYS

SEQRES 21 B 328 ALA GLY LEU GLU SER GLY GLY LYS ASP SER CYS ARG GLY

SEQRES 22 B 328 ASP SER GLY GLY ALA LEU VAL PHE LEU ASP SER GLU THR

SEQRES 23 B 328 GLU ARG TRP PHE VAL GLY GLY ILE VAL SER TRP GLY SER

SEQRES 24 B 328 MET ASN CYS GLY GLU ALA GLY GLN TYR GLY VAL TYR THR

SEQRES 25 B 328 LYS VAL ILE ASN TYR ILE PRO TRP ILE GLU ASN ILE ILE

SEQRES 26 B 328 SER ASP PHE

HET NA 800 1

HET NA 850 1

HET GOL 700 6

HET GOL 701 6

HET GOL 702 6

HET GOL 703 6

HET GOL 750 6

HET GOL 751 6

HET GOL 754 6

HENAM NA SODIUM ION

HETNAM GOL GLYCEROL

FORMUL 3 NA 2(NA1 1+)

FORMUL 5 GOL 7(C3 H8 O3)

FORMUL 12 HOH *362(H2 O1)

HELIX 1 1 ALA A 481 HIS A 490 1 10

HELIX 2 2 ARG A 555 MET A 562 5 8

HELIX 3 3 ASP A 594 TYR A 602 1 9

HELIX 4 4 TYR A 675 PHE A 686 1 12

HELIX 5 5 ALA B 481 HIS B 490 1 10

HELIX 6 6 ARG B 555 MET B 562 5 8

HELIX 7 7 ASP B 594 TYR B 602 1 9

HELIX 8 8 TYR B 675 PHE B 686 1 12

SHEET 1 A 4 GLY A 375 TYR A 379 O

SHEET 2 A 4 VAL A 391 CYS A 396-1 O GLN A 393 N GLU A 378

SHEET 3 A 4 LYS A 409 CYS A 412-1 O TYR A 410 N ILE A 392

SHEET 4 A 4 TRP A 418 SER A 420-1 O THR A 419 N VAL A 411

SHEET 1 B 2 TYR A 401 LYS A 404 O

SHEET 2 B 2 VAL A 429 PRO A 432-1 O VAL A 429 N LYS A 404

SHEET 1 C 8 GLN A 449 LYS A 450 O

SHEET 2 C 8 MET A 586 VAL A 593-1 O TYR A 587 N GLN A 449

SHEET 3 C 8 MET A 616 ALA A 619-1 O CYS A 618 N VAL A 593

SHEET 4 C 8 GLY A 667 LYS A 671-1 O TYR A 669 N LEU A 617

SHEET 5 C 8 ARG A 646 TRP A 655-1 N TRP A 655 O VAL A 668

SHEET 6 C 8 ALA A 636 ASP A 641-1 N LEU A 637 O GLY A 651

SHEET 7 C 8 ILE A 567 GLY A 572-1 N THR A 569 O VAL A 638

SHEET 8 C 8 MET A 586 VAL A 593-1 O ILE A 590 N GLY A 568

SHEET 1 D 7 GLN A 459 ILE A 462 O

SHEET 2 D 7 ALA A 468 LEU A 473-1 O ALA A 468 N ILE A 462

SHEET 3 D 7 TRP A 477 THR A 480-1 O LEU A 479 N ALA A 471

SHEET 4 D 7 ALA A 534 LEU A 538-1 O ILE A 536 N VAL A 478

SHEET 5 D 7 THR A 510 ILE A 519-1 N PHE A 518 O LEU A 535

SHEET 6 D 7 ASP A 496 MET A 499-1 N ILE A 497 O ALA A 512

SHEET 7 D 7 GLN A 459 ILE A 462-1 N LEU A 461 O ARG A 498

SHEET 1 E 4 GLY B 375 TYR B 379 O

SHEET 2 E 4 VAL B 391 CYS B 396-1 O SER B 395 N ARG B 376

SHEET 3 E 4 LYS B 409 VAL B 411-1 O TYR B 410 N ILE B 392

SHEET 4 E 4 THR B 419 SER B 420-1 O THR B 419 N VAL B 411

SHEET 1 F 2 TYR B 401 LYS B 404 O

SHEET 2 F 2 VAL B 429 PRO B 432-1 O GLU B 431 N THR B 402

SHEET 1 G 8 GLN B 449 LYS B 450 O

SHEET 2 G 8 MET B 586 VAL B 593-1 O TYR B 587 N GLN B 449

SHEET 3 G 8 MET B 616 ALA B 619-1 O CYS B 618 N VAL B 593

SHEET 4 G 8 GLY B 667 LYS B 671-1 O TYR B 669 N LEU B 617

SHEET 5 G 8 ARG B 646 TRP B 655-1 N TRP B 655 O VAL B 668

SHEET 6 G 8 ALA B 636 ASP B 641-1 N LEU B 637 O GLY B 651

SHEET 7 G 8 ILE B 567 GLY B 572-1 N THR B 569 O VAL B 638

SHEET 8 G 8 MET B 586 VAL B 593-1 O ILE B 590 N GLY B 568

SHEET 1 H 7 GLN B 459 ILE B 462 O

SHEET 2 H 7 ALA B 468 LEU B 473-1 O ALA B 468 N ILE B 462

SHEET 3 H 7 TRP B 477 THR B 480-1 O LEU B 479 N ALA B 471

SHEET 4 H 7 ALA B 534 LEU B 538-1 O ILE B 536 N VAL B 478

SHEET 5 H 7 THR B 510 ILE B 519-1 N PHE B 518 O LEU B 535

SHEET 6 H 7 ASP B 496 MET B 499-1 N MET B 499 O THR B 510

SHEET 7 H 7 GLN B 459 ILE B 462-1 N LEU B 461 O ARG B 498

SSBOND 1 CYS A 366 CYS A 412

SSBOND 2 CYS A 396 CYS A 430

SSBOND 3 CYS A 434 CYS A 552

SSBOND 4 CYS A 598 CYS A 618

SSBOND 5 CYS A 629 CYS A 660

SSBOND 6 CYS B 366 CYS B 412

SSBOND 7 CYS B 396 CYS B 430

SSBOND 8 CYS B 434 CYS B 552

SSBOND 9 CYS B 598 CYS B 618

SSBOND 10 CYS B 629 CYS B 660

CISPEP 1 PRO A 605 PRO A 606 0 7.16

CISPEP 2 PRO B 605 PRO B 606 0 6.90

CRYST1 40.950 41.521 102.994 96.44 91.77 119.52 P 1 2

ORIGX1 1.000000 0.000000 0.000000 0.00000

ORIGX2 0.000000 1.000000 0.000000 0.00000

ORIGX3 0.000000 0.000000 1.000000 0.00000

SCALE1 0.024420 0.013827 0.002810 0.00000

SCALE2 0.000000 0.027677 0.004098 0.00000

SCALE3 0.000000 0.000000 0.009820 0.00000

ATOM 1 N THR A 362 11.836 -25.090 17.152 1.00 50.01 N

ATOM 2 CA THR A 362 11.752 -25.409 18.605 1.00 50.13 C

ATOM 3 C THR A 362 11.922 -24.151 19.454 1.00 49.45 C

ATOM 4 O THR A 362 12.069 -24.231 20.675 1.00 48.77 O

ATOM 5 CB THR A 362 12.811 -26.462 18.996 1.00 50.73 C

ATOM 6 OG1 THR A 362 14.041 -25.808 19.331 1.00 50.91 O

ATOM 7 CG2 THR A 362 13.186 -27.323 17.794 1.00 51.16 C

ATOM 8 N ILE A 363 11.897 -22.993 18.799 1.00 48.38 N

ATOM 9 CA ILE A 363 12.080 -21.717 19.485 1.00 47.95 C

ATOM 10 C ILE A 363 10.997 -21.473 20.536 1.00 46.39 C

ATOM 11 O ILE A 363 9.847 -21.882 20.366 1.00 46.67 O

ATOM 12 CB ILE A 363 12.131 -20.552 18.472 1.00 48.53 C

ATOM 13 CG1 ILE A 363 10.717 -20.127 18.065 1.00 48.96 C

ATOM 14 CG2 ILE A 363 12.957 -20.943 17.250 1.00 49.42 C

ATOM 15 CD1 ILE A 363 10.674 -19.205 16.864 1.00 49.06 C

ATOM 16 N VAL A 364 11.377 -20.812 21.626 1.00 43.96 N

ATOM 17 CA VAL A 364 10.455 -20.550 22.726 1.00 41.82 C

ATOM 18 C VAL A 364 9.550 -19.351 22.439 1.00 39.71 C

ATOM 19 O VAL A 364 9.956 -18.397 21.777 1.00 39.12 O

ATOM 20 CB VAL A 364 11.208 -20.318 24.052 1.00 41.87 C

ATOM 21 N ASP A 365 8.321 -19.417 22.942 1.00 37.81 N

ATOM 22 CA ASP A 365 7.343 -18.348 22.781 1.00 36.05 C

ATOM 23 C ASP A 365 6.972 -17.747 24.138 1.00 35.45 C

ATOM 24 O ASP A 365 6.370 -18.418 24.979 1.00 34.71 O

ATOM 25 CB ASP A 365 6.089 -18.881 22.082 1.00 35.83 C

ATOM 26 CG ASP A 365 5.251 -17.779 21.463 1.00 35.44 C

ATOM 27 OD1 ASP A 365 5.476 -16.600 21.795 1.00 34.58 O

ATOM 28 OD2 ASP A 365 4.343 -17.995 20.634 1.00 36.08 O

ATOM 29 N CYS A 366 7.333 -16.482 24.347 1.00 34.40 N

ATOM 30 CA CYS A 366 7.022 -15.794 25.599 1.00 33.63 C

ATOM 31 C CYS A 366 5.531 -15.468 25.684 1.00 33.60 C

ATOM 32 O CYS A 366 5.026 -15.084 26.746 1.00 33.07 O

ATOM 33 CB CYS A 366 7.849 -14.509 25.738 1.00 32.92 C

ATOM 34 SG CYS A 366 9.634 -14.732 25.962 1.00 32.22 S

ATOM 35 N GLY A 367 4.836 -15.621 24.558 1.00 33.33 N

ATOM 36 CA GLY A 367 3.416 -15.326 24.470 1.00 34.49 C

ATOM 37 C GLY A 367 3.136 -13.833 24.486 1.00 36.04 C

ATOM 38 O GLY A 367 4.051 -13.023 24.342 1.00 36.03 O

ATOM 39 N PRO A 368 1.870 -13.466 24.660 1.00 37.13 N

ATOM 40 CA PRO A 368 1.482 -12.055 24.781 1.00 36.72 C

ATOM 41 C PRO A 368 2.034 -11.427 26.057 1.00 36.94 C

ATOM 42 O PRO A 368 2.063 -12.075 27.104 1.00 36.46 O

ATOM 43 CB PRO A 368 -0.049 -12.113 24.844 1.00 36.94 C

ATOM 44 CG PRO A 368 -0.411 -13.478 24.334 1.00 37.65 C

ATOM 45 CD PRO A 368 0.714 -14.376 24.741 1.00 37.40 C

ATOM 46 N PRO A 369 2.472 -10.177 25.969 1.00 37.37 N

ATOM 47 CA PRO A 369 2.978 -9.453 27.139 1.00 38.52 C

ATOM 48 C PRO A 369 1.898 -9.312 28.207 1.00 39.41 C

ATOM 49 O PRO A 369 0.709 -9.267 27.872 1.00 39.85 O

ATOM 50 CB PRO A 369 3.330 -8.075 26.569 1.00 38.24 C

ATOM 51 CG PRO A 369 3.493 -8.296 25.092 1.00 37.34 C

ATOM 52 CD PRO A 369 2.514 -9.362 24.743 1.00 37.20 C

ATOM 53 N ASP A 370 2.300 -9.254 29.474 1.00 38.99 N

ATOM 54 CA ASP A 370 1.349 -9.007 30.550 1.00 39.26 C

ATOM 55 C ASP A 370 0.684 -7.648 30.366 1.00 38.92 C

ATOM 56 O ASP A 370 1.193 -6.786 29.645 1.00 37.46 O

ATOM 57 CB ASP A 370 2.040 -9.056 31.912 1.00 39.67 C

ATOM 58 CG ASP A 370 2.405 -10.459 32.327 1.00 40.84 C

ATOM 59 OD1 ASP A 370 1.927 -11.417 31.683 1.00 41.33 O

ATOM 60 OD2 ASP A 370 3.167 -10.698 33.287 1.00 41.52 O

ATOM 61 N ASP A 371 -0.457 -7.467 31.022 1.00 39.11 N

ATOM 62 CA ASP A 371 -1.157 -6.191 31.004 1.00 39.06 C

ATOM 63 C ASP A 371 -0.455 -5.177 31.908 1.00 37.37 C

ATOM 64 O ASP A 371 -0.149 -5.469 33.071 1.00 37.88 O

ATOM 65 CB ASP A 371 -2.617 -6.379 31.438 1.00 40.70 C

ATOM 66 CG ASP A 371 -3.259 -5.087 31.918 1.00 41.95 C

ATOM 67 OD1 ASP A 371 -3.464 -4.180 31.085 1.00 43.14 O

ATOM 68 OD2 ASP A 371 -3.595 -4.888 33.106 1.00 42.02 O

ATOM 69 N LEU A 372 -0.194 -3.991 31.369 1.00 34.31 N

ATOM 70 CA LEU A 372 0.341 -2.897 32.172 1.00 31.34 C

ATOM 71 C LEU A 372 -0.770 -1.928 32.581 1.00 30.43 C

ATOM 72 O LEU A 372 -1.236 -1.131 31.767 1.00 29.66 O

ATOM 73 CB LEU A 372 1.447 -2.159 31.416 1.00 29.42 C

ATOM 74 CG LEU A 372 2.127 -0.997 32.152 1.00 28.16 C

ATOM 75 CD1 LEU A 372 2.755 -1.469 33.462 1.00 27.21 C

ATOM 76 CD2 LEU A 372 3.169 -0.340 31.258 1.00 25.73 C

ATOM 77 N PRO A 373 -1.195 -2.002 33.841 1.00 30.32 N

ATOM 78 CA PRO A 373 -2.247 -1.121 34.358 1.00 30.10 C

ATOM 79 C PRO A 373 -1.885 0.353 34.169 1.00 30.46 C

ATOM 80 O PRO A 373 -0.815 0.793 34.602 1.00 29.63 O

ATOM 81 CB PRO A 373 -2.304 -1.477 35.847 1.00 30.33 C

ATOM 82 CG PRO A 373 -1.766 -2.866 35.922 1.00 30.55 C

ATOM 83 CD PRO A 373 -0.699 -2.937 34.867 1.00 30.56 C

ATOM 84 N SER A 374 -2.778 1.095 33.515 1.00 30.72 N

ATOM 85 CA SER A 374 -2.553 2.502 33.189 1.00 30.94 C

ATOM 86 C SER A 374 -1.446 2.669 32.148 1.00 30.99 C

ATOM 87 O SER A 374 -0.828 3.731 32.038 1.00 30.79 O

ATOM 88 CB SER A 374 -2.254 3.320 34.450 1.00 30.12 C

ATOM 89 OG SER A 374 -3.406 3.430 35.268 1.00 28.75 O

ATOM 90 N GLY A 375 -1.207 1.611 31.382 1.00 31.31 N

ATOM 91 CA GLY A 375 -0.209 1.640 30.329 1.00 33.71 C

ATOM 92 C GLY A 375 -0.621 0.877 29.084 1.00 34.22 C

ATOM 93 O GLY A 375 -1.799 0.573 28.886 1.00 34.08 O

ATOM 94 N ARG A 376 0.357 0.568 28.239 1.00 35.76 N

ATOM 95 CA ARG A 376 0.093 -0.124 26.981 1.00 36.06 C

ATOM 96 C ARG A 376 1.317 -0.879 26.475 1.00 36.28 C

ATOM 97 O ARG A 376 2.455- 0.465 26.706 1.00 37.67 O

ATOM 98 CB ARG A 376 -0.390 0.863 25.913 1.00 36.78 C

ATOM 99 CG ARG A 376 0.643 1.900 25.483 1.00 37.16 C

ATOM 100 CD ARG A 376 0.047 3.241 25.046 1.00 37.27 C

ATOM 101 NE ARG A 376 0.912 4.362 25.404 1.00 36.98 N

ATOM 102 CZ ARG A 376 0.477 5.536 25.847 1.00 38.09 C

ATOM 103 NH1 ARG A 376 -0.824 5.762 25.988 1.00 37.93 N

ATOM 104 NH2 ARG A 376 1.347 6.494 26.147 1.00 38.57 N

ATOM 105 N VAL A 377 1.077 -1.993 25.790 1.00 35.78 N

ATOM 106 CA VAL A 377 2.148 -2.745 25.149 1.00 35.20 C

ATOM 107 C VAL A 377 2.157 -2.466 23.645 1.00 35.27 C

ATOM 108 O VAL A 377 1.110 -2.451 22.994 1.00 34.39 O

ATOM 109 CB VAL A 377 2.014 -4.268 25.392 1.00 35.23 C

ATOM 110 CG1 VAL A 377 1.347 -4.543 26.728 1.00 36.30 C

ATOM 111 CG2 VAL A 377 1.235 -4.935 24.261 1.00 34.30 C

ATOM 112 N GLU A 378 3.343 -2.228 23.101 1.00 35.63 N

ATOM 113 CA GLU A 378 3.490 -2.011 21.671 1.00 36.60 C

ATOM 114 C GLU A 378 4.630 -2.869 21.148 1.00 35.86 C

ATOM 115 O GLU A 378 5.692 -2.936 21.762 1.00 36.37 O

ATOM 116 CB GLU A 378 3.739 -0.533 21.371 1.00 37.10 C

ATOM 117 CG GLU A 378 2.569 0.363 21.743 1.00 38.49 C

ATOM 118 CD GLU A 378 2.691 1.764 21.180 1.00 39.21 C

ATOM 119 OE1 GLU A 378 3.831 2.257 21.042 1.00 39.17 O

ATOM 120 OE2 GLU A 378 1.642 2.373 20.880 1.00 39.90 O

ATOM 121 N TYR A 379 4.398 -3.532 20.020 1.00 34.47 N

ATOM 122 CA TYR A 379 5.378 -4.453 19.452 1.00 33.85 C

ATOM 123 C TYR A 379 6.408 -3.709 18.611 1.00 31.88 C

ATOM 124 O TYR A 379 6.055 -2.910 17.745 1.00 29.54 O

ATOM 125 CB TYR A 379 4.684 -5.523 18.605 1.00 34.64 C

ATOM 126 CG TYR A 379 3.748 -6.423 19.383 1.00 36.17 C

ATOM 127 CD1 TYR A 379 2.429 -6.049 19.620 1.00 37.18 C

ATOM 128 CD2 TYR A 379 4.179 -7.649 19.875 1.00 36.61 C

ATOM 129 CE1 TYR A 379 1.567 -6.867 20.329 1.00 37.71 C

ATOM 130 CE2 TYR A 379 3.324 -8.476 20.583 1.00 37.74 C

ATOM 131 CZ TYR A 379 2.018 -8.079 20.807 1.00 38.35 C

ATOM 132 OH TYR A 379 1.159 -8.892 21.513 1.00 39.48 O

ATOM 133 N ILE A 380 7.684 -3.974 18.870 1.00 31.30 N

ATOM 134 CA ILE A 380 8.751 -3.329 18.114 1.00 30.74 C

ATOM 135 C ILE A 380 9.190 -4.190 16.934 1.00 30.51 C

ATOM 136 O ILE A 380 9.300 -3.695 15.816 1.00 29.09 O

ATOM 137 CB ILE A 380 9.953 -2.994 19.020 1.00 30.31 C

ATOM 138 CG1 ILE A 380 9.534 -2.035 20.138 1.00 30.09 C

ATOM 139 CG2 ILE A 380 1.1097 -2.412 18.195 1.00 29.49 C

ATOM 140 CD1 ILE A 380 8.917 -0.743 19.652 1.00 30.68 C

ATOM 141 N THR A 381 9.434 -5.475 17.187 1.00 29.54 N

ATOM 142 CA THR A 381 9.870 -6.388 16.133 1.00 30.18 C

ATOM 143 C THR A 381 8.783 -6.552 15.067 1.00 29.58 C

ATOM 144 O THR A 381 9.018 -6.294 13.889 1.00 28.92 O

ATOM 145 CB THR A 381 10.276 -7.760 16.721 1.00 30.88 C

ATOM 146 OG1 THR A 381 11.276 -7.576 17.733 1.00 30.50 O

ATOM 147 CG2 THR A 381 10.991 -8.595 15.675 1.00 30.41 C

ATOM 148 N GLY A 382 7.592 -6.966 15.490 1.00 28.71 N

ATOM 149 CA GLY A 382 6.457 -7.073 14.589 1.00 27.11 C

ATOM 150 C GLY A 382 5.146 -7.248 15.334 1.00 26.15 C

ATOM 151 O GLY A 382 5.127 -7.756 16.456 1.00 23.16 O

ATOM 152 N PRO A 383 4.047 -6.834 14.705 1.00 26.14 N

ATOM 153 CA PRO A 383 2.715 -6.915 15.318 1.00 26.42 C

ATOM 154 C PRO A 383 2.357 -8.334 15.757 1.00 27.72 C

ATOM 155 O PRO A 383 2.012 -9.172 14.924 1.00 28.54 O

ATOM 156 CB PRO A 383 1.787 -6.465 14.186 1.00 25.40 C

ATOM 157 CG PRO A 383 2.642 -5.620 13.325 1.00 24.64 C

ATOM 158 CD PRO A 383 4.000 -6.256 13.352 1.00 24.91 C

ATOM 159 N GLY A 384 2.452 -8.596 17.055 1.00 28.58 N

ATOM 160 CA GLY A 384 2.057 -9.880 17.603 1.00 29.55 C

ATOM 161 C GLY A 384 3.147 -10.935 17.646 1.00 29.99 C

ATOM 162 O GLY A 384 2.862 -12.104 17.908 1.00 30.17 O

ATOM 163 N VAL A 385 4.392 -10.541 17.390 1.00 31.06 N

ATOM 164 CA VAL A 385 5.502 -11.497 17.430 1.00 32.53 C

ATOM 165 C VAL A 385 6.114 -11.576 18.831 1.00 32.59 C

ATOM 166 O VAL A 385 6.576 -10.574 19.388 1.00 31.85 O

ATOM 167 CB VAL A 385 6.573 -11.226 16.330 1.00 32.89 C

ATOM 168 CG1 VAL A 385 5.911 -10.753 15.045 1.00 32.11 C

ATOM 169 CG2 VAL A 385 7.617 -10.229 16.803 1.00 33.67 C

ATOM 170 N THR A 386 6.088 -12.774 19.406 1.00 32.64 N

ATOM 171 CA THR A 386 6.456 -12.951 20.807 1.00 33.15 C

ATOM 172 C THR A 386 7.509 -14.035 20.983 1.00 33.86 C

ATOM 173 O THR A 386 7.677 -14.591 22.070 1.00 33.83 O

ATOM 174 CB THR A 386 5.210 -13.273 21.645 1.00 32.64 C

ATOM 175 OG1 THR A 386 4.481 -14.346 21.030 1.00 31.13 O

ATOM 176 CG2 THR A 386 4.229 -12.103 21.612 1.00 32.04 C

ATOM 177 N THR A 387 8.227 -14.320 19.904 1.00 33.69 N

ATOM 178 CA THR A 387 9.260 -15.344 19.927 1.00 33.50 C

ATOM 179 C THR A 387 10.570 -14.811 20.509 1.00 32.78 C

ATOM 180 O THR A 387 10.768 -13.600 20.620 1.00 32.70 O

ATOM 181 CB THR A 387 9.491 -15.891 18.501 1.00 33.51 C

ATOM 182 OG1 THR A 387 9.534 -14.801 17.570 1.00 32.74 O

ATOM 183 CG2 THR A 387 8.285 -16.698 18.039 1.00 33.55 C

ATOM 184 N TYR A 388 11.453 -15.734 20.878 1.00 31.88 N

ATOM 185 CA TYR A 388 12.809 -15.417 21.321 1.00 30.90 C

ATOM 186 C TYR A 388 13.407 -14.242 20.554 1.00 31.42 C

ATOM 187 O TYR A 388 13.399 -14.224 19.321 1.00 31.98 O

ATOM 188 CB TYR A 388 13.707 -16.649 21.155 1.00 29.49 C

ATOM 189 CG TYR A 388 15.121 -16.472 21.663 1.00 28.06 C

ATOM 190 CD1 TYR A 388 15.372 -16.234 23.007 1.00 27.91 C

ATOM 191 CD2 TYR A 388 16.204 -16.556 20.800 1.00 27.33 C

ATOM 192 CE1 TYR A 388 16.664 -16.075 23.477 1.00 27.17 C

ATOM 193 CE2 TYR A 388 17.500 -16.399 21.261 1.00 27.16 C

ATOM 194 CZ TYR A 388 17.722 -16.158 22.601 1.00 26.76 C

ATOM 195 OH TYR A 388 19.006 -16.001 23.068 1.00 26.22 O

ATOM 196 N LYS A 389 13.917 -13.263 21.298 1.00 31.98 N

ATOM 197 CA LYS A 389 14.618 -12.110 20.730 1.00 32.51 C

ATOM 198 C LYS A 389 13.689 -10.974 20.297 1.00 32.23 C

ATOM 199 O LYS A 389 14.157 -9.892 19.938 1.00 30.81 O

ATOM 200 CB LYS A 389 15.523 -12.531 19.564 1.00 33.54 C

ATOM 201 CG LYS A 389 16.830 -13.180 19.996 1.00 34.47 C

ATOM 202 CD LYS A 389 17.914 -12.147 20.255 1.00 34.87 C

ATOM 203 CE LYS A 389 19.157 -12.448 19.434 1.00 35.59 C

ATOM 204 NZ LYS A 389 20.406 -12.031 20.129 1.00 35.95 N

ATOM 205 N ALA A 390 12.381 -11.222 20.327 1.00 32.71 N

ATOM 206 CA ALA A 390 11.401 -10.182 20.009 1.00 33.32 C

ATOM 207 C ALA A 390 11.381 -9.105 21.092 1.00 33.23 C

ATOM 208 O ALA A 390 11.592 -9.390 22.271 1.00 33.56 O

ATOM 209 CB ALA A 390 10.014 -10.780 19.825 1.00 32.93 C

ATOM 210 N VAL A 391 11.120 -7.869 20.675 1.00 33.38 N

ATOM 211 CA VAL A 391 11.190 -6.707 21.551 1.00 31.78 C

ATOM 212 C VAL A 391 9.830 -6.026 21.647 1.00 32.00 C

ATOM 213 O VAL A 391 9.117 -5.917 20.651 1.00 32.80 O

ATOM 214 CB VAL A 391 12.211 -5.678 21.010 1.00 31.71 C

ATOM 215 CG1 VAL A 391 12.341 -4.485 21.944 1.00 31.89 C

ATOM 216 CG2 VAL A 391 13.567 -6.332 20.778 1.00 32.05 C

ATOM 217 N ILE A 392 9.469 -5.569 22.844 1.00 31.40 N

ATOM 218 CA ILE A 392 8.272 -4.750 23.008 1.00 31.70 C

ATOM 219 C ILE A 392 8.579 -3.497 23.817 1.00 31.54 C

ATOM 220 O ILE A 392 9.560 -3.453 24.560 1.00 32.90 O

ATOM 221 CB ILE A 392 7.122 -5.547 23.670 1.00 32.33 C

ATOM 222 CG1 ILE A 392 7.434 -5.821 25.147 1.00 32.84 C

ATOM 223 CG2 ILE A 392 6.820 -6.817 22.879 1.00 33.70 C

ATOM 224 CD1 ILE A 392 6.811 -7.080 25.692 1.00 32.78 C

ATOM 225 N GLN A 393 7.741 -2.477 23.668 1.00 30.58 N

ATOM 226 CA GLN A 393 7.883 -1.260 24.459 1.00 31.38 C

ATOM 227 C GLN A 393 6.625 -0.995 25.280 1.00 31.11 C

ATOM 228 O GLN A 393 5.522 -0.906 24.739 1.00 31.03 O

ATOM 229 CB GLN A 393 8.198 -0.058 23.559 1.00 31.75 C

ATOM 230 CG GLN A 393 8.626 1.204 24.302 1.00 32.09 C

ATOM 231 CD GLN A 393 9.985 1.070 24.963 1.00 34.18 C

ATOM 232 OE1 GLN A 393 10.738 0.139 24.660 1.00 37.07 O

ATOM 233 NE2 GLN A 393 10.298 1.981 25.862 1.00 36.51 N

ATOM 234 N TYR A 394 6.799 -0.896 26.592 1.00 30.51 N

ATOM 235 CA TYR A 394 5.729 -0.474 27.488 1.00 29.86 C

ATOM 236 C TYR A 394 5.786 1.031 27.630 1.00 28.40 C

ATOM 237 O TYR A 394 6.867 1.611 27.669 1.00 27.33 O

ATOM 238 CB TYR A 394 5.923 -1.072 28.878 1.00 28.83 C

ATOM 239 CG TYR A 394 5.530 -2.521 29.019 1.00 30.55 C

ATOM 240 CD1 TYR A 394 6.492 -3.497 29.264 1.00 30.78 C

ATOM 241 CD2 TYR A 394 4.195 -2.916 28.940 1.00 31.42 C

ATOM 242 CE1 TYR A 394 6.140 -4.827 29.420 1.00 31.90 C

ATOM 243 CE2 TYR A 394 3.831 -4.249 29.089 1.00 31.92 C

ATOM 244 CZ TYR A 394 4.810 -5.200 29.326 1.00 32.29 C

ATOM 245 OH TYR A 394 4.466 -6.522 29.477 1.00 33.31 O

ATOM 246 N SER A 395 4.623 1.659 27.726 1.00 28.44 N

ATOM 247 CA SER A 395 4.551 3.076 28.046 1.00 28.51 C

ATOM 248 C SER A 395 3.339 3.357 28.931 1.00 29.35 C

ATOM 249 O SER A 395 2.430 2.527 29.048 1.00 29.60 O

ATOM 250 CB SER A 395 4.522 3.934 26.774 1.00 28.86 C

ATOM 251 OG SER A 395 3.536 3.488 25.860 1.00 27.94 O

ATOM 252 N CYS A 396 3.340 4.526 29.560 1.00 27.72 N

ATOM 253 CA CYS A 396 2.264 4.928 30.450 1.00 28.08 C

ATOM 254 C CYS A 396 1.397 5.986 29.777 1.00 27.55 C

ATOM 255 O CYS A 396 1.828 6.634 28.827 1.00 25.35 O

ATOM 256 CB CYS A 396 2.853 5.494 31.747 1.00 27.39 C

ATOM 257 SG CYS A 396 3.667 4.259 32.781 1.00 28.06 S

ATOM 258 N GLU A 397 0.196 6.187 30.231 1.00 28.14 N

ATOM 259 CA GLU A 397 -0.547 7.388 29.876 1.00 29.45 C

ATOM 260 C GLU A 397 0.235 8.530 30.503 1.00 28.50 C

ATOM 261 O GLU A 397 0.142 8.766 31.707 1.00 28.29 O

ATOM 262 CB GLU A 397 -1.970 7.340 30.428 1.00 30.37 C

ATOM 263 CG GLU A 397 -2.876 6.338 29.729 1.00 32.72 C

ATOM 264 CD GLU A 397 -3.829 5.646 30.689 1.00 33.56 C

ATOM 265 OE1 GLU A 397 -4.233 6.279 31.689 1.00 34.52 O

ATOM 266 OE2 GLU A 397 -4.173 4.470 30.449 1.00 33.68 O

ATOM 267 N GLU A 398 1.027 9.225 29.693 1.00 28.76 N

ATOM 268 CA GLU A 398 2.086 10.080 30.238 1.00 28.81 C

ATOM 269 C GLU A 398 1.650 11.435 30.801 1.00 26.84 C

ATOM 270 O GLU A 398 2.409 12.071 31.533 1.00 28.31 O

ATOM 271 CB GLU A 398 3.217 10.265 29.223 1.00 29.10 C

ATOM 272 N THR A 399 0.445 11.885 30.474 1.00 23.46 N

ATOM 273 CA THR A 399 -0.002 13.170 30.995 1.00 21.70 C

ATOM 274 C THR A 399 -0.152 13.108 32.516 1.00 21.44 C

ATOM 275 O THR A 399 0.181 14.058 33.222 1.00 22.12 O

ATOM 276 CB THR A 399 -1.326 13.601 30.338 1.00 21.29 C

ATOM 277 OG1 THR A 399 -1.128 13.779 28.927 1.00 22.42 O

ATOM 278 CG2 THR A 399 -1.739 14.973 30.819 1.00 19.49 C

ATOM 279 N PHE A 400 -0.627 11.972 33.018 1.00 20.64 N

ATOM 280 CA PHE A 400 -0.970 11.855 34.429 1.00 19.70 C

ATOM 281 C PHE A 400 -0.208 10.748 35.155 1.00 19.57 C

ATOM 282 O PHE A 400 -0.261 10.664 36.384 1.00 19.31 O

ATOM 283 CB PHE A 400 -2.480 11.658 34.576 1.00 19.72 C

ATOM 284 CG PHE A 400 -3.271 12.920 34.375 1.00 20.42 C

ATOM 285 CD1 PHE A 400 -4.088 13.081 33.261 1.00 20.90 C

ATOM 286 CD2 PHE A 400 -3.187 13.955 35.295 1.00 20.26 C

ATOM 287 CE1 PHE A 400 -4.815 14.253 33.079 1.00 20.76 C

ATOM 288 CE2 PHE A 400 -3.905 15.123 35.119 1.00 20.73 C

ATOM 289 CZ PHE A 400 -4.719 15.275 34.008 1.00 20.42 C

ATOM 290 N TYR A 401 0.497 9.912 34.391 1.00 18.27 N

ATOM 291 CA TYR A 401 1.263 8.795 34.935 1.00 18.98 C

ATOM 292 C TYR A 401 2.708 8.860 34.460 1.00 20.63 C

ATOM 293 O TYR A 401 2.977 9.353 33.366 1.00 22.82 O

ATOM 294 CB TYR A 401 0.646 7.462 34.487 1.00 18.63 C

ATOM 295 CG TYR A 401 -0.710 7.178 35.092 1.00 19.73 C

ATOM 296 CD1 TYR A 401 -1.859 7.777 34.585 1.00 19.71 C

ATOM 297 CD2 TYR A 401 -0.843 6.317 36.182 1.00 20.39 C

ATOM 298 CE1 TYR A 401 -3.105 7.526 35.142 1.00 19.24 C

ATOM 299 CE2 TYR A 401 -2.083 6.061 36.747 1.00 19.94 C

ATOM 300 CZ TYR A 401 -3.209 6.665 36.222 1.00 20.01 C

ATOM 301 OH TYR A 401 -4.440 6.407 36.783 1.00 20.65 O

ATOM 302 N THR A 402 3.640 8.374 35.278 1.00 22.09 N

ATOM 303 CA THR A 402 5.019 8.184 34.825 1.00 25.01 C

ATOM 304 C THR A 402 5.493 6.755 35.082 1.00 25.45 C

ATOM 305 O THR A 402 5.179 6.162 36.114 1.00 25.85 O

ATOM 306 CB THR A 402 5.995 9.200 35.470 1.00 25.34 C

ATOM 307 OG1 THR A 402 5.895 9.133 36.897 1.00 27.28 O

ATOM 308 CG2 THR A 402 5.599 10.628 35.133 1.00 26.74 C

ATOM 309 N MET A 403 6.240 6.207 34.129 1.00 27.63 N

ATOM 310 CA MET A 403 6.793 4.861 34.250 1.00 29.32 C

ATOM 311 C MET A 403 7.908 4.840 35.274 1.00 30.17 C

ATOM 312 O MET A 403 8.790 5.701 35.266 1.00 29.55 O

ATOM 313 CB MET A 403 7.330 4.375 32.905 1.00 29.73 C

ATOM 314 CG MET A 403 7.816 2.935 32.915 1.00 30.02 C

ATOM 315 SD MET A 403 7.828 2.238 31.261 1.00 30.65 S

ATOM 316 CE MET A 403 6.087 1.997 31.026 1.00 29.71 C

ATOM 317 N LYS A 404 7.864 3.857 36.163 1.00 32.49 N

ATOM 318 CA LYS A 404 8.903 3.710 37.172 1.00 35.13 C

ATOM 319 C LYS A 404 9.648 2.384 37.011 1.00 36.22 C

ATOM 320 O LYS A 404 9.134 1.438 36.406 1.00 35.89 O

ATOM 321 CB LYS A 404 8.314 3.835 38.583 1.00 35.27 C

ATOM 322 CG LYS A 404 7.622 5.163 38.856 1.00 36.05 C

ATOM 323 CD LYS A 404 8.521 6.110 39.629 1.00 36.71 C

ATOM 324 CE LYS A 404 8.002 7.534 39.555 1.00 37.79 C

ATOM 325 NZ LYS A 404 8.894 8.498 40.260 1.00 37.68 N

ATOM 326 N VAL A 405 10.873 2.351 37.534 1.00 37.71 N

ATOM 327 CA VAL A 405 11.699 1.142 37.628 1.00 38.72 C

ATOM 328 C VAL A 405 12.184 0.528 36.305 1.00 39.42 C

ATOM 329 O VAL A 405 13.024 -0.385 36.314 1.00 40.88 O

ATOM 330 CB VAL A 405 11.038 0.056 38.530 1.00 39.12 C

ATOM 331 CG1 VAL A 405 10.302 -0.991 37.697 1.00 38.74 C

ATOM 332 CG2 VAL A 405 12.083 -0.593 39.441 1.00 39.29 C

ATOM 333 N ASN A 406 11.699 1.002 35.147 1.00 39.50 N

ATOM 334 CA ASN A 406 12.162 0.540 33.838 1.00 39.30 C

ATOM 335 C ASN A 406 12.020 1.608 32.767 1.00 38.40 C

ATOM 336 O ASN A 406 11.373 2.643 32.981 1.00 38.68 O

ATOM 337 CB ASN A 406 11.390 -0.707 33.385 1.00 40.04 C

ATOM 338 CG ASN A 406 11.785 -1.957 34.152 1.00 40.82 C

ATOM 339 OD1 ASN A 406 10.958 -2.843 34.387 1.00 42.04 O

ATOM 340 ND2 ASN A 406 13.052 -2.037 34.544 1.00 40.46 N

ATOM 341 N ASP A 407 12.720 1.440 31.668 1.00 36.18 N

ATOM 342 CA ASP A 407 12.471 2.295 30.518 1.00 34.99 C

ATOM 343 C ASP A 407 11.426 1.639 29.617 1.00 33.61 C

ATOM 344 O ASP A 407 11.015 2.206 28.608 1.00 33.37 O

ATOM 345 CB ASP A 407 13.769 2.623 29.767 1.00 36.20 C

ATOM 346 CG ASP A 407 14.282 1.464 28.930 1.00 36.77 C

ATOM 347 OD1 ASP A 407 13.963 0.295 29.238 1.00 36.79 O

ATOM 348 OD2 ASP A 407 15.024 1.634 27.939 1.00 37.17 O

ATOM 349 N GLY A 408 11.000 0.436 30.002 1.00 32.33 N

ATOM 350 CA GLY A 408 9.895 -0.242 29.348 1.00 30.59 C

ATOM 351 C GLY A 408 10.272 -1.129 28.177 1.00 30.90 C

ATOM 352 O GLY A 408 9.395 -1.718 27.544 1.00 32.00 O

ATOM 353 N LYS A 409 11.567 -1.221 27.883 1.00 29.83 N

ATOM 354 CA LYS A 409 12.058 -2.094 26.822 1.00 29.71 C

ATOM 355 C LYS A 409 12.231 -3.524 27.333 1.00 29.97 C

ATOM 356 O LYS A 409 13.086 -3.790 28.179 1.00 28.84 O

ATOM 357 CB LYS A 409 13.389 -1.576 26.268 1.00 30.12 C

ATOM 358 N TYR A 410 11.413 -4.438 26.816 1.00 30.78 N

ATOM 359 CA TYR A 410 11.480 -5.845 27.202 1.00 32.08 C

ATOM 360 C TYR A 410 11.808 -6.734 26.013 1.00 32.01 C

ATOM 361 O TYR A 410 11.448 -6.425 24.879 1.00 33.03 O

ATOM 362 CB TYR A 410 10.167 -6.295 27.853 1.00 32.65 C

ATOM 363 CG TYR A 410 10.045 -5.887 29.303 1.00 32.85 C

ATOM 364 CD1 TYR A 410 9.988 -4.546 29.660 1.00 33.05 C

ATOM 365 CD2 TYR A 410 9.993 -6.838 30.316 1.00 33.65 C

ATOM 366 CE1 TYR A 410 9.879 -4.162 30.976 1.00 33.63 C

ATOM 367 CE2 TYR A 410 9.884 -6.459 31.648 1.00 33.65 C

ATOM 368 CZ TYR A 410 9.828 -5.118 31.966 1.00 33.62 C

ATOM 369 OH TYR A 410 9.726 -4.711 33.272 1.00 34.16 O

ATOM 370 N VAL A 411 12.499 -7.838 26.285 1.00 33.43 N

ATOM 371 CA VAL A 411 12.900 -8.789 25.251 1.00 33.30 C

ATOM 372 C VAL A 411 12.559 -10.215 25.673 1.00 34.01 C

ATOM 373 O VAL A 411 12.547 -10.531 26.867 1.00 33.73 O

ATOM 374 CB VAL A 411 14.416 -8.720 24.972 1.00 34.13 C

ATOM 375 CG1 VAL A 411 14.778 -7.437 24.239 1.00 33.64 C

ATOM 376 CG2 VAL A 411 15.208 -8.846 26.269 1.00 34.73 C

ATOM 377 N CYS A 412 12.286 -11.071 24.692 1.00 33.99 N

ATOM 378 CA CYS A 412 12.009 -12.477 24.965 1.00 34.00 C

ATOM 379 C CYS A 412 13.309 -13.214 25 273 1.00 33.89 C

ATOM 380 O CYS A 412 14.195 -13.303 24.426 1.00 34.20 O

ATOM 381 CB CYS A 412 11.282 -13.130 23.784 1.00 33.07 C

ATOM 382 SG CYS A 412 10.560 -14.753 24.146 1.00 32.90 S

ATOM 383 N GLU A 413 13.421 -13.730 26.494 1.00 33.47 N

ATOM 384 CA GLU A 413 14.642 -14.396 26.940 1.00 34.45 C

ATOM 385 C GLU A 413 14.588 -15.897 26.660 1.00 33.82 C

ATOM 386 O GLU A 413 13.530 -16.440 26.340 1.00 33.21 O

ATOM 387 CB GLU A 413 14.879 -14.132 28.432 1.00 36.26 C

ATOM 388 CG GLU A 413 16.292 -14.415 28.923 1.00 38.73 C

ATOM 389 CD GLU A 413 17.306 -13.385 28.457 1.00 39.75 C

ATOM 390 OE1 GLU A 413 17.203 -12.210 28.878 1.00 40.09 O

ATOM 391 OE2 GLU A 413 18.216 -13.753 27.676 1.00 40.64 O

ATOM 392 N ALA A 414 15.734 -16.561 26.788 1.00 33.46 N

ATOM 393 CA ALA A 414 15.843 -17.984 26.484 1.00 32.79 C

ATOM 394 C ALA A 414 14.994 -18.851 27.412 1.00 32.98 C

ATOM 395 O ALA A 414 14.748 -20.022 27.123 1.00 32.92 O

ATOM 396 CB ALA A 414 17.299 -18.420 26.533 1.00 32.80 C

ATOM 397 N ASP A 415 14.543 -18.272 28.522 1.00 33.51 N

ATOM 398 CA ASP A 415 13.761 -19.012 29.512 1.00 33.64 C

ATOM 399 C ASP A 415 12.252 -18.805 29.369 1.00 33.19 C

ATOM 400 O ASP A 415 11.483 -19.179 30.254 1.00 33.34 O

ATOM 401 CB ASP A 415 14.212 -18.663 30.934 1.00 34.28 C

ATOM 402 CG ASP A 415 14.618 -17.210 31.080 1.00 35.61 C

ATOM 403 OD1 ASP A 415 13.799 -16.319 30.755 1.00 35.90 O

ATOM 404 OD2 ASP A 415 15.737 -16.864 31.515 1.00 36.18 O

ATOM 405 N GLY A 416 11.834 -18.214 28.256 1.00 33.22 N

ATOM 406 CA GLY A 416 10.422 -18.027 27.973 1.00 33.22 C

ATOM 407 C GLY A 416 9.811 -16.805 28.632 1.00 33.36 C

ATOM 408 O GLY A 416 8.588 -16.658 28.658 1.00 33.20 O

ATOM 409 N PHE A 417 10.657 -15.918 29.148 1.00 33.86 N

ATOM 410 CA PHE A 417 10.188 -14.758 29.899 1.00 33.98 C

ATOM 411 C PHE A 417 10.529 -13.441 29.217 1.00 33.00 C

ATOM 412 O PHE A 417 11.609 -13.289 28.656 1.00 33.31 O

ATOM 413 CB PHE A 417 10.805 -14.747 31.301 1.00 35.66 C

ATOM 414 CG PHE A 417 10.224 -15.767 32.234 1.00 37.23 C

ATOM 415 CD1 PHE A 417 10.748 -17.047 32.296 1.00 37.18 C

ATOM 416 CD2 PHE A 417 9.164 -15.440 33.064 1.00 38.54 C

ATOM 417 CE1 PHE A 417 10.218 -17.989 33.160 1.00 38.01 C

ATOM 418 CE2 PHE A 417 8.629 -16.379 33.932 1.00 38.34 C

ATOM 419 CZ PHE A 417 9.159 -17.655 33.979 1.00 38.30 C

ATOM 420 N TRP A 418 9.606 -12.487 29.287 1.00 31.71 N

ATOM 421 CA TRP A 418 9.888 -11.112 28.897 1.00 31.57 C

ATOM 422 C TRP A 418 10.737 -10.455 29.984 1.00 31.42 C

ATOM 423 O TRP A 418 10.352 -10.454 31.152 1.00 31.54 O

ATOM 424 CB TRP A 418 8.583 -10.331 28.728 1.00 30.53 C

ATOM 425 CG TRP A 418 7.765 -10.764 27.555 1.00 30.64 C

ATOM 426 CD1 TRP A 418 6.622 -11.515 27.578 1.00 30.23 C

ATOM 427 CD2 TRP A 418 8.023 -10.473 26.176 1.00 29.88 C

ATOM 428 NE1 TRP A 418 6.155 -11.706 26.298 1.00 29.58 N

ATOM 429 CE2 TRP A 418 6.999 -11.079 25.418 1.00 29.20 C

ATOM 430 CE3 TRP A 418 9.021 -9.760 25.500 1.00 30.35 C

ATOM 431 CZ2 TRP A 418 6.942 -10.990 24.028 1.00 29.18 C

ATOM 432 CZ3 TRP A 418 8.962 -9.673 24.115 1.00 28.73 C

ATOM 433 CH2 TRP A 418 7.931 -10.286 23.398 1.00 28.66 C

ATOM 434 N THR A 419 11.895 -9.912 29.616 1.00 30.99 N

ATOM 435 CA THR A 419 12.773 -9.302 30.615 1.00 30.49 C

ATOM 436 C THR A 419 13.283 -7.923 30.208 1.00 30.41 C

ATOM 437 O THR A 419 13.579 -7.672 29.038 1.00 29.42 O

ATOM 438 CB THR A 419 13.942 -10.256 31.009 1.00 30.23 C

ATOM 439 OG1 THR A 419 15.200 -9.678 30.637 1.00 30.33 O

ATOM 440 CG2 THR A 419 13.891 -11.529 30.204 1.00 28.44 C

ATOM 441 N SER A 420 13.367 -7.031 31.194 1.00 30.42 N

ATOM 442 CA SER A 420 13.756 -5.640 30.973 1.00 30.51 C

ATOM 443 C SER A 420 15.246 -5.485 30.702 1.00 30.00 C

ATOM 444 O SER A 420 16.002 -6.453 30.749 1.00 29.92 O

ATOM 445 CB SER A 420 13.366 -4.780 32.182 1.00 30.55 C

ATOM 446 OG SER A 420 14.262 -4.982 33.266 1.00 29.85 O

ATOM 447 N SER A 421 15.657 -4.250 30.431 1.00 30.85 N

ATOM 448 CA SER A 421 17.064 -3.926 30.214 1.00 30.91 C

ATOM 449 C SER A 421 17.901 -4.223 31.456 1.00 30.87 C

ATOM 450 O SER A 421 19.123 -4.370 31.375 1.00 30.88 O

ATOM 451 CB SER A 421 17.214 -2.454 29.818 1.00 31.26 C

ATOM 452 N LYS A 422 17.236 -4.311 32.604 1.00 30.57 N

ATOM 453 CA LYS A 422 17.911 -4.600 33.864 1.00 30.35 C

ATOM 454 C LYS A 422 17.837 -6.088 34.191 1.00 31.26 C

ATOM 455 O LYS A 422 18.383 -6.537 35.197 1.00 30.61 O

ATOM 456 CB LYS A 422 17.303 -3.776 35.002 1.00 29.53 C

ATOM 457 CG LYS A 422 17.559 -2.275 34.896 1.00 28.75 C

ATOM 458 CD LYS A 422 17.229 -1.560 36.198 1.00 27.98 C

ATOM 459 N GLY A 423 17.154 -6.846 33.335 1.00 32.88 N

ATOM 460 CA GLY A 423 17.027 -8.284 33.502 1.00 33.47 C

ATOM 461 C GLY A 423 15.957 -8.687 34.499 1.00 33.89 C

ATOM 462 O GLY A 423 16.026 -9.762 35.099 1.00 33.50 O

ATOM 463 N GLU A 424 14.964 -7.819 34.673 1.00 34.05 N

ATOM 464 CA GLU A 424 13.876 -8.071 35.613 1.00 35.27 C

ATOM 465 C GLU A 424 12.721 -8.816 34.950 1.00 36.74 C

ATOM 466 O GLU A 424 12.315 -8.492 33.832 1.00 37.55 O

ATOM 467 CB GLU A 424 13.367 -6.757 36.211 1.00 34.07 C

ATOM 468 CG GLU A 424 14.372 -6.041 37.098 1.00 33.37 C

ATOM 469 CD GLU A 424 14.187 -4.537 37.080 1.00 32.78 C

ATOM 470 OE1 GLU A 424 13.843 -3.995 36.002 1.00 31.72 O

ATOM 471 OE2 GLU A 424 14.382 -3.902 38.141 1.00 31.37 O

ATOM 472 N LYS A 425 12.187 -9.812 35.649 1.00 38.04 N

ATOM 473 CA LYS A 425 11.057 -10.574 35.130 1.00 39.37 C

ATOM 474 C LYS A 425 9.725 -9.862 35.401 1.00 39.71 C

ATOM 475 O LYS A 425 8.710 -10.165 34.774 1.00 42.52 O

ATOM 476 CB LYS A 425 11.051 -11.989 35.714 1.00 39.20 C

ATOM 477 CG LYS A 425 12.391 -12.728 35.606 1.00 38.69 C

ATOM 478 CD LYS A 425 12.934 -12.741 34.173 1.00 37.34 C

ATOM 479 CE LYS A 425 14.253 -13.518 34.073 1.00 35.96 C

ATOM 480 NZ LYS A 425 14.603 -13.912 32.670 1.00 33.87 N

ATOM 481 N SER A 426 9.744 -8.902 36.320 1.00 37.68 N

ATOM 482 CA SER A 426 8.541 -8.169 36.703 1.00 36.50 C

ATOM 483 C SER A 426 8.268 -6.964 35.800 1.00 35.62 C

ATOM 484 O SER A 426 9.160 -6.474 35.106 1.00 34.95 O

ATOM 485 CB SER A 426 8.647 -7.707 38.157 1.00 37.03 C

ATOM 486 OG SER A 426 9.869 -7.024 38.388 1.00 37.45 O

ATOM 487 N LEU A 427 7.025 -6.491 35.829 1.00 34.25 N

ATOM 488 CA LEU A 427 6.587 -5.372 35.000 1.00 33.54 C

ATOM 489 C LEU A 427 7.100 -4.034 35.536 1.00 31.20 C

ATOM 490 O LEU A 427 7.459 -3.929 36.710 1.00 31.78 O

ATOM 491 CB LEU A 427 5.057 -5.334 34.950 1.00 33.69 C

ATOM 492 CG LEU A 427 4.316 -6.127 33.875 1.00 34.23 C

ATOM 493 CD1 LEU A 427 2.929 -6.503 34.373 1.00 33.90 C

ATOM 494 CD2 LEU A 427 4.210 -5.313 32.606 1.00 34.72 C

ATOM 495 N PRO A 428 7.134 -3.017 34.676 1.00 28.41 N

ATOM 496 CA PRO A 428 7.342 -1.640 35.126 1.00 26.72 C

ATOM 497 C PRO A 428 6.053 -1.170 35.779 1.00 25.61 C

ATOM 498 O PRO A 428 5.054 -1.883 35.699 1.00 24.66 O

ATOM 499 CB PRO A 428 7.588 -0.878 33.820 1.00 26.75 C

ATOM 500 CG PRO A 428 6.860 -1.661 32.786 1.00 26.81 C

ATOM 501 CD PRO A 428 6.976 -3.101 33.211 1.00 28.56 C

ATOM 502 N VAL A 429 6.067 -0.004 36.413 1.00 24.67 N

ATOM 503 CA VAL A 429 4.882 0.487 37.108 1.00 23.33 C

ATOM 504 C VAL A 429 4.492 1.870 36.594 1.00 23.40 C

ATOM 505 O VAL A 429 5.334 2.765 36.506 1.00 23.83 O

ATOM 506 CB VAL A 429 5.106 0.555 38.644 1.00 22.89 C

ATOM 507 CG1 VAL A 429 3.996 1.357 39.321 1.00 22.20 C

ATOM 508 CG2 VAL A 429 5.210 -0.846 39.256 1.00 20.21 C

ATOM 509 N CYS A 430 3.221 2.035 36.242 1.00 22.54 N

ATOM 510 CA CYS A 430 2.680 3.348 35.924 1.00 22.26 C

ATOM 511 C CYS A 430 2.120 3.961 37.205 1.00 23.88 C

ATOM 512 O CYS A 430 1.178 3.434 37.808 1.00 24.29 O

ATO1 513 CB CYS A 430 1.606 3.249 34.843 1.00 24.78 C

ATOM 514 SG CYS A 430 2.265 2.853 33.197 1.00 26.45 S

ATOM 515 N GLU A 431 2.722 5.069 37.625 1.00 22.74 N

ATOM 516 CA GLU A 431 2.376 5.704 38.883 1.00 22.95 C

ATOM 517 C GLU A 431 1.824 7.101 38.633 1.00 23.66 C

ATOM 518 O GLU A 431 2.446 7.906 37.938 1.00 22.24 O

ATOM 519 CB GLU A 431 3.614 5.767 39.780 1.00 23.72 C

ATOM 520 CG GLU A 431 3.481 6.643 41.012 1.00 23.98 C

ATOM 521 CD GLU A 431 4.671 6.501 41.941 1.00 25.51 C

ATOM 522 OE1 GLU A 431 4.981 5.353 42.328 1.00 26.59 O

ATOM 523 OE2 GLU A 431 5.296 7.530 42.286 1.00 25.55 O

ATOM 524 N PRO A 432 0.648 7.383 39.190 1.00 25.44 N

ATOM 525 CA PRO A 432 0.021 8.699 39.028 1.00 25.71 C

ATOM 526 C PRO A 432 0.963 9.809 39.479 1.00 26.43 C

ATOM 527 O PRO A 432 1.579 9.693 40.530 1.00 28.09 O

ATOM 528 CB PRO A 432 -1.212 8.623 39.942 1.00 25.34 C

ATOM 529 CG PRO A 432 -1.506 7.144 40.071 1.00 25.52 C

ATOM 530 CD PRO A 432 -0.173 6.456 39.993 1.00 24.15 C

ATOM 531 N VAL A 433 1.098 10.854 38.670 1.00 26.67 N

ATOM 532 CA VAL A 433 1.845 12.038 39.071 1.00 24.86 C

ATOM 533 C VAL A 433 1.169 12.636 40.313 1.00 22.42 C

ATOM 534 O VAL A 433 -0.059 12.678 40.387 1.00 26.08 O

ATOM 535 CB VAL A 433 1.878 13.055 37.913 1.00 27.35 C

ATOM 536 CG1 VAL A 433 2.534 14.360 38.352 1.00 28.16 C

ATOM 537 CG2 VAL A 433 2.641 12.452 36.722 1.00 26.41 C

ATOM 538 N CYS A 434 1.946 13.077 41.294 1.00 12.19 N

ATOM 539 CA CYS A 434 1.347 13.549 42.542 1.00 10.08 C

ATOM 540 C CYS A 434 1.744 14.980 42.877 1.00 9.37 C

ATOM 541 O CYS A 434 2.752 15.485 42.379 1.00 8.79 O

ATOM 542 CB CYS A 434 1.708 12.610 43.698 1.00 7.91 C

ATOM 543 SG CYS A 434 3.473 12.567 44.063 1.00 8.15 S

ATOM 544 N GLY A 435 0.938 15.638 43.703 1.00 9.31 N

ATOM 545 CA GLY A 435 1.308 16.925 44.270 1.00 8.50 C

ATOM 546 C GLY A 435 1.189 18.145 43.369 1.00 10.25 C

ATOM 547 O GLY A 435 1.752 19.200 43.661 1.00 10.27 O

ATOM 548 N LEU A 436 0.464 18.010 42.268 1.00 10.23 N

ATOM 549 CA LEU A 436 0.167 19.157 41.417 1.00 12.37 C

ATOM 550 C LEU A 436 -0.913 20.025 42.055 1.00 11.64 C

ATOM 551 O LEU A 436 -1.820 19.511 42.718 1.00 11.59 O

ATOM 552 CB LEU A 436 -0.289 18.699 40.032 1.00 13.21 C

ATOM 553 CG LEU A 436 0.735 17.893 39.235 1.00 14.51 C

ATOM 554 CD1 LEU A 436 0.063 17.307 38.014 1.00 16.09 C

ATOM 555 CD2 LEU A 436 1.933 18.757 38.842 1.00 14.74 C

ATOM 556 N SER A 437 -0.809 21.338 41.860 1.00 10.54 N

ATOM 557 CA SER A 437 -1.779 22.271 42.410 1.00 10.41 C

ATOM 558 C SER A 437 -1.884 23.529 41.562 1.00 13.02 C

ATOM 559 O SER A 437 -0.887 24.013 41.037 1.00 12.96 O

ATOM 560 CB SER A 437 -1.410 22.656 43.838 1.00 9.80 C

ATOM 561 OG SER A 437 -2.366 23.551 44.382 1.00 9.36 O

ATOM 562 N ALA A 438 -3.097 24.061 41.442 1.00 15.00 N

ATOM 563 CA ALA A 438 -3.305 25.332 40.761 1.00 16.67 C

ATOM 564 C ALA A 438 -2.846 26.489 41.644 1.00 19.94 C

ATOM 565 O ALA A 438 -2.857 27.640 41.221 1.00 21.64 O

ATOM 566 CB ALA A 438 -4.768 25.499 40.371 1.00 16.55 C

ATOM 567 N ARG A 439 -2.450 26.171 42.876 1.00 24.08 N

ATOM 568 CA ARG A 439 -1.842 27.139 43.789 1.00 27.28 C

ATOM 569 C ARG A 439 -0.355 27.310 43.477 1.00 31.29 C

ATOM 570 O ARG A 439 0.265 28.296 43.884 1.00 32.36 O

ATOM 571 CB ARG A 439 -1.972 26.666 45.236 1.00 25.01 C

ATOM 572 CG ARG A 439 -3.315 26.892 45.878 1.00 23.18 C

ATOM 573 CD ARG A 439 -3.363 26.432 47.326 1.00 20.95 C

ATOM 574 NE ARG A 439 -2.974 27.501 48.239 1.00 20.72 N

ATOM 575 CZ ARG A 439 -2.330 27.319 49.388 1.00 19.29 C

ATOM 576 NH1 ARG A 439 -1.984 26.096 49.779 1.00 19.16 N

ATOM 577 NH2 ARG A 439 -2.029 28.365 50.147 1.00 16.30 N

ATOM 578 N THR A 440 0.209 26.327 42.776 1.00 35.91 N

ATOM 579 CA THR A 440 1.630 26.305 42.411 1.00 38.71 C

ATOM 580 C THR A 440 2.486 25.594 43.454 1.00 39.07 C

ATOM 581 O THR A 440 3.284 24.718 43.112 1.00 39.17 O

ATOM 582 CB THR A 440 2.180 27.730 42.118 1.00 39.01 C

ATOM 583 N ILE A 445 -12.841 24.648 58.415 1.00 4.34 N

ATOM 584 CA ILE A 445 -11.715 25.569 58.304 1.00 6.34 C

ATOM 585 C ILE A 445 -12.066 26.971 58.833 1.00 8.46 C

ATOM 586 O ILE A 445 -12.957 27.650 58.307 1.00 8.98 O

ATOM 587 CB ILE A 445 -11.219 25.652 56.831 1.00 6.61 C

ATOM 588 CG1 ILE A 445 -10.722 24.289 56.339 1.00 5.54 C

ATOM 589 CG2 ILE A 445 -10.137 26.725 56.680 1.00 5.97 C

ATOM 590 CD1 ILE A 445 -9.529 23.728 57.125 1.00 4.99 C

ATOM 591 N TYR A 446 -11.342 27.393 59.865 1.00 8.51 N

ATOM 592 CA TYR A 446 -11.552 28.676 60.530 1.00 9.79 C

ATOM 593 C TYR A 446 -10.564 29.719 59.994 1.00 10.48 C

ATOM 594 O TYR A 446 -9.368 29.460 59.910 1.00 8.35 O

ATOM 595 CB TYR A 446 -11.351 28.478 62.030 1.00 11.08 C

ATOM 596 CG TYR A 446 -11.778 29.615 62.934 1.00 13.16 C

ATOM 597 CD1 TYR A 446 -12.849 29.462 63.809 1.00 13.53 C

ATOM 598 CD2 TYR A 446 -11.077 30.819 62.960 1.00 13.14 C

ATOM 599 CE1 TYR A 446 -13.232 30.483 64.656 1.00 15.00 C

ATOM 600 CE2 TYR A 446 -11.453 31.846 63.807 1.00 13.23 C

ATOM 601 CZ TYR A 446 -12.529 31.673 64.652 1.00 14.95 C

ATOM 602 OH TYR A 446 -12.912 32.690 65.496 1.00 16.15 O

ATOM 603 N GLY A 447 -11.075 30.893 59.624 1.00 12.39 N

ATOM 604 CA GLY A 447 -10.238 31.988 59.162 1.00 11.24 C

ATOM 605 C GLY A 447 -9.563 31.757 57.820 1.00 12.59 C

ATOM 606 O GLY A 447 -8.502 32.316 57.545 1.00 12.64 O

ATOM 607 N GLY A 448 -10.174 30.937 56.971 1.00 12.88 N

ATOM 608 CA GLY A 448 -9.593 30.649 55.675 1.00 11.83 C

ATOM 609 C GLY A 448 -10.286 31.335 54.515 1.00 11.53 C

ATOM 610 O GLY A 448 -10.926 32.368 54.676 1.00 9.70 O

ATOM 611 N GLN A 449 -10.146 30.752 53.334 1.00 12.28 N

ATOM 612 CA GLN A 449 -10.815 31.267 52.153 1.00 14.47 C

ATOM 613 C GLN A 449 -11.153 30.126 51.202 1.00 12.26 C

ATOM 614 O GLN A 449 -10.686 29.000 51.382 1.00 11.56 O

ATOM 615 CB GLN A 449 -9.947 32.311 51.454 1.00 17.73 C

ATOM 616 CG GLN A 449 -8.694 31.740 50.849 1.00 21.98 C

ATOM 617 CD GLN A 449 -7.684 32.811 50.518 1.00 26.36 C

ATOM 618 OE1 GLN A 449 -7.810 33.495 49.501 1.00 28.68 O

ATOM 619 NE2 GLN A 449 -6.679 32.965 51.373 1.00 27.30 N

ATOM 620 N LYS A 450 -11.965 30.430 50.196 1.00 10.17 N

ATOM 621 CA LYS A 450 -12.513 29.422 49.292 1.00 9.90 C

ATOM 622 C LYS A 450 -11.481 28.887 48.312 1.00 9.21 C

ATOM 623 O LYS A 450 -10.803 29.655 47.623 1.00 10.04 O

ATOM 624 CB LYS A 450 -13.704 29.998 48.511 1.00 9.14 C

ATOM 625 CG LYS A 450 -14.409 28.982 47.617 1.00 9.41 C

ATOM 626 CD LYS A 450 -15.845 29.387 47.302 1.00 10.89 C

ATOM 627 CE LYS A 450 -15.907 30.364 46.137 1.00 11.74 C

ATOM 628 NZ LYS A 450 -17.296 30.589 45.643 1.00 12.07 N

ATOM 629 N ALA A 451 -11.383 27.566 48.241 1.00 9.07 N

ATOM 630 CA ALA A 451 -10.510 26.911 47.274 1.00 8.23 C

ATOM 631 C ALA A 451 -11.044 27.033 45.848 1.00 9.14 C

ATOM 632 O ALA A 451 -12.251 27.126 45.628 1.00 6.81 O

ATOM 633 CB ALA A 451 -10.326 25.450 47.637 1.00 6.47 C

ATOM 634 N LYS A 452 -10.128 27.027 44.884 1.00 11.13 N

ATOM 635 CA LYS A 452 -10.485 27.055 43.476 1.00 13.97 C

ATOM 636 C LYS A 452 -10.310 25.658 42.910 1.00 14.02 C

ATOM 637 O LYS A 452 -9.653 24.823 43.520 1.00 16.31 O

ATOM 638 CB LYS A 452 -9.600 28.052 42.718 1.00 15.51 C

ATOM 639 CG LYS A 452 -9.992 29.505 42.943 1.00 18.10 C

ATOM 640 CD LYS A 452 -8.939 30.460 42.410 1.00 21.06 C

ATOM 641 CE LYS A 452 -9.570 31.752 41.917 1.00 22.61 C

ATOM 642 NZ LYS A 452 -9.046 32.159 40.580 1.00 23.65 N

ATOM 643 N PRO A 453 -10.913 25.395 41.756 1.00 14.65 N

ATOM 644 CA PRO A 453 -10.721 24.114 41.069 1.00 13.52 C

ATOM 645 C PRO A 453 -9.236 23.871 40.847 1.00 12.28 C

ATOM 646 O PRO A 453 -8.525 24.791 40.450 1.00 11.52 O

ATOM 647 CB PRO A 453 -11.434 24.327 39.733 1.00 13.27 C

ATOM 648 CG PRO A 453 -12.469 25.358 40.029 1.00 14.37 C

ATOM 649 CD PRO A 453 -11.833 26.289 41.029 1.00 14.24 C

ATOM 650 N GLY A 454 -8.774 22.660 41.137 1.00 11.35 N

ATOM 651 CA GLY A 454 -7.376 22.313 40.966 1.00 10.78 C

ATOM 652 C GLY A 454 -6.466 22.691 42.122 1.00 11.19 C

ATOM 653 O GLY A 454 -5.294 22.313 42.130 1.00 11.27 O

ATOM 654 N ASP A 455 -6.983 23.444 43.091 1.00 9.92 N

ATOM 655 CA ASP A 455 -6.179 23.834 44.248 1.00 10.48 C

ATOM 656 C ASP A 455 -5.787 22.607 45.071 1.00 9.00 C

ATOM 657 O ASP A 455 -4.611 22.408 45.380 1.00 8.89 O

ATOM 658 CB ASP A 455 -6.934 24.827 45.133 1.00 12.63 C

ATOM 659 CG ASP A 455 -6.795 26.271 44.656 1.00 13.82 C

ATOM 660 OD1 ASP A 455 -6.051 26.514 43.678 1.00 13.03 O

ATOM 661 OD2 ASP A 455 -7.395 27.224 45.202 1.00 13.74 O

ATOM 662 N PHE A 456 -6.785 21.795 45.411 1.00 7.62 N

ATOM 663 CA PHE A 456 -6.606 20.595 46.216 1.00 7.44 C

ATOM 664 C PHE A 456 -7.252 19.384 45.534 1.00 8.96 C

ATOM 665 O PHE A 456 -8.294 18.899 45.973 1.00 9.60 O

ATOM 666 CB PHE A 456 -7.224 20.811 47.598 1.00 6.16 C

ATOM 667 CG PHE A 456 -6.704 22.035 48.307 1.00 7.30 C

ATOM 668 CD1 PHE A 456 -7.366 23.246 48.204 1.00 5.39 C

ATOM 669 CD2 PHE A 456 -5.544 21.970 49.066 1.00 5.97 C

ATOM 670 CE1 PHE A 456 -6.885 24.372 48.846 1.00 5.55 C

ATOM 671 CE2 PHE A 456 -5.058 23.084 49.713 1.00 6.31 C

ATOM 672 CZ PHE A 456 -5.729 24.295 49.600 1.00 6.67 C

ATOM 673 N PRO A 457 -6.643 18.902 44.454 1.00 9.76 N

ATOM 674 CA PRO A 457 -7.268 17.867 43.621 1.00 10.27 C

ATOM 675 C PRO A 457 -7.276 16.481 44.279 1.00 11.01 C

ATOM 676 O PRO A 457 -7.979 15.586 43.813 1.00 12.21 O

ATOM 677 CB PRO A 457 -6.409 17.870 42.356 1.00 9.34 C

ATOM 678 CG PRO A 457 -5.076 18.406 42.785 1.00 8.36 C

ATOM 679 CD PRO A 457 -5.325 19.319 43.939 1.00 10.50 C

ATOM 680 N TRP A 458 -6.514 16.318 45.354 1.00 9.19 N

ATOM 681 CA TRP A 458 -6.524 15.085 46.129 1.00 8.98 C

ATOM 682 C TRP A 458 -7.641 15.087 47.179 1.00 9.81 C

ATOM 683 O TRP A 458 -7.892 14.064 47.821 1.00 9.56 O

ATOM 684 CB TRP A 458 -5.193 14.926 46.840 1.00 6.17 C

ATOM 685 CG TRP A 458 -4.817 16.172 47.556 1.00 6.45 C

ATOM 686 CD1 TRP A 458 -5.291 16.607 48.773 1.00 5.45 C

ATOM 687 CD2 TRP A 458 -3.914 17.180 47.096 1.00 4.57 C

ATOM 688 NE1 TRP A 458 -4.724 17.818 49.093 1.00 5.78 N

ATOM 689 CE2 TRP A 458 -3.873 18.192 48.082 1.00 5.68 C

ATOM 690 CE3 TRP A 458 -3.125 17.331 45.953 1.00 4.12 C

ATOM 691 CZ2 TRP A 458 -3.070 19.324 47.955 1.00 5.76 C

ATOM 692 CZ3 TRP A 458 -2.334 18.459 45.831 1.00 4.28 C

ATOM 693 CH2 TRP A 458 -2.310 19.434 46.823 1.00 5.33 C

ATOM 694 N GLN A 459 -8.300 16.230 47.361 1.00 10.06 N

ATOM 695 CA GLN A 459 -9.300 16.355 48.412 1.00 10.71 C

ATOM 696 C GLN A 459 -10.458 15.393 48.188 1.00 11.43 C

ATOM 697 O GLN A 459 -11.037 15.335 47.105 1.00 10.44 O

ATOM 698 CBG GLN A 459 -9.811 17.796 48.540 1.00 10.45 C

ATOM 699 CG GLN A 459 -10.834 17.983 49.664 1.00 9.66 C

ATOM 700 CD GLN A 459 -10.193 18.098 51.046 1.00 10.97 C

ATOM 701 OE1 GLN A 459 -10.858 17.879 52.064 1.00 12.81 O

ATOM 702 NE2 GLN A 459 -8.916 18.446 51.086 1.00 8.00 N

ATOM 703 N VAL A 460 -10.786 14.639 49.225 1.00 9.67 N

ATOM 704 CA VAL A 460 -11.819 13.629 49.131 1.00 11.04 C

ATOM 705 C VAL A 460 -12.856 13.870 50.227 1.00 10.62 C

ATOM 706 O VAL A 460 -12.505 14.205 51.357 1.00 10.37 O

ATOM 707 CB VAL A 460 -11.193 12.206 49.252 1.00 11.65 C

ATOM 708 CG1 VAL A 460 -12.189 11.211 49.777 1.00 11.83 C

ATOM 709 CG2 VAL A 460 -10.650 11.746 47.907 1.00 12.24 C

ATOM 710 N LEU A 461 -14.128 13.725 49.878 1.00 10.36 N

ATOM 711 CA LEU A 461 -15.216 13.792 50.850 1.00 10.21 C

ATOM 712 C LEU A 461 -15.675 12.385 51.233 1.00 12.00 C

ATOM 713 0 LEU A 461 -15.897 11.540 50.365 1.00 10.00 O

ATOM 714 CB LEU A 461 -16.394 14.579 50.278 1.00 8.70 C

ATOM 715 CG LEU A 461 -17.658 14.658 51.139 1.00 9.46 C

ATOM 716 CD1 LEU A 461 -17.464 15.625 52.302 1.00 7.51 C

ATOM 717 CD2 LEU A 461 -18.862 15.050 50.283 1.00 9.06 C

ATOM 718 N ILE A 462 -15.817 12.150 52.537 1.00 12.27 N

ATOM 719 CA ILE A 462 -16.218 10.851 53.065 1.00 12.46 C

ATOM 720 C ILE A 462 -17.504 10.981 53.878 1.00 15.06 C

ATOM 721 O ILE A 462 -17.547 11.699 54.879 1.00 13.56 O

ATOM 722 CB ILE A 462 -15.097 10.259 53.936 1.00 10.58 C

ATOM 723 CG1 ILE A 462 -13.796 10.176 53.131 1.00 9.72 C

ATOM 724 CG2 ILE A 462 -15.514 8.894 54.498 1.00 9.81 C

ATOM 725 CD1 ILE A 462 -12.616 9.597 53.898 1.00 7.62 C

ATOM 726 N LEU A 463 -18.549 10.285 53.434 1.00 18.09 N

ATOM 727 CA LEU A 463 -19.865 10.370 54.062 1.00 23.87 C

ATOM 728 C LEU A 463 -20.138 9.143 54.927 1.00 27.43 C

ATOM 729 O LEU A 463 -19.252 8.315 55.136 1.00 29.43 O

ATOM 730 CB LEU A 463 -20.961 10.505 53.001 1.00 23.99 C

ATOM 731 CG LEU A 463 -21.009 11.776 52.148 1.00 24.74 C

ATOM 732 CD1 LEU A 463 -22.413 11.981 51.618 1.00 26.73 C

ATOM 733 CD2 LEU A 463 -20.566 12.994 52.932 1.00 26.61 C

ATOM 734 N GLY A 464 -21.363 9.030 55.432 1.00 31.42 N

ATOM 735 CA GLY A 464 -21.757 7.865 56.206 1.00 35.17 C

ATOM 736 C GLY A 464 -21.821 8.116 57.702 1.00 36.55 C

ATOM 737 O GLY A 464 -22.773 7.702 58.366 1.00 38.43 O

ATOM 738 N GLY A 465 -20.798 8.775 58.237 1.00 36.75 N

ATOM 739 CA GLY A 465 -20.824 9.231 59.615 1.00 36.60 C

ATOM 740 C GLY A 465 -21.071 10.724 59.601 1.00 36.39 C

ATOM 741 O GLY A 465 -21.864 11.215 58.797 1.00 37.37 O

ATOM 742 N THR A 466 -20.394 11.457 60.476 1.00 35.19 N

ATOM 743 CA THR A 466 -20.433 12.910 60.409 1.00 34.12 C

ATOM 744 C THR A 466 -19.447 13.361 59.335 1.00 32.27 C

ATOM 745 O THR A 466 -18.546 12.608 58.968 1.00 32.48 O

ATOM 746 CB THR A 466 -20.092 13.528 61.778 1.00 35.77 C

ATOM 747 OG1 THR A 466 -18.887 12.940 62.286 1.00 36.06 O

ATOM 748 CG2 THR A 466 -21.145 13.138 62.821 1.00 36.05 C

ATOM 749 N THR A 467 -19.617 14.575 58.819 1.00 28.06 N

ATOM 750 CA THR A 467 -18.755 15.060 57.742 1.00 24.67 C

ATOM 751 C THR A 467 -17.281 14.797 58.042 1.00 20.23 C

ATOM 752 O THR A 467 -16.784 15.146 59.114 1.00 19.17 O

ATOM 753 CB THR A 467 -18.976 16.568 57.483 1.00 25.51 C

ATOM 754 OG1 THR A 467 -20.302 16.778 56.990 1.00 26.79 O

ATOM 755 CG2 THR A 467 -18.098 17.048 56.330 1.00 25.46 C

ATOM 756 N ALA A 468 -16.594 14.174 57.090 1.00 15.95 N

ATOM 757 CA ALA A 468 -15.159 13.937 57.214 1.00 13.58 C

ATOM 758 C ALA A 468 -14.496 13.959 55.837 1.00 11.95 C

ATOM 759 O ALA A 468 -15.174 14.044 54.816 1.00 11.88 O

ATOM 760 CB ALA A 468 -14.893 12.617 57.936 1.00 11.41 C

ATOM 761 N ALA A 469 -13.171 13.875 55.810 1.00 11.60 N

ATOM 762 CA ALA A 469 -12.436 14.001 54.554 1.00 10.24 C

ATOM 763 C ALA A 469 -11.253 13.051 54.477 1.00 9.58 C

ATOM 764 O ALA A 469 -10.889 12.409 55.464 1.00 9.63 O

ATOM 765 CB ALA A 469 -11.956 15.445 54.364 1.00 8.31 C

ATOM 766 N GLY A 470 -10.644 12.982 53.295 1.00 7.67 N

ATOM 767 CA GLY A 470 -9.396 12.269 53.127 1.00 7.25 C

ATOM 768 C GLY A 470 -8.550 12.862 52.020 1.00 8.93 C

ATOM 769 O GLY A 470 -8.850 13.930 51.478 1.00 9.11 O

ATOM 770 N ALA A 471 -7.478 12.166 51.673 1.00 7.28 N

ATOM 771 CA ALA A 471 -6.661 12.593 50.550 1.00 6.94 C

ATOM 772 C ALA A 471 -6.342 11.398 49.670 1.00 5.65 C

ATOM 773 O ALA A 471 -5.937 10.345 50.162 1.00 6.03 O

ATOM 774 CB ALA A 471 -5.381 13.269 51.038 1.00 6.12 C

ATOM 775 N LEU A 472 -6.547 11.562 48.370 1.00 4.24 N

ATOM 776 CA LEU A 472 -6.233 10.521 47.404 1.00 4.19 C

ATOM 777 C LEU A 472 -4.735 10.196 47.371 1.00 5.66 C

ATOM 778 O LEU A 472 -3.896 11.094 47.292 1.00 5.25 O

ATOM 779 CB LEU A 472 -6.701 10.946 46.005 1.00 3.44 C

ATOM 780 CG LEU A 472 -6.459 9.914 44.898 1.00 4.46 C

ATOM 781 CD1 LEU A 472 -7.324 8.673 45.149 1.00 3.03 C

ATOM 782 CD2 LEU A 472 -6.733 10.498 43.516 1.00 3.23 C

ATOM 783 N LEU A 473 -4.412 8.906 47.435 1.00 6.09 N

ATOM 784 CA LEU A 473 -3.065 8.425 47.139 1.00 5.13 C

ATOM 785 C LEU A 473 -3.136 7.503 45.919 1.00 5.82 C

ATOM 786 O LEU A 473 -4.085 6.718 45.778 1.00 4.64 O

ATOM 787 CB LEU A 473 -2.488 7.652 48.328 1.00 6.36 C

ATOM 788 CG LEU A 473 -2.216 8.372 49.659 1.00 6.10 C

ATOM 789 CD1 LEU A 473 -1.767 7.357 50.708 1.00 4.00 C

ATOM 790 CD2 LEU A 473 -1.165 9.465 49.498 1.00 4.88 C

ATOM 791 N TYR A 474 -2.128 7.577 45.048 1.00 5.66 N

ATOM 792 CA TYR A 474 -2.140 6.793 43.816 1.00 5.06 C

ATOM 793 C TYR A 474 -3.467 7.067 43.120 1.00 5.60 C

ATOM 794 O TYR A 474 -3.968 8.171 43.209 1.00 8.10 O

ATOM 795 CB TYR A 474 -1.903 5.300 44.118 1.00 5.47 C

ATOM 796 CG TYR A 474 -0.568 5.087 44.792 1.00 6.82 C

ATOM 797 CD1 TYR A 474 -0.458 5.107 46.181 1.00 6.56 C

ATOM 798 CD2 TYR A 474 0.594 4.929 44.045 1.00 6.19 C

ATOM 799 CE1 TYR A 474 0.764 4.949 46.812 1.00 6.95 C

ATOM 800 CE2 TYR A 474 1.834 4.767 44.672 1.00 7.42 C

ATOM 801 CZ TYR A 474 1.905 4.782 46.059 1.00 7.92 C

ATOM 802 OH TYR A 474 3.112 4.633 46.704 1.00 9.27 O

ATOM 803 N ASP A 475 -4.040 6.092 42.428 1.00 6.51 N

ATOM 804 CA ASP A 475 -5.372 6.275 41.856 1.00 7.02 C

ATOM 805 C ASP A 475 -6.401 5.354 42.512 1.00 6.45 C

ATOM 806 O ASP A 475 -7.480 5.168 41.970 1.00 6.70 O

ATOM 807 CB ASP A 475 -5.361 6.026 40.341 1.00 6.21 C

ATOM 808 CG ASP A 475 -4.693 4.717 39.975 1.00 8.96 C

ATOM 809 OD1 ASP A 475 -4.415 3.908 40.889 1.00 9.92 O

ATOM 810 OD2 ASP A 475 -4.393 4.407 38.802 1.00 11.17 O

ATOM 811 N ASN A 476 -6.080 4.768 43.661 1.00 5.08 N

ATOM 812 CA ASN A 476 -7.003 3.809 44.269 1.00 6.17 C

ATOM 813 C ASN A 476 -6.929 3.676 45.790 1.00 6.69 C

ATOM 814 O ASN A 476 -7.435 2.700 46.352 1.00 5.18 O

ATOM 815 CB ASN A 476 -6.843 2.432 43.618 1.00 7.75 C

ATOM 816 CG ASN A 476 -5.446 1.851 43.807 1.00 9.09 C

ATOM 817 OD1 ASN A 476 -4.468 2.579 44.017 1.00 9.27 O

ATOM 818 ND2 ASN A 476 -5.350 0.532 43.737 1.00 9.48 N

ATOM 819 N TRP A 477 -6.308 4.657 46.447 1.00 6.28 N

ATOM 820 CA TRP A 477 -6.227 4.680 47.905 1.00 6.22 C

ATOM 821 C TRP A 477 -6.631 6.048 48.465 1.00 7.96 C

ATOM 822 O TRP A 477 -6.487 7.076 47.800 1.00 7.00 O

ATOM 823 CB TRP A 477 -4.817 4.338 48.381 1.00 4.65 C

ATOM 824 CG TRP A 477 -4.428 2.896 48.219 1.00 6.04 C

ATOM 825 CD1 TRP A 477 -3.808 2.337 47.146 1.00 5.21 C

ATOM 826 CD2 TRP A 477 -4.626 1.835 49.164 1.00 4.86 C

ATOM 827 NE1 TRP A 477 -3.610 0.995 47.360 1.00 6.89 N

ATOM 828 CE2 TRP A 477 -4.100 0.663 48.595 1.00 5.64 C

ATOM 829 CE3 TRP A 477 -5.198 1.758 50.440 1.00 6.68 C

ATOM 830 CZ2 TRP A 477 -4.131 -0.572 49.248 1.00 6.35 C

ATOM 831 CZ3 TRP A 477 -5.227 0.530 51.092 1.00 6.95 C

ATOM 832 CH2 TRP A 477 -4.698 -0.615 50.494 1.00 7.82 C

ATOM 833 N VAL A 478 -7.125 6.053 49.699 1.00 6.86 N

ATOM 834 CA VAL A 478 -7.445 7.301 50.367 1.00 5.68 C

ATOM 835 C VAL A 478 -6.841 7.299 51.766 1.00 7.07 C

ATOM 836 O VAL A 478 -7.102 6.393 52.567 1.00 9.13 O

ATOM 837 CB VAL A 478 -8.978 7.543 50.438 1.00 5.69 C

ATOM 838 CG1 VAL A 478 -9.304 8.691 51.398 1.00 3.83 C

ATOM 839 CG2 VAL A 478 -9.548 7.831 49.045 1.00 4.38 C

ATOM 840 N LEU A 479 -6.014 8.302 52.045 1.00 5.35 N

ATOM 841 CA LEU A 479 -5.456 8.499 53.375 1.00 7.43 C

ATOM 842 C LEU A 479 -6.409 9.353 54.203 1.00 6.70 C

ATOM 843 O LEU A 479 -6.853 10.400 53.745 1.00 6.83 O

ATOM 844 CB LEU A 479 -4.089 9.192 53.285 1.00 7.13 C

ATOM 845 CG LEU A 479 -3.302 9.385 54.593 1.00 8.23 C

ATOM 846 CD1 LEU A 479 -2.905 8.041 55.195 1.00 6.49 C

ATOM 847 CD2 LEU A 479 -2.060 10.259 54.377 1.00 5.99 C

ATOM 848 N THR A 480 -6.724 8.906 55.417 1.00 6.66 N

ATOM 849 CA THR A 480 -7.620 9.658 56.295 1.00 5.12 C

ATOM 850 C THR A 480 -7.296 9.431 57.771 1.00 7.58 C

ATOM 851 O THR A 480 -6.295 8.796 58.104 1.00 8.56 O

ATOM 852 CB THR A 480 -9.096 9.296 56.005 1.00 5.03 C

ATOM 853 OG1 THR A 480 -9.951 10.106 56.819 1.00 2.90 O

ATOM 854 CG2 THR A 480 -9.417 7.861 56.463 1.00 2.01 C

ATOM 855 N ALA A 481 -8.136 9.962 58.656 1.00 5.69 N

ATOM 856 CA ALA A 481 -7.960 9.747 60.087 1.00 7.11 C

ATOM 857 C ALA A 481 -8.737 8.496 60.509 1.00 8.87 C

ATOM 858 O ALA A 481 -9.828 8.256 60.006 1.00 9.55 O

ATOM 859 CB ALA A 481 -8.443 10.962 60.876 1.00 4.00 C

ATOM 860 N ALA A 482 -8.179 7.706 61.425 1.00 6.77 N

ATOM 861 CA ALA A 482 -8.890 6.545 61.949 1.00 6.36 C

ATOM 862 C ALA A 482 -10.203 6.951 62.617 1.00 7.74 C

ATOM 863 O ALA A 482 -11.220 6.279 62.451 1.00 7.75 O

ATOM 864 CB ALA A 482 -8.016 5.767 62.932 1.00 4.63 C

ATOM 865 N HIS A 483 -10.185 8.051 63.368 1.00 7.80 N

ATOM 866 CA HIS A 483 -11.372 8.456 64.116 1.00 7.88 C

ATOM 867 C HIS A 483 -12.509 8.807 63.166 1.00 8.67 C

ATOM 868 O HIS A 483 -13.687 8.655 63.502 1.00 10.96 O

ATOM 869 CB HIS A 483 -11.073 9.609 65.089 1.00 5.29 C

ATOM 870 CG HIS A 483 -11.148 10.968 64.466 1.00 7.20 C

ATOM 871 ND1 HIS A 483 -10.039 11.624 63.974 1.00 5.11 N

ATOM 872 CD2 HIS A 483 -12.200 11.794 64.251 1.00 8.06 C

ATOM 873 CE1 H1S A 483 -10.403 12.791 63.476 1.00 6.39 C

ATOM 874 NE2 HIS A 483 -11.709 12.921 63.633 1.00 8.86 N

ATOM 875 N ALA A 484 -12.151 9.253 61.969 1.00 7.87 N

ATOM 876 CA ALA A 484 -13.143 9.664 60.984 1.00 7.33 C

ATOM 877 C ALA A 484 -13.927 8.489 60.401 1.00 8.26 C

ATOM 878 O ALA A 484 -15.061 8.660 59.969 1.00 6.84 O

ATOM 879 CB ALA A 484 -12.480 10.468 59.866 1.00 7.47 C

ATOM 880 N VAL A 485 -13.328 7.301 60.378 1.00 7.89 N

ATOM 881 CA VAL A 485 -13.952 6.159 59.700 1.00 8.51 C

ATOM 882 C VAL A 485 -14.133 4.927 60.581 1.00 9.72 C

ATOM 883 O VAL A 485 -14.681 3.915 60.130 1.00 8.07 O

ATOM 884 CB VAL A 485 -13.168 5.745 58.425 1.00 7.70 C

ATOM 885 CG1 VAL A 485 -13.102 6.901 57.431 1.00 8.48 C

ATOM 886 CG2 VAL A 485 -11.767 5.256 58.782 1.00 6.34 C

ATOM 887 N TYR A 486 -13.685 5.017 61.830 1.00 9.67 N

ATOM 888 CA TYR A 486 -13.720 3.875 62.746 1.00 12.09 C

ATOM 889 C TYR A 486 -15.113 3.275 62.884 1.00 13.32 C

ATOM 890 O TYR A 486 -15.286 2.061 62.786 1.00 13.45 O

ATOM 891 CB TYR A 486 -13.194 4.272 64.131 1.00 12.46 C

ATOM 892 CG TYR A 486 -13.001 3.105 65.081 1.00 14.21 C

ATOM 893 CD1 TYR A 486 -11.780 2.454 65.164 1.00 14.62 C

ATOM 894 CD2 TYR A 486 -14.039 2.659 65.895 1.00 14.90 C

ATOM 895 CE1 TYR A 486 -11.591 1.392 66.026 1.00 15.96 C

ATOM 896 CE2 TYR A 486 -13.861 1.593 66.763 1.00 16.46 C

ATOM 897 CZ TYR A 486 -12.632 0.964 66.822 1.00 17.58 C

ATOM 898 OH TYR A 486 -12.432 -0.096 67.682 1.00 20.56 O

ATOM 899 N GLU A 487 -16.106 4.130 63.115 1.00 16.53 N

ATOM 900 CA GLU A 487 -17.468 3.665 63.368 1.00 19.72 C

ATOM 901 C GLU A 487 -18.079 2.975 62.151 1.00 19.67 C

ATOM 902 O GLU A 487 -18.748 1.947 62.275 1.00 19.74 O

ATOM 903 CB GLU A 487 -18.356 4.823 63.817 1.00 21.04 C

ATOM 904 CG GLU A 487 -19.671 4.384 64.429 1.00 25.53 C

ATOM 905 CD GLU A 487 -20.636 5.540 64.616 1.00 28.51 C

ATOM 906 OE1 GLU A 487 -20.169 6.669 64.895 1.00 29.76 O

ATOM 907 OE2 GLU A 487 -21.862 5.318 64.484 1.00 30.51 O

ATOM 908 N GLN A 488 -17.838 3.543 60.977 1.00 20.05 N

ATOM 909 CA GLN A 488 -18.378 2.995 59.743 1.00 22.96 C

ATOM 910 C GLN A 488 -17.729 1.666 59.371 1.00 22.42 C

ATOM 911 O GLN A 488 -18.409 0.739 58.931 1.00 21.32 O

ATOM 912 CB GLN A 488 -18.219 3.995 58.602 1.00 25.35 C

ATOM 913 CG GLN A 488 -19.449 4.847 58.368 1.00 29.51 C

ATOM 914 CD GLN A 488 -19.440 5.501 57.001 1.00 32.65 C

ATOM 915 OE1 GLN A 488 -20.049 4.989 56.053 1.00 33.73 O

ATOM 916 NE2 GLN A 488 -18.743 6.630 56.890 1.00 33.50 N

ATOM 917 N LYS A 489 -16.417 1.576 59.548 1.00 22.30 N

ATOM 918 CA LYS A 489 -15.701 0.349 59.222 1.00 23.21 C

ATOM 919 C LYS A 489 -16.187 -0.813 60.092 1.00 25.15 C

ATOM 920 O LYS A 489 -16.417 -1.921 59.594 1.00 25.74 O

ATOM 921 CB LYS A 489 -14.194 0.550 59.372 1.00 21.76 C

ATOM 922 CG LYS A 489 -13.549 -0.368 60.379 1.00 23.22 C

ATOM 923 CD LYS A 489 -12.310 -1.021 59.825 1.00 23.13 C

ATOM 924 CE LYS A 489 -12.524 -2.507 59.634 1.00 23.24 C

ATOM 925 NZ LYS A 489 -11.259 -3.266 59.772 1.00 21.59 N

ATOM 926 N HIS A 490 -16.365 -0.546 61.387 1.00 26.45 N

ATOM 927 CA HIS A 490 -16.765 -1.577 62.342 1.00 27.07 C

ATOM 928 C HIS A 490 -18.274 -1.781 62.379 1.00 27.22 C

ATOM 929 O HIS A 490 -18.788 -2.529 63.202 1.00 28.07 O

ATOM 930 CB HIS A 490 -16.213 -1.279 63.742 1.00 27.04 C

ATOM 931 CG HIS A 490 -14.750 -1.562 63.878 1.00 27.59 C

ATOM 932 ND1 HIS A 490 -13.811 -0.566 64.038 1.00 27.90 N

ATOM 933 CD2 HIS A 490 -14.061 -2.728 63.854 1.00 28.06 C

ATOM 934 CE1 HIS A 490 -12.607 -1.108 64.117 1.00 27.81 C

ATOM 935 NE2 HIS A 490 -12.732 -2.419 64.008 1.00 28.00 N

ATOM 936 N ASP A 491 -18.985 -1.112 61.483 1.00 26.54 N

ATOM 937 CA ASP A 491 -20.385 -1.436 61.258 1.00 25.64 C

ATOM 938 C ASP A 491 -20.503 -2.147 59.899 1.00 23.87 C

ATOM 939 O ASP A 491 -21.598 -2.405 59.405 1.00 22.75 O

ATOM 940 CB ASP A 491 -21.277 -0.185 61.426 1.00 27.25 C

ATOM 941 CG AASP A 491 -21.967 0.240 60.148 0.50 28.08 C

ATOM 942 CG BASP A 491 -21.750 0.010 62.858 0.50 28.19 C

ATOM 943 OD1AASP A 491 -21.331 0.943 59.338 0.50 28.24 O

ATOM 944 OD1BASP A 491 -21.177 -0.618 63.775 0.50 28.45 O

ATOM 945 OD2AASP A 491 -23.155 -0.053 59.883 0.50 28.60 O

ATOM 946 OD2BASP A 491 -22.692 0.772 63.162 0.50 28.53 O

ATOM 947 N ALA A 492 -19.341 -2.493 59.335 1.00 23.80 N

ATOM 948 CA ALA A 492 -19.234 -3.241 58.079 1.00 23.39 C

ATOM 949 C ALA A 492 -19.983 -2.557 56.939 1.00 24.11 C

ATOM 950 O ALA A 492 -20.608 -3.212 56.099 1.00 23.75 O

ATOM 951 CB ALA A 492 -19.721 -4.683 58.263 1.00 22.30 C

ATOM 952 N SER A 493 -19.920 -1.231 56.925 1.00 23.60 N

ATOM 953 CA SER A 493 -20.596 -0.438 55.911 1.00 24.75 C

ATOM 954 C SER A 493 -19.571 0.173 54.970 1.00 22.71 C

ATOM 955 O SER A 493 -18.650 0.847 55 415 1.00 22.13 O

ATOM 956 CB SER A 493 -21.414 0.677 56.567 1.00 26.26 C

ATOM 957 OG SER A 493 -22.596 0.170 57.163 1.00 28.63 O

ATOM 958 N ALA A 494 -19.730 -0.075 53.675 1.00 21.94 N

ATOM 959 CA ALA A 494 -18.863 0.524 52.669 1.00 21.49 C

ATOM 960 C ALA A 494 -18.975 2.048 52.735 1.00 20.54 C

ATOM 961 O ALA A 494 -20.062 2.587 52.935 1.00 20.43 O

ATOM 962 CB ALA A 494 -19.232 0.017 51.277 1.00 20.03 C

ATOM 963 N LEU A 495 -17.850 2.739 52.580 1.00 19.53 N

ATOM 964 CA LEU A 495 -17.827 4.201 52.677 1.00 16.45 C

ATOM 965 C LEU A 495 -18.201 4.843 51.351 1.00 14.38 C

ATOM 966 O LEU A 495 -17.728 4.415 50.295 1.00 13.60 O

ATOM 967 CB LEU A 495 -16.441 4.702 53.108 1.00 16.38 C

ATOM 968 CG LEU A 495 -15.839 4.090 54.372 1.00 18.39 C

ATOM 969 CD1 LEU A 495 -14.558 4.802 54.773 1.00 19.05 C

ATOM 970 CD2 LEU A 495 -16.838 4.119 55.507 1.00 19.87 C

ATOM 971 N ASP A 496 -19.056 5.864 51.427 1.00 13.74 N

ATOM 972 CA ASP A 496 -19.458 6.683 50.287 1.00 13.13 C

ATOM 973 C ASP A 496 -18.402 7.760 50.091 1.00 13.33 C

ATOM 974 O ASP A 496 -18.300 8.700 50.887 1.00 14.21 O

ATOM 975 CB ASP A 496 -20.815 7.342 50.560 1.00 14.13 C

ATOM 976 CG ASP A 496 -21.441 7.969 49.309 1.00 14.62 C

ATOM 977 OD1 ASP A 496 -20.704 8.433 48.415 1.00 13.76 O

ATOM 978 OD2 ASP A 496 -22.675 8.045 49.138 1.00 14.83 O

ATOM 979 N ILE A 497 -17.612 7.616 49.034 1.00 11.15 N

ATOM 980 CA ILE A 497 -16.453 8.469 48.839 1.00 10.21 C

ATOM 981 C ILE A 497 -16.618 9.283 47.572 1.00 8.58 C

ATOM 982 O ILE A 497 -16.897 8.727 46.515 1.00 8.01 O

ATOM 983 CB ILE A 497 -15.172 7.602 48.797 1.00 10.89 C

ATOM 984 CG1 ILE A 497 -14.883 7.042 50.193 1.00 10.19 C

ATOM 985 CG2 ILE A 497 -13.988 8.403 48.262 1.00 10.16 C

ATOM 986 CD1 ILE A 497 -13.875 5.933 50.210 1.00 10.49 C

ATOM 987 N ARG A 498 -16.454 10.599 47.693 1.00 7.97 N

ATOM 988 CA ARG A 498 -16.702 11.525 46.593 1.00 8.36 C

ATOM 989 C ARG A 498 -15.525 12.454 46.365 1.00 10.00 C

ATOM 990 O ARG A 498 -14.988 13.036 47.304 1.00 11.03 O

ATOM 991 CB ARG A 498 -17.961 12.360 46.864 1.00 7.70 C

ATOM 992 CG ARG A 498 -19.143 11.533 47.335 1.00 8.82 C

ATOM 993 CD ARG A 498 -20.431 12.294 47.588 1.00 7.86 C

ATOM 994 NE ARG A 498 -21.485 11.369 47.992 1.00 9.50 N

ATOM 995 CZ ARG A 498 -22.741 11.716 48.267 1.00 11.34 C

ATOM 996 NH1 ARG A 498 -23.117 12.985 48.191 1.00 12.17 N

ATOM 997 NH2 ARG A 498 -23.624 10.793 48.626 1.00 9.69 N

ATOM 998 N MET A 499 -15.130 12.613 45.108 1.00 10.91 N

ATOM 999 CA MET A 499 -14.070 13.563 44.795 1.00 11.41 C

ATOM 1000 C MET A 499 -14.388 14.371 43.549 1.00 9.81 C

ATOM 1001 O MET A 499 -15.454 14.223 42.965 1.00 7.62 O

ATOM 1002 CB MET A 499 -12.716 12.864 44.662 1.00 15.03 C

ATOM 1003 CG MET A 499 -12.755 11.506 44.015 1.00 17.82 C

ATOM 1004 SD MET A 499 -11.302 10.531 44.481 1.00 22.32 S

ATOM 1005 CE MET A 499 -12.056 8.985 44.776 1.00 20.00 C

ATOM 1006 N GLY A 500 -13.460 15.239 43.162 1.00 8.66 N

ATOM 1007 CA GLY A 500 -13.625 16.066 41.982 1.00 10.01 C

ATOM 1008 C GLY A 500 -14.665 17.161 42.124 1.00 11.34 C

ATOM 1009 O GLY A 500 -15.073 17.759 41.125 1.00 12.90 O

ATOM 1010 N THR A 501 -15.106 17.421 43.353 1.00 10.79 N

ATOM 1011 CA THR A 501 -16.099 18.472 43.605 1.00 11.93 C

ATOM 1012 C THR A 501 -15.700 19.407 44.747 1.00 11.10 C

ATOM 1013 O THR A 501 -15.132 18.974 45.748 1.00 10.88 O

ATOM 1014 CB THR A 501 -17.488 17.866 43.892 1.00 13.13 C

ATOM 1015 OG1 THR A 501 -18.433 18.921 44.114 1.00 13.32 O

ATOM 1016 CG2 THR A 501 -17.490 17.114 45.220 1.00 13.50 C

ATOM 1017 N LEU A 502 -16.013 20.691 44.585 1.00 11.94 N

ATOM 1018 CA LEU A 502 -15.699 21.702 45.589 1.00 10.84 C

ATOM 1019 C LEU A 502 -16.877 21.857 46.533 1.00 11.01 C

ATOM 1020 O LEU A 502 -16.713 22.270 47.681 1.00 10.50 O

ATOM 1021 CB LEU A 502 -15.413 23.049 44.927 1.00 10.68 C

ATOM 1022 CG LEU A 502 -14.123 23.220 44.120 1.00 12.43 C

ATOM 1023 CD1 LEU A 502 -14.106 24.594 43.453 1.00 11.55 C

ATOM 1024 CD2 LEU A 502 -12.900 23.039 45.000 1.00 10.51 C

ATOM 1025 N LYS A 503 -18.068 21.540 46.030 1.00 12.00 N

ATOM 1026 CA LYS A 503 -19.295 21.695 46.801 1.00 12.28 C

ATOM 1027 C LYS A 503 -19.671 20.385 47.456 1.00 11.84 C

ATOM 1028 O LYS A 503 -19.924 19.386 46.782 1.00 12.26 O

ATOM 1029 CB LYS A 503 -20.445 22.195 45.926 1.00 13.85 C

ATOM 1030 CG LYS A 503 -20.133 23.476 45.178 1.00 17.95 C

ATOM 1031 CD LYS A 503 -21.393 24.105 44.599 1.00 21.28 C

ATOM 1032 CE LYS A 503 -21.168 25.570 44.252 1.00 23.62 C

ATOM 1033 NZ LYS A 503 -21.884 25.945 43.001 1.00 26.98 N

ATOM 1034 N ARG A 504 -19.709 20.416 48.779 1.00 9.57 N

ATOM 1035 CA ARG A 504 -19.988 19.262 49.614 1.00 9.35 C

ATOM 1036 C ARG A 504 -21.320 18.581 49.277 1.00 9.48 C

ATOM 1037 O ARG A 504 -21.407 17.350 49.249 1.00 8.69 O

ATOM 1038 CB ARG A 504 -19.957 19.734 51.075 1.00 10.25 C

ATOM 1039 CG ARG A 504 -20.450 18.761 52.110 1.00 11.36 C

ATOM 1040 CD ARG A 504 -20.107 19.187 53.545 1.00 12.32 C

ATOM 1041 NE ARG A 504 -20.691 20.479 53.905 1.00 11.03 N

ATOM 1042 CZ ARG A 504 -21.908 20.631 54.413 1.00 11.92 C

ATOM 1043 NH1 ARG A 504 -22.678 19.571 54.633 1.00 12.78 N

ATOM 1044 NH2 ARG A 504 -22.360 21.840 54.705 1.00 9.30 N

ATOM 1045 N LEU A 505 -22.346 19.385 49.006 1.00 8.79 N

ATOM 1046 CA LEU A 505 -23.711 18.879 48.835 1.00 9.86 C

ATOM 1047 C LEU A 505 -24.147 18.817 47.372 1.00 9.36 C

ATOM 1048 O LEU A 505 -25.333 18.723 47.080 1.00 6.59 O

ATOM 1049 CB LEU A 505 -24.713 19.735 49.629 1.00 8.72 C

ATOM 1050 CG LEU A 505 -24.471 19.949 51.130 1.00 8.57 C

ATOM 1051 CD1 LEU A 505 -25.235 21.156 51.651 1.00 7.12 C

ATOM 1052 CD2 LEU A 505 -24.836 18.718 51.928 1.00 9.50 C

ATOM 1053 N SER A 506 -23.187 18.880 46.455 1.00 10.98 N

ATOM 1054 CA SER A 506 -23.494 18.812 45.029 1.00 10.74 C

ATOM 1055 C SER A 506 -23.849 17.384 44.605 1.00 10.19 C

ATOM 1056 O SER A 506 -23.287 16.418 45.129 1.00 9.59 O

ATOM 1057 CB SER A 506 -22.303 19.312 44.208 1.00 11.40 C

ATOM 1058 OG SER A 506 -22.577 19.250 42.815 1.00 10.97 O

ATOM 1059 N PRO A 507 -24.786 17.258 43.666 1.00 9.56 N

ATOM 1060 CA PRO A 507 -25.081 15.971 43.023 1.00 10.21 C

ATOM 1061 C PRO A 507 -24.030 15.581 41.987 1.00 12.14 C

ATOM 1062 O PRO A 507 -24.074 14.459 41.482 1.00 13.12 O

ATOM 1063 CB PRO A 507 -26.420 16.224 42.318 1.00 10.07 C

ATOM 1064 CG PRO A 507 -26.463 17.713 42.078 1.00 8.56 C

ATOM 1065 CD PRO A 507 -25.651 18.346 43.175 1.00 9.61 C

ATOM 1066 N HIS A 508 -23.109 16.491 41.676 1.00 13.17 N

ATOM 1067 CA HIS A 508 -22.096 16.244 40.656 1.00 13.34 C

ATOM 1068 C HIS A 508 -20.731 16.025 41.278 1.00 12.73 C

ATOM 1069 O HIS A 508 -20.135 16.947 41.827 1.00 14.09 O

ATOM 1070 CB HIS A 508 -22.033 17.412 39.673 1.00 15.77 C

ATOM 1071 CG HIS A 508 -23.366 17.805 39.127 1.00 17.43 C

ATOM 1072 ND1 HIS A 508 -24.182 16.920 38.456 1.00 18.72 N

ATOM 1073 CD2 HIS A 508 -24.035 18.980 39.171 1.00 17.93 C

ATOM 1074 CE1 HIS A 508 -25.296 17.538 38.101 1.00 18.70 C

ATOM 1075 NE2 HIS A 508 -25.231 18.789 38.523 1.00 18.46 N

ATOM 1076 N TYR A 509 -20.242 14.795 41.181 1.00 11.25 N

ATOM 1077 CA TYR A 509 -18.957 14.419 41.745 1.00 10.83 C

ATOM 1078 C TYR A 509 -18.545 13.071 41.172 1.00 11.84 C

ATOM 1079 O TYR A 509 -19.356 12.374 40.554 1.00 11.14 O

ATOM 1080 CB TYR A 509 -19.050 14.315 43.270 1.00 9.75 C

ATOM 1081 CG TYR A 509 -20.180 13.431 43.747 1.00 9.76 C

ATOM 1082 CD1 TYR A 509 -20.000 12.061 43.913 1.00 10.44 C

ATOM 1083 CD2 TYR A 509 -21.432 13.962 44.025 1.00 9.42 C

ATOM 1084 CE1 TYR A 509 -21.042 11.247 44.335 1.00 9.09 C

ATOM 1085 CE2 TYR A 509 -22.472 13.157 44.453 1.00 10.68 C

ATOM 1086 CZ TYR A 509 -22.271 11.803 44.607 1.00 10.69 C

ATOM 1087 OH TYR A 509 -23.309 11.008 45.036 1.00 12.45 O

ATOM 1088 N THR A 510 -17.284 12.711 41.389 1.00 11.77 N

ATOM 1089 CA THR A 510 -16.795 11.387 41.051 1.00 12.43 C

ATOM 1090 C THR A 510 -17.001 10.447 42.228 1.00 12.87 C

ATOM 1091 O THR A 510 -16.519 10.701 43.337 1.00 13.44 O

ATOM 1092 CB THR A 510 -15.318 11.445 40.654 1.00 12.53 C

ATOM 1093 OG1 THR A 510 -15.192 12.224 39.458 1.00 13.52 O

ATOM 1094 CG2 THR A 510 -14.819 10.067 40.226 1.00 11.73 C

ATOM 1095 N GLN A 511 -17.734 9.369 41.971 1.00 13.45 N

ATOM 1096 CA GLN A 511 -18.093 8.401 42.993 1.00 13.17 C

ATOM 1097 C GLN A 511 -17.052 7.296 43.107 1.00 12.12 C

ATOM 1098 O GLN A 511 -16.644 6.711 42.107 1.00 10.91 O

ATOM 1099 CB GLN A 511 -19.464 7.792 42.678 1.00 14.24 C

ATOM 1100 CG GLN A 511 -19.926 6.746 43.678 1.00 16.95 C

ATOM 1101 CD GLN A 511 -20.473 7.362 44.942 1.00 18.05 C

ATOM 1102 OE1 GLN A 511 -21.461 8.091 44.900 1.00 19.91 O

ATOM 1103 NE2 GLN A 511 -19.832 7.082 46.066 1.00 19.03 N

ATOM 1104 N ALA A 512 -16.626 7.024 44.336 1.00 10.77 N

ATOM 1105 CA ALA A 512 -15.794 5.864 44.632 1.00 10.69 C

ATOM 1106 C ALA A 512 -16.404 5.121 45.816 1.00 11.63 C

ATOM 1107 O ALA A 512 -17.191 5.683 46.577 1.00 11.88 O

ATOM 1108 CB ALA A 512 -14.365 6.288 44.946 1.00 8.44 C

ATOM 1109 N TRP A 513 -16.043 3.854 45.966 1.00 12.44 N

ATOM 1110 CA TRP A 513 -16.551 3.046 47.063 1.00 12.77 C

ATOM 1111 C TRP A 513 -15.394 2.314 47.717 1.00 12.34 C

ATOM 1112 O TRP A 513 -14.486 1.852 47.032 1.00 11.10 O

ATOM 1113 CB TRP A 513 -17.596 2.050 46.556 1.00 14.92 C

ATOM 1114 CG TRP A 513 -18.857 2.704 46.086 1.00 16.67 C

ATOM 1115 CD1 TRP A 513 -19.228 2.940 44.790 1.00 17.23 C

ATOM 1116 CD2 TRP A 513 -19.915 3.216 46.904 1.00 18.25 C

ATOM 1117 NE1 TRP A 513 -20.454 3.563 44.755 1.00 18.71 N

ATOM 1118 CE2 TRP A 513 -20.896 3.749 46.040 1.00 18.76 C

ATOM 1119 CE3 TRP A 513 -20.134 3.285 48.291 1.00 19.68 C

ATOM 1120 CZ2 TRP A 513 -22.075 4.336 46.512 1.00 18.90 C

ATOM 1121 CZ3 TRP A 513 -21.309 3.866 48.757 1.00 19.77 C

ATOM 1122 CH2 TRP A 513 -22.262 4.385 47.868 1.00 19.21 C

ATOM 1123 N SER A 514 -15.414 2.224 49.041 1.00 12.92 N

ATOM 1124 CA SER A 514 -14.356 1.524 49.746 1.00 13.15 C

ATOM 1125 C SER A 514 -14.489 0.029 49.526 1.00 13.88 C

ATOM 1126 O SER A 514 -15.596 -0.511 49.495 1.00 12.09 O

ATOM 1127 CB SER A 514 -14.365 1.857 51.239 1.00 13.73 C

ATOM 1128 OG SER A 514 -15.294 1.061 51.942 1.00 16.01 O

ATOM 1129 N GLU A 515 -13.347 -0.624 49.354 1.00 14.45 N

ATOM 1130 CA GLU A 515 -13.278 -2.075 49.284 1.00 15.36 C

ATOM 1131 C GLU A 515 -12.749 -2.614 50.606 1.00 13.46 C

ATOM 1132 O GLU A 515 -13.130 -3.699 51.036 1.00 13.93 O

ATOM 1133 CB GLU A 515 -12.370 -2.501 48.134 1.00 17.10 C

ATOM 1134 CG GLU A 515 -12.032 -3.981 48.102 1.00 20.47 C

ATOM 1135 CD GLU A 515 -11.029 -4.304 47.011 1.00 21.74 C

ATOM 1136 OE1 GLU A 515 -10.251 -5.264 47.173 1.00 22.93 O

ATOM 1137 OE2 GLU A 515 -11.012 -3.589 45.990 1.00 23.31 O

ATOM 1138 N ALA A 516 -11.869 -1.847 51.244 1.00 11.90 N

ATOM 1139 CA ALA A 516 -11.321 -2.216 52.545 1.00 10.50 C

ATOM 1140 C ALA A 516 -10.844 -0.983 53.300 1.00 9.98 C

ATOM 1141 O ALA A 516 -10.386 -0.010 52.702 1.00 10.10 O

ATOM 1142 CB ALA A 516 -10.183 -3.209 52.391 1.00 9.42 C

ATOM 1143 N VAL A 517 -10.956 -1.034 54.621 1.00 9.19 N

ATOM 1144 CA VAL A 517 -10.508 0.049 55.473 1.00 8.64 C

ATOM 1145 C VAL A 517 -9.501 -0.505 56.461 1.00 8.78 C

ATOM 1146 O VAL A 517 -9.795 -1.437 57.204 1.00 8.98 O

ATOM 1147 CB VAL A 517 -11.682 0.681 56.248 1.00 9.93 C

ATOM 1148 CG1 VAL A 517 -11.186 1.788 57.157 1.00 10.31 C

ATOM 1149 CG2 VAL A 517 -12.729 1.223 55.289 1.00 10.67 C

ATOM 1150 N PHE A 518 -8.308 0.070 56.472 1.00 8.26 N

ATOM 1151 CA PHE A 518 -7.281 -0.337 57.417 1.00 6.70 C

ATOM 1152 C PHE A 518 -7.082 0.729 58.474 1.00 7.05 C

ATOM 1153 O PHE A 518 -6.647 1.834 58.172 1.00 7.78 O

ATOM 1154 CB PHE A 518 -5.966 -0.585 56.682 1.00 8.68 C

ATOM 1155 CG PHE A 518 -6.068 -1.620 55.609 1.00 8.81 C

ATOM 1156 CD1 PHE A 518 -6.536 -1.282 54.348 1.00 7.03 C

ATOM 1157 CD2 PHE A 518 -5.718 -2.939 55.867 1.00 8.67 C

ATOM 1158 CE1 PHE A 518 -6.640 -2.235 53.353 1.00 7.82 C

ATOM 1159 CE2 PHE A 518 -5.820 -3.900 54.878 1.00 10.03 C

ATOM 1160 CZ PHE A 518 -6.281 -3.546 53.615 1.00 8.86 C

ATOM 1161 N ILE A 519 -7.407 0.392 59.716 1.00 9.32 N

ATOM 1162 CA ILE A 519 -7.217 1.300 60.840 1.00 9.62 C

ATOM 1163 C ILE A 519 -5.906 0.929 61.509 1.00 8.01 C

ATOM 1164 O ILE A 519 -5.662 -0.244 61.746 1.00 8.79 O

ATOM 1165 CB ILE A 519 -8.395 1.154 61.830 1.00 10.78 C

ATOM 1166 CG1 ILE A 519 -9.662 1.778 61.235 1.00 12.62 C

ATOM 1167 CG2 ILE A 519 -8.060 1.771 63.188 1.00 6.57 C

ATOM 1168 CD1 ILE A 519 -10.911 1.486 62.043 1.00 15.51 C

ATOM 1169 N HIS A 520 -5.053 1.910 61.801 1.00 7.14 N

ATOM 1170 CA HIS A 520 -3.782 1.602 62.449 1.00 6.14 C

ATOM 1171 C HIS A 520 -4.045 0.786 63.711 1.00 6.74 C

ATOM 1172 O HIS A 520 -4.944 1.106 64.496 1.00 3.35 O

ATOM 1173 CB HIS A 520 -2.986 2.866 62.794 1.00 6.36 C

ATOM 1174 CG HIS A 520 -1.557 2.587 63.162 1.00 6.51 C

ATOM 1175 ND1 HIS A 520 -1.188 2.098 64.399 1.00 7.20 N

ATOM 1176 CD2 HIS A 520 -0.413 2.692 62.443 1.00 5.62 C

ATOM 1177 CE1 HIS A 520 0.122 1.928 64.432 1.00 6.40 C

ATOM 1178 NE2 HIS A 520 0.616 2.281 63.257 1.00 7.63 N

ATOM 1179 N GLU A 521 -3.268 -0.272 63.907 1.00 6.12 N

ATOM 1180 CA GLU A 521 -3.563 -1.177 65.005 1.00 9.69 C

ATOM 1181 C GLU A 521 -3.132 -0.646 66.374 1.00 9.02 C

ATOM 1182 O GLU A 521 -3.431 -1.251 67.393 1.00 10.97 O

ATOM 1183 CB GLU A 521 -3.062 -2.612 64.742 1.00 10.81 C

ATOM 1184 CG GLU A 521 -1.820 -2.754 63.884 1.00 14.66 C

ATOM 1185 CD GLU A 521 -2.023 -2.353 62.425 1.00 15.19 C

ATOM 1186 OE1 GLU A 521 -2.887 -2.936 61.724 1.00 15.42 O

ATOM 1187 OE2 GLU A 521 -1.289 -1.455 61.971 1.00 14.64 O

ATOM 1188 N GLY A 522 -2.476 0.512 66.392 1.00 9.45 N

ATOM 1189 CA GLY A 522 -2.167 1.197 67.640 1.00 8.32 C

ATOM 1190 C GLY A 522 -3.192 2.254 68.041 1.00 8.57 C

ATOM 1191 O GLY A 522 -3.074 2.879 69.099 1.00 8.98 O

ATOM 1192 N TYR A 523 -4.188 2.474 67.187 1.00 7.72 N

ATOM 1193 CA TYR A 523 -5.271 3.417 67.479 1.00 7.21 C

ATOM 1194 C TYR A 523 -6.297 2.804 68.439 1.00 7.67 C

ATOM 1195 O TYR A 523 -6.692 1.649 68.271 1.00 6.77 O

ATOM 1196 CB TYR A 523 -5.963 3.852 66.181 1.00 5.20 C

ATOM 1197 CG TYR A 523 -7.129 4.800 66.385 1.00 4.27 C

ATOM 1198 CD1 TYR A 523 -6.918 6.146 66.681 1.00 3.07 C

ATOM 1199 CD2 TYR A 523 -8.443 4.350 66.273 1.00 3.36 O

ATOM 1200 CE1 TYR A 523 -7.988 7.007 66.872 1.00 2.40 C

ATOM 1201 CE2 TYR A 523 -9.509 5.204 66.459 1.00 2.92 C

ATOM 1202 CZ TYR A 523 -9.277 6.530 66.755 1.00 2.08 C

ATOM 1203 OH TYR A 523 -10.341 7.380 66.941 1.00 4.62 O

ATOM 1204 N THR A 524 -6.708 3.569 69.449 1.00 6.96 N

ATOM 1205 CA THR A 524 -7.759 3.132 70.367 1.00 9.31 C

ATOM 1206 C THR A 524 -8.886 4.162 70.390 1.00 10.49 C

ATOM 1207 O THR A 524 -8.769 5.208 71.037 1.00 10.13 O

ATOM 1208 CB THR A 524 -7.219 2.913 71.808 1.00 10.35 C

ATOM 1209 OG1 THR A 524 -6.597 4.116 72.274 1.00 13.71 O

ATOM 1210 CG2 THR A 524 -6.084 1.904 71.835 1.00 8.06 C

ATOM 1211 N HIS A 525 -9.976 3.856 69.687 1.00 9.06 N

ATOM 1212 CA HIS A 525 -11.106 4.772 69.552 1.00 8.33 C

ATOM 1213 C HIS A 525 -11.628 5.315 70.880 1.00 8.41 C

ATOM 1214 O HIS A 525 -11.880 4.553 71.812 1.00 6.69 O

ATOM 1215 CB HIS A 525 -12.249 4.114 68.777 1.00 7.55 C

ATOM 1216 CG HIS A 525 -13.159 5.099 68.111 1.00 7.91 C

ATOM 1217 ND1 HIS A 525 -12.696 6.073 67.251 1.00 9.19 N

ATOM 1218 CD2 HIS A 525 -14.498 5.282 68.199 1.00 6.32 C

ATOM 1219 CE1 HIS A 525 -13.712 6.806 66.828 1.00 7.27 C

ATOM 1220 NE2 HIS A 525 -14.817 6.343 67.385 1.00 6.78 N

ATOM 1221 N ASP A 526 -11.784 6.638 70.947 1.00 7.96 N

ATOM 1222 CA ASP A 526 -12.331 7.321 72.121 1.00 8.48 C

ATOM 1223 C ASP A 526 -11.377 7.314 73.303 1.00 7.93 C

ATOM 1224 O ASP A 526 -11.776 7.622 74.428 1.00 9.18 O

ATOM 1225 CB ASP A 526 -13.668 6.706 72.554 1.00 7.41 C

ATOM 1226 CG ASP A 526 -14.804 7.021 71.593 1.00 8.19 C

ATOM 1227 OD1 ASP A 526 -14.640 7.863 70.694 1.00 6.89 O

ATOM 1228 OD2 ASP A 526 -15.913 6.457 71.668 1.00 11.15 O

ATOM 1229 N ALA A 527 -10.125 6.945 73.060 1.00 8.12 N

ATOM 1230 CA ALA A 527 -9.107 6.954 74.113 1.00 7.00 C

ATOM 1231 C ALA A 527 -7.823 7.612 73.613 1.00 6.76 C

ATOM 1232 O ALA A 527 -6.788 6.968 73.493 1.00 8.02 0

ATOM 1233 CB ALA A 527 -8.838 5.526 74.626 1.00 4.13 C

ATOM 1234 N GLY A 528 -7.901 8.906 73.319 1.00 8.11 N

ATOM 1235 CA GLY A 528 -6.774 9.634 72.765 1.00 6.02 C

ATOM 1236 C GLY A 528 -6.695 9.424 71.264 1.00 7.32 C

ATOM 1237 O GLY A 528 -7.428 8.597 70.698 1.00 5.49 O

ATOM 1238 N PHE A 529 -5.796 10.161 70.617 1.00 6.36 N

ATOM 1239 CA PHE A 529 -5.696 10.135 69.159 1.00 5.49 C

ATOM 1240 C PHE A 529 -4.329 9.687 68.678 1.00 6.06 C

ATOM 1241 O PHE A 529 -3.950 9.954 67.542 1.00 7.13 O

ATOM 1242 CB PHE A 529 -6.039 11.509 68.561 1.00 5.65 C

ATOM 1243 CG PHE A 529 -7.488 11.901 68.724 1.00 4.49 C

ATOM 1244 CD1 PHE A 529 -7.935 12.486 69.900 1.00 4.93 C

ATOM 1245 CD2 PHE A 529 -8.401 11.677 67.704 1.00 4.79 C

ATOM 1246 CE1 PHE A 529 -9.267 12.847 70.057 1.00 4.99 C

ATOM 1247 CE2 PHE A 529 -9.739 12.026 67.854 1.00 4.88 C

ATOM 1248 CZ PHE A 529 -10.172 12.619 69.033 1.00 5.06 C

ATOM 1249 N ASP A 530 -3.578 9.019 69.547 1.00 7.43 N

ATOM 1250 CA ASP A 530 -2.303 8.437 69.143 1.00 5.33 C

ATOM 1251 C ASP A 530 -2.581 7.430 68.030 1.00 5.85 C

ATOM 1252 O ASP A 530 -3.533 6.658 68.114 1.00 3.45 O

ATOM 1253 CB ASP A 530 -1.619 7.757 70.335 1.00 3.56 C

ATOM 1254 CG ASP A 530 -0.124 7.532 70.106 1.00 6.25 C

ATOM 1255 OD1 ASP A 530 0.505 8.313 69.356 1.00 6.00 O

ATOM 1256 OD2 ASP A 530 0.510 6.588 70.625 1.00 8.19 O

ATOM 1257 N ASN A 531 -1.766 7.461 66.979 1.00 7.05 N

ATOM 1258 CA ASN A 531 -1.931 6.552 65.850 1.00 6.70 C

ATOM 1259 C ASN A 531 -3.228 6.779 65.082 1.00 6.57 C

ATOM 1260 O ASN A 531 -3.799 5.844 64.513 1.00 7.59 O

ATOM 1261 CB ASN A 531 -1.823 5.093 66.311 1.00 6.41 C

ATOM 1262 CG ASN A 531 -0.524 4.810 67.026 1.00 6.30 C

ATOM 1263 OD1 ASN A 531 0.553 5.131 66.526 1.00 7.81 O

ATOM 1264 ND2 ASN A 531 -0.615 4.215 68.210 1.00 5.67 N

ATOM 1265 N ASP A 532 -3.671 8.029 65.028 1.00 6.20 N

ATOM 1266 CA ASP A 532 -4.921 8.366 64.353 1.00 5.44 C

ATOM 1267 C ASP A 532 -4.731 8.422 62.836 1.00 6.13 C

ATOM 1268 O ASP A 532 -4.602 9.502 62.243 1.00 5.67 O

ATOM 1269 CB ASP A 532 -5.475 9.694 64.888 1.00 4.98 C

ATOM 1270 CG ASP A 532 -6.869 10.004 64.368 1.00 8.45 C

ATOM 1271 OD1 ASP A 532 -7.518 9.097 63.783 1.00 8.03 O

ATOM 1272 OD2 ASP A 532 -7.400 11.132 64.510 1.00 8.80 O

ATOM 1273 N ILE A 533 -4.723 7.251 62.211 1.00 6.86 N

ATOM 1274 CA ILE A 533 -4.477 7.161 60.777 1.00 6.83 C

ATOM 1275 C ILE A 533 -5.125 5.907 60.214 1.00 8.46 C

ATOM 1276 O ILE A 533 -5.203 4.872 60.890 1.00 9.43 O

ATOM 1277 CB ILE A 533 -2.953 7.200 60.465 1.00 6.07 C

ATOM 1278 CG1 ILE A 533 -2.704 7.206 58.955 1.00 4.95 C

ATOM 1279 CG2 ILE A 533 -2.222 6.045 61.132 1.00 6.23 C

ATOM 1280 CD1 ILE A 533 -1.241 7.255 58.572 1.00 4.43 C

ATOM 1281 N ALA A 534 -5.611 6.014 58.983 1.00 7.26 N

ATOM 1282 CA ALA A 534 -6.289 4.904 58.330 1.00 8.01 C

ATOM 1283 C ALA A 534 -6.107 4.968 56.820 1.00 7.82 C

ATOM 1284 O ALA A 534 -5.877 6.040 56.263 1.00 7.42 O

ATOM 1285 CB ALA A 534 -7.776 4.909 58.685 1.00 6.63 C

ATOM 1286 N LEU A 535 -6.216 3.815 56.167 1.00 7.69 N

ATOM 1287 CA LEU A 535 -6.153 3.749 54.709 1.00 7.06 C

ATOM 1288 C LEU A 535 -7.405 3.089 54.161 1.00 6.95 C

ATOM 1289 O LEU A 535 -7.842 2.057 54.653 1.00 6.92 O

ATOM 1290 CB LEU A 535 -4.911 2.983 54.236 1.00 6.30 C

ATOM 1291 CG LEU A 535 -3.610 3.792 54.196 1.00 7.22 C

ATOM 1292 CD1 LEU A 535 -2.414 2.879 54.078 1.00 6.04 C

ATOM 1293 CD2 LEU A 535 -3.614 4.812 53.069 1.00 5.95 C

ATOM 1294 N ILE A 536 -7.980 3.703 53.139 1.00 7.87 N

ATOM 1295 CA ILE A 536 -9.100 3.124 52.436 1.00 9.01 C

ATOM 1296 C ILE A 536 -8.651 2.688 51.056 1.00 9.41 C

ATOM 1297 O ILE A 536 -8.107 3.483 50.295 1.00 9.65 O

ATOM 1298 CB ILE A 536 -10.230 4.146 52.300 1.00 8.87 C

ATOM 1299 CG1 ILE A 536 -10.647 4.672 53.672 1.00 8.55 C

ATOM 1300 CG2 ILE A 536 -11.420 3.527 51.579 1.00 9.73 C

ATOM 1301 CD1 ILE A 536 -11.281 6.050 53.616 1.00 8.32 C

ATOM 1302 N LYS A 537 -8.868 1.419 50.736 1.00 9.62 N

ATOM 1303 CA LYS A 537 -8.645 0.959 49.380 1.00 11.14 C

ATOM 1304 C LYS A 537 -9.948 1.103 48.610 1.00 10.91 C

ATOM 1305 O LYS A 537 -11.000 0.663 49.072 1.00 11.72 O

ATOM 1306 CB LYS A 537 -8.167 -0.492 49.357 1.00 13.04 C

ATOM 1307 CG LYS A 537 -8.178 -1.100 47.967 1.00 15.08 C

ATOM 1308 CD LYS A 537 -6.967 -1.960 47.723 1.00 18.30 C

ATOM 1309 CE LYS A 537 -6.773 -2.208 46.241 1.00 20.41 C

ATOM 1310 NZ LYS A 537 -6.862 -3.659 45.920 1.00 21.86 N

ATOM 1311 N LEU A 538 -9.885 1.749 47.453 1.00 9.89 N

ATOM 1312 CA LEU A 538 -11.067 1.902 46.613 1.00 11.23 C

ATOM 1313 C LEU A 538 -11.259 0.645 45.759 1.00 13.11 C

ATOM 1314 O LEU A 538 -10.289 -0.011 45.392 1.00 13.86 O

ATOM 1315 CB LEU A 538 -10.944 3.154 45.739 1.00 8.41 C

ATOM 1316 CG LEU A 538 -10.615 4.443 46.511 1.00 8.65 C

ATOM 1317 CD1 LEU A 538 -10.542 5.647 45.583 1.00 6.30 C

ATOM 1318 CD2 LEU A 538 -11.624 4.696 47.634 1.00 6.53 C

ATOM 1319 N ASN A 539 -12.506 0.296 45.456 1.00 14.43 N

ATOM 1320 CA ASN A 539 -12.767 -0.928 44.701 1.00 17.73 C

ATOM 1321 C ASN A 539 -12.443 -0.805 43.212 1.00 18.17 C

ATOM 1322 O ASN A 539 -12.395 -1.809 42.498 1.00 18.70 O

ATOM 1323 CB ASN A 539 -14.203 -1.427 44.921 1.00 19.44 C

ATOM 1324 CG ASN A 539 -15.246 -0.445 44.439 1.00 21.71 C

ATOM 1325 OD1 ASN A 539 -14.931 0.680 44.043 1.00 23.07 O

ATOM 1326 ND2 ASN A 539 -16.506 -0.867 44.466 1.00 23.15 N

ATOM 1327 N ASN A 540 -12.223 0.426 42.756 1.00 18.47 N

ATOM 1328 CA ASN A 540 -11.807 0.691 41.378 1.00 19.85 C

ATOM 1329 C ASN A 540 -10.843 1.868 41.295 1.00 19.49 C

ATOM 1330 O ASN A 540 -10.854 2.746 42.150 1.00 20.03 O

ATOM 1331 CB ASN A 540 -13.018 0.963 40.486 1.00 20.89 C

ATOM 1332 CG ASN A 540 -13.719 -0.308 40.051 1.00 22.82 C

ATOM 1333 OD1 ASN A 540 -14.843 -0.582 40.474 1.00 22.91 O

ATOM 1334 ND2 ASN A 540 -13.054 -1.097 39.209 1.00 22.28 N

ATOM 1335 N LYS A 541 -10.004 1.874 40.266 1.00 20.33 N

ATOM 1336 CA LYS A 541 -9.129 3.010 40.011 1.00 21.38 C

ATOM 1337 C LYS A 541 -9.957 4.247 39.676 1.00 20.60 C

ATOM 1338 O LYS A 541 -10.915 4.178 38.907 1.00 19.35 O

ATOM 1339 CB LYS A 541 -8.161 2.700 38.865 1.00 23.03 C

ATOM 1340 CG LYS A 541 -6.964 1.845 39.280 1.00 27.07 C

ATOM 1341 CD LYS A 541 -6.068 1.497 38.093 1.00 29.09 C

ATOM 1342 CE LYS A 541 -4.617 1.253 38.530 1.00 30.79 C

ATOM 1343 NZ LYS A 541 -3.654 2.203 37.874 1.00 30.52 N

ATOM 1344 N VAL A 542 -9.595 5.374 40.276 1.00 20.01 N

ATOM 1345 CA VAL A 542 -10.184 6.655 39.917 1.00 20.98 C

ATOM 1346 C VAL A 542 -9.568 7.103 38.602 1.00 20.09 C

ATOM 1347 O VAL A 542 -8.378 6.891 38.375 1.00 18.96 O

ATOM 1348 CB VAL A 542 -9.876 7.733 40.976 1.00 21.07 C

ATOM 1349 CG1 VAL A 542 -10.521 9.045 40.592 1.00 22.76 C

ATOM 1350 CG2 VAL A 542 -10.347 7.294 42.344 1.00 21.44 C

ATOM 1351 N VAL A 543 -10.367 7.711 37.733 1.00 21.57 N

ATOM 1352 CA VAL A 543 -9.826 8.335 36.530 1.00 22.32 C

ATOM 1353 C VAL A 543 -9.143 9.653 36.918 1.00 22.22 C

ATOM 1354 O VAL A 543 -9.793 10.578 37.400 1.00 22.96 O

ATOM 1355 CB VAL A 543 -10.917 8.560 35.453 1.00 24.15 C

ATOM 1356 CG1 VAL A 543 -10.289 8.853 34.086 1.00 23.60 C

ATOM 1357 CG2 VAL A 543 -11.843 7.347 35.361 1.00 24.99 C

ATOM 1358 N ILE A 544 -7.828 9.709 36.720 1.00 22.45 N

ATOM 1359 CA ILE A 544 -6.989 10.843 37.111 1.00 23.00 C

ATOM 1360 C ILE A 544 -7.021 11.979 36.081 1.00 25.40 C

ATOM 1361 O ILE A 544 -6.702 11.770 34.914 1.00 26.46 O

ATOM 1362 CB ILE A 544 -5.524 10.358 37.316 1.00 20.45 C

ATOM 1363 CG1 ILE A 544 -5.436 9.390 38.496 1.00 19.24 C

ATOM 1364 CG2 ILE A 544 -4.577 11.526 37.539 1.00 20.50 C

ATOM 1365 CD1 ILE A 544 -6.094 9.907 39.756 1.00 16.91 C

ATOM 1366 N ASN A 545 -7.413 13.174 36.519 1.00 26.68 N

ATOM 1367 CA ASN A 545 -7.387 14.364 35.662 1.00 26.95 C

ATOM 1368 C ASN A 545 -6.981 15.623 36.425 1.00 26.16 C

ATOM 1369 O ASN A 545 -6.591 15.553 37.593 1.00 25.85 O

ATOM 1370 CB ASN A 545 -8.730 14.577 34.955 1.00 27.31 C

ATOM 1371 CG ASN A 545 -9.889 14.713 35.923 1.00 28.45 C

ATOM 1372 OD1 ASN A 545 -9.825 15.474 36.894 1.00 28.99 O

ATOM 1373 ND2 ASN A 545 -10.966 13.978 35.660 1.00 28.40 N

ATOM 1374 N SER A 546 -7.072 16.771 35.761 1.00 25.69 N

ATOM 1375 CA SER A 546 -6.670 18.037 36.368 1.00 25.55 C

ATOM 1376 C SER A 546 -7.395 18.312 37.681 1.00 23.91 C

ATOM 1377 O SER A 546 -6.853 18.977 38.565 1.00 24.77 O

ATOM 1378 CB SER A 546 -6.892 19.193 35.398 1.00 26.62 C

ATOM 1379 OG SER A 546 -5.821 19.278 34.479 1.00 29.50 O

ATOM 1380 N ASN A 547 -8.615 17.796 37.810 1.00 21.83 N

ATOM 1381 CA ASN A 547 -9.400 18.003 39.025 1.00 20.84 C

ATOM 1382 C ASN A 547 -9.247 16.887 40.046 1.00 17.59 C

ATOM 1383 O ASN A 547 -9.673 17.033 41.195 1.00 19.64 O

ATOM 1384 CB ASN A 547 -10.880 18.201 38.695 1.00 23.89 C

ATOM 1385 CG ASN A 547 -11.199 19.627 38.309 1.00 27.24 C

ATOM 1386 OD1 ASN A 547 -10.757 20.574 38.966 1.00 28.13 O

ATOM 1387 ND2 ASN A 547 -11.956 19.794 37.224 1.00 28.47 N

ATOM 1388 N ILE A 548 -8.666 15.766 39.626 1.00 13.11 N

ATOM 1389 CA ILE A 548 -8.439 14.647 40.539 1.00 14.12 C

ATOM 1390 C ILE A 548 -7.040 14.056 40.382 1.00 13.92 C

ATOM 1391 O ILE A 548 -6.786 13.287 39.456 1.00 15.83 O

ATOM 1392 CB ILE A 548 -9.500 13.534 40.338 1.00 13.20 C

ATOM 1393 CG1 ILE A 548 -10.919 14.092 40.467 1.00 12.55 C

ATOM 1394 CG2 ILE A 548 -9.277 12.400 41.343 1.00 11.80 C

ATOM 1395 CD1 ILE A 548 -11.998 13.083 40.163 1.00 12.71 C

ATOM 1396 N THR A 549 -6.135 14.432 41.280 1.00 13.53 N

ATOM 1397 CA THR A 549 -4.784 13.867 41.317 1.00 12.52 C

ATOM 1398 C THR A 549 -4.358 13.664 42.775 1.00 10.51 C

ATOM 1399 O THR A 549 -4.740 14.439 43.650 1.00 7.10 O

ATOM 1400 CB THR A 549 -3.766 14.775 40.578 1.00 13.35 C

ATOM 1401 OG1 THR A 549 -4.133 16.145 40.742 1.00 16.05 O

ATOM 1402 CG2 THR A 549 -3.855 14.587 39.074 1.00 15.82 C

ATOM 1403 N PRO A 550 -3.559 12.631 43.029 1.00 8.29 N

ATOM 1404 CA PRO A 550 -3.158 12.283 44.394 1.00 7.72 C

ATOM 1405 C PRO A 550 -2.170 13.281 44.985 1.00 7.96 C

ATOM 1406 O PRO A 550 -1.485 13.991 44.235 1.00 5.42 O

ATOM 1407 CB PRO A 550 -2.463 10.932 44.218 1.00 7.47 C

ATOM 1408 CG PRO A 550 -1.955 10.952 42.825 1.00 8.01 C

ATOM 1409 CD PRO A 550 -2.960 11.729 42.024 1.00 8.07 C

ATOM 1410 N ILE A 551 -2.123 13.332 46.317 1.00 6.61 N

ATOM 1411 CA ILE A 551 -1.087 14.052 47.040 1.00 6.59 C

ATOM 1412 C ILE A 551 0.155 13.154 47.091 1.00 7.08 C

ATOM 1413 O ILE A 551 0.042 11.921 47.012 1.00 7.11 O

ATOM 1414 CB ILE A 551 -1.580 14.422 48.474 1.00 5.49 C

ATOM 1415 CG1 ILE A 551 -0.542 15.280 49.218 1.00 5.55 C

ATOM 1416 CG2 ILE A 551 -1.933 13.174 49.277 1.00 3.86 C

ATOM 1417 CD1 ILE A 551 -0.375 16.685 48.652 1.00 4.41 C

ATOM 1418 N CYS A 552 1.334 13.762 47.203 1.00 6.52 N

ATOM 1419 CA CYS A 552 2.571 12.993 47.345 1.00 7.52 C

ATOM 1420 C CYS A 552 2.778 12.578 48.798 1.00 8.16 C

ATOM 1421 O CYS A 552 2.488 13.343 49.714 1.00 8.17 O

ATOM 1422 CB CYS A 552 3.787 13.813 46.904 1.00 7.35 C

ATOM 1423 SG CYS A 552 3.875 14.224 45.156 1.00 9.92 S

ATOM 1424 N LEU A 553 3.286 11.366 49.001 1.00 8.87 N

ATOM 1425 CA LEU A 553 3.747 10.948 50.317 1.00 9.98 C

ATOM 1426 C LEU A 553 5.081 11.644 50.590 1.00 10.60 C

ATOM 1427 O LEU A 553 5.866 11.866 49.668 1.00 10.57 O

ATOM 1428 CB LEU A 553 3.910 9.429 50.367 1.00 8.81 C

ATOM 1429 CG LEU A 553 2.600 8.641 50.427 1.00 8.28 C

ATOM 1430 CD1 LEU A 553 2.853 7.162 50.201 1.00 8.79 C

ATOM 1431 CD2 LEU A 553 1.886 8.864 51.757 1.00 6.90 C

ATOM 1432 N PRO A 554 5.327 12.013 51.844 1.00 11.08 N

ATOM 1433 CA PRO A 554 6.578 12.688 52.209 1.00 12.29 C

ATOM 1434 C PRO A 554 7.814 11.808 52.001 1.00 14.35 C

ATOM 1435 O PRO A 554 7.838 10.658 52.437 1.00 15.22 O

ATOM 1436 CB PRO A 554 6.387 12.998 53.698 1.00 10.52 C

ATOM 1437 CG PRO A 554 5.371 12.009 54.163 1.00 10.83 C

ATOM 1438 CD PRO A 554 4.431 11.828 53.002 1.00 9.92 C

ATOM 1439 N ARG A 555 8.836 12.348 51.342 1.00 18.10 N

ATOM 1440 CA ARG A 555 10.097 11.623 51.194 1.00 20.38 C

ATOM 1441 C ARG A 555 10.932 11.768 52.460 1.00 21.18 C

ATOM 1442 O ARG A 555 10.551 12.503 53.379 1.00 19.54 O

ATOM 1443 CB ARG A 555 10.877 12.047 49.931 1.00 21.52 C

ATOM 1444 CG ARG A 555 11.188 13.553 49.754 1.00 22.34 C

ATOM 1445 CD ARG A 555 12.053 13.864 48.495 1.00 23.02 C

ATOM 1446 NE ARG A 555 12.112 15.290 48.142 1.00 23.15 N

ATOM 1447 CZ ARG A 555 13.239 15.984 47.909 1.00 21.76 C

ATOM 1448 NH1 ARG A 555 14.433 15.400 47.986 1.00 18.92 N

ATOM 1449 NH2 ARG A 555 13.170 17.276 47.596 1.00 19.08 N

ATOM 1450 N LYS A 556 12.058 11.060 52.508 1.00 23.42 N

ATOM 1451 CA LYS A 556 12.911 11.026 53.694 1.00 25.14 C

ATOM 1452 C LYS A 556 13.133 12.407 54.288 1.00 25.45 C

ATOM 1453 O LYS A 556 12.936 12.618 55.487 1.00 27.23 O

ATOM 1454 CB LYS A 556 14.264 10.386 53.368 1.00 26.14 C

ATOM 1455 N GLU A 557 13.527 13.348 53.438 1.00 25.49 N

ATOM 1456 CA GLU A 557 13.961 14.663 53.891 1.00 24.95 C

ATOM 1457 C GLU A 557 12.848 15.700 53.925 1.00 23.58 C

ATOM 1458 O GLU A 557 13.119 16.891 54.066 1.00 24.78 O

ATOM 1459 CB GLU A 557 15.102 15.166 53.005 1.00 27.47 C

ATOM 1460 CG GLU A 557 15.761 14.074 52.176 1.00 29.23 C

ATOM 1461 CD GLU A 557 15.289 14.059 50.732 1.00 29.55 C

ATOM 1462 OE1 GLU A 557 16.022 14.569 49.859 1.00 28.32 O

ATOM 1463 OE2 GLU A 557 14.189 13.532 50.471 1.00 29.61 O

ATOM 1464 N ALA A 558 11.599 15.257 53.803 1.00 20.90 N

ATOM 1465 CA ALA A 558 10.463 16.181 53.833 1.00 17.58 C

ATOM 1466 C ALA A 558 10.360 16.959 55.158 1.00 15.18 C

ATOM 1467 O ALA A 558 9.698 17.999 55.229 1.00 12.96 O

ATOM 1468 CB ALA A 558 9.169 15.443 53.542 1.00 18.15 C

ATOM 1469 N GLU A 559 11.021 16.456 56.199 1.00 13.96 N

ATOM 1470 CA GLU A 559 11.067 17.154 57.478 1.00 13.60 C

ATOM 1471 C GLU A 559 11.711 18.542 57.354 1.00 10.65 C

ATOM 1472 O GLU A 559 11.405 19.435 58.135 1.00 11.47 O

ATOM 1473 CB GLU A 559 11.786 16.313 58.539 1.00 18.86 C

ATOM 1474 CG GLU A 559 11.026 15.058 58.958 1.00 25.52 C

ATOM 1475 CD GLU A 559 10.337 15.187 60.312 1.00 28.15 C

ATOM 1476 OE1 GLU A 559 9.448 16.064 60.447 1.00 29.04 O

ATOM 1477 OE2 GLU A 559 10.677 14.404 61.239 1.00 28.70 O

ATOM 1478 N SER A 560 12.590 18.723 56.371 1.00 6.01 N

ATOM 1479 CA SER A 560 13.220 20.022 56.136 1.00 5.39 C

ATOM 1480 C SER A 560 12.211 21.104 55.738 1.00 6.24 C

ATOM 1481 O SER A 560 12.513 22.297 55.810 1.00 5.85 O

ATOM 1482 CB SER A 560 14.295 19.918 55.049 1.00 5.27 C

ATOM 1483 OG SER A 560 15.397 19.135 55.474 1.00 6.25 O

ATOM 1484 N PHE A 561 11.029 20.686 55.290 1.00 5.32 N

ATOM 1485 CA PHE A 561 9.967 21.623 54.940 1.00 5.89 C

ATOM 1486 C PHE A 561 8.903 21.642 56.025 1.00 7.14 C

ATOM 1487 O PHE A 561 7.862 22.272 55.865 1.00 7.54 O

ATOM 1488 CB PHE A 561 9.315 21.244 53.600 1.00 7.49 C

ATOM 1489 CG PHE A 561 10.260 21.280 52.428 1.00 6.90 C

ATOM 1490 CD1 PHE A 561 10.621 20.106 51.774 1.00 7.14 C

ATOM 1491 CD2 PHE A 561 10.782 22.483 51.977 1.00 6.24 C

ATOM 1492 CE1 PHE A 561 11.495 20.133 50.694 1.00 6.81 C

ATOM 1493 CE2 PHE A 561 11.661 22.520 50.897 1.00 7.00 C

ATOM 1494 CZ PHE A 561 12.015 21.343 50.253 1.00 6.54 C

ATOM 1495 N MET A 562 9.155 20.938 57.124 1.00 8.33 N

ATOM 1496 CA MET A 562 8.177 20.841 58.201 1.00 8.23 C

ATOM 1497 C MET A 562 8.776 21.232 59.548 1.00 9.89 C

ATOM 1498 O MET A 562 8.534 20.581 60.560 1.00 10.40 O

ATOM 1499 CB MET A 562 7.589 19.428 58.270 1.00 7.22 C

ATOM 1500 CG MET A 562 6.798 19.021 57.029 1.00 7.05 C

ATOM 1501 SD MET A 562 5.815 17.525 57.258 1.00 8.42 S

ATOM 1502 CE MET A 562 7.088 16.221 57.086 1.00 5.95 C

ATOM 1503 N ARG A 563 9.562 22.299 59.566 1.00 9.81 N

ATOM 1504 CA ARG A 563 10.139 22.752 60.821 1.00 10.56 C

ATOM 1505 C ARG A 563 9.217 23.785 61.446 1.00 8.55 C

ATOM 1506 O ARG A 563 8.335 24.335 60.779 1.00 7.11 O

ATOM 1507 CB ARG A 563 11.544 23.336 60.615 1.00 12.55 C

ATOM 1508 CG ARG A 563 12.463 22.479 59.756 1.00 15.77 C

ATOM 1509 CD ARG A 563 13.506 21.688 60.538 1.00 20.08 C

ATOM 1510 NE ARG A 563 14.577 21.192 59.669 1.00 22.59 N

ATOM 1511 CZ ARG A 563 14.976 19.925 59.609 1.00 22.82 C

ATOM 1512 NH1 ARG A 563 14.403 19.003 60.374 1.00 23.56 N

ATOM 1513 NH2 ARG A 563 15.950 19.577 58.781 1.00 22.44 N

ATOM 1514 N THR A 564 9.425 24.040 62.729 1.00 7.42 N

ATOM 1515 CA THR A 564 8.696 25.087 63.422 1.00 9.06 C

ATOM 1516 C THR A 564 8.650 26.363 62.578 1.00 7.90 C

ATOM 1517 O THR A 564 9.675 26.813 62.074 1.00 8.26 O

ATOM 1518 CB THR A 564 9.343 25.343 64.794 1.00 8.24 C

ATOM 1519 OG1 THR A 564 9.315 24.124 65.546 1.00 8.39 O

ATOM 1520 CG2 THR A 564 8.490 26.290 65.630 1.00 7.33 C

ATOM 1521 N ASP A 565 7.450 26.913 62.411 1.00 7.83 N

ATOM 1522 CA ASP A 565 7.218 28.137 61.635 1.00 8.74 C

ATOM 1523 C ASP A 565 7.098 27.909 60.127 1.00 9.64 C

ATOM 1524 O ASP A 565 6.809 28.845 59.374 1.00 9.52 O

ATOM 1525 CB ASP A 565 8.283 29.193 61.936 1.00 10.89 C

ATOM 1526 CG ASP A 565 8.154 29.760 63.336 1.00 13.77 C

ATOM 1527 OD1 ASP A 565 7.075 29.599 63.941 1.00 15.01 O

ATOM 1528 OD2 ASP A 565 9.071 30.374 63.917 1.00 16.98 O

ATOM 1529 N ASP A 566 7.336 26.676 59.679 1.00 8.54 N

ATOM 1530 CA ASP A 566 7.082 26.343 58.285 1.00 7.14 C

ATOM 1531 C ASP A 566 5.576 26.298 58.070 1.00 6.88 C

ATOM 1532 O ASP A 566 4.818 25.959 58.985 1.00 5.89 O

ATOM 1533 CB ASP A 566 7.725 25.010 57.906 1.00 8.15 C

ATOM 1534 CG ASP A 566 9.222 25.133 57.689 1.00 8.85 C

ATOM 1535 OD1 ASP A 566 9.692 26.268 57.460 1.00 9.20 O

ATOM 1536 OD2 ASP A 566 10.004 24.162 57.739 1.00 8.97 O

ATOM 1537 N ILE A 567 5.151 26.648 56.863 1.00 7.47 N

ATOM 1538 CA ILE A 567 3.741 26.842 56.573 1.00 7.74 C

ATOM 1539 C ILE A 567 3.127 25.610 55.920 1.00 9.23 C

ATOM 1540 O ILE A 567 3.638 25.101 54.929 1.00 10.87 O

ATOM 1541 CB ILE A 567 3.541 28.061 55.646 1.00 7.31 C

ATOM 1542 CG1 ILE A 567 4.236 29.316 56.196 1.00 8.06 C

ATOM 1543 CG2 ILE A 567 2.064 28.298 55.410 1.00 6.51 C

ATOM 1544 CD1 ILE A 567 4.076 29.539 57.677 1.00 9.19 C

ATOM 1545 N GLY A 568 2.017 25.141 56.472 1.00 8.34 N

ATOM 1546 CA GLY A 568 1.266 24.069 55.852 1.00 8.00 C

ATOM 1547 C GLY A 568 -0.128 24.550 55.522 1.00 8.05 C

ATOM 1548 O GLY A 568 -0.531 25.629 55.946 1.00 9.84 0

ATOM 1549 N THR A 569 -0.866 23.753 54.761 1.00 6.00 N

ATOM 1550 CA THR A 569 -2.217 24.129 54.373 1.00 6.02 C

ATOM 1551 C THR A 569 -3.238 23.077 54.747 1.00 6.21 C

ATOM 1552 O THR A 569 -3.119 21.912 54.367 1.00 6.42 O

ATOM 1553 CB THR A 569 -2.291 24.397 52.861 1.00 4.52 C

ATOM 1554 OG1 THR A 569 -1.326 25.392 52.509 1.00 4.51 O

ATOM 1555 CG2 THR A 569 -3.628 25.063 52.519 1.00 4.90 C

ATOM 1556 N ALA A 570 -4.248 23.499 55.493 1.00 5.66 N

ATOM 1557 CA ALA A 570 -5.364 22.629 55.814 1.00 5.17 C

ATOM 1558 C ALA A 570 -6.534 23.013 54.919 1.00 7.16 C

ATOM 1559 O ALA A 570 -6.805 24.204 54.715 1.00 6.23 O

ATOM 1560 CB ALA A 570 -5.745 22.780 57.273 1.00 7.21 C

ATOM 1561 N SER A 571 -7.222 22.010 54.380 1.00 5.98 N

ATOM 1562 CA SER A 571 -8.394 22.260 53.549 1.00 6.76 C

ATOM 1563 C SER A 571 -9.555 21.386 53.991 1.00 4.92 C

ATOM 1564 O SER A 571 -9.355 20.272 54.466 1.00 8.44 O

ATOM 1565 CB SER A 571 -8.071 21.993 52.077 1.00 7.12 C

ATOM 1566 OG SER A 571 -7.542 20.685 51.914 1.00 9.13 O

ATOM 1567 N GLY A 572 -10.773 21.880 53.840 1.00 3.25 N

ATOM 1568 CA GLY A 572 -11.915 21.068 54.190 1.00 2.16 C

ATOM 1569 C GLY A 572 -13.228 21.806 54.189 1.00 4.24 C

ATOM 1570 O GLY A 572 -13.284 22.999 53.873 1.00 4.87 O

ATOM 1571 N TRP A 573 -14.284 21.079 54.548 1.00 3.76 N

ATOM 1572 CA TRP A 573 -15.632 21.612 54.563 1.00 4.77 C

ATOM 1573 C TRP A 573 -16.122 21.759 56.005 1.00 4.15 C

ATOM 1574 O TRP A 573 -17.315 21.934 56.244 1.00 5.38 O

ATOM 1575 CB TRP A 573 -16.588 20.689 53.797 1.00 4.46 C

ATOM 1576 CG TRP A 573 -16.382 20.607 52.302 1.00 4.16 C

ATOM 1577 CD1 TRP A 573 -16.880 21.458 51.352 1.00 4.34 C

ATOM 1578 CD2 TRP A 573 -15.671 19.588 51.584 1.00 5.58 C

ATOM 1579 NE1 TRP A 573 -16.505 21.043 50.095 1.00 4.05 N

ATOM 1580 CE2 TRP A 573 -15.761 19.898 50.207 1.00 4.61 C

ATOM 1581 CE3 TRP A 573 -14.954 18.447 51.964 1.00 4.75 C

ATOM 1582 CZ2 TRP A 573 -15.165 19.114 49.222 1.00 5.96 C

ATOM 1583 CZ3 TRP A 573 -14.360 17.669 50.975 1.00 4.28 C

ATOM 1584 CH2 TRP A 573 -14.468 18.010 49.623 1.00 4.03 C

ATOM 1585 N GLY A 574 -15.199 21.685 56.957 1.00 3.97 N

ATOM 1586 CA GLY A 574 -15.531 21.781 58.371 1.00 5.21 C

ATOM 1587 C GLY A 574 -15.981 23.167 58.820 1.00 6.70 C

ATOM 1588 O GLY A 574 -16.124 24.094 58.004 1.00 7.06 O

ATOM 1589 N LEU A 575 -16.202 23.314 60.123 1.00 6.36 N

ATOM 1590 CA LEU A 575 -16.742 24.554 60.682 1.00 6.78 C

ATOM 1591 C LEU A 575 -15.860 25.758 60.368 1.00 8.04 C

ATOM 1592 O LEU A 575 -14.624 25.671 60.426 1.00 4.95 O

ATOM 1593 CB LEU A 575 -16.906 24.454 62.203 1.00 6.14 C

ATOM 1594 CG LEU A 575 -17.737 23.348 62.857 1.00 7.61 C

ATOM 1595 CD1 LEU A 575 -17.797 23.583 64.364 1.00 5.28 C

ATOM 1596 CD2 LEU A 575 -19.142 23.283 62.269 1.00 6.83 C

ATOM 1597 N THR A 576 -16.507 26.875 60.037 1.00 8.52 N

ATOM 1598 CA THR A 576 -15.827 28.151 59.863 1.00 11.62 C

ATOM 1599 C THR A 576 -16.050 28.979 61.116 1.00 13.53 C

ATOM 1600 O THR A 576 -16.601 28.475 62.093 1.00 14.45 O

ATOM 1601 CB THR A 576 -16.378 28.900 58.635 1.00 11.53 C

ATOM 1602 OG1 THR A 576 -17.740 29.288 58.876 1.00 10.89 O

ATOM 1603 CG2 THR A 576 -16.476 27.959 57.442 1.00 10.78 C

ATOM 1604 N GLN A 577 -15.649 30.248 61.089 1.00 15.20 N

ATOM 1605 CA GLN A 577 -15.855 31.118 62.247 1.00 16.61 C

ATOM 1606 C GLN A 577 -17.335 31.365 62.541 1.00 15.23 C

ATOM 1607 O GLN A 577 -17.683 31.820 63.626 1.00 15.71 O

ATOM 1608 CB GLN A 577 -15.128 32.455 62.087 1.00 18.52 C

ATOM 1609 CG GLN A 577 -14.986 33.208 63.410 1.00 22.91 C

ATOM 1610 CD GLN A 577 -14.804 34.701 63.237 1.00 25.01 C

ATOM 1611 OE1 GLN A 577 -14.262 35.153 62.227 1.00 27.97 O

ATOM 1612 NE2 GLN A 577 -15.257 35.473 64.219 1.00 24.61 N

ATOM 1613 N ARG A 578 -18.201 31.069 61.575 1.00 12.36 N

ATOM 1614 CA ARG A 578 -19.646 31.215 61.770 1.00 12.22 C

ATOM 1615 C ARG A 578 -20.210 30.117 62.667 1.00 12.28 C

ATOM 1616 O ARG A 578 -21.317 30.246 63.195 1.00 12.25 O

ATOM 1617 CB ARG A 578 -20.389 31.174 60.431 1.00 10.20 C

ATOM 1618 CG ARG A 578 -20.098 32.320 59.477 1.00 9.47 C

ATOM 1619 CD ARG A 578 -20.850 32.188 58.173 1.00 11.45 C

ATOM 1620 NE ARG A 578 -22.265 31.904 58.408 1.00 13.49 N

ATOM 1621 CZ ARG A 578 -22.940 30.918 57.836 1.00 14.93 C

ATOM 1622 NH1 ARG A 578 -22.342 30.104 56.975 1.00 15.40 N

ATOM 1623 NH2 ARG A 578 -24.223 30.745 58.122 1.00 17.09 N

ATOM 1624 N GLY A 579 -19.463 29.024 62.804 1.00 10.88 N

ATOM 1625 CA GLY A 579 -19.888 27.913 63.632 1.00 10.53 C

ATOM 1626 C GLY A 579 -20.696 26.884 62.865 1.00 10.71 C

ATOM 1627 O GLY A 579 -21.352 26.034 63.462 1.00 9.08 O

ATOM 1628 N PHE A 580 -20.652 26.967 61.537 1.00 10.82 N

ATOM 1629 CA PHE A 580 -21.342 26.012 60.682 1.00 10.14 C

ATOM 1630 C PHE A 580 -20.370 25.424 59.676 1.00 9.59 C

ATOM 1631 O PHE A 580 -19.345 26.032 59.370 1.00 8.67 O

ATOM 1632 CB PHE A 580 -22.517 26.678 59.963 1.00 11.92 C

ATOM 1633 CG PHE A 580 -23.530 27.280 60.896 1.00 14.62 C

ATOM 1634 CD1 PHE A 580 -23.524 28.639 61.168 1.00 15.62 C

ATOM 1635 CD2 PHE A 580 -24.479 26.482 61.517 1.00 14.53 C

ATOM 1636 CE1 PHE A 580 -24.460 29.193 62.040 1.00 16.08 C

ATOM 1637 CE2 PHE A 580 -25.408 27.025 62.385 1.00 14.99 C

ATOM 1638 CZ PHE A 580 -25.402 28.379 62.649 1.00 15.19 C

ATOM 1639 N LEU A 581 -20.691 24.232 59.179 1.00 8.81 N

ATOM 1640 CA LEU A 581 -19.925 23.614 58.107 1.00 9.60 C

ATOM 1641 C LEU A 581 -19.924 24.546 56.904 1.00 9.22 C

ATOM 1642 O LEU A 581 -20.801 25.401 56.776 1.00 11.04 O

ATOM 1643 CB LEU A 581 -20.526 22.253 57.724 1.00 9.99 C

ATOM 1644 CG LEU A 581 -20.537 21.141 58.785 1.00 10.17 C

ATOM 1645 CD1 LEU A 581 -21.464 20.016 58.375 1.00 10.06 C

ATOM 1646 CD2 LEU A 581 -19.147 20.594 59.051 1.00 9.79 C

ATOM 1647 N ALA A 582 -18.929 24.405 56.036 1.00 9.07 N

ATOM 1648 CA ALA A 582 -18.903 25.178 54.797 1.00 9.44 C

ATOM 1649 C ALA A 582 -19.547 24.380 53.669 1.00 8.51 C

ATOM 1650 O ALA A 582 -19.519 23.153 53.678 1.00 8.11 O

ATOM 1651 CB ALA A 582 -17.474 25.568 54.432 1.00 8.02 C

ATOM 1652 N ARG A 583 -20.142 25.077 52.708 1.00 9.34 N

ATOM 1653 CA ARG A 583 -20.743 24.408 51.561 1.00 9.51 C

ATOM 1654 C ARG A 583 -19.674 24.149 50.515 1.00 8.69 C

ATOM 1655 O ARG A 583 -19.716 23.141 49.805 1.00 8.12 O

ATOM 1656 CB ARG A 583 -21.851 25.265 50.951 1.00 11.83 C

ATOM 1657 CG ARG A 583 -22.972 25.606 51.904 1.00 15.01 C

ATOM 1658 CD ARG A 583 -24.013 24.519 52.046 1.00 17.25 C

ATOM 1659 NE ARG A 583 -25.356 25.011 51.747 1.00 20.43 N

ATOM 1660 CZ ARG A 583 -26.389 24.895 52.567 1.00 21.12 C

ATOM 1661 NH1 ARG A 583 -26.238 24.308 53.745 1.00 24.42 N

ATOM 1662 NH2 ARG A 583 -27.572 25.368 52.218 1.00 21.65 N

ATOM 1663 N ASN A 584 -18.734 25.086 50.418 1.00 6.73 N

ATOM 1664 CA ASN A 584 -17.634 25.006 49.468 1.00 5.84 C

ATOM 1665 C ASN A 584 -16.332 24.718 50.209 1.00 5.76 C

ATOM 1666 O ASN A 584 -16.176 25.101 51.375 1.00 5.76 O

ATOM 1667 CB ASN A 584 -17.489 26.317 48.700 1.00 5.83 C

ATOM 1668 CG ASN A 584 -18.693 26.631 47.834 1.00 7.47 C

ATOM 1669 OD1 ASN A 584 -18.702 26.328 46.641 1.00 9.68 O

ATOM 1670 ND2 ASN A 584 -19.704 27.265 48.422 1.00 4.93 N

ATOM 1671 N LEU A 585 -15.415 24.039 49.527 1.00 3.80 N

ATOM 1672 CA LEU A 585 -14.113 23.706 50.088 1.00 6.24 C

ATOM 1673 C LEU A 585 -13.349 24.974 50.463 1.00 4.45 C

ATOM 1674 O LEU A 585 -13.226 25.891 49.650 1.00 4.00 O

ATOM 1675 CB LEU A 585 -13.293 22.882 49.085 1.00 5.30 C

ATOM 1676 CG LEU A 585 -11.979 22.306 49.624 1.00 6.74 C

ATOM 1677 CD1 LEU A 585 -12.252 21.303 50.732 1.00 5.09 C

ATOM 1678 CD2 LEU A 585 -11.162 21.660 48.502 1.00 7.52 C

ATOM 1679 N MET A 586 -12.846 25.010 51.694 1.00 5.65 N

ATOM 1680 CA MET A 586 -12.033 26.132 52.185 1.00 6.78 C

ATOM 1681 C MET A 586 -10.621 25.666 52.497 1.00 5.80 C

ATOM 1682 O MET A 586 -10.370 24.465 52.613 1.00 5.87 O

ATOM 1683 CB MET A 586 -12.634 26.712 53.466 1.00 8.11 C

ATOM 1684 CG MET A 586 -14.082 27.094 53.351 1.00 10.20 C

ATOM 1685 SD MET A 586 -14.225 28.562 52.343 1.00 11.87 S

ATOM 1686 CE MET A 586 -15.687 29.261 52.969 1.00 12.70 C

ATOM 1687 N TYR A 587 -9.708 26.618 52.659 1.00 6.02 N

ATOM 1688 CA TYR A 587 -8.352 26.305 53.100 1.00 7.70 C

ATOM 1689 C TYR A 587 -7.714 27.438 53.916 1.00 8.86 C

ATOM 1690 O TYR A 587 -8.124 28.595 53.803 1.00 8.37 O

ATOM 1691 CB TYR A 587 -7.471 25.951 51.900 1.00 7.93 C

ATOM 1692 CG TYR A 587 -7.101 27.119 51.017 1.00 8.19 C

ATOM 1693 CD1 TYR A 587 -5.882 27.774 51.173 1.00 8.97 C

ATOM 1694 CD2 TYR A 587 -7.959 27.555 50.013 1.00 8.71 C

ATOM 1695 CE1 TYR A 587 -5.532 28.840 50.356 1.00 8.55 C

ATOM 1696 CE2 TYR A 587 -7.620 28.618 49.188 1.00 9.21 C

ATOM 1697 CZ TYR A 587 -6.408 29.255 49.368 1.00 9.60 C

ATOM 1698 OH TYR A 587 -6.068 30.304 48.557 1.00 11.73 O

ATOM 1699 N VAL A 588 -6.737 27.085 54.756 1.00 8.20 N

ATOM 1700 CA VAL A 588 -5.895 28.069 55.441 1.00 8.54 C

ATOM 1701 C VAL A 588 -4.435 27.640 55.475 1.00 7.17 C

ATOM 1702 O VAL A 588 -4.127 26.448 55.560 1.00 7.52 O

ATOM 1703 CB VAL A 588 -6.304 28.303 56.915 1.00 9.75 C

ATOM 1704 CG1 VAL A 588 -7.460 29.249 57.007 1.00 9.49 C

ATOM 1705 CG2 VAL A 588 -6.587 26.986 57.630 1.00 7.73 C

ATOM 1706 N ASP A 589 -3.542 28.623 55.418 1.00 7.00 N

ATOM 1707 CA ASP A 589 -2.122 28.397 55.648 1.00 7.17 C

ATOM 1708 C ASP A 589 -1.834 28.633 57.122 1.00 6.82 C

ATOM 1709 O ASP A 589 -2.208 29.671 57.664 1.00 5.47 O

ATOM 1710 CB ASP A 589 -1.289 29.368 54.821 1.00 6.99 C

ATOM 1711 CG ASP A 589 -1.355 29.078 53.342 1.00 8.61 C

ATOM 1712 OD1 ASP A 589 -1.911 28.030 52.957 1.00 9.79 O

ATOM 1713 OD2 ASP A 589 -0.878 29.848 52.485 1.00 11.04 O

ATOM 1714 N ILE A 590 -1.182 27.673 57.772 1.00 6.41 N

ATOM 1715 CA ILE A 590 -0.880 27.794 59.197 1.00 5.90 C

ATOM 1716 C ILE A 590 0.534 27.306 59.503 1.00 5.68 C

ATOM 1717 O ILE A 590 1.023 26.354 58.886 1.00 6.24 O

ATOM 1718 CB ILE A 590 -1.903 27.010 60.056 1.00 5.94 C

ATOM 1719 CG1 ILE A 590 -2.029 25.566 59.569 1.00 5.22 C

ATOM 1720 CG2 ILE A 590 -3.260 27.695 60.057 1.00 6.85 C

ATOM 1721 CD1 ILE A 590 -3.139 24.810 60.239 1.00 4.76 C

ATOM 1722 N PRO A 591 1.186 27.946 60.468 1.00 4.67 N

ATOM 1723 CA PRO A 591 2.562 27.596 60.820 1.00 3.59 C

ATOM 1724 C PRO A 591 2.597 26.384 61.734 1.00 4.95 C

ATOM 1725 O PRO A 591 1.694 26.211 62.561 1.00 4.40 O

ATOM 1726 CB PRO A 591 3.047 28.826 61.585 1.00 2.85 C

ATOM 1727 CG PRO A 591 1.822 29.421 62.182 1.00 3.66 C

ATOM 1728 CD PRO A 591 0.654 29.034 61.308 1.00 3.70 C

ATOM 1729 N ILE A 592 3.625 25.555 61.572 1.00 5.41 N

ATOM 1730 CA ILE A 592 3.915 24.480 62.511 1.00 5.56 C

ATOM 1731 C ILE A 592 4.315 25.087 63.852 1.00 5.42 C

ATOM 1732 O ILE A 592 5.121 26.020 63.913 1.00 4.30 O

ATOM 1733 CB ILE A 592 5.052 23.592 61.979 1.00 6.41 C

ATOM 1734 CG1 ILE A 592 4.583 22.797 60.766 1.00 7.18 C

ATOM 1735 CG2 ILE A 592 5.587 22.659 63.080 1.00 6.48 C

ATOM 1736 CD1 ILE A 592 5.589 21.807 60.284 1.00 7.90 C

ATOM 1737 N VAL A 593 3.753 24.538 64.921 1.00 5.67 N

ATOM 1738 CA VAL A 593 3.997 25.031 66.267 1.00 6.13 C

ATOM 1739 C VAL A 593 4.990 24.139 67.002 1.00 6.08 C

ATOM 1740 O VAL A 593 4.944 22.912 66.882 1.00 4.05 O

ATOM 1741 CB VAL A 593 2.667 25.109 67.053 1.00 7.71 C

ATOM 1742 CG1 VAL A 593 2.909 25.446 68.520 1.00 6.63 C

ATOM 1743 CG2 VAL A 593 1.740 26.132 66.403 1.00 7.69 C

ATOM 1744 N ASP A 594 5.888 24.766 67.761 1.00 6.51 N

ATOM 1745 CA ASP A 594 6.832 24.042 68.608 1.00 8.50 C

ATOM 1746 C ASP A 594 6.127 22.971 69.441 1.00 8.21 C

ATOM 1747 O ASP A 594 5.085 23.226 70.058 1.00 7.46 O

ATOM 1748 CB ASP A 594 7.573 25.014 69.523 1.00 10.38 C

ATOM 1749 CG ASP A 594 8.475 24.307 70.503 1.00 13.49 C

ATOM 1750 OD1 ASP A 594 9.599 23.933 70.103 1.00 15.44 O

ATOM 1751 OD2 ASP A 594 8.147 24.078 71.689 1.00 14.24 O

ATOM 1752 N HIS A 595 6.705 21.773 69.460 1.00 7.91 N

ATOM 1753 CA HIS A 595 6.053 20.612 70.063 1.00 6.50 C

ATOM 1754 C HIS A 595 5.868 20.725 71.577 1.00 6.05 C

ATOM 1755 O HIS A 595 4.833 20.321 72.104 1.00 5.53 O

ATOM 1756 CB HIS A 595 6.813 19.333 69.712 1.00 7.50 C

ATOM 1757 CG HIS A 595 6.058 18.076 70.019 1.00 8.03 C

ATOM 1758 ND1 HIS A 595 5.398 17.344 69.075 1.00 7.93 N

ATOM 1759 CD2 HIS A 595 5.862 17.415 71.170 1.00 6.98 C

ATOM 1760 CE1 HIS A 595 4.823 16.293 69.623 1.00 6.68 C

ATOM 1761 NE2 HIS A 595 5.094 16.311 70.900 1.00 7.47 N

ATOM 1762 N GLN A 596 6.862 21.266 72.275 1.00 5.38 N

ATOM 1763 CA GLN A 596 6.743 21.468 73.719 1.00 5.49 C

ATOM 1764 C GLN A 596 5.666 22.497 74.037 1.00 5.98 C

ATOM 1765 O GLN A 596 4.877 22.326 74.966 1.00 7.36 O

ATOM 1766 CB GLN A 596 8.077 21.896 74.344 1.00 3.68 C

ATOM 1767 CG GLN A 596 7.989 21.990 75.860 1.00 4.40 C

ATOM 1768 CD GLN A 596 9.259 22.469 76.525 1.00 3.78 C

ATOM 1769 OE1 GLN A 596 10.250 22.769 75.861 1.00 3.14 O

ATOM 1770 NE2 GLN A 596 9.233 22.535 77.851 1.00 4.14 N

ATOM 1771 N LYS A 597 5.642 23.569 73.256 1.00 7.64 N

ATOM 1772 CA LYS A 597 4.634 24.612 73.395 1.00 9.15 C

ATOM 1773 C LYS A 597 3.237 24.025 73.186 1.00 8.44 C

ATOM 1774 O LYS A 597 2.288 24.370 73.886 1.00 6.87 O

ATOM 1775 CB LYS A 597 4.900 25.707 72.363 1.00 12.35 C

ATOM 1776 CG LYS A 597 4.164 27.007 72.587 1.00 15.68 C

ATOM 1777 CD LYS A 597 4.635 28.030 71.570 1.00 18.98 C

ATOM 1778 CE LYS A 597 3.809 29.300 71.629 1.00 23.00 C

ATOM 1779 NZ LYS A 597 3.936 30.000 72.948 1.00 25.20 N

ATOM 1780 N CYS A 598 3.116 23.132 72.212 1.00 7.58 N

ATOM 1781 CA CYS A 598 1.831 22.511 71.929 1.00 7.30 C

ATOM 1782 C CYS A 598 1.445 21.498 72.997 1.00 6.45 C

ATOM 1783 O CYS A 598 0.279 21.385 73.368 1.00 5.03 O

ATOM 1784 CB CYS A 598 1.859 21.825 70.577 1.00 6.67 C

ATOM 1785 SG CYS A 598 0.314 20.983 70.201 1.00 8.80 S

ATOM 1786 N THR A 599 2.433 20.747 73.463 1.00 6.39 N

ATOM 1787 CA THR A 599 2.242 19.806 74.554 1.00 7.05 C

ATOM 1788 C THR A 599 1.686 20.515 75.791 1.00 6.95 C

ATOM 1789 O THR A 599 0.676 20.093 76.357 1.00 7.05 O

ATOM 1790 CB THR A 599 3.578 19.107 74.868 1.00 8.07 C

ATOM 1791 OG1 THR A 599 3.815 18.087 73.883 1.00 7.31 O

ATOM 1792 CG2 THR A 599 3.502 18.344 76.177 1.00 9.31 C

ATOM 1793 N ALA A 600 2.334 21.607 76.189 1.00 5.82 N

ATOM 1794 CA ALA A 600 1.925 22.347 77.385 1.00 5.80 C

ATOM 1795 C ALA A 600 0.503 22.903 77.273 1.00 5.26 C

ATOM 1796 O ALA A 600 -0.202 23.033 78.275 1.00 4.44 O

ATOM 1797 CB ALA A 600 2.909 23.467 77.678 1.00 4.47 C

ATOM 1798 N ALA A 601 0.089 23.229 76.050 1.00 4.40 N

ATOM 1799 CA ALA A 601 -1.223 23.819 75.818 1.00 3.01 C

ATOM 1800 C ALA A 601 -2.342 22.817 76.115 1.00 4.25 C

ATOM 1801 O ALA A 601 -3.485 23.203 76.353 1.00 3.91 O

ATOM 1802 CB ALA A 601 -1.326 24.333 74.379 1.00 4.07 C

ATOM 1803 N TYR A 602 -2.012 21.527 76.103 1.00 4.43 N

ATOM 1804 CA TYR A 602 -3.019 20.498 76.345 1.00 4.89 C

ATOM 1805 C TYR A 602 -2.800 19.769 77.662 1.00 7.40 C

ATOM 1806 O TYR A 602 -3.463 18.769 77.954 1.00 5.41 O

ATOM 1807 CB TYR A 602 -3.083 19.534 75.164 1.00 2.77 C

ATOM 1808 CG TYR A 602 -3.744 20.189 73.982 1.00 4.06 C

ATOM 1809 CD1 TYR A 602 -3.001 20.635 72.893 1.00 2.24 C

ATOM 1810 CD2 TYR A 602 -5.115 20.413 73.979 1.00 2.91 C

ATOM 1811 CE1 TYR A 602 -3.625 21.263 71.813 1.00 3.77 C

ATOM 1812 CE2 TYR A 602 -5.738 21.035 72.920 1.00 2.83 C

ATOM 1813 CZ TYR A 602 -4.995 21.456 71.840 1.00 2.95 C

ATOM 1814 OH TYR A 602 -5.643 22.073 70.794 1.00 3.60 O

ATOM 1815 N GLU A 603 -1.872 20.295 78.452 1.00 10.03 N

ATOM 1816 CA GLU A 603 -1.575 19.764 79.770 1.00 15.91 C

ATOM 1817 C GLU A 603 -2.492 20.398 80.801 1.00 17.47 C

ATOM 1818 O GLU A 603 -2.044 21.134 81.682 1.00 20.69 O

ATOM 1819 CB GLU A 603 -0.117 20.038 80.132 1.00 18.92 C

ATOM 1820 CG GLU A 603 0.882 19.195 79.361 1.00 23.11 C

ATOM 1821 CD AGLU A 603 2.278 19.273 79.962 0.50 24.68 C

ATOM 1822 CD BGLU A 603 1.843 18.447 80.262 0.50 25.37 C

ATOM 1823 OE1AGLU A 603 2.397 19.690 81.149 0.50 25.85 O

ATOM 1824 OE1BGLU A 603 1.906 18.779 81.469 0.50 26.71 O

ATOM 1825 OE2AGLU A 603 3.247 18.853 79.279 0.50 26.00 O

ATOM 1826 OE2BGLU A 603 2.549 17.534 79.761 0.50 26.47 O

ATOM 1827 N LYS A 604 -3.783 20.110 80.681 1.00 17.98 N

ATOM 1828 CA LYS A 604 -4.790 20.660 81.576 1.00 17.52 C

ATOM 1829 C LYS A 604 -6.102 19.921 81.344 1.00 17.16 C

ATOM 1830 O LYS A 604 -6.312 19.358 80.271 1.00 15.53 O

ATOM 1831 CB LYS A 604 -4.974 22.156 81.309 1.00 18.75 C

ATOM 1832 CG LYS A 604 -5.185 22.494 79.845 1.00 20.24 C

ATOM 1833 CD LYS A 604 -5.400 23.977 79.653 1.00 21.88 C

ATOM 1834 CE LYS A 604 -6.323 24.236 78.485 1.00 23.49 C

ATOM 1835 NZ LYS A 604 -6.768 25.659 78.453 1.00 26.02 N

ATOM 1836 N PRO A 605 -6.978 19.907 82.345 1.00 17.47 N

ATOM 1837 CA PRO A 605 -8.332 19.370 82.168 1.00 17.59 C

ATOM 1838 C PRO A 605 -9.017 20.080 81.003 1.00 16.35 C

ATOM 1839 O PRO A 605 -8.808 21.283 80.843 1.00 16.91 O

ATOM 1840 CB PRO A 605 -9.024 19.717 83.491 1.00 18.49 C

ATOM 1841 CG PRO A 605 -8.130 20.724 84.155 1.00 17.93 C

ATOM 1842 CD PRO A 605 -6.742 20.389 83.718 1.00 17.39 C

ATOM 1843 N PRO A 606 -9.827 19.372 80.217 1.00 15.70 N

ATOM 1844 CA PRO A 606 -10.218 17.987 80.493 1.00 14.67 C

ATOM 1845 C PRO A 606 -9.380 16.938 79.760 1.00 14.08 C

ATOM 1846 O PRO A 606 -9.802 15.777 79.672 1.00 13.45 O

ATOM 1847 CB PRO A 606 -11.645 17.943 79.954 1.00 14.48 C

ATOM 1848 CG PRO A 606 -11.626 18.907 78.771 1.00 16.21 C

ATOM 1849 CD PRO A 606 -10.460 19.878 78.987 1.00 16.13 C

ATOM 1850 N TYR A 607 -8.220 17.339 79.247 1.00 12.92 N

ATOM 1851 CA TYR A 607 -7.352 16.432 78.493 1.00 10.82 C

ATOM 1852 C TYR A 607 -6.572 15.474 79.396 1.00 10.88 C

ATOM 1853 O TYR A 607 -5.990 15.883 80.403 1.00 12.02 O

ATOM 1854 CB TYR A 607 -6.396 17.229 77.606 1.00 8.26 C

ATOM 1855 CG TYR A 607 -7.089 18.342 76.869 1.00 9.86 C

ATOM 1856 CD1 TYR A 607 -6.972 19.666 77.290 1.00 9.20 C

ATOM 1857 CD2 TYR A 607 -7.894 18.070 75.766 1.00 9.60 C

ATOM 1858 CE1 TYR A 607 -7.624 20.692 76.616 1.00 9.54 C

ATOM 1859 CE2 TYR A 607 -8.546 19.089 75.089 1.00 9.58 C

ATOM 1860 CZ TYR A 607 -8.410 20.393 75.521 1.00 9.65 C

ATOM 1861 OH TYR A 607 -9.059 21.397 74.846 1.00 12.35 O

ATOM 1862 N PRO A 608 -6.560 14.197 79.028 1.00 10.55 N

ATOM 1863 CA PRO A 608 -5.789 13.191 79.762 1.00 10.02 C

ATOM 1864 C PRO A 608 -4.290 13.424 79.586 1.00 10.15 C

ATOM 1865 O PRO A 608 -3.878 13.960 78.551 1.00 7.90 O

ATOM 1866 CB PRO A 608 -6.204 11.873 79.099 1.00 10.70 C

ATOM 1867 CG PRO A 608 -6.669 12.254 77.733 1.00 12.49 C

ATOM 1868 CD PRO A 608 -7.260 13.635 77.856 1.00 10.51 C

ATOM 1869 N ARG A 609 -3.501 13.031 80.585 1.00 11.28 N

ATOM 1870 CA ARG A 609 -2.042 13.131 80.530 1.00 13.76 C

ATOM 1871 C ARG A 609 -1.501 12.570 79.222 1.00 12.57 C

ATOM 1872 O ARG A 609 -1.965 11.531 78.740 1.00 11.33 O

ATOM 1873 CB ARG A 609 -1.403 12.345 81.680 1.00 16.85 C

ATOM 1874 CG ARG A 609 -1.761 12.795 83.080 1.00 22.88 C

ATOM 1875 CD ARG A 609 -0.824 12.231 84.164 1.00 27.34 C

ATOM 1876 NE ARG A 609 -1.511 11.308 85.068 1.00 30.35 N

ATOM 1877 CZ ARG A 609 -1.945 11.634 86.281 1.00 33.14 C

ATOM 1878 NH1 ARG A 609 -1.759 12.865 86.748 1.00 33.76 N

ATOM 1879 NH2 ARG A 609 -2.564 10.730 87.034 1.00 34.07 N

ATOM 1880 N GLY A 610 -0.510 13.248 78.655 1.00 10.77 N

ATOM 1881 CA GLY A 610 0.155 12.751 77.467 1.00 9.07 C

ATOM 1882 C GLY A 610 -0.743 12.656 76.246 1.00 9.63 C

ATOM 1883 O GLY A 610 -0.647 11.702 75.475 1.00 11.83 O

ATOM 1884 N SER A 611 -1.608 13.648 76.060 1.00 7.95 N

ATOM 1885 CA SER A 611 -2.494 13.667 74.903 1.00 8.32 C

ATOM 1886 C SER A 611 -1.745 14.005 73.616 1.00 8.85 C

ATOM 1887 O SER A 611 -2.095 13.500 72.547 1.00 8.92 O

ATOM 1888 CB SER A 611 -3.656 14.640 75.111 1.00 9.27 C

ATOM 1889 OG SER A 611 -4.588 14.119 76.043 1.00 12.01 O

ATOM 1890 N VAL A 612 -0.731 14.864 73.711 1.00 7.50 N

ATOM 1891 CA VAL A 612 0.105 15.172 72.546 1.00 6.20 C

ATOM 1892 C VAL A 612 1.329 14.261 72.571 1.00 5.96 C

ATOM 1893 O VAL A 612 2.106 14.303 73.519 1.00 5.40 O

ATOM 1894 CB VAL A 612 0.540 16.664 72.510 1.00 5.72 C

ATOM 1895 CG1 VAL A 612 1.436 16.943 71.311 1.00 4.86 C

ATOM 1896 CG2 VAL A 612 -0.673 17.582 72.484 1.00 3.64 C

ATOM 1897 N THR A 613 1.478 13.425 71.541 1.00 6.28 N

ATOM 1898 CA THR A 613 2.577 12.464 71.468 1.00 6.84 C

ATOM 1899 C THR A 613 3.554 12.755 70.335 1.00 7.64 C

ATOM 1900 O THR A 613 3.327 13.634 69.506 1.00 8.88 O

ATOM 1901 CB THR A 613 2.049 11.027 71.270 1.00 6.35 C

ATOM 1902 OG1 THR A 613 1.470 10.907 69.958 1.00 6.87 O

ATOM 1903 CG2 THR A 613 0.917 10.720 72.226 1.00 5.62 C

ATOM 1904 N ALA A 614 4.628 11.973 70.295 1.00 5.75 N

ATOM 1905 CA ALA A 614 5.637 12.084 69.249 1.00 6.71 C

ATOM 1906 C ALA A 614 5.093 11.703 67.877 1.00 6.57 C

ATOM 1907 O ALA A 614 5.758 11.923 66.864 1.00 9.29 O

ATOM 1908 CB ALA A 614 6.862 11.229 69.595 1.00 3.29 C

ATOM 1909 N ASN A 615 3.892 11.126 67.839 1.00 5.97 N

ATOM 1910 CA ASN A 615 3.245 10.810 66.567 1.00 6.13 C

ATOM 1911 C ASN A 615 2.300 11.901 66.091 1.00 6.21 C

ATOM 1912 O ASN A 615 1.428 11.657 65.261 1.00 8.05 O

ATOM 1913 CB ASN A 615 2.488 9.491 66.654 1.00 6.76 C

ATOM 1914 CG ASN A 615 3.392 8.335 66.955 1.00 6.73 C

ATOM 1915 OD1 ASN A 615 4.412 8.146 66.294 1.00 5.92 O

ATOM 1916 ND2 ASN A 615 3.039 7.N57 67.966 1.00 6.08 N

ATOM 1917 N MET A 616 2.499 13.108 66.604 1.00 5.91 N

ATOM 1918 CA MET A 616 1.660 14.243 66.261 1.00 7.06 C

ATOM 1919 C MET A 616 2.512 15.478 66.010 1.00 5.70 C

ATOM 1920 O MET A 616 3.581 15.620 66.596 1.00 3.19 O

ATOM 1921 CB MET A 616 0.701 14.542 67.415 1.00 7.63 C

ATOM 1922 CG MET A 616 -0.288 13.438 67.697 1.00 7.96 C

ATOM 1923 SD MET A 616 -1.129 13.697 69.249 1.00 8.24 S

ATOM 1924 CE MET A 616 -1.826 12.049 69.489 1.00 8.06 C

ATOM 1925 N LEU A 617 2.038 16.352 65.123 1.00 5.84 N

ATOM 1926 CA LEU A 617 2.572 17.705 65.008 1.00 6.40 C

ATOM 1927 C LEU A 617 1.424 18.680 65.196 1.00 5.42 C

ATOM 1928 O LEU A 617 0.255 18.324 64.983 1.00 3.83 O

ATOM 1929 CB LEU A 617 3.244 17.939 63.653 1.00 10.21 C

ATOM 1930 CG LEU A 617 2.326 17.875 62.436 1.00 12.98 C

ATOM 1931 CD1 LEU A 617 2.535 19.074 61.531 1.00 16.33 C

ATOM 1932 CD2 LEU A 617 2.568 16.597 61.673 1.00 16.17 C

ATOM 1933 N CYS A 618 1.756 19.902 65.597 1.00 4.25 N

ATOM 1934 CA CYS A 618 0.751 20.925 65.818 1.00 5.83 C

ATOM 1935 C CYS A 618 0.931 22.106 64.885 1.00 8.04 C

ATOM 1936 O CYS A 618 2.050 22.416 64.455 1.00 8.01 O

ATOM 1937 CB CYS A 618 0.811 21.406 67.253 1.00 7.38 C

ATOM 1938 SG CYS A 618 0.682 20.063 68.442 1.00 8.15 S

ATOM 1939 N ALA A 619 -0.179 22.772 64.582 1.00 7.47 N

ATOM 1940 CA ALA A 619 -0.149 23.905 63.672 1.00 7.14 C

ATOM 1941 C ALA A 619 -1.291 24.852 63.992 1.00 7.21 C

ATOM 1942 O ALA A 619 -2.403 24.419 64.293 1.00 6.44 O

ATOM 1943 CB ALA A 619 -0.228 23.429 62.234 1.00 5.52 C

ATOM 1944 N GLY A 620 -1.006 26.146 63.937 1.00 8.07 N

ATOM 1945 CA GLY A 620 -1.993 27.157 64.255 1.00 8.41 C

ATOM 1946 C GLY A 620 -1.353 28.434 64.768 1.00 9.54 C

ATOM 1947 O GLY A 620 -0.124 28.555 64.801 1.00 9.68 O

ATOM 1948 N LEU A 621 -2.195 29.379 65.176 1.00 9.53 N

ATOM 1949 CA LEU A 621 -1.741 30.655 65.707 1.00 11.79 C

ATOM 1950 C LEU A 621 -1.958 30.736 67.210 1.00 14.86 C

ATOM 1951 O LEU A 621 -2.808 30.036 67.767 1.00 14.68 O

ATOM 1952 CB LEU A 621 -2.489 31.805 65.030 1.00 9.30 C

ATOM 1953 CG LEU A 621 -2.426 31.850 63.508 1.00 9.20 C

ATOM 1954 CD1 LEU A 621 -3.131 33.091 63.001 1.00 7.29 C

ATOM 1955 CD2 LEU A 621 -0.980 31.820 63.046 1.00 8.59 C

ATOM 1956 N GLU A 622 -1.189 31.603 67.857 1.00 18.04 N

ATOM 1957 CA GLU A 622 -1.390 31.910 69.265 1.00 22.11 C

ATOM 1958 C GLU A 622 -2.758 32.543 69.518 1.00 21.86 C

ATOM 1959 O GLU A 622 -3.321 32.411 70.610 1.00 22.77 O

ATOM 1960 CB GLU A 622 -0.294 32.854 69.750 1.00 24.87 C

ATOM 1961 CG GLU A 622 1.061 32.186 69.884 1.00 29.85 C

ATOM 1962 CD GLU A 622 1.336 31.742 71.305 1.00 33.10 C

ATOM 1963 OE1 GLU A 622 0.500 30.993 71.862 1.00 33.73 O

ATOM 1964 OE2 GLU A 622 2.381 32.151 71.867 1.00 34.34 O

ATOM 1965 N SER A 623 -3.283 33.227 68.503 1.00 20.34 N

ATOM 1966 CA SER A 623 -4.540 33.969 68.618 1.00 19.20 C

ATOM 1967 C SER A 623 -5.762 33.102 68.332 1.00 19.15 C

ATOM 1968 O SER A 623 -6.887 33.464 68.685 1.00 19.62 O

ATOM 1969 CB SER A 623 -4.537 35.152 67.651 1.00 19.97 C

ATOM 1970 OG SER A 623 -4.650 34.701 66.309 1.00 20.96 O

ATOM 1971 N GLY A 624 -5.541 31.969 67.672 1.00 17.46 N

ATOM 1972 CA GLY A 624 -6.625 31.090 67.277 1.00 15.87 C

ATOM 1973 C GLY A 624 -7.271 31.471 65.950 1.00 15.69 C

ATOM 1974 O GLY A 624 -8.208 30.818 65.502 1.00 14.44 O

ATOM 1975 N GLY A 625 -6.766 32.522 65.312 1.00 14.29 N

ATOM 1976 CA GLY A 625 -7.391 33.048 64.108 1.00 14.76 C

ATOM 1977 C GLY A 625 -7.479 32.127 62.901 1.00 13.44 C

ATOM 1978 O GLY A 625 -8.268 32.377 61.998 1.00 12.99 O

ATOM 1979 N LYS A 626 -6.666 31.075 62.872 1.00 13.74 N

ATOM 1980 CA LYS A 626 -6.651 30.138 61.754 1.00 13.33 C

ATOM 1981 C LYS A 626 -6.567 28.708 62.280 1.00 14.52 C

ATOM 1982 O LYS A 626 -5.674 28.382 63.061 1.00 15.50 O

ATOM 1983 CB LYS A 626 -5.450 30.403 60.846 1.00 13.38 C

ATOM 1984 CG LYS A 626 -5.488 31.689 60.047 1.00 13.04 C

ATOM 1985 CD LYS A 626 -4.118 31.956 59.417 1.00 13.27 C

ATOM 1986 CE LYS A 626 -4.245 32.567 58.030 1.00 14.45 C

ATOM 1987 NZ LYS A 626 -2.959 32.541 57.265 1.00 14.85 N

ATOM 1988 N ASP A 627 -7.472 27.846 61.832 1.00 13.64 N

ATOM 1989 CA ASP A 627 -7.612 26.528 62.441 1.00 12.55 C

ATOM 1990 C ASP A 627 -8.387 25.572 61.536 1.00 11.03 C

ATOM 1991 O ASP A 627 -9.048 26.001 60.595 1.00 11.28 O

ATOM 1992 CB ASP A 627 -8.342 26.674 63.785 1.00 12.47 C

ATOM 1993 CG ASP A 627 -8.051 25.534 64.753 1.00 14.84 C

ATOM 1994 OD1 ASP A 627 -7.256 24.619 64.426 1.00 13.42 O

ATOM 1995 OD2 ASP A 627 -8.590 25.476 65.883 1.00 15.84 O

ATOM 1996 N SER A 628 -8.287 24.276 61.817 1.00 9.42 N

ATOM 1997 CA SER A 628 -9.174 23.296 61.198 1.00 10.19 C

ATOM 1998 C SER A 628 -10.166 22.878 62.278 1.00 10.56 C

ATOM 1999 O SER A 628 -9.835 22.925 63.463 1.00 10.51 O

ATOM 2000 CB SER A 628 -8.393 22.102 60.647 1.00 9.36 C

ATOM 2001 OG SER A 628 -7.530 21.555 61.623 1.00 11.10 O

ATOM 2002 N CYS A 629 -11.387 22.521 61.887 1.00 10.79 N

ATOM 2003 CA CYS A 629 -12.441 22.267 62.871 1.00 11.98 C

ATOM 2004 C CYS A 629 -13.165 20.962 62.662 1.00 12.18 C

ATOM 2005 O CYS A 629 -12.881 20.222 61.727 1.00 13.77 O

ATOM 2006 CB CYS A 629 -13.491 23.375 62.825 1.00 12.71 C

ATOM 2007 SG CYS A 629 -12.817 25.029 62.691 1.00 17.07 S

ATOM 2008 N ARG A 630 -14.116 20.697 63.552 1.00 12.56 N

ATOM 2009 CA ARG A 630 -15.115 19.663 63.341 1.00 12.49 C

ATOM 2010 C ARG A 630 -15.534 19.656 61.868 1.00 10.63 C

ATOM 2011 O ARG A 630 -15.909 20.697 61.310 1.00 5.21 O

ATOM 2012 CB ARG A 630 -16.327 19.944 64.230 1.00 14.79 C

ATOM 2013 CG ARG A 630 -17.299 18.783 64.368 1.00 21.39 C

ATOM 2014 CD ARG A 630 -18.621 19.153 65.045 1.00 26.38 C

ATOM 2015 NE ARG A 630 -19.729 19.119 64.095 1.00 31.21 N

ATOM 2016 CZ ARG A 630 -20.721 20.002 64.057 1.00 33.92 C

ATOM 2017 NH1 ARG A 630 -20.758 21.008 64.925 1.00 35.16 N

ATOM 2018 NH2 ARG A 630 -21.680 19.880 63.146 1.00 35.02 N

ATOM 2019 N GLY A 631 -15.466 18.482 61.244 1.00 8.79 N

ATOM 2020 CA GLY A 631 -15.811 18.334 59.841 1.00 7.85 C

ATOM 2021 C GLY A 631 -14.605 18.337 58.919 1.00 7.99 C

ATOM 2022 O GLY A 631 -14.694 17.925 57.754 1.00 4.79 O

ATOM 2023 N ASP A 632 -13.473 18.815 59.434 1.00 6.84 N

ATOM 2024 CA ASP A 632 -12.233 18.838 58.666 1.00 8.27 C

ATOM 2025 C ASP A 632 -11.459 17.533 58.861 1.00 9.29 C

ATOM 2026 O ASP A 632 -10.483 17.273 58.147 1.00 7.69 O

ATOM 2027 CB ASP A 632 -11.361 20.025 59.075 1.00 7.30 C

ATOM 2028 CG ASP A 632 -11.887 21.353 58.550 1.00 7.52 C

ATOM 2029 OD1 ASP A 632 -11.810 22.358 59.297 1.00 7.42 O

ATOM 2030 OD2 ASP A 632 -12.371 21.503 57.407 1.00 6.03 O

ATOM 2031 N SER A 633 -11.903 16.739 59.839 1.00 8.53 N

ATOM 2032 CA SER A 633 -11.330 15.432 60.171 1.00 9.01 C

ATOM 2033 C SER A 633 -10.910 14.611 58.964 1.00 8.29 C

ATOM 2034 O SER A 633 -11.696 14.414 58.034 1.00 8.59 O

ATOM 2035 CB SER A 633 -12.340 14.603 60.977 1.00 8.62 C

ATOM 2036 OG SER A 633 -12.551 15.153 62.267 1.00 13.26 O

ATOM 2037 N GLY A 634 -9.680 14.111 58.996 1.00 7.53 N

ATOM 2038 CA GLY A 634 -9.182 13.244 57.942 1.00 7.49 C

ATOM 2039 C GLY A 634 -8.440 13.971 56.832 1.00 8.52 C

ATOM 2040 O GLY A 634 -7.668 13.366 56.091 1.00 9.51 O

ATOM 2041 N GLY A 635 -8.668 15.274 56.714 1.00 6.94 N

ATOM 2042 CA GLY A 635 -8.010 16.066 55.691 1.00 6.25 C

ATOM 2043 C GLY A 635 -6.499 16.053 55.798 1.00 7.59 C

ATOM 2044 O GLY A 635 -5.944 15.923 56.892 1.00 9.16 O

ATOM 2045 N ALA A 636 -5.840 16.179 54.650 1.00 5.98 N

ATOM 2046 CA ALA A 636 -4.393 16.269 54.587 1.00 6.06 C

ATOM 2047 C ALA A 636 -3.922 17.692 54.857 1.00 6.32 C

ATOM 2048 O ALA A 636 -4.393 18.653 54.218 1.00 5.46 O

ATOM 2049 CB ALA A 636 -3.885 15.797 53.198 1.00 4.65 C

ATOM 2050 N LEU A 637 -3.002 17.823 55.808 1.00 6.58 N

ATOM 2051 CA LEU A 637 -2.256 19.061 56.005 1.00 6.75 C

ATOM 2052 C LEU A 637 -1.054 18.968 55.074 1.00 6.14 C

ATOM 2053 O LEU A 637 -0.150 18.167 55.306 1.00 7.21 O

ATOM 2054 CB LEU A 637 -1.805 19.203 57.465 1.00 6.92 C

ATOM 2055 CG LEU A 637 -1.030 20.463 57.858 1.00 6.78 C

ATOM 2056 CD1 LEU A 637 -1.949 21.679 57.898 1.00 6.78 C

ATOM 2057 CD2 LEU A 637 -0.322 20.275 59.201 1.00 6.79 C

ATOM 2058 N VAL A 638 -1.074 19.759 54.003 1.00 5.66 N

ATOM 2059 CA VAL A 638 -0.067 19.676 52.945 1.00 5.90 C

ATOM 2060 C VAL A 638 1.016 20.751 53.049 1.00 7.81 C

ATOM 2061 O VAL A 638 0.791 21.826 53.605 1.00 8.44 O

ATOM 2062 CB VAL A 638 -0.714 19.744 51.540 1.00 5.99 C

ATOM 2063 CG1 VAL A 638 -1.487 18.460 51.248 1.00 7.86 C

ATOM 2064 CG2 VAL A 638 -1.636 20.960 51.417 1.00 3.93 C

ATOM 2065 N PHE A 639 2.193 20.441 52.512 1.00 6.41 N

ATOM 2066 CA PHE A 639 3.332 21.353 52.505 1.00 5.73 C

ATOM 2067 C PHE A 639 3.952 21.318 51.113 1.00 6.00 C

ATOM 2068 O PHE A 639 3.817 20.324 50.401 1.00 5.89 O

ATOM 2069 CB PHE A 639 4.371 20.908 53.530 1.00 6.26 C

ATOM 2070 CG PHE A 639 3.886 20.960 54.950 1.00 8.00 C

ATOM 2071 CD1 PHE A 639 3.113 19.936 55.467 1.00 6.88 C

ATOM 2072 CD2 PHE A 639 4.214 22.034 55.773 1.00 8.32 C

ATOM 2073 CE1 PHE A 639 2.660 19.978 56.773 1.00 7.91 C

ATOM 2074 CE2 PHE A 639 3.767 22.082 57.084 1.00 8.50 C

ATOM 2075 CZ PHE A 639 2.985 21.052 57.584 1.00 7.20 C

ATOM 2076 N LEU A 640 4.638 22.388 50.725 1.00 6.05 N

ATOM 2077 CA LEU A 640 5.256 22.443 49.396 1.00 7.47 C

ATOM 2078 C LEU A 640 6.750 22.127 49.422 1.00 8.39 C

ATOM 2079 O LEU A 640 7.545 22.854 50.021 1.00 10.56 O

ATOM 2080 CB LEU A 640 5.022 23.809 48.727 1.00 5.78 C

ATOM 2081 CG LEU A 640 5.781 24.110 47.425 1.00 8.23 C

ATOM 2082 CD1 LEU A 640 5.323 23.207 46.293 1.00 6.56 C

ATOM 2083 CD2 LEU A 640 5.625 25.579 47.016 1.00 7.86 C

ATOM 2084 N ASP A 641 7.129 21.047 48.753 1.00 8.05 N

ATOM 2085 CA ASP A 641 8.535 20.772 48.504 1.00 8.37 C

ATOM 2086 C ASP A 641 8.996 21.762 47.446 1.00 8.39 C

ATOM 2087 O ASP A 641 8.696 21.594 46.265 1.00 8.44 O

ATOM 2088 CB ASP A 641 8.708 19.331 48.014 1.00 8.95 C

ATOM 2089 CG ASP A 641 10.156 18.964 47.754 1.00 10.18 C

ATOM 2090 OD1 ASP A 641 10.955 19.846 47.366 1.00 9.27 O

ATOM 2091 OD2 ASP A 641 10.584 17.801 47.904 1.00 12.66 O

ATOM 2092 N SER A 642 9.714 22.802 47.865 1.00 8.39 N

ATOM 2093 CA SER A 642 10.069 23.894 46.959 1.00 9.36 C

ATOM 2094 C SER A 642 11.097 23.505 45.894 1.00 9.87 C

ATOM 2095 O SER A 642 11.336 24.258 44.952 1.00 9.53 O

ATOM 2096 CB SER A 642 10.557 25.110 47.744 1.00 9.92 C

ATOM 2097 OG SER A 642 11.762 24.822 48.426 1.00 11.24 O

ATOM 2098 N GLU A 643 11.695 22.329 46.038 1.00 9.88 N

ATOM 2099 CA GLU A 643 12.676 21.857 45.069 1.00 10.12 C

ATOM 2100 C GLU A 643 12.038 21.020 43.961 1.00 9.52 C

ATOM 2101 O GLU A 643 12.363 21.195 42.792 1.00 9.01 O

ATOM 2102 CB GLU A 643 13.802 21.087 45.758 1.00 9.32 C

ATOM 2103 CG GLU A 643 14.764 21.972 46.538 1.00 12.15 C

ATOM 2104 CD GLU A 643 15.528 22.945 45.656 1.00 12.20 C

ATOM 2105 OE1 GLU A 643 15.920 22.565 44.533 1.00 12.41 O

ATOM 2106 OE2 GLU A 643 15.733 24.098 46.088 1.00 13.59 O

ATOM 2107 N THR A 644 11.136 20.111 44.320 1.00 9.99 N

ATOM 2108 CA THR A 644 10.416 19.345 43.304 1.00 11.74 C

ATOM 2109 C THR A 644 9.221 20.141 42.796 1.00 12.55 C

ATOM 2110 O THR A 644 8.710 19.883 41.707 1.00 14.41 O

ATOM 2111 CB THR A 644 9.931 17.991 43.852 1.00 11.12 C

ATOM 2112 OG1 THR A 644 9.039 18.216 44.952 1.00 11.69 O

ATOM 2113 CG2 THR A 644 11.081 17.205 44.462 1.00 9.06 C

ATOM 2114 N GLU A 645 8.784 21.105 43.600 1.00 12.18 N

ATOM 2115 CA GLU A 645 7.609 21.914 43.297 1.00 13.55 C

ATOM 2116 C GLU A 645 6.340 21.078 43.333 1.00 11.23 C

ATOM 2117 O GLU A 645 5.412 21.299 42.560 1.00 11.63 O

ATOM 2118 CB GLU A 645 7.764 22.622 41.953 1.00 15.53 C

ATOM 2119 CG GLU A 645 8.864 23.671 41.963 1.00 19.29 C

ATOM 2120 CD GLU A 645 8.902 24.486 40.688 1.00 21.64 C

ATOM 2121 OE1 GLU A 645 8.938 23.886 39.594 1.00 22.32 O

ATOM 2122 OE2 GLU A 645 8.896 25.726 40.782 1.00 22.97 O

ATOM 2123 N ARG A 646 6.313 20.122 44.252 1.00 9.05 N

ATOM 2124 CA ARG A 646 5.180 19.229 44.410 1.00 9.41 C

ATOM 2125 C ARG A 646 4.730 19.300 45.856 1.00 9.84 C

ATOM 2126 O ARG A 646 5.553 19.411 46.768 1.00 10.14 O

ATOM 2127 CB ARG A 646 5.573 17.788 44.054 1.00 9.10 C

ATOM 2128 CG ARG A 646 5.952 17.580 42.592 1.00 12.31 C

ATOM 2129 CD ARG A 646 4.839 17.915 41.611 1.00 16.02 C

ATOM 2130 NE ARG A 646 5.315 18.025 40.237 1.00 21.72 N

ATOM 2131 CZ ARG A 646 5.681 16.990 39.484 1.00 24.44 C

ATOM 2132 NH1 ARG A 646 5.627 15.756 39.975 1.00 24.53 N

ATOM 2133 NH2 ARG A 646 6.104 17.189 38.239 1.00 24.90 N

ATOM 2134 N TRP A 647 3.422 19.246 46.062 1.00 8.53 N

ATOM 2135 CA TRP A 647 2.866 19.264 47.404 1.00 8.66 C

ATOM 2136 C TRP A 647 2.887 17.852 47.986 1.00 9.24 C

ATOM 2137 O TRP A 647 2.781 16.866 47.257 1.00 8.58 O

ATOM 2138 CB TRP A 647 1.439 19.805 47.373 1.00 9.53 C

ATOM 2139 CG TRP A 647 1.350 21.285 47.074 1.00 9.77 C

ATOM 2140 CD1 TRP A 647 1.302 21.876 45.844 1.00 9.18 C

ATOM 2141 CD2 TRP A 647 1.294 22.351 48.031 1.00 9.39 C

ATOM 2142 NE1 TRP A 647 1.221 23.242 45.977 1.00 9.01 N

ATOM 2143 CE2 TRP A 647 1.215 23.560 47.311 1.00 9.14 C

ATOM 2144 CE3 TRP A 647 1.291 22.405 49.434 1.00 8.83 C

ATOM 2145 CZ2 TRP A 647 1.143 24.811 47.941 1.00 10.14 C

ATOM 2146 CZ3 TRP A 647 1.222 23.647 50.060 1.00 8.96 C

ATOM 2147 CH2 TRP A 647 1.147 24.831 49.311 1.00 9.61 C

ATOM 2148 N PHE A 648 3.035 17.752 49.301 1.00 8.99 N

ATOM 2149 CA PHE A 648 3.019 16.454 49.961 1.00 8.17 C

ATOM 2150 C PHE A 648 2.247 16.534 51.272 1.00 8.74 C

ATOM 2151 O PHE A 648 2.038 17.621 51.809 1.00 9.65 O

ATOM 2152 CB PHE A 648 4.444 15.923 50.181 1.00 8.13 C

ATOM 2153 CG PHE A 648 5.226 16.677 51.224 1.00 7.38 C

ATOM 2154 CD1 PHE A 648 5.133 16.335 52.569 1.00 6.58 C

ATOM 2155 CD2 PHE A 648 6.061 17.723 50.860 1.00 7.23 C

ATOM 2156 CE1 PHE A 648 5.849 17.026 53.531 1.00 6.82 C

ATOM 2157 CE2 PHE A 648 6.786 18.415 51.815 1.00 6.31 C

ATOM 2158 CZ PHE A 648 6.680 18.071 53.149 1.00 6.05 C

ATOM 2159 N VAL A 649 1.818 15.384 51.776 1.00 8.36 N

ATOM 2160 CA VAL A 649 1.026 15.349 52.985 1.00 8.09 C

ATOM 2161 C VAL A 649 1.939 15.106 54.179 1.00 9.21 C

ATOM 2162 O VAL A 649 2.575 14.057 54.286 1.00 9.80 O

ATOM 2163 CB VAL A 649 -0.099 14.273 52.931 1.00 7.80 C

ATOM 2164 CG1 VAL A 649 0.446 12.936 52.425 1.00 6.37 C

ATOM 2165 CG2 VAL A 649 -0.751 14.112 54.316 1.00 5.76 C

ATOM 2166 N GLY A 650 2.012 16.091 55.070 1.00 7.37 N

ATOM 2167 CA GLY A 650 2.800 15.948 56.277 1.00 6.09 C

ATOM 2168 C GLY A 650 1.948 15.692 57.508 1.00 4.86 C

ATOM 2169 O GLY A 650 2.447 15.194 58.519 1.00 4.22 O

ATOM 2170 N GLY A 651 0.668 16.045 57.434 1.00 4.59 N

ATOM 2171 CA GLY A 651 -0.242 15.842 58.546 1.00 5.55 C

ATOM 2172 C GLY A 651 -1.640 15.412 58.145 1.00 7.02 C

ATOM 2173 O GLY A 651 -2.055 15.579 56.997 1.00 9.18 O

ATOM 2174 N ILE A 652 -2.362 14.842 59.105 1.00 7.20 N

ATOM 2175 CA ILE A 652 -3.770 14.506 58.945 1.00 6.94 C

ATOM 2176 C ILE A 652 -4.567 15.220 60.034 1.00 8.32 C

ATOM 2177 O ILE A 652 -4.185 15.182 61.205 1.00 8.21 O

ATOM 2178 CB ILE A 652 -3.977 12.978 59.051 1.00 7.09 C

ATOM 2179 CG1 ILE A 652 -3.272 12.250 57.897 1.00 6.46 C

ATOM 2180 CG2 ILE A 652 -5.473 12.632 59.052 1.00 7.28 C

ATOM 2181 CD1 ILE A 652 -3.040 10.759 58.154 1.00 5.28 C

ATOM 2182 N VAL A 653 -5.649 15.895 59.652 1.00 7.33 N

ATOM 2183 CA VAL A 653 -6.495 16.574 60.635 1.00 6.10 C

ATOM 2184 C VAL A 653 -7.026 15.570 61.655 1.00 7.52 C

ATOM 2185 O VAL A 653 -7.829 14.694 61.324 1.00 8.62 O

ATOM 2186 CB VAL A 653 -7.688 17.342 59.983 1 00 5.99 C

ATOM 2187 CG1 VAL A 653 -8.612 17.903 61.061 1.00 2.90 C

ATOM 2188 CG2 VAL A 653 -7.183 18.474 59.081 1.00 2.66 C

ATOM 2189 N SER A 654 -6.569 15.700 62.896 1.00 6.25 N

ATOM 2190 CA SER A 654 -6.861 14.705 63.912 1.00 7.29 C

ATOM 2191 C SER A 654 -7.726 15.236 65.067 1.00 7.65 C

ATOM 2192 O SER A 654 -8.872 14.825 65.220 1.00 9.33 O

ATOM 2193 CB SER A 654 -5.561 14.063 64.420 1.00 6.36 C

ATOM 2194 OG SER A 654 -5.819 13.128 65.461 1.00 4.82 O

ATOM 2195 N TRP A 655 -7.186 16.147 65.872 1.00 5.88 N

ATOM 2196 CA TRP A 655 -7.934 16.688 67.000 1.00 5.86 C

ATOM 2197 C TRP A 655 -7.454 18.074 67.431 1.00 5.87 C

ATOM 2198 O TRP A 655 -6.521 18.630 66.862 1.00 7.27 O

ATOM 2199 CB TRP A 655 -7.895 15.723 68.191 1.00 4.74 C

ATOM 2200 CG TRP A 655 -6.538 15.568 68.800 1.00 5.17 C

ATOM 2201 CD1 TRP A 655 -5.483 14.847 68.296 1.00 3.98 C

ATOM 2202 CD2 TRP A 655 -6.082 16.129 70.038 1.00 5.09 C

ATOM 2203 NE1 TRP A 655 -4.407 14.933 69.145 1.00 3.98 N

ATOM 2204 CE2 TRP A 655 -4.745 15.716 70.220 1.00 4.92 C

ATOM 2205 CE3 TRP A 655 -6.662 16.958 71.007 1.00 5.43 C

ATOM 2206 CZ2 TRP A 655 -3.989 16.094 71.333 1.00 4.89 C

ATOM 2207 CZ3 TRP A 655 -5.906 17.333 72.106 1.00 5.16 C

ATOM 2208 CH2 TRP A 655 -4.587 16.901 72.259 1.00 5.54 C

ATOM 2209 N GLY A 656 -8.120 18.620 68.438 1.00 7.04 N

ATOM 2210 CA GLY A 656 -7.792 19.916 68.999 1.00 8.65 C

ATOM 2211 C GLY A 656 -8.791 20.176 70.107 1.00 10.36 C

ATOM 2212 O GLY A 656 -9.523 19.263 70.502 1.00 9.14 O

ATOM 2213 N SER A 657 -8.830 21.405 70.616 1.00 12.10 N

ATOM 2214 CA SER A 657 -9.833 21.766 71.609 1.00 12.64 C

ATOM 2215 C SER A 657 -11.218 21.779 70.967 1.00 13.46 C

ATOM 2216 O SER A 657 -11.352 21.958 69.750 1.00 12.30 O

ATOM 2217 CB SER A 657 -9.519 23.121 72.256 1.00 13.59 C

ATOM 2218 OG SER A 657 -9.861 24.210 71.413 1.00 13.62 O

ATOM 2219 N MET A 658 -12.234 21.582 71.799 1.00 14.53 N

ATOM 2220 CA MET A 658 -13.626 21.524 71.370 1.00 17.22 C

ATOM 2221 C MET A 658 -14.083 22.761 70.600 1.00 16.14 C

ATOM 2222 O MET A 658 -14.773 22.646 69.595 1.00 17.74 O

ATOM 2223 CB MET A 658 -14.514 21.316 72.592 1.00 20.63 C

ATOM 2224 CG MET A 658 -15.923 20.845 72.305 1.00 24.57 C

ATOM 2225 SD MET A 658 -16.825 20.748 73.875 1.00 28.53 S

ATOM 2226 CE MET A 658 -15.496 21.053 75.043 1.00 27.77 C

ATOM 2227 N ASN A 659 -13.716 23.941 71.078 1.00 14.66 N

ATOM 2228 CA ASN A 659 -14.034 25.173 70.362 1.00 15.20 C

ATOM 2229 C ASN A 659 -13.000 25.490 69.286 1.00 14.43 C

ATOM 2230 O ASN A 659 -11.791 25.513 69.552 1.00 14.68 O

ATOM 2231 CB ASN A 659 -14.156 26.337 71.333 1.00 15.55 C

ATOM 2232 CG ASN A 659 -15.288 26.145 72.316 1.00 16.64 C

ATOM 2233 OD1 ASN A 659 -16.457 26.105 71.933 1.00 17.25 O

ATOM 2234 ND2 ASN A 659 -14.948 26.008 73.587 1.00 15.42 N

ATOM 2235 N CYS A 660 -13.470 25.727 68.067 1.00 13.54 N

ATOM 2236 CA CYS A 660 -12.544 25.976 66.975 1.00 14.46 C

ATOM 2237 C CYS A 660 -11.999 27.394 66.947 1.00 14.33 C

ATOM 2238 O CYS A 660 -12.723 28.364 67.206 1.00 13.70 O

ATOM 2239 CB CYS A 660 -13.154 25.626 65.627 1.00 15.60 C

ATOM 2240 SG CYS A 660 -11.863 25.364 64.398 1.00 17.58 S

ATOM 2241 N GLY A 661 -10.715 27.501 66.622 1.00 15.38 N

ATOM 2242 CA GLY A 661 -10.046 28.788 66.553 1.00 17.27 C

ATOM 2243 C GLY A 661 -9.858 29.419 67.922 1.00 19.21 C

ATOM 2244 O GLY A 661 -9.818 30.645 68.051 1.00 20.68 O

ATOM 2245 N GLU A 662 -9.753 28.574 68.943 1.00 17.51 N

ATOM 2246 CA GLU A 662 -9.516 29.027 70.307 1.00 17.93 C

ATOM 2247 C GLU A 662 -8.054 29.444 70.467 1.00 16.26 C

ATOM 2248 O GLU A 662 -7.149 28.726 70.033 1.00 14.44 O

ATOM 2249 CB GLU A 662 -9.858 27.911 71.298 1.00 18.32 C

ATOM 2250 CG GLU A 662 -10.103 28.399 72.714 1.00 21.80 C

ATOM 2251 CD GLU A 662 -10.319 27.270 73.698 1.00 22.90 C

ATOM 2252 OE1 GLU A 662 -10.546 26.121 73.260 1.00 23.74 O

ATOM 2253 OE2 GLU A 662 -10.260 27.533 74.916 1.00 25.28 O

ATOM 2254 N ALA A 663 -7.827 30.598 71.089 1.00 14.93 N

ATOM 2255 CA ALA A 663 -6.472 31.117 71.275 1.00 14.71 C

ATOM 2256 C ALA A 663 -5.631 30.187 72.148 1.00 13.87 C

ATOM 2257 O ALA A 663 -6.082 29.741 73.200 1.00 13.31 O

ATOM 2258 CB ALA A 663 -6.516 32.513 71.881 1.00 13.04 C

ATOM 2259 N GLY A 664 -4.409 29.899 71.712 1.00 13.64 N

ATOM 2260 CA GLY A 664 -3.498 29.078 72.491 1.00 12.98 C

ATOM 2261 C GLY A 664 -3.776 27.579 72.476 1.00 14.22 C

ATOM 2262 O GLY A 664 -3.084 26.825 73.155 1.00 14.40 O

ATOM 2263 N GLN A 665 -4.781 27.141 71.717 1.00 12.23 N

ATOM 2264 CA GLN A 665 -5.071 25.712 71.590 1.00 12.17 C

ATOM 2265 C GLN A 665 -4.915 25.259 70.142 1.00 11 89 C

ATOM 2266 O GLN A 665 -5.873 25.251 69.363 1.00 12.39 O

ATOM 2267 CB GLN A 665 -6.468 25.364 72.133 1.00 12.52 C

ATOM 2268 CG GLN A 665 -6.751 25.902 73.542 1.00 13.14 C

ATOM 2269 CD GLN A 665 -5.916 25.225 74.620 1.00 13.45 C

ATOM 2270 OE1 GLN A 665 -5.529 24.069 74.478 1.00 13.88 O

ATOM 2271 NE2 GLN A 665 -5.649 25.942 75.700 1.00 14.18 N

ATOM 2272 N TYR A 666 -3.692 24.872 69.801 1.00 9.61 N

ATOM 2273 CA TYR A 666 -3.314 24.552 68.429 1.00 9.71 C

ATOM 2274 C TYR A 666 -3.988 23.294 67.918 1.00 8.28 C

ATOM 2275 O TYR A 666 -4.307 22.398 68.695 1.00 7.96 O

ATOM 2276 CB TYR A 666 -1.790 24.426 68.337 1.00 9.95 C

ATOM 2277 CG TYR A 666 -1.108 25.501 69.147 1.00 10.21 C

ATOM 2278 CD1 TYR A 666 -0.633 25.244 70.426 1.00 10.15 C

ATOM 2279 CD2 TYR A 666 -0.992 26.793 68.649 1.00 11.35 C

ATOM 2280 CE1 TYR A 666 -0.030 26.239 71.174 1.00 12.23 C

ATOM 2281 CE2 TYR A 666 -0.392 27.795 69.392 1.00 13.28 C

ATOM 2282 CZ TYR A 666 0.083 27.511 70.652 1.00 12.92 C

ATOM 2283 OH TYR A 666 0.674 28.505 71.389 1.00 16.75 O

ATOM 2284 N GLY A 667 -4.219 23.249 66.610 1.00 6.04 N

ATOM 2285 CA GLY A 667 -4.695 22.045 65.963 1.00 5.58 C

ATOM 2286 C GLY A 667 -3.624 20.982 66.073 1.00 5.01 C

ATOM 2287 O GLY A 667 -2.438 21.282 65.982 1.00 3.75 O

ATOM 2288 N VAL A 668 -4.038 19.739 66.278 1.00 5.90 N

ATOM 2289 CA VAL A 668 -3.094 18.638 66.422 1.00 6.13 C

ATOM 2290 C VAL A 668 -3.273 17.668 65.266 1.00 7.70 C

ATOM 2291 O VAL A 668 -4.388 17.206 64.994 1.00 9.60 O

ATOM 2292 CB VAL A 668 -3.281 17.919 67.767 1.00 6.94 C

ATOM 2293 CG1 VAL A 668 -2.126 16.952 68.035 1.00 4.88 C

ATOM 2294 CG2 VAL A 668 -3.411 18.945 68.893 1.00 3.96 C

ATOM 2295 N TYR A 669 -2.178 17.382 64.565 1.00 8.49 N

ATOM 2296 CA TYR A 669 -2.235 16.567 63.358 1.00 7.43 C

ATOM 2297 C TYR A 669 -1.401 15.316 63.505 1.00 8.16 C

ATOM 2298 O TYR A 669 -0.358 15.337 64.151 1.00 10.20 O

ATOM 2299 CB TYR A 669 -1.756 17.374 62.151 1.00 6.49 C

ATOM 2300 CG TYR A 669 -2.548 18.643 61.942 1.00 6.53 C

ATOM 2301 CD1 TYR A 669 -2.397 19.723 62.802 1.00 4.67 C

ATOM 2302 CD2 TYR A 669 -3.468 18.749 60.903 1.00 7.08 C

ATOM 2303 CE1 TYR A 669 -3.121 20.877 62.628 1.00 7.03 C

ATOM 2304 CE2 TYR A 669 -4.203 19.907 60.718 1.00 6.23 C

ATOM 2305 CZ TYR A 669 -4.027 20.969 61.584 1.00 7.60 C

ATOM 2306 OH TYR A 669 -4.754 22.128 61.416 1.00 5.69 O

ATOM 2307 N THR A 670 -1.872 14.224 62.916 1.00 8.17 N

ATOM 2308 CA THR A 670 -1.106 12.994 62.862 1.00 8.42 C

ATOM 2309 C THR A 670 0.148 13.241 62.039 1.00 8.86 C

ATOM 2310 O THR A 670 0.074 13.801 60.942 1.00 10.32 O

ATOM 2311 CB THR A 670 -1.957 11.883 62.216 1.00 8.76 C

ATOM 2312 OG1 THR A 670 -3.170 11.741 62.964 1.00 9.80 O

ATOM 2313 CG2 THR A 670 -1.278 10.508 62.353 1.00 5.63 C

ATOM 2314 N LYS A 671 1.294 12.821 62.567 1.00 7.31 N

ATOM 2315 CA LYS A 671 2.578 13.046 61.910 1.00 7.00 C

ATOM 2316 C LYS A 671 2.825 11.967 60.865 1.00 7.38 C

ATOM 2317 O LYS A 671 3.367 10.901 61.163 1.00 7.85 O

ATOM 2318 CB LYS A 671 3.702 13.059 62.943 1.00 6.10 C

ATOM 2319 CG LYS A 671 4.965 13.764 62.474 1.00 6.90 C

ATOM 2320 CD LYS A 671 6.112 13.537 63.447 1.00 7.23 C

ATOM 2321 CE LYS A 671 7.334 14.338 63.041 1.00 10.39 C

ATOM 2322 NZ LYS A 671 8.123 14.749 64.235 1.00 14.84 N

ATOM 2323 N VAL A 672 2.412 12.251 59.635 1.00 6.07 N

ATOM 2324 CA VAL A 672 2.378 11.247 58.580 1.00 5.33 C

ATOM 2325 C VAL A 672 3.714 10.546 58.332 1.00 6.13 C

ATOM 2326 O VAL A 672 3.737 9.348 58.062 1.00 7.62 O

ATOM 2327 CB VAL A 672 1.833 11.852 57.250 1.00 4.76 C

ATOM 2328 CG1 VAL A 672 2.114 10.941 56.091 1.00 3.13 C

ATOM 2329 CG2 VAL A 672 0.336 12.098 57.367 1.00 2.81 C

ATOM 2330 N ILE A 673 4.821 11.282 58.429 1.00 6.40 N

ATOM 2331 CA ILE A 673 6.129 10.706 58.125 1.00 7.98 C

ATOM 2332 C ILE A 673 6.480 9.534 59.054 1.00 8.38 C

ATOM 2333 O ILE A 673 7.234 8.651 58.675 1.00 8.53 O

ATOM 2334 CB ILE A 673 7.231 11.794 58.135 1.00 9.24 C

ATOM 2335 CG1 ILE A 673 8.456 11.314 57.356 1.00 12.09 C

ATOM 2336 CG2 ILE A 673 7.620 12.179 59.580 1.00 6.93 C

ATOM 2337 CD1 ILE A 673 9.277 12.438 56.756 1.00 15.58 C

ATOM 2338 N ASN A 674 5.917 9.528 60.260 1.00 8.79 N

ATOM 2339 CA ASN A 674 6.115 8.429 61.203 1.00 9.76 C

ATOM 2340 C ASN A 674 5.498 7.121 60.699 1.00 9.60 C

ATOM 2341 O ASN A 674 5.891 6.032 61.124 1.00 8.16 O

ATOM 2342 CB ASN A 674 5.502 8.779 62.565 1.00 10.16 C

ATOM 2343 CG ASN A 674 6.360 9.737 63.366 1.00 13.15 C

ATOM 2344 OD1 ASN A 674 7.249 10.387 62.824 1.00 13.34 O

ATOM 2345 ND2 ASN A 674 6.095 9.826 64.671 1.00 13.18 N

ATOM 2346 N TYR A 675 4.534 7.240 59.786 1.00 8.17 N

ATOM 2347 CA TYR A 675 3.746 6.092 59.346 1.00 7.67 C

ATOM 2348 C TYR A 675 4.036 5.632 57.919 1.00 7.74 C

ATOM 2349 O TYR A 675 3.295 4.817 57.369 1.00 7.38 O

ATOM 2350 CB TYR A 675 2.255 6.387 59.522 1.00 6.52 C

ATOM 2351 CG TYR A 675 1.911 6.637 60.962 1.00 6.50 C

ATOM 2352 CD1 TYR A 675 1.919 7.921 61.488 1.00 6.65 C

ATOM 2353 CD2 TYR A 675 1.623 5.581 61.809 1.00 4.56 C

ATOM 2354 CE1 TYR A 675 1.630 8.140 62.820 1.00 7.94 C

ATOM 2355 CE2 TYR A 675 1.329 5.789 63.126 1.00 7.16 C

ATOM 2356 CZ TYR A 675 1.336 7.065 63.634 1.00 8.37 C

ATOM 2357 OH TYR A 675 1.039 7.261 64.963 1.00 7.80 O

ATOM 2358 N ILE A 676 5.110 6.149 57.329 1.00 7.39 N

ATOM 2359 CA ILE A 676 5.507 5.749 55.975 1.00 7.40 C

ATOM 2360 C ILE A 676 5.696 4.220 55.819 1.00 8.01 C

ATOM 2361 O ILE A 676 5.205 3.640 54.853 1.00 8.99 O

ATOM 2362 CB ILE A 676 6.773 6.537 55.531 1.00 7.45 C

ATOM 2363 CG1 ILE A 676 6.415 7.993 55.220 1.00 7.98 C

ATOM 2364 CG2 ILE A 676 7.454 5.877 54.348 1.00 5.53 C

ATOM 2365 CD1 ILE A 676 5.329 8.161 54.167 1.00 9.46 C

ATOM 2366 N PRO A 677 6.402 3.564 56.743 1.00 6.79 N

ATOM 2367 CA PRO A 677 6.534 2.099 56.691 1.00 7.06 C

ATOM 2368 C PRO A 677 5.180 1.373 56.768 1.00 5.72 C

ATOM 2369 O PRO A 677 4.945 0.425 56.009 1.00 2.96 O

ATOM 2370 CB PRO A 677 7.408 1.780 57.923 1.00 6.83 C

ATOM 2371 CG PRO A 677 8.194 3.057 58.158 1.00 6.52 C

ATOM 2372 CD PRO A 677 7.171 4.141 57.864 1.00 7.40 C

ATOM 2373 N TRP A 678 4.315 1.815 57.678 1.00 5.27 N

ATOM 2374 CA TRP A 678 2.972 1.257 57.815 1.00 6.28 C

ATOM 2375 C TRP A 678 2.181 1.455 56.508 1.00 6.86 C

ATOM 2376 O TRP A 678 1.608 0.500 55.966 1.00 7.67 O

ATOM 2377 CB TRP A 678 2.252 1.893 59.024 1.00 6.51 C

ATOM 2378 CG TRP A 678 0.865 1.365 59.282 1.00 6.72 C

ATOM 2379 CD1 TRP A 678 0.528 0.243 59.990 1.00 6.10 C

ATOM 2380 CD2 TRP A 678 -0.375 1.945 58.846 1.00 6.72 C

ATOM 2381 NE1 TRP A 678 -0.838 0.089 60.012 1.00 4.65 N

ATOM 2382 CE2 TRP A 678 -1.417 1.116 59.317 1.00 6.11 C

ATOM 2383 CE3 TRP A 678 -0.711 3.077 58.093 1.00 5.60 C

ATOM 2384 CZ2 TRP A 678 -2.765 1.382 59.059 1.00 5.60 C

ATOM 2385 CZ3 TRP A 678 -2.050 3.339 57.840 1.00 5.76 C

ATOM 2386 CH2 TRP A 678 -3.058 2.493 58.319 1.00 4.84 C

ATOM 2387 N ILE A 679 2.177 2.684 55.988 1.00 6.42 N

ATOM 2388 CA ILE A 679 1.501 2.986 54.722 1.00 5.99 C

ATOM 2389 C ILE A 679 2.018 2.123 53.562 1.00 7.97 C

ATOM 2390 O ILE A 679 1.233 1.509 52.823 1.00 8.51 O

ATOM 2391 CB ILE A 679 1.629 4.489 54.375 1.00 4.92 C

ATOM 2392 CG1 ILE A 679 0.826 5.338 55.365 1.00 3.85 C

ATOM 2393 CG2 ILE A 679 1.170 4.759 52.933 1.00 3.27 C

ATOM 2394 CD1 ILE A 679 1.285 6.759 55.461 1.00 3.39 C

ATOM 2395 N GLU A 680 3.338 2.077 53.404 1.00 8.92 N

ATOM 2396 CA GLU A 680 3.945 1.272 52.345 1.00 10.96 C

ATOM 2397 C GLU A 680 3.700 -0.241 52.522 1.00 9.82 C

ATOM 2398 O GLU A 680 3.557 -0.968 51.547 1.00 8.57 O

ATOM 2399 CB GLU A 680 5.446 1.581 52.227 1.00 13.06 C

ATOM 2400 CG GLU A 680 5.745 3.036 51.871 1.00 15.89 C

ATOM 2401 CD GLU A 680 7.235 3.322 51.693 1.00 17.90 C

ATOM 2402 OE1 GLU A 680 8.073 2.626 52.312 1.00 17.18 O

ATOM 2403 OE2 GLU A 680 7.567 4.256 50.933 1.00 18.14 O

ATOM 2404 N ASN A 681 3.663 -0.706 53.767 1.00 9.14 N

ATOM 2405 CA ASN A 681 3.315 -2.094 54.056 1.00 9.42 C

ATOM 2406 C ASN A 681 1.923 -2.448 53.534 1.00 8.56 C

ATOM 2407 O ASN A 681 1.743 -3.463 52.864 1.00 9.08 O

ATOM 2408 CB ASN A 681 3.387 -2.361 55.567 1.00 10.68 C

ATOM 2409 CG ASN A 681 3.042 -3.803 55.939 1.00 13.05 C

ATOM 2410 OD1 ASN A 681 2.902 -4.133 57.120 1.00 13.72 O

ATOM 2411 ND2 ASN A 681 2.920 -4.664 54.940 1.00 15.31 N

ATOM 2412 N ILE A 682 0.937 -1.613 53.842 1.00 8.23 N

ATOM 2413 CA ILE A 682 -0.445 -1.916 53.477 1.00 7.65 C

ATOM 2414 C ILE A 682 -0.681 -1.742 51.978 1.00 8.11 C

ATOM 2415 O ILE A 682 -1.252 -2.611 51.319 1.00 6.94 O

ATOM 2416 CB ILE A 682 -1.405 -1.042 54.290 1.00 8.60 C

ATOM 2417 CG1 ILE A 682 -1.489 -1.570 55.725 1.00 8.03 C

ATOM 2418 CG2 ILE A 682 -2.784 -0.979 53.634 1.00 7.67 C

ATOM 2419 CD1 ILE A 682 -2.175 -0.635 56.659 1.00 8.12 C

ATOM 2420 N ILE A 683 -0.224 -0.625 51.433 1.00 7.36 N

ATOM 2421 CA ILE A 683 -0.402 -0.379 50.015 1.00 7.04 C

ATOM 2422 C ILE A 683 0.313 -1.426 49.149 1.00 9.09 C

ATOM 2423 O ILE A 683 -0.226 -1.864 48.122 1.00 10.38 O

ATOM 2424 CB ILE A 683 0.037 1.050 49.663 1.00 5.36 C

ATOM 2425 CG1 ILE A 683 -0.981 2.043 50.237 1.00 4.21 C

ATOM 2426 CG2 ILE A 683 0.220 1.207 48.138 1.00 2.21 C

ATOM 2427 CD1 ILE A 683 -0.680 3.505 49.919 1.00 4.64 C

ATOM 2428 N SER A 684 1.509 -1.843 49.564 1.00 7.85 N

ATOM 2429 CA SER A 684 2.242 -2.851 48.794 1.00 8.32 C

ATOM 2430 C SER A 684 1.617 -4.245 48.915 1.00 7.57 C

ATOM 2431 O SER A 684 1.673 -5.047 47.980 1.00 7.19 O

ATOM 2432 CB SER A 684 3.723 -2.892 49.195 1.00 9.04 C

ATOM 2433 OG SER A 684 3.911 -3.604 50.410 1.00 6.97 O

ATOM 2434 N ASP A 685 1.009 -4.525 50.059 1.00 6.87 N

ATOM 2435 CA ASP A 685 0.516 -5.874 50.335 1.00 6.87 C

ATOM 2436 C ASP A 685 -0.922 -6.129 49.858 1.00 8.22 C

ATOM 2437 O ASP A 685 -1.367 -7.276 49.790 1.00 7.96 O

ATOM 2438 CB ASP A 685 0.647 -6.189 51.827 1.00 4.02 C

ATOM 2439 CG ASP A 685 0.789 -7.673 52.101 1.00 3.71 C

ATOM 2440 OD1 ASP A 685 1.311 -8.403 51.224 1.00 2.00 O

ATOM 2441 OD2 ASP A 685 0.401 -8.197 53.165 1.00 2.34 O

ATOM 2442 N PHE A 686 -1.648 -5.064 49.536 1.00 10.84 N

ATOM 2443 CA PHE A 686 -3.029 -5.209 49.095 1.00 15.39 C

ATOM 2444 C PHE A 686 -3.252 -4.475 47.779 1.00 19.06 C

ATOM 2445 O PHE A 686 -2.320 -4.305 46.991 1.00 22.16 O

ATOM 2446 CB PHE A 686 -4.008 -4.713 50.175 1.00 14.18 C

ATOM 2447 CG PHE A 686 -3.936 -5.495 51.462 1.00 13.62 C

ATOM 2448 CD1 PHE A 686 -3.071 -5.108 52.477 1.00 12.74 C

ATOM 2449 CD2 PHE A 686 -4.722 -6.623 51.652 1.00 13.51 C

ATOM 2450 CE1 PHE A 686 -2.988 -5.829 53.652 1.00 12.67 C

ATOM 2451 CE2 PHE A 686 -4.647 -7.350 52.826 1.00 12.89 C

ATOM 2452 CZ PHE A 686 -3.777 -6.956 53.827 1.00 12.47 C

ATOM 2453 OXT PHE A 686 -4.365 -4.042 47.485 1.00 22.21 O

TER 2454 PHE A 686

ATOM 2455 N CYS B 366 2.429 13.395 126.950 1.00 30.61 N

ATOM 2456 CA CYS B 366 2.133 12.837 125.594 1.00 32.00 C

ATOM 2457 C CYS B 366 0.689 12.345 125.492 1.00 30.86 C

ATOM 2458 O CYS B 366 0.190 12.075 124.399 1.00 29.89 O

ATOM 2459 CB CYS B 366 3.108 11.700 125.251 1.00 32.82 C

ATOM 2460 SG CYS B 366 4.857 12.088 125.541 1.00 35.02 S

ATOM 2461 N GLY B 367 0.022 12.240 126.639 1.00 30.70 N

ATOM 2462 CA GLY B 367 -1.343 11.749 126.687 1.00 30.15 C

ATOM 2463 C GLY B 367 -1.385 10.252 126.454 1.00 30.00 C

ATOM 2464 O GLY B 367 -0.340 9.614 126.334 1.00 31.13 O

ATOM 2465 N PRO B 368 -2.585 9.684 126.392 1.00 29.20 N

ATOM 2466 CA PRO B 368 -2.740 8.251 126.134 1.00 28.66 C

ATOM 2467 C PRO B 368 -2.058 7.863 124.824 1.00 29.12 C

ATOM 2468 O PRO B 368 -2.130 8.617 123.851 1.00 29.05 O

ATOM 2469 CB PRO B 368 -4.257 8.080 126.018 1.00 28.48 C

ATOM 2470 CG PRO B 368 -4.825 9.216 126.776 1.00 28.70 C

ATOM 2471 CD PRO B 368 -3.881 10.363 126.562 1.00 29.06 C

ATOM 2472 N PRO B 369 -1.399 6.707 124.801 1.00 28.67 N

ATOM 2473 CA PRO B 369 -0.704 6.245 123.597 1.00 27.52 C

ATOM 2474 C PRO B 369 -1.702 5.662 122.605 1.00 27.71 C

ATOM 2475 O PRO B 369 -2.751 5.164 123.017 1.00 27.91 O

ATOM 2476 CB PRO B 369 0.225 5.157 124.130 1.00 27.20 C

ATOM 2477 CG PRO B 369 -0.486 4.616 125.334 1.00 27.69 C

ATOM 2478 CD PRO B 369 -1.279 5.754 125.921 1.00 27.97 C

ATOM 2479 N ASP B 370 -1.392 5.735 121.317 1.00 27.14 N

ATOM 2480 CA ASP B 370 -2.312 5.241 120.301 1.00 28.61 C

ATOM 2481 C ASP B 370 -2.573 3.746 120.468 1.00 29.21 C

ATOM 2482 O ASP B 370 -1.701 3.000 120.915 1.00 29.00 O

ATOM 2483 CB ASP B 370 -1.775 5.535 118.899 1.00 28.17 C

ATOM 2484 CG ASP B 370 -1.340 6.978 118.735 1.00 28.21 C

ATOM 2485 OD1 ASP B 370 -1.188 7.675 119.758 1.00 27.65 O

ATOM 2486 OD2 ASP B 370 -1.125 7.501 117.624 1.00 28.28 O

ATOM 2487 N ASP B 371 -3.785 3.321 120.126 1.00 29.87 N

ATOM 2488 CA ASP B 371 -4.125 1.906 120.127 1.00 30.42 C

ATOM 2489 C ASP B 371 -3.332 1.226 119.015 1.00 30.63 C

ATOM 2490 O ASP B 371 -3.159 1.786 117.929 1.00 30.68 O

ATOM 2491 CB ASP B 371 -5.638 1.724 119.922 1.00 31.78 C

ATOM 2492 CG ASP B 371 -6.053 0.259 119.743 1.00 32.65 C

ATOM 2493 OD1 ASP B 371 -5.257 -0.554 119.233 1.00 33.47 O

ATOM 2494 OD2 ASP B 371 -7.178 -0.171 120.074 1.00 32.74 O

ATOM 2495 N LEU B 372 -2.834 0.026 119.299 1.00 30.42 N

ATOM 2496 CA LEU B 372 -2.114 -0.764 118.308 1.00 29.58 C

ATOM 2497 C LEU B 372 -2.992 -1.909 117.823 1.00 29.54 C

ATOM 2498 O LEU B 372 -3.343 -2.801 118.593 1.00 29.43 O

ATOM 2499 CB LEU B 372 -0.806 -1.302 118.895 1.00 28.50 C

ATOM 2500 CG LEU B 372 -0.071 -2.404 118.129 1.00 27.80 C

ATOM 2501 CD1 LEU B 372 0.564 -1.860 116.864 1.00 26.26 C

ATOM 2502 CD2 LEU B 372 0.977 -3.060 119.021 1.00 26.68 C

ATOM 2503 N PRO B 373 -3.359 -1.869 116.546 1.00 29.30 N

ATOM 2504 CA PRO B 373 -4.202 -2.911 115.950 1.00 29.75 C

ATOM 2505 C PRO B 373 -3.593 -4.293 116.156 1.00 29.51 C

ATOM 2506 O PRO B 373 -2.398 -4.473 115.907 1.00 29.66 O

ATOM 2507 CB PRO B 373 -4.200 -2.551 114.458 1.00 30.00 C

ATOM 2508 CG PRO B 373 -3.926 -1.080 114.428 1.00 30.26 C

ATOM 2509 CD PRO B 373 -2.992 -0.821 115.579 1.00 29.37 C

ATOM 2510 N SER B 374 -4.404 -5.244 116.614 1.00 28.43 N

ATOM 2511 CA SER B 374 -3.960 -6.621 116.822 1.00 28.61 C

ATOM 2512 C SER B 374 -2.851 -6.710 117.871 1.00 29.70 C

ATOM 2513 O SER B 374 -2.081 -7.672 117.913 1.00 30.33 O

ATOM 2514 CB SER B 374 -3.515 -7.252 115.500 1.00 26.46 C

ATOM 2515 OG SER B 374 -4.381 -6.867 114.442 1.00 26.32 O

ATOM 2516 N GLY B 375 -2.778 -5.693 118.719 1.00 31.12 N

ATOM 2517 CA GLY B 375 -1.823 -5.678 119.807 1.00 32.92 C

ATOM 2518 C GLY B 375 -2.415 -4.989 121.015 1.00 34.74 C

ATOM 2519 O GLY B 375 -3.617 -4.725 121.064 1.00 35.00 O

ATOM 2520 N ARG B 376 -1.568 -4.696 121.993 1.00 36.65 N

ATOM 2521 CA ARG B 376 -2.003 -3.987 123.181 1.00 38.33 C

ATOM 2522 C ARG B 376 -0.885 -3.085 123.683 1.00 39.14 C

ATOM 2523 O ARG B 376 0.268 -3.229 123.271 1.00 38.14 O

ATOM 2524 CB ARG B 376 -2.438 -4.975 124.266 1.00 39.14 C

ATOM 2525 CG ARG B 376 -1.331 -5.878 124.771 1.00 39.74 C

ATOM 2526 CD ARG B 376 -1.752 -7.322 124.962 1.00 40.63 C

ATOM 2527 NE ARG B 376 -0.615 -8.233 124.865 1.00 41.38 N

ATOM 2528 CZ ARG B 376 -0.690 -9.478 124.411 1.00 41.58 C

ATOM 2529 NH1 ARG B 376 -1.855 -9.975 124.010 1.00 41.05 N

ATOM 2530 NH2 ARG B 376 0.403 -10.229 124.360 1.00 41.82 N

ATOM 2531 N VAL B 377 -1.240 -2.149 124.562 1.00 41.05 N

ATOM 2532 CA VAL B 377 -0.286 -1.210 125.142 1.00 41.52 C

ATOM 2533 C VAL B 377 -0.324 -1.308 126.659 1.00 42.86 C

ATOM 2534 O VAL B 377 -1.386 -1.509 127.253 1.00 42.82 O

ATOM 2535 CB VAL B 377 -0.576 0.247 124.712 1.00 41.65 C

ATOM 2536 CG1 VAL B 377 -1.737 0.301 123.733 1.00 41.99 C

ATOM 2537 CG2 VAL B 377 -0.871 1.117 125.919 1.00 42.26 C

ATOM 2538 N GLU B 378 0.839 -1.161 127.284 1.00 43.95 N

ATOM 2539 CA GLU B 378 0.950 -1.324 128.725 1.00 44. 5 C

ATOM 2540 C GLU B 378 1.917 -0.315 129.344 1.00 43.88 C

ATOM 2541 O GLU B 378 3.084 -0.236 128.955 1.00 43.48 O

ATOM 2542 CB GLU B 378 1.357 -2.762 129.055 1.00 45.09 C

ATOM 2543 CG GLU B 378 0.179 -3.730 129.105 1.00 46.17 C

ATOM 2544 CD GLU B 378 0.204 -4.796 128.013 1.00 46.55 C

ATOM 2545 OE1 GLU B 378 1.142 -4.797 127.188 1.00 47.24 O

ATOM 2546 OE2 GLU B 378 -0.721 -5.642 127.984 1.00 45.98 O

ATOM 2547 N TYR B 379 1.414 0.462 130.303 1.00 43.21 N

ATOM 2548 CA TYR B 379 2.218 1.462 131.001 1.00 42.48 C

ATOM 2549 C TYR B 379 3.213 0.775 131.929 1.00 40.89 C

ATOM 2550 O TYR B 379 2.813 0.084 132.863 1.00 40.81 O

ATOM 2551 CB TYR B 379 1.331 2.391 131 837 1.00 43.26 C

ATOM 2552 CG TYR B 379 0.277 3.177 131.078 1.00 44.27 C

ATOM 2553 CD1 TYR B 379 -0.652 2.539 130.263 1.00 45.18 C

ATOM 2554 CD2 TYR B 379 0.193 4.558 131.205 1.00 44.80 C

ATOM 2555 CE1 TYR B 379 -1.621 3.259 129.581 1.00 45.61 C

ATOM 2556 CE2 TYR B 379 -0.773 5.284 130.530 1.00 45.28 C

ATOM 2557 CZ TYR B 379 -1.677 4.630 129.720 1.00 45.32 C

ATOM 2558 OH TYR B 379 -2.640 5.348 129.047 1.00 45.41 O

ATOM 2559 N ILE B 380 4.503 0.967 131.679 1.00 39.47 N

ATOM 2560 CA ILE B 380 5.524 0.387 132.543 1.00 38.99 C

ATOM 2561 C ILE B 380 5.787 1.270 133.763 1.00 39.59 C

ATOM 2562 O ILE B 380 6.092 0.766 134.845 1.00 39.74 O

ATOM 2563 CB ILE B 380 6.828 0.128 131.765 1.00 38.22 C

ATOM 2564 N THR B 381 5.662 2.584 133.587 1.00 39.76 N

ATOM 2565 CA THR B 381 5.840 3.525 134.690 1.00 39.88 C

ATOM 2566 C THR B 381 4.705 3.394 135.699 1.00 39.88 C

ATOM 2567 O THR B 381 4.940 3.163 136.885 1.00 39.98 O

ATOM 2568 CB THR B 381 5.922 4.977 134.167 1.00 40.16 C

ATOM 2569 OG1 THR B 381 7.213 5.210 133.592 1.00 40.52 O

ATOM 2570 CG2 THR B 381 5.874 5.975 135.325 1.00 40.04 C

ATOM 2571 N GLY B 382 3.475 3.539 135.217 1.00 39.84 N

ATOM 2572 CA GLY B 382 2.303 3.454 136.068 1.00 39.60 C

ATOM 2573 C GLY B 382 1.019 3.672 135.294 1.00 40.01 C

ATOM 2574 O GLY B 382 1.016 4.337 134.254 1.00 39.49 O

ATOM 2575 N PRO B 383 -0.074 3.110 135.802 1.00 40.26 N

ATOM 2576 CA PRO B 383 -1.388 3.225 135.160 1.00 40.58 C

ATOM 2577 C PRO B 383 -1.824 4.679 135.014 1.00 40.76 C

ATOM 2578 O PRO B 383 -2.017 5.365 136.016 1.00 39.84 O

ATOM 2579 CB PRO B 383 -2.316 2.499 136.138 1.00 40.61 C

ATOM 2580 CG PRO B 383 -1.420 1.573 136.886 1.00 40.49 C

ATOM 2581 CD PRO B 383 -0.126 2.311 137.038 1.00 40.28 C

ATOM 2582 N GLY B 384 -1.970 5.139 133.776 1.00 40.94 N

ATOM 2583 CA GLY B 384 -2.397 6.503 133.520 1.00 41.28 C

ATOM 2584 C GLY B 384 -1.321 7.538 133.793 1.00 41.11 C

ATOM 2585 O GLY B 384 -1.609 8.636 134.276 1.00 41.14 O

ATOM 2586 N VAL B 385 -0.074 7.183 133.495 1.00 40.78 N

ATOM 2587 CA VAL B 385 1.034 8.126 133.592 1.00 40.54 C

ATOM 2588 C VAL B 385 1.548 8.434 132.191 1.00 40.45 C

ATOM 2589 O VAL B 385 2.142 7.577 131.531 1.00 40.27 O

ATOM 2590 CB VAL B 385 2.182 7.585 134.466 1.00 40.73 C

ATOM 2591 N THR B 386 1.299 9.660 131.740 1.00 39.82 N

ATOM 2592 CA THR B 386 1.625 10.067 130.379 1.00 38.56 C

ATOM 2593 C THR B 386 2.259 11.455 130.358 1.00 38.43 C

ATOM 2594 O THR B 386 2.182 12.166 129.357 1.00 38.75 O

ATOM 2595 CB THR B 386 0.353 10.070 129.515 1.00 38.31 C

ATOM 2596 OG1 THR B 386 -0.598 10.987 130.068 1.00 37.74 O

ATOM 2597 CG2 THR B 386 -0.367 8.730 129.603 1.00 38.41 C

ATOM 2598 N THR B 387 2.882 11.834 131.470 1.00 38.50 N

ATOM 2599 CA THR B 387 3.470 13.163 131.615 1.00 38.26 C

ATOM 2600 C THR B 387 4.667 13.369 130.690 1.00 37.92 C

ATOM 2601 O THR B 387 4.527 13.883 129.578 1.00 37.18 O

ATOM 2602 CB THR B 387 3.887 13.395 133.072 1.00 38.15 C

ATOM 2603 OG1 THR B 387 2.849 12.929 133.943 1.00 38.54 O

ATOM 2604 CG2 THR B 387 3.954 14.884 133.376 1.00 39.54 C

ATOM 2605 N TYR B 388 5.870 12.990 131.087 1.00 35.97 N

ATOM 2606 CA TYR B 388 7.140 13.174 130.380 1.00 34.23 C

ATOM 2607 C TYR B 388 8.215 12.275 130.991 1.00 33.50 C

ATOM 2608 O TYR B 388 8.622 12.466 132.156 1.00 32.50 O

ATOM 2609 N LYS B 389 8.659 11.290 130 201 1.00 32.83 N

ATOM 2610 CA LYS B 389 9.703 10.371 130.642 1.00 32.95 C

ATOM 2611 C LYS B 389 9.160 8.970 130.915 1.00 32.80 C

ATOM 2612 O LYS B 389 9.928 8.036 131.158 1.00 32.32 O

ATOM 2613 N ALA B 390 7.838 8.828 130.876 1.00 32.98 N

ATOM 2614 CA ALA B 390 7.194 7.537 131.109 1.00 32.78 C

ATOM 2615 C ALA B 390 7.564 6.537 130.020 1.00 33.23 C

ATOM 2616 O ALA B 390 7.618 6.888 128.837 1.00 33.61 O

ATOM 2617 N VAL B 391 7.869 5.251 130.430 1.00 33.24 N

ATOM 2618 CA VAL B 391 8.288 4.207 129.495 1.00 32.81 C

ATOM 2619 C VAL B 391 7.250 3.096 129.371 1.00 32.21 C

ATOM 2620 O VAL B 391 7.058 2.313 130.298 1.00 32.74 O

ATOM 2621 N ILE B 392 6.589 3.036 128.218 1.00 31.16 N

ATOM 2622 CA ILE B 392 5.551 2.039 127.956 1.00 30.95 C

ATOM 2623 C ILE B 392 6.052 0.904 127.064 1.00 30.67 C

ATOM 2624 O ILE B 392 7.139 0.985 126.488 1.00 31.05 O

ATOM 2625 CB ILE B 392 4.317 2.699 127.303 1.00 30.19 C

ATOM 2626 CG1 ILE B 392 4.648 3.152 125.875 1.00 30.32 C

ATOM 2627 CG2 ILE B 392 3.829 3.864 128.145 1.00 30.34 C

ATOM 2628 CD1 ILE B 392 3.434 3.457 125.019 1.00 28.66 C

ATOM 2629 N GLN B 393 5.253 -0.146 126.942 1.00 30.69 N

ATOM 2630 CA GLN B 393 5.624 -1.301 126.129 1.00 30.08 C

ATOM 2631 C GLN B 393 4.496 -1.731 125.195 1.00 29.71 C

ATOM 2632 O GLN B 393 3.367 -1.961 125.634 1.00 29.68 O

ATOM 2633 CB GLN B 393 6.046 -2.472 127.020 1.00 30.42 C

ATOM 2634 CG GLN B 393 6.646 -3.646 126.259 1.00 30.93 C

ATOM 2635 CD GLN B 393 8.104 -3.422 125.891 1.00 30.91 C

ATOM 2636 OE1 GLN B 393 8.679 -2.377 126.216 1.00 29.67 O

ATOM 2637 NE2 GLN B 393 8.701 -4.385 125.216 1.00 30.93 N

ATOM 2638 N TYR B 394 4.812 -1.832 123.906 1.00 28.53 N

ATOM 2639 CA TYR B 394 3.874 -2.328 122.906 1.00 27.40 C

ATOM 2640 C TYR B 394 4.112 -3.818 122.673 1.00 27.82 C

ATOM 2641 O TYR B 394 5.253 -4.276 122.650 1.00 27.06 O

ATOM 2642 CB TYR B 394 4.029 -1.562 121.583 1.00 26.57 C

ATOM 2643 CG TYR B 394 3.156 -0.325 121.464 1.00 25.79 C

ATOM 2644 CD1 TYR B 394 3.714 0.949 121.486 1.00 24.99 C

ATOM 2645 CD2 TYR B 394 1.774 -0.433 121.322 1.00 25.64 C

ATOM 2646 CE1 TYR B 394 2.920 2.080 121.377 1.00 24.49 C

ATOM 2647 CE2 TYR B 394 0.972 0.692 121.211 1.00 24.08 C

ATOM 2648 CZ TYR B 394 1.550 1.946 121.240 1.00 24.18 C

ATOM 2649 OH TYR B 394 0.757 3.069 121.134 1.00 23.28 O

ATOM 2650 N SER B 395 3.032 -4.571 122.496 1.00 28.70 N

ATOM 2651 CA SER B 395 3.137 -6.007 122.262 1.00 29.14 C

ATOM 2652 C SER B 395 2.047 -6.483 121.308 1.00 29.00 C

ATOM 2653 O SER B 395 0.983 -5.874 121.217 1.00 29.77 O

ATOM 2654 CB SER B 395 3.079 -6.777 123.587 1.00 30.50 C

ATOM 2655 OG SER B 395 1.781 -6.731 124.158 1.00 31.26 O

ATOM 2656 N CYS B 396 2.325 -7.564 120.590 1.00 27.43 N

ATOM 2657 CA CYS B 396 1.381 -8.104 119.619 1.00 27.47 C

ATOM 2658 C CYS B 396 0.714 -9.361 120.146 1.00 26.81 C

ATOM 2659 O CYS B 396 1.245 -10.024 121.036 1.00 27.66 O

ATOM 2660 CB CYS B 396 2.106 -8.434 118.312 1.00 27.06 C

ATOM 2661 SG CYS B 396 2.595 -6.984 117.359 1.00 27.47 S

ATOM 2662 N GLU B 397 -0.454 -9.684 119.604 1.00 28.07 N

ATOM 2663 CA GLU B 397 -1.059 -10.991 119.855 1.00 29.37 C

ATOM 2664 C GLU B 397 -0.167 -12.039 119.195 1.00 28.10 C

ATOM 2665 O GLU B 397 -0.282 -12.300 117.999 1.00 27.95 O

ATOM 2666 CB GLU B 397 -2.490 -11.054 119.307 1.00 29.91 C

ATOM 2667 CG GLU B 397 -3.495 -10.226 120.101 1.00 31.94 C

ATOM 2668 CD GLU B 397 -4.655 -9.722 119.257 1.00 33.10 C

ATOM 2669 OE1 GLU B 397 -5.043 -10.414 118.288 1.00 35.12 O

ATOM 2670 OE2 GLU B 397 -5.189 -8.635 119.566 1.00 32.70 O

ATOM 2671 N GLU B 398 0.721 -12.631 119.990 1.00 27.89 N

ATOM 2672 CA GLU B 398 1.849 -13.413 119.477 1.00 27.81 C

ATOM 2673 C GLU B 398 1.503 -14.726 118.762 1.00 26.12 C

ATOM 2674 O GLU B 398 2.278 -15.191 117.923 1.00 27.50 O

ATOM 2675 CB GLU B 398 2.870 -13.667 120.592 1.00 28.89 C

ATOM 2676 CG GLU B 398 3.832 -12.512 120.819 1.00 31.16 C

ATOM 2677 CD GLU B 398 4.014 -12.167 122.289 1.00 33.01 C

ATOM 2678 OE1 GLU B 398 3.273 -12.715 123.138 1.00 33.37 O

ATOM 2679 OE2 GLU B 398 4.904 -11.344 122.600 1.00 33.88 O

ATOM 2680 N THR B 399 0.356 -15.322 119.082 1.00 22.89 N

ATOM 2681 CA THR B 399 -0.049 -16.577 118.440 1.00 19.45 C

ATOM 2682 C THR B 399 -0.255 -16.418 116.927 1.00 20.12 C

ATOM 2683 O THR B 399 0.109 -17.305 116.157 1.00 20.76 O

ATOM 2684 CB THR B 399 -1.333 -17.155 119.087 1.00 18.04 C

ATOM 2685 OG1 THR B 399 -1.086 -17.475 120.460 1.00 18.46 O

ATOM 2686 CG2 THR B 399 -1.685 -18.504 118.479 1.00 17.25 C

ATOM 2687 N PHE B 400 -0.828 -15.292 116.503 1.00 18.88 N

ATOM 2688 CA PHE B 400 -1.187 -15.114 115.094 1.00 19.63 C

ATOM 2689 C PHE B 400 -0.539 -13.895 114.429 1.00 19.49 C

ATOM 2690 O PHE B 400 -0.680 -13.691 113.223 1.00 19.29 O

ATOM 2691 CB PHE B 400 -2.711 -15.053 114.938 1.00 19.32 C

ATOM 2692 CG PHE B 400 -3.398 -16.370 115.175 1.00 19.90 C

ATOM 2693 CD1 PHE B 400 -4.267 -16.532 116.247 1.00 19.76 C

ATOM 2694 CD2 PHE B 400 -3.175 -17.445 114.330 1.00 20.14 C

ATOM 2695 CE1 PHE B 400 -4.900 -17.747 116.468 1.00 20.37 C

ATOM 2696 CE2 PHE B 400 -3.803 -18.661 114.548 1.00 20.91 C

ATOM 2697 CZ PHE B 400 -4.666 -18.812 115.622 1.00 19.51 C

ATOM 2698 N TYR B 401 0.157 -13.083 115.221 1.00 18.77 N

ATOM 2699 CA TYR B 401 0.826 -11.892 114.711 1.00 18.23 C

ATOM 2700 C TYR B 401 2.248 -11.795 115.248 1.00 19.46 C

ATOM 2701 O TYR B 401 2.561 -12.341 116.302 1.00 20.11 O

ATOM 2702 CB TYR B 401 0.058 -10.623 115.091 1.00 18.06 C

ATOM 2703 CG TYR B 401 -1.411 -10.628 114.740 1.00 19.71 C

ATOM 2704 CD1 TYR B 401 -2.335 -11.280 115.545 1.00 19.92 C

ATOM 2705 CD2 TYR B 401 -1.883 -9.966 113.604 1.00 21.25 C

ATOM 2706 CE1 TYR B 401 -3.682 -11.282 115.231 1.00 20.15 C

ATOM 2707 CE2 TYR B 401 -3.236 -9.965 113.281 1.00 19.84 C

ATOM 2708 CZ TYR B 401 -4.127 -10.625 114.100 1.00 19.92 C

ATOM 2709 OH TYR B 401 -5.474 -10.629 113.804 1.00 20.28 O

ATOM 2710 N THR B 402 3.116 -11.113 114.510 1.00 22.42 N

ATOM 2711 CA THR B 402 4.456 -10.818 114.999 1.00 24.90 C

ATOM 2712 C THR B 402 4.771 -9.335 114.813 1.00 25.69 C

ATOM 2713 O THR B 402 4.496 -8.757 113.758 1.00 25.23 O

ATOM 2714 CB THR B 402 5.522 -11.698 114.303 1.00 25.87 C

ATOM 2715 OG1 THR B 402 5.855 -11.142 113.024 1.00 27.35 O

ATOM 2716 CG2 THR B 402 4.955 -13.068 113.959 1.00 26.44 C

ATOM 2717 N MET B 403 5.330 -8.723 115.853 1.00 27.23 N

ATOM 2718 CA MET B 403 5.731 -7.323 115.804 1.00 29.01 C

ATOM 2719 C MET B 403 6.844 -7.136 114.786 1.00 29.67 C

ATOM 2720 O MET B 403 7.806 -7.901 114.760 1.00 28.89 O

ATOM 2721 CB MET B 403 6.189 -6.844 117.185 1.00 28.99 C

ATOM 2722 CG MET B 403 6.575 -5.374 117.225 1.00 30.02 C

ATOM 2723 SD MET B 403 6.512 -4.648 118.873 1.00 31.50 S

ATOM 2724 CE MET B 403 4.759 -4.748 119.219 1.00 29.24 C

ATOM 2725 N LYS B 404 6.704 -6.125 113.936 1.00 32.27 N

ATOM 2726 CA LYS B 404 7.705 -5.857 112.909 1.00 35.32 C

ATOM 2727 C LYS B 404 8.325 -4.472 113.078 1.00 36.57 C

ATOM 2728 O LYS B 404 7.762 -3.607 113.757 1.00 36.60 O

ATOM 2729 CB LYS B 404 7.100 -6.005 111.510 1.00 35.95 C

ATOM 2730 CG LYS B 404 6.587 -7.402 111.200 1.00 37.05 C

ATOM 2731 CD LYS B 404 7.505 -8.136 110.237 1.00 37.08 C

ATOM 2732 CE LYS B 404 7.157 -9.613 110.179 1.00 37.37 C

ATOM 2733 NZ LYS B 404 8.204 -10.416 109.491 1.00 36.71 N

ATOM 2734 N VAL B 405 9.493 -4.285 112.467 1.00 37.82 N

ATOM 2735 CA VAL B 405 10.194 -3.001 112.452 1.00 39.00 C

ATOM 2736 C VAL B 405 10.410 -2.398 113.843 1.00 39.75 C

ATOM 2737 O VAL B 405 10.758 -1.223 113.972 1.00 40.54 O

ATOM 2738 CB VAL B 405 9.488 -1.977 111.518 1.00 38.97 C

ATOM 2739 CG1 VAL B 405 8.544 -1.062 112.296 1.00 38.51 C

ATOM 2740 CG2 VAL B 405 10.512 -1.173 110.736 1.00 38.95 C

ATOM 2741 N ASN B 406 10.224 -3.212 114.879 1.00 40.26 N

ATOM 2742 CA ASN B 406 10.278 -2.708 116.247 1.00 40.07 C

ATOM 2743 C ASN B 406 10.449 -3.796 117.307 1.00 40.30 C

ATOM 2744 O ASN B 406 10.789 -4.942 116.992 1.00 39.02 O

ATOM 2745 CB ASN B 406 9.022 -1.893 116.546 1.00 39.70 C

ATOM 2746 CG ASN B 406 9.266 -0.817 117.574 1.00 40.47 C

ATOM 2747 OD1 ASN B 406 9.977 -1.034 118.555 1.00 41.23 O

ATOM 2748 ND2 ASN B 406 8.679 0.353 117.357 1.00 39.76 N

ATOM 2749 N ASP B 407 10.219 -3.420 118.566 1.00 39.83 N

ATOM 2750 CA ASP B 407 10.271 -4.366 119.677 1.00 40.03 C

ATOM 2751 C ASP B 407 9.597 -3.863 120.958 1.00 40.25 C

ATOM 2752 O ASP B 407 9.866 -4.376 122.055 1.00 40.57 O

ATOM 2753 CB ASP B 407 11.709 -4.821 119.955 1.00 39.74 C

ATOM 2754 CG ASP B 407 12.610 -3.682 120.398 1.00 39.76 C

ATOM 2755 OD1 ASP B 407 12.229 -2.503 120.211 1.00 39.90 O

ATOM 2756 OD2 ASP B 407 13.720 -3.874 120.940 1.00 39.38 O

ATOM 2757 N GLY B 408 8.736 -2.851 120.818 1.00 40.04 N

ATOM 2758 CA GLY B 408 7.843 -2.470 121.900 1.00 40.00 C

ATOM 2759 C GLY B 408 8.178 -1.238 122.719 1.00 40.21 C

ATOM 2760 O GLY B 408 7.314 -0.387 122.930 1.00 40.31 O

ATOM 2761 N LYS B 409 9.418 -1.149 123.197 1.00 40.05 N

ATOM 2762 CA LYS B 409 9.831 -0.065 124.092 1.00 39.61 C

ATOM 2763 C LYS B 409 9.570 1.331 123.522 1.00 39.39 C

ATOM 2764 O LYS B 409 10.135 1.703 122.493 1.00 40.14 O

ATOM 2765 N TYR B 410 8.710 2.093 124.198 1.00 38.65 N

ATOM 2766 CA TYR B 410 8.378 3.462 123.787 1.00 37.35 C

ATOM 2767 C TYR B 410 8.342 4.413 124.984 1.00 36.61 C

ATOM 2768 O TYR B 410 7.963 4.019 126.089 1.00 36.77 O

ATOM 2769 CB TYR B 410 7.037 3.500 123.054 1.00 36.16 C

ATOM 2770 CG TYR B 410 7.137 3.199 121.576 1.00 36.03 C

ATOM 2771 CD1 TYR B 410 7.329 1.897 121.121 1.00 36.12 C

ATOM 2772 CD2 TYR B 410 7.026 4.211 120.632 1.00 36.04 C

ATOM 2773 CE1 TYR B 410 7.421 1.613 119.766 1.00 35.58 C

ATOM 2774 CE2 TYR B 410 7.111 3.935 119.272 1.00 36.78 C

ATOM 2775 CZ TYR B 410 7.309 2.635 118.845 1.00 35.82 C

ATOM 2776 OH TYR B 410 7.402 2.357 117.493 1.00 36.84 O

ATOM 2777 N VAL B 411 8.722 5.668 124.753 1.00 36.28 N

ATOM 2778 CA VAL B 411 8.903 6.633 125.837 1.00 35.78 C

ATOM 2779 C VAL B 411 8.239 7.986 125.551 1.00 36.13 C

ATOM 2780 O VAL B 411 7.978 8.332 124.396 1.00 36.86 O

ATOM 2781 CB VAL B 411 10.407 6.839 126.140 1.00 35.27 C

ATOM 2782 CG1 VAL B 411 11.047 7.762 125.106 1.00 34.98 C

ATOM 2783 CG2 VAL B 411 10.613 7.369 127.552 1.00 34.56 C

ATOM 2784 N CYS B 412 7.970 8.745 126.613 1.00 35.44 N

ATOM 2785 CA CYS B 412 7.347 10.060 126.490 1.00 34.77 C

ATOM 2786 C CYS B 412 8.397 11.166 126.433 1.00 34.94 C

ATOM 2787 O CYS B 412 8.226 12.167 125.735 1.00 34.37 O

ATOM 2788 CB CYS B 412 6.385 10.310 127.655 1.00 34.40 C

ATOM 2789 SG CYS B 412 5.354 11.788 127.490 1.00 33.86 S

ATOM 2790 N GLY B 416 6.224 16.510 122.686 1.00 34.74 N

ATOM 2791 CA GLY B 416 5.028 16.087 123.391 1.00 35.12 C

ATOM 2792 C GLY B 416 4.331 14.917 122.723 1.00 35.55 C

ATOM 2793 O GLY B 416 3.103 14.876 122.649 1.00 35.66 O

ATOM 2794 N PHE B 417 5.117 13.962 122.236 1.00 35.95 N

ATOM 2795 CA PHE B 417 4.575 12.783 121.569 1.00 36.47 C

ATOM 2796 C PHE B 417 5.305 11.517 122.009 1.00 36.62 C

ATOM 2797 O PHE B 417 6.363 11.592 122.637 1.00 37.24 O

ATOM 2798 CB PHE B 417 4.665 12.940 120.048 1.00 36.49 C

ATOM 2799 N TRP B 418 4.735 10.361 121.677 1.00 36.37 N

ATOM 2800 CA TRP B 418 5.339 9.071 122.010 1.00 35.78 C

ATOM 2801 C TRP B 418 6.410 8.689 120.994 1.00 36.60 C

ATOM 2802 O TRP B 418 6.167 8.711 119.786 1.00 37.20 O

ATOM 2803 CB TRP B 418 4.271 7.977 122.086 1.00 34.29 C

ATOM 2804 CG TRP B 418 3.338 8.133 123.252 1.00 33.07 C

ATOM 2805 CD1 TRP B 418 2.045 8.575 123.218 1.00 32.75 C

ATOM 2806 CD2 TRP B 418 3.628 7.855 124.627 1.00 32.56 C

ATOM 2807 NE1 TRP B 418 1.514 8.586 124.486 1.00 32.31 N

ATOM 2808 CE2 TRP B 418 2.465 8.149 125.370 1.00 32.31 C

ATOM 2809 CE3 TRP B 418 4.755 7.384 125.310 1.00 32.25 C

ATOM 2810 CZ2 TRP B 418 2.398 7.987 126.754 1.00 32.22 C

ATOM 2811 CZ3 TRP B 418 4.687 7.226 126.683 1.00 31.97 C

ATOM 2812 CH2 TRP B 418 3.517 7.526 127.390 1.00 32.27 C

ATOM 2813 N THR B 419 7.593 8.340 121.491 1.00 36.24 N

ATOM 2814 CA THR B 419 8.724 8.011 120.630 1.00 35.69 C

ATOM 2815 C THR B 419 9.351 6.684 121.042 1.00 36.38 C

ATOM 2816 O THR B 419 9.235 6.269 122.195 1.00 35.93 O

ATOM 2817 CB THR B 419 9.777 9.147 120.655 1.00 35.64 C

ATOM 2818 OG1 THR B 419 11.092 8.594 120.807 1.00 34.77 O

ATOM 2819 CG2 THR B 419 9.609 10.011 121.898 1.00 34.90 C

ATOM 2820 N SER B 420 10.020 6.027 120.097 1.00 37.31 N

ATOM 2821 CA SER B 420 10.552 4.681 120.321 1.00 37.64 C

ATOM 2822 C SER B 420 11.965 4.673 120.891 1.00 36.68 C

ATOM 2823 O SER B 420 12.615 5.713 120.989 1.00 37.47 O

ATOM 2824 CB SER B 420 10.509 3.860 119.027 1.00 37.30 C

ATOM 2825 OG SER B 420 11.711 4.012 118.294 1.00 36.67 O

ATOM 2826 N SER B 421 12.430 3.482 121.256 1.00 36.49 N

ATOM 2827 CA SER B 421 13.755 3.300 121.831 1.00 36.61 C

ATOM 2828 C SER B 421 14.857 3.552 120.806 1.00 36.63 C

ATOM 2829 O SER B 421 15.880 4.159 121.124 1.00 36.52 O

ATOM 2830 CB SER B 421 13.895 1.891 122.413 1.00 36.86 C

ATOM 2831 N LYS B 422 14.643 3.084 119.580 1.00 36.38 N

ATOM 2832 CA LYS B 422 15.627 3.256 118.514 1.00 36.26 C

ATOM 2833 C LYS B 422 15.633 4.689 117.985 1.00 36.24 C

ATOM 2834 O LYS B 422 16.695 5.259 117.726 1.00 36.21 O

ATOM 2835 CB LYS B 422 15.374 2.268 117.373 1.00 35.95 C

ATOM 2836 N GLY B 423 14.445 5.268 117.832 1.00 35.97 N

ATOM 2837 CA GLY B 423 14.317 6.631 117.349 1.00 35.94 C

ATOM 2838 C GLY B 423 13.161 6.810 116.386 1.00 36.10 C

ATOM 2839 O GLY B 423 13.237 7.611 115.454 1.00 35.84 O

ATOM 2840 N GLU B 424 12.088 6.060 116.612 1.00 36.83 N

ATOM 2841 CA GLU B 424 10.899 6.140 115.770 1.00 37.06 C

ATOM 2842 C GLU B 424 9.734 6.766 116.535 1.00 37.34 C

ATOM 2843 O GLU B 424 9.692 6.725 117.765 1.00 37.01 O

ATOM 2844 CB GLU B 424 10.517 4.750 115.245 1.00 37.13 C

ATOM 2845 CG GLU B 424 11.483 4.192 114.207 1.00 37.90 C

ATOM 2846 CD GLU B 424 11.711 2.697 114.351 1.00 38.04 C

ATOM 2847 OE1 GLU B 424 11.009 2.061 115.168 1.00 38.54 O

ATOM 2848 OE2 GLU B 424 12.593 2.157 113.647 1.00 37.44 O

ATOM 2849 N LYS B 425 8.796 7.357 115.803 1.00 37.27 N

ATOM 2850 CA LYS B 425 7.643 8.003 116.422 1.00 37.27 C

ATOM 2851 C LYS B 425 6.364 7.191 116.221 1.00 37.35 C

ATOM 2852 O LYS B 425 5.570 7.022 117.151 1.00 38.59 O

ATOM 2853 CB LYS B 425 7.461 9.421 115.871 1.00 36.58 C

ATOM 2854 N SER B 426 6.178 6.684 115.005 1.00 35.77 N

ATOM 2855 CA SER B 426 4.970 5.947 114.650 1.00 33.71 C

ATOM 2856 C SER B 426 4.914 4.569 115.309 1.00 32.15 C

ATOM 2857 O SER B 426 5.911 4.077 115.839 1.00 31.26 O

ATOM 2858 CB SER B 426 4.847 5.818 113.130 1.00 33.88 C

ATOM 2859 OG SER B 426 5.856 4.972 112.608 1.00 33.98 O

ATOM 2860 N LEU B 427 3.733 3.959 115.257 1.00 30.75 N

ATOM 2861 CA LEU B 427 3.457 2.691 115.928 1.00 29.35 C

ATOM 2862 C LEU B 427 4.258 1.518 115.367 1.00 28.30 C

ATOM 2863 O LEU B 427 4.657 1.526 114.200 1.00 28.79 O

ATOM 2864 CB LEU B 427 1.963 2.359 115.813 1.00 29.68 C

ATOM 2865 CG LEU B 427 0.935 3.362 116.338 1.00 29.66 C

ATOM 2866 CD1 LEU B 427 -0.476 2.865 116.072 1.00 29.52 C

ATOM 2867 CD2 LEU B 427 1.147 3.619 117.822 1.00 30.28 C

ATOM 2868 N PRO B 428 4.485 0.506 116.199 1.00 26.62 N

ATOM 2869 CA PRO B 428 4.952 -0.793 115.710 1.00 25.16 C

ATOM 2870 C PRO B 428 3.879 -1.412 114.825 1.00 23.93 C

ATOM 2871 O PRO B 428 2.760 -0.904 114.766 1.00 24.15 O

ATOM 2872 CB PRO B 428 5.110 -1.625 116.988 1.00 25.06 C

ATOM 2873 CG PRO B 428 5.134 -0.643 118.106 1.00 26.63 C

ATOM 2874 CD PRO B 428 4.322 0.532 117.663 1.00 27.25 C

ATOM 2875 N VAL B 429 4.215 -2.498 114.143 1.00 22.71 N

ATOM 2876 CA VAL B 429 3.264 -3.164 113.269 1.00 22.23 C

ATOM 2877 C VAL B 429 3.122 -4.630 113.651 1.00 22.02 C

ATOM 2878 O VAL B 429 4.100 -5.369 113.678 1.00 23.17 O

ATOM 2879 CB VAL B 429 3.688 -3.060 111.783 1.00 20.40 C

ATOM 2880 CG1 VAL B 429 2.741 -3.855 110.897 1.00 20.13 C

ATOM 2881 CG2 VAL B 429 3.738 -1.604 111.342 1.00 19.02 C

ATOM 2882 N CYS B 430 1.901 -5.041 113.962 1.00 22.21 N

ATOM 2883 CA CYS B 430 1.610 -6.450 114.182 1.00 21.43 C

ATOM 2884 C CYS B 430 1.229 -7.060 112.840 1.00 20.72 C

ATOM 2885 O CYS B 430 0.217 -6.687 112.260 1.00 21.05 O

ATOM 2886 CB CYS B 430 0.466 -6.595 115.180 1.00 22.14 C

ATOM 2887 SG CYS B 430 0.894 -6.009 116.838 1.00 23.70 S

ATOM 2888 N GLU B 431 2.056 -7.973 112.338 1.00 21.47 N

ATOM 2889 CA GLU B 431 1.831 -8.585 111.027 1.00 20.65 C

ATOM 2890 C GLU B 431 1.382 -10.033 111.162 1.00 22.61 C

ATOM 2891 O GLU B 431 2.018 -10.827 111.859 1.00 20.44 O

ATOM 2892 CB GLU B 431 3.104 -8.523 110.186 1.00 20.30 C

ATOM 2893 CG GLU B 431 3.018 -9.270 108.863 1.00 20.70 C

ATOM 2894 CD GLU B 431 4.235 -9.041 107.990 1.00 21.61 C

ATOM 2895 OE1 GLU B 431 4.553 -7.863 107.711 1.00 23.01 O

ATOM 2896 OE2 GLU B 431 4.878 -10.033 107.590 1.00 20.98 O

ATOM 2897 N PRO B 432 0.281 -10.372 110.494 1.00 25.78 N

ATOM 2898 CA PRO B 432 -0.287 -11.726 110.559 1.00 25.46 C

ATOM 2899 C PRO B 432 0.692 -12.806 110.114 1.00 25.79 C

ATOM 2900 O PRO B 432 1.370 -12.647 109.108 1.00 28.88 O

ATOM 2901 CB PRO B 432 -1.479 -11.659 109.590 1.00 26.27 C

ATOM 2902 CG PRO B 432 -1.830 -10.194 109.514 1.00 26.88 C

ATOM 2903 CD PR0 B 432 -0.517 -9.461 109.648 1.00 24.80 C

ATOM 2904 N VAL B 433 0.781 -13.894 110.870 1.00 24.57 N

ATOM 2905 CA VAL B 433 1.585 -15.026 110.435 1.00 25.36 C

ATOM 2906 C VAL B 433 0.911 -15.624 109.193 1.00 22.33 C

ATOM 2907 O VAL B 433 -0.322 -15.615 109.089 1.00 24.60 O

ATOM 2908 CB VAL B 433 1.744 -16.049 111.576 1.00 26.58 C

ATOM 2909 CG1 VAL B 433 2.601 -17.223 111.159 1.00 27.02 C

ATOM 2910 CG2 VAL B 433 2.379 -15.356 112.767 1.00 29.96 C

ATOM 2911 N CYS B 434 1.704 -16.103 108.241 1.00 12.25 N

ATOM 2912 CA CYS B 434 1.139 -16.577 106.980 1.00 10.07 C

ATOM 2913 C CYS B 434 1.544 -18.016 106.651 1.00 9.40 C

ATOM 2914 O CYS B 434 2.555 -18.515 107.143 1.00 8.72 O

ATOM 2915 CB CYS B 434 1.525 -15.629 105.834 1.00 7.87 C

ATOM 2916 SG CYS B 434 3.300 -15.570 105.472 1.00 8.54 S

ATOM 2917 N GLY B 435 0.741 -18.682 105.825 1.00 9.37 N

ATOM 2918 CA GLY B 435 1.151 -19.944 105.230 1.00 8.72 C

ATOM 2919 C GLY B 435 1.068 -21.177 106.119 1.00 10.37 C

ATOM 2920 O GLY B 435 1.637 -22.223 105.796 1.00 10.13 O

ATOM 2921 N LEU B 436 0.363 -21.055 107.238 1.00 10.28 N

ATOM 2922 CA LEU B 436 0.047 -22.208 108.071 1.00 12.33 C

ATOM 2923 C LEU B 436 -1.038 -23.056 107.418 1.00 11.48 C

ATOM 2924 O LEU B 436 -1.938 -22.527 106.768 1.00 11.43 O

ATOM 2925 CB LEU B 436 -0.422 -21.752 109.456 1.00 13.30 C

ATOM 2926 CG LEU B 436 0.595 -20.941 110.256 1.00 14.44 C

ATOM 2927 CD1 LEU B 436 -0.072 -20.347 111.493 1.00 16.02 C

ATOM 2928 CD2 LEU B 436 1.785 -21.814 110.628 1.00 14.82 C

ATOM 2929 N SER B 437 -0.947 -24.370 107.595 1.00 10.59 N

ATOM 2930 CA SER B 437 -1.931 -25.294 107.054 1.00 10.28 C

ATOM 2931 C SER B 437 -2.036 -26.550 107.904 1.00 13.03 C

ATOM 2932 O SER B 437 -1.038 -27.028 108.444 1.00 13.06 O

ATOM 2933 CB SER B 437 -1.563 -25.684 105.629 1.00 9.81 C

ATOM 2934 OG SER B 437 -2.514 -26.594 105.096 1.00 9.31 O

ATOM 2935 N ALA B 438 -3.247 -27.090 108.018 1.00 15.04 N

ATOM 2936 CA ALA B 438 -3.451 -28.338 108.743 1.00 16.58 C

ATOM 2937 C ALA B 438 -3.048 -29.519 107.879 1.00 19.86 C

ATOM 2938 O ALA B 438 -3.030 -30.652 108.344 1.00 21.62 O

ATOM 2939 CB ALA B 438 -4.899 -28.476 109.178 1.00 16.52 C

ATOM 2940 N ARG B 439 -2.735 -29.253 106.616 1.00 22.68 N

ATOM 2941 CA ARG B 439 -2.360 -30.315 105.695 1.00 26.51 C

ATOM 2942 C ARG B 439 -1.085 -31.013 106.136 1.00 31.02 C

ATOM 2943 O ARG B 439 0.022 -30.537 105.881 1.00 32.25 O

ATOM 2944 CB ARG B 439 -2.193 -29.774 104.281 1.00 23.41 C

ATOM 2945 CG ARG B 439 -3.471 -29.776 103.483 1.00 22.32 C

ATOM 2946 CD ARG B 439 -3.304 -29.235 102.078 1.00 20.14 C

ATOM 2947 NE ARG B 439 -2.935 -30.285 101.130 1.00 18.92 N

ATOM 2948 CZ ARG B 439 -2.387 -30.057 99.945 1.00 17.33 C

ATOM 2949 NH1 ARG B 439 -2.123 -28.812 99.561 1.00 17.51 N

ATOM 2950 NH2 ARG B 439 -2.094 -31.072 99.149 1.00 16.70 N

ATOM 2951 N THR B 440 -1.258 -32.142 106.811 1.00 37.08 N

ATOM 2952 CA THR B 440 -0.146 -32.988 107.212 1.00 42.27 C

ATOM 2953 C THR B 440 -0.175 -34.249 106.352 1.00 45.53 C

ATOM 2954 O THR B 440 -0.778 -35.259 106.718 1.00 46.09 O

ATOM 2955 CB THR B 440 -0.237 -33.325 108.714 1.00 42.90 C

ATOM 2956 OG1 THR B 440 0.578 -34.469 109.006 1.00 44.51 O

ATOM 2957 CG2 THR B 440 -1.649 -33.779 109.084 1.00 43.18 C

ATOM 2958 N THR B 441 0.466 -34.169 105.190 1.00 48.62 N

ATOM 2959 CA THR B 441 0.444 -35.254 104.217 1.00 50.97 C

ATOM 2960 C THR B 441 1.367 -36.394 104.636 1.00 51.68 C

ATOM 2961 O THR B 441 1.030 -37.185 105.521 1.00 51.44 O

ATOM 2962 CB THR B 441 0.832 -34.728 102.819 1.00 51.87 C

ATOM 2963 OG1 THR B 441 2.164 -34.199 102.860 1.00 52.42 O

ATOM 2964 CG2 THR B 441 -0.022 -33.524 102.453 1.00 52.33 C

ATOM 2965 N ILE B 445 -12.963 -27.695 91.043 1.00 4.56 N

ATOM 2966 CA ILE B 445 -11.814 -28.586 91.137 1.00 6.40 C

ATOM 2967 C ILE B 445 -12.155 -29.981 90.621 1.00 8.47 C

ATOM 2968 O ILE B 445 -13.043 -30.651 91.156 1.00 9.06 O

ATOM 2969 CB ILE B 445 -11.309 -28.673 92.593 1.00 6.68 C

ATOM 2970 CG1 ILE B 445 -10.829 -27.301 93.093 1.00 5.67 C

ATOM 2971 CG2 ILE B 445 -10.214 -29.717 92.701 1.00 6.13 C

ATOM 2972 CD1 ILE B 445 -9.656 -26.702 92.276 1.00 5.16 C

ATOM 2973 N TYR B 446 -11.429 -30.405 89.588 1.00 8.56 N

ATOM 2974 CA TYR B 446 -11.636 -31.685 88.922 1.00 9.63 C

ATOM 2975 C TYR B 446 -10.651 -32.737 89.444 1.00 10.43 C

ATOM 2976 O TYR B 446 -9.447 -32.497 89.501 1.00 8.52 O

ATOM 2977 CB TYR B 446 -11.440 -31.475 87.420 1.00 11.24 C

ATOM 2978 CG TYR B 446 -11.857 -32.612 86.505 1.00 13.20 C

ATOM 2979 CD1 TYR B 446 -12.904 -32.449 85.608 1.00 13.49 C

ATOM 2980 CD2 TYR B 446 -11.172 -33.825 86.501 1.00 13.13 C

ATOM 2981 CE1 TYR B 446 -13.276 -33.474 84.747 1.00 15.01 C

ATOM 2982 CE2 TYR B 446 -11.537 -34.850 85.651 1.00 13.34 C

ATOM 2983 CZ TYR B 446 -12.589 -34.668 84.774 1.00 14.96 C

ATOM 2984 OH TYR B 446 -12.958 -35.683 83.926 1.00 16.20 O

ATOM 2985 N GLY B 447 -11.171 -33.901 89.825 1.00 12.24 N

ATOM 2986 CA GLY B 447 -10.344 -35.004 90.282 1.00 11.23 C

ATOM 2987 C GLY B 447 -9.656 -34.779 91.620 1.00 12.49 C

ATOM 2988 O GLY B 447 -8.596 -35.337 91.874 1.00 12.68 O

ATOM 2989 N GLY B 448 -10.254 -33.964 92.479 1.00 12.82 N

ATOM 2990 CA GLY B 448 -9.657 -33.669 93.768 1.00 11.83 C

ATOM 2991 C GLY B 448 -10.362 -34.346 94.924 1.00 11.53 C

ATOM 2992 O GLY B 448 -11.014 -35.368 94.756 1.00 9.64 O

ATOM 2993 N GLN B 449 -10.234 -33.766 96.109 1.00 12.48 N

ATOM 2994 CA GLN B 449 -10.920 -34.293 97.274 1.00 14.40 C

ATOM 2995 C GLN B 449 -11.264 -33.160 98.222 1.00 12.23 C

ATOM 2996 O GLN B 449 -10.827 -32.027 98.023 1.00 11.44 O

ATOM 2997 CB GLN B 449 -10.060 -35.343 97.976 1.00 17.79 C

ATOM 2998 CG GLN B 449 -8.805 -34.777 98.593 1.00 22.07 C

ATOM 2999 CD GLN B 449 -7.798 -35.852 98.932 1.00 26.52 C

ATOM 3000 OE1 GLN B 449 -7.916 -36.513 99.968 1.00 28.75 O

ATOM 3001 NE2 GLN B 449 -6.800 -36.032 98.065 1.00 27.33 N

ATOM 3002 N LYS B 450 -12.038 -33.482 99.256 1.00 10.25 N

ATOM 3003 CA LYS B 450 -12.606 -32.482 100.149 1.00 9.89 C

ATOM 3004 C LYS B 450 -11.590 -31.942 101.134 1.00 9.05 C

ATOM 3005 O LYS B 450 -10.918 -32.703 101.819 1.00 9.70 O

ATOM 3006 CB LYS B 450 -13.820 -33.051 100.904 1.00 9.09 C

ATOM 3007 CG LYS B 450 -14.529 -32.023 101.784 1.00 9.50 C

ATOM 3008 CD LYS B 450 -15.963 -32.432 102.104 1.00 10.96 C

ATOM 3009 CE LYS B 450 -16.020 -33.390 103.283 1.00 11.73 C

ATOM 3010 NZ LYS B 450 -17.409 -33.591 103.787 1.00 12.22 N

ATOM 3011 N ALA B 451 -11.497 -30.618 101.207 1.00 9.25 N

ATOM 3012 CA ALA B 451 -10.615 -29.956 102.167 1.00 8.15 C

ATOM 3013 C ALA B 451 -11.147 -30.082 103.597 1.00 9.13 C

ATOM 3014 O ALA B 451 -12.358 -30.193 103.823 1.00 6.76 O

ATOM 3015 CB ALA B 451 -10.437 -28.490 101.796 1.00 6.38 C

ATOM 3016 N LYS B 452 -10.231 -30.069 104.558 1.00 11.01 N

ATOM 3017 CA LYS B 452 -10.595 -30.093 105.969 1.00 14.01 C

ATOM 3018 C LYS B 452 -10.416 -28.697 106.553 1.00 14.06 C

ATOM 3019 O LYS B 452 -9.740 -27.857 105.958 1.00 16.49 O

ATOM 3020 CB LYS B 452 -9.727 -31.099 106.728 1.00 15.62 C

ATOM 3021 CG LYS B 452 -10.111 -32.546 106.487 1.00 18.05 C

ATOM 3022 CD LYS B 452 -9.048 -33.495 107.019 1.00 21.06 C

ATOM 3023 CE LYS B 452 -9.662 -34.800 107.517 1.00 22.60 C

ATOM 3024 NZ LYS B 452 -9.159 -35.167 108.878 1.00 23.64 N

ATOM 3025 N PRO B 453 -11.030 -28.438 107.703 1.00 14.59 N

ATOM 3026 CA PRO B 453 -10.849 -27.155 108.385 1.00 13.54 C

ATOM 3027 C PRO B 453 -9.363 -26.901 108.615 1.00 12.28 C

ATOM 3028 O PRO B 453 -8.643 -27.812 109.033 1.00 11.41 O

ATOM 3029 CB PRO B 453 -11.575 -27.366 109.719 1.00 13.28 C

ATOM 3030 CG PRO B 453 -12.611 -28.403 109.414 1.00 14.34 C

ATOM 3031 CD PRO B 453 -11.949 -29.334 108.433 1.00 14.31 C

ATOM 3032 N GLY B 454 -8.909 -25.689 108.323 1.00 11.24 N

ATOM 3033 CA GLY B 454 -7.513 -25.338 108.508 1.00 10.76 C

ATOM 3034 C GLY B 454 -6.605 -25.719 107.352 1.00 11.23 C

ATOM 3035 O GLY B 454 -5.430 -25.339 107.340 1.00 11.07 O

ATOM 3036 N ASP B 455 -7.129 -26.463 106.378 1.00 9.80 N

ATOM 3037 CA ASP B 455 -6.313 -26.857 105.230 1.00 10.54 C

ATOM 3038 C ASP B 455 -5.921 -25.631 104.418 1.00 9.04 C

ATOM 3039 O ASP B 455 -4.739 -25.425 104.107 1.00 8.90 O

ATOM 3040 CB ASP B 455 -7.059 -27.842 104.331 1.00 12.73 C

ATOM 3041 CG ASP B 455 -6.928 -29.279 104.790 1.00 13.73 C

ATOM 3042 OD1 ASP B 455 -6.225 -29.542 105.788 1.00 12.94 O

ATOM 3043 OD2 ASP B 455 -7.505 -30.212 104.203 1.00 13.85 O

ATOM 3044 N PHE B 456 -6.925 -24.823 104.082 1.00 7.74 N

ATOM 3045 CA PHE B 456 -6.749 -23.632 103.251 1.00 7.59 C

ATOM 3046 C PHE B 456 -7.383 -22.413 103.922 1.00 9.10 C

ATOM 3047 O PHE B 456 -8.414 -21.916 103.470 1.00 9.71 O

ATOM 3048 CB PHE B 456 -7.387 -23.860 101.877 1.00 6.15 C

ATOM 3049 CG PHE B 456 -6.855 -25.067 101.161 1.00 7.20 C

ATOM 3050 CD1 PHE B 456 -7.495 -26.291 101.271 1.00 5.40 C

ATOM 3051 CD2 PHE B 456 -5.700 -24.986 100.400 1.00 6.07 C

ATOM 3052 CE1 PHE B 456 -7.006 -27.401 100.629 1.00 5.57 C

ATOM 3053 CE2 PHE B 456 -5.207 -26.093 99.745 1.00 6.22 C

ATOM 3054 CZ PHE B 456 -5.858 -27.305 99.861 1.00 6.67 C

ATOM 3055 N PRO B 457 -6.777 -21.941 105.008 1.00 9.90 N

ATOM 3056 CA PRO B 457 -7.406 -20.907 105.840 1.00 10.46 C

ATOM 3057 C PRO B 457 -7.424 -19.524 105.173 1.00 10.94 C

ATOM 3058 O PRO B 457 -8.132 -18.622 105.622 1.00 11.87 O

ATOM 3059 CB PRO B 4 57 -6.548 -20.908 107.109 1.00 9.17 C

ATOM 3060 CG PRO B 457 -5.212 -21.437 106.687 1.00 8.27 C

ATOM 3061 CD PRO B 457 -5.460 -22.361 105.527 1.00 10.57 C

ATOM 3062 N TRP B 458 -6.652 -19.369 104.105 1.00 9.22 N

ATOM 3063 CA TRP B 458 -6.644 -18.131 103.339 1.00 9.02 C

ATOM 3064 C TRP B 4 58 -7.762 -18.126 102.304 1.00 9.58 C

ATOM 3065 O TRP B 458 -8.013 -17.105 101.661 1.00 9.63 O

ATOM 3066 CB TRP B 458 -5.305 -17.966 102.625 1.00 6.43 C

ATOM 3067 CG TRP B 458 -4.917 -19.200 101.908 1.00 6.38 C

ATOM 3068 CD1 TRP B 458 -5.370 -19.624 100.686 1.00 5.30 C

ATOM 3069 CD2 TRP B 458 -4.024 -20.216 102.380 1.00 4.55 C

ATOM 3070 NE1 TRP B 458 -4.798 -20.833 100.368 1.00 5.66 N

ATOM 3071 CE2 TRP B 458 -3.968 -21.219 101.390 1.00 5.38 C

ATOM 3072 CE3 TRP B 458 -3.251 -20.372 103.536 1.00 4.11 C

ATOM 3073 CZ2 TRP B 458 -3.180 -22.358 101.525 1.00 5.64 C

ATOM 3074 CZ3 TRP B 458 -2.469 -21.501 103.671 1.00 4.33 C

ATOM 3075 CH2 TRP B 4 58 -2.440 -22.482 102.672 1.00 5.56 C

ATOM 3076 N GLN B 459 -8.424 -19.267 102.126 1.00 9.96 N

ATOM 3077 CA GLN B 459 -9.427 -19.386 101.068 1.00 10.74 C

ATOM 3078 C GLN B 459 -10.596 -18.428 101.294 1.00 11.46 C

ATOM 3079 O GLN B 459 -11.171 -18.359 102.389 1.00 10.08 O

ATOM 3080 CB GLN B 459 -9.921 -20.830 100.910 1.00 10.61 C

ATOM 3081 CG GLN B 459 -10.964 -21.006 99.804 1.00 9.65 C

ATOM 3082 CD GLN B 459 -10.338 -21.126 98.425 1.00 11.01 C

ATOM 3083 OE1 GLN B 459 -11.002 -20.894 97.412 1.00 12.59 O

ATOM 3084 NE2 GLN B 459 -9.064 -21.488 98.382 1.00 8.39 N

ATOM 3085 N VAL B 460 -10.934 -17.688 100.244 1.00 9.85 N

ATOM 3086 CA VAL B 460 -11.960 -16.661 100.332 1.00 10.97 C

ATOM 3087 C VAL B 460 -12.985 -16.879 99.226 1.00 10.69 C

ATOM 3088 O VAL B 460 -12.628 -17.200 98.082 1.00 10.37 O

ATOM 3089 CB VAL B 460 -11.333 -15.239 100.236 1.00 11.65 C

ATOM 3090 CG1 VAL B 460 -12.326 -14.234 99.695 1.00 11.76 C

ATOM 3091 CG2 VAL B 460 -10.802 -14.792 101.587 1.00 12.12 C

ATOM 3092 N LEU B 461 -14.258 -16.736 99.581 1.00 10.31 N

ATOM 3093 CA LEU B 461 -15.347 -16.805 98.616 1.00 10.23 C

ATOM 3094 C LEU B 461 -15.794 -15.390 98.214 1.00 12.11 C

ATOM 3095 O LEU B 461 -16.025 -14.532 99.070 1.00 9.96 O

ATOM 3096 CB LEU B 461 -16.525 -17.587 99.197 1.00 8.56 C

ATOM 3097 CG LEU B 461 -17.767 -17.690 98.311 1.00 9.40 C

ATOM 3098 CD1 LEU B 461 -17.552 -18.662 97.150 1.00 7.57 C

ATOM 3099 CD2 LEU B 461 -18.993 -18.078 99.135 1.00 9.19 C

ATOM 3100 N ILE B 462 -15.912 -15.161 96.909 1.00 12.14 N

ATOM 3101 CA ILE B 462 -16.321 -13.869 96.376 1.00 12.44 C

ATOM 3102 C ILE B 462 -17.613 -13.997 95.569 1.00 15.09 C

ATOM 3103 O ILE B 462 -17.658 -14.700 94.559 1.00 13.83 O

ATOM 3104 CB ILE B 462 -15.197 -13.269 95.507 1.00 10.52 C

ATOM 3105 CG1 ILE B 462 -13.906 -13.162 96.327 1.00 9.53 C

ATOM 3106 CG2 ILE B 462 -15.624 -11.911 94.948 1.00 9.85 C

ATOM 3107 CD1 ILE B 462 -12.716 -12.635 95.573 1.00 7.52 C

ATOM 3108 N LEU B 463 -18.659 -13.317 96.027 1.00 17.89 N

ATOM 3109 CA LEU B 463 -19.971 -13.390 95.396 1.00 23.90 C

ATOM 3110 C LEU B 463 -20.239 -12.159 94.534 1.00 27.33 C

ATOM 3111 O LEU B 463 -19.359 -11.327 94.342 1.00 29.34 O

ATOM 3112 CB LEU B 463 -21.064 -13.516 96.459 1.00 23.96 C

ATOM 3113 CG LEU B 463 -21.123 -14.790 97.298 1.00 24.72 C

ATOM 3114 CD1 LEU B 463 -22.533 -15.002 97.796 1.00 26.70 C

ATOM 3115 CD2 LEU B 463 -20.675 -15.992 96.502 1.00 26.69 C

ATOM 3116 N GLY B 464 -21.459 -12.045 94.020 1.00 31.44 N

ATOM 3117 CA GLY B 464 -21.849 -10.883 93.234 1.00 35.17 C

ATOM 3118 C GLY B 464 -21.908 -11.151 91.741 1.00 36.52 C

ATOM 3119 O GLY B 464 -22.863 -10.759 91.072 1.00 38.50 O

ATOM 3120 N GLY B 465 -20.876 -11.800 91.213 1.00 36.78 N

ATOM 3121 CA GLY B 465 -20.885 -12.249 89.832 1.00 36.60 C

ATOM 3122 C GLY B 465 -21.147 -13.738 89.847 1.00 36.37 C

ATOM 3123 O GLY B 465 -21.927 -14.218 90.669 1.00 37.27 O

ATOM 3124 N THR B 466 -20.497 -14.475 88.953 1.00 35.23 N

ATOM 3125 CA THR B 466 -20.528 -15.932 89.028 1.00 34.21 C

ATOM 3126 C THR B 466 -19.542 -16.372 90.109 1.00 32.31 C

ATOM 3127 O THR B 466 -18.640 -15.612 90.469 1.00 32.58 O

ATOM 3128 CB THR B 466 -20.174 -16.557 87.668 1.00 35.75 C

ATOM 3129 OG1 THR B 466 -18.968 -15.966 87.169 1.00 36.08 O

ATOM 3130 CG2 THR B 466 -21.222 -16.177 86.615 1.00 36.14 C

ATOM 3131 N THR B 467 -19.711 -17.583 90.633 1.00 28.05 N

ATOM 3132 CA THR B 467 -18.838 -18.071 91.701 1.00 24.61 C

ATOM 3133 C THR B 467 -17.361 -17.813 91.395 1.00 20.16 C

ATOM 3134 O THR B 467 -16.866 -18.159 90.325 1.00 19.33 O

ATOM 3135 CB THR B 467 -19.071 -19.577 91.960 1.00 25.61 C

ATOM 3136 OG1 THR B 467 -20.411 -19.782 92.430 1.00 26.85 O

ATOM 3137 CG2 THR B 467 -18.208 -20.062 93.126 1.00 25.45 C

ATOM 3138 N ALA B 468 -16.665 -17.193 92.339 1.00 15.93 N

ATOM 3139 CA ALA B 468 -15.233 -16.959 92.210 1.00 13.47 C

ATOM 3140 C ALA B 468 -14.602 -16.966 93.594 1.00 12.12 C

ATOM 3141 O ALA B 468 -15.308 -17.052 94.605 1.00 12.12 O

ATOM 3142 CB ALA B 468 -14.968 -15.636 91.499 1.00 11.44 C

ATOM 3143 N ALA B 469 -13.277 -16.875 93.647 1.00 11.53 N

ATOM 3144 CA ALA B 469 -12.567 -16.996 94.916 1.00 10.12 C

ATOM 3145 C ALA B 469 -11.369 -16.064 94.984 1.00 9.48 C

ATOM 3146 O ALA B 469 -11.025 -15.407 94.009 1.00 9.65 O

ATOM 3147 CB ALA B 469 -12.118 -18.442 95.139 1.00 8.34 C

ATOM 3148 N GLY B 470 -10.731 -16.027 96.146 1.00 7.75 N

ATOM 3149 CA GLY B 470 -9.499 -15.293 96.307 1.00 7.35 C

ATOM 3150 C GLY B 470 -8.683 -15.884 97.429 1.00 8.81 C

ATOM 3151 O GLY B 470 -9.030 -16.928 97.978 1.00 9.16 O

ATOM 3152 N ALA B 471 -7.597 -15.209 97.777 1.00 7.29 N

ATOM 3153 CA ALA B 471 -6.783 -15.618 98.908 1.00 7.06 C

ATOM 3154 C ALA B 471 -6.454 -14.416 99.793 1.00 5.48 C

ATOM 3155 O ALA B 471 -6.024 -13.368 99.303 1.00 5.99 O

ATOM 3156 CB ALA B 471 -5.511 -16.310 98.424 1.00 6.03 C

ATOM 3157 N LEU B 472 -6.666 -14.581 101.094 1.00 4.32 N

ATOM 3158 CA LEU B 472 -6.352 -13.554 102.079 1.00 4.16 C

ATOM 3159 C LEU B 472 -4.860 -13.222 102.123 1.00 5.66 C

ATOM 3160 O LEU B 472 -4.016 -14.113 102.172 1.00 5.37 O

ATOM 3161 CB LEU B 472 -6.818 -13.992 103.473 1.00 3.37 C

ATOM 3162 CG LEU B 472 -6.636 -12.960 104.595 1.00 4.40 C

ATOM 3163 CD1 LEU B 472 -7.508 -11.727 104.362 1.00 2.84 C

ATOM 3164 CD2 LEU B 472 -6.915 -13.553 105.978 1.00 2.96 C

ATOM 3165 N LEU B 473 -4.548 -11.931 102.099 1.00 6.13 N

ATOM 3166 CA LEU B 473 -3.199 -11.453 102.360 1.00 5.36 C

ATOM 3167 C LEU B 473 -3.258 -10.540 103.577 1.00 5.66 C

ATOM 3168 O LEU B 473 -4.187 -9.737 103.699 1.00 4.85 O

ATOM 3169 CB LEU B 473 -2.660 -10.667 101.160 1.00 6.39 C

ATOM 3170 CG LEU B 473 -2.356 -11.428 99.867 1.00 6.14 C

ATOM 3171 CD1 LEU B 473 -1.914 -10.452 98.788 1.00 4.23 C

ATOM 3172 CD2 LEU B 473 -1.287 -12.488 100.110 1.00 4.95 C

ATOM 3173 N TYR B 474 -2.266 -10.635 104.453 1.00 5.36 N

ATOM 3174 CA TYR B 474 -2.298 -9.843 105.680 1.00 5.07 C

ATOM 3175 C TYR B 474 -3.668 -10.091 106.307 1.00 5.83 C

ATOM 3176 O TYR B 474 -4.287 -11.116 106.042 1.00 8.66 O

ATOM 3177 CB TYR B 474 -2.048 -8.350 105.379 1.00 5.47 C

ATOM 3178 CG TYR B 474 -0.703 -8.131 104.716 1.00 6.93 C

ATOM 3179 CD1 TYR B 474 -0.579 -8.150 103.329 1.00 6.50 C

ATOM 3180 CD2 TYR B 474 0.452 -7.958 105.475 1.00 6.30 C

ATOM 3181 CE1 TYR B 474 0.650 -7.984 102.715 1.00 7.16 C

ATOM 3182 CE2 TYR B 474 1.702 -7.787 104.860 1.00 7.40 C

ATOM 3183 CZ TYR B 474 1.784 -7.802 103.477 1.00 7.92 C

ATOM 3184 OH TYR B 474 2.993 -7.642 102.839 1.00 9.35 O

ATOM 3185 N ASP B 475 -4.176 -9.205 107.181 1.00 6.67 N

ATOM 3186 CA ASP B 475 -5.540 -9.366 107.674 1.00 6.98 C

ATOM 3187 C ASP B 475 -6.534 -8.441 106.958 1.00 6.68 C

ATOM 3188 O ASP B 475 -7.635 -8.215 107.466 1.00 6.81 O

ATOM 3189 CB ASP B 475 -5.575 -9.054 109.170 1.00 6.29 C

ATOM 3190 CG ASP B 475 -4.877 -7.757 109.493 1.00 8.99 C

ATOM 3191 OD1 ASP B 475 -4.554 -7.015 108.532 1.00 10.02 O

ATOM 3192 OD2 ASP B 475 -4.596 -7.400 110.661 1.00 11.25 O

ATOM 3193 N ASN B 476 -6.236 -7.837 105.795 1.00 5.15 N

ATOM 3194 CA ASN B 476 -7.157 -6.860 105.210 1.00 6.12 C

ATOM 3195 C ASN B 476 -7.088 -6.731 103.689 1.00 6.65 C

ATOM 3196 O ASN B 476 -7.610 -5.770 103.108 1.00 5.28 O

ATOM 3197 CB ASN B 476 -7.007 -5.484 105.882 1.00 7.66 C

ATOM 3198 CG ASN B 476 -5.610 -4.901 105.722 1.00 8.96 C

ATOM 3199 OD1 ASN B 476 -4.645 -5.628 105.502 1.00 9.11 O

ATOM 3200 ND2 ASN B 476 -5.502 -3.581 105.828 1.00 9.47 N

ATOM 3201 N TRP B 477 -6.459 -7.706 103.045 1.00 6.18 N

ATOM 3202 CA TRP B 477 -6.378 -7.715 101.594 1.00 6.24 C

ATOM 3203 C TRP B 477 -6.793 -9.070 101.040 1.00 7.89 C

ATOM 3204 O TRP B 477 -6.665 -10.097 101.712 1.00 7.11 O

ATOM 3205 CB TRP B 477 -4.966 -7.373 101.125 1.00 4.74 C

ATOM 3206 CG TRP B 477 -4.590 -5.932 101.295 1.00 6.00 C

ATOM 3207 CD1 TRP B 477 -3.988 -5.369 102.381 1.00 5.20 C

ATOM 3208 CD2 TRP B 477 -4.775 -4.872 100.345 1.00 4.97 C

ATOM 3209 NE1 TRP B 477 -3.791 -4.026 102.168 1.00 6.82 N

ATOM 3210 CE2 TRP B 477 -4.266 -3.694 100.928 1.00 5.57 C

ATOM 3211 CE3 TRP B 477 -5.320 -4.799 99.058 1.00 6.55 C

ATOM 3212 CZ2 TRP B 477 -4.290 -2.460 100.277 1.00 6.30 C

ATOM 3213 CZ3 TRP B 477 -5.344 -3.572 98.407 1.00 6.96 C

ATOM 3214 CH2 TRP B 477 -4.827 -2.418 99.021 1.00 7.82 C

ATOM 3215 N VAL B 478 -7.293 -9.071 99.809 1.00 6.86 N

ATOM 3216 CA VAL B 478 -7.585 -10.320 99.128 1.00 5.75 C

ATOM 3217 C VAL B 478 -6.963 -10.321 97.741 1.00 7.06 C

ATOM 3218 O VAL B 478 -7.206 -9.411 96.946 1.00 9.06 O

ATOM 3219 CB VAL B 478 -9.107 -10.580 99.033 1.00 5.47 C

ATOM 3220 CG1 VAL B 478 -9.397 -11.723 98.064 1.00 3.63 C

ATOM 3221 CG2 VAL B 478 -9.681 -10.894 100.412 1.00 4.41 C

ATOM 3222 N LEU B 479 -6.147 -11.335 97.465 1.00 5.54 N

ATOM 3223 CA LEU B 479 -5.574 -11.529 96.132 1.00 7.45 C

ATOM 3224 C LEU B 479 -6.519 -12.384 95.291 1.00 6.84 C

ATOM 3225 O LEU B 479 -6.952 -13.448 95.737 1.00 6.78 O

ATOM 3226 CB LEU B 479 -4.209 -12.225 96.228 1.00 6.89 C

ATOM 3227 CG LEU B 479 -3.394 -12.398 94.935 1.00 8.25 C

ATOM 3228 CD1 LEU B 479 -3.005 -11.053 94.332 1.00 6.28 C

ATOM 3229 CD2 LEU B 479 -2.141 -13.248 95.184 1.00 5.91 C

ATOM 3230 N THR B 480 -6.835 -11.923 94.081 1.00 6.67 N

ATOM 3231 CA THR B 480 -7.710 -12.673 93.189 1.00 5.17 C

ATOM 3232 C THR B 480 -7.372 -12.440 91.717 1.00 7.64 C

ATOM 3233 O THR B 480 -6.378 -11.782 91.396 1.00 8.57 O

ATOM 3234 CB THR B 480 -9.190 -12.322 93.466 1.00 5.05 C

ATOM 3235 OG1 THR B 480 -10.035 -13.143 92.650 1.00 2.80 O

ATOM 3236 CG2 THR B 480 -9.513 -10.901 92.996 1.00 2.01 C

ATOM 3237 N ALA B 481 -8.203 -12.976 90.825 1.00 5.66 N

ATOM 3238 CA ALA B 481 -8.045 -12.732 89.393 1.00 7.09 C

ATOM 3239 C ALA B 481 -8.818 -11.477 88.977 1.00 8.81 C

ATOM 3240 O ALA B 481 -9.919 -11.227 89.470 1.00 9.57 O

ATOM 3241 CB ALA B 481 -8.530 -13.941 88.584 1.00 4.07 C

ATOM 3242 N ALA B 482 -8.250 -10.695 88.064 1.00 6.89 N

ATOM 3243 CA ALA B 482 -8.952 -9.539 87.520 1.00 6.41 C

ATOM 3244 C ALA B 482 -10.257 -9.946 86.851 1.00 7.61 C

ATOM 3245 O ALA B 482 -11.272 -9.274 87.023 1.00 7.81 O

ATOM 3246 CB ALA B 482 -8.074 -8.787 86.536 1.00 4.67 C

ATOM 3247 N HIS B 483 -10.232 -11.037 86.086 1.00 7.55 N

ATOM 3248 CA HIS B 483 -11.419 -11.461 85.341 1.00 7.90 C

ATOM 3249 C HIS B 483 -12.565 -11.809 86.283 1.00 8.69 C

ATOM 3250 O HIS B 483 -13.726 -11.658 85.923 1.00 10.91 O

ATOM 3251 CB HIS B 483 -11.118 -12.617 84.363 1.00 5.03 C

ATOM 3252 CG HIS B 483 -11.203 -13.978 84.980 1.00 7.24 C

ATOM 3253 ND1 HIS B 483 -10.103 -14.633 85.496 1.00 4.87 N

ATOM 3254 CD2 HIS B 483 -12.259 -14.805 85.176 1.00 8.18 C

ATOM 3255 CE1 HIS B 483 -10.478 -15.802 85.984 1.00 6.36 C

ATOM 3256 NE2 HIS B 483 -11.780 -15.934 85.797 1.00 8.74 N

ATOM 3257 N ALA B 484 -12.224 -12.254 87.490 1.00 7.75 N

ATOM 3258 CA ALA B 484 -13.218 -12.675 88.476 1.00 7.31 C

ATOM 3259 C ALA B 484 -13.998 -11.513 89.085 1.00 8.33 C

ATOM 3260 O ALA B 484 -15.135 -11.695 89.532 1.00 6.87 O

ATOM 3261 CB ALA B 484 -12.558 -13.504 89.589 1.00 7.35 C

ATOM 3262 N VAL B 485 -13.402 -10.323 89.105 1.00 7.80 N

ATOM 3263 CA VAL B 485 -14.041 -9.182 89.765 1.00 8.50 C

ATOM 3264 C VAL B 485 -14.216 -7.948 88.876 1.00 9.80 C

ATOM 3265 O VAL B 485 -14.745 -6.925 89.326 1.00 8.18 O

ATOM 3266 CB VAL B 485 -13.279 -8.763 91.044 1.00 7.56 C

ATOM 3267 CG1 VAL B 485 -13.263 -9.902 92.056 1.00 8.65 C

ATOM 3268 CG2 VAL B 485 -11.863 -8.326 90.708 1.00 6.45 C

ATOM 3269 N TYR B 486 -13.776 -8.044 87.624 1.00 9.72 N

ATOM 3270 CA TYR B 486 -13.799 -6.896 86.715 1.00 12.06 C

ATOM 3271 C TYR B 486 -15.186 -6.286 86.589 1.00 13.26 C

ATOM 3272 O TYR B 486 -15.353 -5.074 86.709 1.00 13.37 O

ATOM 3273 CB TYR B 486 -13.281 -7.290 85.323 1.00 12.44 C

ATOM 3274 CG TYR B 486 -13.072 -6.117 84.385 1.00 14.19 C

ATOM 3275 CD1 TYR B 486 -11.849 -5.458 84.326 1.00 14.63 C

ATOM 3276 CD2 TYR B 486 -14.093 -5.674 83.553 1.00 14.94 C

ATOM 3277 CE1 TYR B 486 -11.647 -4.393 83.468 1.00 15.81 C

ATOM 3278 CE2 TYR B 486 -13.903 -4.602 82.690 1.00 16.51 C

ATOM 3279 CZ TYR B 486 -12.675 -3.967 82.655 1.00 17.59 C

ATOM 3280 OH TYR B 486 -12.470 -2.902 81.805 1.00 20.57 O

ATOM 3281 N GLU B 487 -16.178 -7.132 86.336 1.00 16.46 N

ATOM 3282 CA GLU B 487 -17.538 -6.662 86.094 1.00 19.64 C

ATOM 3283 C GLU B 487 -18.138 -5.968 87.313 1.00 19.65 C

ATOM 3284 O GLU B 487 -18.782 -4.926 87.190 1.00 19.72 O

ATOM 3285 CB GLU B 487 -18.432 -7.818 85.654 1.00 21.15 C

ATOM 3286 CG GLU B 487 -19.746 -7.380 85.034 1.00 25.55 C

ATOM 3287 CD GLU B 487 -20.710 -8.537 84.842 1.00 28.52 C

ATOM 3288 OE1 GLU B 487 -20.245 -9.668 84.554 1.00 29.69 O

ATOM 3289 OE2 GLU B 487 -21.934 -8.312 84.978 1.00 30.42 O

ATOM 3290 N GLN B 488 -17.922 -6.549 88.486 1.00 20.07 N

ATOM 3291 CA GLN B 488 -18.461 -5.994 89.721 1.00 22.95 C

ATOM 3292 C GLN B 488 -17.814 -4.667 90.088 1.00 22.38 C

ATOM 3293 O GLN B 488 -18.487 -3.740 90.536 1.00 21.45 O

ATOM 3294 CB GLN B 488 -18.300 -6.988 90.869 1.00 25.33 C

ATOM 3295 CG GLN B 488 -19.524 -7.857 91.083 1.00 29.53 C

ATOM 3296 CD GLN B 488 -19.526 -8.524 92.438 1.00 32.58 C

ATOM 3297 OE1 GLN B 488 -20.164 -8.035 93.376 1.00 33.70 O

ATOM 3298 NE2 GLN B 488 -18.810 -9.639 92.551 1.00 33.41 N

ATOM 3299 N LYS B 489 -16.504 -4.578 89.900 1.00 22.35 N

ATOM 3300 CA LYS B 489 -15.789 -3.365 90.247 1.00 23.20 C

ATOM 3301 C LYS B 489 -16.270 -2.211 89.373 1.00 25.08 C

ATOM 3302 O LYS B 489 -16.508 -1.109 89.868 1.00 25.70 O

ATOM 3303 CB LYS B 489 -14.282 -3.569 90.103 1.00 21.81 C

ATOM 3304 CG LYS B 489 -13.632 -2.647 89.100 1.00 23.14 C

ATOM 3305 CD LYS B 489 -12.407 -1.993 89.678 1.00 23.18 C

ATOM 3306 CE LYS B 489 -12.614 -0.502 89.855 1.00 23.23 C

ATOM 3307 NZ LYS B 489 -11.331 0.234 89.756 1.00 21.46 N

ATOM 3308 N HIS B 490 -16.432 -2.477 88.078 1.00 26.39 N

ATOM 3309 CA HIS B 490 -16.833 -1.443 87.127 1.00 27.13 C

ATOM 3310 C HIS B 490 -18.344 -1.251 87.113 1.00 27.33 C

ATOM 3311 O HIS B 490 -18.887 -0.505 86.297 1.00 28.12 O

ATOM 3312 CB HIS B 490 -16.280 -1.733 85.727 1.00 27.11 C

ATOM 3313 CG HIS B 490 -14.815 -1.450 85.599 1.00 27.59 C

ATOM 3314 ND1 HIS B 490 -13.874 -2.445 85.444 1.00 27.90 N

ATOM 3315 CD2 HIS B 490 -14.127 -0.284 85.633 1.00 28.04 C

ATOM 3316 CE1 HIS B 490 -12.671 -1.903 85.379 1.00 27.76 C

ATOM 3317 NE2 HIS B 490 -12.797 -0.593 85.489 1.00 27.94 N

ATOM 3318 N ASP B 491 -19.012 -1.933 88.036 1.00 28.21 N

ATOM 3319 CA ASP B 491 -20.413 -1.670 88.317 1.00 27.98 C

ATOM 3320 C ASP B 491 -20.520 -0.890 89.621 1.00 26.53 C

ATOM 3321 O ASP B 491 -21.618 -0.643 90.124 1.00 26.12 O

ATOM 3322 CB ASP B 491 -21.202 -2.973 88.403 1.00 30.03 C

ATOM 3323 CG ASP B 491 -22.205 -3.109 87.282 1.00 32.36 C

ATOM 3324 OD1 ASP B 491 -21.851 -2.786 86.124 1.00 31.79 O

ATOM 3325 OD2 ASP B 491 -23.373 -3.512 87.467 1.00 34.67 O

ATOM 3326 N ALA B 492 -19.363 -0.509 90.156 1.00 23.88 N

ATOM 3327 CA ALA B 492 -19.286 0.246 91.401 1.00 23.42 C

ATOM 3328 C ALA B 492 -20.062 -0.445 92.522 1.00 24.16 C

ATOM 3329 O ALA B 492 -20.693 0.210 93.352 1.00 23.71 O

ATOM 3330 CB ALA B 492 -19.785 1.670 91.195 1.00 22.27 C

ATOM 3331 N SER B 493 -20.008 -1.774 92.530 1.00 23.69 N

ATOM 3332 CA SER B 493 -20.695 -2.571 93.536 1.00 24.78 C

ATOM 3333 C SER B 493 -19.675 -3.176 94.492 1.00 22.70 C

ATOM 3334 O SER B 493 -18.727 -3.819 94.055 1.00 22.28 O

ATOM 3335 CB SER B 493 -21.499 -3.690 92.862 1.00 26.34 C

ATOM 3336 OG SER B 493 -22.673 -3.186 92.247 1.00 28.63 O

ATOM 3337 N ALA B 494 -19.868 -2.966 95.791 1.00 22.04 N

ATOM 3338 CA ALA B 494 -18.985 -3.556 96.796 1.00 21.53 C

ATOM 3339 C ALA B 494 -19.090 -5.080 96.739 1.00 20.55 C

ATOM 3340 O ALA B 494 -20.181 -5.625 96.551 1.00 20.35 O

ATOM 3341 CB ALA B 494 -19.331 -3.042 98.190 1.00 20.13 C

ATOM 3342 N LEU B 495 -17.955 -5.763 96.884 1.00 19.57 N

ATOM 3343 CA LEU B 495 -17.927 -7.227 96.786 1.00 16.41 C

ATOM 3344 C LEU B 495 -18.290 -7.873 98.115 1.00 14.40 C

ATOM 3345 O LEU B 495 -17.784 -7.473 99.167 1.00 13.66 O

ATOM 3346 CB LEU B 495 -16.552 -7.729 96.329 1.00 16.41 C

ATOM 3347 CG LEU B 495 -15.937 -7.108 95.071 1.00 18.32 C

ATOM 3348 CD1 LEU B 495 -14.662 -7.824 94.670 1.00 18.98 C

ATOM 3349 CD2 LEU B 495 -16.920 -7.129 93.934 1.00 19.84 C

ATOM 3350 N ASP B 496 -19.178 -8.863 98.045 1.00 13.66 N

ATOM 3351 CA ASP B 496 -19.572 -9.689 99.178 1.00 13.14 C

ATOM 3352 C ASP B 496 -18.512 -10.767 99.367 1.00 13.26 C

ATOM 3353 O ASP B 496 -18.414 -11.705 98.578 1.00 14.13 O

ATOM 3354 CB ASP B 496 -20.938 -10.338 98.895 1.00 14.28 C

ATOM 3355 CG ASP B 496 -21.552 -11.003 100.124 1.00 14.61 C

ATOM 3356 OD1 ASP B 496 -20.799 -11.478 101.000 1.00 13.80 O

ATOM 3357 OD2 ASP B 496 -22.788 -11.107 100.292 1.00 14.86 O

ATOM 3358 N ILE B 497 -17.721 -10.629 100.421 1.00 11.22 N

ATOM 3359 CA ILE B 497 -16.567 -11.488 100.617 1.00 10.22 C

ATOM 3360 C ILE B 497 -16.747 -12.327 101.871 1.00 8.56 C

ATOM 3361 O ILE B 497 -17.067 -11.797 102.931 1.00 7.96 O

ATOM 3362 CB ILE B 497 -15.276 -10.623 100.676 1.00 10.91 C

ATOM 3363 CG1 ILE B 497 -14.955 -10.079 99.276 1.00 10.23 C

ATOM 3364 CG2 ILE B 497 -14.105 -11.422 101.240 1.00 10.09 C

ATOM 3365 CD1 ILE B 497 -13.961 -8.960 99.264 1.00 10.33 C

ATOM 3366 N ARG B 498 -16.559 -13.638 101.739 1.00 7.99 N

ATOM 3367 CA ARG B 498 -16.812 -14.566 102.835 1.00 8.37 C

ATOM 3368 C ARG B 498 -15.633 -15.493 103.058 1.00 10.08 C

ATOM 3369 O ARG B 498 -15.080 -16.057 102.106 1.00 10.93 O

ATOM 3370 CB ARG B 498 -18.072 -15.391 102.553 1.00 7.71 C

ATOM 3371 CG ARG B 498 -19.251 -14.551 102.085 1.00 8.65 C

ATOM 3372 CD ARG B 498 -20.545 -15.312 101.855 1.00 7.87 C

ATOM 3373 NE ARG B 498 -21.609 -14.387 101.473 1.00 9.66 N

ATOM 3374 CZ ARG B 498 -22.857 -14.742 101.171 1.00 11.39 C

ATOM 3375 NH1 ARG B 498 -23.223 -16.013 101.200 1.00 12.07 N

ATOM 3376 NH2 ARG B 498 -23.744 -13.817 100.834 1.00 9.81 N

ATOM 3377 N MET B 499 -15.247 -15.658 104.317 1.00 10.63 N

ATOM 3378 CA MET B 499 -14.186 -16.601 104.642 1.00 11.39 C

ATOM 3379 C MET B 499 -14.502 -17.390 105.901 1.00 9.78 C

ATOM 3380 O MET B 499 -15.555 -17.206 106.513 1.00 7.65 O

ATOM 3381 CB MET B 499 -12.834 -15.892 104.769 1.00 14.87 C

ATOM 3382 CG MET B 499 -12.885 -14.547 105.440 1.00 17.75 C

ATOM 3383 SD MET B 499 -11.429 -13.559 105.025 1.00 22.11 S

ATOM 3384 CE MET B 499 -12.188 -12.043 104.686 1.00 20.04 C

ATOM 3385 N GLY B 500 -13.587 -18.281 106.268 1.00 8.67 N

ATOM 3386 CA GLY B 500 -13.745 -19.104 107.455 1.00 10.10 C

ATOM 3387 C GLY B 500 -14.787 -20.199 107.323 1.00 11.36 C

ATOM 3388 O GLY B 500 -15.181 -20.80I 108.328 1.00 12.91 O

ATOM 3389 N THR B 501 -15.240 -20.450 106.096 1.00 10.54 N

ATOM 3390 CA THR B 501 -16.212 -21.510 105.836 1.00 11.91 C

ATOM 3391 C THR B 501 -15.789 -22.454 104.702 1.00 11.14 C

ATOM 3392 O THR B 501 -15.176 -22.037 103.715 1.00 11.29 O

ATOM 3393 CB THR B 501 -17.615 -20.928 105.554 1.00 13.13 C

ATOM 3394 OG1 THR B 501 -18.539 -22.003 105.322 1.00 13.03 O

ATOM 3395 CG2 THR B 501 -17.628 -20.150 104.231 1.00 13.59 C

ATOM 3396 N LEU B 502 -16.110 -23.734 104.863 1.00 12.01 N

ATOM 3397 CA LEU B 502 -15.822 -24.741 103.845 1.00 10.93 C

ATOM 3398 C LEU B 502 -17.005 -24.893 102.899 1.00 10.79 C

ATOM 3399 O LEU B 502 -16.847 -25.289 101.749 1.00 10.32 O

ATOM 3400 CB LEU B 502 -15.525 -26.094 104.498 1.00 10.77 C

ATOM 3401 CG LEU B 502 -14.243 -26.265 105.321 1.00 12.31 C

ATOM 3402 CD1 LEU B 502 -14.232 -27.631 106.000 1.00 11.49 C

ATOM 3403 CD2 LEU B 502 -13.012 -26.100 104.448 1.00 10.49 C

ATOM 3404 N LYS B 503 -18.196 -24.597 103.407 1.00 11.98 N

ATOM 3405 CA LYS B 503 -19.423 -24.726 102.633 1.00 12.20 C

ATOM 3406 C LYS B 503 -19.792 -23.406 101.978 1.00 11.70 C

ATOM 3407 O LYS B 503 -20.020 -22.402 102.651 1.00 11.97 O

ATOM 3408 CB LYS B 503 -20.569 -25.224 103.507 1.00 13.79 C

ATOM 3409 CG LYS B 503 -20.271 -26.533 104.197 1.00 17.94 C

ATOM 3410 CD LYS B 503 -21.528 -27.127 104.812 1.00 21.30 C

ATOM 3411 CE LYS B 503 -21.317 -28.594 105.163 1.00 23.74 C

ATOM 3412 NZ LYS B 503 -22.014 -28.957 106.429 1.00 27.06 N

ATOM 3413 N ARG B 504 -19.846 -23.440 100.653 1.00 9.56 N

ATOM 3414 CA ARG B 504 -20.100 -22.281 99.811 1.00 9.30 C

ATOM 3415 C ARG B 504 -21.428 -21.581 100.141 1.00 9.58 C

ATOM 3416 O ARG B 504 -21.502 -20.344 100.166 1.00 8.87 O

ATOM 3417 CB ARG B 504 -20.075 -22.758 98.358 1.00 10.17 C

ATOM 3418 CG ARG B 504 -20.542 -21.782 97.322 1.00 11.45 C

ATOM 3419 CD ARG B 504 -20.195 -22.220 95.897 1.00 12.28 C

ATOM 3420 NE ARG B 504 -20.805 -23.498 95.534 1.00 11.04 N

ATOM 3421 CZ ARG B 504 -22.025 -23.622 95.017 1.00 11.86 C

ATOM 3422 NH1 ARG B 504 -22.768 -22.543 94.814 1.00 12.72 N

ATOM 3423 NH2 ARG B 504 -22.508 -24.818 94.702 1.00 9.20 N

ATOM 3424 N LEU B 505 -22.462 -22.377 100.413 1.00 8.82 N

ATOM 3425 CA LEU B 505 -23.824 -21.869 100.568 1.00 9.85 C

ATOM 3426 C LEU B 505 -24.264 -21.794 102.028 1.00 9.34 C

ATOM 3427 O LEU B 505 -25.449 -21.675 102.306 1.00 6.78 O

ATOM 3428 CB LEU B 505 -24.819 -22.748 99.790 1.00 8.66 C

ATOM 3429 CG LEU B 505 -24.576 -22.987 98.298 1.00 8.74 C

ATOM 3430 CD1 LEU B 505 -25.371 -24.190 97.795 1.00 7.20 C

ATOM 3431 CD2 LEU B 505 -24.911 -21.746 97.484 1.00 9.58 C

ATOM 3432 N SER B 506 -23.312 -21.885 102.952 1.00 10.95 N

ATOM 3433 CA SER B 506 -23.624 -21.847 104.377 1.00 10.74 C

ATOM 3434 C SER B 506 -23.974 -20.432 104.816 1.00 10.19 C

ATOM 3435 O SER B 506 -23.418 -19.464 104.297 1.00 9.70 O

ATOM 3436 CB SER B 506 -22.431 -22.343 105.194 1.00 11.42 C

ATOM 3437 OG SER B 506 -22.715 -22.301 106.580 1.00 10.79 O

ATOM 3438 N PRO B 507 -24.901 -20.316 105.765 1.00 9.81 N

ATOM 3439 CA PRO B 507 -25.206 -19.029 106.403 1.00 10.15 C

ATOM 3440 C PRO B 507 -24.160 -18.632 107.439 1.00 11.94 C

ATOM 3441 O PRO B 507 -24.188 -17.505 107.927 1.00 13.00 O

ATOM 3442 CB PRO B 507 -26.552 -19.291 107.093 1.00 9.98 C

ATOM 3443 CG PRO B 507 -26.583 -20.769 107.345 1.00 8.46 C

ATOM 3444 CD PRO B 507 -25.750 -21.411 106.274 1.00 9.54 C

ATOM 3445 N HIS B 508 -23.253 -19.546 107.770 1.00 13.06 N

ATOM 3446 CA HIS B 508 -22.238 -19.295 108.791 1.00 13.38 C

ATOM 3447 C HIS B 508 -20.863 -19.071 108.183 1.00 12.75 C

ATOM 3448 O HIS B 508 -20.251 -19.993 107.649 1.00 14.03 O

ATOM 3449 CB HIS B 508 -22.180 -20.454 109.783 1.00 15.66 C

ATOM 3450 CG HIS B 508 -23.518 -20.850 110.317 1.00 17.55 C

ATOM 3451 ND1 HIS B 508 -24.347 -19.965 110.976 1.00 18.81 N

ATOM 3452 CD2 HIS B 508 -24.182 -22.030 110.278 1.00 18.01 C

ATOM 3453 CE1 HIS B 508 -25.460 -20.586 111.325 1.00 18.58 C

ATOM 3454 NE2 HIS B 508 -25.385 -21.840 110.914 1.00 18.32 N

ATOM 3455 N TYR B 509 -20.384 -17.838 108.281 1.00 11.13 N

ATOM 3456 CA TYR B 509 -19.099 -17.460 107.722 1.00 10.86 C

ATOM 3457 C TYR B 509 -18.684 -16.122 108.303 1.00 11.68 C

ATOM 3458 O TYR B 509 -19.485 -15.438 108.939 1.00 11.33 O

ATOM 3459 CB TYR B 509 -19.194 -17.342 106.200 1.00 9.92 C

ATOM 3460 CG TYR B 509 -20.326 -16.457 105.724 1.00 9.80 C

ATOM 3461 CD1 TYR B 509 -20.143 -15.084 105.554 1.00 10.50 C

ATOM 3462 CD2 TYR B 509 -21.581 -16.990 105.451 1.00 9.35 C

ATOM 3463 CE1 TYR B 509 -21.184 -14.269 105.127 1.00 9.15 C

ATOM 3464 CE2 TYR B 509 -22.621 -16.187 105.020 1.00 10.62 C

ATOM 3465 CZ TYR B 509 -22.417 -14.831 104.861 1.00 10.89 C

ATOM 3466 OH TYR B 509 -23.452 -14.040 104.423 1.00 12.60 O

ATOM 3467 N THR B 510 -17.430 -15.754 108.082 1.00 11.91 N

ATOM 3468 CA THR B 510 -16.951 -14.423 108.418 1.00 12.36 C

ATOM 3469 C THR B 510 -17.170 -13.484 107.237 1.00 12.78 C

ATOM 3470 O THR B 510 -16.695 -13.734 106.134 1.00 13.53 O

ATOM 3471 CB THR B 510 -15.471 -14.473 108.804 1.00 12.58 C

ATOM 3472 OG1 THR B 510 -15.327 -15.253 109.999 1.00 13.32 O

ATOM 3473 CG2 THR B 510 -14.975 -13.085 109.213 1.00 11.67 C

ATOM 3474 N GLN B 511 -17.903 -12.405 107.488 1.00 13.62 N

ATOM 3475 CA GLN B 511 -18.252 -11.432 106.464 1.00 13.14 C

ATOM 3476 C GLN B 511 -17.203 -10.329 106.366 1.00 12.15 C

ATOM 3477 O GLN B 511 -16.784 -9.768 107.378 1.00 10.89 O

ATOM 3478 CB GLN B 511 -19.620 -10.816 106.780 1.00 14.27 C

ATOM 3479 CG GLN B 511 -20.082 -9.773 105.784 1.00 16.91 C

ATOM 3480 CD GLN B 511 -20.605 -10.393 104.505 1.00 18.10 C

ATOM 3481 OE1 GLN B 511 -21.595 -11.123 104.525 1.00 19.95 O

ATOM 3482 NE2 GLN B 511 -19.940 -10.109 103.394 1.00 18.93 N

ATOM 3483 N ALA B 512 -16.783 -10.042 105.137 1.00 10.77 N

ATOM 3484 CA ALA B 512 -15.937 -8.898 104.831 1.00 10.75 C

ATOM 3485 C ALA B 512 -16.534 -8.174 103.625 1.00 11.66 C

ATOM 3486 O ALA B 512 -17.327 -8.745 102.869 1.00 11.82 O

ATOM 3487 CB ALA B 512 -14.499 -9.343 104.540 1.00 8.48 C

ATOM 3488 N TRP B 513 -16.159 -6.912 103.454 1.00 12.58 N

ATOM 3489 CA TRP B 513 -16.674 -6.097 102.364 1.00 12.59 C

ATOM 3490 C TRP B 513 -15.527 -5.346 101.722 1.00 12.24 C

ATOM 3491 O TRP B 513 -14.626 -4.870 102.411 1.00 10.92 O

ATOM 3492 CB TRP B 513 -17.715 -5.105 102.886 1.00 14.91 C

ATOM 3493 CG TRP B 513 -18.989 -5.753 103.360 1.00 16.65 C

ATOM 3494 CD1 TRP B 513 -19.367 -5.974 104.654 1.00 17.19 C

ATOM 3495 CD2 TRP B 513 -20.049 -6.261 102.543 1.00 18.20 C

ATOM 3496 NE1 TRP B 513 -20.595 -6.590 104.691 1.00 18.69 N

ATOM 3497 CE2 TRP B 513 -21.037 -6.779 103.407 1.00 18.70 C

ATOM 3498 CE3 TRP B 513 -20.266 -6.333 101.159 1.00 19.68 C

ATOM 3499 CZ2 TRP B 513 -22.219 -7.357 102.938 1.00 18.92 C

ATOM 3500 CZ3 TRP B 513 -21.443 -6.906 100.693 1.00 19.85 C

ATOM 3501 CH2 TRP B 513 -22.404 -7.411 101.581 1.00 19.28 C

ATOM 3502 N SER B 514 -15.552 -5.241 100.400 1.00 12.88 N

ATOM 3503 CA SER B 514 -14.492 -4.533 99.703 1.00 13.15 C

ATOM 3504 C SER B 514 -14.623 -3.037 99.917 1.00 13.97 C

ATOM 3505 O SER B 514 -15.723 -2.495 99.919 1.00 12.10 O

ATOM 3506 CB SER B 514 -14.489 -4.863 98.213 1.00 13.82 C

ATOM 3507 OG SER B 514 -15.423 -4.072 97.505 1.00 16.00 O

ATOM 3508 N GLU B 515 -13.482 -2.384 100.112 1.00 14.54 N

ATOM 3509 CA GLU B 515 -13.410 -0.936 100.183 1.00 15.26 C

ATOM 3510 C GLU B 515 -12.863 -0.399 98.862 1.00 13.54 C

ATOM 3511 O GLU B 515 -13.226 0.689 98.419 1.00 13.78 O

ATOM 3512 CB GLU B 515 -12.509 -0.521 101.343 1.00 17.06 C

ATOM 3513 CG GLU B 515 -12.171 0.960 101.392 1.00 20.43 C

ATOM 3514 CD GLU B 515 -11.158 1.274 102.474 1.00 21.74 C

ATOM 3515 OE1 GLU B 515 -10.403 2.254 102.316 1.00 22.85 O

ATOM 3516 OE2 GLU B 515 -11.115 0.533 103.483 1.00 23.25 O

ATOM 3517 N ALA B 516 -11.989 -1.176 98.232 1.00 12.04 N

ATOM 3518 CA ALA B 516 -11.428 -0.804 96.940 1.00 10.63 C

ATOM 3519 C ALA B 516 -10.967 -2.040 96.189 1.00 9.94 C

ATOM 3520 O ALA B 516 -10.525 -3.017 96.790 1.00 10.06 O

ATOM 3521 CB ALA B 516 -10.271 0.170 97.116 1.00 9.33 C

ATOM 3522 N VAL B 517 -11.072 -1.989 94.870 1.00 9.04 N

ATOM 3523 CA VAL B 517 -10.622 -3.073 94.026 1.00 8.77 C

ATOM 3524 C VAL B 517 -9.607 -2.520 93.035 1.00 8.87 C

ATOM 3525 O VAL B 517 -9.904 -1.578 92.301 1.00 8.91 O

ATOM 3526 CB VAL B 517 -11.791 -3.702 93.241 1.00 9.89 C

ATOM 3527 CG1 VAL B 517 -11.282 -4.800 92.333 1.00 10.30 C

ATOM 3528 CG2 VAL B 517 -12.837 -4.251 94.186 1.00 10.68 C

ATOM 3529 N PHE B 518 -8.412 -3.103 93.022 1.00 8.01 N

ATOM 3530 CA PHE B 518 -7.376 -2.698 92.084 1.00 6.79 C

ATOM 3531 C PHE B 518 -7.187 -3.752 91.005 1.00 7.20 C

ATOM 3532 O PHE B 518 -6.790 -4.873 91.290 1.00 7.70 O

ATOM 3533 CB PHE B 518 -6.064 -2.447 92.820 1.00 8.63 C

ATOM 3534 CG PHE B 518 -6.174 -1.408 93.893 1.00 8.84 C

ATOM 3535 CD1 PHE B 518 -6.634 -1.746 95.158 1.00 7.13 C

ATOM 3536 CD2 PHE B 518 -5.831 -0.086 93.635 1.00 8.81 C

ATOM 3537 CE1 PHE B 518 -6.744 -0.789 96.153 1.00 7.91 C

ATOM 3538 CE2 PHE B 518 -5.939 0.878 94.627 1.00 10.06 C

ATOM 3539 CZ PHE B 518 -6.401 0.525 95.887 1.00 8.76 C

ATOM 3540 N ILE B 519 -7.491 -3.384 89.765 1.00 9.05 N

ATOM 3541 CA ILE B 519 -7.303 -4.278 88.639 1.00 9.65 C

ATOM 3542 C ILE B 519 -5.989 -3.920 87.971 1.00 8.06 C

ATOM 3543 O ILE B 519 -5.753 -2.750 87.703 1.00 8.70 O

ATOM 3544 CB ILE B 519 -8.481 -4.132 87.644 1.00 10.86 C

ATOM 3545 CG1 ILE B 519 -9.749 -4.757 88.233 1.00 12.61 C

ATOM 3546 CG2 ILE B 519 -8.141 -4.765 86.291 1.00 6.68 C

ATOM 3547 CD1 ILE B 519 -10.981 -4.489 87.413 1.00 15.46 C

ATOM 3548 N HIS B 520 -5.131 -4.909 87.706 1.00 7.03 N

ATOM 3549 CA HIS B 520 -3.850 -4.611 87.065 1.00 6.19 C

ATOM 3550 C HIS B 520 -4.112 -3.801 85.810 1.00 6.72 C

ATOM 3551 O HIS B 520 -5.011 -4.128 85.031 1.00 3.46 O

ATOM 3552 CB HIS B 520 -3.057 -5.877 86.717 1.00 6.30 C

ATOM 3553 CG HIS B 520 -1.630 -5.601 86.350 1.00 6.46 C

ATOM 3554 ND1 HIS B 520 -1.260 -5.128 85.109 1.00 7.22 N

ATOM 3555 CD2 HIS B 520 -0.488 -5.692 87.073 1.00 5.75 C

ATOM 3556 CE1 HIS B 520 0.049 -4.952 85.078 1.00 6.36 C

ATOM 3557 NE2 HIS B 520 0.541 -5.293 86.256 1.00 7.58 N

ATOM 3558 N GLU B 521 -3.339 -2.740 85.612 1.00 6.31 N

ATOM 3559 CA GLU B 521 -3.639 -1.834 84.508 1.00 9.78 C

ATOM 3560 C GLU B 521 -3.223 -2.386 83.138 1.00 9.03 C

ATOM 3561 O GLU B 521 -3.520 -1.785 82.109 1.00 10.96 O

ATOM 3562 CB GLU B 521 -3.122 -0.406 84.758 1.00 10.66 C

ATOM 3563 CG GLU B 521 -1.882 -0.270 85.622 1.00 14.77 C

ATOM 3564 CD GLU B 521 -2.094 -0.655 87.083 1.00 15.13 C

ATOM 3565 OE1 GLU B 521 -2.961 -0.069 87.773 1.00 15.25 O

ATOM 3566 OE2 GLU B 521 -1.365 -1.548 87.544 1.00 14.72 O

ATOM 3567 N GLY B 522 -2.567 -3.543 83.130 1.00 9.28 N

ATOM 3568 CA GLY B 522 -2.206 -4.205 81.886 1.00 8.31 C

ATOM 3569 C GLY B 522 -3.221 -5.254 81.456 1.00 8.56 C

ATOM 3570 O GLY B 522 -3.086 -5.861 80.389 1.00 9.19 O

ATOM 3571 N TYR B 523 -4.229 -5.477 82.292 1.00 7.48 N

ATOM 3572 CA TYR B 523 -5.312 -6.415 81.988 1.00 7.08 C

ATOM 3573 C TYR B 523 -6.322 -5.789 81.029 1.00 7.55 C

ATOM 3574 O TYR B 523 -6.696 -4.632 81.187 1.00 6.76 O

ATOM 3575 CB TYR B 523 -6.019 -6.842 83.282 1.00 5.19 C

ATOM 3576 CG TYR B 523 -7.187 -7.783 83.079 1.00 4.26 C

ATOM 3577 CD1 TYR B 523 -6.982 -9.129 82.776 1.00 3.17 C

ATOM 3578 CD2 TYR B 523 -8.493 -7.334 83.208 1.00 3.40 C

ATOM 3579 CE1 TYR B 523 -8.051 -9.990 82.593 1.00 2.34 C

ATOM 3580 CE2 TYR B 523 -9.564 -8.194 83.028 1.00 3.17 C

ATOM 3581 CZ TYR B 523 -9.334 -9.517 82.724 1.00 2.12 C

ATOM 3582 OH TYR B 523 -10.405 -10.366 82.532 1.00 4.83 O

ATOM 3583 N THR B 524 -6.756 -6.557 80.034 1.00 7.28 N

ATOM 3584 CA THR B 524 -7.804 -6.113 79.117 1.00 9.44 C

ATOM 3585 C THR B 524 -8.924 -7.148 79.087 1.00 10.57 C

ATOM 3586 O THR B 524 -8.795 -8.189 78.432 1.00 10.27 O

ATOM 3587 CB THR B 524 -7.253 -5.901 77.687 1.00 10.30 C

ATOM 3588 OG1 THR B 524 -6.602 -7.098 77.243 1.00 13.58 O

ATOM 3589 CG2 THR B 524 -6.137 -4.875 77.668 1.00 8.16 C

ATOM 3590 N HIS B 525 -10.018 -6.853 79.789 1.00 9.06 N

ATOM 3591 CA HIS B 525 -11.145 -7.777 79.914 1.00 8.42 C

ATOM 3592 C HIS B 525 -11.662 -8.319 78.586 1.00 8.44 C

ATOM 3593 O HIS B 525 -11.940 -7.554 77.663 1.00 6.50 O

ATOM 3594 CB HIS B 525 -12.299 -7.124 80.683 1.00 7.68 C

ATOM 3595 CG HIS B 525 -13.206 -8.111 81.349 1.00 8.01 C

ATOM 3596 ND1 HIS B 525 -12.742 -9.082 82.210 1.00 9.01 N

ATOM 3597 CD2 HIS B 525 -14.546 -8.288 81.270 1.00 6.33 C

ATOM 3598 CE1 HIS B 525 -13.757 -9.813 82.636 1.00 7.13 C

ATOM 3599 NE2 HIS B 525 -14.862 -9.352 82.079 1.00 6.62 N

ATOM 3600 N ASP B 526 -11.793 -9.645 78.511 1.00 8.02 N

ATOM 3601 CA ASP B 526 -12.369 -10.322 77.349 1.00 8.48 C

ATOM 3602 C ASP B 526 -11.420 -10.332 76.161 1.00 8.01 C

ATOM 3603 O ASP B 526 -11.820 -10.666 75.045 1.00 8.80 O

ATOM 3604 CB ASP B 526 -13.708 -9.694 76.928 1.00 7.36 C

ATOM 3605 CG ASP B 526 -14.849 -10.033 77.878 1.00 8.37 C

ATOM 3606 OD1 ASP B 526 -14.670 -10.880 78.782 1.00 7.27 O

ATOM 3607 OD2 ASP B 526 -15.972 -9.492 77.798 1.00 11.16 O

ATOM 3608 N ALA B 527 -10.168 -9.954 76.406 1.00 8.29 N

ATOM 3609 CA ALA B 527 -9.139 -9.950 75.363 1.00 6.98 C

ATOM 3610 C ALA B 527 -7.851 -10.594 75.881 1.00 6.93 C

ATOM 3611 O ALA B 527 -6.821 -9.933 76.039 1.00 7.99 O

ATOM 3612 CB ALA B 527 -8.884 -8.522 74.843 1.00 3.95 C

ATOM 3613 N GLY B 528 -7.915 -11.897 76.139 1.00 8.12 N

ATOM 3614 CA GLY B 528 -6.778 -12.613 76.686 1.00 6.07 C

ATOM 3615 C GLY B 528 -6.702 -12.385 78.184 1.00 7.11 C

ATOM 3616 O GLY B 528 -7.402 -11.521 78.720 1.00 5.41 O

ATOM 3617 N PHE B 529 -5.844 -13.150 78.852 1.00 6.33 N

ATOM 3618 CA PHE B 529 -5.755 -13.129 80.312 1.00 5.54 C

ATOM 3619 C PHE B 529 -4.390 -12.671 80.816 1.00 6.08 C

ATOM 3620 O PHE B 529 -4.023 -12.941 81.958 1.00 7.09 O

ATOM 3621 CB PHE B 529 -6.094 -14.508 80.889 1.00 5.60 C

ATOM 3622 CG PHE B 529 -7.543 -14.895 80.735 1.00 4.33 C

ATOM 3623 CD1 PHE B 529 -7.989 -15.506 79.576 1.00 4.93 C

ATOM 3624 CD2 PHE B 529 -8.454 -14.649 81.751 1.00 4.76 C

ATOM 3625 CE1 PHE B 529 -9.322 -15.862 79.428 1.00 5.11 C

ATOM 3626 CE2 PHE B 529 -9.791 -15.001 81.620 1.00 4.69 C

ATOM 3627 CZ PHE B 529 -10.228 -15.610 80.457 1.00 5.12 C

ATOM 3628 N ASP B 530 -3.633 -11.989 79.962 1.00 7.41 N

ATOM 3629 CA ASP B 530 -2.352 -11.427 80.374 1.00 5.37 C

ATOM 3630 C ASP B 530 -2.617 -10.413 81.478 1.00 5.79 C

ATOM 3631 O ASP B 530 -3.547 -9.618 81.386 1.00 3.36 O

ATOM 3632 CB ASP B 530 -1.657 -10.755 79.187 1.00 3.63 C

ATOM 3633 CG ASP B 530 -0.168 -10.509 79.429 1.00 6.21 C

ATOM 3634 OD1 ASP B 530 0.476 -11.273 80.182 1.00 5.94 O

ATOM 3635 0D2 ASP B 530 0.448 -9.568 78.895 1.00 8.14 O

ATOM 3636 N ASN B 531 -1.803 -10.449 82.528 1.00 6.81 N

ATOM 3637 CA ASN B 531 -1.979 -9.540 83.658 1.00 6.82 C

ATOM 3638 C ASN B 531 -3.286 -9.761 84.408 1.00 6.51 C

ATOM 3639 O ASN B 531 -3.863 -8.819 84.952 1.00 7.27 O

ATOM 3640 CB ASN B 531 -1.860 -8.076 83.208 1.00 6.50 C

ATOM 3641 CG ASN B 531 -0.567 -7.802 82.469 1.00 6.29 C

ATOM 3642 OD1 ASN B 531 0.509 -8.093 82.971 1.00 7.64 O

ATOM 3643 ND2 ASN B 531 -0.670 -7.255 81.261 1.00 5.55 N

ATOM 3644 N ASP B 532 -3.741 -11.012 84.449 1.00 6.30 N

ATOM 3645 CA ASP B 532 -4.997 -11.350 85.123 1.00 5.58 C

ATOM 3646 C ASP B 532 -4.795 -11.414 86.641 1.00 6.14 C

ATOM 3647 O ASP B 532 -4.669 -12.488 87.230 1.00 5.89 O

ATOM 3648 CB ASP B 532 -5.550 -12.672 84.581 1.00 5.10 C

ATOM 3649 CG ASP B 532 -6.949 -12.977 85.077 1.00 8.54 C

ATOM 3650 OD1 ASP B 532 -7.582 -12.084 85.691 1.00 8.19 O

ATOM 3651 OD2 ASP B 532 -7.505 -14.088 84.884 1.00 8.97 O

ATOM 3652 N ILE B 533 -4.755 -10.251 87.272 1.00 6.94 N

ATOM 3653 CA ILE B 533 -4.546 -10.183 88.711 1.00 6.84 C

ATOM 3654 C ILE B 533 -5.205 -8.932 89.261 1.00 8.46 C

ATOM 3655 O ILE B 533 -5.281 -7.901 88.572 1.00 9.60 O

ATOM 3656 CB ILE B 533 -3.028 -10.208 89.046 1.00 6.20 C

ATOM 3657 CG1 ILE B 533 -2.802 -10.215 90.562 1.00 4.95 C

ATOM 3658 CG2 ILE B 533 -2.301 -9.040 88.401 1.00 6.21 C

ATOM 3659 CD1 ILE B 533 -1.353 -10.183 90.948 1.00 4.60 C

ATOM 3660 N ALA B 534 -5.692 -9.031 90.495 1.00 7.45 N

ATOM 3661 CA ALA B 534 -6.352 -7.914 91.151 1.00 7.94 C

ATOM 3662 C ALA B 534 -6.168 -7.980 92.664 1.00 7.94 C

ATOM 3663 O ALA B 534 -5.945 -9.056 93.221 1.00 7.59 O

ATOM 3664 CB ALA B 534 -7.830 -7.898 90.799 1.00 6.71 C

ATOM 3665 N LEU B 535 -6.260 -6.823 93.317 1.00 7.48 N

ATOM 3666 CA LEU B 535 -6.237 -6.765 94.772 1.00 7.12 C

ATOM 3667 C LEU B 535 -7.493 -6.105 95.312 1.00 6.96 C

ATOM 3668 O LEU B 535 -7.913 -5.052 94.829 1.00 6.84 O

ATOM 3669 CB LEU B 535 -5.009 -6.006 95.274 1.00 6.52 C

ATOM 3670 CG LEU B 535 -3.718 -6.828 95.312 1.00 7.40 C

ATOM 3671 CD1 LEU B 535 -2.506 -5.919 95.434 1.00 6.08 C

ATOM 3672 CD2 LEU B 535 -3.769 -7.833 96.455 1.00 6.13 C

ATOM 3673 N ILE B 536 -8.084 -6.736 96.316 1.00 7.74 N

ATOM 3674 CA ILE B 536 -9.197 -6.150 97.038 1.00 9.05 C

ATOM 3675 C ILE B 536 -8.733 -5.715 98.421 1.00 9.51 C

ATOM 3676 O ILE B 536 -8.183 -6.514 99.184 1.00 9.32 O

ATOM 3677 CB ILE B 536 -10.350 -7.160 97.180 1.00 8.76 C

ATOM 3678 CG1 ILE B 536 -10.781 -7.688 95.818 1.00 8.69 C

ATOM 3679 CG2 ILE B 536 -11.537 -6.527 97.890 1.00 9.78 C

ATOM 3680 CD1 ILE B 536 -11.353 -9.095 95.897 1.00 8.33 C

ATOM 3681 N LYS B 537 -8.949 -4.445 98.739 1.00 9.64 N

ATOM 3682 CA LYS B 537 -8.753 -3.986 100.099 1.00 11.10 C

ATOM 3683 C LYS B 537 -10.066 -4.132 100.864 1.00 10.83 C

ATOM 3684 O LYS B 537 -11.109 -3.690 100.396 1.00 11.58 O

ATOM 3685 CB LYS B 537 -8.281 -2.534 100.122 1.00 12.99 C

ATOM 3686 CG LYS B 537 -8.285 -1.946 101.523 1.00 15.07 C

ATOM 3687 CD LYS B 537 -7.089 -1.075 101.775 1.00 18.28 C

ATOM 3688 CE LYS B 537 -6.918 -0.834 103.265 1.00 20.31 C

ATOM 3689 NZ LYS B 537 -6.971 0.616 103.573 1.00 21.89 N

ATOM 3690 N LEU B 538 -10.017 -4.771 102.028 1.00 9.94 N

ATOM 3691 CA LEU B 538 -11.208 -4.927 102.858 1.00 11.09 C

ATOM 3692 C LEU B 538 -11.395 -3.682 103.728 1.00 13.06 C

ATOM 3693 O LEU B 538 -10.420 -3.036 104.105 1.00 14.02 O

ATOM 3694 CB LEU B 538 -11.108 -6.191 103.717 1.00 8.40 C

ATOM 3695 CG LEU B 538 -10.755 -7.472 102.944 1.00 8.72 C

ATOM 3696 CD1 LEU B 538 -10.596 -8.677 103.871 1.00 6.43 C

ATOM 3697 CD2 LEU B 538 -11.788 -7.778 101.850 1.00 6.54 C

ATOM 3698 N ASN B 539 -12.641 -3.334 104.036 1.00 14.42 N

ATOM 3699 CA ASN B 539 -12.906 -2.113 104.790 1.00 17.67 C

ATOM 3700 C ASN B 539 -12.602 -2.245 106.284 1.00 18.17 C

ATOM 3701 O ASN B 539 -12.573 -1.249 107.008 1.00 18.77 O

ATOM 3702 CB ASN B 539 -14.340 -1.619 104.558 1.00 19.50 C

ATOM 3703 CG ASN B 539 -15.381 -2.610 105.030 1.00 21.70 C

ATOM 3704 OD1 ASN B 539 -15.064 -3.753 105.368 1.00 23.04 O

ATOM 3705 ND2 ASN B 539 -16.638 -2.180 105.055 1.00 23.18 N

ATOM 3706 N ASN B 540 -12.376 -3.477 106.734 1.00 18.40 N

ATOM 3707 CA ASN B 540 -11.945 -3.736 108.104 1.00 19.81 C

ATOM 3708 C ASN B 540 -10.971 -4.907 108.179 1.00 19.52 C

ATOM 3709 O ASN B 540 -10.957 -5.779 107.310 1.00 20.19 O

ATOM 3710 CB ASN B 540 -13.147 -4.017 109.010 1.00 20.93 C

ATOM 3711 CG ASN B 540 -13.867 -2.750 109.442 1.00 22.83 C

ATOM 3712 OD1 ASN B 540 -14.997 -2.496 109.024 1.00 23.04 O

ATOM 3713 ND2 ASN B 540 -13.218 -1.952 110.284 1.00 22.26 N

ATOM 3714 N LYS B 541 -10.154 -4.924 109.223 1.00 20.44 N

ATOM 3715 CA LYS B 541 -9.281 -6.059 109.480 1.00 21.40 C

ATOM 3716 C LYS B 541 -10.110 -7.298 109.805 1.00 20.67 C

ATOM 3717 O LYS B 541 -11.065 -7.233 110.585 1.00 19.25 O

ATOM 3718 CB LYS B 541 -8.316 -5.747 110.623 1.00 22.87 C

ATOM 3719 CG LYS B 541 -7.144 -4.860 110.212 1.00 26.99 C

ATOM 3720 CD LYS B 541 -6.238 -4.532 111.391 1.00 28.99 C

ATOM 3721 CE LYS B 541 -4.793 -4.325 110.943 1.00 30.78 C

ATOM 3722 NZ LYS B 541 -3.843 -5.280 111.609 1.00 30.61 N

ATOM 3723 N VAL B 542 -9.757 -8.418 109.180 1.00 20.05 N

ATOM 3724 CA VAL B 542 -10.329 -9.712 109.540 1.00 20.95 C

ATOM 3725 C VAL B 542 -9.707 -10.196 110.849 1.00 20.11 C

ATOM 3726 O VAL B 542 -8.513 -9.990 111.089 1.00 18.80 O

ATOM 3727 CB VAL B 542 -10.034 -10.787 108.474 1.00 21.02 C

ATOM 3728 CG1 VAL B 542 -10.688 -12.098 108.861 1.00 22.70 C

ATOM 3729 CG2 VAL B 542 -10.500 -10.341 107.112 1.00 21.43 C

ATOM 3730 N VAL B 543 -10.505 -10.853 111.684 1.00 20.90 N

ATOM 3731 CA VAL B 543 -9.964 -11.479 112.884 1.00 21.49 C

ATOM 3732 C VAL B 543 -9.267 -12.788 112.516 1.00 22.05 C

ATOM 3733 O VAL B 543 -9.890 -13.732 112.025 1.00 21.15 O

ATOM 3734 CB VAL B 543 -11.029 -11.692 113.984 1.00 22.26 C

ATOM 3735 CG1AVAL B 543 -10.447 -12.487 115.149 0.50 21.96 C

ATOM 3736 CG1BVAL B 543 -11.221 -10.414 114.793 0.50 21.91 C

ATOM 3737 CG2AVAL B 543 -11.567 -10.350 114.470 0.50 22.07 C

ATOM 3738 CG2BVAL B 543 -12.345 -12.165 113.382 0.50 22.12 C

ATOM 3739 N ILE B 544 -7.960 -12.814 112.750 1.00 22.50 N

ATOM 3740 CA ILE B 544 -7.115 -13.930 112.355 1.00 22.93 C

ATOM 3741 C ILE B 544 -7.145 -15.055 113.391 1.00 25.46 C

ATOM 3742 O ILE B 544 -6.797 -14.848 114.557 1.00 26.52 O

ATOM 3743 CB ILE B 544 -5.668 -13.436 112.147 1.00 20.38 C

ATOM 3744 CG1 ILE B 544 -5.598 -12.452 110.978 1.00 19.13 C

ATOM 3745 CG2 ILE B 544 -4.717 -14.606 111.918 1.00 20.45 C

ATOM 3746 CD1 ILE B 544 -6.264 -12.954 109.724 1.00 16.81 C

ATOM 3747 N ASN B 545 -7.563 -16.243 112.959 1.00 26.66 N

ATOM 3748 CA ASN B 545 -7.535 -17.431 113.812 1.00 26.90 C

ATOM 3749 C ASN B 545 -7.130 -18.687 113.042 1.00 26.13 C

ATOM 3750 O ASN B 545 -6.738 -18.613 111.879 1.00 25.80 O

ATOM 3751 CB ASN B 545 -8.880 -17.643 114.513 1.00 27.34 C

ATOM 3752 CG ASN B 545 -10.031 -17.760 113.540 1.00 28.45 C

ATOM 3753 OD1 ASN B 545 -9.952 -18.491 112.553 1.00 28.89 O

ATOM 3754 ND2 ASN B 545 -11.113 -17.034 113.812 1.00 28.44 N

ATOM 3755 N SER B 546 -7.233 -19.839 113.696 1.00 25.66 N

ATOM 3756 CA SER B 546 -6.821 -21.103 113.091 1.00 25.53 C

ATOM 3757 C SER B 546 -7.539 -21.373 111.774 1.00 23.92 C

ATOM 3758 O SER B 546 -6.991 -22.027 110.886 1.00 24.67 O

ATOM 3759 CB SER B 546 -7.056 -22.266 114.056 1.00 26.70 C

ATOM 3760 OG SER B 546 -5.993 -22.373 114.993 1.00 29.67 O

ATOM 3761 N ASN B 547 -8.759 -20.859 111.647 1.00 21.91 N

ATOM 3762 CA ASN B 547 -9.551 -21.057 110.438 1.00 20.93 C

ATOM 3763 C ASN B 547 -9.394 -19.947 109.408 1.00 17.57 C

ATOM 3764 O ASN B 547 -9.808 -20.102 108.264 1.00 19.56 O

ATOM 3765 CB ASN B 547 -11.032 -21.240 110.786 1.00 23.93 C

ATOM 3766 CG ASN B 547 -11.366 -22.670 111.149 1.00 27.25 C

ATOM 3767 OD1 ASN B 547 -10.942 -23.613 110.474 1.00 28.15 O

ATOM 3768 ND2 ASN B 547 -12.117 -22.843 112.230 1.00 28.41 N

ATOM 3769 N ILE B 548 -8.816 -18.825 109.821 1.00 13.18 N

ATOM 3770 CA ILE B 548 -8.591 -17.700 108.918 1.00 14.12 C

ATOM 3771 C ILE B 548 -7.190 -17.114 109.095 1.00 13.96 C

ATOM 3772 O ILE B 548 -6.937 -16.371 110.044 1.00 15.90 O

ATOM 3773 CB ILE B 548 -9.645 -16.593 109.137 1.00 13.10 C

ATOM 3774 CG1 ILE B 548 -11.061 -17.141 108.960 1.00 12.50 C

ATOM 3775 CG2 ILE B 548 -9.399 -15.429 108.187 1.00 11.75 C

ATOM 3776 CD1 ILE B 548 -12.127 -16.128 109.287 1.00 12.64 C

ATOM 3777 N THR B 549 -6.287 -17.462 108.182 1.00 13.38 N

ATOM 3778 CA THR B 549 -4.931 -16.914 108.161 1.00 12.64 C

ATOM 3779 C THR B 549 -4.500 -16.716 106.704 1.00 10.43 C

ATOM 3780 O THR B 549 -4.883 -17.492 105.832 1.00 7.06 O

ATOM 3781 CB THR B 549 -3.920 -17.836 108.909 1.00 13.53 C

ATOM 3782 OG1 THR B 549 -4.306 -19.201 108.764 1.00 15.93 O

ATOM 3783 CG2 THR B 549 -3.999 -17.638 110.410 1.00 15.86 C

ATOM 3784 N PRO B 550 -3.712 -15.676 106.446 1.00 7.95 N

ATOM 3785 CA PRO B 550 -3.318 -15.324 105.082 1.00 7.70 C

ATOM 3786 C PRO B 550 -2.332 -16.317 104.473 1.00 7.89 C

ATOM 3787 O PRO B 550 -1.644 -17.047 105.194 1.00 5.29 O

ATOM 3788 CB PRO B 550 -2.625 -13.972 105.265 1.00 7.65 C

ATOM 3789 CG PRO B 550 -2.100 -14.014 106.655 1.00 7.92 C

ATOM 3790 CD PRO B 550 -3.134 -14.758 107.443 1.00 8.18 C

ATOM 3791 N ILE B 551 -2.281 -16.340 103.143 1.00 6.69 N

ATOM 3792 CA ILE B 551 -1.229 -17.051 102.431 1.00 6.70 C

ATOM 3793 C ILE B 551 0.034 -16.175 102.407 1.00 6.89 C

ATOM 3794 O ILE B 551 -0.056 -14.952 102.538 1.00 7.02 O

ATOM 3795 CB ILE B 551 -1.705 -17.437 101.000 1.00 5.65 C

ATOM 3796 CG1 ILE B 551 -0.657 -18.308 100.294 1.00 5.61 C

ATOM 3797 CG2 ILE B 551 -2.053 -16.191 100.160 1.00 3.97 C

ATOM 3798 CD1 ILE B 551 -0.501 -19.697 100.883 1.00 4.54 C

ATOM 3799 N CYS B 552 1.206 -16.790 102.283 1.00 6.43 N

ATOM 3800 CA CYS B 552 2.445 -16.020 102.153 1.00 7.39 C

ATCM 3801 C CYS B 552 2.675 -15.609 100.702 1.00 8.31 C

ATOM 3802 O CYS B 552 2.420 -16.388 99.779 1.00 8.38 O

ATOM 3803 CB CYS B 552 3.654 -16.828 102.611 1.00 7.41 C

ATOM 3804 SG CYS B 552 3.725 -17.206 104.368 1.00 9.95 S

ATOM 3805 N LEU B 553 3.147 -14.383 100.500 1.00 8.86 N

ATOM 3806 CA LEU B 553 3.622 -13.970 99.188 1.00 10.15 C

ATOM 3807 C LEU B 553 4.948 -14.671 98.928 1.00 10.56 C

ATOM 3808 O LEU B 553 5.719 -14.883 99.853 1.00 10.63 O

ATOM 3809 CB LEU B 553 3.810 -12.452 99.136 1.00 8.91 C

ATOM 3810 CG LEU B 553 2.497 -11.670 99.082 1.00 8.36 C

ATOM 3811 CD1 LEU B 553 2.754 -10.191 99.317 1.00 8.93 C

ATOM 3812 CD2 LEU B 553 1.782 -11.902 97.753 1.00 6.87 C

ATOM 3813 N PRO B 554 5.209 -15.029 97.676 1.00 11.06 N

ATOM 3814 CA PRO B 554 6.455 -15.710 97.321 1.00 12.32 C

ATOM 3815 C PRO B 554 7.680 -14.825 97.544 1.00 14.41 C

ATOM 3816 O PRO B 554 7.717 -13.686 97.094 1.00 15.43 O

ATOM 3817 CB PRO B 554 6.276 -16.015 95.828 1.00 10.53 C

ATOM 3818 CG PRO B 554 5.268 -15.029 95.355 1.00 10.75 C

ATOM 3819 CD PRO B 554 4.334 -14.812 96.506 1.00 9.87 C

ATOM 3820 N ARG B 555 8.667 -15.354 98.254 1.00 19.54 N

ATOM 3821 CA ARG B 555 9.947 -14.678 98.427 1.00 24.27 C

ATOM 3822 C ARG B 555 10.747 -14.812 97.133 1.00 23.80 C

ATOM 3823 O ARG B 555 10.339 -15.533 96.214 1.00 21.53 O

ATOM 3824 CB ARG B 555 10.716 -15.288 99.603 1.00 29.53 C

ATOM 3825 CG ARG B 555 9.936 -15.316 100.927 1.00 35.27 C

ATOM 3826 CD ARG B 555 8.779 -16.329 100.969 1.00 38.78 C

ATOM 3827 NE ARG B 555 8.642 -16.974 102.276 1.00 41.10 N

ATOM 3828 CZ ARG B 555 7.848 -18.012 102.514 1.00 41.49 C

ATOM 3829 NH1 ARG B 555 7.115 -18.522 101.534 1.00 41.76 N

ATOM 3830 NH2 ARG B 555 7.785 -18.541 103.730 1.00 40.40 N

ATOM 3831 N LYS B 556 11.889 -14.135 97.064 1.00 24.03 N

ATOM 3832 CA LYS B 556 12.653 -14.059 95.819 1.00 25.77 C

ATOM 3833 C LYS B 556 13.015 -15.424 95.234 1.00 25.08 C

ATOM 3834 O LYS B 556 12.915 -15.635 94.027 1.00 26.56 O

ATOM 3835 CB LYS B 556 13.909 -13.195 95.996 1.00 27.35 C

ATOM 3836 CG LYS B 556 14.780 -13.559 97.184 1.00 27.98 C

ATOM 3837 CD LYS B 556 15.999 -12.646 97.258 1.00 28.52 C

ATOM 3838 N GLU B 557 13.414 -16.353 96.094 1.00 25.49 N

ATOM 3839 CA GLU B 557 13.854 -17.669 95.651 1.00 24.94 C

ATOM 3840 C GLU B 557 12.739 -18.709 95.605 1.00 23.63 C

ATOM 3841 O GLU B 557 13.012 -19.901 95.456 1.00 24.84 O

ATOM 3842 CB GLU B 557 14.986 -18.170 96.551 1.00 27.46 C

ATOM 3843 CG GLU B 557 15.641 -17.079 97.381 1.00 29.22 C

ATOM 3844 CD GLU B 557 15.183 -17.081 98.831 1.00 29.58 C

ATOM 3845 OE1 GLU B 557 15.915 -17.621 99.688 1.00 28.26 O

ATOM 3846 OE2 GLU B 557 14.092 -16.539 99.115 1.00 29.75 O

ATOM 3847 N ALA B 558 11.487 -18.273 95.731 1.00 20.88 N

ATOM 3848 CA ALA B 558 10.360 -19.208 95.696 1.00 17.52 C

ATOM 3849 C ALA B 558 10.274 -19.984 94.378 1.00 15.04 C

ATOM 3850 O ALA B 558 9.638 -21.036 94.315 1.00 12.94 O

ATOM 3851 CB ALA B 558 9.053 -18.488 95.977 1.00 18.07 C

ATOM 3852 N GLU B 559 10.914 -19.466 93.331 1.00 13.99 N

ATOM 3853 CA GLU B 559 10.976 -20.162 92.045 1.00 13.64 C

ATOM 3854 C GLU B 559 11.623 -21.551 92.165 1.00 10.74 C

ATOM 3855 O GLU B 559 11.327 -22.443 91.375 1.00 11.69 O

ATOM 3856 CB GLU B 559 11.702 -19.318 90.991 1.00 18.94 C

ATOM 3857 CG GLU B 559 10.944 -18.064 90.563 1.00 25.49 C

ATOM 3858 CD GLU B 559 10.263 -18.196 89.206 1.00 28.18 C

ATOM 3859 OE1 GLU B 559 9.397 -19.093 89.054 1.00 29.19 O

ATOM 3860 OE2 GLU B 559 10.583 -17.394 88.291 1.00 28.78 O

ATOM 3861 N SER B 560 12.489 -21.734 93.161 1.00 6.21 N

ATOM 3862 CA SER B 560 13.113 -23.033 93.415 1.00 5.42 C

ATOM 3863 C SER B 560 12.102 -24.110 93.803 1.00 6.17 C

ATOM 3864 O SER B 560 12.405 -25.301 93.735 1.00 5.91 O

ATOM 3865 CB SER B 560 14.168 -22.928 94.513 1.00 5.08 C

ATOM 3866 OG SER B 560 15.284 -22.171 94.085 1.00 6.38 O

ATOM 3867 N PHE B 561 10.912 -23.690 94.229 1.00 5.19 N

ATOM 3868 CA PHE B 561 9.852 -24.629 94.576 1.00 5.92 C

ATOM 3869 C PHE B 561 8.798 -24.657 93.483 1.00 7.25 C

ATOM 3870 O PHE B 561 7.758 -25.300 93.628 1.00 7.69 O

ATOM 3871 CB PHE B 561 9.196 -24.245 95.912 1.00 7.59 C

ATOM 3872 CG PHE B 561 10.133 -24.289 97.087 1.00 6.74 C

ATOM 3873 CD1 PHE B 561 10.479 -23.125 97.755 1.00 7.14 C

ATOM 3874 CD2 PHE B 561 10.675 -25.492 97.516 1.00 6.18 C

ATOM 3875 CE1 PHE B 561 11.353 -23.159 98.855 1.00 6.80 C

ATOM 3876 CE2 PHE B 561 11.558 -25.538 98.608 1.00 7.13 C

ATOM 3877 CZ PHE B 561 11.891 -24.368 99.278 1.00 6.49 C

ATOM 3878 N MET B 562 9.060 -23.948 92.389 1.00 8.43 N

ATOM 3879 CA MET B 562 8.089 -23.843 91.315 1.00 8.32 C

ATOM 3880 C MET B 562 8.708 -24.218 89.976 1.00 9.97 C

ATOM 3881 O MET B 562 8.500 -23.531 88.971 1.00 10.40 O

ATOM 3882 CB MET B 562 7.497 -22.431 91.252 1.00 7.28 C

ATOM 3883 CG MET B 562 6.672 -22.035 92.485 1.00 6.88 C

ATOM 3884 SD MET B 562 5.716 -20.501 92.229 1.00 8.80 S

ATOM 3885 CE MET B 562 7.001 -19.240 92.443 1.00 6.00 C

ATOM 3886 N ARG B 563 9.470 -25.304 89.955 1.00 9.73 N

ATOM 3887 CA ARG B 563 10.060 -25.757 88.699 1.00 10.53 C

ATOM 3888 C ARG B 563 9.146 -26.783 88.057 1.00 8.53 C

ATOM 3889 O ARG B 563 8.263 -27.333 88.720 1.00 7.29 O

ATOM 3890 CB ARG B 563 11.459 -26.345 88.919 1.00 12.49 C

ATOM 3891 CG ARG B 563 12.375 -25.480 89.772 1.00 15.81 C

ATOM 3892 CD ARG B 563 13.406 -24.672 88.990 1.00 20.11 C

ATOM 3893 NE ARG B 563 14.484 -24.193 89.860 1.00 22.70 N

ATOM 3894 CZ ARG B 563 14.902 -22.930 89.925 1.00 22.90 C

ATOM 3895 NH1 ARG B 563 14.349 -21.997 89.160 1.00 23.54 N

ATOM 3896 NH2 ARG B 563 15.878 -22.601 90.760 1.00 22.59 N

ATOM 3897 N THR B 564 9.349 -27.027 86.771 1.00 7.53 N

ATOM 3898 CA THR B 564 8.617 -28.075 86.074 1.00 8.98 C

ATOM 3899 C THR B 564 8.578 -29.348 86.923 1.00 8.06 C

ATOM 3900 O THR B 564 9.607 -29.783 87.442 1.00 8.33 O

ATOM 3901 CB THR B 564 9.272 -28.341 84.708 1.00 8.23 C

ATOM 3902 OG1 THR B 564 9.264 -27.127 83.949 1.00 8.47 O

ATOM 3903 CG2 THR B 564 8.412 -29.284 83.868 1.00 7.36 C

ATOM 3904 N ASP B 565 7.378 -29.909 87.085 1.00 8.01 N

ATOM 3905 CA ASP B 565 7.154 -31.136 87.858 1.00 8.73 C

ATOM 3906 C ASP B 565 7.038 -30.921 89.366 1.00 9.53 C

ATOM 3907 O ASP B 565 6.737 -31.856 90.109 1.00 9.41 O

ATOM 3908 CB ASP B 565 8.223 -32.187 87.554 1.00 10.93 C

ATOM 3909 CG ASP B 565 8.106 -32.742 86.151 1.00 13.81 C

ATOM 3910 OD1 ASP B 565 7.024 -32.600 85.538 1.00 14.93 O

ATOM 3911 OD2 ASP B 565 9.043 -33.340 85.581 1.00 16.96 O

ATOM 3912 N ASP B 566 7.280 -29.694 89.823 1.00 8.51 N

ATOM 3913 CA ASP B 566 7.004 -29.366 91.212 1.00 7.12 C

ATOM 3914 C ASP B 566 5.501 -29.349 91.417 1.00 6.83 C

ATOM 3915 O ASP B 566 4.749 -29.057 90.489 1.00 6.03 O

ATOM 3916 CB ASP B 566 7.632 -28.032 91.600 1.00 7.97 C

ATOM 3917 CG ASP B 566 9.123 -28.148 91.834 1.00 8.86 C

ATOM 3918 OD1 ASP B 566 9.581 -29.278 92.113 1.00 9.38 O

ATOM 3919 OD2 ASP B 566 9.913 -27.182 91.753 1.00 9.04 O

ATOM 3920 N ILE B 567 5.068 -29.669 92.633 1.00 7.57 N

ATOM 3921 CA ILE B 567 3.654 -29.868 92.924 1.00 7.79 C

ATOM 3922 C ILE B 567 3.025 -28.639 93.585 1.00 9.37 C

ATOM 3923 O ILE B 567 3.507 -28.151 94.603 1.00 10.76 O

ATOM 3924 CB ILE B 567 3.456 -31.086 93.842 1.00 7.24 C

ATOM 3925 CG1 ILE B 567 4.138 -32.342 93.273 1.00 8.05 C

ATOM 3926 CG2 ILE B 567 1.975 -31.316 94.100 1.00 6.58 C

ATOM 3927 CD1 ILE B 567 3.983 -32.534 91.789 1.00 9.38 C

ATOM 3928 N GLY B 568 1.939 -28.150 93.003 1.00 8.19 N

ATOM 3929 CA GLY B 568 1.179 -27.081 93.615 1.00 8.11 C

ATOM 3930 C GLY B 568 -0.216 -27.571 93.945 1.00 8.10 C

ATOM 3931 O GLY B 568 -0.613 -28.660 93.524 1.00 9.87 O

ATOM 3932 N THR B 569 -0.961 -26.770 94.694 1.00 6.09 N

ATOM 3933 CA THR B 569 -2.313 -27.143 95.081 1.00 6.03 C

ATOM 3934 C THR B 569 -3.327 -26.075 94.731 1.00 6.16 C

ATOM 3935 O THR B 569 -3.194 -24.909 95.129 1.00 6.01 O

ATOM 3936 CB THR B 569 -2.379 -27.428 96.577 1.00 4.39 C

ATOM 3937 OG1 THR B 569 -1.429 -28.444 96.892 1.00 4.52 O

ATOM 3938 CG2 THR B 569 -3.722 -28.058 96.936 1.00 4.87 C

ATOM 3939 N ALA B 570 -4.336 -26.492 93.980 1.00 5.47 N

ATOM 3940 CA ALA B 570 -5.461 -25.645 93.659 1.00 5.26 C

ATOM 3941 C ALA B 570 -6.645 -26.036 94.541 1.00 7.07 C

ATOM 3942 O ALA B 570 -6.940 -27.227 94.722 1.00 6.18 O

ATOM 3943 CB ALA B 570 -5.814 -25.783 92.180 1.00 7.29 C

ATOM 3944 N SER B 571 -7.310 -25.034 95.110 1.00 6.23 N

ATOM 3945 CA SER B 571 -8.501 -25.278 95.923 1.00 6.59 C

ATOM 3946 C SER B 571 -9.650 -24.395 95.460 1.00 4.91 C

ATOM 3947 O SER B 571 -9.431 -23.295 94.968 1.00 8.23 O

ATOM 3948 CB SER B 571 -8.209 -25.029 97.402 1.00 6.88 C

ATOM 3949 OG SER B 571 -7.627 -23.749 97.586 1.00 8.87 O

ATOM 3950 N GLY B 572 -10.877 -24.872 95.617 1.00 3.15 N

ATOM 3951 CA GLY B 572 -12.018 -24.082 95.226 1.00 2.08 C

ATOM 3952 C GLY B 572 -13.336 -24.816 95.289 1.00 4.26 C

ATOM 3953 O GLY B 572 -13.405 -26.002 95.641 1.00 4.75 O

ATOM 3954 N TRP B 573 -14.391 -24.093 94.932 1.00 4.01 N

ATOM 3955 CA TRP B 573 -15.737 -24.639 94.899 1.00 4.93 C

ATOM 3956 C TRP B 573 -16.207 -24.785 93.448 1.00 4.14 C

ATOM 3957 O TRP B 573 -17.401 -24.941 93.181 1.00 5.47 O

ATOM 3958 CB TRP B 573 -16.692 -23.723 95.657 1.00 4.32 C

ATOM 3959 CG TRP B 573 -16.485 -23.643 97.143 1.00 4.22 C

ATOM 3960 CD1 TRP B 573 -16.979 -24.504 98.095 1.00 4.34 C

ATOM 3961 CD2 TRP B 573 -15.789 -22.611 97.866 1.00 5.60 C

ATOM 3962 NE1 TRP B 573 -16.604 -24.086 99.350 1.00 4.10 N

ATOM 3963 CE2 TRP B 573 -15.878 -22.926 99.240 1.00 4.72 C

ATOM 3964 CE3 TRP B 573 -15.087 -21.457 97.491 1.00 4.79 C

ATOM 3965 CZ2 TRP B 573 -15.292 -22.132 100.231 1.00 6.13 C

ATOM 3966 CZ3 TRP B 573 -14.505 -20.676 98.474 1.00 4.11 C

ATOM 3967 CH2 TRP B 573 -14.613 -21.013 99.826 1.00 4.15 C

ATOM 3968 N GLY B 574 -15.266 -24.731 92.512 1.00 3.83 N

ATOM 3969 CA GLY B 574 -15.593 -24.812 91.094 1.00 5.24 C

ATOM 3970 C GLY B 574 -16.043 -26.186 90.624 1.00 6.56 C

ATOM 3971 O GLY B 574 -16.165 -27.114 91.426 1.00 7.03 O

ATOM 3972 N LEU B 575 -16.283 -26.319 89.322 1.00 6.32 N

ATOM 3973 CA LEU B 575 -16.806 -27.564 88.752 1.00 6.87 C

ATOM 3974 C LEU B 575 -15.939 -28.776 89.082 1.00 7.96 C

ATOM 3975 O LEU B 575 -14.703 -28.699 89.058 1.00 4.81 O

ATOM 3976 CB LEU B 575 -16.953 -27.462 87.228 1.00 5.97 C

ATOM 3977 CG LEU B 575 -17.788 -26.359 86.570 1.00 7.72 C

ATOM 3978 CD1 LEU B 575 -17.830 -26.581 85.049 1.00 5.40 C

ATOM 3979 CD2 LEU B 575 -19.202 -26.275 87.135 1.00 6.74 C

ATOM 3980 N THR B 576 -16.600 -29.892 89.390 1.00 8.50 N

ATOM 3981 CA THR B 576 -15.923 -31.172 89.557 1.00 11.56 C

ATOM 3982 C THR B 576 -16.135 -31.995 88.297 1.00 13.56 C

ATOM 3983 O THR B 576 -16.662 -31.486 87.309 1.00 14.44 O

ATOM 3984 CB THR B 576 -16.465 -31.928 90.785 1.00 11.57 C

ATOM 3985 OG1 THR B 576 -17.825 -32.324 90.547 1.00 10.96 O

ATOM 3986 CG2 THR B 576 -16.563 -30.992 91.983 1.00 10.70 C

ATOM 3987 N GLN B 577 -15.735 -33.263 88.323 1.00 15.24 N

ATOM 3988 CA GLN B 577 -15.929 -34.125 87.159 1.00 16.60 C

ATOM 3989 C GLN B 577 -17.413 -34.361 86.858 1.00 15.25 C

ATOM 3990 O GLN B 577 -17.763 -34.793 85.761 1.00 15.70 O

ATOM 3991 CB GLN B 577 -15.203 -35.465 87.321 1.00 18.57 C

ATOM 3992 CG GLN B 577 -15.040 -36.216 86.003 1.00 22.87 C

ATOM 3993 CD GLN B 577 -14.885 -37.715 86.176 1.00 24.98 C

ATOM 3994 OE1 GLN B 577 -14.340 -38.177 87.177 1.00 27.90 O

ATOM 3995 NE2 GLN B 577 -15.367 -38.478 85.200 1.00 24.58 N

ATOM 3996 N ARG B 578 -18.276 -34.083 87.832 1.00 12.40 N

ATOM 3997 CA ARG B 578 -19.721 -34.225 87.647 1.00 12.21 C

ATOM 3998 C ARG B 578 -20.280 -33.125 86.754 1.00 12.20 C

ATOM 3999 O ARG B 578 -21.380 -33.253 86.222 1.00 12.34 O

ATOM 4000 CB ARG B 578 -20.460 -34.179 88.986 1.00 10.02 C

ATOM 4001 CG ARG B 578 -20.170 -35.315 89.930 1.00 9.44 C

ATOM 4002 CD ARG B 578 -20.907 -35.171 91.242 1.00 11.43 C

ATOM 4003 NE ARG B 578 -22.324 -34.918 91.005 1.00 13.46 N

ATOM 4004 CZ ARG B 578 -23.024 -33.968 91.599 1.00 14.95 C

ATOM 4005 NH1 ARG B 578 -22.449 -33.171 92.490 1.00 15.34 N

ATOM 4006 NH2 ARG B 578 -24.309 -33.816 91.305 1.00 17.02 N

ATOM 4007 N GLY B 579 -19.537 -32.032 86.622 1.00 10.92 N

ATOM 4008 CA GLY B 579 -19.968 -30.925 85.793 1.00 10.61 C

ATOM 4009 C GLY B 579 -20.788 -29.907 86.565 1.00 10.82 C

ATOM 4010 O GLY B 579 -21.452 -29.058 85.975 1.00 9.33 O

ATOM 4011 N PHE B 580 -20.754 -30.003 87.891 1.00 10.85 N

ATOM 4012 CA PHE B 580 -21.440 -29.040 88.743 1.00 10.21 C

ATOM 4013 C PHE B 580 -20.476 -28.458 89.753 1.00 9.60 C

ATOM 4014 O PHE B 580 -19.477 -29.089 90.096 1.00 8.81 O

ATOM 4015 CB PHE B 580 -22.615 -29.698 89.465 1.00 11.90 C

ATOM 4016 CG PHE B 580 -23.625 -30.293 88.534 1.00 14.59 C

ATOM 4017 CD1 PHE B 580 -23.619 -31.654 88.261 1.00 15.59 C

ATOM 4018 CD2 PHE B 580 -24.562 -29.490 87.907 1.00 14.46 C

ATOM 4019 CE1 PHE B 580 -24.542 -32.203 87.382 1.00 15.99 C

ATOM 4020 CE2 PHE B 580 -25.482 -30.033 87.032 1.00 15.02 C

ATOM 4021 CZ PHE B 580 -25.474 -31.390 86.772 1.00 15.19 C

ATOM 4022 N LEU B 581 -20.773 -27.247 90.214 1.00 8.73 N

ATOM 4023 CA LEU B 581 -20.016 -26.640 91.296 1.00 9.70 C

ATOM 4024 C LEU B 581 -20.034 -27.570 92.503 1.00 9.17 C

ATOM 4025 O LEU B 581 -20.918 -28.416 92.632 1.00 11.05 O

ATOM 4026 CB LEU B 581 -20.609 -25.274 91.670 1.00 10.20 C

ATOM 4027 CG LEU B 581 -20.629 -24.172 90.599 1.00 10.13 C

ATOM 4028 CD1 LEU B 581 -21.555 -23.049 91.025 1.00 10.03 C

ATOM 4029 CD2 LEU B 581 -19.233 -23.631 90.319 1.00 9.77 C

ATOM 4030 N ALA B 582 -19.051 -27.429 93.381 1.00 9.19 N

ATOM 4031 CA ALA B 582 -19.034 -28.212 94.616 1.00 9.35 C

ATOM 4032 C ALA B 582 -19.676 -27.415 95.745 1.00 8.54 C

ATOM 4033 O ALA B 582 -19.656 -26.184 95.739 1.00 8.12 O

ATOM 4034 CB ALA B 582 -17.612 -28.623 94.979 1.00 7.90 C

ATOM 4035 N ARG B 583 -20.269 -28.116 96.701 1.00 9.32 N

ATOM 4036 CA ARG B 583 -20.852 -27.454 97.859 1.00 9.54 C

ATOM 4037 C ARG B 583 -19.781 -27.192 98.902 1.00 8.61 C

ATOM 4038 O ARG B 583 -19.808 -26.169 99.585 1.00 8.12 O

ATOM 4039 CB ARG B 583 -21.966 -28.304 98.469 1.00 11.85 C

ATOM 4040 CG ARG B 583 -23.081 -28.640 97.504 1.00 14.93 C

ATOM 4041 CD ARG B 583 -24.105 -27.545 97.343 1.00 17.19 C

ATOM 4042 NE ARG B 583 -25.449 -28.024 97.653 1.00 20.39 N

ATOM 4043 CZ ARG B 583 -26.485 -27.899 96.841 1.00 21.07 C

ATOM 4044 NH1 ARG B 583 -26.336 -27.310 95.665 1.00 24.37 N

ATOM 4045 NH2 ARG B 583 -27.672 -28.358 97.202 1.00 21.67 N

ATOM 4046 N ASN B 584 -18.853 -28.142 99.021 1.00 6.78 N

ATOM 4047 CA ASN B 584 -17.740 -28.054 99.955 1.00 5.78 C

ATOM 4048 C ASN B 584 -16.437 -27.773 99.221 1.00 5.67 C

ATOM 4049 O ASN B 584 -16.255 -28.195 98.066 1.00 5.88 O

ATOM 4050 CB ASN B 584 -17.598 -29.354 100.738 1.00 5.89 C

ATOM 4051 CG ASN B 584 -18.805 -29.656 101.596 1.00 7.39 C

ATOM 4052 OD1 ASN B 584 -18.806 -29.367 102.791 1.00 9.78 O

ATOM 4053 ND2 ASN B 584 -19.830 -30.265 101.002 1.00 4.96 N

ATOM 4054 N LEU B 585 -15.541 -27.055 99.893 1.00 3.83 N

ATOM 4055 CA LEU B 585 -14.218 -26.743 99.361 1.00 6.19 C

ATOM 4056 C LEU B 585 -13.446 -28.015 98.991 1.00 4.33 C

ATOM 4057 O LEU B 585 -13.309 -28.922 99.809 1.00 3.89 O

ATOM 4058 CB LEU B 585 -13.412 -25.917 100.383 1.00 5.30 C

ATOM 4059 CG LEU B 585 -12.112 -25.312 99.839 1.00 6.79 C

ATOM 4060 CD1 LEU B 585 -12.398 -24.319 98.710 1.00 4.98 C

ATOM 4061 CD2 LEU B 585 -11.271 -24.656 100.953 1.00 7.49 C

ATOM 4062 N MET B 586 -12.958 -28.067 97.753 1.00 5.72 N

ATOM 4063 CA MET B 586 -12.137 -29.176 97.267 1.00 6.56 C

ATOM 4064 C MET B 586 -10.733 -28.699 96.953 1.00 5.67 C

ATOM 4065 O MET B 586 -10.497 -27.502 96.854 1.00 5.67 O

ATOM 4066 CB MET B 586 -12.732 -29.766 95.994 1.00 8.32 C

ATOM 4067 CG MET B 586 -14.193 -30.129 96.094 1.00 10.23 C

ATOM 4068 SD MET B 586 -14.408 -31.565 97.117 1.00 11.90 S

ATOM 4069 CE MET B 586 -15.772 -32.273 96.379 1.00 12.81 C

ATOM 4070 N TYR B 587 -9.805 -29.639 96.786 1.00 5.83 N

ATOM 4071 CA TYR B 587 -8.449 -29.309 96.361 1.00 7.62 C

ATOM 4072 C TYR B 587 -7.812 -30.440 95 549 1.00 8.85 C

ATOM 4073 O TYR B 587 -8.231 -31.594 95.654 1.00 8.54 O

ATOM 4074 CB TYR B 587 -7.569 -28.950 97.566 1.00 7.84 C

ATOM 4075 CG TYR B 587 -7.203 -30.123 98.449 1.00 8.19 C

ATOM 4076 CD1 TYR B 587 -5.988 -30.772 98.303 1.00 8.95 C

ATOM 4077 CD2 TYR B 587 -8.075 -30.578 99.431 1.00 8.78 C

ATOM 4078 CE1 TYR B 587 -5.645 -31.840 99.108 1.00 8.50 C

ATOM 4079 CE2 TYR B 587 -7.740 -31.648 100.245 1.00 9.29 C

ATOM 4080 CZ TYR B 587 -6.526 -32.273 100.075 1.00 9.52 C

ATOM 4081 OH TYR B 587 -6.188 -33.333 100.872 1.00 11.71 O

ATOM 4082 N VAL B 588 -6.818 -30.093 94.728 1.00 8.41 N

ATOM 4083 CA VAL B 588 -5.982 -31.086 94.032 1.00 8.63 C

ATOM 4084 C VAL B 588 -4.531 -30.650 93.976 1.00 7.08 C

ATOM 4085 O VAL B 588 -4.235 -29.462 93.864 1.00 7.63 O

ATOM 4086 CB VAL B 588 -6.395 -31.319 92.557 1.00 9.83 C

ATOM 4087 CG1 VAL B 588 -7.529 -32.282 92.468 1.00 9.55 C

ATOM 4088 CG2 VAL B 588 -6.700 -29.990 91.842 1.00 7.62 C

ATOM 4089 N ASP B 589 -3.636 -31.627 94.039 1.00 7.07 N

ATOM 4090 CA ASP B 589 -2.217 -31.408 93.803 1.00 7.33 C

ATOM 4091 C ASP B 589 -1.934 -31.636 92.327 1.00 6.70 C

ATOM 4092 O ASP B 589 -2.341 -32.647 91.760 1.00 5.65 O

ATOM 4093 CB ASP B 589 -1.380 -32.381 94.632 1.00 7.09 C

ATOM 4094 CG ASP B 589 -1.440 -32.086 96.113 1.00 8.67 C

ATOM 4095 OD1 ASP B 589 -2.008 -31.045 96.503 1.00 9.90 O

ATOM 4096 OD2 ASP B 589 -0.939 -32.844 96.964 1.00 11.12 O

ATOM 4097 N ILE B 590 -1.253 -30.690 91.696 1.00 6.54 N

ATOM 4098 CA ILE B 590 -0.952 -30.811 90.273 1.00 6.04 C

ATOM 4099 C ILE B 590 0.459 -30.318 89.985 1.00 5.68 C

ATOM 4100 O ILE B 590 0.941 -29.382 90.621 1.00 6.11 O

ATOM 4101 CB ILE B 590 -1.974 -30.024 89.423 1.00 5.85 C

ATOM 4102 CG1 ILE B 590 -2.103 -28.588 89.924 1.00 5.24 C

ATOM 4103 CG2 ILE B 590 -3.330 -30.695 89.451 1.00 6.93 C

ATOM 4104 CD1 ILE B 590 -3.247 -27.837 89.284 1.00 4.86 C

ATOM 4105 N PRO B 591 1.109 -30.940 89.007 1.00 4.72 N

ATOM 4106 CA PRO B 591 2.487 -30.598 88.657 1.00 3.61 C

ATOM 4107 C PRO B 591 2.539 -29.396 87.728 1.00 5.07 C

ATOM 4108 O PRO B 591 1.673 -29.251 86.861 1.00 4.61 O

ATOM 4109 CB PRO B 591 2.971 -31.839 87.905 1.00 2.87 C

ATOM 4110 CG PRO B 591 1.740 -32.395 87.256 1.00 3.85 C

ATOM 4111 CD PRO B 591 0.564 -32.009 88.151 1.00 3.82 C

ATOM 4112 N ILE B 592 3.544 -28.548 87.916 1.00 5.36 N

ATOM 4113 CA ILE B 592 3.841 -27.478 86.973 1.00 5.47 C

ATOM 4114 C ILE B 592 4.244 -28.083 85.633 1.00 5.49 C

ATOM 4115 O ILE B 592 5.030 -29.036 85.574 1.00 4.30 O

ATOM 4116 CB ILE B 592 4.981 -26.600 87.516 1.00 6.41 C

ATOM 4117 CG1 ILE B 592 4.510 -25.824 88.746 1.00 7.13 C

ATOM 4118 CG2 ILE B 592 5.519 -25.667 86.428 1.00 6.34 C

ATOM 4119 CD1 ILE B 592 5.512 -24.823 89.241 1.00 8.00 C

ATOM 4120 N VAL B 593 3.705 -27.516 84.561 1.00 5.64 N

ATOM 4121 CA VAL B 593 3.940 -28.023 83.221 1.00 6.06 C

ATOM 4122 C VAL B 593 4.931 -27.143 82.459 1.00 6.00 C

ATOM 4123 O VAL B 593 4.909 -25.913 82.576 1.00 4.13 O

ATOM 4124 CB VAL B 593 2.606 -28.113 82.452 1.00 7.68 C

ATOM 4125 CG1 VAL B 593 2.837 -28.443 80.980 1.00 6.66 C

ATOM 4126 CG2 VAL B 593 1.686 -29.136 83.118 1.00 7.50 C

ATOM 4127 N ASP B 594 5.811 -27.779 81.690 1.00 6.29 N

ATOM 4128 CA ASP B 594 6.769 -27.048 80.868 1.00 8.62 C

ATOM 4129 C ASP B 594 6.070 -25.966 80.039 1.00 8.09 C

ATOM 4130 O ASP B 594 5.034 -26.215 79.420 1.00 7.33 O

ATOM 4131 CB ASP B 594 7.536 -28.011 79.960 1.00 10.40 C

ATOM 4132 CG ASP B 594 8.430 -27.292 78.986 1.00 13.52 C

ATOM 4133 OD1 ASP B 594 9.558 -26.921 79.382 1.00 15.59 O

ATOM 4134 OD2 ASP B 594 8.090 -27.044 77.808 1.00 14.11 O

ATOM 4135 N HIS B 595 6.641 -24.766 80.038 1.00 7.84 N

ATOM 4136 CA HIS B 595 5.996 -23.603 79.425 1.00 6.36 C

ATOM 4137 C HIS B 595 5.833 -23.712 77.904 1.00 5.95 C

ATOM 4138 O HIS B 595 4.809 -23.318 77.359 1.00 5.38 O

ATOM 4139 CB HIS B 595 6.754 -22.326 79.779 1.00 7.41 C

ATOM 4140 CG HIS B 595 5.951 -21.076 79.593 1.00 8.02 C

ATOM 4141 ND1 HIS B 595 6.144 -20.201 78.564 1.00 7.78 N

ATOM 4142 CD2 HIS B 595 4.947 -20.550 80.312 1.00 7.12 C

ATOM 4143 CE1 HIS B 595 5.301 -19.191 78.654 1.00 6.55 C

ATOM 4144 NE2 HIS B 595 4.560 -19.379 79.711 1.00 7.26 N

ATOM 4145 N GLN B 596 6.845 -24.223 77.215 1.00 5.27 N

ATOM 4146 CA GLN B 596 6.712 -24.448 75.780 1.00 5.45 C

ATOM 4147 C GLN B 596 5.614 -25.467 75.471 1.00 5.98 C

ATOM 4148 O GLN B 596 4.836 -25.295 74.533 1.00 7.19 O

ATOM 4149 CB GLN B 596 8.036 -24.897 75.150 1.00 3.61 C

ATOM 4150 CG GLN B 596 7.942 -25.001 73.629 1.00 4.39 C

ATOM 4151 CD GLN B 596 9.224 -25.449 72.960 1.00 3.82 C

ATOM 4152 OE1 GLN B 596 10.204 -25.784 73.628 1.00 3.23 O

ATOM 4153 NE2 GLN B 596 9.218 -25.457 71.630 1.00 3.98 N

ATOM 4154 N LYS B 597 5.563 -26.532 76.261 1.00 7.27 N

ATOM 4155 CA LYS B 597 4.588 -27.594 76.055 1.00 9.51 C

ATOM 4156 C LYS B 597 3.174 -27.055 76.305 1.00 9.34 C

ATOM 4157 O LYS B 597 2.215 -27.432 75.624 1.00 8.63 O

ATOM 4158 CB LYS B 597 4.899 -28.777 76.977 1.00 11.56 C

ATOM 4159 CG LYS B 597 3.954 -29.948 76.840 1.00 15.82 C

ATOM 4160 CD LYS B 597 4.644 -31.255 77.174 1.00 19.77 C

ATOM 4161 CE LYS B 597 4.153 -31.819 78.497 1.00 21.49 C

ATOM 4162 NZ LYS B 597 4.758 -33.155 78.762 1.00 23.00 N

ATOM 4163 N CYS B 598 3.058 -26.150 77.268 1.00 7.44 N

ATOM 4164 CA CYS B 598 1.781 -25.510 77.541 1.00 7.25 C

ATOM 4165 C CYS B 598 1.403 -24.500 76.465 1.00 6.46 C

ATOM 4166 O CYS B 598 0.244 -24.383 76.092 1.00 4.86 O

ATOM 4167 CB CYS B 598 1.826 -24.803 78.877 1.00 6.64 C

ATOM 4168 SG CYS B 598 0.270 -24.005 79.277 1.00 9.39 S

ATOM 4169 N THR B 599 2.396 -23.759 75.990 1.00 6.33 N

ATOM 4170 CA THR B 599 2.202 -22.798 74.925 1.00 7.05 C

ATOM 4171 C THR B 599 1.653 -23.491 73.677 1.00 6.95 C

ATOM 4172 O THR B 599 0.661 -23.045 73.087 1.00 7.16 O

ATOM 4173 CB THR B 599 3.541 -22.104 74.613 1.00 8.12 C

ATOM 4174 OG1 THR B 599 3.797 -21.102 75.606 1.00 7.30 O

ATOM 4175 CG2 THR B 599 3.445 -21.322 73.317 1.00 9.38 C

ATOM 4176 N ALA B 600 2.287 -24.595 73.298 1.00 5.68 N

ATOM 4177 CA ALA B 600 1.901 -25.336 72.100 1.00 5.91 C

ATOM 4178 C ALA B 600 0.479 -25.892 72.211 1.00 5.27 C

ATOM 4179 O ALA B 600 -0.234 -26.007 71.215 1.00 4.47 O

ATOM 4180 CB ALA B 600 2.896 -26.458 71.822 1.00 4.41 C

ATOM 4181 N ALA B 601 0.070 -26.224 73.429 1.00 4.39 N

ATOM 4182 CA ALA B 601 -1.244 -26.809 73.657 1.00 3.07 C

ATOM 4183 C ALA B 601 -2.357 -25.809 73.331 1.00 4.19 C

ATOM 4184 O ALA B 601 -3.485 -26.196 73.046 1.00 3.79 O

ATOM 4185 CB ALA B 601 -1.355 -27.293 75.106 1.00 4.03 C

ATOM 4186 N TYR B 602 -2.033 -24.521 73.371 1.00 4.29 N

ATOM 4187 CA TYR B 602 -3.035 -23.489 73.127 1.00 4.85 C

ATOM 4188 C TYR B 602 -2.813 -22.768 71.805 1.00 7.34 C

ATOM 4189 O TYR B 602 -3.460 -21.763 71.507 1.00 5.44 O

ATOM 4190 CB TYR B 602 -3.095 -22.521 74.310 1.00 2.60 C

ATOM 4191 CG TYR B 602 -3.762 -23.181 75.493 1.00 4.16 C

ATOM 4192 CD1 TYR B 602 -3.020 -23.618 76.591 1.00 2.03 C

ATOM 4193 CD2 TYR B 602 -5.135 -23.429 75.481 1.00 2.83 C

ATOM 4194 CE1 TYR B 602 -3.640 -24.245 77.659 1.00 3.81 C

AT0M 4195 CE2 TYR B 602 -5.759 -24.054 76.538 1.00 2.89 C

ATOM 4196 CZ TYR B 602 -5.013 -24.464 77.626 1.00 3.17 C

ATOM 4197 OH TYR B 602 -5.648 -25.090 78.680 1.00 3.79 O

ATOM 4198 N GLU B 603 -1.900 -23.306 71.006 1.00 10.77 N

ATOM 4199 CA GLU B 603 -1.597 -22.730 69.705 1.00 14.93 C

ATOM 4200 C GLU B 603 -2.492 -23.358 68.664 1.00 15.65 C

ATOM 4201 O GLU B 603 -2.036 -24.114 67.807 1.00 17.17 O

ATOM 4202 CB GLU B 603 -0.133 -22.954 69.344 1.00 18.48 C

ATOM 4203 CG GLU B 603 0.631 -21.675 69.056 1.00 22.07 C

ATOM 4204 CD GLU B 603 2.033 -21.952 68.551 1.00 25.54 C

ATOM 4205 OE1 GLU B 603 2.206 -22.065 67.313 1.00 27.93 O

ATOM 4206 OE2 GLU B 603 2.956 -22.067 69.390 1.00 24.91 O

ATOM 4207 N LYS B 604 -3.776 -23.039 68.758 1.00 16.17 N

ATOM 4208 CA LYS B 604 -4.796 -23.626 67.905 1.00 15.99 C

ATOM 4209 C LYS B 604 -6.103 -22.872 68.124 1.00 15.98 C

ATOM 4210 O LYS B 604 -6.298 -22.263 69.174 1.00 13.87 O

ATOM 4211 CB LYS B 604 -4.982 -25.112 68.237 1.00 15.27 C

ATOM 4212 CG LYS B 604 -5.067 -25.408 69.719 1.00 17.91 C

ATOM 4213 CD LYS B 604 -6.213 -26.350 70.029 1.00 19.16 C

ATOM 4214 CE LYS B 604 -5.719 -27.595 70.745 1.00 20.37 C

ATOM 4215 NZ LYS B 604 -6.866 -28.380 71.289 1.00 22.41 N

ATOM 4216 N PRO B 605 -6.984 -22.884 67.126 1.00 17.41 N

ATOM 4217 CA PRO B 605 -8.340 -22.352 67.302 1.00 17.63 C

ATOM 4218 C PRO B 605 -9.021 -23.066 68.466 1.00 16.27 C

ATOM 4219 O PRO B 605 -8.802 -24.260 68.633 1.00 16.95 O

ATOM 4220 CB PRO B 605 -9.030 -22.688 65.972 1.00 18.40 C

ATOM 4221 CG PRO B 605 -8.127 -23.681 65.293 1.00 17.93 C

ATOM 4222 CD PRO B 605 -6.745 -23.381 65.760 1.00 17.32 C

ATOM 4223 N PRO B 606 -9.834 -22.362 69.251 1.00 15.81 N

ATOM 4224 CA PRO B 606 -10.223 -20.977 68.971 1.00 14.75 C

ATOM 4225 C PRO B 606 -9.380 -19.934 69.705 1.00 14.04 C

ATOM 4226 O PRO B 606 -9.799 -18.778 69.806 1.00 13.70 O

ATOM 4227 CB PRO B 606 -11.647 -20.930 69.512 1.00 14.46 C

ATOM 4228 CG PRO B 606 -11.616 -21.889 70.698 1.00 16.25 C

ATOM 4229 CD PRO B 606 -10.467 -22.865 70.481 1.00 16.10 C

ATOM 4230 N TYR B 607 -8.217 -20.332 70.208 1.00 12.92 N

ATOM 4231 CA TYR B 607 -7.366 -19.425 70.979 1.00 10.92 C

ATOM 4232 C TYR B 607 -6.577 -18.455 70.092 1.00 10.86 C

ATOM 4233 O TYR B 607 -5.968 -18.855 69.101 1.00 12.09 O

ATOM 4234 CB TYR B 607 -6.421 -20.221 71.871 1.00 8.22 C

ATOM 4235 CG TYR B 607 -7.111 -21.341 72.600 1.00 9.82 C

ATOM 4236 CD1 TYR B 607 -6.967 -22.664 72.189 1.00 9.04 C

ATOM 4237 CD2 TYR B 607 -7.927 -21.077 73.697 1.00 9 68 C

ATOM 4238 CE1 TYR B 607 -7.611 -23.689 72.857 1.00 9.48 C

ATOM 4239 CE2 TYR B 607 -8.569 -22.088 74.367 1.00 9.40 C

ATOM 4240 CZ TYR B 607 -8.409 -23.392 73.944 1.00 9.76 C

ATOM 4241 OH TYR B 607 -9.052 -24.400 74.618 1.00 12.39 O

ATOM 4242 N PRO B 608 -6.590 -17.177 70.453 1.00 10.54 N

ATOM 4243 CA PRO B 608 -5.801 -16.169 69.732 1.00 10.09 C

ATOM 4244 C PRO B 608 -4.299 -16.408 69.904 1.00 10.15 C

ATOM 4245 O PRO B 608 -3.874 -16.958 70.924 1.00 7.99 O

ATOM 4246 CB PRO B 608 -6.213 -14.849 70.399 1.00 10.69 C

ATOM 4247 CG PRO B 608 -6.735 -15.237 71.744 1.00 12.51 C

ATOM 4248 CD PRO B 608 -7.342 -16.609 71.586 1.00 10.41 C

ATOM 4249 N ARG B 609 -3.513 -16.007 68.909 1.00 11.22 N

ATOM 4250 CA ARG B 609 -2.059 -16.119 68.969 1.00 13.72 C

ATOM 4251 C ARG B 609 -1.504 -15.524 70.258 1.00 12.56 C

ATOM 4252 O ARG B 609 -1.966 -14.479 70.714 1.00 11.40 O

ATOM 4253 CB ARG B 609 -1.421 -15.408 67.772 1.00 16.60 C

ATOM 4254 N GLY B 610 -0.514 -16.194 70.840 1.00 10.73 N

ATOM 4255 CA GLY B 610 0.128 -15.705 72.047 1.00 9.04 C

ATOM 4256 C GLY B 610 -0.766 -15.629 73.278 1.00 9.74 C

ATOM 4257 O GLY B 610 -0.676 -14.681 74.060 1.00 11.97 O

ATOM 4258 N SER B 611 -1.623 -16.626 73.467 1.00 8.04 N

ATOM 4259 CA SER B 611 -2.512 -16.649 74.620 1.00 8.28 C

ATOM 4260 C SER B 611 -1.755 -17.002 75.899 1.00 9.00 C

ATOM 4261 O SER B 611 -2.089 -16.513 76.983 1.00 8.98 O

ATOM 4262 CB SER B 611 -3.657 -17.643 74.399 1.00 9.27 C

ATOM 4263 OG SER B 611 -4.594 -17.138 73.464 1.00 12.17 O

ATOM 4264 N VAL B 612 -0.744 -17.863 75.786 1.00 7.52 N

ATOM 4265 CA VAL B 612 0.088 -18.178 76.945 1.00 6.15 C

ATOM 4266 C VAL B 612 1.299 -17.256 76.929 1.00 5.97 C

ATOM 4267 O VAL B 612 2.051 -17.257 75.970 1.00 5.49 O

ATOM 4268 CB VAL B 612 0.529 -19.668 76.979 1.00 5.72 C

ATOM 4269 CG1 VAL B 612 1.423 -19.945 78.192 1.00 4.91 C

ATOM 4270 CG2 VAL B 612 -0.684 -20.589 77.010 1.00 3.51 C

ATOM 4271 N THR B 613 1.468 -16.457 77.985 1.00 6.61 N

ATOM 4272 CA THR B 613 2.550 -15.472 78.044 1.00 6.95 C

ATOM 4273 C THR B 613 3.523 -15.755 79.175 1.00 7.49 C

ATOM 4274 O THR B 613 3.309 -16.645 79.994 1.00 8.87 O

ATOM 4275 CB THR B 613 2.000 -14.040 78.238 1.00 6.32 C

ATOM 4276 OG1 THR B 613 1.376 -13.949 79.523 1.00 6.88 O

ATOM 4277 CG2 THR B 613 0.877 -13.732 77.265 1.00 5.69 C

ATOM 4278 N ALA B 614 4.583 -14.962 79.225 1.00 5.73 N

ATOM 4279 CA ALA B 614 5.585 -15.075 80.270 1.00 6.63 C

ATOM 4280 C ALA B 614 5.032 -14.687 81.644 1.00 6.50 C

ATOM 4281 O ALA B 614 5.687 -14.901 82.659 1.00 9.38 O

ATOM 4282 CB ALA B 614 6.812 -14.229 79.921 1.00 3.20 C

ATOM 4283 N ASN B 615 3.834 -14.116 81.681 1.00 5.90 N

ATOM 4284 CA ASN B 615 3.188 -13.812 82.960 1.00 6.26 C

ATOM 4285 C ASN B 615 2.242 -14.913 83.431 1.00 6.30 C

ATOM 4286 O ASN B 615 1.373 -14.677 84.257 1.00 8.07 O

ATOM 4287 CB ASN B 615 2.430 -12.491 82.881 1.00 6.72 C

ATOM 4288 CG ASN B 615 3.330 -11.335 82.547 1.00 6.61 C

ATOM 4289 OD1 ASN B 615 4.329 -11.096 83.225 1.00 5.61 O

ATOM 4290 ND2 ASN B 615 2.990 -10.611 81.491 1.00 6.04 N

ATOM 4291 N MET B 616 2.426 -16.115 82.901 1.00 5.95 N

ATOM 4292 CA MET B 616 1.591 -17.253 83.242 1.00 7.04 C

ATOM 4293 C MET B 616 2.444 -18.490 83.488 1.00 5.55 C

ATOM 4294 O MET B 616 3.511 -18.630 82.904 1.00 3.34 O

ATOM 4295 CB MET B 616 0.625 -17.550 82.095 1.00 7.58 C

ATOM 4296 CG MET B 616 -0.344 -16.419 81.797 1.00 8.04 C

ATOM 4297 SD MET B 616 -1.167 -16.661 80.234 1.00 8.55 S

ATOM 4298 CE MET B 616 -1.858 -15.012 79.972 1.00 7.90 C

ATOM 4299 N LEU B 617 1.977 -19.366 84.370 1.00 5.52 N

ATOM 4300 CA LEU B 617 2.518 -20.711 84.481 1.00 6.25 C

ATOM 4301 C LEU B 617 1.373 -21.685 84.279 1.00 5.28 C

ATOM 4302 O LEU B 617 0.206 -21.330 84.455 1.00 3.80 O

ATOM 4303 CB LEU B 617 3.171 -20.950 85.842 1.00 10.23 C

ATOM 4304 CG LEU B 617 2.255 -20.879 87.063 1.00 12.92 C

ATOM 4305 CD1 LEU B 617 2.484 -22.078 87.966 1.00 16.38 C

ATOM 4306 CD2 LEU B 617 2.510 -19.605 87.824 1.00 16.15 C

ATOM 4307 N CYS B 618 1.705 -22.914 83.912 1.00 4.26 N

ATOM 4308 CA CYS B 618 0.696 -23.924 83.665 1.00 5.80 C

ATOM 4309 C CYS B 618 0.868 -25.105 84.588 1.00 7.92 C

ATOM 4310 O CYS B 618 1.986 -25.430 84.996 1.00 7.86 O

ATOM 4311 CB CYS B 618 0.787 -24.402 82.229 1.00 7.35 C

ATOM 4312 SG CYS B 618 0.645 -23.073 81.033 1.00 8.45 S

ATOM 4313 N ALA B 619 -0.243 -25.766 84.891 1.00 7.34 N

ATOM 4314 CA ALA B 619 -0.222 -26.893 85.806 1.00 7.04 C

ATOM 4315 C ALA B 619 -1.351 -27.854 85.467 1.00 7.19 C

ATOM 4316 O ALA B 619 -2.457 -27.432 85.136 1.00 6.20 O

ATOM 4317 CB ALA B 619 -0.337 -26.401 87.249 1.00 5.53 C

ATOM 4318 N GLY B 620 -1.060 -29.150 85.529 1.00 8.21 N

ATOM 4319 CA GLY B 620 -2.047 -30.170 85.229 1.00 8.44 C

ATOM 4320 C GLY B 620 -1.421 -31.440 84.690 1.00 9.48 C

ATOM 4321 O GLY B 620 -0.200 -31.569 84.647 1.00 9.70 O

ATOM 4322 N LEU B 621 -2.265 -32.378 84.273 1.00 9.55 N

ATOM 4323 CA LEU B 621 -1.801 -33.658 83.756 1.00 11.71 C

ATOM 4324 C LEU B 621 -2.005 -33.729 82.255 1.00 14.84 C

ATOM 4325 O LEU B 621 -2.843 -33.023 81.698 1.00 14.66 O

ATOM 4326 CB LEU B 621 -2.548 -34.812 84.428 1.00 9.27 C

ATOM 4327 CG LEU B 621 -2.507 -34.828 85.953 1.00 9.19 C

ATOM 4328 CD1 LEU B 621 -3.218 -36.056 86.505 1.00 7.33 C

ATOM 4329 CD2 LEU B 621 -1.061 -34.802 86.394 1.00 8.81 C

ATOM 4330 N GLU B 622 -1.231 -34.589 81.606 1.00 18.10 N

ATOM 4331 CA GLU B 622 -1.435 -34.896 80.199 1.00 22.09 C

ATOM 4332 C GLU B 622 -2.799 -35.536 79.947 1.00 21.79 C

ATOM 4 333 O GLU B 622 -3.358 -35.412 78.852 1.00 22.88 O

ATOM 4334 CB GLU B 622 -0.338 -35.838 79.714 1.00 24.84 C

ATOM 4335 CG GLU B 622 1.019 -35.172 79.593 1.00 29.82 C

ATOM 4336 CD GLU B 622 1.302 -34.734 78.174 1.00 33.10 C

ATOM 4337 OE1 GLU B 622 0.469 -33.990 77.608 1.00 33.72 O

ATOM 4338 OE2 GLU B 622 2.349 -35.144 77.622 1.00 34.41 O

ATOM 4339 N SER B 623 -3.322 -36.227 80.957 1.00 20.21 N

ATOM 4340 CA SER B 623 -4.577 -36.969 80.833 1.00 19.14 C

ATOM 4341 C SER B 623 -5.798 -36.102 81.111 1.00 19.12 C

ATOM 4342 O SER B 623 -6.914 -36.453 80.729 1.00 19.45 O

ATOM 4343 CB SER B 623 -4.587 -38.146 81.805 1.00 20.01 C

ATOM 4344 OG SER B 623 -4.726 -37.685 83.144 1.00 21.06 O

ATOM 4345 N GLY B 624 -5.582 -34.980 81.794 1.00 17.34 N

ATOM 4346 CA GLY B 624 -6.668 -34.101 82.181 1.00 15.85 C

ATOM 4347 C GLY B 624 -7.316 -34.479 83.505 1.00 15.70 C

ATOM 4348 O GLY B 624 -8.248 -33.814 83.958 1.00 14.56 O

ATOM 4349 N GLY B 625 -6.813 -35.533 84.140 1.00 14.39 N

ATOM 4350 CA GLY B 625 -7.420 -36.058 85.355 1.00 14.71 C

ATOM 4351 C GLY B 625 -7.531 -35.123 86.551 1.00 13.39 C

ATOM 4352 O GLY B 625 -8.344 -35.352 87.445 1.00 12.90 O

ATOM 4353 N LYS B 626 -6.711 -34.078 86.585 1.00 13.64 N

ATOM 4354 CA LYS B 626 -6.718 -33.139 87.705 1.00 13.28 C

ATOM 4355 C LYS B 626 -6.638 -31.711 87.181 1.00 14.50 C

ATOM 4356 O LYS B 626 -5.774 -31.401 86.361 1.00 15.59 O

ATOM 4357 CB LYS B 626 -5.538 -33.399 88.636 1.00 13.36 C

ATOM 4358 CG LYS B 626 -5.585 -34.703 89.420 1.00 13.04 C

ATOM 4359 CD LYS B 626 -4.216 -34.986 90.044 1.00 13.32 C

ATOM 4360 CE LYS B 626 -4.331 -35.596 91.427 1.00 14.47 C

ATOM 4361 NZ LYS B 626 -3.021 -35.599 92.146 1.00 14.72 N

ATOM 4362 N ASP B 627 -7.520 -30.837 87.658 1.00 13.63 N

ATOM 4363 CA ASP B 627 -7.676 -29.524 87.036 1.00 12.46 C

ATOM 4364 C ASP B 627 -8.451 -28.574 87.938 1.00 11.18 C

ATOM 4365 O ASP B 627 -9.098 -29.005 88.893 1.00 11.53 O

ATOM 4366 CB ASP B 627 -8.415 -29.679 85.701 1.00 12.51 C

ATOM 4367 CG ASP B 627 -8.112 -28.557 84.712 1.00 14.93 C

ATOM 4368 OD1 ASP B 627 -7.301 -27.646 85.019 1.00 13.55 O

ATOM 4369 OD2 ASP B 627 -8.661 -28.511 83.591 1.00 15.77 O

ATOM 4370 N SER B 628 -8.367 -27.281 87.641 1.00 9.25 N

ATOM 4371 CA SER B 628 -9.253 -26.298 88.249 1.00 10.01 C

ATOM 4372 C SER B 628 -10.230 -25.860 87.168 1.00 10.57 C

ATOM 4373 O SER B 628 -9.878 -25.852 85.985 1.00 10.44 O

ATOM 4374 CB SER B 628 -8.462 -25.107 88.806 1.00 9.50 C

ATOM 4375 OG SER B 628 -7.597 -24.557 87.832 1.00 11.01 O

ATOM 4376 N CYS B 629 -11.461 -25.530 87.555 1.00 10.91 N

ATOM 4377 CA CYS B 629 -12.515 -25.271 86.571 1.00 12.10 C

ATOM 4378 C CYS B 629 -13.231 -23.959 86.779 1.00 12.28 C

ATOM 4379 O CYS B 629 -12.912 -23.207 87.695 1.00 13.84 O

ATOM 4380 CB CYS B 629 -13.570 -26.371 86.616 1.00 12.69 C

ATOM 4381 SG CYS B 629 -12.905 -28.019 86.807 1.00 17.23 S

ATOM 4382 N ARG B 630 -14.210 -23.704 85.912 1.00 12.02 N

ATOM 4383 CA ARG B 630 -15.189 -22.652 86.135 1.00 13.53 C

ATOM 4384 C ARG B 630 -15.610 -22.645 87.613 1.00 12.51 C

ATOM 4385 O ARG B 630 -15.971 -23.690 88.180 1.00 10.67 O

ATOM 4386 CB ARG B 630 -16.405 -22.888 85.239 1.00 14.96 C

ATOM 4387 CG ARG B 630 -17.491 -21.826 85.346 1.00 19.97 C

ATOM 4388 CD ARG B 630 -18.115 -21.443 84.007 1.00 21.89 C

ATOM 4389 NE ARG B 630 -19.531 -21.109 84.129 1.00 24.02 N

ATOM 4390 CZ ARG B 630 -20.211 -20.401 83.231 1.00 26.52 C

ATOM 4391 NH1 ARG B 630 -19.602 -19.951 82.141 1.00 28.58 N

ATOM 4392 NH2 ARG B 630 -21.503 -20.143 83.417 1.00 26.20 N

ATOM 4393 N GLY B 631 -15.544 -21.474 88.237 1.00 8.83 N

ATOM 4394 CA GLY B 631 -15.896 -21.345 89.639 1.00 7.90 C

ATOM 4395 C GLY B 631 -14.684 -21.333 90.553 1.00 8.05 C

ATOM 4396 O GLY B 631 -14.764 -20.881 91.699 1.00 4.60 O

ATOM 4397 N ASP B 632 -13.559 -21.832 90.044 1.00 6.68 N

ATOM 4398 CA ASP B 632 -12.315 -21.848 90.798 1.00 8.43 C

ATOM 4399 C ASP B 632 -11.541 -20.538 90.601 1.00 9.33 C

ATOM 4400 O ASP B 632 -10.567 -20.277 91.302 1.00 7.33 O

ATOM 4401 CB ASP B 632 -11.448 -23.038 90.380 1.00 7.57 C

ATOM 4402 CG ASP B 632 -11.975 -24.354 90.910 1.00 7.65 C

ATOM 4403 OD1 ASP B 632 -11.921 -25.363 90.171 1.00 7.32 O

ATOM 4404 OD2 ASP B 632 -12.450 -24.473 92.061 1.00 6.40 O

ATOM 4405 N SER B 633 -12.004 -19.736 89.640 1.00 8.72 N

ATOM 4406 CA SER B 633 -11.417 -18.446 89.286 1.00 9.00 C

ATOM 4407 C SER B 633 -10.988 -17.625 90.483 1.00 8.28 C

ATOM 4408 O SER B 633 -11.774 -17.406 91.409 1.00 8.56 O

ATOM 4409 CB SER B 633 -12.423 -17.623 88.481 1.00 8.54 C

ATOM 4410 OG SER B 633 -12.657 -18.195 87.209 1.00 12.80 O

ATOM 4411 N GLY B 634 -9.744 -17.156 90.451 1.00 7.43 N

ATOM 4412 CA GLY B 634 -9.243 -16.266 91.483 1.00 7.48 C

ATOM 4413 C GLY B 634 -8.537 -16.982 92.619 1.00 8.57 C

ATOM 4414 O GLY B 634 -7.812 -16.353 93.393 1.00 9.69 O

ATOM 4415 N GLY B 635 -8.739 -18.295 92.719 1.00 6.80 N

ATOM 4416 CA GLY B 635 -8.100 -19.081 93.758 1.00 6.37 C

ATOM 4417 C GLY B 635 -6.584 -19.062 93.682 1.00 7.45 C

ATOM 4418 O GLY B 635 -6.013 -18.944 92.601 1.00 9.03 O

ATOM 4419 N ALA B 636 -5.936 -19.196 94.836 1.00 6.05 N

ATOM 4420 CA ALA B 636 -4.480 -19.296 94.906 1.00 6.09 C

ATOM 4421 C ALA B 636 -4.008 -20.719 94.623 1.00 6.34 C

ATOM 4422 O ALA B 636 -4.468 -21.678 95.259 1.00 5.15 O

ATOM 4423 CB ALA B 636 -3.963 -18.828 96.298 1.00 4.52 C

ATOM 4424 N LEU B 637 -3.104 -20.850 93.655 1.00 6.46 N

ATOM 4425 CA LEU B 637 -2.344 -22.078 93.471 1.00 6.71 C

ATOM 4426 C LEU B 637 -1.152 -21.979 94.411 1.00 6.20 C

ATOM 4427 O LEU B 637 -0.267 -21.153 94.207 1.00 7.47 O

ATOM 4428 CB LEU B 637 -1.880 -22.229 92.017 1.00 7.02 C

ATOM 4429 CG LEU B 637 -1.121 -23.510 91.638 1.00 6.98 C

ATOM 4430 CD1 LEU B 637 -2.055 -24.702 91.577 1.00 6.80 C

ATOM 4431 CD2 LEU B 637 -0.369 -23.343 90.308 1.00 6.87 C

ATOM 4432 N VAL B 638 -1.151 -22.802 95.455 1.00 5.56 N

ATOM 4433 CA VAL B 638 -0.159 -22.698 96.519 1.00 5.96 C

ATOM 4434 C VAL B 638 0.931 -23.760 96.427 1.00 7.82 C

ATOM 4435 O VAL B 638 0.704 -24.859 95.901 1.00 8.38 O

ATOM 4436 CB VAL B 638 -0.828 -22.753 97.929 1.00 5.98 C

ATOM 4437 CG1 VAL B 638 -1.640 -21.498 98.178 1.00 7.84 C

ATOM 4438 CG2 VAL B 638 -1.714 -23.984 98.069 1.00 4.00 C

ATOM 4439 N PHE B 639 2.112 -23.419 96.944 1.00 6.17 N

ATOM 4440 CA PHE B 639 3.244 -24.332 96.992 1.00 5.63 C

ATOM 4441 C PHE B 639 3.853 -24.306 98.392 1.00 6.09 C

ATOM 4442 O PHE B 639 3.737 -23.305 99.099 1.00 6.00 O

ATOM 4443 CB PHE B 639 4.305 -23.917 95.967 1.00 6.35 C

ATOM 4444 CG PHE B 639 3.821 -23.958 94.542 1.00 8.03 C

ATOM 4445 CD1 PHE B 639 3.036 -22.933 94.029 1.00 6.77 C

ATOM 4446 CD2 PHE B 639 4.143 -25.026 93.719 1.00 8.33 C

ATOM 4447 CE1 PHE B 639 2.586 -22.975 92.727 1.00 7.91 C

ATOM 4448 CE2 PHE B 639 3.695 -25.072 92.408 1.00 8.44 C

ATOM 4449 CZ PHE B 639 2.914 -24.052 91.914 1.00 7.20 C

ATOM 4450 N LEU B 640 4.507 -25.393 98.789 1.00 6.07 N

ATOM 4451 CA LEU B 640 5.143 -25.455 100.101 1.00 7.37 C

ATOM 4452 C LEU B 640 6.641 -25.136 100.052 1.00 8.38 C

ATOM 4453 O LEU B 640 7.422 -25.848 99.422 1.00 10.52 O

ATOM 4454 CB LEU B 640 4.916 -26.819 100.759 1.00 5.79 C

ATOM 4455 CG LEU B 640 5.660 -27.111 102.071 1.00 8.34 C

ATOM 4456 CD1 LEU B 640 5.190 -26.192 103.196 1.00 6.70 C

ATOM 4457 CD2 LEU B 640 5.505 -28.583 102.480 1.00 7.86 C

ATOM 4458 N ASP B 641 7.034 -24.063 100.727 1.00 7.83 N

ATOM 4459 CA ASP B 641 8.441 -23.794 100.980 1.00 8.17 C

ATOM 4460 C ASP B 641 8.869 -24.776 102.058 1.00 8.40 C

ATOM 4461 O ASP B 641 8.561 -24.579 103.239 1.00 8.44 O

ATOM 4462 CB ASP B 641 8.607 -22.353 101.465 1.00 8.95 C

ATOM 4463 CG ASP B 641 10.049 -21.980 101.755 1.00 10.20 C

ATOM 4464 OD1 ASP B 641 10.856 -22.845 102.161 1.00 9.08 O

ATOM 4465 OD2 ASP B 641 10.459 -20.813 101.612 1.00 12.64 O

ATOM 4466 N SER B 642 9.563 -25.839 101.656 1.00 8.34 N

ATOM 4467 CA SER B 642 9.920 -26.915 102.578 1.00 9.42 C

ATOM 4468 C SER B 642 10.946 -26.509 103.638 1.00 9.92 C

ATOM 4469 O SER B 642 11.182 -27.250 104.594 1.00 9.59 O

ATOM 4470 CB SER B 642 10.426 -28.135 101.811 1.00 9.92 C

ATOM 4471 OG SER B 642 11.603 -27.815 101.098 1.00 11.42 O

ATOM 4472 N GLU B 643 11.553 -25.339 103.471 1.00 9.75 N

ATOM 4473 CA GLU B 643 12.543 -24.872 104.432 1.00 10.19 C

ATOM 4474 C GLU B 643 11.920 -24.034 105.553 1.00 9.53 C

ATOM 4475 O GLU B 643 12.270 -24.199 106.723 1.00 9.00 O

ATOM 4476 CB GLU B 643 13.670 -24.105 103.731 1.00 9.28 C

ATOM 4477 CG GLU B 643 14.644 -24.991 102.968 1.00 12.13 C

ATOM 4478 CD GLU B 643 15.400 -25.968 103.862 1.00 12.04 C

ATOM 4479 OE1 GLU B 643 15.819 -25.580 104.968 1.00 12.50 O

ATOM 4480 OE2 GLU B 643 15.579 -27.132 103.456 1.00 13.36 O

ATOM 4481 N THR B 644 11.006 -23.135 105.197 1.00 9.85 N

ATOM 4482 CA THR B 644 10.290 -22.360 106.207 1.00 11.77 C

ATOM 4483 C THR B 644 9.091 -23.147 106.708 1.00 12.54 C

ATOM 4484 O THR B 644 8.569 -22.877 107.788 1.00 14.50 O

ATOM 4485 CB THR B 644 9.820 -20.992 105.654 1.00 11.24 C

ATOM 4486 OG1 THR B 644 8.929 -21.196 104.545 1.00 11.49 O

ATOM 4487 CG2 THR B 644 10.989 -20.215 105.057 1.00 8.98 C

ATOM 4488 N GLU B 645 8.661 -24.120 105.912 1.00 12.19 N

ATOM 4489 CA GLU B 645 7.486 -24.921 106.231 1.00 13.61 C

ATOM 4490 C GLU B 645 6.230 -24.067 106.218 1.00 11.15 C

ATOM 4491 O GLU B 645 5.332 -24.254 107.028 1.00 11.62 O

ATOM 4492 CB GLU B 645 7.652 -25.631 107.575 1.00 15.47 C

ATOM 4493 CG GLU B 645 8.744 -26.686 107.567 1.00 19.25 C

ATOM 4494 CD GLU B 645 8.774 -27.502 108.844 1.00 21.70 C

ATOM 4495 OE1 GLU B 645 8.752 -26.898 109.938 1.00 22.25 O

ATOM 4496 OE2 GLU B 645 8.819 -28.748 108.754 1.00 22.92 O

ATOM 4497 N ARG B 646 6.187 -23.128 105.283 1.00 9.09 N

ATOM 4498 CA ARG B 646 5.047 -22.247 105.105 1.00 9.36 C

ATOM 4499 C ARG B 646 4.608 -22.320 103.659 1.00 9.86 C

ATOM 4500 O ARG B 646 5.439 -22.404 102.754 1.00 10.27 O

ATOM 4501 CB ARG B 646 5.427 -20.803 105.451 1.00 9.13 C

ATOM 4502 CG ARG B 646 5.824 -20.591 106.906 1.00 12.31 C

ATOM 4503 CD ARG B 646 4.720 -20.915 107.899 1.00 16.11 C

ATOM 4504 NE ARG B 646 5.224 -21.028 109.268 1.00 21.85 N

ATOM 4505 CZ ARG B 646 5.580 -19.992 110.024 1.00 24.46 C

ATOM 4506 NH1 ARG B 646 5.492 -18.750 109.556 1.00 24.46 N

ATOM 4507 NH2 ARG B 646 6.026 -20.198 111.256 1.00 24.99 N

ATOM 4508 N TRP B 647 3.302 -22.293 103.442 1.00 8.52 N

ATOM 4509 CA TRP B 647 2.754 -22.307 102.097 1.00 8.73 C

ATOM 4510 C TRP B 647 2.787 -20.896 101.518 1.00 9.24 C

ATOM 4511 O TRP B 647 2.714 -19.915 102.257 1.00 8.56 O

ATOM 4512 CB TRP B 647 1.315 -22.839 102.123 1.00 9.45 C

ATOM 4513 CG TRP B 647 1.226 -24.316 102.421 1.00 9.72 C

ATOM 4514 CD1 TRP B 647 1.179 -24.912 103.657 1.00 9.24 C

ATOM 4515 CD2 TRP B 647 1.172 -25.383 101.464 1.00 9.37 C

ATOM 4516 NE1 TRP B 647 1.102 -26.279 103.521 1.00 9.06 N

ATOM 4517 CE2 TRP B 647 1.098 -26.595 102.186 1.00 9.15 C

ATOM 4518 CE3 TRP B 647 1.173 -25.438 100.065 1.00 8.71 C

ATOM 4519 CZ2 TRP B 647 1.035 -27.841 101.556 1.00 10.16 C

ATOM 4520 CZ3 TRP B 647 1.119 -26.675 99.443 1.00 8.89 C

ATOM 4521 CH2 TRP B 647 1.048 -27.858 100.186 1.00 9.51 C

ATOM 4522 N PHE B 648 2.911 -20.793 100.197 1.00 9.03 N

ATOM 4523 CA PHE B 648 2.891 -19.490 99.537 1.00 8.05 C

ATOM 4524 C PHE B 648 2.116 -19.561 98.233 1.00 8.65 C

ATOM 4525 O PHE B 648 1.905 -20.644 97.681 1.00 9.63 O

ATOM 4526 CB PHE B 648 4.316 -18.939 99.315 1.00 8.12 C

ATOM 4527 CG PHE B 648 5.113 -19.690 98.279 1.00 7.38 C

ATOM 4528 CD1 PHE B 648 5.012 -19.363 96.938 1.00 6.44 C

ATOM 4529 CD2 PHE B 648 5.960 -20.727 98.654 1.00 7.26 C

ATOM 4530 CE1 PHE B 648 5.738 -20.055 95.979 1.00 6.79 C

ATOM 4531 CE2 PHE B 648 6.697 -21.422 97.705 1.00 6.40 C

ATOM 4532 CZ PHE B 648 6.583 -21.087 96.361 1.00 6.05 C

ATOM 4533 N VAL B 649 1.685 -18.405 97.740 1.00 8.60 N

ATOM 4534 CA VAL B 649 0.908 -18.360 96.507 1.00 8.14 C

ATOM 4535 C VAL B 649 1.833 -18.144 95.320 1.00 9.05 C

ATOM 4536 O VAL B 649 2.495 -17.116 95.212 1.00 9.94 O

ATOM 4537 CB VAL B 649 -0.202 -17.272 96.554 1.00 7.71 C

ATOM 4538 CG1 VAL B 649 0.352 -15.933 97.061 1.00 6.17 C

ATOM 4539 CG2 VAL B 649 -0.876 -17.122 95.185 1.00 5.77 C

ATOM 4540 N GLY B 650 1.896 -19.130 94.440 1.00 7.18 N

ATOM 4541 CA GLY B 650 2.705 -19.002 93.250 1.00 6.07 C

ATOM 4542 C GLY B 650 1.866 -18.708 92.024 1.00 4.95 C

ATOM 4543 O GLY B 650 2.382 -18.212 91.021 1.00 3.87 O

ATOM 4544 N GLY B 651 0.574 -19.023 92.105 1.00 4.64 N

ATOM 4545 CA GLY B 651 -0.330 -18.834 90.984 1.00 5.69 C

ATOM 4546 C GLY B 651 -1.737 -18.418 91.363 1.00 7.09 C

ATOM 4547 O GLY B 651 -2.157 -18.569 92.516 1.00 9 23 O

ATOM 4548 N ILE B 652 -2.457 -17.868 90.387 1.00 7.17 N

ATOM 4549 CA ILE B 652 -3.863 -17.519 90.542 1.00 6.94 C

ATOM 4550 C ILE B 652 -4.652 -18.223 89.448 1.00 8.31 C

ATOM 4551 O ILE B 652 -4.261 -18.166 88.280 1.00 8.20 O

ATOM 4552 CB ILE B 652 -4.063 -15.990 90.427 1.00 7.23 C

ATOM 4553 CG1 ILE B 652 -3.376 -15.263 91.584 1.00 6.52 C

ATOM 4554 CG2 ILE B 652 -5.559 -15.641 90.401 1.00 7.43 C

ATOM 4555 CD1 ILE B 652 -3.200 -13.770 91.343 1.00 5.45 C

ATOM 4556 N VAL B 653 -5.740 -18.901 89.819 1.00 7.41 N

ATOM 4557 CA VAL B 653 -6.585 -19.580 88.836 1.00 5.84 C

ATOM 4558 C VAL B 653 -7.102 -18.573 87.814 1.00 7.58 C

ATOM 4559 O VAL B 653 -7.887 -17.681 88.144 1.00 8.69 O

ATOM 4560 CB VAL B 653 -7.777 -20.344 89.483 1.00 5.95 C

ATOM 4561 CG1 VAL B 653 -8.682 -20.939 88.403 1.00 2.70 C

ATOM 4562 CG2 VAL B 653 -7.279 -21.460 90.420 1.00 2.80 C

ATOM 4563 N SER B 654 -6.657 -18.712 86.568 1.00 6.47 N

ATOM 4564 CA SER B 654 -6.951 -17.704 85.561 1.00 7.38 C

ATOM 4565 C SER B 654 -7.797 -18.233 84.385 1.00 7.68 C

ATOM 4566 O SER B 654 -8.920 -17.780 84.175 1.00 9.39 O

ATOM 4567 CB SER B 654 -5.647 -17.057 85.065 1.00 6.48 C

ATOM 4568 OG SER B 654 -5.890 -16.172 83.985 1.00 4.85 O

ATOM 4569 N TRP B 655 -7.260 -19.171 83.613 1.00 5.91 N

ATOM 4570 CA TRP B 655 -7.978 -19.686 82.448 1.00 5.90 C

ATOM 4571 C TRP B 655 -7.490 -21.061 81.999 1.00 5.89 C

ATOM 4572 O TRP B 655 -6.561 -21.623 82.569 1.00 7.30 O

ATOM 4573 CB TRP B 655 -7.926 -18.698 81.281 1.00 4.63 C

ATOM 4574 CG TRP B 655 -6.570 -18.546 80.671 1.00 5.14 C

ATOM 4575 CD1 TRP B 655 -5.523 -17.832 81.175 1.00 3.76 C

ATOM 4576 CD2 TRP B 655 -6.110 -19.118 79.437 1.00 4.95 C

ATOM 4577 NE1 TRP B 655 -4.440 -17.927 80.336 1.00 3.91 N

ATOM 4578 CE2 TRP B 655 -4.773 -18.710 79.260 1.00 4.82 C

ATOM 4579 CE3 TRP B 655 -6.689 -19.951 78.469 1.00 5.39 C

ATOM 4580 CZ2 TRP B 655 -4.008 -19.094 78.152 1.00 4.89 C

ATOM 4581 CZ3 TRP B 655 -5.934 -20.328 77.365 1.00 5.05 C

ATOM 4582 CH2 TRP B 655 -4.607 -19.903 77.218 1.00 5.65 C

ATOM 4583 N GLY B 656 -8.145 -21.595 80.979 1.00 7.16 N

ATOM 4584 CA GLY B 656 -7.826 -22.909 80.452 1.00 8.72 C

ATOM 4585 C GLY B 656 -8.822 -23.182 79.351 1.00 10.20 C

ATOM 4586 O GLY B 656 -9.531 -22.272 78.942 1.00 9.32 O

ATOM 4587 N SER B 657 -8.873 -24.414 78.856 1.00 12.03 N

ATOM 4588 CA SER B 657 -9.866 -24.764 77.846 1.00 12.56 C

ATOM 4589 C SER B 657 -11.250 -24.785 78.490 1.00 13.45 C

ATOM 4590 O SER B 657 -11.377 -24.936 79.712 1.00 12.28 O

ATOM 4591 CB SER B 657 -9.537 -26.108 77.177 1.00 13.54 C

ATOM 4592 OG SER B 657 -9.854 -27.215 78.008 1.00 13.15 O

ATOM 4593 N MET B 658 -12.272 -24.612 77.660 1.00 14.68 N

ATOM 4594 CA MET B 658 -13.664 -24.525 78.095 1.00 17.19 C

ATOM 4595 C MET B 658 -14.123 -25.765 78.868 1.00 16.32 C

ATOM 4596 O MET B 658 -14.804 -25.659 79.888 1.00 17.64 O

ATOM 4597 CB MET B 658 -14.547 -24.318 76.868 1.00 20.71 C

ATOM 4598 CG MET B 658 -15.957 -23.838 77.141 1.00 24.67 C

ATOM 4599 SD MET B 658 -16.826 -23.695 75.560 1.00 28.68 S

ATOM 4600 CE MET B 658 -15.491 -24.007 74.412 1.00 27.83 C

ATOM 4601 N ASN B 659 -13.757 -26.943 78.375 1.00 14.77 N

ATOM 4602 CA ASN B 659 -14.079 -28.180 79.074 1.00 15.33 C

ATOM 4603 C ASN B 659 -13.048 -28.509 80.143 1.00 14.28 C

ATOM 4604 O ASN B 659 -11.852 -28.558 79.862 1.00 13.98 O

ATOM 4605 CB ASN B 659 -14.204 -29.333 78.081 1.00 15.55 C

ATOM 4606 CG ASN B 659 -15.343 -29.127 77.108 1.00 16.66 C

ATOM 4607 OD1 ASN B 659 -16.508 -29.070 77.505 1.00 17.25 O

ATOM 4608 ND2 ASN B 659 -15.015 -28.994 75.831 1.00 15.37 N

ATOM 4609 N CYS B 660 -13.509 -28.725 81.370 1.00 13.58 N

ATOM 4610 CA CYS B 660 -12.588 -28.978 82.474 1.00 14.45 C

ATOM 4611 C CYS B 660 -12.042 -30.400 82.496 1.00 14.24 C

ATOM 4612 O CYS B 660 -12.764 -31.366 82.238 1.00 13.76 O

ATOM 4613 CB CYS B 660 -13.218 -28.652 83.826 1.00 15.65 C

ATOM 4614 SG CYS B 660 -11.952 -28.362 85.083 1.00 17.43 S

ATOM 4615 N GLY B 661 -10.760 -30.513 82.821 1.00 15.34 N

ATOM 4616 CA GLY B 661 -10.093 -31.799 82.886 1.00 17.15 C

ATOM 4617 C GLY B 661 -9.904 -32.417 81.516 1.00 19.25 C

ATOM 4618 O GLY B 661 -9.872 -33.638 81.378 1.00 20.80 O

ATOM 4619 N GLU B 662 -9.797 -31.570 80.497 1.00 17.60 N

ATOM 4620 CA GLU B 662 -9.550 -32.025 79.135 1.00 17.90 C

ATOM 4621 C GLU B 662 -8.086 -32.435 78.971 1.00 16.22 C

ATOM 4622 O GLU B 662 -7.182 -31.692 79.353 1.00 14.36 O

ATOM 4623 CB GLU B 662 -9.885 -30.909 78.145 1.00 18.29 C

ATOM 4624 CG GLU B 662 -10.099 -31.392 76.725 1.00 21.78 C

ATOM 4625 CD GLU B 662 -10.350 -30.262 75.749 1.00 22.87 C

ATOM 4626 OE1 GLU B 662 -10.591 -29.121 76.197 1.00 23.67 O

ATOM 4627 OE2 GLU B 662 -10.305 -30.521 74.527 1.00 25.26 O

ATOM 4628 N ALA B 663 -7.860 -33.613 78.396 1.00 15.01 N

ATOM 4629 CA ALA B 663 -6.506 -34.133 78.191 1.00 14.79 C

ATOM 4630 C ALA B 663 -5.663 -33.197 77.324 1.00 13.93 C

ATOM 4631 O ALA B 663 -6.119 -32.734 76.280 1.00 13.33 O

ATOM 4632 CB ALA B 663 -6.558 -35.529 77.566 1.00 12.97 C

ATOM 4633 N GLY B 664 -4.440 -32.917 77.766 1.00 13.65 N

ATOM 4634 CA GLY B 664 -3.528 -32.082 77.003 1.00 13.05 C

ATOM 4635 C GLY B 664 -3.812 -30.583 77.001 1.00 14.18 C

ATOM 4636 O GLY B 664 -3.127 -29.833 76.305 1.00 14.31 O

ATOM 4637 N GLN B 665 -4.814 -30.142 77.763 1.00 12.29 N

ATOM 4638 CA GLN B 665 -5.118 -28.713 77.883 1.00 12.14 C

ATOM 4639 C GLN B 665 -4.969 -28.246 79.337 1.00 11.89 C

ATOM 4640 O GLN B 665 -5.933 -28.210 80.108 1.00 12.30 O

ATOM 4641 CB GLN B 665 -6.512 -28.377 77.333 1.00 12.46 C

ATOM 4642 CG GLN B 665 -6.783 -28.889 75.905 1.00 13.12 C

ATOM 4643 CD GLN B 665 -5.928 -28.201 74.847 1.00 13.52 C

ATOM 4644 OE1 GLN B 665 -5.564 -27.033 74.991 1.00 13.86 O

ATOM 4645 NE2 GLN B 665 -5.613 -28.925 73.780 1.00 14.19 N

ATOM 4646 N TYR B 666 -3.742 -27.885 79.685 1.00 9.50 N

ATOM 4647 CA TYR B 666 -3.363 -27.550 81.049 1.00 9.62 C

ATOM 4648 C TYR B 666 -4.035 -26.283 81.558 1.00 8.22 C

ATOM 4649 O TYR B 666 -4.339 -25.373 80.782 1.00 8.10 O

ATOM 4650 CB TYR B 666 -1.838 -27.413 81.116 1.00 10.01 C

ATOM 4651 CG TYR B 666 -1.157 -28.493 80.314 1.00 10.20 C

ATOM 4652 CD1 TYR B 666 -0.683 -28.243 79.034 1.00 10.22 C

ATOM 4653 CD2 TYR B 666 -1.033 -29.777 80.821 1.00 11.36 C

ATOM 4654 CE1 TYR B 666 -0.078 -29.239 78.287 1.00 12.25 C

ATOM 4655 CE2 TYR B 666 -0.424 -30.785 80.081 1.00 13.37 C

ATOM 4656 CZ TYR B 666 0.043 -30.509 78.816 1.00 13.01 C

ATOM 4657 OH TYR B 666 0.641 -31.503 78.080 1.00 16.73 O

ATOM 4658 N GLY B 667 -4.282 -26.245 82.864 1.00 6.07 N

ATOM 4659 CA GLY B 667 -4.756 -25.043 83.522 1.00 5.52 C

ATOM 4660 C GLY B 667 -3.682 -23.977 83.415 1.00 5.07 C

ATOM 4661 O GLY B 667 -2.486 -24.268 83.489 1.00 3.60 O

ATOM 4662 N VAL B 668 -4.100 -22.737 83.214 1.00 5.89 N

ATOM 4663 CA VAL B 668 -3.146 -21.650 83.070 1.00 6.19 C

ATOM 4664 C VAL B 668 -3.336 -20.698 84.235 1.00 7.62 C

ATOM 4665 O VAL B 668 -4.455 -20.293 84.529 1.00 9.53 O

ATOM 4666 CB VAL B 668 -3.325 -20.926 81.715 1.00 6.97 C

ATOM 4667 CG1 VAL B 668 -2.192 -19.932 81.470 1.00 4.88 C

ATOM 4668 CG2 VAL B 668 -3.395 -21.944 80.584 1.00 3.86 C

ATOM 4669 N TYR B 669 -2.243 -20.374 84.916 1.00 8.37 N

ATOM 4670 CA TYR B 669 -2.305 -19.559 86.119 1.00 7.49 C

ATOM 4671 C TYR B 669 -1.467 -18.302 85.971 1.00 8.35 C

ATOM 4672 O TYR B 669 -0.406 -18.325 85.349 1.00 9.63 O

ATOM 4673 CB TYR B 669 -1.846 -20.362 87.346 1.00 6.37 C

ATOM 4674 CG TYR B 669 -2.632 -21.635 87.550 1.00 6.31 C

ATOM 4675 CD1 TYR B 669 -2.472 -22.713 86.691 1.00 4.82 C

ATOM 4676 CD2 TYR B 669 -3.551 -21.749 88.581 1.00 7.11 C

ATOM 4677 CE1 TYR B 669 -3.190 -23.872 86.857 1.00 7.11 C

ATOM 4678 CE2 TYR B 669 -4.283 -22.911 88.764 1.00 6.32 C

ATOM 4679 CZ TYR B 669 -4.102 -23.971 87.896 1.00 7.76 C

ATOM 4680 OH TYR B 669 -4.822 -25.135 88.057 1.00 5.76 O

ATOM 4681 N THR B 670 -1.959 -17.203 86.540 1.00 8.42 N

ATOM 4682 CA THR B 670 -1.195 -15.967 86.605 1.00 8.45 C

ATOM 4683 C THR B 670 0.050 -16.227 87.425 1.00 8.81 C

ATOM 4684 O THR B 670 -0.034 -16.787 88.520 1.00 10.54 O

ATOM 4685 CB THR B 670 -2.037 -14.863 87.265 1.00 8.82 C

ATOM 4686 OG1 THR B 670 -3.248 -14.681 86.521 1.00 9.52 O

ATOM 4687 CG2 THR B 670 -1.331 -13.497 87.176 1.00 5.66 C

ATOM 4688 N LYS B 671 1.202 -15.839 86.889 1.00 7.13 N

ATOM 4689 CA LYS B 671 2.480 -16.051 87.568 1.00 7.27 C

ATOM 4690 C LYS B 671 2.728 -14.963 88.609 1.00 7.41 C

ATOM 4691 O LYS B 671 3.269 -13.902 88.291 1.00 7.69 O

ATOM 4692 CB LYS B 671 3.619 -16.073 86.549 1.00 6.03 C

ATOM 4693 CG LYS B 671 4.890 -16.733 87.055 1.00 6.90 C

ATOM 4694 CD LYS B 671 6.040 -16.530 86.070 1.00 7.37 C

ATOM 4695 CE LYS B 671 7.242 -17.359 86.467 1.00 10.50 C

ATOM 4696 NZ LYS B 671 8.051 -17.734 85.268 1.00 14.97 N

ATOM 4697 N VAL B 672 2.326 -15.240 89.847 1.00 6.04 N

ATOM 4698 CA VAL B 672 2.292 -14.239 90.910 1.00 5.20 C

ATOM 4699 C VAL B 672 3.632 -13.534 91.154 1.00 6.06 C

ATOM 4700 O VAL B 672 3.662 -12.328 91.406 1.00 7.41 O

ATOM 4701 CB VAL B 672 1.770 -14.853 92.229 1.00 4.66 C

ATOM 4702 CG1 VAL B 672 2.087 -13.956 93.411 1.00 3.26 C

ATOM 4703 CG2 VAL B 672 0.275 -15.098 92.135 1.00 3.00 C

ATOM 4704 N ILE B 673 4.733 -14.279 91.074 1.00 6.43 N

ATOM 4705 CA ILE B 673 6.046 -13.722 91.391 1.00 7.94 C

ATOM 4706 C ILE B 673 6.413 -12.562 90.460 1.00 8.41 C

ATOM 4707 O ILE B 673 7.176 -11.685 90.840 1.00 8.79 O

ATOM 4708 CB ILE B 673 7.139 -14.826 91.395 1.00 9.10 C

ATOM 4709 CG1 ILE B 673 8.396 -14.331 92.114 1.00 12.12 C

ATOM 4710 CG2 ILE B 673 7.473 -15.280 89.971 1.00 6.93 C

ATOM 4711 CD1 ILE B 673 9.211 -15.432 92.775 1.00 15.48 C

ATOM 4712 N ASN B 674 5.849 -12.553 89.253 1.00 8.81 N

ATOM 4713 CA ASN B 674 6.036 -11.448 88.315 1.00 9.76 C

ATOM 4714 C ASN B 674 5.409 -10.141 88.795 1.00 9.54 C

ATOM 4715 O ASN B 674 5.754 -9.060 88.299 1.00 8.31 O

ATOM 4716 CB ASN B 674 5.437 -11.801 86.947 1.00 10.22 C

ATOM 4717 CG ASN B 674 6.305 -12.764 86.157 1.00 13.19 C

ATOM 4718 OD1 ASN B 674 7.170 -13.437 86.718 1.00 13.62 O

ATOM 4719 ND2 ASN B 674 6.081 -12.832 84.846 1.00 13.16 N

ATOM 4720 N TYR B 675 4.486 -10.245 89.752 1.00 8.25 N

ATOM 4721 CA TYR B 675 3.661 -9.106 90.174 1.00 7.50 C

ATOM 4722 C TYR B 675 3.933 -8.646 91.598 1.00 7.59 C

ATOM 4723 O TYR B 675 3.179 -7.855 92.148 1.00 7.16 O

ATOM 4724 CB TYR B 675 2.173 -9.438 89.994 1.00 6.46 C

ATOM 4725 CG TYR B 675 1.829 -9.664 88.543 1.00 6.40 C

ATOM 4726 CD1 TYR B 675 1.816 -10.941 88.006 1.00 6.56 C

ATOM 4727 CD2 TYR B 675 1.571 -8.593 87.704 1.00 4.52 C

ATOM 4728 CE1 TYR B 675 1.533 -11.151 86.681 1.00 7.87 C

ATOM 4729 CE2 TYR B 675 1.290 -8.786 86.377 1.00 7.35 C

ATOM 4730 CZ TYR B 675 1.268 -10.067 85.865 1.00 8.48 C

ATOM 4731 OH TYR B 675 0.990 -10.253 84.535 1.00 7.48 O

ATOM 4732 N ILE B 676 5.014 -9.146 92.185 1.00 7.31 N

ATOM 4733 CA ILE B 676 5.404 -8.762 93.534 1.00 7.28 C

ATOM 4734 C ILE B 676 5.586 -7.235 93.701 1.00 8.01 C

ATOM 4735 O ILE B 676 5.067 -6.653 94.653 1.00 8.97 O

ATOM 4736 CB ILE B 676 6.664 -9.562 93.966 1.00 7.39 C

ATOM 4737 CG1 ILE B 676 6.288 -11.014 94.292 1.00 8.07 C

ATOM 4738 CG2 ILE B 676 7.386 -8.904 95.140 1.00 5.65 C

ATOM 4739 CD1 ILE B 676 5.252 -11.165 95.384 1.00 9.40 C

ATOM 4740 N PRO B 677 6.306 -6.576 92.792 1.00 6.82 N

ATOM 4741 CA PRO B 677 6.432 -5.113 92.855 1.00 6.99 C

ATOM 4742 C PRO B 677 5.078 -4.391 92.780 1.00 5.65 C

ATOM 4743 O PRO B 677 4.847 -3.452 93.548 1.00 2.69 O

ATOM 4744 CB PRO B 677 7.310 -4.780 91.637 1.00 6.57 C

ATOM 4745 CG PRO B 677 8.093 -6.048 91.402 1.00 6.66 C

ATOM 4746 CD PRO B 677 7.082 -7.147 91.674 1.00 7.37 C

ATOM 4747 N TRP B 678 4.213 -4.821 91.863 1.00 5.21 N

ATOM 4748 CA TRP B 678 2.872 -4.263 91.731 1.00 6.27 C

ATOM 4749 C TRP B 678 2.089 -4.471 93.027 1.00 6.63 C

ATOM 4750 O TRP B 678 1.517 -3.527 93.569 1.00 7.71 O

ATOM 4751 CB TRP B 678 2.144 -4.891 90.530 1.00 6.66 C

ATOM 4752 CG TRP B 678 0.758 -4.353 90.268 1.00 6.67 C

ATOM 4753 CD1 TRP B 678 0.426 -3.223 89.566 1.00 6.32 C

ATOM 4754 CD2 TRP B 678 -0.485 -4.940 90.685 1.00 6.70 C

ATOM 4755 NE1 TRP B 678 -0.942 -3.065 89.539 1.00 4.64 N

ATOM 4756 CE2 TRP B 678 -1.525 -4.104 90.219 1.00 6.21 C

ATOM 4757 CE3 TRP B 678 -0.825 -6.082 91.425 1.00 5.58 C

ATOM 4758 CZ2 TRP B 678 -2.878 -4.382 90.457 1.00 5.51 C

ATOM 4759 CZ3 TRP B 678 -2.161 -6.353 91.663 1.00 5.70 C

ATOM 4760 CH2 TRP B 678 -3.173 -5.504 91.180 1.00 4.80 C

ATOM 4761 N ILE B 679 2.097 -5.698 93.541 1.00 6.29 N

ATOM 4762 CA ILE B 679 1.414 -6.008 94.799 1.00 6.09 C

ATOM 4763 C ILE B 679 1.926 -5.153 95.957 1.00 7.83 C

ATOM 4764 O ILE B 679 1.136 -4.572 96.708 1.00 8.57 O

ATOM 4765 CB ILE B 679 1.536 -7.512 95.150 1.00 4.70 C

ATOM 4766 CG1 ILE B 679 0.706 -8.358 94.179 1.00 4.00 C

ATOM 4767 CG2 ILE B 679 1.091 -7.762 96.582 1.00 3.33 C

ATOM 4768 CD1 ILE B 679 1.167 -9.814 94.079 1.00 3.40 C

ATOM 4769 N GLU B 680 3.245 -5.078 96.100 1.00 8.69 N

ATOM 4770 CA GLU B 680 3.845 -4.292 97.177 1.00 11.00 C

ATOM 4771 C GLU B 680 3.594 -2.787 97.023 1.00 9.80 C

ATOM 4772 O GLU B 680 3.389 -2.088 98.016 1.00 8.60 O

ATOM 4773 CB GLU B 680 5.344 -4.601 97.316 1.00 13.04 C

ATOM 4774 CG GLU B 680 5.623 -6.062 97.655 1.00 15.92 C

ATOM 4775 CD GLU B 680 7.102 -6.376 97.841 1.00 17.98 C

ATOM 4776 OE1 GLU B 680 7.953 -5.722 97.196 1.00 17.28 O

ATOM 4777 OE2 GLU B 680 7.411 -7.298 98.632 1.00 18.15 O

ATOM 4778 N ASN B 681 3.604 -2.299 95.786 1.00 9.08 N

ATOM 4779 CA ASN B 681 3.220 -0.914 95.493 1.00 9.41 C

ATOM 4780 C ASN B 681 1.816 -0.571 96.002 1.00 8.45 C

ATOM 4781 O ASN B 681 1.622 0.439 96.671 1.00 8.86 O

ATOM 4782 CB ASN B 681 3.301 -0.643 93.986 1.00 10.59 C

ATOM 4783 CG ASN B 681 2.929 0.789 93.619 1.00 12.95 C

ATOM 4784 OD1 ASN B 681 2.819 1.127 92.445 1.00 13.85 O

ATOM 4785 ND2 ASN B 681 2.752 1.635 94.621 1.00 15.33 N

ATOM 4786 N ILE B 682 0.835 -1.407 95.683 1.00 8.17 N

ATOM 4787 CA ILE B 682 -0.549 -1.099 96.048 1.00 7.73 C

ATOM 4788 C ILE B 682 -0.786 -1.262 97.550 1.00 7.96 C

ATOM 4789 O ILE B 682 -1.357 -0.388 98.204 1.00 6.65 O

ATOM 4790 CB ILE B 682 -1.530 -1.961 95.237 1.00 8.64 C

ATOM 4791 CG1 ILE B 682 -1.626 -1.434 93.800 1.00 8.07 C

ATOM 4792 CG2 ILE B 682 -2.908 -2.000 95.909 1.00 7.50 C

ATOM 4793 CD1 ILE B 682 -2.262 -2.401 92.859 1.00 8.16 C

ATOM 4794 N ILE B 683 -0.322 -2.374 98.100 1.00 7.38 N

ATOM 4795 CA ILE B 683 -0.509 -2.629 99.518 1.00 6.88 C

ATOM 4796 C ILE B 683 0.199 -1.601 100.397 1.00 8.99 C

ATOM 4797 O ILE B 683 -0.331 -1.205 101.440 1.00 10.68 O

ATOM 4798 CB ILE B 683 -0.087 -4.067 99.867 1.00 5.22 C

ATOM 4799 CG1 ILE B 683 -1.132 -5.045 99.310 1.00 4.27 C

ATOM 4800 CG2 ILE B 683 0.077 -4.230 101.384 1.00 2.13 C

ATOM 4801 CD1 ILE B 683 -0.844 -6.515 99.599 1.00 4.74 C

ATOM 4802 N SER B 684 1.374 -1.141 99.972 1.00 7.76 N

ATOM 4803 CA SER B 684 2.113 -0.149 100.750 1.00 8.24 C

ATOM 4804 C SER B 684 1.523 1.252 100.612 1.00 7.58 C

ATOM 4805 O SER B 684 1.651 2.079 101.511 1.00 7.22 O

ATOM 4806 CB SER B 684 3.602 -0.128 100.359 1.00 9.06 C

ATOM 4807 OG SER B 684 3.822 0.597 99.157 1.00 6.80 O

ATOM 4808 N ASP B 685 0.884 1.521 99.481 1.00 7.02 N

ATOM 4809 CA ASP B 685 0.397 2.865 99.193 1.00 6.83 C

ATOM 4810 C ASP B 685 -1.043 3.114 99.654 1.00 8.11 C

ATOM 4811 O ASP B 685 -1.488 4.256 99.704 1.00 7.90 O

ATOM 4812 CB ASP B 685 0.537 3.170 97.699 1.00 4.13 C

ATOM 4813 CG ASP B 685 0.688 4.648 97.419 1.00 3.70 C

ATOM 4814 OD1 ASP B 685 1.179 5.374 98.307 1.00 2.16 O

ATOM 4815 OD2 ASP B 685 0.348 5.177 96.343 1.00 2.25 O

ATOM 4816 N PHE B 686 -1.769 2.050 99.980 1.00 10.94 N

ATOM 4817 CA PHE B 686 -3.154 2.187 100.425 1.00 15.36 C

ATOM 4818 C PHE B 686 -3.379 1.449 101.737 1.00 19.12 C

ATOM 4819 O PHE B 686 -2.463 1.303 102.551 1.00 22.23 O

ATOM 4820 CB PHE B 686 -4.137 1.700 99.351 1.00 14.13 C

ATOM 4821 CG PHE B 686 -4.057 2.475 98.064 1.00 13.57 C

ATOM 4822 CD1 PHE B 686 -3.188 2.087 97.053 1.00 12.72 C

ATOM 4823 CD2 PHE B 686 -4.833 3.607 97.871 1.00 13.53 C

ATOM 4824 CE1 PHE B 686 -3.100 2.809 95.877 1.00 12.54 C

ATOM 4825 CE2 PHE B 686 -4.750 4.333 96.692 1.00 12.99 C

ATOM 4826 CZ PHE B 686 -3.883 3.933 95.696 1.00 12.39 C

ATOM 4827 OXT PHE B 686 -4.482 0.990 102.022 1.00 22.36 O

TER 4828 PHE B 686

HETATM 4829 NA NA 800 -10.031 24.163 69.183 1.00 33.07 NA

HETATM 4830 NA NA 850 -9.855 -26.986 80.704 1.00 52.64 NA

HETATM 4831 C1 GOL 70O 2.135 8.560 44.195 1.00 33.91 C

HETATM 4832 01 GOL 700 1.159 8.653 43.172 1.00 32.00 O

HETATM 4833 C2 GOL 700 1.443 8.376 45.544 1.00 34.32 C

HETATM 4834 O2 GOL 700 0.374 9.289 45.657 1.00 32.29 O

HETATM 4835 C3 GOL 700 2.424 8.564 46.703 1.00 35.95 C

HETATM 4836 O3 GOL 700 3.125 9.794 46.614 1.00 36.17 O

HETATM 4837 C1 GOL 701 -10.558 17.680 64.214 1.00 68.97 C

HETATM 4838 O1 GOL 701 -11.934 17.644 63.908 1.00 69.43 O

HETATM 4839 C2 GOL 701 -10.191 18.959 64.961 1.00 68.15 C

HETATM 4840 O2 GOL 701 -11.346 19.698 65.270 1.00 68.42 O

HETATM 4841 C3 GOL 701 -9.278 19.809 64.093 1.00 68.30 C

HETATM 4842 O3 GOL 701 -8.231 20.340 64.874 1.00 68.18 O

HETATM 4843 C1 GOL 702 -24.283 9.821 40.460 1.00 83.39 C

HETATM 4844 O1 GOL 702 -24.299 9.699 41.866 1.00 83.27 O

HETATM 4845 C2 GOL 702 -22.946 10.395 40.003 1.00 83.21 C

HETATM 4846 O2 GOL 702 -21.915 9.454 40.196 1.00 82.80 O

HETATM 4847 C3 GOL 702 -22.630 11.656 40.795 1.00 82.99 C

HETATM 4848 O3 GOL 702 -22.407 12.721 39.899 1.00 82.61 O

HETATM 4849 C1 GOL 703 7.745 15.717 46.647 1.00 67.72 C

HETATM 4850 O1 GOL 703 8.123 15.476 45.311 1.00 66.46 O

HETATM 4851 C2 GOL 703 8.361 14.659 47.556 1.00 68.32 C

HETATM 4852 O2 GOL 703 7.914 13.375 47.177 1.00 67.89 O

HETATM 4853 C3 GOL 703 7.946 14.936 48.993 1.00 68.42 C

HETATM 4854 O3 GOL 703 8.917 15.750 49.614 1.00 68.88 O

HETATM 4855 C1 GOL 750 2.001 -11.770 105.375 1.00 43.37 C

HETATM 4856 O1 GOL 750 1.044 -11.715 106.418 1.00 42.14 O

HETATM 4857 C2 GOL 750 1.322 -11.442 104.046 1.00 44.36 C

HETATM 4858 O2 GOL 750 0.222 -12.298 103.825 1.00 42.79 O

HETATM 4859 C3 GOL 750 2.301 -11.546 102.878 1.00 45.95 C

HETATM 4860 O3 GOL 750 3.129 -12.686 102.994 1.00 46.80 O

HETATM 4861 C1 GOL 751 -11.276 -21.000 84.287 1.00 69.12 C

HETATM 4862 O1 GOL 751 -11.689 -20.791 85.621 1.00 69.50 O

HETATM 4863 C2 GOL 751 -10.418 -22.256 84.181 1.00 68.87 C

HETATM 4864 O2 GOL 751 -11.143 -23.360 84.660 1.00 68.88 O

HETATM 4865 C3 GOL 751 -9.149 -22.113 85.008 1.00 68.78 C

HETATM 4866 O3 GOL 751 -8.439 -23.334 85.016 1.00 68.83 O

HETATM 4867 C1 GOL 754 -1.142 -4.673 105.389 1.00 61.38 C

HETATM 4868 O1 GOL 754 -2.222 -4.834 106.282 1.00 60.88 O

HETATM 4869 C2 GOL 754 -0.897 -3.191 105.134 1.00 61.37 C

HETATM 4870 O2 GOL 754 -0.344 -2.614 106.293 1.00 62.13 O

HETATM 4871 C3 GOL 754 -2.204 -2.489 104.770 1.00 60.85 C

HETATM 4872 O3 GOL 754 -2.123 -1.976 103.455 1.00 59.88 O

HETATM 4873 O HOH 1 -11.193 15.281 66.457 1.00 33.07 O

HETATM 4874 O HOH 2 -12.458 15.684 70.347 1.00 49.57 O

HETATM 4875 O HOH 3 -7.772 22.577 65.981 1.00 32.93 O

HETATM 4876 O HOH 4 -8.799 25.943 68.425 1.00 42.55 O

HETATM 4877 O HOH 5 -7.829 23.408 68.384 1.00 36.67 O

HETATM 4878 O HOH 6 -10.310 23.075 67.178 1.00 54.00 O

HETATM 4879 O HOH 7 -9.078 14.620 73.684 1.00 50.51 O

HETATM 4880 O HOH 8 -11.450 -18.300 82.979 1.00 28.67 O

HETATM 4881 O HOH 9 -13.241 -16.346 82.106 1.00 47.96 O

HETATM 4882 O HOH 10 -8.005 -25.710 83.445 1.00 34.13 O

HETATM 4883 O HOH 11 -7.804 -26.241 80.852 1.00 37.49 O

HETATM 4884 O HOH 12 -10.407 -26.261 82.817 1.00 59.04 O

HETATM 4885 O HOH 13 5.204 28.454 65.369 1.00 45.75 O

HETATM 4886 O HOH 14 -9.420 -0.996 85.486 1.00 51.96 O

HETATM 4887 O HOH 15 -7.063 -1.401 85.537 1.00 47.31 O

HETATM 4888 O HOH 16 -7.123 -2.816 83.365 1.00 42.63 O

HETATM 4889 O HOH 17 0.667 3.655 94.049 1.00 31.22 O

HETATM 4890 O HOH 18 -14.345 24.793 55.991 1.00 19.96 O

HETATM 4891 O HOH 19 -12.806 29.918 56.759 1.00 29.76 O

HETATM 4892 O HOH 20 -3.152 9.931 89.539 1.00 30.19 O

HETATM 4893 O HOH 21 -1.032 -13.073 83.456 1.00 26.99 O

HETATM 4894 O HOH 22 -5.019 -27.000 86.273 1.00 31.97 O

HETATM 4895 O HOH 23 -4.883 24.131 63.097 1.00 33.57 O

HETATM 4896 O HOH 24 -5.008 19.543 51.404 1.00 25.25 O

HETATM 4897 O HOH 25 -13.688 18.318 55.317 1.00 33.93 O

HETATM 4898 O HOH 26 -7.588 -37.820 90.564 1.00 41.29 O

HETATM 4899 O HOH 27 -14.417 -28.845 102.463 1.00 29.69 O

HETATM 4900 O HOH 28 -7.004 -22.394 94.448 1.00 33.00 O

HETATM 4901 O HOH 29 -7.220 16.282 51.953 1.00 26.51 O

HETATM 4902 O HOH 30 -12.811 -3.294 55.896 1.00 41.47 O

HETATM 4903 O HOH 31 9.806 -24.480 78.313 1.00 42.59 O

HETATM 4904 O HOH 32 10.701 -26.998 81.780 1.00 46.71 O

HETATM 4905 O HOH 33 -3.073 -15.207 83.646 1.00 23.18 O

HETATM 4906 O HOH 34 5.027 -6.233 89.019 1.00 27.86 O

HETATM 4907 O HOH 35 -4.995 28.792 65.466 1.00 32.19 O

HETATM 4908 O HOH 36 9.875 21.439 70.935 1.00 40.88 O

HETATM 4909 O HOH 37 -0.136 17.119 76.132 1.00 37.43 O

HETATM 4910 O HOH 38 -22.456 -25.260 100.267 1.00 32.66 O

HETATM 4911 O HOH 39 3.322 -5.179 87.197 1.00 29.77 O

HETATM 4912 O HOH 40 -10.242 -11.562 79.978 1.00 28.08 O

HETATM 4913 O HOH 41 8.145 13.130 66.642 1.00 35.40 O

HETATM 4914 O HOH 42 -29.823 -29.190 98.548 1.00 37.95 O

HETATM 4915 O HOH 43 -8.243 -2.370 60.093 1.00 41.71 O

HETATM 4916 O HOH 44 -14.447 -27.837 93.330 1.00 28.71 O

HETATM 4917 O HOH 45 -23.425 23.192 59.940 1.00 29.46 O

HETATM 4918 O HOH 46 -1.077 10.144 66.134 1.00 23.93 O

HETATM 4919 O HOH 47 -5.095 -22.522 97.935 1.00 26.91 O

HETATM 4920 O HOH 48 -10.882 18.128 55.406 1.00 27.33 O

HETATM 4921 O HOH 49 -13.685 -21.460 94.128 1.00 26.61 O

HETATM 4922 O HOH 50 -14.210 25.852 47.102 1.00 36.87 O

HETATM 4923 O HOH 51 -6.949 19.295 55.177 1.00 33.23 O

HETATM 4924 O HOH 52 1.501 25.981 52.570 1.00 33.25 O

HETATM 4925 O HOH 53 -2.900 12.172 65.746 1.00 25.16 O

HETATM 4926 O HOH 54 -5.983 18.960 63.564 1.00 34.33 O

HETATM 4927 O HOH 55 -2.256 -26.056 101.858 1.00 42.31 O

HETATM 4928 O HOH 56 -14.050 -35.898 95.969 1.00 39.07 O

HETATM 4929 O HOH 57 5.092 3.182 60.572 1.00 28.59 O

HETATM 4930 O HOH 58 16.639 -27.162 101.084 1.00 36.74 O

HETATM 4931 O HOH 59 -19.822 28.313 57.928 1.00 41.40 O

HETATM 4932 O HOH 60 -7.485 -19.212 97.641 1.00 29.05 O

HETATM 4933 O HOH 61 -14.120 22.341 66.030 1.00 39.86 O

HETATM 4934 O HOH 62 -13.178 37.863 61.726 1.00 30.38 O

HETATM 4935 O HOH 63 -15.863 1.929 85.892 1.00 46.31 O

HETATM 4936 O HOH 64 2.859 -6.807 82.819 1.00 32.18 O

HETATM 4937 O HOH 65 4.824 -17.266 90.776 1.00 30.21 O

HETATM 4938 O HOH 66 -5.958 -21.997 85.780 1.00 33.22 O

HETATM 4939 O HOH 67 5.772 -30.776 81.620 1.00 26.28 O

HETATM 4940 O HOH 68 4.292 20.414 66.589 1.00 34.38 O

HETATM 4941 O HOH 69 -4.138 18.025 38.827 1.00 41.02 O

HETATM 4942 O HOH 70 -1.771 -0.925 46.225 1.00 56.85 O

HETATM 4943 O HOH 71 -4.384 12.001 72.321 1.00 30.30 O

HETATM 4944 O HOH 72 -11.155 17.068 68.781 1.00 31.23 O

HETATM 4945 O HOH 73 6.281 -19.211 89.302 1.00 26.31 O

HETATM 4946 O HOH 74 -22.311 22.280 49.037 1.00 31.00 O

HETATM 4947 O HOH 75 -10.949 15.735 44.567 1.00 30.05 O

HETATM 4948 O HOH 76 -0.260 -20.416 73.235 1.00 35.43 O

HETATM 4949 O HOH 77 -2.968 9.574 73.388 1.00 47.39 O

HETATM 4950 O HOH 78 -14.009 -31.697 105.814 1.00 40.92 O

HETATM 4951 O HOH 79 6.955 27.035 54.736 1.00 35.09 O

HETATM 4952 O HOH 80 -18.889 -11.912 110.126 1.00 37.43 O

HETATM 4953 O HOH 81 -2.056 -19.236 71.633 1.00 36.47 O

HETATM 4954 O HOH 82 -8.708 -2.206 105.673 1.00 46.58 O

HETATM 4955 O HOH 83 -18.495 -13.749 92.088 1.00 43.69 O

HETATM 4956 O HOH 84 -13.665 31.298 59.042 1.00 34.01 O

HETATM 4957 O HOH 85 17.104 24.263 48.344 1.00 38.02 O

HETATM 4958 O HOH 86 -13.763 -34.343 90.335 1.00 31.83 O

HETATM 4959 O HOH 87 4.995 14.181 58.857 1.00 27.80 O

HETATM 4960 O HOH 88 3.372 2.299 62.261 1.00 29.34 O

HETATM 4961 O HOH 89 -10.867 20.032 45.335 1.00 38.62 O

HETATM 4962 O HOH 90 6.541 19.453 64.729 1.00 37.94 O

HETATM 4963 O HOH 91 -4.621 -34.240 94.636 1.00 36.47 O

HETATM 4964 O HOH 92 -21.321 -8.060 95.554 1.00 48.09 O

HETATM 4965 O HOH 93 -10.912 -21.192 93.945 1.00 25.86 O

HETATM 4966 O HOH 94 -24.121 -3.313 84.823 1.00 48.48 O

HETATM 4967 O HOH 95 1.480 -28.899 96.865 1.00 30.27 O

HETATM 4968 O HOH 96 -4.772 -31.110 80.685 1.00 42.61 O

HETATM 4969 O HOH 97 -14.392 2.875 43.767 1.00 31.85 O

HETATM 4970 O HOH 98 -5.710 -9.175 79.679 1.00 27.93 O

HETATM 4971 O HOH 99 1.436 -18.120 73.648 1.00 36.41 O

HETATM 4972 O HOH 100 -16.549 -28.967 81.657 1.00 44.11 O

HETATM 4973 O HOH 101 -18.021 10.773 57.263 1.00 35.51 O

HETATM 4974 O HOH 102 -4.060 -21.277 110.574 1.00 42.00 O

HETATM 4975 O HOH 103 -2.185 23.075 47.812 1.00 43.01 O

HETATM 4976 O HOH 104 -9.583 -25.427 104.307 1.00 32.89 O

HETATM 4977 O HOH 105 -5.644 6.247 69.733 1.00 30.57 O

HETATM 4978 O HOH 106 -10.849 -22.854 104.219 1.00 31.23 O

HETATM 4979 O HOH 107 -5.281 12.805 54.532 1.00 27.20 O

HETATM 4980 O HOH 108 -4.303 7.375 72.163 1.00 41.05 O

HETATM 4981 O HOH 109 -10.119 1.120 69.167 1.00 35.45 O

HETATM 4982 O HOH 110 -4.546 31.125 54.629 1.00 41.84 O

HETATM 4983 O HOH 111 -11.755 -23.839 75.201 1.00 39.04 O

HETATM 4984 O HOH 112 6.530 16.028 60.022 1.00 34.37 O

HETATM 4985 O HOH 113 11.379 22.728 73.331 1.00 48.38 O

HETATM 4986 O HOH 114 -12.805 -32.847 92.531 1.00 29.56 O

HETATM 4987 O HOH 115 -5.550 -31.692 107.277 1.00 45.92 O

HETATM 4988 O HOH 116 8.086 -27.971 98.355 1.00 39.61 O

HETATM 4989 O HOH 117 -5.341 -15.883 94.882 1.00 27.78 O

HETATM 4990 O HOH 118 -5.939 -2.097 80.087 1.00 62.33 O

HETATM 4991 O HOH 119 11.724 -27.999 93.489 1.00 50.62 O

HETATM 4992 O HOH 120 6.242 -10.022 101.037 1.00 62.29 O

HETATM 4993 O HOH 121 0.609 9.346 75.420 1.00 32.28 O

HETATM 4994 O HOH 122 4.531 26.887 51.107 1.00 46.23 O

HETATM 4995 O HOH 123 16.039 22.219 57.208 1.00 33.20 O

HETATM 4996 O HOH 124 -13.380 13.954 67.000 1.00 37.72 O

HETATM 4997 O HOH 125 -21.472 16.570 59.778 1.00 46.01 O

HETATM 4998 O HOH 126 18.028 -18.542 98.546 1.00 43.46 O

HETATM 4999 O HOH 127 -11.863 -9.262 72.588 1.00 44.42 O

HETATM 5000 O HOH 128 -9.693 22.496 45.377 1.00 35.06 O

HETATM 5001 O HOH 129 4.318 -23.456 82.983 1.00 31.59 O

HETATM 5002 O HOH 130 4.562 24.583 52.421 1.00 38.05 O

HETATM 5003 O HOH 131 -25.939 -15.446 103.576 1.00 54.04 O

HETATM 5004 O HOH 132 -10.144 8.329 69.468 1.00 28.57 O

HETATM 5005 O HOH 133 -17.171 21.473 41.665 1.00 41.38 O

HETATM 5006 O HOH 134 -21.591 -18.941 95.687 1.00 55.05 O

HETATM 5007 O HOH 135 11.851 -25.407 85.564 1.00 38.96 O

HETATM 5008 O HOH 136 -21.776 -1.566 66.526 1.00 44.03 O

HETATM 5009 O HOH 137 11.515 -25.442 76.229 1.00 41.28 O

HETATM 5010 O HOH 138 -13.439 7.630 38.312 1.00 44.68 O

HETATM 5011 O HOH 139 4.586 14.992 73.517 1.00 53.88 O

HETATM 5012 O HOH 140 6.870 -1.978 94.345 1.00 38.58 O

HETATM 5013 O HOH 141 -17.259 6.246 60.898 1.00 52.84 O

HETATM 5014 O HOH 142 5.833 27.573 68.053 1.00 31.59 O

HETATM 5015 O HOH 143 -5.458 -2.284 59.855 1.00 44.99 O

HETATM 5016 O HOH 144 -16.511 -31.071 84.326 1.00 38.07 O

HETATM 5017 O HOH 145 1.480 -29.995 74.140 1.00 52.18 O

HETATM 5018 O HOH 146 -11.693 34.103 56.803 1.00 34.67 O

HETATM 5019 O HOH 147 8.476 -3.344 96.773 1.00 46.61 O

HETATM 5020 O HOH 148 -1.223 1.732 38.732 1.00 52.63 O

HETATM 5021 O HOH 149 5.117 -12.902 77.217 1.00 37.74 O

HETATM 5022 O HOH 150 -10.419 19.711 42.257 1.00 46.32 O

HETATM 5023 O HOH 151 4.215 -6.905 84.949 1.00 48.37 O

HETATM 5024 O HOH 152 11.350 18.848 61.250 1.00 63.85 O

HETATM 5025 O HOH 153 -10.819 -18.338 105.167 1.00 34.53 O

HETATM 5026 O HOH 154 -24.409 7.407 51.121 1.00 44.62 O

HETATM 5027 O HOH 155 -21.716 15.602 47.227 1.00 38.16 O

HETATM 5028 O HOH 156 -16.375 4.997 73.769 1.00 54.25 O

HETATM 5029 O HOH 157 -3.780 32.383 52.417 1.00 62.09 O

HETATM 5030 O HOH 158 -13.964 -19.855 103.222 1.00 42.00 O

HETATM 5031 O HOH 159 5.056 -31.439 84.058 1.00 40.20 O

HETATM 5032 O HOH 160 15.854 -25.246 92.263 1.00 35.82 O

HETATM 5033 O HOH 161 -10.600 -0.229 38.239 1.00 50.52 O

HETATM 5034 O HOH 162 -2.129 16.169 77.602 1.00 39.28 O

HETATM 5035 O HOH 163 -18.402 22.149 67.380 1.00 55.82 O

HETATM 5036 O HOH 164 -13.891 28.846 43.971 1.00 45.53 O

HETATM 5037 O HOH 165 8.191 -16.124 83.047 1.00 38.08 O

HETATM 5038 O HOH 166 -29.536 26.370 51.007 1.00 41.51 O

HETATM 5039 O HOH 167 -16.517 26.208 67.415 1.00 50.02 O

HETATM 5040 O HOH 168 -15.005 -18.971 86.798 1.00 43.39 O

HETATM 5041 O HOH 169 -16.480 27.862 64.721 1.00 37.73 O

HETATM 5042 O HOH 170 -16.362 9.204 68.684 1.00 47.22 O

HETATM 5043 O HOH 171 4.571 1.716 24.133 1.00 43.41 O

HETATM 5044 O HOH 172 -16.123 -12.323 80.716 1.00 54.02 O

HETATM 5045 O HOH 173 -21.788 -18.624 102.323 1.00 47.66 O

HETATM 5046 O HOH 174 2.024 -32.930 83.545 1.00 49.01 O

HETATM 5047 O HOH 175 -16.738 26.321 44.953 1.00 50.04 O

HETATM 5048 O HOH 176 -5.446 26.302 66.541 1.00 40.29 O

HETATM 5049 O HOH 177 0.680 -6.619 55.434 1.00 38.24 O

HETATM 5050 O HOH 178 -15.392 -1.437 53.372 1.00 44.44 O

HETATM 5051 O HOH 179 -10.812 -22.758 10. 802 1.00 39.97 O

HETATM 5052 O HOH 180 -9.689 35.167 62.050 1.00 43.12 O

HETATM 5053 O HOH 181 -15.547 10.778 37.089 1.00 49.99 O

HETATM 5054 O HOH 182 3.419 -6.810 100.495 1.00 33.95 O

HETATM 5055 O HOH 183 -13.888 10.146 70.255 1.00 47.28 O

HETATM 5056 O HOH 184 -15.492 -1.437 96.670 1.00 44.52 O

HETATM 5057 O HOH 185 7.207 -13.310 31.340 1.00 49.66 O

HETATM 5058 O HOH 186 -13.476 10.952 67.446 1.00 48.61 O

HETATM 5059 O HOH 187 5.291 8.872 45.242 1.00 45.35 O

HETATM 5060 O HOH 188 -18.555 8.535 39.210 1.00 44.30 O

HETATM 5061 O HOH 189 -13.870 32.951 53.492 1.00 41.92 O

HETATM 5062 O HOH 190 6.836 -30.313 94.877 1.00 35.87 O

HETATM 5063 O HOH 191 13.277 -29.339 91.936 1.00 45.73 O

HETATM 5064 O HOH 192 -16.549 -8.172 75.919 1.00 44.64 O

HETATM 5065 O HOH 193 -14.148 30.594 54.573 1.0O 47.39 O

HETATM 5066 O HOH 194 2.367 -27.567 107.013 1.00 52.10 O

HETATM 5067 O HOH 195 -19.994 -31.245 91.704 1.00 39.82 O

HETATM 5068 O HOH 196 -22.783 -14.778 109.033 1.00 44.77 O

HETATM 5069 O HOH 197 -11.881 6.465 76.793 1.00 48.56 O

HETATM 5070 O HOH 198 6.885 -3.003 50.904 1.00 51.72 O

HETATM 5071 O HOH 199 9.765 9.037 53.760 1.00 52.10 O

HETATM 5072 O HOH 200 1.715 -31.442 98.032 1.00 49.47 O

HETATM 5073 O HOH 201 -15.513 -26.254 72.592 1.00 37.64 O

HETATM 5074 O HOH 202 6.926 -1.094 55.201 1.00 46.69 O

HETATM 5075 O HOH 203 -21.930 -19.702 89.670 1.00 53.24 O

HETATM 5076 O HOH 204 -5.019 -31.753 83.991 1.00 36.99 O

HETATM 5077 O HOH 205 -5.242 28.298 68.186 1.00 41.69 O

HETATM 5078 O HOH 206 14.323 11.412 49.112 1.00 53.30 O

HETATM 5079 O HOH 207 0.893 -1.428 86.525 1.00 37.10 O

HETATM 5080 O HOH 208 -9.970 -5.371 59.602 1.00 46.03 O

HETATM 5081 O HOH 209 -20.818 25.414 66.223 1.00 47.61 O

HETATM 5082 O HOH 210 -15.946 -9.955 86.132 1.00 47.69 O

HETATM 5083 O HOH 211 -7.843 34.422 58.993 1.00 45.21 O

HETATM 5084 O HOH 212 -10.486 14.639 76.764 1.00 46.07 O

HETATM 5085 O HOH 213 -2.070 -14.304 120.287 1.00 58.39 O

HETATM 5086 O HOH 214 -10.476 -17.732 72.842 1.00 44.56 O

HETATM 5087 O HOH 215 -19.373 11.791 37.760 1.00 48.62 O

HETATM 5088 O HOH 216 -17.401 -38.604 87.430 1.00 48.86 O

HETATM 5089 O HOH 217 -9.710 -37.610 87.180 1.00 36.56 O

HETATM 5090 O HOH 218 -11.626 -37.212 92.682 1.00 38.79 O

HETATM 5091 O HOH 219 -10.206 -3.761 80.075 1.00 35.36 O

HETATM 5092 O HOH 220 -21.036 15.971 54.407 1.00 61.88 O

HETATM 5093 O HOH 221 -1.670 -5.270 28.274 1.00 47.64 O

HETATM 5094 O HOH 222 -5.258 -29.439 83.128 1.00 53.41 O

HETATM 5095 O HOH 223 -13.738 -10.342 111.310 1.00 39.17 O

HETATM 5096 O HOH 224 1.038 -1.654 63.065 1.00 33.88 O

HETATM 5097 O HOH 225 1.710 26.813 75.234 1.00 46.10 O

HETATM 5098 O HOH 226 1.321 0.171 36.350 1.00 42.29 O

HETATM 5099 O HOH 227 -17.165 -9.464 89.192 1.00 56.73 O

HETATM 5100 O HOH 228 7.406 -7.752 18.866 1.00 43.78 O

HETATM 5101 O HOH 229 -15.943 -18.023 110.349 1.00 46.48 O

HETATM 5102 O HOH 230 2.201 29.977 65.962 1.00 42.47 O

HETATM 5103 O HOH 231 6.758 7.799 68.268 1.00 49.96 O

HETATM 5104 O HOH 232 -14.831 16.200 62.670 1.00 48.34 O

HETATM 5105 O HOH 233 -10.882 -2.873 111.461 1.00 48.43 O

HETATM 5106 O HOH 234 12.444 25.232 42.077 1.00 55.12 O

HETATM 5107 O HOH 235 -3.545 -20.066 69.287 1.00 49.79 O

HETATM 5108 O HOH 236 -3.404 -33.572 101.383 1.00 72.05 O

HETATM 5109 O HOH 237 -12.295 21.137 41.044 1.00 52.49 O

HETATM 5110 O HOH 238 2.580 -11.775 14.673 1.00 50.41 O

HETATM 5111 O HOH 239 3.154 -5.820 107.412 1.00 41.01 O

HETATM 5112 O HOH 240 3.679 3.668 48.919 1.00 47.60 O

HETATM 5113 O HOH 241 4.340 -27.590 96.931 1.00 39.82 O

HETATM 5114 O HOH 242 -0.445 3.886 103.252 1.00 60.54 O

HETATM 5115 O HOH 243 4.691 -14.474 117.057 1.00 52.31 O

HETATM 5116 O HOH 244 -17.470 -27.275 74.557 1.00 49.31 O

HETATM 5117 O HOH 245 2.608 -18.547 116.421 1.00 46.49 O

HETATM 5118 O HOH 246 -9.961 -35.353 77.436 1.00 39.71 O

HETATM 5119 O HOH 247 -22.686 29.769 65.668 1.00 42.91 O

HETATM 5120 O HOH 248 -5.297 -3.696 67.666 1.00 48.13 O

HETATM 5121 O HOH 249 -6.831 32.809 55.523 1.00 40.61 O

HETATM 5122 O HOH 250 10.121 26.645 43.931 1.00 51.71 O

HETATM 5123 O HOH 251 10.422 -9.406 109.123 1.00 58.59 O

HETATM 5124 O HOH 252 1.680 -31.824 100.825 1.00 46.17 O

HETATM 5125 O HOH 253 -0.637 -6.796 46.421 1.00 50.54 O

HETATM 5126 O HOH 254 -4.833 -13.762 67.489 1.00 58.49 O

HETATM 5127 O HOH 255 -11.697 21.005 74.690 1.00 40.87 O

HETATM 5128 O HOH 256 6.697 0.183 98.621 1.00 50.48 O

HETATM 5129 O HOH 257 -17.210 -24.512 107.106 1.00 46.04 O

HETATM 5130 O HOH 258 -18.765 -18.478 110.872 1.00 49.07 O

HETATM 5131 O HOH 259 14.259 -14.301 100.298 1.00 51.20 O

HETATM 5132 O HOH 260 -0.148 3.228 41.244 1.00 42.95 O

HETATM 5133 O HOH 261 -1.550 1.860 43.678 1.00 43.39 O

HETATM 5134 O HOH 262 8.744 -24.286 82.675 1.00 41.44 O

HETATM 5135 O HOH 263 -13.721 -25.289 83.234 1.00 35.68 O

HETATM 5136 O HOH 264 -4.051 -10.477 77.195 1.00 39.63 O

HETATM 5137 O HOH 265 -4.840 2.207 83.772 1.00 41.20 O

HETATM 5138 O HOH 266 -9.560 -2.002 64.071 1.00 51.91 O

HETATM 5139 O HOH 267 10.618 27.868 59.608 1.00 43.33 O

HETATM 5140 O HOH 268 6.654 -22.405 84.389 1.00 37.77 O

HETATM 5141 O HOH 269 -25.374 -30.710 91.834 1.00 41.46 O

HETATM 5142 O HOH 270 -2.953 -12.398 75.889 1.00 44.19 O

HETATM 5143 O HOH 271 -10.068 -16.621 68.426 1.00 48.68 O

HETATM 5144 O HOH 272 5.984 -34.373 89.703 1.00 55.20 O

HETATM 5145 O HOH 273 -3.200 -8.364 48.353 1.00 58.81 O

HETATM 5146 O HOH 274 -5.208 5.563 118.909 1.00 58.64 O

HETATM 5147 O HOH 275 -14.719 32.210 67.916 1.00 48.07 O

HETATM 5148 O HOH 276 7.131 -19.808 83.872 1.00 46.76 O

HETATM 5149 O HOH 277 -20.853 5.657 53.770 1.00 60.36 O

HETATM 5150 O HOH 278 -6.897 -1.426 63.908 1.00 46.61 O

HETATM 5151 O HOH 279 -8.431 -1.212 43.968 1.00 54.59 O

HETATM 5152 O HOH 280 7.957 -33.722 82.854 1.00 54.25 O

HETATM 5153 O HOH 281 -19.249 -4.072 84.304 1.00 58.88 O

HETATM 5154 O HOH 282 -8.007 2.288 100.419 1.00 60.15 O

HETATM 5155 O HOH 283 2.580 -2.353 37.018 1.00 44.90 O

HETATM 5156 O HOH 284 10.501 24.388 67.790 1.00 47.28 O

HETATM 5157 O HOH 285 6.674 16.819 65.513 1.00 55.07 O

HETATM 5158 O HOH 286 4.505 -17.878 76.273 1.00 52.00 O

HETATM 5159 O HOH 287 -4.269 -35.186 97.283 1.00 53.43 O

HETATM 5160 O HOH 288 -8.225 -4.671 43.992 1.00 49.38 O

HETATM 5161 O HOH 289 18.128 15.803 50.959 1.00 44.78 O

HETATM 5162 O HOH 290 -23.439 -13.655 93.653 1.00 42.22 O

HETATM 5163 O HOH 291 5.904 -8.631 105.153 1.00 58.19 O

HETATM 5164 O HOH 292 -21.817 -1.639 96.752 1.00 57.18 O

HETATM 5165 O HOH 293 -0.420 -3.331 113.867 1.00 57.22 O

HETATM 5166 O HOH 294 -14.138 -13.431 78.539 1.00 62.44 O

HETATM 5167 O HOH 295 -27.961 27.376 59.755 1.00 37.56 O

HETATM 5168 O HOH 296 13.729 -28.219 102.295 1.00 44.05 O

HETATM 5169 O HOH 297 -3.157 30.748 47.777 1.00 57.13 O

HETATM 5170 O HOH 298 -12.207 -37.981 99.172 1.00 55.16 O

HETATM 5171 O HOH 299 -3.545 3.780 71.645 1.00 58.18 O

HETATM 5172 O HOH 300 -16.465 -35.219 105.786 1.00 55.55 O

HETATM 5173 O HOH 301 -7.127 -0.129 66.065 1.00 42.94 O

HETATM 5174 O HOH 302 -0.610 -8.476 25 667 1.00 54.07 O

HETATM 5175 O HOH 303 6.915 -3.632 100.868 1.00 42.43 O

HETATM 5176 O HOH 304 -19.944 0.864 95.978 1.00 48.67 O

HETATM 5177 O HOH 305 -22.029 27.206 55.148 1.00 45.55 O

HETATM 5178 O HOH 306 2.280 2.756 41.663 1.00 58.50 O

HETATM 5179 O HOH 307 0.186 -12.253 74.200 1.00 45.00 O

HETATM 5180 O HOH 308 -13.448 -18.260 112.050 1.00 51.62 O

HETATM 5181 O HOH 309 -9.925 33.873 67.367 1.00 52.34 O

HETATM 5182 O HOH 310 -15.832 7.022 63.356 1.00 42.52 O

HETATM 5183 O HOH 311 -5.073 0.591 81.603 1.00 52.27 O

HETATM 5184 O HOH 312 -10.042 13.064 81.037 1.00 50.19 O

HETATM 5185 O HOH 313 7.406 24.472 54.308 1.00 46.92 O

HETATM 5186 O HOH 314 -3.004 6.132 101.382 1.00 48.78 O

HETATM 5187 O HOH 315 5.541 6.04 29.660 1.00 48.65 O

HETATM 5188 O HOH 316 -14.179 -18.819 114.927 1.00 57.02 O

HETATM 5189 O HOH 317 8.702 30.197 57.590 1.00 44.87 O

HETATM 5190 O HOH 318 -6.500 -32.536 104.302 1.00 51.53 O

HETATM 5191 O HOH 319 -26.420 -2.757 87.495 1.00 52.17 O

HETATM 5192 O HOH 320 -3.624 17.119 80.054 1.00 50.53 O

HETATM 5193 O HOH 321 -13.276 4.431 42.263 1.00 50.75 O

HETATM 5194 O HOH 322 -23.182 -32.792 84.171 1.00 43.13 O

HETATM 5195 O HOH 323 -23.396 8.477 46.670 1.00 45.89 O

HETATM 5196 O HOH 324 -20.267 31.374 66.229 1.00 49.83 O

HETATM 5197 O HOH 325 -6.971 -9.089 112.838 1.00 46.32 O

HETATM 5198 O HOH 326 -15.788 -2.636 57.034 1.00 64.58 O

HETATM 5199 O HOH 327 -29.649 -31.876 97.785 1.00 54.28 O

HETATM 5200 O HOH 328 -17.393 -0.304 98.015 1.00 55.60 O

HETATM 5201 O HOH 329 -21.462 21.489 41.573 1.00 47.52 O

HETATM 5202 O HOH 330 7.350 -27.637 95.381 1.00 49.66 O

HETATM 5203 O HOH 331 8.758 -29.640 104.963 1.00 46.90 O

HETATM 5204 O HOH 332 11.381 -23.610 110.251 1.00 49.80 O

HETATM 5205 O HOH 333 -9.917 32.123 72.053 1.00 51.42 O

HETATM 5206 O HOH 334 13.908 25.282 47.069 1.00 45.78 O

HETATM 5207 O HOH 335 -17.60 9 6.039 66.735 1.00 61.98 O

HETATM 5208 O HOH 336 10.347 -30.594 89.578 1.00 51.87 O

HETATM 5209 O HOH 337 -5.893 28.962 75.876 1.00 57.94 O

HETATM 5210 O HOH 338 -8.529 -28.901 80.976 1.00 32.13 O

HETATM 5211 O HOH 339 1.656 23.376 80.806 1.00 50.54 O

HETATM 5212 O HOH 340 3.976 -4.271 100.997 1.00 47.21 O

HETATM 5213 O HOH 341 15.530 -19.739 93.540 1.00 59.81 O

HETATM 5214 O HOH 342 3.376 -3.447 103.367 1.00 49.36 O

HETATM 5215 O HOH 343 4.161 10.002 41.597 1.00 61.03 O

HETATM 5216 O HOH 344 -6.960 9.218 33.776 1.00 54.00 O

HETATM 5217 O HOH 345 -12.478 -24.183 107.741 1.00 46.77 O

HETATM 5218 O HOH 346 15.814 16.720 56.134 1.00 48.17 O

HETATM 5219 O HOH 347 -4.538 -23.816 109.522 1.00 46.33 O

HETATM 5220 O HOH 348 5.043 8.384 70.352 1.00 55.22 O

HETATM 5221 O HOH 349 -14.496 -5.878 106.066 1.00 29.59 O

HETATM 5222 O HOH 350 -12.305 -18.579 79.103 1.00 44.44 O

HETATM 5223 O HOH 351 1.354 15.162 75.996 1.00 37.25 O

HETATM 5224 O HOH 352 -11.371 -20.648 81.041 1.00 32.70 O

HETATM 5225 O HOH 353 4.659 4.434 65.086 1.00 45.33 O

HETATM 5226 O HOH 354 0.943 25.858 39.892 1.00 47.43 O

HETATM 5227 O HOH 355 15.621 0.037 31.961 1.00 53.76 O

HETATM 5228 O HOH 356 4.378 -15.61 90.795 1.00 52.55 O

HETATM 5229 O HOH 357 13.273 -20.315 101.657 1.00 43.23 O

HETATM 5230 O HOH 358 -14.432 -33.368 94.446 1.00 54.66 O

HETATM 5231 O HOH 359 -17.551 -9.551 83.270 1.00 52.31 O

HETATM 5232 O HOH 360 -5.020 -4.996 65.284 1.00 54.84 O

HETATM 5233 O HOH 361 -6.692 -16.539 75.728 1.00 44.71 O

HETATM 5234 O HOH 362 -6.768 13.875 73.331 1.00 48.11 O

CONECT 34 382

CONECT 257 514

CONECT 382 34

CONECT 514 257

CONECT 543 1423

CONECT 1423 543

CONECT 1785 1938

CONECT 1938 1785

CONECT 2007 2240

CONECT 2240 2007

CONECT 2460 2789

CONECT 2661 2887

CONECT 2789 2460

CONECT 2887 2661

CONECT 2916 3804

CONECT 3804 2916

CONECT 4168 4312

CONECT 4312 4168

CONECT 4381 4614

CONECT 4614 4381

CONECT 4831 4832 4833

CONECT 4832 4831

CONECT 4833 4831 4834 4835

CONECT 4834 4833

CONECT 4835 4833 4836

CONECT 4836 4835

CONECT 4837 4838 4839

CONECT 4838 4837

CONECT 4839 4837 4840 4841

CONECT 4840 4839

CONECT 4841 4839 4842

CONECT 4842 4841

CONECT 4843 4844 4845

CONECT 4844 4843

CONECT 4845 4843 4846 4847

CONECT 4846 4845

CONECT 4847 4845 4848

CONECT 4848 4847

CONECT 4849 4850 4851

CONECT 4850 4849

CONECT 4851 4849 4852 4853

CONECT 4852 4851

CONECT 4853 4851 4854

CONECT 4854 4853

CONECT 4855 4856 4857

CONECT 4856 4855

CONECT 4857 4855 4858 4859

CONECT 4858 4857

CONECT 4859 4857 4860

CONECT 4860 4859

CONECT 4861 4862 4863

CONECT 4862 4861

CONECT 4863 4861 4864 4865

CONECT 4864 4863

CONECT 4865 4863 4866

CONECT 4866 4865

CONECT 4867 4868 4869

CONECT 4868 4867

CONECT 4869 4867 4870 4871

CONECT 4870 4869

CONECT 4871 4869 4872

CONECT 4872 4871

MASTER 467 0 9 8 42 0 0 6 5232 2 62 52

END

表4

HEADER MASP-2 gammaB片段酶原形式(MASP-2gammaB fragment zymogen form)

COMPND MASP-2

REMARK 3

REMARK 3 REFINEMENT

REMARK 3 PROGRAM ：REFMAC 51.24

REMARK 3 AUTHORS ：MURSHUDOV，VAGIN，DODSON

REMARK 3

REMARK 3 REFINEMENT TARGET：MAXIMUM IIKELIHOOD

REMARK 3

REMARK 3 DATA USED IN REFINEMENT.

REMARK 3 RESOLUTION RANGE HIGH(ANGSTROMS)： 2.18

REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS)： 60.86

REMARK 3 DATA CUTOFF (SIGMA(F))： NONE

REMARK 3 COMPLETENESS FOR RANGE (％)： 88.18

REMARK 3 NUMBER OF REFLECTIONS ： 17391

REMARK 3

REMARK 3 FIT TO DATA USED IN REFINEMENT.

REMARK 3 CROSS-VALIDATION METHOD ：THROUGHOUT

REMARK 3 FREE R VALUE TEST SET SELECTION ：RANDOM

REMARK 3 R VALUE (WORKING+TEST SET) ：0.20733

REMARK 3 R VALUE (WORKING SET) ：0.20491

REMARK 3 FREE R VALUE ：0.25285

REMARK 3 FREE R VALUE TEST SET SIZE (％)：5.1

REMARK 3 FREE R VALUE TEST SET COUNT ：938

REMARK 3

REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

REMARK 3 TOTAL NUMBER OF BINS USED ： 20

REMARK 3 BIN RESOLUTION RANGE HIGH ： 2.180

REMARK 3 BIN RESOLUTION RANGE LOW ： 2.237

REMARK 3 REFLECTION IN BIN (WORKING SET) ： 615

REMARK 3 BIN R VALUE (WORKING SET) ： 0.309

REMARK 3 BIN FREE R VALUE SET COUNT ： 27

REMARK 3 BIN FREE R VALUE ： 0.346

REMARK 3

REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT

REMARK 3 ALL ATOMS ： 2993

REMARK 3

REMARK 3 B VALUES.

REMARK 3 FROM WILSON PLOT (A**2)：NULL

REMARK 3 MEAN B VALUE (OVERALL，A**2)： 25.915

REMARK 3 OVERALL ANISOTROPIC B VALUE.

REMARK 3 B11(A**2)： -0.27

REMARK 3 B22(A**2)： -2.56

REMARK 3 B33(A**2)： 2.83

REMARK 3 B12(A**2)： 0.00

REMARK 3 B13(A**2)： 0.00

REMARK 3 B23(A**2)： 0.00

REMARK 3

REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.

REMARK 3 ESU BASED ON R VALUE (A)： 0.352

REMARK 3 ESU BASED ON FREE R VALUE (A)： 0.243

REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A)： 0.194

REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD(A**2)： 8.011

REMARK 3

REMARK 3 CORRELATION COEFFICIENTS

REMARK 3 CORRELATION COEFFICIENT FO-FC ： 0.942

REMARK 3 CORRELATION COEFFICIENT FO-FC FREE： 0.908

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK 3 BOND LENGTHS REFINED ATOMS (A)： 2996；0.005；0.021

REMARK 3 BOND LENGTHS OTHERS (A)： 2605；0.001；0.020

REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES)；4091；0.875；1.944

REMARK 3 BOND ANGLES OTHERS (DEGREES)： 6045；0.639；3.000

REMARK 3 TORSION ANGLES，PERIOD 1 (DEGREES)： 388；5.190；5.000

REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3)： 441；0.056；0.200

REMARK 3 GENERAL PLANES REFINED ATOMS (A)：3408；0.002；0.020

REMARK 3 GENERAL PLANES OTHERS (A)： 610；0.001；0.020

REMARK 3 NON-BONDED CONTACTS REFINED ATOMS(A)： 717；0.201；0.300

REMARK 3 NON-BONDED CONTACTS OTHERS (A)：2956；0.239；0.300

REMARK 3 NON-BONDED TORSION OTHERS (A)：2061；0.119；0.500

REMARK 3 H-BOND(X...Y)REFINED ATOMS (A)： 130；0.228；O.500

REMARK 3 SYMMETRY VDW REFINED ATOMS (A)： 24；0.168；0.300

REMARK 3 SYMMETRY VDW OTHERS (A)： 72；0.269；0.300

REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A)： 13；0.144；0.500

REMARK 3

REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS COUNT RMS WEIGHT

REMARK 3 MAIN-CHAIN BOND REFINED ATOMS(A**2)： 1924；1.290；2.000

REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS(A**2)： 3075；2.135；3.000

REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2)：1072；0.988；2.000

REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS(A**2)： 1016；1.491；3.000

REMARK 3

REMARK 3 NCS RESTRAINTS STATISTICS

REMARK 3 NUMBER OF NCS GROUPS ： NULL

REMARK 3

REMARK 3 TLS DETAILS

REMARK 3 NUMBER OF TLS GROUPS ： 3

REMARK 3

REMARK 3 TLS GROUP： 1

REMARK 3 NUMBER OF COMPONENTS GROUP： 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： A 296 A 365

REMARK 3 ORIGIN FOR THE GROUP(A)：-31.4330 46.5090 52.7690

REMARK 3 T TENSOR

REMARK 3 T11： 0.2401 T22： 0.2142

REMARK 3 T33： 0.2412 T12： 0.1266

REMARK 3 T13： -0.0294 T23： -0.0380

REMARK 3 L TENSOR

REMARK 3 L11： 8.1843 L22： 19.7067

REMARK 3 L33： 5.0478 L12： -7.5141

REMARK 3 L13： -2.4613 L23： 6.7154

REMARK 3 S TENSOR

REMARK 3 S11： 0.1942 S12： 0.3119 S13： 0.5193

REMARK 3 S21： -0.5264 S22： -0.5768 S23： 0.9744

REMARK 3 S31； -0.5584 S32： -0.5178 S33： 0.3826

REMARK 3

REMARK 3 TLS GROUP： 2

REMARK 3 NUMBER OF COMPONENTS GROUP： 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： A 366 A 433

REMARK 3 ORIGIN FOR THE GROUP(A)：-11.1300 17.2330 48.0550

REMARK 3 T TENSOR

REMARK 3 T11： 0.2453 T22： 0.2332

REMARK 3 T33： 0.0157 T12； 0.0345

REMARK 3 T13： 0.0436 T23： 0.0243

REMARK 3 L TENSOR

REMARK 3 L11： 4.8401 L22： 6.2761

REMARK 3 L33： 1.9652 L12： -3.0045

REMARK 3 L13： -0.9603 L23： 1.8449

REMARK 3 S TENSOR

REMARK 3 S11： -0.0231 S12： 0.0506 S13： 0.0047

REMARK 3 S21： 0.1939 S22： -0.1193 S23； -0.1215

REMARK 3 S31： 0.1490 S32； 0.1171 S33： 0.1424

REMARK 3

REMARK 3 TLS GROUP： 3

REMARK 3 NUMBER OF COMPONENTS GROUP： 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE： A 434 A 686

REMARK 3 ORIGIN FOR THE GROUP(A)： 14.4270 2.9460 27.4620

REMARK 3 T TENSOR

REMARK 3 T11： 0.0852 T22： 0.1179

REMARK 3 T33： 0.0679 T12： 0.0441

REMARK 3 T13： -0.0409 T23： -0.0325

REMARK 3 L TENSOR

REMARK 3 L11： 3.9499 L22： 3.3076

REMARK 3 L33： 2.7452 L12： 0.3759

REMARK 3 L13： -1.1198 L23： 0.4010

REMARK 3 S TENSOR

REMARK 3 S11： -0.1479 S12； 0.0168 S13； 0.0506

REMARK 3 S21： 0.1178 S22： 0.2136 S23： -0.2928

REMARK 3 S31： 0.1335 S32： 0.1127 S33： -0.0658

REMARK 3

REMARK 3 BULK SOLVENT MODELLING

REMARK 3 METHOD USED ： BABINET MODEL WITH MASK

REMARK 3 PARAMETERS FOR MASK CALCULATION

REMARK 3 VDW PROBE RADIUS ： 1.40

REMARK 3 ION PROBE RADIUS ： 0.80

REMARK 3 SHRINKAGE RADIUS ： 0.80

REMARK 3

REMARK 3 OTHER REF I NEMENT REMARKS：

REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

REMARK 3

CISPEP 1 PRO A 605 PRO A 606 0.00

LINK CYS A 660 GLU A 662 gap

LINK THR A 441 GLN A 444 gap

LINK CYS A 660 ALA A 663 gap

SSBOND 1 CYS A 300 CYS A 348

SSBOND 2 CYS A 328 CYS A 361

SSBOND 3 CYS A 366 CYS A 412

SSBOND 4 CYS A 396 CYS A 430

SSBOND 5 CYS A 434 CYS A 552

SSBOND 6 CYS A 598 CYS A 618

SSBOND 7 CYS A 629 CYS A 660

CRYST1 47.665 72.689 110.989 90.00 90.00 90.00 P 21 21 21

SCALE1 0.020980 0.000000 0.000000 0.00000

SCALE2 0.000000 0.013757 0.000000 0.00000

SCALE3 0.000000 0.000000 0.009010 0.00000

ATOM 1 N THR A 296 -43.796 68.498 52.930 1.00 39.97 A N

ATOM 3 CA THR A 296 -44.222 67.174 52.395 1.00 39.77 A C

ATOM 8 C THR A 296 -43.103 66.152 52.539 1.00 39.81 A C

ATOM 9 O THR A 296 -42.694 65.524 51.562 1.00 40.20 A O

ATOM 12 N ALA A 297 -42.612 65.992 53.765 1.00 39.62 A N

ATOM 14 CA ALA A 297 -41.533 65.052 54.049 1.00 39.66 A C

ATOM 16 CB ALA A 297 -40.274 65.804 54.457 1.00 39.64 A C

ATOM 20 C ALA A 297 -41.962 64.088 55.151 1.00 39.47 A C

ATOM 21 O ALA A 297 -42.079 64.479 56.313 1.00 40.09 A 0

ATOM 22 N HIS A 298 -42.198 62.831 54.784 1.00 38.75 A N

ATOM 24 CA HIS A 298 -42.699 61.844 55.737 1.00 38.20 A C

ATOM 26 CB HIS A 298 -44.169 61.516 55.449 1.00 38.37 A C

ATOM 29 CG HIS A 298 -44.415 60.882 54.113 1.00 38.44 A C

ATOM 30 ND1 HIS A 298 -44.448 61.605 52.939 1.00 38.35 A N

ATOM 32 CE1 HIS A 298 -44.702 60.790 51.930 1.00 38.36 A C

ATOM 34 NE2 HIS A 298 -44.847 59.567 52.408 1.00 38.26 A N

ATOM 36 CD2 HIS A 298 -44.679 59.598 53.771 1.00 38.28 A C

ATOM 38 C HIS A 298 -41.857 60.571 55.790 1.00 37.58 A C

ATOM 39 O HIS A 298 -40.957 60.367 54.974 1.00 37.07 A O

ATOM 40 N ALA A 299 -42.164 59.722 56.766 1.00 37.09 A N

ATOM 42 CA ALA A 299 -41.327 58.571 57.089 1.00 37.31 A C

ATOM 44 CB ALA A 299 -41.542 58.170 58.545 1.00 37.43 A C

ATOM 48 C ALA A 299 -41.570 57.371 56.174 1.00 36.76 A C

ATOM 49 O ALA A 299 -42.658 57.200 55.628 1.00 36.25 A O

ATOM 50 N CYS A 300 -40.536 56.549 56.012 1.00 37.04 A N

ATOM 52 CA CYS A 300 -40.648 55.275 55.309 1.00 37.26 A C

ATOM 54 CB CYS A 300 -39.444 55.048 54.391 1.00 37.05 A C

ATOM 57 SG CYS A 300 -39.661 55.627 52.690 1.00 37.30 A S

ATOM 58 C CYS A 300 -40.716 54.164 56.351 1.00 37.24 A C

ATOM 59 O CYS A 300 -40.176 54.313 57.447 1.00 37.05 A O

ATOM 60 N PRO A 301 -41.381 53.060 56.021 1.00 37.67 A N

ATOM 61 CA PRO A 301 -41.486 51.920 56.939 1.00 37.89 A C

ATOM 63 CB PRO A 301 -41.996 50.793 56.036 1.00 38.23 A C

ATOM 66 CG PRO A 301 -42.770 51.487 54.967 1.00 38.32 A C

ATOM 69 CD PRO A 301 -42.094 52.815 54.754 1.00 38.24 A C

ATOM 72 C PRO A 301 -40.136 51.551 57.550 1.00 37.76 A C

ATOM 73 O PRO A 301 -39.148 51.443 56.827 1.00 37.22 A O

ATOM 74 N TYR A 302 -40.092 51.371 58.865 1.00 38.16 A N

ATOM 76 CA TYR A 302 -38.833 51.073 59.534 1.00 38.93 A C

ATOM 78 CB TYR A 302 -39.034 50.934 61.045 1.00 39.32 A C

ATOM 81 CG TYR A 302 -37.739 51.031 61.815 1.00 39.82 A C

ATOM 82 CD1 TYR A 302 -37.132 52.260 62.034 1.00 40.14 A C

ATOM 84 CE1 TYR A 302 -35.941 52.355 62.726 1.00 40.38 A C

ATOM 86 CZ TYR A 302 -35.337 51.210 63.207 1.00 40.66 A C

ATOM 87 OH TYR A 302 -34.150 51.297 63.900 1.00 41.33 A O

ATOM 89 CE2 TYR A 302 -35.920 49.977 63.000 1.00 40.30 A C

ATOM 91 CD2 TYR A 302 -37.111 49.892 62.304 1.00 39.82 A C

ATOM 93 C TYR A 302 -38.212 49.800 58.954 1.00 38.68 A C

ATOM 94 O TYR A 302 -38.853 48.751 58.917 1.00 38.73 A O

ATOM 95 N PRO A 303 -36.965 49.896 58.497 1.00 39.10 A N

ATOM 96 CA PRO A 303 -36.310 48.781 57.802 1.00 39.02 A C

ATOM 98 CB PRO A 303 -35.055 49.429 57.205 1.00 39.27 A C

ATOM 101 CG PRO A 303 -34.754 50.584 58.101 1.00 39.07 A C

ATOM 104 CD PRO A 303 -36.081 51.069 58.617 1.00 39.18 A C

ATOM 107 C PRO A 303 -35.924 47.637 58.730 1.00 38.82 A C

ATOM 108 O PRO A 303 -35.074 47.812 59.605 1.00 38.55 A O

ATOM 109 N MET A 304 -36.548 46.479 58.539 1.00 39.10 A N

ATOM 111 CA MET A 304 -36.180 45.287 59.292 1.00 39.31 A C

ATOM 113 CB MET A 304 -37.425 44.489 59.693 1.00 41.37 A C

ATOM 116 CG MET A 304 -38.149 45.055 60.924 1.00 43.19 A C

ATOM 119 SD MET A 304 -38.956 43.798 61.958 1 00 45.35 A S

ATOM 120 CE MET A 304 -37.553 43.126 62.891 1.00 45.38 A C

ATOM 124 C MET A 304 -35.235 44.440 58.447 1.00 37.45 A C

ATOM 125 O MET A 304 -35.598 43.979 57.365 1.00 36.99 A O

ATOM 126 N ALA A 305 -34.014 44.256 58.940 1.00 35.26 A N

ATOM 128 CA ALA A 305 -33.001 43.498 58.215 1.00 33.38 A C

ATOM 130 CB ALA A 305 -31.665 43.574 58.938 1.00 33.55 A C

ATOM 134 C ALA A 305 -33.423 42.042 58.058 1.00 31.61 A C

ATOM 135 O ALA A 305 -34.163 41.510 58.885 1.00 30.28 A O

ATOM 136 N PRO A 306 -32.962 41.397 56.993 1.00 29.08 A N

ATOM 137 CA PRO A 306 -33.165 39.955 56.836 1.00 29.10 A C

ATOM 139 CB PRO A 306 -32.694 39.690 55.401 1.00 29.27 A C

ATOM 142 CG PRO A 306 -31.729 40.788 55.110 1.00 29.13 A C

ATOM 145 CD PRO A 306 -32.238 41.985 55.852 1.00 28.70 A C

ATOM 148 C PRO A 306 -32.323 39.155 57.830 1.00 27.91 A C

ATOM 149 O PRO A 306 -31.390 39.695 58.427 1.00 28.22 A O

ATOM 150 N PRO A 307 -32.662 37.886 58.018 1.00 27.40 A N

ATOM 151 CA PRO A 307 -31.812 36.968 58.783 1.00 27.73 A C

ATOM 153 CB PRO A 307 -32.456 35.601 58.527 1.00 27.64 A C

ATOM 156 CG PRO A 307 -33.882 35.899 58.196 1.00 27.22 A C

ATOM 159 CD PRO A 307 -33.892 37.238 57.532 1.00 27.23 A C

ATOM 162 C PRO A 307 -30.366 36.970 58.281 1.00 28.01 A C

ATOM 163 O PRO A 307 -30.141 36.901 57.074 1.00 26.43 A O

ATOM 164 N ASN A 308 -29.414 37.037 59.210 1.00 29.09 A N

ATOM 166 CA ASN A 308 -27.988 37.067 58.896 1.00 30.06 A C

ATOM 168 CB ASN A 308 -27.565 35.801 58.147 1.00 31.00 A C

ATOM 171 CG ASN A 308 -27.998 34.539 58.854 1.00 31.51 A C

ATOM 172 OD1 ASN A 308 -27.421 34.156 59.870 1.00 32.75 A O

ATOM 173 ND2 ASN A 308 -29.019 33.883 58.322 1.00 32.68 A N

ATOM 176 C ASN A 308 -27.574 38.304 58.106 1.00 29.90 A C

ATOM 177 O ASN A 308 -26.642 38.257 57.308 1.00 30.96 A O

ATOM 178 N GLY A 309 -28.270 39.409 58.339 1.00 30.14 A N

ATOM 180 CA GLY A 309 -27.902 40.685 57.763 1.00 30.14 A C

ATOM 183 C GLY A 309 -28.230 41.799 58.731 1.00 31.47 A C

ATOM 184 O GLY A 309 -28.961 41.589 59.697 1.00 30.36 A O

ATOM 185 N HIS A 310 -27.694 42.987 58.471 1.00 33.30 A N

ATOM 187 CA HIS A 310 -27.984 44.152 59.299 1.00 34.52 A C

ATOM 189 CB HIS A 310 -26.988 44.251 60.464 1.00 36.70 A C

ATOM 192 CG HIS A 310 -25.554 44.332 60.038 1.00 38.38 A C

ATOM 193 ND1 HIS A 310 -24.932 45.527 59.743 1.00 40.36 A N

ATOM 195 CE1 HIS A 310 -23.674 45.296 59.408 1.00 40.90 A C

ATOM 197 NE2 HIS A 310 -23.457 43.995 59.482 1.00 41.20 A N

ATOM 199 CD2 HIS A 310 -24.615 43.370 59.879 1.00 39.89 A C

ATOM 201 C HIS A 310 -28.004 45.449 58.483 1.00 34.28 A C

ATOM 202 O HIS A 310 -27.443 45.521 57.384 1.00 31.35 A O

ATOM 203 N VAL A 311 -28.671 46.458 59.044 1.00 35.32 A N

ATOM 205 CA VAL A 311 -28.829 47.778 58.437 1.00 36.46 A C

ATOM 207 CB VAL A 311 -30.203 48.382 58.818 1.00 37.51 A C

ATOM 209 CG1 VAL A 311 -30.387 49.766 58.203 1.00 37.79 A C

ATOM 213 CG2 VAL A 311 -31.338 47.450 58.401 1.00 37.29 A C

ATOM 217 C VAL A 311 -27.715 48.710 58.931 1.00 37.99 A C

ATOM 218 O VAL A 311 -27.469 48.795 60.133 1.00 38.01 A O

ATOM 219 N SER A 312 -27.056 49.414 58.013 1.00 40.23 A N

ATOM 221 CA SER A 312 -25.817 50.130 58.340 1.00 42.43 A C

ATOM 223 CB SER A 312 -25.062 50.564 57.078 1.00 44.39 A C

ATOM 226 OG SER A 312 -25.949 50.861 56.010 1.00 46.15 A O

ATOM 228 C SER A 312 -26.049 51.326 59.252 1.00 42.99 A C

ATOM 229 O SER A 312 -25.593 51.314 60.399 1.00 45.07 A O

ATOM 230 N PRO A 313 -26.720 52.368 58.759 1.00 41.28 A N

ATOM 231 CA PRO A 313 -27.136 53.462 59.637 1.00 39.61 A C

ATOM 233 CB PRO A 313 -27.317 54.637 58.673 1.00 40.06 A C

ATOM 236 CG PRO A 313 -27.703 54.012 57.375 1.00 40.45 A C

ATOM 239 CD PRO A 313 -27.115 52.617 57.361 1.00 40.86 A C

ATOM 242 C PRO A 313 -28.445 53.115 60.335 1.00 38.18 A C

ATOM 243 O PRO A 313 -29.493 53.096 59.694 1.00 37.10 A O

ATOM 244 N VAL A 314 -28.373 52.815 61.628 1.00 37.36 A N

ATOM 246 CA VAL A 314 -29.570 52.585 62.429 1.00 36.48 A C

ATOM 248 CB VAL A 314 -29.299 51.628 63.614 1.00 36.14 A C

ATOM 250 CG1 VAL A 314 -30.506 51.557 64.546 1.00 36.14 A C

ATOM 254 CG2 VAL A 314 -28.943 50.239 63.106 1.00 36.14 A C

ATOM 258 C VAL A 314 -30.080 53.928 62.949 1.00 35.11 A C

ATOM 259 O VAL A 314 -29.523 54.493 63.889 1.00 36.20 A O

ATOM 260 N GLN A 315 -31.128 54.441 62.311 1.00 33.20 A N

ATOM 262 CA GLN A 315 -31.754 55.691 62.718 1.00 32.43 A C

ATOM 264 CB GLN A 315 -31.975 56.603 61.505 1.00 31.22 A C

ATOM 267 CG GLN A 315 -30.732 56.816 60.642 1.00 29.95 A C

ATOM 270 CD GLN A 315 -30.999 57.685 59.422 1.00 29.28 A C

ATOM 271 OE1 GLN A 315 -30.129 57.830 58.560 1.00 28.46 A O

ATOM 272 NE2 GLN A 315 -32.196 58.263 59.344 1.00 27.45 A N

ATOM 275 C GLN A 315 -33.088 55.378 63.379 1.00 32.51 A C

ATOM 276 O GLN A 315 -33.671 54.322 63.139 1.00 33.45 A O

ATOM 277 N ALA A 316 -33.565 56.294 64.215 1.00 31.96 A N

ATOM 279 CA ALA A 316 -34.862 56.136 64.865 1.00 31.25 A C

ATOM 281 CB ALA A 316 -35.054 57.206 65.920 1.00 31.32 A C

ATOM 285 C ALA A 316 -35.997 56.190 63.841 1.00 30.51 A C

ATOM 286 O ALA A 316 -37.019 55.521 64.003 1.00 29.45 A O

ATOM 287 N LYS A 317 -35.809 56.994 62.794 1.00 30.19 A N

ATOM 289 CA LYS A 317 -36.772 57.095 61.696 1.00 30.07 A C

ATOM 291 CB LYS A 317 -37.879 58.091 62.048 1.00 30.74 A C

ATOM 298 C LYS A 317 -36.080 57.521 60.396 1.00 29.99 A C

ATOM 299 O LYS A 317 -35.079 58.240 60.423 1.00 31.06 A O

ATOM 300 N TYR A 318 -36.609 57.061 59.263 1.00 29.15 A N

ATOM 302 CA TYR A 318 -36.069 57.414 57.948 1.00 27.73 A C

ATOM 304 CB TYR A 318 -35.654 56.154 57.179 1.00 27.03 A C

ATOM 307 CG TYR A 318 -34.667 55.251 57.902 1.00 25.77 A C

ATOM 308 CD1 TYR A 318 -35.091 54.375 58.893 1.00 25.25 A C

ATOM 310 CE1 TYR A 318 -34.199 53.549 59.548 1.00 24.34 A C

ATOM 312 CZ TYR A 318 -32.861 53.583 59.212 1.00 23.99 A C

ATOM 313 OH TYR A 318 -31.975 52.755 59.866 1.00 21.90 A O

ATOM 315 CE2 TYR A 318 -32.413 54.440 58.231 1.00 24.17 A C

ATOM 317 CD2 TYR A 318 -33.314 55.266 57.580 1.00 24.79 A C

ATOM 319 C TYR A 318 -37.115 58.182 57.138 1.00 28.02 A C

ATOM 320 O TYR A 318 -38.269 57.767 57.070 1.00 28.95 A O

ATOM 321 N ILE A 319 -36.716 59.297 56.527 1.00 27.43 A N

ATOM 323 CA ILE A 319 -37.633 60.105 55.719 1.00 28.66 A C

ATOM 325 CB ILE A 319 -37.872 61.486 56.377 1.00 28.19 A C

ATOM 330 C ILE A 319 -37.104 60.284 54.297 1.00 28.94 A C

ATOM 331 O ILE A 319 -36.166 59.604 53.891 1.00 27.82 A O

ATOM 332 N LEU A 320 -37.715 61.199 53.547 1.00 29.78 A N

ATOM 334 CA LEU A 320 -37.326 61.466 52.161 1.00 30.64 A C

ATOM 336 CB LEU A 320 -38.090 62.685 51.630 1.00 31.61 A C

ATOM 339 CG LEU A 320 -37.549 63.367 50.367 1.00 31.95 A C

ATOM 341 CD1 LEU A 320 -37.834 62.531 49.124 1.00 32.17 A C

ATOM 345 CD2 LEU A 320 -38.137 64.764 50.227 1.00 31.82 A C

ATOM 349 C LEU A 320 -35.822 61.698 52.014 1.00 31.28 A C

ATOM 350 O LEU A 320 -35.200 62.349 52.855 1.00 31.13 A O

ATOM 351 N LYS A 321 -35.252 61.154 50.940 1.00 31.76 A N

ATOM 353 CA LYS A 321 -33.836 61.324 50.609 1.00 32.03 A C

ATOM 355 CB LYS A 321 -33.424 62.795 50.728 1.00 32.15 A C

ATOM 362 C LYS A 321 -32.894 60.450 51.444 1.00 32.62 A C

ATOM 363 O LYS A 321 -31.760 60.196 51.031 1.00 32.99 A O

ATOM 364 N ASP A 322 -33.356 59.987 52.604 1.00 32.95 A N

ATOM 366 CA ASP A 322 -32.525 59.177 53.491 1.00 33.12 A C

ATOM 368 CB ASP A 322 -33.211 58.956 54.845 1.00 33.80 A C

ATOM 371 CG ASP A 322 -33.045 60.139 55.786 1.00 34.44 A C

ATOM 372 OD1 ASP A 322 -32.241 61.044 55.480 1.00 34.57 A O

ATOM 373 OD2 ASP A 322 -33.675 60.252 56.858 1.00 35.40 A O

ATOM 374 C ASP A 322 -32.188 57.840 52.842 1.00 32.65 A C

ATOM 375 O ASP A 322 -32.651 57.536 51.739 1.00 33.35 A O

ATOM 376 N SER A 323 -31.376 57.044 53.526 1.00 31.22 A N

ATOM 378 CA SER A 323 -30.814 55.851 52.915 1.00 29.96 A C

ATOM 380 CB SER A 323 -29.584 56.241 52.090 1.00 29.47 A C

ATOM 383 OG SER A 323 -29.485 55.455 50.914 1.00 28.81 A O

ATOM 385 C SER A 323 -30.419 54.808 53.948 1.00 29.27 A C

ATOM 386 O SER A 323 -30.223 55.112 55.120 1.00 29.62 A O

ATOM 387 N PHE A 324 -30.311 53.566 53.498 1.00 29.07 A N

ATOM 389 CA PHE A 324 -29.754 52.506 54.322 1.00 29.14 A C

ATOM 391 CB PHE A 324 -30.777 52.006 55.347 1.00 28.07 A C

ATOM 394 CG PHE A 324 -31.726 50.973 54.812 1.00 27.83 A C

ATOM 395 CD1 PHE A 324 -31.353 49.636 54.727 1.00 26.99 A C

ATOM 397 CE1 PHE A 324 -32.229 48.692 54.242 1.00 26.03 A C

ATOM 399 CZ PHE A 324 -33.497 49.070 53.836 1.00 26.85 A C

ATOM 401 CE2 PHE A 324 -33.882 50.391 53.918 1.00 26.94 A C

ATOM 403 CD2 PHE A 324 -33.000 51.335 54.407 1.00 27.26 A C

ATOM 405 C PHE A 324 -29.264 51.369 53.440 1.00 29.18 A C

ATOM 406 O PHE A 324 -29.803 51.129 52.361 1.00 30.76 A O

ATOM 407 N SER A 325 -28.228 50.682 53.903 1.00 28.55 A N

ATOM 409 CA SER A 325 -27.671 49.548 53.185 1.00 28.76 A C

ATOM 411 CB SER A 325 -26.199 49.805 52.846 1.00 28.95 A C

ATOM 414 OG SER A 325 -26.035 51.053 52.189 1.00 29.76 A O

ATOM 416 C SER A 325 -27.798 48.288 54.031 1.00 28.92 A C

ATOM 417 O SER A 325 -28.016 48.360 55.237 1.00 26.89 A O

ATOM 418 N ILE A 326 -27.668 47.132 53.392 1.00 29.50 A N

ATOM 420 CA ILE A 326 -27.670 45.867 54.111 1.00 29.33 A C

ATOM 422 CB ILE A 326 -28.902 45.019 53.721 1.00 28.47 A C

ATOM 424 CG1 ILE A 326 -30.148 45.574 54.406 1.00 28.70 A C

ATOM 427 CD1 ILE A 326 -31.421 45.197 53.712 1.00 29.66 A C

ATOM 431 CG2 ILE A 326 -28.708 43.554 54.112 1.00 27.44 A C

ATOM 435 C ILE A 326 -26.376 45.112 53.839 1.00 30.03 A C

ATOM 436 O ILE A 326 -25.973 44.926 52.690 1.00 30.70 A O

ATOM 437 N PHE A 327 -25.725 44.690 54.912 1.00 31.02 A N

ATOM 439 CA PHE A 327 -24.505 43.910 54.813 1.00 32.24 A C

ATOM 441 CB PHE A 327 -23.333 44.718 55.368 1.00 33.03 A C

ATOM 444 CG PHE A 327 -23.147 46.037 54.680 1.00 33.94 A C

ATOM 445 CD1 PHE A 327 -23.598 47.211 55.260 1.00 34.03 A C

ATOM 447 CE1 PHE A 327 -23.430 48.425 54.615 1.00 34.45 A C

ATOM 449 CZ PHE A 327 -22.815 48.475 53.374 1.00 34.85 A C

ATOM 451 CE2 PHE A 327 -22.368 47.314 52.784 1.00 34.74 A C

ATOM 453 CD2 PHE A 327 -22.538 46.099 53.435 1.00 34.81 A C

ATOM 455 C PHE A 327 -24.688 42.593 55.557 1.00 31.75 A C

ATOM 456 O PHE A 327 -25.217 42.560 56.665 1.00 29.65 A O

ATOM 457 N CYS A 328 -24.269 41.506 54.921 1.00 32.86 A N

ATOM 459 CA CYS A 328 -24.470 40.170 55.461 1.00 31.68 A C

ATOM 461 CB CYS A 328 -24.624 39.168 54.319 1.00 31.81 A C

ATOM 464 SG CYS A 328 -26.010 39.524 53.212 1.00 31.46 A S

ATOM 465 C CYS A 328 -23.296 39.770 56.334 1.00 30.95 A C

ATOM 466 O CYS A 328 -22.214 40.334 56.213 1.00 29.03 A O

ATOM 467 N GLU A 329 -23.522 38.795 57.211 1.00 31.60 A N

ATOM 469 CA GLU A 329 -22.443 38.201 57.998 1.00 32.76 A C

ATOM 471 CB GLU A 329 -22.983 37.131 58.953 1.00 34.54 A C

ATOM 474 CG GLU A 329 -24.220 37.526 59.745 1.00 36.69 A C

ATOM 477 CD GLU A 329 -24.656 36.443 60.718 1.0O 37.99 A C

ATOM 478 OE1 GLU A 329 -24.705 35.262 60.304 1.00 38.23 A O

ATOM 479 OE2 GLU A 329 -24.950 36.771 61.892 1.00 37.76 A O

ATOM 480 C GLU A 329 -21.436 37.555 57.054 1.00 30.44 A C

ATOM 481 O GLU A 329 -21.734 37.331 55.884 1.00 30.75 A O

ATOM 482 N THR A 330 -20.249 37.255 57.567 1.00 29.46 A N

ATOM 484 CA THR A 330 -19.235 36.537 56.803 1.00 28.77 A C

ATOM 486 CB THR A 330 -17.952 36.354 57.644 1.00 28.66 A C

ATOM 488 OG1 THR A 330 -17.494 37.622 58.126 1.00 27.26 A O

ATOM 490 CG2 THR A 330 -16.794 35.845 56.783 1.00 28.94 A C

ATOM 494 C THR A 330 -19.768 35.167 56.398 1.00 28.56 A C

ATOM 495 O THR A 330 -20.338 34.446 57.215 1.00 28.36 A O

ATOM 496 N GLY A 331 -19.586 34.812 55.134 1.00 28.21 A N

ATOM 498 CA GLY A 331 -20.024 33.519 54.642 1.00 28.94 A C

ATOM 501 C GLY A 331 -21.441 33.543 54.100 1.00 29.41 A C

ATOM 502 O GLY A 331 -21.935 32.528 53.608 1.00 29.30 A O

ATOM 503 N TYR A 332 -22.095 34.698 54.201 1.00 29.08 A N

ATOM 505 CA TYR A 332 -23.432 34.887 53.652 1.00 29.58 A C

ATOM 507 CB TYR A 332 -24.418 35.310 54.742 1.00 29.60 A C

ATOM 510 CG TYR A 332 -24.718 34.208 55.729 1.00 30.75 A C

ATOM 511 CD1 TYR A 332 -23.767 33.806 56.659 1.00 31.06 A C

ATOM 513 CE1 TYR A 332 -24.028 32.788 57.553 1.00 31.46 A C

ATOM 515 CZ TYR A 332 -25.256 32.155 57.533 1.00 31.99 A C

ATOM 516 OH TYR A 332 -25.515 31.144 58.435 1.00 32.82 A O

ATOM 518 CE2 TYR A 332 -26.217 32.531 56.618 1.00 31.32 A C

ATOM 520 CD2 TYR A 332 -25.944 33.552 55.720 1.00 31.32 A C

ATOM 522 C TYR A 332 -23.366 35.940 52.566 1.00 29.76 A C

ATOM 523 O TYR A 332 -22.521 36.830 52.611 1.00 30.25 A O

ATOM 524 N GLU A 333 -24.259 35.838 51.589 1.00 31.17 A N

ATOM 526 CA GLU A 333 -24.227 36.731 50.440 1.00 33.03 A C

ATOM 528 CB GLU A 333 -23.749 35.983 49.195 1.00 34.17 A C

ATOM 531 CG GLU A 333 -24.557 34.747 48.833 1.00 35.03 A C

ATOM 534 CD GLU A 333 -24.022 34.069 47.585 1.00 37.26 A C

ATOM 535 OE1 GLU A 333 -22.915 34.450 47.145 1.00 40.24 A O

ATOM 536 OE2 GLU A 333 -24.701 33.169 47.037 1.00 37.08 A O

ATOM 537 C GLU A 333 -25.585 37.367 50.172 1.00 32.89 A C

ATOM 538 O GLU A 333 -26.625 36.763 50.423 1.00 31.91 A O

ATOM 539 N LEU A 334 -25.551 38.595 49.661 1.00 33.92 A N

ATOM 541 CA LEU A 334 -26.754 39.334 49.302 1.00 34.28 A C

ATOM 543 CB LEU A 334 -26.418 40.800 49.012 1.00 34.11 A C

ATOM 546 CG LEU A 334 -26.123 41.673 50.235 1.00 34.13 A C

ATOM 548 CD1 LEU A 334 -25.207 42.844 49.878 1.00 33.61 A C

ATOM 552 CD2 LEU A 334 -27.423 42.173 50.871 1.00 33.36 A C

ATOM 556 C LEU A 334 -27.370 38.703 48.067 1.00 34.77 A C

ATOM 557 O LEU A 334 -26.690 38.484 47.069 1.00 35.30 A O

ATOM 558 N LEU A 335 -28.658 38.398 48.144 1.00 36.07 A N

ATOM 560 CA LEU A 335 -29.372 37.823 47.017 1.00 36.40 A C

ATOM 562 CB LEU A 335 -29.614 36.330 47.241 1.00 36.66 A C

ATOM 565 CG LEU A 335 -28.446 35.367 47.034 1.00 36.42 A C

ATOM 567 CD1 LEU A 335 -28.831 33.998 47.547 1.00 36.59 A C

ATOM 571 CD2 LEU A 335 -28.042 35.291 45.567 1.00 36.99 A C

ATOM 575 C LEU A 335 -30.710 38.509 46.834 1.00 37.19 A C

ATOM 576 O LEU A 335 -31.498 38.601 47.771 1.00 36.68 A O

ATOM 577 N GLN A 336 -30.954 39.002 45.625 1.00 38.59 A N

ATOM 579 CA GLN A 336 -32.287 39.402 45.218 1.00 39.03 A C

ATOM 581 CB GLN A 336 -32.279 40.817 44.628 1.00 39.84 A C

ATOM 584 CG GLN A 336 -33.660 41.467 44.530 1.00 40.33 A C

ATOM 587 CD GLN A 336 -34.068 42.199 45.803 1.00 41.15 A C

ATOM 588 OE1 GLN A 336 -33.521 43.259 46.125 1.00 41.04 A O

ATOM 589 NE2 GLN A 336 -35.037 41.640 46.523 1.00 41.14 A N

ATOM 592 C GLN A 336 -32.743 38.360 44.202 1.00 39.61 A C

ATOM 593 O GLN A 336 -32.386 38.419 43.023 1.00 39.12 A O

ATOM 594 N GLY A 337 -33.515 37.389 44.678 1.00 40.01 A N

ATOM 596 CA GLY A 337 -33.884 36.243 43.873 1.00 40.18 A C

ATOM 599 C GLY A 337 -32.715 35.284 43.813 1.00 41.22 A C

ATOM 600 O GLY A 337 -32.170 34.896 44.845 1.00 41.15 A O

ATOM 601 N HIS A 338 -32.324 34.908 42.602 1.00 42.62 A N

ATOM 603 CA HIS A 338 -31.180 34.029 42.399 1.00 42.51 A C

ATOM 605 CB HIS A 338 -31.506 32.980 41.333 1.00 42.63 A C

ATOM 613 C HIS A 338 -29.948 34.829 41.983 1.00 42.72 A C

ATOM 614 O HIS A 338 -28.934 34.254 41.592 1.00 43.09 A O

ATOM 615 N LEU A 339 -30.039 36.155 42.077 1.00 42.95 A N

ATOM 617 CA LEU A 339 -28.957 37.041 41.651 1.00 43.26 A C

ATOM 619 CB LEU A 339 -29.525 38.197 40.826 1.00 43.64 A C

ATOM 622 CG LEU A 339 -28.543 38.879 39.868 1.00 44.22 A C

ATOM 624 CD1 LEU A 339 -28.404 38.074 38.579 1.00 44.17 A C

ATOM 628 CD2 LEU A 339 -28.981 40.309 39.567 1.00 44.47 A C

ATOM 632 C LEU A 339 -28.185 37.610 42.840 1.00 43.18 A C

ATOM 633 O LEU A 339 -28.755 38.322 43.664 1.00 42.00 A O

ATOM 634 N PRO A 340 -26.896 37.294 42.939 1.00 43.62 A N

ATOM 635 CA PRO A 340 -26.035 37.933 43.940 1.00 43.92 A C

ATOM 637 CB PRO A 340 -24.708 37.168 43.817 1.00 44.12 A C

ATOM 640 CG PRO A 340 -25.017 35.941 43.026 1.00 44.38 A C

ATOM 643 CD PRO A 340 -26.162 36.302 42.135 1.00 44.18 A C

ATOM 646 C PRO A 340 -25.835 39.407 43.609 1.00 42.70 A C

ATOM 647 O PRO A 340 -25.670 39.740 42.439 1.00 43.11 A O

ATOM 648 N LEU A 341 -25.856 40.271 44.617 1.00 41.39 A N

ATOM 650 CA LEU A 341 -25.667 41.699 44.393 1.00 41.34 A C

ATOM 652 CB LEU A 341 -26.688 42.521 45.190 1.00 41.09 A C

ATOM 655 CG LEU A 341 -28.164 42.127 45.101 1.00 41.30 A C

ATOM 657 CD1 LEU A 341 -28.925 42.677 46.301 1.00 41.80 A C

ATOM 661 CD2 LEU A 341 -28.786 42.615 43.804 1.00 41.22 A C

ATOM 665 C LEU A 341 -24.260 42.130 44.790 1.00 40.83 A C

ATOM 666 O LEU A 341 -23.678 41.592 45.737 1.00 40.11 A O

ATOM 667 N LYS A 342 -23.719 43.098 44.053 1.00 39.90 A N

ATOM 669 CA LYS A 342 -22.490 43.771 44.456 1.00 39.21 A C

ATOM 671 CB LYS A 342 -22.155 44.906 43.485 1.00 38.71 A C

ATOM 674 CG LYS A 342 -21.644 44.438 42.128 1.00 37.87 A C

ATOM 677 CD LYS A 342 -21.046 45.579 41.328 1.00 37.01 A C

ATOM 680 CE LYS A 342 -22.116 46.344 40.570 1.00 36.65 A C

ATOM 683 NZ LYS A 342 -21.549 47.488 39.810 1.00 36.22 A N

ATOM 687 C LYS A 342 -22.690 44.327 45.862 1.00 39.03 A C

ATOM 688 O LYS A 342 -21.891 44.074 46.767 1.00 39.94 A O

ATOM 689 N SER A 343 -23.775 45.079 46.029 1.00 38.20 A N

ATOM 691 CA SER A 343 -24.185 45.607 47.328 1.00 37.07 A C

ATOM 693 CB SER A 343 -23.349 46.835 47.695 1.00 37.42 A C

ATOM 696 OG SER A 343 -23.482 47.856 46.718 1.00 38.18 A O

ATOM 698 C SER A 343 -25.669 45.974 47.292 1.00 35.86 A C

ATOM 699 O SER A 343 -26.326 45.856 46.256 1.00 35.53 A O

ATOM 700 N PHE A 344 -26.198 46.413 48.427 1.00 34.74 A N

ATOM 702 CA PHE A 344 -27.589 46.843 48.497 1.00 33.36 A C

ATOM 704 CB PHE A 344 -28.443 45.786 49.195 1.00 33.45 A C

ATOM 707 CG PHE A 344 -29.907 46.118 49.231 1.00 33.49 A C

ATOM 708 CD1 PHE A 344 -30.732 45.789 48.164 1.00 33.82 A C

ATOM 710 CE1 PHE A 344 -32.083 46.093 48.193 1.00 33.56 A C

ATOM 712 CZ PHE A 344 -32.622 46.733 49.294 1.00 33.24 A C

ATOM 714 CE2 PHE A 344 -31.809 47.067 50.365 1.00 32.82 A C

ATOM 716 CD2 PHE A 344 -30.460 46.760 50.329 1.00 32.89 A C

ATOM 718 C PHE A 344 -27.711 48.167 49.233 1.00 32.79 A C

ATOM 719 O PHE A 344 -27.150 48.340 50.313 1.00 33.33 A O

ATOM 720 N THR A 345 -28.443 49.101 48.637 1.00 32.15 A N

ATOM 722 CA THR A 345 -28.751 50.372 49.282 1.00 31.95 A C

ATOM 724 CB THR A 345 -27.662 51.424 48.974 1.00 31.68 A C

ATOM 726 OG1 THR A 345 -26.413 51.012 49.540 1.00 31.65 A O

ATOM 728 CG2 THR A 345 -27.948 52.745 49.682 1.00 32.09 A C

ATOM 732 C THR A 345 -30.118 50.859 48.812 1.00 31.71 A C

ATOM 733 O THR A 345 -30.321 51.103 47.625 1.00 31.25 A O

ATOM 734 N ALA A 346 -31.055 50.978 49.749 1.00 31.73 A N

ATOM 736 CA ALA A 346 -32.396 51.462 49.447 1.00 32.28 A C

ATOM 738 CB ALA A 346 -33.436 50.611 50.159 1.00 32.11 A C

ATOM 742 C ALA A 346 -32.536 52.925 49.855 1.00 33.21 A C

ATOM 743 O ALA A 346 -32.066 53.331 50.919 1.00 32.80 A O

ATOM 744 N VAL A 347 -33.192 53.709 49.004 1.00 34.39 A N

ATOM 746 CA VAL A 347 -33.373 55.137 49.242 1.00 35.14 A C

ATOM 748 CB VAL A 347 -32.642 55.994 48.169 1.00 35.96 A C

ATOM 750 CG1 VAL A 347 -32.719 55.337 46.788 1.00 36.39 A C

ATOM 754 CG2 VAL A 347 -33.192 57.427 48.130 1.00 35.78 A C

ATOM 758 C VAL A 347 -34.864 55.478 49.281 1.00 35.23 A C

ATOM 759 O VAL A 347 -35.620 55.110 48.382 1.00 35.10 A O

ATOM 760 N CYS A 348 -35.276 56.171 50.339 1.00 35.60 A N

ATOM 762 CA CYS A 348 -36.670 56.553 50.530 1.00 35.75 A C

ATOM 764 CB CYS A 348 -36.896 56.951 51.990 1.00 36.00 A C

ATOM 767 SG CYS A 348 -38.609 57.343 52.410 1.00 35.96 A S

ATOM 768 C CYS A 348 -37.046 57.710 49.605 1.00 35.51 A C

ATOM 769 O CYS A 348 -36.520 58.811 49.743 1.00 34.93 A O

ATOM 770 N GLN A 349 -37.955 57.457 48.665 1.00 35.65 A N

ATOM 772 CA GLN A 349 -38.354 58.468 47.686 1.00 36.25 A C

ATOM 779 C GLN A 349 -39.454 59.391 48.212 1.00 36.85 A C

ATOM 780 O GLN A 349 -39.740 59.410 49.409 1.00 36.24 A O

ATOM 781 N LYS A 350 -40.066 60.156 47.311 1.00 37.87 A N

ATOM 783 CA LYS A 350 -41.172 61.042 47.673 1.00 38.70 A C

ATOM 785 CB LYS A 350 -41.469 62.023 46.537 1.00 38.71 A C

ATOM 792 C LYS A 350 -42.429 60.241 48.011 1.00 39.62 A C

ATOM 793 O LYS A 350 -43.315 60.729 48.715 1.00 38.96 A O

ATOM 794 N ASP A 351 -42.497 59.011 47.505 1.00 40.94 A N

ATOM 796 CA ASP A 351 -43.600 58.102 47.804 1.00 41.80 A C

ATOM 798 CB ASP A 351 -43.520 56.853 46.915 1.00 41.90 A C

ATOM 801 CG ASP A 351 -43.455 57.187 45.438 1.00 41.63 A C

ATOM 802 OD1 ASP A 351 -43.856 58.307 45.062 1.00 41.80 A O

ATOM 803 OD2 ASP A 351 -43.018 56.391 44.581 1.00 40.99 A O

ATOM 804 C ASP A 351 -43.562 57.674 49.269 1.00 42.32 A C

ATOM 805 O ASP A 351 -42.669 58.072 50.020 1.00 42.69 A O

ATOM 806 N GLY A 352 -44.531 56.855 49.667 1.00 42.35 A N

ATOM 808 CA GLY A 352 -44.547 56.284 51.002 1.00 41.87 A C

ATOM 811 C GLY A 352 -43.668 55.049 51.127 1.00 41.06 A C

ATOM 812 O GLY A 352 -43.340 54.627 52.237 1.00 41.08 A O

ATOM 813 N SER A 353 -43.278 54.470 49.993 1.00 39.87 A N

ATOM 815 CA SER A 353 -42.522 53.220 49.991 1.00 38.37 A C

ATOM 819 C SER A 353 -41.029 53.382 49.697 1.00 37.14 A C

ATOM 820 O SER A 353 -40.588 54.416 49.190 1.00 36.39 A O

ATOM 821 N TRP A 354 -40.261 52.347 50.035 1.00 35.87 A N

ATOM 823 CA TRP A 354 -38.854 52.263 49.651 1.00 34.79 A C

ATOM 825 CB TRP A 354 -38.134 51.166 50.441 1.00 33.83 A C

ATOM 828 CG TRP A 354 -37.946 51.489 51.887 1.00 32.21 A C

ATOM 829 CD1 TRP A 354 -38.711 51.055 52.929 1.00 31.61 A C

ATOM 831 NE1 TRP A 354 -38.233 51.564 54.112 1.00 31.03 A N

ATOM 833 CE2 TRP A 354 -37.135 52.341 53.851 1.00 30.68 A C

ATOM 834 CD2 TRP A 354 -36.925 52.314 52.457 1.00 31.07 A C

ATOM 835 CE3 TRP A 354 -35.852 53.040 51.931 1.00 30.82 A C

ATOM 837 CZ3 TRP A 354 -35.041 53.755 52.796 1.00 30.23 A C

ATOM 839 CH2 TRP A 354 -35.280 53.759 54.173 1.00 30.00 A C

ATOM 841 CZ2 TRP A 354 -36.317 53.058 54.719 1.00 29.86 A C

ATOM 843 C TRP A 354 -38.771 51.948 48.167 1.00 34.83 A C

ATOM 844 O TRP A 354 -39.704 51.385 47.596 1.00 35.29 A O

ATOM 845 N ASP A 355 -37.653 52.305 47.545 1.00 34.88 A N

ATOM 847 CA ASP A 355 -37.480 52.084 46.114 1.00 35.20 A C

ATOM 849 CB ASP A 355 -36.420 53.035 45.549 1.00 35.49 A C

ATOM 852 CG ASP A 355 -35.010 52.507 45.711 1.00 36.09 A C

ATOM 853 OD1 ASP A 355 -34.690 51.962 46.790 1.00 36.48 A O

ATOM 854 OD2 ASP A 355 -34.150 52.599 44.810 1.00 36.34 A O

ATOM 855 C ASP A 355 -37.126 50.630 45.806 1.00 35.60 A C

ATOM 856 O ASP A 355 -37.359 50.155 44.695 1.00 35.78 A O

ATOM 857 N ARG A 356 -36.577 49.927 46.796 1.00 35.99 A N

ATOM 859 CA ARG A 356 -36.175 48.532 46.628 1.00 36.45 A C

ATOM 861 CB ARG A 356 -34.650 48.429 46.519 1.00 36.20 A C

ATOM 864 CG ARG A 356 -34.110 48.674 45.118 1.00 36.58 A C

ATOM 867 CD ARG A 356 -32.594 48.784 45.049 1.00 36.46 A C

ATOM 874 C ARG A 356 -36.659 47.665 47.794 1.00 36.74 A C

ATOM 875 O ARG A 356 -36.648 48.101 48.950 1.00 35.54 A O

ATOM 876 N PRO A 357 -37.077 46.437 47.490 1.00 37.27 A N

ATOM 877 CA PRO A 357 -37.495 45.482 48.522 1.00 37.34 A C

ATOM 879 CB PRO A 357 -38.278 44.437 47.726 1.00 37.35 A C

ATOM 882 CG PRO A 357 -37.637 44.445 46.376 1.00 37.32 A C

ATOM 885 CD PRO A 357 -37.178 45.862 46.137 1.00 37.33 A C

ATOM 888 C PRO A 357 -36.299 44.830 49.221 1.00 37.07 A C

ATOM 889 O PRO A 357 -35.186 44.858 48.695 1.00 36.01 A O

ATOM 890 N MET A 358 -36.538 44.250 50.393 1.00 37.16 A N

ATOM 892 CA MET A 358 -35.478 43.627 51.172 1.00 37.21 A C

ATOM 894 CB MET A 358 -35.998 43.193 52.546 1.00 39.10 A C

ATOM 897 CG MET A 358 -36.337 44.341 53.478 1.00 41.31 A C

ATOM 900 SD MET A 358 -34.885 45.269 54.035 1.00 43.92 A S

ATOM 901 CE MET A 358 -35.683 46.487 55.101 1.00 44.20 A C

ATOM 905 C MET A 358 -34.917 42.410 50.445 1.00 35.47 A C

ATOM 906 O MET A 358 -35.671 41.558 49.971 1.00 34.60 A O

ATOM 907 N PRO A 359 -33.592 42.332 50.363 1.00 32.72 A N

ATOM 908 CA PRO A 359 -32.922 41.162 49.806 1.00 32.11 A C

ATOM 910 CB PRO A 359 -31.580 41.730 49.349 1.00 32.01 A C

ATOM 913 CG PRO A 359 -31.289 42.813 50.348 1.00 32.22 A C

ATOM 916 CD PRO A 359 -32.625 43.355 50.793 1.00 32.32 A C

ATOM 919 C PRO A 359 -32.705 40.118 50.884 1.00 31.07 A C

ATOM 920 O PRO A 359 -32.955 40.387 52.058 1.00 31.64 A O

ATOM 921 N ALA A 360 -32.247 38.940 50.482 1.00 30.43 A N

ATOM 923 CA ALA A 360 -31.903 37.887 51.421 1.00 29.98 A C

ATOM 925 CB ALA A 360 -32.230 36.524 50.824 1.00 29.33 A C

ATOM 929 C ALA A 360 -30.425 37.965 51.774 1.00 30.23 A C

ATOM 930 O ALA A 360 -29.618 38.481 51.001 1.00 29.92 A O

ATOM 931 N CYS A 361 -30.086 37.468 52.958 1.00 31.20 A N

ATOM 933 CA CYS A 361 -28.701 37.174 53.314 1.00 30.59 A C

ATOM 935 CB CYS A 361 -28.299 37.913 54.585 1.00 30.67 A C

ATOM 938 SG CYS A 361 -27.749 39.608 54.269 1.00 32.23 A S

ATOM 939 C CYS A 361 -28.604 35.665 53.495 1.00 29.90 A C

ATOM 940 O CYS A 361 -28.917 35.129 54.560 1.00 32.29 A O

ATOM 941 N SER A 362 -28.191 34.988 52.432 1.00 27.65 A N

ATOM 943 CA SER A 362 -28.249 33.538 52.361 1.00 26.45 A C

ATOM 945 CB SER A 362 -29.065 33.109 51.135 1.00 27.02 A C

ATOM 948 OG SER A 362 -28.301 32.309 50.259 1.00 28.06 A O

ATOM 950 C SER A 362 -26.851 32.934 52.318 1.00 24.22 A C

ATOM 951 O SER A 362 -25.933 33.494 51.726 1.00 23.45 A O

ATOM 952 N ILE A 363 -26.702 31.785 52.963 1.00 22.39 A N

ATOM 954 CA ILE A 363 -25.394 31.182 53.161 1.00 20.83 A C

ATOM 956 CB ILE A 363 -25.515 29.949 54.097 1.00 20.93 A C

ATOM 958 CG1 ILE A 363 -24.139 29.548 54.631 1.00 20.74 A C

ATOM 961 CD1 ILE A 363 -24.193 28.718 55.890 1.00 20.98 A C

ATOM 965 CG2 ILE A 363 -26.219 28.784 53.392 1.00 20.79 A C

ATOM 969 C ILE A 363 -24.740 30.830 51.819 1.00 20.77 A C

ATOM 970 O ILE A 363 -25.417 30.439 50.868 1.00 18.66 A O

ATOM 971 N VAL A 364 -23.426 31.021 51.742 1.00 19.57 A N

ATOM 973 CA VAL A 364 -22.674 30.744 50.524 1.00 18.93 A C

ATOM 975 CB VAL A 364 -21.221 31.299 50.616 1.00 19.00 A C

ATOM 977 CG1 VAL A 364 -20.338 30.713 49.533 1.00 20.51 A C

ATOM 981 CG2 VAL A 364 -21.215 32.824 50.528 1.00 18.67 A C

ATOM 985 C VAL A 364 -22.673 29.230 50.295 1.00 17.70 A C

ATOM 986 O VAL A 364 -22.556 28.448 51.240 1.00 15.90 A O

ATOM 987 N ASP A 365 -22.823 28.822 49.043 1.00 16.00 A N

ATOM 989 CA ASP A 365 -22.861 27.412 48.700 1.00 15.67 A C

ATOM 991 CB ASP A 365 -24.243 27.039 48.165 1.00 16.22 A C

ATOM 994 CG ASP A 365 -24.468 25.548 48.122 1.00 15.57 A C

ATOM 995 OD1 ASP A 365 -23.535 24.779 48.434 1.00 15.75 A O

ATOM 996 OD2 ASP A 365 -25.554 25.048 47.782 1.00 18.06 A O

ATOM 997 C ASP A 365 -21.809 27.110 47.657 1.00 16.33 A C

ATOM 998 O ASP A 365 -21.844 27.653 46.555 1.00 17.71 A O

ATOM 999 N CYS A 366 -20.874 26.233 48.003 1.00 16.86 A N

ATOM 1001 CA CYS A 366 -19.781 25.890 47.109 1.00 16.41 A C

ATOM 1003 CB CYS A 366 -18.587 25.396 47.919 1.00 17.48 A C

ATOM 1006 SG CYS A 366 -17.865 26.664 48.984 1.00 13.34 A S

ATOM 1007 C CYS A 366 -20.208 24.843 46.085 1.00 17.54 A C

ATOM 1008 O CYS A 366 -19.471 24.544 45.144 1.00 17.46 A O

ATOM 1009 N GLY A 367 -21.406 24.293 46.269 1.00 16.48 A N

ATOM 1011 CA GLY A 367 -21.969 23.350 45.322 1.00 15.43 A C

ATOM 1014 C GLY A 367 -21.402 21.964 45.519 1.00 15.24 A C

ATOM 1015 O GLY A 367 -20.483 21.787 46.302 1.00 13.84 A O

ATOM 1016 N PRO A 368 -21.958 20.978 44.821 1.00 17.73 A N

ATOM 1017 CA PRO A 368 -21.454 19.604 44.891 1.00 18.75 A C

ATOM 1019 CB PRO A 368 -22.339 18.846 43.893 1.00 19.38 A C

ATOM 1022 CG PRO A 368 -23.561 19.687 43.738 1.00 18.90 A C

ATOM 1025 CD PRO A 368 -23.117 21.102 43.919 1.00 18.39 A C

ATOM 1028 C PRO A 368 -19.996 19.541 44.462 1.00 18.96 A C

ATOM 1029 O PRO A 368 -19.623 20.167 43.470 1.00 19.97 A O

ATOM 1030 N PRO A 369 -19.174 18.814 45.203 1.00 20.20 A N

ATOM 1031 CA PRO A 369 -17.745 18.759 44.899 1.00 21.44 A C

ATOM 1033 CB PRO A 369 -17.152 18.041 46.111 1.00 22.21 A C

ATOM 1036 CG PRO A 369 -18.279 17.243 46.691 1.00 21.56 A C

ATOM 1039 CD PRO A 369 -19.531 17.990 46.370 1.00 21.06 A C

ATOM 1042 C PRO A 369 -17.508 17.981 43.623 1.00 21.10 A C

ATOM 1043 O PRO A 369 -18.164 16.966 43.401 1.00 21.29 A O

ATOM 1044 N ASP A 370 -16.600 18.466 42.784 1.00 20.99 A N

ATOM 1046 CA ASP A 370 -16.300 17.802 41.529 1.00 21.46 A C

ATOM 1048 CB ASP A 370 -15.280 18.612 40.728 1.00 22.68 A C

ATOM 1051 CG ASP A 370 -15.890 19.831 40.060 1.00 23.68 A C

ATOM 1052 OD1 ASP A 370 -17.119 19.849 39.841 1.00 23.18 A O

ATOM 1053 OD2 ASP A 370 -15.211 20.821 39.714 1.00 25.59 A O

ATOM 1054 C ASP A 370 -15.752 16.399 41.767 1.00 22.73 A C

ATOM 1055 O ASP A 370 -15.122 16.125 42.800 1.00 22.49 A O

ATOM 1056 N ASP A 371 -15.988 15.523 40.794 1.00 24.03 A N

ATOM 1058 CA ASP A 371 -15.472 14.163 40.837 1.00 24.50 A C

ATOM 1060 CB ASP A 371 -16.058 13.323 39.702 1.00 26.33 A C

ATOM 1063 CG ASP A 371 -17.565 13.151 39.809 1.00 28.24 A C

ATOM 1064 OD1 ASP A 371 -18.124 13.275 40.922 1.00 29.58 A O

ATOM 1065 OD2 ASP A 371 -18.275 12.881 38.820 1.00 30.35 A O

ATOM 1066 C ASP A 371 -13.961 14.206 40.703 1.00 23.37 A C

ATOM 1067 O ASP A 371 -13.425 14.970 39.900 1.00 23.84 A O

ATOM 1068 N LEU A 372 -13.277 13.391 41.500 1.00 22.57 A N

ATOM 1070 CA LEU A 372 -11.828 13.286 41.419 1.00 21.37 A C

ATOM 1072 CB LEU A 372 -11.223 13.167 42.824 1.00 21.13 A C

ATOM 1075 CG LEU A 372 -9.751 12.775 42.953 1.00 20.25 A C

ATOM 1077 CD1 LEU A 372 -8.845 13.755 42.237 1.00 20.46 A C

ATOM 1081 CD2 LEU A 372 -9.376 12.680 44.417 1.00 21.41 A C

ATOM 1085 C LEU A 372 -11.488 12.057 40.583 1.00 21.48 A C

ATOM 1086 O LEU A 372 -11.783 10.939 40.991 1.00 23.26 A O

ATOM 1087 N PRO A 373 -10.901 12.256 39.406 1.00 21.97 A N

ATOM 1088 CA PR0 A 373 -10.443 11.128 38.580 1.00 21.99 A C

ATOM 1090 CB PRO A 373 -9.701 11.808 37.421 1.00 21.59 A C

ATOM 1093 CG PRO A 373 -10.264 13.191 37.350 1.00 22.12 A C

ATOM 1096 CD PRO A 373 -10.650 13.557 38.759 1.00 22.29 A C

ATOM 1099 C PRO A 373 -9.497 10.185 39.333 1.00 21.51 A C

ATOM 1100 O PRO A 373 -8.524 10.639 39.942 1.00 20.30 A O

ATOM 1101 N SER A 374 -9.796 8.889 39.277 1.00 21.18 A N

ATOM 1103 CA SER A 374 -9.015 7.858 39.963 1.00 21.12 A C

ATOM 1105 CB SER A 374 -7.559 7.868 39.490 1.00 20.91 A C

ATOM 1108 OG SER A 374 -7.470 7.431 38.143 1.00 23.23 A O

ATOM 1110 C SER A 374 -9.096 8.006 41.484 1.00 19.96 A C

ATOM 1111 O SER A 374 -8.250 7.503 42.218 1.00 19.69 A O

ATOM 1112 N GLY A 375 -10.137 8.679 41.948 1.00 19.61 A N

ATOM 1114 CA GLY A 375 -10.322 8.923 43.366 1.00 19.49 A C

ATOM 1117 C GLY A 375 -11.790 8.956 43.733 1.00 19.40 A C

ATOM 1118 O GLY A 375 -12.654 8.597 42.932 1.00 20.59 A O

ATOM 1119 N ARG A 376 -12.067 9.389 44.956 1.00 20.29 A N

ATOM 1121 CA ARG A 376 -13.428 9.481 45.461 1.00 20.79 A C

ATOM 1123 CB ARG A 376 -13.847 8.150 46.090 1.00 22.91 A C

ATOM 1126 CG ARG A 376 -13.175 7.849 47.430 1.00 24.76 A C

ATOM 1129 CD ARG A 376 -13.337 6.409 47.907 1.00 27.11 A C

ATOM 1132 NE ARG A 376 -12.173 5.955 48.667 1.00 29.76 A N

ATOM 1134 CZ ARG A 376 -11.039 5.513 48.125 1.00 31.61 A C

ATOM 1135 NH1 ARG A 376 -10.894 5.449 46.806 1.00 33.30 A N

ATOM 1138 NH2 ARG A 376 -10.036 5.134 48.906 1.00 32.38 A N

ATOM 1141 C ARG A 376 -13.503 10.601 46.491 1.00 19.86 A C

ATOM 1142 O ARG A 376 -12.468 11.100 46.943 1.00 19.69 A O

ATOM 1143 N VAL A 377 -14.721 10.987 46.865 1.00 19.08 A N

ATOM 1145 CA VAL A 377 -14.926 12.061 47.837 1.00 18.17 A C

ATOM 1147 CB VAL A 377 -15.557 13.326 47.189 1.00 18.53 A C

ATOM 1149 CG1 VAL A 377 -17.081 13.198 47.074 1.00 19.32 A C

ATOM 1153 CG2 VAL A 377 -15.187 14.576 47.980 1.00 18.01 A C

ATOM 1157 C VAL A 377 -15.786 11.622 49.014 1.00 17.06 A C

ATOM 1158 O VAL A 377 -16.671 10.782 48.878 1.00 17.16 A O

AT0M 1159 N GLU A 378 -15.511 12.216 50.168 1.00 17.70 A N

ATOM 1161 CA GLU A 378 -16.238 11.938 51.399 1.00 17.47 A C

ATOM 1163 CB GLU A 378 -15.323 11.178 52.360 1.00 19.62 A C

ATOM 1166 CG GLU A 378 -15.917 10.832 53.721 1.00 22.94 A C

ATOM 1169 CD GLU A 378 -14.988 9.944 54.547 1.00 25.04 A C

ATOM 1170 OE1 GLU A 378 -15.417 9.439 55.609 1.00 25.08 A O

ATOM 1171 OE2 GLU A 378 -13.820 9.745 54.126 1.00 27.34 A O

ATOM 1172 C GLU A 378 -16.682 13.270 52.008 1.00 15.82 A C

ATOM 1173 O GLU A 378 -15.926 14.233 52.005 1.00 10.10 A O

ATOM 1174 N TYR A 379 -17.922 13.322 52.494 1.00 16.85 A N

ATOM 1176 CA TYR A 379 -18.433 14.484 53.215 1.00 18.94 A C

ATOM 1178 CB TYR A 379 -19.955 14.609 53.060 1.00 21.35 A C

ATOM 1181 CG TYR A 379 -20.419 14.987 51.674 1.00 22.39 A C

ATOM 1182 CD1 TYR A 379 -20.666 14.015 50.716 1.00 23.85 A C

ATOM 1184 CE1 TYR A 379 -21.094 14.358 49.440 1.00 25.58 A C

ATOM 1186 CZ TYR A 379 -21.288 15.686 49.119 1.00 26.07 A C

ATOM 1187 OH TYR A 379 -21.711 16.028 47.856 1.00 26.90 A O

ATOM 1189 CE2 TYR A 379 -21.054 16.670 50.057 1.00 24.87 A C

ATOM 1191 CD2 TYR A 379 -20.626 16.316 51.329 1.00 23.82 A C

ATOM 1193 C TYR A 379 -18.106 14.327 54.691 1.00 17.89 A C

ATOM 1194 O TYR A 379 -18.501 13.339 55.312 1.00 16.83 A O

ATOM 1195 N ILE A 380 -17.391 15.302 55.248 1.00 17.21 A N

ATOM 1197 CA ILE A 380 -16.974 15.254 56.648 1.00 17.79 A C

ATOM 1199 CB ILE A 380 -15.584 15.934 56.823 1.00 18.87 A C

ATOM 1201 CG1 ILE A 380 -14.523 15.237 55.958 1.00 19.37 A C

ATOM 1204 CD1 ILE A 380 -14.247 13.787 56.322 1.00 20.00 A C

ATOM 1208 CG2 ILE A 380 -15.158 15.955 58.291 1.00 19.02 A C

ATOM 1212 C ILE A 380 -18.019 15.902 57.558 1.00 16.51 A C

ATOM 1213 O ILE A 380 -18.438 15.308 58.543 1.00 16.62 A O

ATOM 1214 N THR A 381 -18.446 17.112 57.222 1.00 16.62 A N

ATOM 1216 CA THR A 381 -19.440 17.822 58.031 1.00 16.72 A C

ATOM 1218 CB THR A 381 -19.665 19.235 57.475 1.00 16.89 A C

ATOM 1220 OG1 THR A 381 -18.425 19.943 57.448 1.00 17.09 A O

ATOM 1222 CG2 THR A 381 -20.534 20.064 58.405 1.00 17.22 A C

ATOM 1226 C THR A 381 -20.761 17.067 58.064 1.00 16.69 A C

ATOM 1227 O THR A 381 -21.370 16.913 59.119 1.00 16.36 A O

ATOM 1228 N GLY A 382 -21.198 16.586 56.908 1.00 17.18 A N

ATOM 1230 CA GLY A 382 -22.446 15.848 56.832 1.00 18.82 A C

ATOM 1233 C GLY A 382 -22.859 15.576 55.400 1.00 17.53 A C

ATOM 1234 O GLY A 382 -22.501 16.327 54.506 1.00 19.11 A O

ATOM 1235 N PRO A 383 -23.626 14.512 55.185 1.00 17.06 A N

ATOM 1236 CA PRO A 383 -24.011 14.093 53.834 1.00 16.15 A C

ATOM 1238 CB PRO A 383 -25.042 12.991 54.094 1.00 16.06 A C

ATOM 1241 CG PRO A 383 -24.649 12.433 55.410 1.00 16.63 A C

ATOM 1244 CD PRO A 383 -24.189 13.621 56.217 1.00 16.76 A C

ATOM 1247 C PRO A 383 -24.622 15.210 52.998 1.00 16.44 A C

ATOM 1248 O PRO A 383 -25.636 15.787 53.377 1.00 16.46 A O

ATOM 1249 N GLY A 384 -23.983 15.518 51.874 1.00 17.68 A N

ATOM 1251 CA GLY A 384 -24.517 16.458 50.902 1.00 18.43 A C

ATOM 1254 C GLY A 384 -24.397 17.924 51.269 1.00 18.73 A C

ATOM 1255 O GLY A 384 -24.866 18.785 50.520 1.00 19.45 A O

ATOM 1256 N VAL A 385 -23.772 18.206 52.411 1.00 18.92 A N

ATOM 1258 CA VAL A 385 -23.631 19.569 52.919 1.00 18.52 A C

ATOM 1260 CB VAL A 385 -23.402 19.568 54.446 1.00 20.01 A C

ATOM 1262 CG1 VAL A 385 -23.261 20.996 54.991 1.00 19.57 A C

ATOM 1266 CG2 VAL A 385 -24.544 18.834 55.167 1.00 20.60 A C

ATOM 1270 C VAL A 385 -22.456 20.253 52.207 1.00 17.75 A C

ATOM 1271 O VAL A 385 -21.329 19.758 52.232 1.00 18.14 A O

ATOM 1272 N THR A 386 -22.731 21.380 51.560 1.00 16.51 A N

ATOM 1274 CA THR A 386 -21.754 22.028 50.689 1.00 16.33 A C

ATOM 1276 CB THR A 386 -22.133 21.797 49.206 1.00 15.72 A C

ATOM 1278 OG1 THR A 386 -23.476 22.244 48.972 1.00 15.27 A O

ATOM 1280 CG2 THR A 386 -22.164 20.322 48.865 1.00 14.59 A C

ATOM 1284 C THR A 386 -21.643 23.527 50.925 1.00 16.27 A C

ATOM 1285 O THR A 386 -21.061 24.236 50.110 1.00 16.53 A O

ATOM 1286 N THR A 387 -22.187 24.004 52.037 1.00 17.44 A N

ATOM 1288 CA THR A 387 -22.249 25.436 52.311 1.00 18.00 A C

ATOM 1290 CB THR A 387 -23.547 25.766 53.079 1.00 17.22 A C

ATOM 1292 OG1 THR A 387 -23.785 24.767 54.079 1.00 16.49 A O

ATOM 1294 CG2 THR A 387 -24.756 25.666 52.166 1.00 17.52 A C

ATOM 1298 C THR A 387 -21.046 25.921 53.109 1.00 18.18 A C

ATOM 1299 O THR A 387 -20.183 25.138 53.478 1.00 19.11 A O

ATOM 1300 N TYR A 388 -21.014 27.225 53.373 1.00 18.98 A N

ATOM 1302 CA TYR A 388 -19.914 27.878 54.072 1.00 19.26 A C

ATOM 1304 CB TYR A 388 -20.393 29.241 54.594 1.00 19.77 A C

ATOM 1307 CG TYR A 388 -19.323 30.090 55.249 1.00 19.27 A C

ATOM 1308 CD1 TYR A 388 -18.193 30.482 54.547 1.00 19.12 A C

ATOM 1310 CE1 TYR A 388 -17.215 31.266 55.141 1.00 19.12 A C

ATOM 1312 CZ TYR A 388 -17.366 31.668 56.451 1.00 18.78 A C

ATOM 1313 OH TYR A 388 -16.397 32.445 57.042 1.00 20.41 A O

ATOM 1315 CE2 TYR A 388 -18.481 31.294 57.173 1.00 19.19 A C

ATOM 1317 CD2 TYR A 388 -19.453 30.509 56.569 1.00 19.98 A C

ATOM 1319 C TYR A 388 -19.370 27.031 55.230 1.00 18.75 A C

ATOM 1320 O TYR A 388 -20.115 26.630 56.123 1.00 17.54 A O

ATOM 1321 N LYS A 389 -18.069 26.756 55.177 1.00 18.01 A N

ATOM 1323 CA LYS A 389 -17.329 26.050 56.230 1.00 18.54 A C

ATOM 1325 CB LYS A 389 -17.552 26.698 57.605 1.00 19.24 A C

ATOM 1328 CG LYS A 389 -16.812 28.018 57.799 1.00 19.80 A C

ATOM 1331 CD LYS A 389 -15.314 27.881 57.547 1.00 21.04 A C

ATOM 1334 CE LYS A 389 -14.571 29.176 57.850 1.00 21.61 A C

ATOM 1337 NZ LYS A 389 -13.585 29.507 56.781 1.00 22.17 A N

ATOM 1341 C LYS A 389 -17.580 24.542 56.314 1.00 18.28 A C

ATOM 1342 O LYS A 389 -17.080 23.892 57.223 1.00 15.09 A O

ATOM 1343 N ALA A 390 -18.322 23.982 55.360 1.00 18.30 A N

ATOM 1345 CA ALA A 390 -18.461 22.533 55.278 1.00 17.60 A C

ATOM 1347 CB ALA A 390 -19.561 22.152 54.302 1.00 18.57 A C

ATOM 1351 C ALA A 390 -17.128 21.938 54.828 1.00 17.31 A C

ATOM 1352 O ALA A 390 -16.379 22.569 54.079 1.00 16.90 A O

ATOM 1353 N VAL A 391 -16.840 20.722 55.276 1.00 15.51 A N

ATOM 1355 CA VAL A 391 -15.565 20.080 54.994 1.00 13.99 A C

ATOM 1357 CB VAL A 391 -14.846 19.700 56.299 1.00 12.90 A C

ATOM 1359 CG1 VAL A 391 -13.418 19.252 56.027 1.00 12.12 A C

ATOM 1363 CG2 VAL A 391 -14.870 20.873 57.283 1.00 13.69 A C

ATOM 1367 C VAL A 391 -15.797 18.815 54.183 1.00 14.45 A C

ATOM 1368 O VAL A 391 -16.686 18.037 54.507 1.00 14.21 A O

ATOM 1369 N ILE A 392 -15.008 18.629 53.125 1.00 14.05 A N

ATOM 1371 CA ILE A 392 -14.993 17.381 52.355 1.00 14.57 A C

ATOM 1373 CB ILE A 392 -15.523 17.589 50.909 1.00 15.18 A C

ATOM 1375 CG1 ILE A 392 -14.765 18.722 50.208 1.00 15.25 A C

ATOM 1378 CD1 ILE A 392 -14.929 18.739 48.695 1.00 15.46 A C

ATOM 1382 CG2 ILE A 392 -17.026 17.860 50.919 1.00 15.98 A C

ATOM 1386 C ILE A 392 -13.569 16.821 52.306 1.00 15.04 A C

ATOM 1387 O ILE A 392 -12.596 17.546 52.525 1.00 14.21 A O

ATOM 1388 N GLN A 393 -13.451 15.531 52.017 1.00 13.10 A N

ATOM 1390 CA GLN A 393 -12.161 14.864 52.049 1.00 13.81 A C

ATOM 1392 CB GLN A 393 -11.987 14.078 53.355 1.00 14.86 A C

ATOM 1395 CG GLN A 393 -10.738 13.196 53.413 1.00 17.74 A C

ATOM 1398 CD GLN A 393 -9.468 13.963 53.779 1.00 19.32 A C

ATOM 1399 OE1 GLN A 393 -9.341 14.481 54.890 1.00 20.40 A O

ATOM 1400 NE2 GLN A 393 -8.522 14.022 52.846 1.00 19.14 A N

ATOM 1403 C GLN A 393 -12.019 13.941 50.853 1.00 13.77 A C

ATOM 1404 O GLN A 393 -12.743 12.955 50.719 1.00 12.31 A O

ATOM 1405 N TYR A 394 -11.067 14.279 49.992 1.00 13.13 A N

ATOM 1407 CA TYR A 394 -10.741 13.482 48.831 1.00 14.04 A C

ATOM 1409 CB TYR A 394 -10.152 14.381 47.751 1.00 15.48 A C

ATOM 1412 CG TYR A 394 -11.184 15.180 47.008 1.00 15.52 A C

ATOM 1413 CD1 TYR A 394 -11.384 16.522 47.285 1.00 15.48 A C

ATOM 1415 CE1 TYR A 394 -12.342 17.256 46.602 1.00 16.28 A C

ATOM 1417 CZ TYR A 394 -13.103 16.647 45.633 1.00 16.75 A C

ATOM 1418 OH TYR A 394 -14.049 17.374 44.940 1.00 17.48 A O

ATOM 1420 CE2 TYR A 394 -12.916 15.310 45.338 1.00 16.75 A C

ATOM 1422 CD2 TYR A 394 -11.965 14.589 46.022 1.00 17.73 A C

ATOM 1424 C TYR A 394 -9.756 12.366 49.169 1.00 13.92 A C

ATOM 1425 O TYR A 394 -8.912 12.514 50.046 1.00 15.56 A O

ATOM 1426 N SER A 395 -9.888 11.255 48.454 1.00 14.29 A N

ATOM 1428 CA SER A 395 -9.032 10.082 48.598 1.00 16.45 A C

ATOM 1430 CB SER A 395 -9.758 8.981 49.374 1.00 16.81 A C

ATOM 1433 OG SER A 395 -9.511 9.058 50.758 1.00 20.77 A O

ATOM 1435 C SER A 395 -8.737 9.549 47.201 1.00 17.27 A C

ATOM 1436 O SER A 395 -9.574 9.653 46.316 1.00 18.28 A O

ATOM 1437 N CYS A 396 -7.562 8.960 47.014 1.00 19.07 A N

ATOM 1439 CA CYS A 396 -7.212 8.315 45.754 1.00 19.45 A C

ATOM 1441 CB CYS A 396 -5.764 8.649 45.392 1.00 21.18 A C

ATOM 1444 SG CYS A 396 -5.518 10.376 44.918 1.00 22.65 A S

ATOM 1445 C CYS A 396 -7.391 6.802 45.866 1.00 19.51 A C

ATOM 1446 O CYS A 396 -7.343 6.253 46.961 1.00 21.67 A O

ATOM 1447 N GLU A 397 -7.592 6.125 44.740 1.00 21.29 A N

ATOM 1449 CA GLU A 397 -7.691 4.663 44.737 1.00 23.17 A C

ATOM 1451 CB GLU A 397 -7.939 4.132 43.323 1.00 24.96 A C

ATOM 1454 CG GLU A 397 -9.415 4.091 42.946 1.00 26.97 A C

ATOM 1457 CD GLU A 397 -9.667 4.316 41.461 1.00 29.17 A C

ATOM 1458 OE1 GLU A 397 -8.933 3.738 40.630 1.00 29.06 A O

ATOM 1459 OE2 GLU A 397 -10.611 5.068 41.125 1.00 30.34 A O

ATOM 1460 C GLU A 397 -6.433 4.039 45.357 1.00 23.07 A C

ATOM 1461 O GLU A 397 -5.307 4.427 45.037 1.00 22.69 A O

ATOM 1462 N GLU A 398 -6.657 3.043 46.211 1.00 23.79 A N

ATOM 1464 CA GLU A 398 -5.727 2.660 47.280 1.00 25.43 A C

ATOM 1466 CB GLU A 398 -6.342 1.532 48.133 1.00 25.95 A C

ATOM 1469 CG GLU A 398 -6.257 0.138 47.518 1.00 27.03 A C

ATOM 1472 CD GLU A 398 -6.781 -0.961 48.435 1.00 27.74 A C

ATOM 1473 OE1 GLU A 398 -8.016 -1.088 48.576 1.00 28.75 A O

ATOM 1474 OE2 GLU A 398 -5.958 -1.709 49.007 1.00 27.37 A O

ATOM 1475 C GLU A 398 -4.292 2.273 46.900 1.00 27.18 A C

ATOM 1476 O GLU A 398 -3.349 2.694 47.579 1.00 31.37 A O

ATOM 1477 N THR A 399 -4.099 1.464 45.865 1.00 24.35 A N

ATOM 1479 CA THR A 399 -2.775 0.864 45.678 1.00 24.14 A C

ATOM 1481 CB THR A 399 -2.863 -0.699 45.651 1.00 25.14 A C

ATOM 1483 OG1 THR A 399 -1.654 -1.260 45.120 1.00 24.46 A O

ATOM 1485 CG2 THR A 399 -3.956 -1.202 44.702 1.00 25.65 A C

ATOM 1489 C THR A 399 -2.014 1.405 44.467 1.00 22.83 A C

ATOM 1490 O THR A 399 -0.787 1.434 44.470 1.00 22.82 A O

ATOM 1491 N PHE A 400 -2.736 1.865 43.452 1.00 21.49 A N

ATOM 1493 CA PHE A 400 -2.104 2.296 42.215 1.00 19.02 A C

ATOM 1495 CB PHE A 400 -2.874 1.722 41.027 1.00 18.24 A C

ATOM 1498 CG PHE A 400 -2.780 0.233 40.932 1.00 17.84 A C

ATOM 1499 CD1 PHE A 400 -3.889 -0.564 41.161 1.00 17.67 A C

ATOM 1501 CE1 PHE A 400 -3.793 -1.941 41.096 1.00 17.31 A C

ATOM 1503 CZ PHE A 400 -2.576 -2.536 40.804 1.00 17.75 A C

ATOM 1505 CE2 PHE A 400 -1.459 -1.754 40.586 1.00 17.45 A C

ATOM 1507 CD2 PHE A 400 -1.563 -0.377 40.656 1.00 18.22 A C

ATOM 1509 C PHE A 400 -1.960 3.810 42.096 1.00 18.23 A C

ATOM 1510 O PHE A 400 -1.259 4.294 41.203 1.00 16.67 A O

ATOM 1511 N TYR A 401 -2.603 4.552 42.996 1.00 17.53 A N

ATOM 1513 CA TYR A 401 -2.513 6.012 42.991 1.00 18.11 A C

ATOM 1515 CB TYR A 401 -3.844 6.635 42.544 1.00 17.46 A C

ATOM 1518 CG TYR A 401 -4.236 6.287 41.128 1.00 16.23 A C

ATOM 1519 CD1 TYR A 401 -3.872 7.103 40.063 1.00 16.79 A C

ATOM 1521 CE1 TYR A 401 -4.224 6.782 38.756 1.00 15.90 A C

ATOM 1523 CZ TYR A 401 -4.945 5.633 38.509 1.00 15.47 A C

ATOM 1524 OH TYR A 401 -5.297 5.307 37.227 1.00 15.82 A O

ATOM 1526 CE2 TYR A 401 -5.318 4.808 39.547 1.00 16.72 A C

ATOM 1528 CD2 TYR A 401 -4.961 5.137 40.850 1.00 16.61 A C

ATOM 1530 C TYR A 401 -2.126 6.574 44.357 1.00 19.87 A C

ATOM 1531 O TYR A 401 -2.472 6.014 45.399 1.00 21.14 A O

ATOM 1532 N THR A 402 -1.400 7.686 44.337 1.00 20.93 A N

ATOM 1534 CA THR A 402 -1.085 8.433 45.551 1.00 23.45 A C

ATOM 1536 CB THR A 402 0.418 8.354 45.892 1.00 23.76 A C

ATOM 1538 OG1 THR A 402 0.759 9.406 46.800 1.00 25.11 A O

ATOM 1540 CG2 THR A 402 1.292 8.634 44.673 1.00 24.00 A C

ATOM 1544 C THR A 402 -1.506 9.891 45.384 1.00 23.67 A C

ATOM 1545 O THR A 402 -1.536 10.418 44.270 1.00 20.27 A O

ATOM 1546 N MET A 403 -1.826 10.539 46.499 1.00 25.30 A N

ATOM 1548 CA MET A 403 -2.324 11.910 46.463 1.00 27.74 A C

ATOM 1550 CB MET A 403 -3.293 12.149 47.611 1.00 28.82 A C

ATOM 1553 CG MET A 403 -3.666 13.610 47.785 1.00 31.21 A C

ATOM 1556 SD MET A 403 -5.381 13.927 47.394 1.00 32.05 A S

ATOM 1557 CE MET A 403 -6.120 13.284 48.826 1.00 31.16 A C

ATOM 1561 C MET A 403 -1.200 12.935 46.536 1.00 28.26 A C

ATOM 1562 O MET A 403 -0.398 12.925 47.465 1.00 26.90 A O

ATOM 1563 N LYS A 404 -1.159 13.820 45.543 1.00 29.90 A N

ATOM 1565 CA LYS A 404 -0.223 14.938 45.532 1.00 30.74 A C

ATOM 1567 CB LYS A 404 0.602 14.931 44.244 1.00 30.58 A C

ATOM 1570 CG LYS A 404 1.271 13.602 43.926 1.00 30.77 A C

ATOM 1573 CD LYS A 404 2.090 13.080 45.100 1.00 31.26 A C

ATOM 1576 CE LYS A 404 3.214 12.152 44.642 1.00 31.13 A C

ATOM 1579 NZ LYS A 404 4.341 12.126 45.614 1.00 31.21 A N

ATOM 1583 C LYS A 404 -0.979 16.262 45.654 1.00 31.15 A C

ATOM 1584 O LYS A 404 -2.211 16.284 45.600 1.00 30.09 A O

ATOM 1585 N VAL A 405 -0.227 17.352 45.828 1.00 32.46 A N

ATOM 1587 CA VAL A 405 -0.763 18.724 45.840 1.00 33.62 A C

ATOM 1589 CB VAL A 405 -1.761 18.974 44.657 1.00 34.45 A C

ATOM 1591 CG1 VAL A 405 -2.154 20.452 44.577 1.00 34.71 A C

ATOM 1595 CG2 VAL A 405 -1.154 18.532 43.326 1.00 35.32 A C

ATOM 1599 C VAL A 405 -1.411 19.155 47.175 1.00 33.62 A C

ATOM 1600 O VAL A 405 -1.547 20.353 47.433 1.00 37.10 A O

ATOM 1601 N ASN A 406 -1.815 18.187 48.002 1.00 32.81 A N

ATOM 1603 CA ASN A 406 -2.336 18.443 49.358 1.00 31.64 A C

ATOM 1605 CB ASN A 406 -3.329 19.630 49.406 1.00 31.14 A C

ATOM 1608 CG ASN A 406 -4.587 19.400 48.578 1.00 31.54 A C

ATOM 1609 OD1 ASN A 406 -5.327 18.443 48.799 1.00 31.72 A O

ATOM 1610 ND2 ASN A 406 -4.848 20.304 47.638 1.00 31.58 A N

ATOM 1613 C ASN A 406 -2.929 17.162 49.979 1.00 29.93 A C

ATOM 1614 O ASN A 406 -2.804 16.084 49.401 1.00 29.58 A O

ATOM 1615 N ASP A 407 -3.556 17.279 51.152 1.00 28.28 A N

ATOM 1617 CA ASP A 407 -4.048 16.113 51.904 1.00 25.64 A C

ATOM 1619 CB ASP A 407 -3.849 16.326 53.414 1.00 27.02 A C

ATOM 1622 CG ASP A 407 -4.793 17.383 54.006 1.00 28.58 A C

ATOM 1623 OD1 ASP A 407 -5.369 18.193 53.256 1.00 28.82 A O

ATOM 1624 OD2 ASP A 407 -5.018 17.484 55.231 1.00 31.76 A O

ATOM 1625 C ASP A 407 -5.516 15.752 51.610 1.00 22.21 A C

ATOM 1626 O ASP A 407 -6.090 14.884 52.268 1.00 17.10 A O

ATOM 1627 N GLY A 408 -6.116 16.429 50.634 1.00 19.78 A N

ATOM 1629 CA GLY A 408 -7.462 16.108 50.187 1.00 19.00 A C

ATOM 1632 C GLY A 408 -8.593 16.792 50.936 1.00 18.40 A C

ATOM 1633 O GLY A 408 -9.752 16.619 50.579 1.00 16.41 A O

ATOM 1634 N LYS A 409 -8.268 17.553 51.977 1.00 16.85 A N

ATOM 1636 CA LYS A 409 -9.280 18.229 52.766 1.00 17.37 A C

ATOM 1638 CB LYS A 409 -8.836 18.343 54.223 1.00 18.01 A C

ATOM 1641 CG LYS A 409 -9.957 18.624 55.197 1.00 19.78 A C

ATOM 1644 CD LYS A 409 -9.461 18.634 56.661 1.00 21.71 A C

ATOM 1647 CE LYS A 409 -9.157 17.226 57.173 1.00 22.89 A C

ATOM 1650 NZ LYS A 409 -9.242 17.119 58.672 1.00 24.20 A N

ATOM 1654 C LYS A 409 -9.559 19.613 52.196 1.00 15.80 A C

ATOM 1655 O LYS A 409 -8.644 20.422 52.020 1.00 16.49 A O

ATOM 1656 N TYR A 410 -10.830 19.872 51.911 1.00 13.37 A N

ATOM 1658 CA TYR A 410 -11.272 21.159 51.399 1.00 13.79 A C

ATOM 1660 CB TYR A 410 -11.740 21.035 49.943 1.00 13.87 A C

ATOM 1663 CG TYR A 410 -10.604 20.798 48.978 1.00 13.79 A C

ATOM 1664 CD1 TYR A 410 -9.960 19.566 48.927 1.00 14.35 A C

ATOM 1666 CE1 TYR A 410 -8.907 19.344 48.059 1.00 15.06 A C

ATOM 1668 CZ TYR A 410 -8.491 20.355 47.218 1.00 15.57 A C

ATOM 1669 OH TYR A 410 -7.444 20.129 46.357 1.00 18.55 A O

ATOM 1671 CE2 TYR A 410 -9.108 21.589 47.248 1.00 14.51 A C

ATOM 1673 CD2 TYR A 410 -10.164 21.804 48.130 1.00 15.31 A C

ATOM 1675 C TYR A 410 -12.400 21.697 52.258 1.00 13.77 A C

ATOM 1676 O TYR A 410 -13.255 20.944 52.723 1.00 13.98 A O

ATOM 1677 N VAL A 411 -12.380 23.005 52.469 1.00 15.31 A N

ATOM 1679 CA VAL A 411 -13.405 23.700 53.226 1.00 16.57 A C

ATOM 1681 CB VAL A 411 -12.786 24.535 54.371 1.00 17.26 A C

ATOM 1683 CG1 VAL A 411 -13.877 25.173 55.238 1.00 18.36 A C

ATOM 1687 CG2 VAL A 411 -11.852 23.669 55.222 1.00 16.38 A C

ATOM 1691 C VAL A 411 -14.129 24.622 52.263 1.00 17.54 A C

ATOM 1692 O VAL A 411 -13.519 25.176 51.346 1.00 21.11 A O

ATOM 1693 N CYS A 412 -15.434 24.766 52.445 1.00 17.33 A N

ATOM 1695 CA CYS A 412 -16.206 25.691 51.636 1.00 17.12 A C

ATOM 1697 CB CYS A 412 -17.697 25.366 51.731 1.00 15.49 A C

ATOM 1700 SG CYS A 412 -18.739 26.516 50.815 1.00 16.83 A S

ATOM 1701 C CYS A 412 -15.943 27.096 52.159 1.00 17.54 A C

ATOM 1702 O CYS A 412 -16.318 27.404 53.274 1.00 18.16 A O

ATOM 1703 N GLU A 413 -15.281 27.944 51.377 1.00 19.83 A N

ATOM 1705 CA GLU A 413 -14.926 29.278 51.873 1.0O 21.13 A C

ATOM 1707 CB GLU A 413 -13.502 29.662 51.445 1.00 21.52 A C

ATOM 1710 CG GLU A 413 -12.418 28.755 52.021 1.00 22.37 A C

ATOM 1713 CD GLU A 413 -12.321 28.796 53.543 1.00 24.28 A C

ATOM 1714 OE1 GLU A 413 -11.524 28.007 54.104 1.00 25.61 A O

ATOM 1715 OE2 GLU A 413 -13.030 29.605 54.187 1.00 22.90 A O

ATOM 1716 C GLU A 413 -15.931 30.362 51.463 1.00 20.84 A C

ATOM 1717 O GLU A 413 -16.872 30.110 50.708 1.00 20.36 A O

ATOM 1718 N ALA A 414 -15.715 31.569 51.980 1.00 21.04 A N

ATOM 1720 CA ALA A 414 -16.642 32.686 51.813 1.00 20.24 A C

ATOM 1722 CB ALA A 414 -16.193 33.870 52.673 1.00 20.65 A C

ATOM 1726 C ALA A 414 -16.784 33.126 50.364 1.00 19.51 A C

ATOM 1727 O ALA A 414 -17.810 33.696 49.988 1.00 20.15 A O

ATOM 1728 N ASP A 415 -15.754 32.871 49.560 1.00 18.28 A N

ATOM 1730 CA ASP A 415 -15.768 33.248 48.147 1.00 19.72 A C

ATOM 1732 CB ASP A 415 -14.336 33.474 47.615 1.00 19.88 A C

ATOM 1735 CG ASP A 415 -13.450 32.228 47.707 1.00 21.51 A C

ATOM 1736 OD1 ASP A 415 -13.888 31.197 48.271 1.00 19.59 A O

ATOM 1737 OD2 ASP A 415 -12.286 32.199 47.239 1.00 21.92 A O

ATOM 1738 C ASP A 415 -16.513 32.239 47.280 1.00 18.59 A C

ATOM 1739 O ASP A 415 -16.603 32.402 46.061 1.00 19.14 A O

ATOM 1740 N GLY A 416 -17.041 31.193 47.908 1.00 18.80 A N

ATOM 1742 CA GLY A 416 -17.830 30.202 47.204 1.00 18.09 A C

ATOM 1745 C GLY A 416 -17.016 29.088 46.584 1.00 18.40 A C

ATOM 1746 O GLY A 416 -17.555 28.311 45.805 1.00 21.04 A O

ATOM 1747 N PHE A 417 -15.736 28.989 46.936 1.00 18.50 A N

ATOM 1749 CA PHE A 417 -14.869 27.935 46.405 1.00 17.81 A C

ATOM 1751 CB PHE A 417 -13.644 28.538 45.706 1.00 18.59 A C

ATOM 1754 CG PHE A 417 -13.949 29.153 44.368 1.00 18.46 A C

ATOM 1755 CD1 PHE A 417 -14.249 30.499 44.263 1.00 18.67 A C

ATOM 1757 CE1 PHE A 417 -14.541 31.065 43.041 1.00 19.13 A C

ATOM 1759 CZ PHE A 417 -14.525 30.286 41.905 1.00 20.25 A C

ATOM 1761 CE2 PHE A 417 -14.224 28.942 41.996 1.00 19.89 A C

ATOM 1763 CD2 PHE A 417 -13.939 28.382 43.223 1.00 18.36 A C

ATOM 1765 C PHE A 417 -14.389 26.962 47.483 1.00 16.86 A C

ATOM 1766 O PHE A 417 -13.973 27.367 48.572 1.00 15.71 A O

ATOM 1767 N TRP A 418 -14.450 25.676 47.158 1.00 14.99 A N

ATOM 1769 CA TRP A 418 -13.768 24.651 47.927 1.00 15.64 A C

ATOM 1771 CB TRP A 418 -13.994 23.273 47.315 1.00 15.47 A C

ATOM 1774 CG TRP A 418 -15.406 22.811 47.392 1.00 15.54 A C

ATOM 1775 CD1 TRP A 418 -16.283 22.690 46.358 1.00 16.15 A C

ATOM 1777 NE1 TRP A 418 -17.493 22.223 46.813 1.00 15.77 A N

ATOM 1779 CE2 TRP A 418 -17.413 22.029 48.165 1.00 15.17 A C

ATOM 1780 CD2 TRP A 418 -16.107 22.387 48.562 1.00 15.65 A C

ATOM 1781 CE3 TRP A 418 -15.768 22.277 49.916 1.00 15.36 A C

ATOM 1783 CZ3 TRP A 418 -16.721 21.823 50.803 1.00 13.38 A C

ATOM 1785 CH2 TRP A 418 -18.004 21.476 50.372 1.00 13.98 A C

ATOM 1787 CZ2 TRP A 418 -18.370 21.575 49.062 1.00 14.64 A C

ATOM 1789 C TRP A 418 -12.284 24.960 47.936 1.00 16.32 A C

ATOM 1790 O TRP A 418 -11.669 25.125 46.882 1.00 17.11 A O

ATOM 1791 N THR A 419 -11.711 25.007 49.131 1.00 15.51 A N

ATOM 1793 CA THR A 419 -10.379 25.555 49.327 1.00 14.82 A C

ATOM 1795 CB THR A 419 -10.499 26.930 50.002 1.00 13.42 A C

ATOM 1797 OG1 THR A 419 -11.374 27.779 49.243 1.00 13.69 A O

ATOM 1799 CG2 THR A 419 -9.171 27.660 50.003 1.00 13.03 A C

ATOM 1803 C THR A 419 -9.557 24.628 50.203 1.00 15.03 A C

ATOM 1804 O THR A 419 -9.999 24.236 51.275 1.00 17.45 A O

ATOM 1805 N SER A 420 -8.360 24.275 49.754 1.00 16.22 A N

ATOM 1807 CA SER A 420 -7.479 23.434 50.558 1.00 16.72 A C

ATOM 1809 CB SER A 420 -6.432 22.756 49.674 1.00 16.73 A C

ATOM 1812 OG SER A 420 -5.255 23.540 49.594 1.00 19.04 A O

ATOM 1814 C SER A 420 -6.782 24.232 51.669 1.00 15.00 A C

ATOM 1815 O SER A 420 -6.880 25.459 51.743 1.00 10.96 A O

ATOM 1816 N SER A 421 -6.063 23.508 52.518 1.00 16.22 A N

ATOM 1818 CA SER A 421 -5.298 24.102 53.608 1.00 17.22 A C

ATOM 1820 CB SER A 421 -4.712 22.993 54.484 1.00 18.01 A C

ATOM 1823 OG SER A 421 -4.008 22.043 53.697 1.00 19.84 A O

ATOM 1825 C SER A 421 -4.170 25.016 53.111 1.00 17.00 A C

ATOM 1826 O SER A 421 -3.716 25.902 53.837 1.00 17.25 A O

ATOM 1827 N LYS A 422 -3.709 24.781 51.885 1.00 16.28 A N

ATOM 1829 CA LYS A 422 -2.712 25.639 51.259 1.00 16.92 A C

ATOM 1831 CB LYS A 422 -1.810 24.813 50.338 1.00 16.75 A C

ATOM 1834 CG LYS A 422 -1.314 23.512 50.950 1.00 16.10 A C

ATOM 1837 CD LYS A 422 -0.253 22.864 50.081 1.00 16.62 A C

ATOM 1840 CE LYS A 422 0.126 21.488 50.597 1.00 16.78 A C

ATOM 1843 NZ LYS A 422 1.394 21.003 49.989 1.00 17.50 A N

ATOM 1847 C LYS A 422 -3.350 26.790 50.465 1.00 17.55 A C

ATOM 1848 O LYS A 422 -2.646 27.590 49.857 1.00 18.11 A O

ATOM 1849 N GLY A 423 -4.678 26.859 50.465 1.00 18.52 A N

ATOM 1851 CA GLY A 423 -5.401 27.925 49.793 1.00 19.72 A C

ATOM 1854 C GLY A 423 -5.741 27.608 48.347 1.00 21.08 A C

ATOM 1855 O GLY A 423 -6.151 28.486 47.599 1.00 22.74 A O

ATOM 1856 N GLU A 424 -5.571 26.351 47.953 1.00 22.18 A N

ATOM 1858 CA GLU A 424 -5.802 25.935 46.578 1.00 21.97 A C

ATOM 1860 CB GLU A 424 -5.036 24.642 46.292 1.00 23.46 A C

ATOM 1863 CG GLU A 424 -3.521 24.824 46.327 1.00 25.08 A C

ATOM 1866 CD GLU A 424 -2.776 23.625 46.895 1.00 25.70 A C

ATOM 1867 OE1 GLU A 424 -3.353 22.861 47.705 1.00 25.57 A O

ATOM 1868 OE2 GLU A 424 -1.595 23.453 46.530 1.00 28.13 A O

ATOM 1869 C GLU A 424 -7.286 25.733 46.293 1.00 20.54 A C

ATOM 1870 O GLU A 424 -7.995 25.111 47.074 1.00 19.86 A O

ATOM 1871 N LYS A 425 -7.746 26.262 45.165 1.00 19.58 A N

ATOM 1873 CA LYS A 425 -9.151 26.179 44.785 1.00 19.36 A C

ATOM 1875 CB LYS A 425 -9.699 27.582 44.538 1.00 19.74 A C

ATOM 1878 CG LYS A 425 -9.798 28.406 45.809 1.00 20.39 A C

ATOM 1881 CD LYS A 425 -9.860 29.899 45.524 1.00 21.59 A C

ATOM 1884 CE LYS A 425 -9.733 30.703 46.812 1.00 21.43 A C

ATOM 1887 NZ LYS A 425 -10.639 30.172 47.874 1.00 21.06 A N

ATOM 1891 C LYS A 425 -9.335 25.299 43.554 1.00 19.09 A C

ATOM 1892 O LYS A 425 -10.319 25.418 42.830 1.00 18.42 A O

ATOM 1893 N SER A 426 -8.374 24.411 43.329 1.00 19.20 A N

ATOM 1895 CA SER A 426 -8.471 23.407 42.282 1.00 19.57 A C

ATOM 1897 CB SER A 426 -7.293 23.537 41.325 1.00 19.28 A C

ATOM 1900 OG SER A 426 -7.582 24.455 40.286 1.00 18.88 A O

ATOM 1902 C SER A 426 -8.471 22.020 42.928 1.00 22.10 A C

ATOM 1903 O SER A 426 -8.082 21.870 44.088 1.00 22.07 A O

ATOM 1904 N LEU A 427 -8.916 21.013 42.183 1.00 23.41 A N

ATOM 1906 CA LEU A 427 -8.921 19.635 42.675 1.00 24.70 A C

ATOM 1908 CB LEU A 427 -9.541 18.700 41.630 1.00 25.01 A C

ATOM 1911 CG LEU A 427 -11.056 18.490 41.654 1.00 24.97 A C

ATOM 1913 CD1 LEU A 427 -11.523 17.811 40.381 1.00 26.70 A C

ATOM 1917 CD2 LEU A 427 -11.465 17.665 42.854 1.00 25.96 A C

ATOM 1921 C LEU A 427 -7.496 19.170 42.957 1.00 25.19 A C

ATOM 1922 O LEU A 427 -6.554 19.688 42.367 1.00 24.05 A O

ATOM 1923 N PRO A 428 -7.327 18.188 43.841 1.00 26.35 A N

ATOM 1924 CA PRO A 428 -6.012 17.571 44.021 1.00 26.97 A C

ATOM 1926 CB PRO A 428 -6.124 16.863 45.372 1.00 26.49 A C

ATOM 1929 CG PRO A 428 -7.589 16.626 45.588 1.00 26.48 A C

ATOM 1932 CD PRO A 428 -8.350 17.581 44.710 1.00 26.40 A C

ATOM 1935 C PRO A 428 -5.782 16.583 42.884 1.00 28.46 A C

ATOM 1936 O PRO A 428 -6.723 16.305 42.144 1.00 29.85 A O

ATOM 1937 N VAL A 429 -4.568 16.074 42.724 1.00 28.85 A N

ATOM 1939 CA VAL A 429 -4.312 15.133 41.641 1.00 29.42 A C

ATOM 1941 CB VAL A 429 -3.250 15.659 40.626 1.00 30.84 A C

ATOM 1943 CG1 VAL A 429 -3.599 17.069 40.163 1.00 30.91 A C

ATOM 1947 CG2 VAL A 429 -1.840 15.605 41.206 1.00 31.73 A C

ATOM 1951 C VAL A 429 -3.909 13.764 42.174 1.00 27.23 A C

ATOM 1952 O VAL A 429 -3.113 13.648 43.101 1.00 26.29 A O

ATOM 1953 N CYS A 430 -4.489 12.728 41.580 1.00 25.80 A N

ATOM 1955 CA CYS A 430 -4.153 11.358 41.925 1.00 23.10 A C

ATOM 1957 CB CYS A 430 -5.395 10.470 41.837 1.00 23.01 A C

ATOM 1960 SG CYS A 430 -6.547 10.750 43.207 1.00 21.26 A S

ATOM 1961 C CYS A 430 -3.077 10.882 40.975 1.00 21.68 A C

ATOM 1962 O CYS A 430 -3.365 10.547 39.829 1.00 22.85 A O

ATOM 1963 N GLU A 431 -1.833 10.897 41.452 1.00 20.67 A N

ATOM 1965 CA GLU A 431 -0.673 10.484 40.666 1.00 20.29 A C

ATOM 1967 CB GLU A 431 0.599 11.165 41.178 1.00 21.19 A C

AT0M 1970 CG GLU A 431 0.774 12.601 40.710 1.00 23.29 A C

ATOM 1973 CD GLU A 431 2.233 13.027 40.622 1.00 23.81 A C

ATOM 1974 OE1 GLU A 431 2.476 14.218 40.325 1.00 24.09 A O

ATOM 1975 OE2 GLU A 431 3.133 12.180 40.846 1.00 24.37 A O

ATOM 1976 C GLU A 431 -0.472 8.981 40.761 1.00 18.46 A C

ATOM 1977 O GLU A 431 -0.576 8.413 41.842 1.00 16.91 A O

ATOM 1978 N PRO A 432 -0.154 8.333 39.646 1.00 15.91 A N

ATOM 1979 CA PRO A 432 0.131 6.901 39.678 1.00 14.74 A C

ATOM 1981 CB PRO A 432 0.448 6.571 38.222 1.00 15.32 A C

ATOM 1984 CG PRO A 432 -0.132 7.681 37.438 1.00 16.18 A C

ATOM 1987 CD PRO A 432 -0.021 8.894 38.293 1.00 15.74 A C

ATOM 1990 C PRO A 432 1.343 6.617 40.550 1.00 13.86 A C

ATOM 1991 O PRO A 432 2.322 7.358 40.478 1.00 11.40 A O

ATOM 1992 N VAL A 433 1.276 5.574 41.369 1.00 13.66 A N

ATOM 1994 CA VAL A 433 2.467 5.094 42.050 1.00 16.09 A C

ATOM 1996 CB VAL A 433 2.154 4.074 43.179 1.00 17.22 A C

ATOM 1998 CG1 VAL A 433 1.039 4.596 44.111 1.00 16.92 A C

ATOM 2002 CG2 VAL A 433 1.797 2.721 42.607 1.00 17.81 A C

ATOM 2006 C VAL A 433 3.371 4.466 40.990 1.00 17.17 A C

ATOM 2007 O VAL A 433 2.906 3.773 40.086 1.00 16.62 A O

ATOM 2008 N CYS A 434 4.664 4.727 41.096 1.00 19.01 A N

ATOM 2010 CA CYS A 434 5.602 4.329 40.065 1.00 21.05 A C

ATOM 2012 CB CYS A 434 6.413 5.555 39.630 1.00 22.28 A C

ATOM 2015 SG CYS A 434 7.566 6.191 40.869 1.00 24.48 A S

ATOM 2016 C CYS A 434 6.522 3.200 40.537 1.00 21.81 A C

ATOM 2017 O CYS A 434 6.657 2.958 41.738 1.00 23.18 A O

ATOM 2018 N GLY A 435 7.117 2.488 39.584 1.00 22.19 A N

ATOM 2020 CA GLY A 435 8.207 1.570 39.865 1.00 23.12 A C

ATOM 2023 C GLY A 435 7.842 0.218 40.449 1.00 23.69 A C

ATOM 2024 O GLY A 435 8.718 -0.505 40.920 1.00 23.35 A O

ATOM 2025 N LEU A 436 6.558 -0.127 40.432 1.00 25.67 A N

ATOM 2027 CA LEU A 436 6.112 -1.436 40.898 1.00 25.07 A C

ATOM 2029 CB LEU A 436 4.610 -1.416 41.215 1.00 24.89 A C

ATOM 2032 CG LEU A 436 4.057 -0.419 42.247 1.00 24.74 A C

ATOM 2034 CD1 LEU A 436 2.542 -0.591 42.369 1.00 24.82 A C

ATOM 2038 CD2 LEU A 436 4.713 -0.560 43.621 1.00 23.96 A C

ATOM 2042 C LEU A 436 6.394 -2.492 39.823 1.00 25.91 A C

ATOM 2043 O LEU A 436 6.254 -2.226 38.636 1.00 25.27 A O

ATOM 2044 N SER A 437 6.794 -3.686 40.246 1.00 27.59 A N

ATOM 2046 CA SER A 437 7.027 -4.791 39.319 1.00 28.59 A C

ATOM 2048 CB SER A 437 8.487 -4.803 38.859 1.00 28.61 A C

ATOM 2051 OG SER A 437 8.703 -5.749 37.826 1.00 28.94 A O

ATOM 2053 C SER A 437 6.681 -6.121 39.983 1.00 29.08 A C

ATOM 2054 O SER A 437 6.614 -6.210 41.204 1.00 28.79 A O

ATOM 2055 N ALA A 438 6.473 -7.150 39.168 1.00 30.46 A N

ATOM 2057 CA ALA A 438 6.132 -8.480 39.658 1.00 31.01 A C

ATOM 2059 CB ALA A 438 5.118 -9.132 38.727 1.00 29.98 A C

ATOM 2063 C ALA A 438 7.371 -9.371 39.799 1.00 33.21 A C

ATOM 2064 O ALA A 438 7.270 -10.519 40.233 1.00 32.75 A O

ATOM 2065 N ARG A 439 8.537 -8.841 39.440 1.00 36.37 A N

ATOM 2067 CA ARG A 439 9.779 -9.610 39.494 1.00 39.63 A C

ATOM 2069 CB ARG A 439 10.874 -8.897 38.712 1.00 39.11 A C

ATOM 2072 CG ARG A 439 10.707 -8.987 37.220 1.00 39.30 A C

ATOM 2075 CD ARG A 439 11.715 -8.165 36.458 1.00 39.03 A C

ATOM 2078 NE ARG A 439 13.063 -8.700 36.605 1.00 39.14 A N

ATOM 2080 CZ ARG A 439 14.174 -7.985 36.467 1.00 39.19 A C

ATOM 2081 NH1 ARG A 439 14.112 -6.686 36.182 1.00 39.10 A N

ATOM 2084 NH2 ARG A 439 15.354 -8.571 36.619 1.00 38.52 A N

ATOM 2087 C ARG A 439 10.265 -9.835 40.919 1.00 43.48 A C

ATOM 2088 O ARG A 439 9.879 -9.110 41.837 1.00 43.42 A O

ATOM 2089 N THR A 440 11.128 -10.835 41.090 1.00 48.17 A N

ATOM 2091 CA THR A 440 11.684 -11.169 42.402 1.00 51.87 A C

ATOM 2093 CB THR A 440 12.365 -12.554 42.366 1.00 51.88 A C

ATOM 2095 OG1 THR A 440 11.517 -13.498 41.698 1.00 51.92 A O

ATOM 2097 CG2 THR A 440 12.524 -13.127 43.775 1.00 51.76 A C

ATOM 2101 C THR A 440 12.680 -10.104 42.875 1.00 55.34 A C

ATOM 2102 O THR A 440 12.488 -9.491 43.929 1.00 56.29 A O

ATOM 2103 N THR A 441 13.744 -9.898 42.101 1.00 58.35 A N

ATOM 2105 CA THR A 441 14.736 -8.858 42.392 1.00 60.30 A C

ATOM 2107 CB THR A 441 15.614 -9.253 43.617 1.00 60.81 A C

ATOM 2109 OG1 THR A 441 15.118 -10.454 44.225 1.00 61.25 A O

ATOM 2111 CG2 THR A 441 15.519 -8.202 44.726 1.00 60.97 A C

ATOM 2115 C THR A 441 15.616 -8.622 41.163 1.00 61.16 A C

ATOM 2116 O THR A 441 15.186 -8.859 40.033 1.00 61.41 A O

ATOM 2117 N GLY A 442 16.839 -8.144 41.386 1.00 61.94 A N

ATOM 2119 CA GLY A 442 17.850 -8.108 40.344 1.00 62.21 A C

ATOM 2122 C GLY A 442 18.724 -9.352 40.395 1.00 62.31 A C

ATOM 2123 O GLY A 442 19.950 -9.256 40.307 1.00 62.39 A O

ATOM 2124 N GLY A 443 18.089 -10.517 40.539 1.00 61.88 A N

ATOM 2126 CA GLY A 443 18.791 -11.789 40.633 1.00 61.34 A C

ATOM 2129 C GLY A 443 19.155 -12.346 39.269 1.00 60.66 A C

ATOM 2130 O GLY A 443 18.641 -13.388 38.850 1.00 61.15 A O

ATOM 2131 N GLN A 444 20.061 -11.641 38.593 1.00 59.18 A N

ATOM 2133 CA GLN A 444 20.497 -11.953 37.233 1.00 57.11 A C

ATOM 2135 CB GLN A 444 21.822 -11.218 36.966 1.00 57.37 A C

ATOM 2138 CG GLN A 444 22.542 -11.588 35.679 1.00 57.62 A C

ATOM 2141 CD GLN A 444 24.029 -11.271 35.733 1.00 58.06 A C

ATOM 2142 OE1 GLN A 444 24.718 -11.661 36.681 1.00 58.07 A O

ATOM 2143 NE2 GLN A 444 24.525 -10.564 34.720 1.00 58.26 A N

ATOM 2146 C GLN A 444 20.643 -13.461 36.974 1.00 54.86 A C

ATOM 2147 O GLN A 444 21.437 -14.150 37.638 1.00 55.61 A O

ATOM 2148 N ILE A 445 19.859 -13.964 36.014 1.00 50.68 A N

ATOM 2150 CA ILE A 445 19.944 -15.362 35.584 1.00 46.11 A C

ATOM 2152 CB ILE A 445 18.606 -16.092 35.833 1.00 44.03 A C

ATOM 2154 CG1 ILE A 445 18.570 -16.605 37.281 1.00 41.41 A C

ATOM 2157 CD1 ILE A 445 17.184 -16.633 37.914 1.00 39.27 A C

ATOM 2161 CG2 ILE A 445 18.415 -17.235 34.842 1.00 44.81 A C

ATOM 2165 C ILE A 445 20.374 -15.404 34.114 1.00 43.08 A C

ATOM 2166 O ILE A 445 19.098 -15.845 33.194 0.00 18.22 A O

ATOM 2167 N TYR A 446 21.616 -14.960 33.952 1.00 39.14 A N

ATOM 2169 CA TYR A 446 22.297 -14.777 32.669 1.00 35.94 A C

ATOM 2171 CB TYR A 446 23.526 -15.676 32.599 1.00 35.53 A C

ATOM 2174 CG TYR A 446 24.645 -15.060 31.796 1.00 34.99 A C

ATOM 2175 CD1 TYR A 446 25.504 -14.128 32.368 1.00 35.04 A C

ATOM 2177 CE1 TYR A 446 26.531 -13.559 31.636 1.00 34.73 A C

ATOM 2179 CZ TYR A 446 26.701 -13.912 30.313 1.00 34.16 A C

ATOM 2180 OH TYR A 446 27.720 -13.346 29.582 1.00 33.56 A O

ATOM 2182 CE2 TYR A 446 25.853 -14.827 29.720 1.00 34.08 A C

ATOM 2184 CD2 TYR A 446 24.832 -15.392 30.460 1.00 34.17 A C

ATOM 2186 C TYR A 446 21.498 -14.924 31.371 1.00 33.24 A C

ATOM 2187 O TYR A 446 20.867 -15.954 31.120 1.00 30.84 A O

ATOM 2188 N GLY A 447 21.577 -13.891 30.535 1.00 30.68 A N

ATOM 2190 CA GLY A 447 21.070 -13.950 29.176 1.00 29.27 A C

ATOM 2193 C GLY A 447 19.608 -13.576 29.051 1.00 27.58 A C

ATOM 2194 O GLY A 447 18.977 -13.144 30.011 1.00 26.20 A O

ATOM 2195 N GLY A 448 19.075 -13.750 27.847 1.00 27.09 A N

ATOM 2197 CA GLY A 448 17.680 -13.470 27.574 1.00 26.79 A C

ATOM 2200 C GLY A 448 16.730 -14.208 28.501 1.00 27.08 A C

ATOM 2201 O GLY A 448 16.995 -15.337 28.918 1.00 26.51 A O

ATOM 2202 N GLN A 449 15.623 -13.550 28.831 1.00 26.44 A N

ATOM 2204 CA GLN A 449 14.569 -14.140 29.644 1.00 26.44 A C

ATOM 2206 CB GLN A 449 14.723 -13.723 31.111 1.00 27.74 A C

ATOM 2209 CG GLN A 449 16.064 -14.077 31.733 1.00 29.04 A C

ATOM 2212 CD GLN A 449 16.122 -13.758 33.216 1.00 29.95 A C

ATOM 2213 OE1 GLN A 449 15.360 -14.318 34.006 1.00 30.81 A O

ATOM 2214 NE2 GLN A 449 17.023 -12.857 33.597 1.00 30.48 A N

ATOM 2217 C GLN A 449 13.213 -13.676 29.115 1.00 25.59 A C

ATOM 2218 O GLN A 449 13.115 -12.623 28.493 1.00 22.50 A O

ATOM 2219 N LYS A 450 12.171 -14.466 29.362 1.00 25.06 A N

ATOM 2221 CA LYS A 450 10.824 -14.099 28.944 1.00 23.74 A C

ATOM 2223 CB LYS A 450 10.001 -15.344 28.614 1.00 24.46 A C

ATOM 2230 C LYS A 450 10.143 -13.291 30.040 1.00 22.74 A C

ATOM 2231 O LYS A 450 10.198 -13.645 31.216 1.00 22.18 A O

ATOM 2232 N ALA A 451 9.516 -12.189 29.647 1.00 21.54 A N

ATOM 2234 CA ALA A 451 8.821 -11.337 30.590 1.00 20.94 A C

ATOM 2236 CB ALA A 451 8.573 -9.969 29.979 1.00 20.49 A C

ATOM 2240 C ALA A 451 7.505 -11.978 31.014 1.00 20.61 A C

ATOM 2241 O ALA A 451 6.794 -12.562 30.204 1.00 20.40 A O

ATOM 2242 N LYS A 452 7.200 -11.872 32.300 1.00 21.77 A N

ATOM 2244 CA LYS A 452 5.916 -12.308 32.830 1.00 22.22 A C

ATOM 2246 CB LYS A 452 6.101 -12.946 34.212 1.00 22.29 A C

ATOM 2249 CG LYS A 452 6.919 -14.242 34.201 1.00 22.31 A C

ATOM 2255 C LYS A 452 5.001 -11.088 32.914 1.00 22.09 A C

ATOM 2256 O LYS A 452 5.471 -9.951 32.840 1.00 20.95 A O

ATOM 2257 N PRO A 453 3.696 -11.307 33.042 1.00 22.32 A N

ATOM 2258 CA PRO A 453 2.763 -10.191 33.233 1.00 21.89 A C

ATOM 2260 CB PRO A 453 1.416 -10.890 33.447 1.00 22.49 A C

ATOM 2263 CG PRO A 453 1.572 -12.231 32.799 1.00 22.37 A C

ATOM 2266 CD PRO A 453 3.007 -12.609 32.991 1.00 22.04 A C

ATOM 2269 C PRO A 453 3.142 -9.353 34.455 1.00 21.46 A C

ATOM 2270 O PRO A 453 3.420 -9.907 35.514 1.00 20.90 A O

ATOM 2271 N GLY A 454 3.184 -8.035 34.296 1.00 21.38 A N

ATOM 2273 CA GLY A 454 3.471 -7.140 35.403 1.00 21.28 A C

ATOM 2276 C GLY A 454 4.948 -6.922 35.686 1.00 21.19 A C

ATOM 2277 O GLY A 454 5.292 -6.155 36.578 1.00 19.85 A O

ATOM 2278 N ASP A 455 5.823 -7.596 34.942 1.00 21.79 A N

ATOM 2280 CA ASP A 455 7.264 -7.447 35.132 1.00 20.45 A C

ATOM 2282 CB ASP A 455 8.035 -8.496 34.319 1.00 20.06 A C

ATOM 2285 CG ASP A 455 8.153 -9.829 35.037 1.00 19.99 A C

ATOM 2286 OD1 ASP A 455 7.475 -10.021 36.070 1.00 18.89 A O

ATOM 2287 OD2 ASP A 455 8.910 -10.747 34.644 1.00 19.20 A O

ATOM 2288 C ASP A 455 7 697 -6.045 34.712 1.00 19.47 A C

ATOM 2289 O ASP A 455 8.412 -5.366 35.439 1.00 20.38 A O

ATOM 2290 N PHE A 456 7.238 -5.615 33.542 1.00 20.10 A N

ATOM 2292 CA PHE A 456 7.591 -4.305 32.991 1.00 19.10 A C

ATOM 2294 CB PHE A 456 8.534 -4.479 31.795 1.00 19.65 A C

ATOM 2297 CG PHE A 456 9.755 -5.310 32.102 1.00 19.79 A C

ATOM 2298 CD1 PHE A 456 9.718 -6.688 31.988 1.00 19.40 A C

ATOM 2300 CE1 PHE A 456 10.827 -7.448 32.267 1.00 19.33 A C

ATOM 2302 CZ PHE A 456 11.995 -6.836 32.669 1.00 19.92 A C

ATOM 2304 CE2 PHE A 456 12.047 -5.467 32.782 1.00 19.20 A C

ATOM 2306 CD2 PHE A 456 10.934 -4.711 32.499 1.00 19.69 A C

ATOM 2308 C PHE A 456 6.332 -3.549 32.560 1.00 17.94 A C

ATOM 2309 O PHE A 456 6.103 -3.346 31.371 1.00 18.71 A O

ATOM 2310 N PRO A 457 5.529 -3.121 33.529 1.00 16.96 A N

ATOM 2311 CA PRO A 457 4.245 -2.468 33.252 1.00 17.92 A C

ATOM 2313 CB PRO A 457 3.597 -2.385 34.638 1.00 18.21 A C

ATOM 2316 CG PRO A 457 4.736 -2.367 35.589 1.00 19.03 A C

ATOM 2319 CD PRO A 457 5.790 -3.234 34.974 1.00 18.78 A C

ATOM 2322 C PRO A 457 4.359 -1.073 32.612 1.00 19.06 A C

ATOM 2323 O PRO A 457 3.350 -0.534 32.139 1.00 16.87 A O

ATOM 2324 N TRP A 458 5.570 -0.517 32.592 1.00 18.94 A N

ATOM 2326 CA TRP A 458 5.853 0.763 31.939 1.00 18.70 A C

ATOM 2328 CB TRP A 458 7.050 1.431 32.615 1.00 19.45 A C

ATOM 2331 CG TRP A 458 8.189 0.488 32.873 1.00 18.11 A C

ATOM 2332 CD1 TRP A 458 9.168 0.114 31.985 1.00 18.91 A C

ATOM 2334 NE1 TRP A 458 10.036 -0.770 32.583 1.00 17.49 A N

ATOM 2336 CE2 TRP A 458 9.633 -0.989 33.875 1.00 18.47 A C

ATOM 2337 CD2 TRP A 458 8.468 -0.214 34.090 1.00 17.70 A C

ATOM 2338 CE3 TRP A 458 7.858 -0.266 35.349 1.00 18.58 A C

ATOM 2340 CZ3 TRP A 458 8.418 -1.072 36.334 1.00 18.93 A C

ATOM 2342 CH2 TRP A 458 9.573 -1.830 36.085 1.00 17.19 A C

ATOM 2344 CZ2 TRP A 458 10.194 -1.801 34.870 1.00 16.94 A C

ATOM 2346 C TRP A 458 6.188 0.598 30.462 1.00 20.39 A C

ATOM 2347 O TRP A 458 6.379 1.583 29.755 1.00 20.53 A O

ATOM 2348 N GLN A 459 6.292 -0.645 30.000 1.00 20.76 A N

ATOM 2350 CA GLN A 459 6.712 -0.906 28.632 1.00 19.00 A C

ATOM 2352 CB GLN A 459 6.933 -2.401 28.399 1.00 19.92 A C

ATOM 2355 CG GLN A 459 7.422 -2.759 26.991 1.00 20.14 A C

ATOM 2358 CD GLN A 459 8.839 -2.318 26.723 1.00 20.37 A C

ATOM 2359 OE1 GLN A 459 9.131 -1.757 25.663 1.00 23.74 A O

ATOM 2360 NE2 GLN A 459 9.726 -2.563 27.673 1.00 20.51 A N

ATOM 2363 C GLN A 459 5.692 -0.368 27.645 1.00 18.62 A C

ATOM 2364 O GLN A 459 4.489 -0.611 27.773 1.00 16.82 A O

ATOM 2365 N VAL A 460 6.199 0.355 26.652 1.00 17.58 A N

ATOM 2367 CA VAL A 460 5.374 0.995 25.654 1.00 18.05 A C

ATOM 2369 CB VAL A 460 5.380 2.524 25.841 1.00 18.62 A C

ATOM 2371 CG1 VAL A 460 4.568 3.205 24.759 1.00 19.60 A C

ATOM 2375 CG2 VAL A 460 4.837 2.894 27.212 1.00 18.66 A C

ATOM 2379 C VAL A 460 5.905 0.647 24.273 1.00 19.19 A C

ATOM 2380 O VAL A 460 7.109 0.590 24.063 1.00 19.83 A O

ATOM 2381 N LEU A 461 4.991 0.404 23.341 1.00 20.04 A N

ATOM 2383 CA LEU A 461 5.335 0.127 21.959 1.00 21.32 A C

ATOM 2385 CB LEU A 461 4.685 -1.193 21.531 1.00 22.28 A C

ATOM 2388 CG LEU A 461 4.824 -1.611 20.065 1.00 22.33 A C

ATOM 2390 CD1 LEU A 461 6.279 -1.833 19.701 1.00 23.28 A C

ATOM 2394 CD2 LEU A 461 3.995 -2.861 19.785 1.00 22.23 A C

ATOM 2398 C LEU A 461 4.860 1.280 21.067 1.00 21.10 A C

ATOM 2399 O LEU A 461 3.706 1.690 21.129 1.00 21.55 A O

ATOM 2400 N ILE A 462 5.755 1.802 20.238 1.00 21.94 A N

ATOM 2402 CA ILE A 462 5.451 2.969 19.421 1.00 22.77 A C

ATOM 2404 CB ILE A 462 6.471 4.090 19.696 1.00 22.42 A C

ATOM 2406 CG1 ILE A 462 6.594 4.325 21.206 1.00 22.09 A C

ATOM 2409 CD1 ILE A 462 7.651 5.333 21.594 1.00 23.09 A C

ATOM 2413 CG2 ILE A 462 6.059 5.380 18.990 1.00 20.72 A C

ATOM 2417 C ILE A 462 5.422 2.593 17.942 1.00 25.40 A C

ATOM 2418 O ILE A 462 6.448 2.254 17.349 1.00 26.61 A O

ATOM 2419 N LEU A 463 4.233 2.667 17.356 1.00 27.42 A N

ATOM 2421 CA LEU A 463 4.000 2.222 15.987 1.00 30.24 A C

ATOM 2423 CB LEU A 463 2.931 1.124 15.964 1.00 30.51 A C

ATOM 2426 CG LEU A 463 3.292 -0.228 16.587 1.00 31.49 A C

ATOM 2428 CD1 LEU A 463 2.073 -1.133 16.559 1.00 32.16 A C

ATOM 2432 CD2 LEU A 463 4.474 -0.898 15.879 1.00 31.22 A C

ATOM 2436 C LEU A 463 3.559 3.383 15.111 1.00 32.12 A C

ATOM 2437 O LEU A 463 3.481 4.520 15.564 1.00 32.13 A O

ATOM 2438 N GLY A 464 3.259 3.083 13.852 1.00 36.34 A N

ATOM 2440 CA GLY A 464 2.890 4.100 12.887 1.00 37.73 A C

ATOM 2443 C GLY A 464 4.089 4.407 12.017 1.00 39.66 A C

ATOM 2444 O GLY A 464 4.656 3.503 11.400 1.00 40.65 A O

ATOM 2445 N GLY A 465 4.490 5.675 11.977 1.00 40.79 A N

ATOM 2447 CA GLY A 465 5.638 6.084 11.188 1.00 41.25 A C

ATOM 2450 C GLY A 465 6.929 5.417 11.628 1.00 41.45 A C

ATOM 2451 O GLY A 465 7.789 5.104 10.801 1.00 42.85 A O

ATOM 2452 N THR A 466 7.069 5.198 12.930 1.00 40.77 A N

ATOM 2454 CA THR A 466 8.294 4.615 13.480 1.00 40.96 A C

ATOM 2456 CB THR A 466 8.975 5.604 14.467 1.00 41.34 A C

ATOM 2458 OG1 THR A 466 10.255 5.096 14.876 1.00 42.21 A O

ATOM 2460 CG2 THR A 466 8.184 5.734 15.771 1.00 41.02 A C

ATOM 2464 C THR A 466 8.003 3.287 14.173 1.00 39.51 A C

ATOM 2465 O THR A 466 6.848 2.963 14.454 1.00 41.57 A O

ATOM 2466 N THR A 467 9.053 2.513 14.418 1.00 35.63 A N

ATOM 2468 CA THR A 467 8.943 1.319 15.234 1.00 34.91 A C

ATOM 2470 CB THR A 467 9.111 0.054 14.391 1.00 36.96 A C

ATOM 2472 OG1 THR A 467 8.355 0.171 13.175 1.00 38.68 A O

ATOM 2474 CG2 THR A 467 8.485 -1.142 15.098 1.00 37.33 A C

ATOM 2478 C THR A 467 10.002 1.385 16.326 1.00 33.28 A C

ATOM 2479 O THR A 467 11.198 1.242 16.058 1.00 34.44 A O

ATOM 2480 N ALA A 468 9.549 1.615 17.555 1.00 27.66 A N

ATOM 2482 CA ALA A 468 10.440 1.859 18.668 1.00 25.75 A C

ATOM 2484 CB ALA A 468 10.907 3.307 18.633 1.00 25.77 A C

ATOM 2488 C ALA A 468 9.725 1.546 19.986 1.00 22.63 A C

ATOM 2489 O ALA A 468 8.596 1.080 19.988 1.00 20.15 A O

ATOM 2490 N ALA A 469 10.391 1.795 21.105 1.00 22.05 A N

ATOM 2492 CA ALA A 469 9.809 1.538 22.417 1.00 20.51 A C

ATOM 2494 CB ALA A 469 10.540 0.405 23.082 1.00 21.40 A C

ATOM 2498 C ALA A 469 9.862 2.792 23.287 1.00 20.73 A C

ATOM 2499 O ALA A 469 10.418 3.819 22.890 1.00 19.83 A O

ATOM 2500 N GLY A 470 9.270 2.700 24.475 1.00 20.15 A N

ATOM 2502 CA GLY A 470 9.326 3.771 25.450 1.00 19.61 A C

ATOM 2505 C GLY A 470 8.977 3.279 26.838 1.00 19.76 A C

ATOM 2506 O GLY A 470 8.851 2.079 27.069 1.00 22.43 A O

ATOM 2507 N ALA A 471 8.837 4.215 27.768 1.00 19.03 A N

ATOM 2509 CA ALA A 471 8.410 3.906 29.121 1.00 18.22 A C

ATOM 2511 CB ALA A 471 9.592 3.872 30.052 1.00 18.66 A C

ATOM 2515 C ALA A 471 7.413 4.948 29.589 1.00 18.37 A C

ATOM 2516 O ALA A 471 7.630 6.136 29.422 1.00 19.33 A O

ATOM 2517 N LEU A 472 6.330 4.491 30.197 1.00 19.83 A N

ATOM 2519 CA LEU A 472 5.313 5.375 30.728 1.00 19.44 A C

ATOM 2521 CB LEU A 472 4.061 4.570 31.090 1.00 19.78 A C

ATOM 2524 CG LEU A 472 2.842 5.347 31.609 1.00 20.47 A C

ATOM 2526 CD1 LEU A 472 2.138 6.107 30.486 1.00 19.69 A C

ATOM 2530 CD2 LEU A 472 1.877 4.398 32.295 1.00 20.70 A C

ATOM 2534 C LEU A 472 5.833 6.123 31.950 1.00 19.81 A C

ATOM 2535 O LEU A 472 6.470 5.544 32.838 1.00 19.78 A O

ATOM 2536 N LEU A 473 5.569 7.424 31.960 1.00 18.58 A N

ATOM 2538 CA LEU A 473 5.795 8.285 33.102 1.00 16.02 A C

ATOM 2540 CB LEU A 473 6.697 9.447 32.705 1.00 16.50 A C

ATOM 2543 CG LEU A 473 8.123 9.143 32.277 1.00 15.92 A C

ATOM 2545 CD1 LEU A 473 8.842 10.451 31.950 1.00 16.28 A C

ATOM 2549 CD2 LEU A 473 8.862 8.373 33.371 1.00 17.07 A C

ATOM 2553 C LEU A 473 4.444 8.835 33.525 1.00 16.40 A C

ATOM 2554 O LEU A 473 3.686 9.315 32.681 1.00 15.77 A O

ATOM 2555 N TYR A 474 4.144 8.779 34.821 1.00 16.65 A N

ATOM 2557 CA TYR A 474 2.821 9.150 35.324 1.00 17.43 A C

ATOM 2559 CB TYR A 474 2.585 10.667 35.199 1.00 19.65 A C

ATOM 2562 CG TYR A 474 3.676 11.487 35.859 1.00 21.05 A C

ATOM 2563 CD1 TYR A 474 4.811 11.858 35.155 1.00 22.68 A C

ATOM 2565 CE1 TYR A 474 5.818 12.596 35.751 1.00 23.45 A C

ATOM 2567 CZ TYR A 474 5.710 12.964 37.073 1.00 23.38 A C

ATOM 2568 OH TYR A 474 6.723 13.689 37.649 1.00 23.42 A O

ATOM 2570 CE2 TYR A 474 4.596 12.606 37.805 1.00 23.61 A C

ATOM 2572 CD2 TYR A 474 3.584 11.863 37.195 1.00 22.27 A C

ATOM 2574 C TYR A 474 1.791 8.333 34.553 1.00 18.06 A C

ATOM 2575 O TYR A 474 2.010 7.149 34.321 1.00 18.65 A O

ATOM 2576 N ASP A 475 0.679 8.936 34.146 1.00 19.52 A N

ATOM 2578 CA ASP A 475 -0.316 8.191 33.372 1.00 18.90 A C

ATOM 2580 CB ASP A 475 -1.607 7.956 34.175 1.00 18.51 A C

ATOM 2583 CG ASP A 475 -2.184 9.229 34.793 1.00 19.24 A C

ATOM 2584 OD1 ASP A 475 -1.607 10.327 34.623 1.00 18.91 A O

ATOM 2585 OD2 ASP A 475 -3.241 9.204 35.466 1.00 16.46 A O

ATOM 2586 C ASP A 475 -0.609 8.823 32.013 1.00 19.07 A C

ATOM 2587 O ASP A 475 -1.526 8.403 31.304 1.00 20.00 A O

ATOM 2588 N ASN A 476 0.196 9.807 31.630 1.00 17.16 A N

ATOM 2590 CA ASN A 476 -0.035 10.506 30.373 1.00 16.23 A C

ATOM 2592 CB ASN A 476 -1.027 11.668 30.579 1.00 15.58 A C

ATOM 2595 CG ASN A 476 -0.535 12.707 31.572 1.00 13.73 A C

ATOM 2596 OD1 ASN A 476 0.389 12.466 32.342 1.00 14.66 A O

ATOM 2597 ND2 ASN A 476 -1.161 13.874 31.556 1.00 11.92 A N

ATOM 2600 C ASN A 476 1.233 10.981 29.663 1.00 16.23 A C

ATOM 2601 O ASN A 476 1.155 11.843 28.795 1.00 15.27 A O

ATOM 2602 N TRP A 477 2.388 10.406 30.010 1 00 15.89 A N

ATOM 2604 CA TRP A 477 3.651 10.724 29.330 1.00 16.28 A C

ATOM 2606 CB TRP A 477 4.555 11.610 30.199 1.00 16.54 A C

ATOM 2609 CG TRP A 477 4.066 13.016 30.324 1.00 16.16 A C

ATOM 2610 CD1 TRP A 477 3.234 13.508 31.283 1.00 15.22 A C

ATOM 2612 NE1 TRP A 477 2.999 14.845 31.066 1.00 16.34 A N

ATOM 2614 CE2 TRP A 477 3.686 15.243 29.950 1.00 16.41 A C

ATOM 2615 CD2 TRP A 477 4.372 14.117 29.457 1.00 15.95 A C

ATOM 2616 CE3 TRP A 477 5.159 14.266 28.310 1.00 16.53 A C

ATOM 2618 CZ3 TRP A 477 5.232 15.511 27.704 1.00 16.15 A C

ATOM 2620 CH2 TRP A 477 4.536 16.607 28.220 1.00 17.22 A C

ATOM 2622 CZ2 TRP A 477 3.763 16.496 29.341 1.00 17.30 A C

ATOM 2624 C TRP A 477 4.405 9.456 28.972 1.00 17 45 A C

ATOM 2625 O TRP A 477 4.268 8.436 29.643 1.00 16.56 A O

ATOM 2626 N VAL A 478 5.203 9.531 27.908 1.00 18.19 A N

ATOM 2628 CA VAL A 478 6.038 8.418 27.475 1.00 17.96 A C

ATOM 2630 CB VAL A 478 5.496 7.741 26.194 1.00 18.03 A C

ATOM 2632 CG1 VAL A 478 6.537 6.782 25.614 1.00 18.37 A C

ATOM 2636 CG2 VAL A 478 4.200 6.991 26.482 1.00 18.26 A C

ATOM 2640 C VAL A 478 7.437 8.935 27.195 1.00 18.68 A C

ATOM 2641 O VAL A 478 7.618 9.877 26.419 1.00 19.58 A O

ATOM 2642 N LEU A 479 8.417 8.313 27.836 1.00 18.36 A N

ATOM 2644 CA LEU A 479 9.819 8.676 27.680 1.00 19.31 A C

ATOM 2646 CB LEU A 479 10.547 8.477 29.005 1.00 20.05 A C

ATOM 2649 CG LEU A 479 12.019 8.876 29.104 1.00 21.07 A C

ATOM 2651 CD1 LEU A 479 12.173 10.382 29.159 1.00 21.70 A C

ATOM 2655 CD2 LEU A 479 12.640 8.236 30.334 1.00 21.16 A C

ATOM 2659 C LEU A 479 10.427 7.780 26.624 1.00 19.02 A C

ATOM 2660 O LEU A 479 10.251 6.563 26.663 1.00 16.33 A O

ATOM 2661 N THR A 480 11.132 8.372 25.667 1.00 19.97 A N

ATOM 2663 CA THR A 480 11.744 7.589 24.610 1.00 19.05 A C

ATOM 2665 CB THR A 480 10.720 7.377 23.461 1.00 19.43 A C

ATOM 2667 OG1 THR A 480 11.212 6.418 22.516 1.00 18.98 A O

ATOM 2669 CG2 THR A 480 10.529 8.639 22.642 1.00 20.67 A C

ATOM 2673 C THR A 480 13.036 8.249 24.123 1.00 18.91 A C

ATOM 2674 O THR A 480 13.532 9.175 24.749 1.00 17.56 A O

ATOM 2675 N ALA A 481 13.597 7.742 23.029 1.00 19.30 A N

ATOM 2677 CA ALA A 481 14.785 8.338 22.438 1.00 19.27 A C

ATOM 2679 CB ALA A 481 15.686 7.264 21.848 1.00 19.27 A C

ATOM 2683 C ALA A 481 14.357 9.316 21.360 1.00 18.66 A C

ATOM 2684 O ALA A 481 13.399 9.076 20.633 1.00 19.59 A O

ATOM 2685 N ALA A 482 15.069 10.429 21.267 1.00 18.31 A N

ATOM 2687 CA ALA A 482 14.831 11.401 20.214 1.00 17.67 A C

ATOM 2689 CB ALA A 482 15.738 12.605 20.407 1.00 18.10 A C

ATOM 2693 C ALA A 482 15.023 10.807 18.818 1.00 17.71 A C

ATOM 2694 O ALA A 482 14.301 11.174 17.897 1.00 17.72 A O

ATOM 2695 N HIS A 483 15.983 9.897 18.649 1.00 17.97 A N

ATOM 2697 CA HIS A 483 16.238 9.323 17.324 1.00 18.94 A C

ATOM 2699 CB HIS A 483 17.579 8.565 17.286 1.00 19.17 A C

ATOM 2702 CG HIS A 483 17.495 7.155 17.776 1.00 19.86 A C

ATOM 2703 ND1 HIS A 483 17.675 6.818 19.101 1.00 20.81 A N

ATOM 2705 CE1 HIS A 483 17.528 5.513 19.243 1.00 20.71 A C

ATOM 2707 NE2 HIS A 483 17.266 4.990 18.058 1.00 19.35 A N

ATOM 2709 CD2 HIS A 483 17.245 5.995 17.122 1.00 19.37 A C

ATOM 2711 C HIS A 483 15.078 8.428 16.872 1.00 19.08 A C

ATOM 2712 O HIS A 483 14.888 8.199 15.686 1.00 19.58 A O

ATOM 2713 N ALA A 484 14.292 7.947 17 827 1.00 20.17 A N

ATOM 2715 CA ALA A 484 13.175 7.049 17.539 1.00 20.26 A C

ATOM 2717 CB ALA A 484 12.768 6.321 18.814 1.00 20.46 A C

ATOM 2721 C ALA A 484 11.954 7.760 16.948 1.00 21.43 A C

ATOM 2722 O ALA A 484 11.187 7.156 16.193 1.00 21.49 A O

ATOM 2723 N VAL A 485 11.760 9.027 17.313 1.00 21.15 A N

ATOM 2725 CA VAL A 485 10.559 9.761 16.921 1.00 21.30 A C

ATOM 2727 CB VAL A 485 9.606 9.975 18.123 1.00 21.89 A C

ATOM 2729 CG1 VAL A 485 9.067 8.645 18.632 1.00 22.52 A C

ATOM 2733 CG2 VAL A 485 10.297 10.741 19.252 1.00 21.95 A C

ATOM 2737 C VAL A 485 10.850 11.125 16.289 1.00 22.29 A C

ATOM 2738 O VAL A 485 9.927 11.918 16.075 1.00 20.89 A O

ATOM 2739 N TYR A 486 12.114 11.389 15.971 1.00 23.39 A N

ATOM 2741 CA TYR A 486 12.508 12.684 15.418 1.00 25.35 A C

ATOM 2743 CB TYR A 486 14.014 12.732 15.140 1.00 25.05 A C

ATOM 2746 CG TYR A 486 14.498 14.073 14.617 1.00 25.46 A C

ATOM 2747 CD1 TYR A 486 14.896 15.078 15.488 1.00 25.65 A C

ATOM 2749 CE1 TYR A 486 15.343 16.299 15.014 1.00 26.35 A C

ATOM 2751 CZ TYR A 486 15.390 16.528 13.655 1.00 26.41 A C

ATOM 2752 OH TYR A 486 15.834 17.738 13.178 1.00 28.03 A O

ATOM 2754 CE2 TYR A 486 15.002 15.545 12.770 1.00 26.20 A C

ATOM 2756 CD2 TYR A 486 14.559 14.328 13.252 1.00 25.72 A C

ATOM 2758 C TYR A 486 11.754 12.997 14.137 1.00 26.44 A C

ATOM 2759 O TYR A 486 11.351 14.131 13.915 1.00 24.78 A O

ATOM 2760 N GLU A 487 11.560 11.984 13.301 1.00 30.74 A N

ATOM 2762 CA GLU A 487 10.967 12.189 11.983 1.00 34.09 A C

ATOM 2764 CB GLU A 487 11.234 10.978 11.080 1.00 35.76 A C

ATOM 2767 CG GLU A 487 12.661 10.450 11.184 1.00 37.95 A C

ATOM 2770 CD GLU A 487 13.309 10.196 9.835 1.00 39.42 A C

ATOM 2771 OE1 GLU A 487 13.080 9.108 9.261 1.00 40.11 A O

ATOM 2772 OE2 GLU A 487 14.054 11.081 9.352 1.00 40.37 A O

ATOM 2773 C GLU A 487 9.470 12.489 12.081 1.00 35.19 A C

ATOM 2774 O GLU A 487 8.894 13.104 11.185 1.00 35.38 A O

ATOM 2775 N GLN A 488 8.851 12.060 13.178 1.00 38.04 A N

ATOM 2777 CA GLN A 488 7.453 12.378 13.462 1.00 39.56 A C

ATOM 2779 CB GLN A 488 6.702 11.128 13.932 1.00 40.06 A C

ATOM 2782 CG GLN A 488 6.648 10.017 12.892 1.00 40.21 A C

ATOM 2785 CD GLN A 488 7.852 9.094 12.955 1.00 40.61 A C

ATOM 2786 OE1 GLN A 488 8.588 9.087 13.944 1.00 40.18 A O

ATOM 2787 NE2 GLN A 488 8.052 8.312 11.902 1.00 40.40 A N

ATOM 2790 C GLN A 488 7.356 13.483 14.514 1.00 40.43 A C

ATOM 2791 O GLN A 488 6.483 13.461 15.383 1.00 43.49 A O

ATOM 2792 N LYS A 489 8.262 14.449 14.426 1.00 40.90 A N

ATOM 2794 CA LYS A 489 8.265 15.604 15.315 1.00 40.88 A C

ATOM 2796 CB LYS A 489 9.633 16.293 15.262 1.00 40.19 A C

ATOM 2799 CG LYS A 489 9.663 17.713 15.805 1.00 40.03 A C

ATOM 2802 CD LYS A 489 11.067 18.301 15.764 1.00 39.53 A C

ATOM 2805 CE LYS A 489 11.774 18.003 14.449 1.00 39.24 A C

ATOM 2808 NZ LYS A 489 12.902 18.937 14.194 1.00 38.93 A N

ATOM 2812 C LYS A 489 7.154 16.582 14.922 1.00 41.04 A C

ATOM 2813 O LYS A 489 6.543 17.211 15.782 1.00 41.22 A O

ATOM 2814 N HIS A 490 6.894 16.695 13.621 1.00 41.84 A N

ATOM 2816 CA HIS A 490 5.844 17.577 13.111 1.00 42.70 A C

ATOM 2818 CB HIS A 490 6.355 18.367 11.903 1.00 43.11 A C

ATOM 2821 CG HIS A 490 7.547 19.223 12.201 1.00 44.05 A C

ATOM 2822 ND1 HIS A 490 8.558 19.433 11.289 1.00 44.55 A N

ATOM 2824 CE1 HIS A 490 9.471 20.227 11.821 1.00 44.92 A C

ATOM 2826 NE2 HIS A 490 9.089 20.536 13.047 1.00 45.07 A N

ATOM 2828 CD2 HIS A 490 7.889 19.921 13.310 1.00 44.67 A C

ATOM 2830 C HIS A 490 4.604 16.784 12.709 1.00 42.63 A C

ATOM 2831 O HIS A 490 3.920 17.128 11.745 1.00 43.96 A O

ATOM 2832 N ASP A 491 4.319 15.721 13.450 1.00 42.72 A N

ATOM 2834 CA ASP A 491 3.183 14.858 13.155 1.00 42.82 A C

ATOM 2836 CB ASP A 491 3.399 14.118 11.828 1.00 43.01 A C

ATOM 2839 CG ASP A 491 2.123 13.496 11.289 1.00 43.57 A C

ATOM 2840 OD1 ASP A 491 1.082 13.556 11.980 1.00 43.16 A O

ATOM 2841 OD2 ASP A 491 2.070 12.926 10.178 1.00 44.34 A O

ATOM 2842 C ASP A 491 3.000 13.864 14.299 1.00 42.74 A C

ATOM 2843 O ASP A 491 3.309 12.678 14.169 1.00 42.62 A O

ATOM 2844 N ALA A 492 2.498 14.360 15.424 1.00 42.89 A N

ATOM 2846 CA ALA A 492 2.334 13.538 16.616 1.00 42.55 A C

ATOM 2848 CB ALA A 492 2.089 14.422 17.833 1.00 42.46 A C

ATOM 2852 C ALA A 492 1.201 12.522 16.457 1.00 42.76 A C

ATOM 2853 O ALA A 492 1.230 11.455 17.072 1.00 43.24 A O

ATOM 2854 N SER A 493 0.207 12.848 15.635 1.00 42.04 A N

ATOM 2856 CA SER A 493 -0.950 11.973 15.457 1.00 41.86 A C

ATOM 2858 CB SER A 493 -1.997 12.644 14.559 1.00 41.59 A C

ATOM 2861 OG SER A 493 -1.486 12.889 13.261 1.00 41.75 A O

ATOM 2863 C SER A 493 -0.562 10.602 14.892 1.00 41.90 A C

ATOM 2864 O SER A 493 -1.151 9.587 15.260 1.00 42.88 A O

ATOM 2865 N ALA A 494 0.445 10.574 14.022 1.00 41.73 A N

ATOM 2867 CA ALA A 494 0.896 9.329 13.390 1.00 41.53 A C

ATOM 2869 CB ALA A 494 1.786 9.645 12.188 1.00 41.69 A C

ATOM 2873 C ALA A 494 1.626 8.366 14.341 1.00 40.70 A C

ATOM 2874 O ALA A 494 2.106 7.316 13.909 1.00 41.01 A O

ATOM 2875 N LEU A 495 1.720 8.716 15.624 1.00 39.24 A N

ATOM 2877 CA LEU A 495 2.301 7.813 16.616 1.00 36.67 A C

ATOM 2879 CB LEU A 495 3 097 8 587 17.666 1.00 36.12 A C

ATOM 2882 CG LEU A 495 4.361 9 292 17.168 1.00 34.80 A C

ATOM 2884 CD1 LEU A 495 5.005 10.038 18.312 1.00 35.03 A C

ATOM 2888 CD2 LEU A 495 5.345 8.315 16.537 1.00 34.16 A C

ATOM 2892 C LEU A 495 1.218 6.982 17.291 1.00 35.78 A C

ATOM 2893 O LEU A 495 0.468 7.473 18.136 1.00 37.24 A O

ATOM 2894 N ASP A 496 1.139 5.721 16.882 1.00 33.75 A N

ATOM 2896 CA ASP A 496 0.240 4.746 17.473 1.00 30.06 A C

ATOM 2898 CB ASP A 496 -0.054 3.644 16.455 1.00 29.83 A C

ATOM 2901 CG ASP A 496 -0.983 2.574 16.992 1.00 29.82 A C

ATOM 2902 OD1 ASP A 496 -1.098 2.438 18.225 1.00 29.20 A O

ATOM 2903 OD2 ASP A 496 -1.639 1.817 16.243 1.00 30.28 A O

ATOM 2904 C ASP A 496 0.917 4.169 18.706 1.00 27.65 A C

ATOM 2905 O ASP A 496 1.898 3.437 18.604 1.00 24.55 A O

ATOM 2906 N ILE A 497 0.386 4.497 19.875 1.00 25.69 A N

ATOM 2908 CA ILE A 497 1.023 4.123 21.128 1.00 23.32 A C

ATOM 2910 CB ILE A 497 1.199 5.366 22.003 1.00 23.56 A C

ATOM 2912 CG1 ILE A 497 2.206 6.303 21.333 1.00 24.52 A C

ATOM 2915 CD1 ILE A 497 2.264 7.683 21.944 1.00 26.04 A C

ATOM 2919 CG2 ILE A 497 1.656 4.988 23.416 1.00 22.78 A C

ATOM 2923 C ILE A 497 0.199 3.051 21.824 1.00 22.52 A C

ATOM 2924 O ILE A 497 -1.017 3.176 21.948 1.00 21.15 A O

ATOM 2925 N ARG A 498 0.878 1.989 22.250 1.00 20.31 A N

ATOM 2927 CA ARG A 498 0.233 0.813 22.813 1.00 20.38 A C

ATOM 2929 CB ARG A 498 0.196 -0.315 21.784 1.00 20.46 A C

ATOM 2932 CG ARG A 498 -0.312 0.085 20.418 1.00 20.83 A C

ATOM 2935 CD ARG A 498 -0.256 -1.048 19.420 1.00 21.01 A C

ATOM 2938 NE ARG A 498 -0.984 -0.739 18.200 1.00 22.93 A N

ATOM 2940 CZ ARG A 498 -1.334 -1.644 17.289 1.00 25.09 A C

ATOM 2941 NH1 ARG A 498 -1.022 -2.924 17.455 1.00 26.11 A N

ATOM 2944 NH2 ARG A 498 -1.996 -1.266 16.202 1.00 25.37 A N

ATOM 2947 C ARG A 498 0.981 0.310 24.041 1.00 19.03 A C

ATOM 2948 O ARG A 498 2.202 0.400 24.117 1.00 17.87 A O

ATOM 2949 N MET A 499 0.239 -0.242 24.990 1.00 19.57 A N

ATOM 2951 CA MET A 499 0.833 -0.763 26.205 1.00 20.20 A C

ATOM 2953 CB MET A 499 1.173 0.382 27.167 1.00 22.62 A C

ATOM 2956 CG MET A 499 -0.005 1.231 27.613 1.00 24.98 A C

ATOM 2959 SD MET A 499 0.540 2.811 28.342 1.00 27.17 A S

ATOM 2960 CE MET A 499 0.500 3.865 26.890 1.00 26.02 A C

ATOM 2964 C MET A 499 -0.082 -1.795 26.858 1.00 19.52 A C

ATOM 2965 O MET A 499 -1.140 -2.137 26.319 1.00 14.93 A O

ATOM 2966 N GLY A 500 0.356 -2.319 27.999 1.00 18.47 A N

ATOM 2968 CA GLY A 500 -0.423 -3.286 28.752 1.00 19.34 A C

ATOM 2971 C GLY A 500 -0.348 -4.706 28.227 1.00 21.70 A C

ATOM 2972 O GLY A 500 -1.071 -5.573 28.705 1.00 21.93 A O

ATOM 2973 N THR A 501 0.517 -4.961 27.248 1.00 25.40 A N

ATOM 2975 CA THR A 501 0.571 -6.282 26.627 1.00 26.78 A C

ATOM 2977 CB THR A 501 -0.162 -6.262 25.263 1.00 29.52 A C

ATOM 2979 OG1 THR A 501 -0.456 -7.602 24.846 1.00 31.84 A O

ATOM 2981 CG2 THR A 501 0.720 -5.715 24.153 1.00 31.11 A C

ATOM 2985 C THR A 501 1.995 -6.825 26.480 1.00 25.95 A C

ATOM 2986 O THR A 501 2.932 -6.081 26.176 1.00 26.05 A O

ATOM 2987 N LEU A 502 2.142 -8.129 26.716 1.00 24.96 A N

ATOM 2989 CA LEU A 502 3.424 -8.815 26.592 1.00 25.16 A C

ATOM 2991 CB LEU A 502 3.412 -10.126 27.384 1.00 26.20 A C

ATOM 2994 CG LEU A 502 3.520 -10.065 28.910 1.00 27.02 A C

ATOM 2996 CD1 LEU A 502 3.461 -11.474 29.497 1.00 26.76 A C

ATOM 3000 CD2 LEU A 502 4.792 -9.356 29.339 1.00 27.58 A C

ATOM 3004 C LEU A 502 3.729 -9.148 25.139 1.00 25.16 A C

ATOM 3005 O LEU A 502 4.877 -9.396 24.777 1.00 23.47 A O

ATOM 3006 N LYS A 503 2.688 -9.177 24.317 1.00 26.11 A N

ATOM 3008 CA LYS A 503 2.808 -9.628 22.943 1.00 26.26 A C

ATOM 3010 CB LYS A 503 1.815 -10.756 22.697 1.00 27.90 A C

ATOM 3013 CG LYS A 503 2.034 -11.953 23.606 1.00 28.32 A C

ATOM 3016 CD LYS A 503 0.729 -12.592 24.006 1.00 28.49 A C

ATOM 3021 C LYS A 503 2.569 -8.482 21.968 1.00 26.46 A C

ATOM 3022 O LYS A 503 1.467 -7.941 21.894 1.00 28.26 A O

ATOM 3023 N ARG A 504 3.601 -8.126 21.211 1.00 25.11 A N

ATOM 3025 CA ARG A 504 3.531 -6.972 20.319 1.00 26.19 A C

ATOM 3027 CB ARG A 504 4.906 -6.686 19.692 1.00 25.17 A C

ATOM 3030 CG ARG A 504 5.431 -7.786 18.801 1.00 24.26 A C

ATOM 3033 CD ARG A 504 6.760 -7.461 18.125 1.00 24.15 A C

ATOM 3036 NE ARG A 504 7.033 -8.398 17.037 1.00 23.22 A N

ATOM 3038 CZ ARG A 504 6.482 -8.326 15.831 1.00 25.40 A C

ATOM 3039 NH1 ARG A 504 5.634 -7.347 15.537 1.00 26.65 A N

ATOM 3042 NH2 ARG A 504 6.782 -9.231 14.908 1.00 24.64 A N

ATOM 3045 C ARG A 504 2.460 -7.098 19.226 1.00 27.66 A C

ATOM 3046 O ARG A 504 2.024 -6.088 18.670 1.00 27.59 A O

ATOM 3047 N LEU A 505 2.035 -8.326 18.928 1.00 28.59 A N

ATOM 3049 CA LEU A 505 1.034 -8.560 17.887 1.00 29.90 A C

ATOM 3051 CB LEU A 505 1.447 -9.754 17.024 1.00 31.21 A C

ATOM 3054 CG LEU A 505 2.646 -9.553 16.097 1.00 32.62 A C

ATOM 3056 CD1 LEU A 505 3.022 -10.880 15.439 1.00 32.97 A C

ATOM 3060 CD2 LEU A 505 2.358 -8.477 15.044 1.00 33.21 A C

ATOM 3064 C LEU A 505 -0.375 -8.809 18.434 1.00 29.97 A C

ATOM 3065 O LEU A 505 -1.310 -9.034 17.669 1.00 30.48 A O

ATOM 3066 N SER A 506 -0.531 -8.773 19.751 1.00 30.27 A N

ATOM 3068 CA SER A 506 -1.821 -9.063 20.358 1.00 30.67 A C

ATOM 3070 CB SER A 506 -1.684 -9.219 21.873 1.00 32.02 A C

ATOM 3073 OG SER A 506 -2.792 -9.921 22.419 1.00 32.73 A O

ATOM 3075 C SER A 506 -2.842 -7.972 20.041 1.00 30.02 A C

ATOM 3076 O SER A 506 -2.517 -6.784 20.038 1.00 28.15 A O

ATOM 3077 N PRO A 507 -4.075 -8.385 19.760 1.00 29.03 A N

ATOM 3078 CA PRO A 507 -5.190 -7.443 19.626 1.00 28.60 A C

ATOM 3080 CB PRO A 507 -6.289 -8.292 18.986 1.00 28.65 A C

ATOM 3083 CG PRO A 507 -5.978 -9.698 19.385 1.00 28.39 A C

ATOM 3086 CD PRO A 507 -4.491 -9.780 19.531 1.00 28.33 A C

ATOM 3089 C PRO A 507 -5.643 -6.907 20.981 1.00 29.03 A C

ATOM 3090 O PRO A 507 -6.446 -5.975 21.037 1.00 28.39 A O

ATOM 3091 N HIS A 508 -5.123 -7.491 22.058 1.00 30.04 A N

ATOM 3093 CA HIS A 508 -5.464 -7.071 23.412 1.00 30.40 A C

ATOM 3095 CB HIS A 508 -5.640 -8.292 24.320 1.00 31.27 A C

ATOM 3098 CG HIS A 508 -6.716 -9.230 23.869 1.00 32.57 A C

ATOM 3099 ND1 HIS A 508 -6.474 -10.557 23.585 1.00 32.92 A N

ATOM 3101 CE1 HIS A 508 -7.601 -11.137 23.213 1.00 33.17 A C

ATOM 3103 NE2 HIS A 508 -8.565 -10.234 23.244 1.00 33.19 A N

ATOM 3105 CD2 HIS A 508 -8.038 -9.033 23.653 1.00 32.94 A C

AT0M 3107 C HIS A 508 -4.385 -6.160 23.983 1.00 29.95 A C

ATOM 3108 O HIS A 508 -3.467 -6.616 24.670 1.00 32.14 A O

ATOM 3109 N TYR A 509 -4.497 -4.873 23.684 1.00 28.10 A N

ATOM 3111 CA TYR A 509 -3.579 -3.868 24.216 1.00 26.05 A C

ATOM 3113 CB TYR A 509 -2.514 -3.493 23.176 1.00 24.90 A C

ATOM 3116 CG TYR A 509 -3.091 -2.898 21.905 1.00 24.12 A C

ATOM 3117 CD1 TYR A 509 -3.262 -1.529 21.773 1.00 22.53 A C

ATOM 3119 CE1 TYR A 509 -3.793 -0.983 20.624 1.00 23.47 A C

ATOM 3121 CZ TYR A 509 -4.169 -1.809 19.574 1.00 24.39 A C

ATOM 3122 OH TYR A 509 -4.705 -1.260 18.430 1.00 23.97 A O

ATOM 3124 CE2 TYR A 509 -4.014 -3.177 19.677 1.00 24.37 A C

ATOM 3126 CD2 TYR A 509 -3.473 -3.713 20.843 1.00 25.06 A C

ATOM 3128 C TYR A 509 -4.372 -2.633 24.603 1.00 23.89 A C

ATOM 3129 O TYR A 509 -5.544 -2.499 24.254 1.00 22.71 A O

ATOM 3130 N THR A 510 -3.718 -1.728 25.315 1.00 22.98 A N

ATOM 3132 CA THR A 510 -4.306 -0.450 25.666 1.00 23.38 A C

ATOM 3134 CB THR A 510 -3.991 -0.124 27.129 1.00 24.06 A C

ATOM 3136 OG1 THR A 510 -4.690 -1.039 27.982 1.00 24.34 A O

ATOM 3138 CG2 THR A 510 -4.530 1.242 27.523 1.00 25.04 A C

ATOM 3142 C THR A 510 -3.779 0.634 24.727 1.00 23.45 A C

ATOM 3143 O THR A 510 -2.565 0.838 24.599 1.00 21.96 A O

ATOM 3144 N GLN A 511 -4.709 1.322 24.072 1.00 24.39 A N

ATOM 3146 CA GLN A 511 -4.394 2.300 23.035 1.00 24.98 A C

ATOM 3148 CB GLN A 511 -5.462 2.254 21.941 1.00 25.98 A C

ATOM 3151 CG GLN A 511 -5.268 3.245 20.798 1.00 26.67 A C

ATOM 3154 CD GLN A 511 -4.355 2.720 19.709 1.00 26.89 A C

ATOM 3155 OE1 GLN A 511 -4.685 1.748 19.023 1.00 26.94 A O

ATOM 3156 NE2 GLN A 511 -3.210 3.368 19.537 1.00 26.51 A N

ATOM 3159 C GLN A 511 -4.295 3.712 23.602 1.00 25.00 A C

ATOM 3160 O GLN A 511 -5.037 4.090 24.515 1.00 25.16 A O

ATOM 3161 N ALA A 512 -3.364 4.478 23.041 1.00 24.45 A N

ATOM 3163 CA ALA A 512 -3.151 5.870 23.410 1.00 24.11 A C

ATOM 3165 CB ALA A 512 -2.139 5.971 24.530 1.00 24.00 A C

ATOM 3169 C ALA A 512 -2.669 6.634 22.187 1.00 25.25 A C

ATOM 3170 O ALA A 512 -2.187 6.042 21.221 1.00 25.94 A O

ATOM 3171 N TRP A 513 -2.813 7.951 22.221 1.00 26.87 A N

ATOM 3173 CA TRP A 513 -2.434 8.790 21.095 1.00 28.03 A C

ATOM 3175 CB TRP A 513 -3.673 9.313 20.373 1.00 28.76 A C

ATOM 3178 CG TRP A 513 -4.436 8.238 19.696 1.00 29.69 A C

ATOM 3179 CD1 TRP A 513 -5.626 7.712 20.089 1.00 30.10 A C

ATOM 3181 NE1 TRP A 513 -6.016 6.726 19.215 1.00 31.22 A N

ATOM 3183 CE2 TRP A 513 -5.068 6.597 18.234 1.00 31.08 A C

ATOM 3184 CD2 TRP A 513 -4.055 7.535 18.509 1.00 30.32 A C

ATOM 3185 CE3 TRP A 513 -2.954 7.603 17.644 1.00 30.37 A C

ATOM 3187 CZ3 TRP A 513 -2.903 6.754 16.561 1.00 30.21 A C

ATOM 3189 CH2 TRP A 513 -3.929 5.832 16.315 1.00 31.52 A C

ATOM 3191 CZ2 TRP A 513 -5.020 5.740 17.135 1.00 31.27 A C

ATOM 3193 C TRP A 513 -1.613 9.955 21.580 1.00 28.44 A C

ATOM 3194 O TRP A 513 -1.857 10.484 22.657 1.00 28.03 A O

ATOM 3195 N SER A 514 -0.638 10.358 20.778 1.00 30.31 A N

ATOM 3197 CA SER A 514 0.206 11.475 21.150 1.00 31.01 A C

ATOM 3199 CB SER A 514 1.547 11.424 20.425 1.00 31.30 A C

ATOM 3202 OG SER A 514 1.372 11.176 19.048 1.00 32.51 A O

ATOM 3204 C SER A 514 -0.505 12.775 20.844 1.00 31.15 A C

ATOM 3205 O SER A 514 -1.142 12.926 19.802 1.00 29.67 A O

ATOM 3206 N GLU A 515 -0.393 13.701 21.787 1.00 31.86 A N

ATOM 3208 CA GLU A 515 -0.860 15.063 21.630 1.00 32.76 A C

ATOM 3210 CB GLU A 515 -1.258 15.605 23.003 1.00 34.70 A C

ATOM 3213 CG GLU A 515 -2.120 16.850 22.978 1.00 36.90 A C

ATOM 3216 CD GLU A 515 -2.911 17.017 24.259 1.00 38.56 A C

ATOM 3217 OE1 GLU A 515 -2.310 17.419 25.278 1.00 39.39 A O

ATOM 3218 OE2 GLU A 515 -4.132 16.742 24.247 1.00 40.34 A O

ATOM 3219 C GLU A 515 0.281 15.893 21.048 1.00 30 84 A O

ATOM 3220 O GLU A 515 0.118 16.593 20.048 1.00 29.84 A O

ATOM 3221 N ALA A 516 1.442 15.790 21.689 1.00 29.11 A N

ATOM 3223 CA ALA A 516 2.624 16.545 21.305 1.00 27.81 A O

ATOM 3225 CB ALA A 516 2.667 17.858 22.070 1.00 28.54 A C

ATOM 3229 C ALA A 516 3.904 15.745 21.557 1.00 25.98 A C

ATOM 3230 O ALA A 516 3.946 14.860 22.407 1.00 26.14 A O

ATOM 3231 N VAL A 517 4.944 16.064 20.796 1.00 25.16 A N

ATOM 3233 CA VAL A 517 6.245 15.417 20.933 1.00 24.01 A C

ATOM 3235 CB VAL A 517 6.639 14.670 19.640 1.00 23.29 A C

ATOM 3237 CG1 VAL A 517 8.051 14.131 19.739 1.00 22.22 A C

ATOM 3241 CG2 VAL A 517 5.649 13.543 19.353 1.00 23.59 A C

ATOM 3245 C VAL A 517 7.298 16.475 21.245 1.00 22.61 A C

ATOM 3246 O VAL A 517 7.338 17.525 20.605 1.00 19.85 A O

ATOM 3247 N PHE A 518 8.146 16.186 22.228 1.00 21.08 A N

ATOM 3249 CA PHE A 518 9.147 17.134 22.684 1.00 21.35 A C

ATOM 3251 CB PHE A 518 8.872 17.517 24.139 1.00 21.99 A C

ATOM 3254 CG PHE A 518 7.574 18.252 24.334 1.00 22.64 A C

ATOM 3255 CD1 PHE A 518 6.397 17.557 24.588 1.00 22.62 A C

ATOM 3257 CE1 PHE A 518 5.199 18.230 24.771 1.00 22.81 A C

ATOM 3259 CZ PHE A 518 5.168 19.610 24.701 1.00 22.83 A C

ATOM 3261 CE2 PHE A 518 6.335 20.315 24.444 1.00 23.34 A C

ATOM 3263 CD2 PHE A 518 7.531 19.634 24.265 1.00 22.67 A C

ATOM 3265 C PHE A 518 10.553 16.557 22.545 1.00 20.25 A C

ATOM 3266 O PHE A 518 10.972 15.715 23.339 1.00 20.24 A O

ATOM 3267 N ILE A 519 11.273 17.021 21.529 1.00 19.58 A N

ATOM 3269 CA ILE A 519 12.645 16.596 21.282 1.00 18.14 A C

ATOM 3271 CB ILE A 519 12.993 16.702 19.780 1.00 18.55 A C

ATOM 3273 CG1 ILE A 519 11.971 15.958 18.904 1.00 18.96 A C

ATOM 3276 CD1 ILE A 519 11.881 14.478 19.148 1.00 19.25 A C

ATOM 3280 CG2 ILE A 51 9 14.428 16.210 19.518 1.00 17.65 A C

ATOM 3284 C ILE A 519 13.584 17.502 22.062 1.00 18.69 A C

ATOM 3285 O ILE A 519 13.377 18.710 22.116 1.00 19.78 A O

ATOM 3286 N HIS A 520 14.617 16.927 22.663 1.00 17.70 A N

ATOM 3288 CA HIS A 520 15.644 17.735 23.297 1.00 19.26 A C

ATOM 3290 CB HIS A 520 16.713 16.870 23.970 1.00 18.85 A C

AT0M 3293 CG HIS A 520 17.523 17.610 24.990 1.00 18.78 A C

ATOM 3294 ND1 HIS A 520 18.691 18.268 24.677 1.00 19.28 A N

ATOM 3296 CE1 HIS A 520 19.175 18.844 25.763 1.00 19.56 A C

ATOM 3298 NE2 HIS A 520 18.362 18.585 26.770 1.00 18.13 A N

ATOM 3300 CD2 HIS A 520 17.318 17.818 26.312 1.00 19.39 A C

ATOM 3302 C HIS A 520 16.273 18.617 22.234 1.00 20.06 A C

ATOM 3303 O HIS A 520 16.707 18.133 21.195 1.00 19.28 A O

ATOM 3304 N GLU A 521 16.302 19.916 22.506 1.00 22.02 A N

ATOM 3306 CA GLU A 521 16.829 20.907 21.572 1.00 24.61 A C

ATOM 3308 CB GLU A 521 16.558 22.322 22.098 1.00 27.57 A C

ATOM 3311 CG GLU A 521 16.924 22.527 23.564 1.00 30.48 A C

ATOM 3314 CD GLU A 521 15.713 22.506 24.494 1.00 32.94 A C

ATOM 3315 OE1 GLU A 521 15.456 23.537 25.158 1.00 34.80 A O

ATOM 3316 OE2 GLU A 521 15.021 21.461 24.570 1.00 32.59 A O

ATOM 3317 C GLU A 521 18.324 20.731 21.316 1.00 22.85 A C

ATOM 3318 O GLU A 521 18 872 21.327 20.392 1.00 21.09 A O

ATOM 3319 N GLY A 522 18.975 19.912 22.138 1.00 21.83 A N

ATOM 3321 CA GLY A 522 20.396 19.654 21.996 1.00 21.79 A C

ATOM 3324 C GLY A 522 20.700 18.447 21.127 1.00 22.00 A C

ATOM 3325 O GLY A 522 21.864 18.180 20.815 1.00 21.42 A O

ATOM 3326 N TYR A 523 19.657 17.716 20.737 1.00 21.22 A N

ATOM 3328 CA TYR A 523 19.810 16.568 19.851 1.00 21.13 A C

ATOM 3330 CB TYR A 523 18.653 15.574 20.033 1.00 20.58 A C

ATOM 3333 CG TYR A 523 18.682 14.430 19.047 1.00 19.34 A C

ATOM 3334 CD1 TYR A 523 19.573 13.375 19.204 1.00 19.19 A C

ATOM 3336 CE1 TYR A 523 19.606 12.327 18.307 1.00 19.08 A C

ATOM 3338 CZ TYR A 523 18.747 12.323 17.227 1.00 18.67 A C

ATOM 3339 OH TYR A 523 18.792 11.277 16.330 1.00 18.59 A O

ATOM 3341 CE2 TYR A 523 17.851 13.354 17.047 1.00 17.64 A C

ATOM 3343 CD2 TYR A 523 17.828 14.406 17.950 1.00 19.01 A C

ATOM 3345 C TYR A 523 19.865 17.026 18.402 1.00 20.40 A C

ATOM 3346 O TYR A 523 19.014 17.796 17.961 1.00 19.76 A O

ATOM 3347 N THR A 524 20.869 16.536 17.676 1.00 20.48 A N

ATOM 3349 CA THR A 524 21.031 16.800 16.249 1.00 20.34 A C

ATOM 3351 CB THR A 524 22.382 17.498 15.988 1.00 20.25 A C

ATOM 3353 OG1 THR A 524 22.517 18.644 16.842 1.00 19.83 A O

ATOM 3355 CG2 THR A 524 22.441 18.082 14.575 1.00 20.01 A C

ATOM 3359 C THR A 524 20.964 15.479 15.481 1.00 21.72 A C

ATOM 3360 O THR A 524 21.810 14.598 15.667 1.00 21.62 A O

ATOM 3361 N HIS A 525 19.970 15.351 14.609 1.00 22.85 A N

ATOM 3363 CA HIS A 525 19.655 14.065 13.989 1.00 24.74 A C

ATOM 3365 CB HIS A 525 18.405 14.177 13.113 1.00 24.49 A C

ATOM 3368 CG HIS A 525 17.735 12.862 12.853 1.00 24.66 A C

ATOM 3369 ND1 HIS A 525 17.515 11.930 13.844 1.00 24.65 A N

ATOM 3371 CE1 HIS A 525 16.913 10.873 13.327 1.00 24.48 A C

ATOM 3373 NE2 HIS A 525 16.734 11.086 12.037 1.00 24.10 A N

ATOM 3375 CD2 HIS A 525 17.243 12.322 11.713 1.00 24.55 A C

ATOM 3377 C HIS A 525 20.800 13.463 13.174 1.00 27.24 A C

ATOM 3378 O HIS A 525 21.100 12.277 13.311 1.00 29.85 A O

ATOM 3379 N ASP A 526 21.431 14.270 12.328 1.00 27.43 A N

ATOM 3381 CA ASP A 526 22.503 13.779 11.463 1.00 28.71 A C

ATOM 3383 CB ASP A 526 22.426 14.463 10.090 1.00 29.42 A C

ATOM 3389 C ASP A 526 23.901 13.997 12.044 1.00 28.23 A C

ATOM 3390 O ASP A 526 24.843 14.243 11.293 1.00 27.47 A O

ATOM 3391 N ALA A 527 24.044 13.896 13.364 1.00 28.21 A N

ATOM 3393 CA ALA A 527 25.324 14.175 14.012 1.00 28.08 A C

ATOM 3395 CB ALA A 527 25.567 15.676 14.060 1.00 28.39 A C

ATOM 3399 C ALA A 527 25.408 13.596 15.419 1.00 28.37 A C

ATOM 3400 O ALA A 527 25.426 14.341 16.403 1.00 31.36 A O

ATOM 3401 N GLY A 528 25.461 12.269 15.518 1.00 26.75 A N

ATOM 3403 CA GLY A 528 25.680 11.624 16.799 1.00 24.95 A C

ATOM 3406 C GLY A 528 24.468 11.626 17.709 1.00 22.23 A C

ATOM 3407 O GLY A 528 23.437 12.221 17.402 1.00 21.51 A O

ATOM 3408 N PHE A 529 24.618 10.979 18.859 1.00 19.79 A N

ATOM 3410 CA PHE A 529 23.493 10.652 19.721 1.00 17.41 A C

ATOM 3412 CB PHE A 529 23.491 9.150 19.988 1.00 16.95 A C

ATOM 3415 CG PHE A 529 23.129 8.314 18.787 1.00 16.85 A C

ATOM 3416 CD1 PHE A 529 24.117 7.768 17.982 1.00 16.57 A C

ATOM 3418 CE1 PHE A 529 23.781 6.982 16.883 1.00 17.55 A C

ATOM 3420 CZ PHE A 529 22.444 6.731 16.593 1.00 16.92 A C

ATOM 3422 CE2 PHE A 529 21.454 7.273 17.395 1.00 15.15 A C

ATOM 3424 CD2 PHE A 529 21.796 8.053 18.481 1.00 15.81 A C

ATOM 3426 C PHE A 529 23.526 11.396 21.056 1.00 18.28 A C

ATOM 3427 O PHE A 529 22.858 11.002 22.016 1.00 18.36 A O

ATOM 3428 N ASP A 530 24.301 12.471 21.126 1.00 17.70 A N

ATOM 3430 CA ASP A 530 24.289 13.316 22.311 1.00 18.22 A C

ATOM 3432 CB ASP A 530 25.296 14.469 22.162 1.00 17.78 A C

ATOM 3435 CG ASP A 530 25.824 14.983 23.502 1.00 18.11 A C

ATOM 3436 OD1 ASP A 530 25.574 14.339 24.545 1.00 17.83 A O

ATOM 3437 OD2 ASP A 530 26.507 16.031 23.605 1.00 19.30 A O

ATOM 3438 C ASP A 530 22.863 13.848 22.512 1.00 16.97 A C

ATOM 3439 O ASP A 530 22.200 14.257 21.554 1.00 17.68 A O

ATOM 3440 N ASN A 531 22.391 13.815 23.753 1.00 15.87 A N

ATOM 3442 CA ASN A 531 21.074 14.343 24.101 1.00 15.38 A C

ATOM 3444 CB ASN A 531 21.009 15.841 23.810 1.00 15.40 A C

ATOM 3447 CG ASN A 531 22.146 16.595 24.451 1.00 14.95 A C

ATOM 3448 OD1 ASN A 531 22.371 16.483 25.659 1.00 14.78 A O

ATOM 3449 ND2 ASN A 531 22.877 17.359 23.651 1.00 12.14 A N

ATOM 3452 C ASN A 531 19.939 13.618 23.403 1.00 15.86 A C

ATOM 3453 O ASN A 531 18.930 14.218 23.031 1.00 15.46 A O

ATOM 3454 N ASP A 532 20.110 12.311 23.257 1.00 16.35 A N

ATOM 3456 CA ASP A 532 19.132 11.466 22.602 1.00 16.73 A C

ATOM 3458 CB ASP A 532 19.822 10.189 22.134 1.00 16.74 A C

ATOM 3461 CG ASP A 532 18.943 9.334 21.273 1.00 17.53 A C

ATOM 3462 OD1 ASP A 532 17.844 9.807 20.908 1.00 17 59 A O

AT0M 3463 OD2 ASP A 532 19.270 8.175 20.914 1.00 16.87 A O

ATOM 3464 C ASP A 532 17.992 11.154 23.578 1.00 18.95 A C

ATOM 3465 O ASP A 532 17.978 10.106 24.225 1.00 20.57 A O

ATOM 3466 N ILE A 533 17.047 12.084 23.689 1.00 17.99 A N

ATOM 3468 CA ILE A 533 15.935 11.949 24.619 1.00 18.17 A C

ATOM 3470 CB ILE A 533 16.343 12.406 26.039 1.00 18.22 A C

ATOM 3472 CG1 ILE A 533 15.200 12.145 27.031 1.00 19.18 A C

ATOM 3475 CD1 ILE A 533 15.617 12.185 28.491 1.00 19.50 A C

ATOM 3479 CG2 ILE A 533 16.740 13.880 26.040 1.00 17.21 A C

ATOM 3483 C ILE A 533 14.730 12.750 24.129 1.00 19.35 A C

ATOM 3484 O ILE A 533 14.870 13.857 23.606 1.00 19.69 A O

ATOM 3485 N ALA A 534 13.547 12.168 24.297 1.00 20.83 A N

ATOM 3487 CA ALA A 534 12.311 12.785 23.847 1.00 21.07 A C

ATOM 3489 CB ALA A 534 12.005 12.370 22.426 1.00 20.61 A C

ATOM 3493 C ALA A 534 11.151 12.418 24.767 1.00 22.04 A C

ATOM 3494 O ALA A 534 11.149 11.354 25.389 1.00 21.66 A O

ATOM 3495 N LEU A 535 10.165 13.312 24.845 1.00 22.61 A N

ATOM 3497 CA LEU A 535 8.942 13.055 25.598 1.00 21.59 A C

ATOM 3499 CB LEU A 535 8.782 14.082 26.718 1.00 21.70 A C

ATOM 3502 CG LEU A 535 9.642 13.881 27.968 1.00 22.65 A C

ATOM 3504 CD1 LEU A 535 9.572 15.121 28.835 1.00 21.37 A C

ATOM 3508 CD2 LEU A 535 9.202 12.637 28.759 1.00 23.31 A C

ATOM 3512 C LEU A 535 7.718 13.102 24.685 1.00 19.87 A C

ATOM 3513 O LEU A 535 7.648 13.904 23.769 1.00 20.78 A O

ATOM 3514 N ILE A 536 6.752 12.237 24.960 1.00 20.25 A N

ATOM 3516 CA ILE A 536 5.513 12.175 24.200 1.00 19.32 A C

ATOM 3518 CB ILE A 536 5.377 10.813 23.502 1.00 18.23 A C

ATOM 3520 CG1 ILE A 536 6.512 10.611 22.492 1.00 18.13 A C

ATOM 3523 CD1 ILE A 536 6.615 9.198 21.983 1.00 17.94 A C

ATOM 3527 CG2 ILE A 536 4.021 10.703 22.826 1.00 19.51 A C

ATOM 3531 C ILE A 536 4.353 12.374 25.164 1.00 19.72 A C

ATOM 3532 O ILE A 536 4.240 11.666 26.159 1.00 19.89 A O

ATOM 3533 N LYS A 537 3.503 13.349 24.871 1.00 20.16 A N

ATOM 3535 CA LYS A 537 2.344 13.629 25.696 1.00 19.78 A C

ATOM 3537 CB LYS A 537 2.033 15.127 25.653 1.00 20.82 A C

ATOM 3540 CG LYS A 537 0.725 15 525 26.308 1.00 21.91 A C

ATOM 3543 CD LYS A 537 0.872 15.651 27.804 1.00 22.33 A C

ATOM 3546 CE LYS A 537 -0.471 15.960 28.462 1.00 23.32 A C

ATOM 3549 NZ LYS A 537 -0.936 17.323 28.122 1.00 23.02 A N

ATOM 3553 C LYS A 537 1.171 12.819 25.177 1.00 18.99 A C

ATOM 3554 O LYS A 537 0.865 12.860 23.993 1.00 19.82 A O

ATOM 3555 N LEU A 538 0.522 12.066 26.055 1.00 19.85 A N

ATOM 3557 CA LEU A 538 -0.668 11.319 25.667 1.00 19.63 A C

ATOM 3559 CB LEU A 538 -0.851 10.100 26.567 1.00 19.20 A C

ATOM 3562 CG LEU A 538 0.331 9.122 26.649 1.00 18.53 A C

ATOM 3564 CD1 LEU A 538 -0.092 7.856 27.394 1.00 17.93 A C

ATOM 3568 CD2 LEU A 538 0.893 8.780 25.270 1.00 17.05 A C

ATOM 3572 C LEU A 538 -1.903 12.216 25.724 1.00 20.63 A C

ATOM 3573 O LEU A 538 -1.989 13.113 26.554 1.00 19.71 A O

ATOM 3574 N ASN A 539 -2.853 11.965 24.830 1.00 24.99 A N

ATOM 3576 CA ASN A 539 -4.058 12.778 24.723 1.00 27.63 A C

ATOM 3578 CB ASN A 539 -4.814 12.439 23.440 1.00 30.95 A C

ATOM 3581 CG ASN A 539 -4.364 13.276 22.254 1.00 34.40 A C

ATOM 3582 OD1 ASN A 539 -4.201 14.497 22.362 1.00 37.35 A O

ATOM 3583 ND2 ASN A 539 -4.170 12.625 21.108 1.00 34.90 A N

ATOM 3586 C ASN A 539 -4.979 12.567 25.916 1.00 28.78 A C

ATOM 3587 O ASN A 539 -5.712 13.471 26.312 1.00 30.21 A O

ATOM 3588 N ASN A 540 -4.941 11.361 26.473 1.00 28.43 A N

ATOM 3590 CA ASN A 540 -5.732 11.013 27.642 1.00 27.41 A C

ATOM 3592 CB ASN A 540 -6.952 10.179 27.237 1.00 27.70 A C

ATOM 3595 CG ASN A 540 -8.059 11.014 26.605 1.00 28.47 A C

ATOM 3596 OD1 ASN A 540 -8.754 10.550 25.701 1.00 28.30 A O

ATOM 3597 ND2 ASN A 540 -8.233 12.244 27.084 1.00 27.73 A N

ATOM 3600 C ASN A 540 -4.881 10.218 28.616 1.00 25.51 A C

ATOM 3601 O ASN A 540 -3.876 9.634 28.232 1.00 26.67 A O

ATOM 3602 N LYS A 541 -5.284 10.203 29.879 1.00 24.80 A N

ATOM 3604 CA LYS A 541 -4.609 9.399 30.887 1.00 25.25 A C

ATOM 3606 CB LYS A 541 -4.985 9.880 32.290 1.00 27.52 A C

ATOM 3609 CG LYS A 541 -4.367 11.220 32.677 1.00 28.52 A C

ATOM 3612 CD LYS A 541 -5.164 11.897 33.787 1.00 29.25 A C

ATOM 3615 CE LYS A 541 -4.546 13.231 34.187 1.00 29.51 A C

ATOM 3618 NZ LYS A 541 -3.145 13.080 34.668 1.00 29.05 A N

ATOM 3622 C LYS A 541 -4.986 7.927 30.725 1.00 23.57 A C

AT0M 3623 O LYS A 541 -6.130 7.606 30.404 1.00 22.61 A O

ATOM 3624 N VAL A 542 -4.020 7.038 30.939 1.00 22.06 A N

ATOM 3626 CA VAL A 542 -4.280 5.602 30.880 1.00 21.83 A C

ATOM 3628 CB VAL A 542 -3.086 4.798 30.277 1.00 21.34 A C

ATOM 3630 CG1 VAL A 542 -2.930 5.109 28.786 1.00 20.86 A C

ATOM 3634 CG2 VAL A 542 -1.783 5.063 31.022 1.00 21.84 A C

ATOM 3638 C VAL A 542 -4.635 5.068 32.266 1.00 22.30 A C

ATOM 3639 O VAL A 542 -4.198 5.612 33.283 1.00 22.49 A O

ATOM 3640 N VAL A 543 -5.444 4.015 32.299 1.00 22.73 A N

ATOM 3642 CA VAL A 543 -5.784 3.357 33.552 1.00 24.19 A C

ATOM 3644 CB VAL A 543 -6.890 2.286 33.374 1.00 26.79 A C

ATOM 3646 CG1 VAL A 543 -7.125 1.529 34.679 1.00 28.15 A C

ATOM 3650 CG2 VAL A 543 -8.201 2.912 32.892 1.00 27.26 A C

ATOM 3654 C VAL A 543 -4.527 2.688 34.087 1.00 23.92 A C

ATOM 3655 O VAL A 543 -3.780 2.053 33.338 1.00 23.26 A O

ATOM 3656 N ILE A 544 -4.293 2.850 35.384 1.00 23.40 A N

ATOM 3658 CA ILE A 544 -3.140 2.260 36.036 1.00 23.04 A C

ATOM 3660 CB ILE A 544 -2.473 3.297 36.949 1.00 22.29 A C

ATOM 3662 CG1 ILE A 544 -2.084 4.541 36.139 1.00 22.00 A C

ATOM 3665 CD1 ILE A 544 -0.984 4.321 35.106 1.00 21.65 A C

ATOM 3669 CG2 ILE A 544 -1.262 2.696 37.673 1.00 22.08 A C

ATOM 3673 C ILE A 544 -3.563 1.029 36.837 1.00 24.60 A C

ATOM 3674 O ILE A 544 -4.385 1.127 37.753 1.00 24.50 A O

ATOM 3675 N ASN A 545 -3.011 -0.125 36.457 1.00 24.33 A N

ATOM 3677 CA ASN A 545 -3.226 -1.386 37.162 1.00 23.48 A C

ATOM 3679 CB ASN A 545 -4.432 -2.126 36.567 1.00 23.82 A C

ATOM 3682 CG ASN A 545 -4.256 -2.446 35.091 1.00 23.49 A C

ATOM 3683 OD1 ASN A 545 -3.141 -2.627 34.612 1.00 24.80 A O

ATOM 3684 ND2 ASN A 545 -5.364 -2.514 34.363 1.00 23.11 A N

ATOM 3687 C ASN A 545 -1.956 -2.255 37.117 1.00 23.21 A C

ATOM 3688 O ASN A 545 -0.878 -1.761 36.779 1.00 23.53 A O

ATOM 3689 N SER A 546 -2.083 -3.538 37.455 1.00 22.72 A N

ATOM 3691 CA SER A 546 -0.937 -4.453 37.518 1.00 22.49 A C

ATOM 3693 CB SER A 546 -1.408 -5.870 37.843 1.00 22.50 A C

ATOM 3696 OG SER A 546 -1.674 -5.998 39.224 1.00 24.93 A O

ATOM 3698 C SER A 546 -0.110 -4.501 36.237 1.00 21.76 A C

ATOM 3699 O SER A 546 1.108 -4.695 36.284 1.00 22.34 A O

ATOM 3700 N ASN A 547 -0.776 -4.340 35.100 1.00 20.04 A N

ATOM 3702 CA ASN A 547 -0.118 -4.433 33.805 1.00 20.44 A C

ATOM 3704 CB ASN A 547 -1.060 -5.106 32.809 1.00 20.74 A C

ATOM 3707 CG ASN A 547 -1.372 -6.528 33.189 1.00 21.05 A C

ATOM 3708 OD1 ASN A 547 -0.467 -7.336 33.403 1.00 24.56 A O

ATOM 3709 ND2 ASN A 547 -2.651 -6.845 33.290 1.00 21.33 A N

ATOM 3712 C ASN A 547 0.347 -3.096 33.232 1.00 19.71 A C

ATOM 3713 O ASN A 547 1.140 -3.069 32.291 1.00 21.78 A O

ATOM 3714 N ILE A 548 -0.170 -1.997 33.773 1.00 18.61 A N

ATOM 3716 CA ILE A 548 0.188 -0.660 33.305 1.00 19.52 A C

ATOM 3718 CB ILE A 548 -0.961 -0.049 32.477 1.00 20.35 A C

ATOM 3720 CG1 ILE A 548 -1.194 -0.876 31.207 1.00 20.88 A C

ATOM 3723 CD1 ILE A 548 -2.510 -0.585 30.491 1.00 22.19 A C

ATOM 3727 CG2 ILE A 548 -0.650 1.404 32.130 1.00 21.42 A C

ATOM 3731 C ILE A 548 0.537 0.241 34.495 1.00 20.58 A C

ATOM 3732 O ILE A 548 -0.342 0.669 35.238 1.00 20 86 A O

ATOM 3733 N THR A 549 1.829 0.507 34.667 1.00 19.77 A N

ATOM 3735 CA THR A 549 2.342 1.305 35.776 1.00 19.04 A C

ATOM 3737 CB THR A 549 2.720 0.382 36.972 1.00 19.68 A C

ATOM 3739 OG1 THR A 549 1.539 -0.159 37.572 1.00 18.98 A O

ATOM 3741 CG2 THR A 549 3.371 1.161 38.114 1.00 19.97 A C

ATOM 3745 C THR A 549 3.579 2.039 35.279 1.00 18.57 A C

ATOM 3746 O THR A 549 4.437 1.429 34.646 1.00 19.82 A O

ATOM 3747 N PRO A 550 3.698 3.333 35.564 1.00 18.16 A N

ATOM 3748 CA PRO A 550 4.868 4.098 35.110 1.00 17.29 A C

ATOM 3750 CB PRO A 550 4.519 5.532 35.500 1.00 17.59 A C

ATOM 3753 CG PRO A 550 3.578 5.404 36.619 1.00 17.33 A C

ATOM 3756 CD PRO A 550 2.766 4.168 36.339 1.00 17.55 A C

ATOM 3759 C PRO A 550 6.167 3.681 35.799 1.00 18.63 A C

ATOM 3760 O PRO A 550 6.157 3.164 36.919 1.00 16.88 A O

ATOM 3761 N ILE A 551 7.282 3.904 35.118 1.00 17.38 A N

ATOM 3763 CA ILE A 551 8.580 3.768 35.746 1.00 16.45 A C

ATOM 3765 CB ILE A 551 9.670 3.496 34.689 1.00 15.33 A C

ATOM 3767 CG1 ILE A 551 10.972 3.063 35.362 1.00 15.27 A C

ATOM 3770 CD1 ILE A 551 10.888 1.726 36.093 1.00 13.29 A C

ATOM 3774 CG2 ILE A 551 9.909 4.726 33.809 1.00 16.30 A C

ATOM 3778 C ILE A 551 8.873 5.041 36.545 1.00 17.64 A C

ATOM 3779 O ILE A 551 8.380 6.115 36.212 1.00 15.18 A O

ATOM 3780 N CYS A 552 9.654 4.909 37.612 1.00 18.84 A N

ATOM 3782 CA CYS A 552 10.044 6.055 38.424 1.00 20.39 A C

ATOM 3784 CB CYS A 552 10.496 5.609 39.814 1.00 21.15 A C

ATOM 3787 SG CYS A 552 9.186 4.920 40.842 1.00 21.37 A S

ATOM 3788 C CYS A 552 11.188 6.800 37.768 1.00 21.70 A C

ATOM 3789 O CYS A 552 12.041 6.206 37.115 1.00 24.05 A O

ATOM 3790 N LEU A 553 11.201 8.110 37.939 1.00 21.96 A N

ATOM 3792 CA LEU A 553 12.332 8.898 37.510 1.00 23.05 A C

ATOM 3794 CB LEU A 553 11.917 10.351 37.286 1.00 23.74 A C

ATOM 3797 CG LEU A 553 11.125 10.577 36.000 1.00 24.23 A C

ATOM 3799 CD1 LEU A 553 10.516 11.979 35.989 1.00 24.75 A C

ATOM 3803 CD2 LEU A 553 12.011 10.354 34.783 1.00 24.13 A C

ATOM 3807 C LEU A 553 13.399 8.800 38.587 1.00 22.32 A C

ATOM 3808 O LEU A 553 13.083 8.665 39.766 1.00 21.58 A O

ATOM 3809 N PRO A 554 14.660 8.841 38.180 1.00 23.83 A N

AT0M 3810 CA PRO A 554 15.780 8.747 39.122 1.00 25.36 A C

ATOM 3812 CB PRO A 554 16.993 8.585 38.199 1.00 24.91 A C

ATOM 3815 CG PRO A 554 16.587 9.227 36.933 1.00 24.60 A C

ATOM 3818 CD PRO A 554 15.115 8.971 36.786 1.00 23.57 A C

ATOM 3821 C PRO A 554 15.910 10.004 39.982 1.00 26.81 A C

ATOM 3822 O PRO A 554 15.960 11.113 39.445 1.00 26.90 A O

ATOM 3823 N ARG A 555 15.936 9.829 41.299 1.00 29.30 A N

ATOM 3825 CA ARG A 555 16.123 10.952 42.219 1.00 31.39 A C

ATOM 3827 CB ARG A 555 15.517 10.637 43.595 1.00 32.76 A C

ATOM 3830 CG ARG A 555 15.897 9.278 44.175 1.00 33.98 A C

ATOM 3833 CD ARG A 555 16.199 9.307 45.670 1.00 34.75 A C

ATOM 3836 NE ARG A 555 16.239 7.969 46.265 1.00 34.64 A N

ATOM 3838 CZ ARG A 555 16.685 7.710 47.493 1.00 34.90 A C

ATOM 3839 NH1 ARG A 555 17.132 8.693 48.263 1.00 34.15 A N

ATOM 3842 NH2 ARG A 555 16.684 6.466 47.956 1.00 34.63 A N

ATOM 3845 C ARG A 555 17.606 11.320 42.347 1.00 32.33 A C

ATOM 3846 O ARG A 555 18.472 10.647 41.793 1.00 32.64 A O

ATOM 3847 N LYS A 556 17.893 12.400 43.066 1.00 33.64 A N

ATOM 3849 CA LYS A 556 19.262 12.883 43.218 1.00 34.28 A C

ATOM 3851 CB LYS A 556 19.329 13.931 44.332 1.00 34.48 A C

ATOM 3858 C LYS A 556 20.235 11.748 43.526 1.00 34.57 A C

ATOM 3859 O LYS A 556 21.268 11.608 42.871 1.00 35.09 A O

ATOM 3860 N GLU A 557 19.886 10.929 44.514 1.00 34.95 A N

ATOM 3862 CA GLU A 557 20.781 9.887 45.012 1.00 35.21 A C

ATOM 3864 CB GLU A 557 20.529 9.666 46.506 1.00 35.69 A C

ATOM 3867 CG GLU A 557 20.515 10.943 47.333 1.00 35.65 A C

ATOM 3873 C GLU A 557 20.638 8.556 44.264 1.00 35.63 A C

ATOM 3874 O GLU A 557 20.910 7.492 44.827 1.00 35.01 A O

ATOM 3875 N ALA A 558 20.227 8.615 42.998 1.00 35.37 A N

ATOM 3877 CA ALA A 558 20.031 7.411 42.193 1.00 35.07 A C

ATOM 3879 CB ALA A 558 19.082 7.695 41.037 1.00 35.79 A C

ATOM 3883 C ALA A 558 21.358 6.876 41.665 1.00 34.73 A C

ATOM 3884 O ALA A 558 21.470 5.698 41.330 1.00 33.37 A O

ATOM 3885 N GLU A 559 22.360 7.748 41.593 1.00 35.06 A N

ATOM 3887 CA GLU A 559 23.693 7.357 41.146 1.00 36.00 A C

ATOM 3889 CB GLU A 559 24.635 8.568 41.164 1.00 37.68 A C

ATOM 3892 CG GLU A 559 24.315 9.623 40.110 1.00 39.14 A C

ATOM 3895 CD GLU A 559 24.940 9.325 38.752 1.00 39.60 A C

ATOM 3896 OE1 GLU A 559 24.770 8.192 38.246 1.00 38.62 A O

ATOM 3897 OE2 GLU A 559 25.597 10.232 38.188 1.00 39.59 A O

ATOM 3898 C GLU A 559 24.282 6.231 42.002 1.00 34.33 A C

ATOM 3899 O GLU A 559 25.151 5.489 41.544 1.00 32.38 A O

ATOM 3900 N SER A 560 23.806 6.112 43.240 1.00 33.49 A N

ATOM 3902 CA SER A 560 24.277 5.077 44.162 1.00 33.24 A C

ATOM 3904 CB SER A 560 23.557 5.188 45.512 1.00 32.92 A C

ATOM 3907 OG SER A 560 23.587 6.512 46.013 1.00 33.55 A O

ATOM 3909 C SER A 560 24.061 3.672 43.601 1.00 32.55 A C

ATOM 3910 O SER A 560 24.883 2.781 43.805 1.00 30.63 A O

ATOM 3911 N PHE A 561 22.947 3.485 42.900 1.00 31.90 A N

ATOM 3913 CA PHE A 561 22.552 2.165 42.413 1.00 32.27 A C

ATOM 3915 CB PHE A 561 21.054 1.942 42.646 1.00 33.60 A C

ATOM 3918 CG PHE A 561 20.577 2.385 44.003 1.00 34.46 A C

ATOM 3919 CD1 PHE A 561 20.033 3.646 44.183 1.00 35.05 A C

ATOM 3921 CE1 PHE A 561 19.589 4.056 45.424 1.00 35.91 A C

ATOM 3923 CZ PHE A 561 19.685 3.204 46.509 1.00 36.71 A C

ATOM 3925 CE2 PHE A 561 20.222 1.943 46.344 1.00 36.31 A C

ATOM 3927 CD2 PHE A 561 20.664 1.537 45.093 1.00 35.79 A C

ATOM 3929 C PHE A 561 22.877 1.952 40.935 1.00 30.12 A C

ATOM 3930 O PHE A 561 22.442 0.967 40.343 1.00 28.28 A O

ATOM 3931 N MET A 562 23.655 2.862 40.353 1.00 30.12 A N

ATOM 3933 CA MET A 562 24.053 2.762 38.949 1.00 30.30 A C

ATOM 3935 CB MET A 562 23.400 3.878 38.147 1.00 29.52 A C

ATOM 3938 CG MET A 562 21.894 3.772 38.051 1.00 30.09 A C

ATOM 3941 SD MET A 562 21.203 5.128 37.098 1.00 30.06 A S

ATOM 3942 CE MET A 562 22.173 5.039 35.606 1.00 30.17 A C

ATOM 3946 C MET A 562 25.570 2.850 38.761 1.00 30.80 A C

ATOM 3947 O MET A 562 26.049 3.396 37.763 1.00 31.78 A O

ATOM 3948 N ARG A 563 26.321 2.304 39.711 1.00 29.46 A N

ATOM 3950 CA ARG A 563 27.778 2.348 39.654 1.00 29.50 A C

ATOM 3952 CB ARG A 563 28.367 2.208 41.058 1.00 30.13 A C

ATOM 3955 CG ARG A 563 27.826 3.221 42.042 1.00 31.17 A C

ATOM 3958 CD ARG A 563 28.013 2.836 43.497 1.00 33.11 A C

ATOM 3961 NE ARG A 563 27.589 3.921 44.379 1.00 34.13 A N

ATOM 3963 CZ ARG A 563 27.894 4.012 45.667 1.00 34.23 A C

ATOM 3964 NH1 ARG A 563 28.644 3.084 46.255 1.00 35.27 A N

ATOM 3967 NH2 ARG A 563 27.451 5.044 46.371 1.00 34.06 A N

ATOM 3970 C ARG A 563 28.306 1.240 38.753 1.00 27.99 A C

ATOM 3971 O ARG A 563 27.567 0.328 38.388 1.00 27.72 A O

ATOM 3972 N THR A 564 29.581 1.323 38.387 1.00 26.21 A N

ATOM 3974 CA THR A 564 30.192 0.292 37.562 1.00 26.24 A C

ATOM 3976 CB THR A 564 31.699 0.547 37.410 1.00 26.65 A C

ATOM 3978 OG1 THR A 564 31.915 1.744 36.655 1.00 27.26 A O

ATOM 3980 CG2 THR A 564 32.362 -0.535 36.568 1.00 27.02 A C

ATOM 3984 C THR A 564 29.937 -1.072 38.196 1.00 26.07 A C

ATOM 3985 O THR A 564 30.215 -1.275 39.374 1.00 26.54 A O

ATOM 3986 N ASP A 565 29.373 -1.984 37.411 1.00 26.61 A N

ATOM 3988 CA ASP A 565 29.078 -3.354 37.842 1.00 27.76 A C

ATOM 3990 CB ASP A 565 30.164 -3.899 38.777 1.00 28.45 A C

ATOM 3993 CG ASP A 565 31.532 -3.945 38.119 1.00 29.06 A C

ATOM 3994 OD1 ASP A 565 31.605 -4.274 36.916 1.00 29.43 A O

ATOM 3995 OD2 ASP A 565 32.589 -3.675 38.729 1.00 30.32 A O

ATOM 3996 C ASP A 565 27.697 -3.515 38.488 1.00 28.51 A C

ATOM 3997 O ASP A 565 27.276 -4.639 38.773 1.00 29.92 A O

ATOM 3998 N ASP A 566 26.996 -2.406 38.718 1.00 27.59 A N

ATOM 4000 CA ASP A 566 25.611 -2.463 39.178 1.00 27.82 A C

ATOM 4002 CB ASP A 566 25.147 -1.098 39.700 1.00 28.73 A C

ATOM 4005 CG ASP A 566 25.563 -0.844 41.141 1.00 28.47 A C

ATOM 4006 OD1 ASP A 566 26.309 -1.665 41.714 1.00 29.62 A O

ATOM 4007 OD2 ASP A 566 25.189 0.157 41.785 1.00 27.54 A O

ATOM 4008 C ASP A 566 24.706 -2.928 38.032 1.00 27.09 A C

ATOM 4009 O ASP A 566 24.950 -2.616 36.868 1.00 25.57 A O

ATOM 4010 N ILE A 567 23.654 -3.664 38.373 1.00 27.22 A N

ATOM 4012 CA ILE A 567 22.863 -4.385 37.383 1.00 26.20 A C

ATOM 4014 CB ILE A 567 22.481 -5.786 37.932 1.00 26.75 A C

ATOM 4016 CG1 ILE A 567 23.71 -6.505 38.497 1.00 28.07 A C

ATOM 4019 CD1 ILE A 567 24.884 -6.638 37.520 1.00 28.17 A C

ATOM 4023 CG2 ILE A 567 21.817 -6.634 36.854 1.00 27.67 A C

ATOM 4027 C ILE A 567 21.606 -3.615 36.975 1.00 25.90 A C

ATOM 4028 O ILE A 567 20.788 -3.241 37.818 1.00 27.14 A O

ATOM 4029 N GLY A 568 21.478 -3.370 35.675 1.00 23.29 A N

ATOM 4031 CA GLY A 568 20.281 -2.792 35.098 1.00 22.51 A C

ATOM 4034 C GLY A 568 19.612 -3.770 34.150 1.00 20.44 A C

ATOM 4035 O GLY A 568 20.230 -4.735 33.715 1.00 17.69 A O

ATOM 4036 N THR A 569 18.349 -3.515 33.821 1.00 20.37 A N

ATOM 4038 CA THR A 569 17.569 -4.423 32.991 1.00 19.90 A C

ATOM 4040 CB THR A 569 16.408 -5.013 33.810 1.00 19.41 A C

ATOM 4042 OG1 THR A 569 16.921 -5.684 34.964 1.00 20.28 A O

ATOM 4044 CG2 THR A 569 15.690 -6.105 33.043 1.00 18.48 A C

ATOM 4048 C THR A 569 17.011 -3.706 31.771 1.00 20.65 A C

ATOM 4049 O THR A 569 16.422 -2.640 31.893 1.00 21.81 A O

ATOM 4050 N ALA A 570 17.198 -4.299 30.596 1.00 22.12 A N

ATOM 4052 CA ALA A 570 16.617 -3.777 29.365 1.00 23.49 A C

ATOM 4054 CB ALA A 570 17.698 -3.580 28.329 1.00 23.43 A C

ATOM 4058 C ALA A 570 15.560 -4.751 28.850 1.00 24.03 A C

ATOM 4059 O ALA A 570 15.760 -5.960 28.889 1.00 24.01 A O

ATOM 4060 N SER A 571 14.433 -4.227 28.376 1.00 23.42 A N

ATOM 4062 CA SER A 571 13.375 -5.073 27.834 1.00 22.06 A C

ATOM 4064 CB SER A 571 12.150 -5.034 28.744 1.00 21.76 A C

ATOM 4067 OG SER A 571 11.639 -3.719 28.890 1.00 19.28 A O

ATOM 4069 C SER A 571 12.985 -4.672 26.408 1.00 23.63 A C

ATOM 4070 O SER A 571 13.072 -3.506 26.038 1.00 25.48 A O

ATOM 4071 N GLY A 572 12.562 -5.648 25.609 1.00 23.56 A N

ATOM 4073 CA GLY A 572 12.073 -5.372 24.272 1.00 22.56 A C

ATOM 4076 C GLY A 572 11.767 -6.610 23.451 1.00 21.23 A C

ATOM 4077 O GLY A 572 11.869 -7.739 23.926 1.00 22.76 A O

ATOM 4078 N TRP A 573 11.394 -6.387 22.198 1.00 21.64 A N

ATOM 4080 CA TRP A 573 11.071 -7.468 21.278 1.00 23.20 A C

ATOM 4082 CB TRP A 573 9.754 -7.151 20.572 1.00 22.84 A C

ATOM 4085 CG TRP A 573 8.582 -7.213 21.493 1.00 23.34 A C

ATOM 4086 CD1 TRP A 573 7.860 -8.321 21.820 1.00 22.87 A C

ATOM 4088 NE1 TRP A 573 6.857 -7.989 22.698 1.00 23.69 A N

ATOM 4090 CE2 TRP A 573 6.916 -6.645 22.956 1.00 23.55 A C

ATOM 4091 CD2 TRP A 573 7.995 -6.124 22.216 1.00 22.02 A C

ATOM 4092 CE3 TRP A 573 8.266 -4.755 22.308 1.00 22.90 A C

ATOM 4094 CZ3 TRP A 573 7.469 -3.965 23.129 1.00 22.67 A C

ATOM 4096 CH2 TRP A 573 6.408 -4.514 23.851 1.00 23.02 A C

ATOM 4098 CZ2 TRP A 573 6.112 -5.849 23.779 1.00 24.01 A C

ATOM 4100 C TRP A 573 12.176 -7.698 20.249 1.00 23.29 A C

ATOM 4101 O TRP A 573 12.066 -8.584 19.411 1.00 22.50 A O

ATOM 4102 N GLY A 574 13.244 -6.912 20.329 1.00 26.39 A N

ATOM 4104 CA GLY A 574 14.348 -7.004 19.385 1.00 28.84 A C

ATOM 4107 C GLY A 574 14.163 -6.101 18.178 1.00 31.77 A C

ATOM 4108 O GLY A 574 14.660 -6.400 17.092 1.00 32.04 A O

ATOM 4109 N LEU A 575 13.468 -4.981 18.380 1.00 35.53 A N

ATOM 4111 CA LEU A 575 13.105 -4.058 17.298 1.00 37.30 A C

ATOM 4113 CB LEU A 575 12.262 -2.897 17.853 1.00 37.48 A C

ATOM 4116 CG LEU A 575 10.883 -3.258 18.424 1.00 38.17 A C

ATOM 4118 CD1 LEU A 575 10.243 -2.070 19.152 1.00 38.25 A C

ATOM 4122 CD2 LEU A 575 9.955 -3.764 17.332 1.00 38.76 A C

ATOM 4126 C LEU A 575 14.297 -3.498 16.520 1.00 38.53 A C

ATOM 4127 O LEU A 575 14.167 -3.192 15.332 1.00 40.14 A O

ATOM 4128 N THR A 576 15.446 -3.364 17.184 1.00 39.35 A N

ATOM 4130 CA THR A 576 16.627 -2.747 16.578 1.00 40.19 A C

ATOM 4132 CB THR A 576 17.011 -1.464 17.365 1.00 42.36 A C

ATOM 4134 OG1 THR A 576 15.866 -0.606 17.485 1.00 41.67 A O

ATOM 4136 CG2 THR A 576 18.030 -0.610 16.591 1.00 42.83 A C

ATOM 4140 C THR A 576 17.838 -3.689 16.465 1.00 40.23 A C

ATOM 4141 O THR A 576 18.905 -3.273 16.001 1.00 41.66 A O

ATOM 4142 N GLN A 577 17.686 -4.949 16.881 1.00 38.84 A N

ATOM 4144 CA GLN A 577 18.672 -5.985 16.552 1.00 36.08 A C

ATOM 4146 CB GLN A 577 18.510 -7.217 17.456 1.00 37.93 A C

ATOM 4149 CG GLN A 577 18.839 -6.971 18.935 1.00 40.12 A C

ATOM 4152 CD GLN A 577 18.122 -7.934 19.887 1.00 41.19 A C

ATOM 4153 OE1 GLN A 577 18.091 -9.147 19.655 1.00 40 91 A O

ATOM 4154 NE2 GLN A 577 17.555 -7.390 20.965 1.00 42.35 A N

ATOM 4157 C GLN A 577 18.472 -6.339 15.073 1.00 32.14 A C

ATOM 4158 O GLN A 577 18.130 -5.468 14.279 1.00 33.41 A O

ATOM 4159 N ARG A 578 18.684 -7.595 14.690 1.00 26.70 A N

ATOM 4161 CA ARG A 578 18.402 -8.020 13.320 1.00 22.57 A C

ATOM 4163 CB ARG A 578 19.703 -8.113 12.510 1.00 23.37 A C

ATOM 4166 CG ARG A 578 20.733 -9.081 13.083 1.00 24.05 A C

ATOM 4169 CD ARG A 578 21.973 -9.237 12.222 1.00 25.05 A C

ATOM 4172 NE ARG A 578 22.763 -10.407 12.595 1.00 26.36 A N

ATOM 4174 CZ ARG A 578 23.885 -10.781 11.987 1.00 28.38 A C

ATOM 4175 NH1 ARG A 578 24.366 -10.082 10.963 1.00 29.05 A N

ATOM 4178 NH2 ARG A 578 24.532 -11.865 12.401 1.00 29.00 A N

ATOM 4181 C ARG A 578 17.668 -9.362 13.290 1.00 18.00 A C

ATOM 4182 O ARG A 578 17.370 -9.935 14.338 1.00 15.00 A O

ATOM 4183 N GLY A 579 17 358 -9.838 12.086 1.00 11.09 A N

ATOM 4185 CA GLY A 579 16.856 -11.186 11.889 1.00 9.85 A C

ATOM 4188 C GLY A 579 15.356 -11.344 12.027 1.00 10.26 A C

ATOM 4189 O GLY A 579 14.636 -11.382 11.028 1.00 7.15 A O

ATOM 4190 N PHE A 580 14.903 -11.447 13.276 1.00 9.38 A N

ATOM 4192 CA PHE A 580 13.508 -11.705 13.605 1.00 9.95 A C

ATOM 4194 CB PHE A 580 13.295 -13.192 13.875 1.00 8.49 A C

ATOM 4197 CG PHE A 580 13.000 -13.992 12.656 1.00 6.32 A C

ATOM 4198 CD1 PHE A 580 13.860 -14.995 12.250 1.00 6.71 A C

ATOM 4200 CE1 PHE A 580 13.589 -15.729 11.135 1.00 4.71 A C

ATOM 4202 CZ PHE A 580 12.444 -15.476 10.408 1.00 4.96 A C

ATOM 4204 CE2 PHE A 580 11.585 -14.481 10.800 1.00 3.59 A C

ATOM 4206 CD2 PHE A 580 11.858 -13.752 11.915 1.00 4.31 A C

ATOM 4208 C PHE A 580 13.101 -10.953 14.862 1.00 11.86 A C

ATOM 4209 O PHE A 580 13.898 -10.784 15.785 1.00 11.73 A O

ATOM 4210 N LEU A 581 11.849 -10.516 14.897 1.00 13.32 A N

ATOM 4212 CA LEU A 581 11.273 -9.943 16.104 1.00 14.01 A C

ATOM 4214 CB LEU A 581 10.196 -8.923 15.742 1.00 15.02 A C

ATOM 4217 CG LEU A 581 10.726 -7.726 14.956 1.00 17.15 A C

ATOM 4219 CD1 LEU A 581 9.590 -6.924 14.333 1.00 18.33 A C

ATOM 4223 CD2 LEU A 581 11.572 -6.860 15.861 1.00 16.98 A C

ATOM 4227 C LEU A 581 10.665 -11.044 16.959 1.00 13.48 A C

ATOM 4228 O LEU A 581 10.139 -12.027 16.444 1.00 11.80 A O

ATOM 4229 N ALA A 582 10.733 -10.863 18.271 1.00 13.97 A N

ATOM 4231 CA ALA A 582 10.131 -11.796 19.206 1.00 15.18 A C

ATOM 4233 CB ALA A 582 10.774 -11.643 20.585 1.00 15.59 A C

ATOM 4237 C ALA A 582 8.649 -11.490 19.272 1.00 15.56 A C

ATOM 4238 O ALA A 582 8.250 -10.335 19.161 1.00 17.38 A O

ATOM 4239 N ARG A 583 7.827 -12.517 19.432 1.00 17.29 A N

ATOM 4241 CA ARG A 583 6.396 -12.302 19.625 1.00 18.53 A C

ATOM 4243 CB ARG A 583 5.595 -13.575 19.307 1.00 20.08 A C

ATOM 4246 CG ARG A 583 5.024 -13.600 17.889 1.00 20.70 A C

ATOM 4249 CD ARG A 583 4.096 -14.779 17.602 1.00 22.67 A C

ATOM 4252 NE ARG A 583 3.769 -14.887 16.180 1.00 22.15 A N

ATOM 4254 CZ ARG A 583 4.576 -15.400 15.261 1.00 24.85 A C

ATOM 4255 NH1 ARG A 583 5.769 -15.871 15.606 1.00 25.61 A N

ATOM 4258 NH2 ARG A 583 4.189 -15.452 13.988 1.00 25.82 A N

ATOM 4261 C ARG A 583 6.139 -11.847 21.057 1.00 18.84 A C

ATOM 4262 O ARG A 583 5.246 -11.038 21.307 1.00 19.73 A O

ATOM 4263 N ASN A 584 6.945 -12.354 21.987 1.00 18.23 A N

ATOM 4265 CA ASN A 584 6.788 -12.050 23.400 1.00 19.15 A C

ATOM 4267 CB ASN A 584 6.747 -13.346 24.207 1.00 20.47 A C

ATOM 4270 CG ASN A 584 5.696 -14.310 23.701 1.00 21.29 A C

ATOM 4271 OD1 ASN A 584 4.506 -14.001 23.701 1.00 22.09 A O

ATOM 4272 ND2 ASN A 584 6.130 -15.485 23.258 1.00 22.46 A N

ATOM 4275 C ASN A 584 7.894 -11.148 23.937 1.00 19.12 A C

ATOM 4276 O ASN A 584 9.036 -11.194 23.481 1.00 17.66 A O

ATOM 4277 N LEU A 585 7.541 -10.335 24.923 1.00 19.62 A N

ATOM 4279 CA LEU A 585 8.481 -9.404 25.524 1.00 20.70 A C

ATOM 4281 CB LEU A 585 7.764 -8.518 26.549 1.00 21.01 A C

ATOM 4284 CG LEU A 585 8.590 -7.415 27.218 1.00 21.10 A C

ATOM 4286 CD1 LEU A 585 9.144 -6.463 26.183 1.00 21.70 A C

ATOM 4290 CD2 LEU A 585 7.753 -6.663 28.245 1.00 21.52 A C

ATOM 4294 C LEU A 585 9.615 -10.167 26.197 1.00 19.70 A C

ATOM 4295 O LEU A 585 9.376 -11.146 26.899 1.00 17.65 A O

ATOM 4296 N MET A 586 10.843 -9.717 25.962 1.00 20.87 A N

ATOM 4298 CA MET A 586 12.025 -10.321 26.572 1.00 22.54 A C

ATOM 4300 CB MET A 586 12.958 -10.887 25.495 1.00 23.22 A C

ATOM 4303 CG MET A 586 12.310 -11.876 24.525 1.00 24.38 A C

ATOM 4306 SD MET A 586 11.976 -13.502 25.238 1.00 26.58 A S

ATOM 4307 CE AMET A 586 13.656 -14.153 25.422 0.50 26.69 A C

ATOM 4308 CE BMET A 586 11.160 -14.328 23.863 0.50 26.97 A C

ATOM 4315 C MET A 586 12.781 -9.277 27.398 1.00 21.82 A C

ATOM 4316 O MET A 586 12.580 -8.075 27.229 1.00 21.97 A O

ATOM 4317 N TYR A 587 13.650 -9.739 28.290 1.00 21.30 A N

ATOM 4319 CA TYR A 587 14.512 -8.838 29.039 1.00 21.03 A C

ATOM 4321 CB TYR A 587 13.839 -8.381 30.337 1.00 21.28 A C

ATOM 4324 CG TYR A 587 13.633 -9.448 31.395 1.00 20.66 A C

ATOM 4325 CD1 TYR A 587 14.551 -9.621 32.426 1.00 20.88 A C

ATOM 4327 CE1 TYR A 587 14.351 -10.574 33.414 1.00 20.53 A C

ATOM 4329 CZ TYR A 587 13.218 -11.364 33.382 1.00 20.33 A C

ATOM 4330 OH TYR A 587 13.017 -12.313 34.357 1.00 20.29 A O

ATOM 4332 CE2 TYR A 587 12.284 -11.202 32.378 1.00 19.88 A C

ATOM 4334 CD2 TYR A 587 12.496 -10.248 31.391 1.00 20.58 A C

ATOM 4336 C TYR A 587 15.866 -9.454 29.336 1.00 21.99 A C

ATOM 4337 O TYR A 587 16.042 -10.667 29.254 1.00 21.94 A O

ATOM 4338 N VAL A 588 16.823 -8.599 29.677 1.00 23.07 A N

ATOM 4340 CA VAL A 588 18.166 -9.044 30.010 1.00 23.67 A C

ATOM 4342 CB VAL A 588 19.089 -9.073 28.764 1.00 24.38 A C

ATOM 4344 CG1 VAL A 588 19.201 -7.695 28.116 1.00 24.07 A C

ATOM 4348 CG2 VAL A 588 20.471 -9.615 29.139 1.00 24.55 A C

ATOM 4352 C VAL A 588 18.781 -8.167 31.097 1.00 23.51 A C

ATOM 4353 O VAL A 588 18.730 -6.938 31.029 1.00 22.42 A O

ATOM 4354 N ASP A 589 19.337 -8.821 32.111 1.00 24.42 A N

ATOM 4356 CA ASP A 589 20.066 -8.147 33.175 1.00 25.88 A C

ATOM 4358 CB ASP A 589 20.046 -8.992 34.452 1.00 26.48 A C

ATOM 4361 CG ASP A 589 18.668 -9.052 35.093 1.00 27.65 A C

ATOM 4362 OD1 ASP A 589 17.886 -8.091 34.937 1.00 26.23 A O

ATOM 4363 OD2 ASP A 589 18.275 -10.022 35.770 1.00 29.79 A O

ATOM 4364 C ASP A 589 21.500 -7.916 32.720 1.00 27.01 A C

ATOM 4365 O ASP A 589 22.199 -8.857 32.345 1.00 27.08 A O

ATOM 4366 N ILE A 590 21.930 -6.660 32.741 1.00 28.35 A N

ATOM 4368 CA ILE A 590 23.262 -6.294 32.276 1.00 28.81 A C

ATOM 4370 CB ILE A 590 23.188 -5.714 30.852 1.00 29.50 A C

ATOM 4372 CG1 ILE A 590 22.067 -4.673 30.744 1.00 30.56 A C

ATOM 4375 CD1 ILE A 590 22.047 -3.922 29.418 1.00 31.46 A C

ATOM 4379 CG2 ILE A 590 22.967 -6.833 29.844 1.00 29.86 A C

ATOM 4383 C ILE A 590 23.916 -5.295 33.230 1.00 28.55 A C

ATOM 4384 O ILE A 590 23.246 -4.432 33.782 1.00 29.44 A O

ATOM 4385 N PRO A 591 25.224 -5.428 33.433 1.00 27.59 A N

ATOM 4386 CA PRO A 591 25.966 -4.534 34.326 1.00 26.67 A C

ATOM 4388 CB PRO A 591 27.190 -5.374 34.693 1.00 26.02 A C

ATOM 4391 CG PRO A 591 27.448 -6.184 33.478 1.00 26.03 A C

ATOM 4394 CD PRO A 591 26.098 -6.464 32.854 1.00 26.69 A C

ATOM 4397 C PRO A 591 26.426 -3.249 33.654 1.00 25.58 A C

ATOM 4398 O PRO A 591 26.709 -3.243 32.453 1.00 23.53 A O

ATOM 4399 N ILE A 592 26.517 -2.178 34.434 1.00 25.41 A N

ATOM 4401 CA ILE A 592 27.114 -0.937 33.959 1.00 26.00 A C

ATOM 4403 CB ILE A 592 26.950 0.195 35.000 1.00 27.12 A C

ATOM 4405 CG1 ILE A 592 25.475 0.470 35.282 1.00 26.95 A C

ATOM 4408 CD1 ILE A 592 24.622 0.524 34.042 1.00 28.96 A C

ATOM 4412 CG2 ILE A 592 27.664 1.471 34.527 1.00 27.42 A C

ATOM 4416 C ILE A 592 28.591 -1.178 33.722 1.00 24.84 A C

ATOM 4417 O ILE A 592 29.264 -1.783 34.549 1.00 24.24 A O

ATOM 4418 N VAL A 593 29.091 -0.704 32.589 1.00 24.50 A N

ATOM 4420 CA VAL A 593 30.500 -0.844 32.256 1.00 23.70 A C

ATOM 4422 CB VAL A 593 30.668 -1.279 30.788 1.00 24.19 A C

ATOM 4424 CG1 VAL A 593 32.088 -1.040 30.297 1.00 23.60 A C

ATOM 4428 CG2 VAL A 593 30.279 -2.742 30.637 1.00 24.95 A C

ATOM 4432 C VAL A 593 31.204 0.480 32.501 1.00 23.62 A C

ATOM 4433 O VAL A 593 30.685 1.540 32.164 1.00 23.34 A O

ATOM 4434 N ASP A 594 32.381 0.414 33.110 1.00 24.22 A N

ATOM 4436 CA ASP A 594 33.193 1.598 33.350 1.00 24.93 A C

ATOM 4438 CB ASP A 594 34.642 1.184 33.615 1.00 26.39 A C

ATOM 4441 CG ASP A 594 35.475 2.306 34.191 1.00 27.42 A C

ATOM 4442 OD1 ASP A 594 35.312 2.623 35.388 1.00 29.06 A O

ATOM 4443 OD2 ASP A 594 36.323 2.926 33.520 1.00 28.54 A O

ATOM 4444 C ASP A 594 33.121 2.543 32.151 1.00 24.48 A C

ATOM 4445 O ASP A 594 33.367 2.133 31.015 1.00 22.91 A O

ATOM 4446 N HIS A 595 32.776 3.803 32.408 1.00 23.82 A N

ATOM 4448 CA HIS A 595 32.610 4.789 31.343 1.00 23.92 A C

ATOM 4450 CB HIS A 595 32.151 6.130 31.911 1.00 24.64 A C

ATOM 4453 CG HIS A 595 31.612 7.070 30.876 1.00 24.84 A C

ATOM 4454 ND1 HIS A 595 32.159 8.314 30.644 1.00 24.96 A N

ATOM 4456 CE1 HIS A 595 31.479 8.918 29.685 1.00 25.61 A C

ATOM 4458 NE2 HIS A 595 30.511 8.112 29.288 1.00 23.91 A N

ATOM 4460 CD2 HIS A 595 30.575 6.948 30.015 1.00 24.50 A C

ATOM 4462 C HIS A 595 33.889 5.002 30.555 1.00 23.67 A C

ATOM 4463 O HIS A 595 33.852 5.142 29.336 1.00 22.50 A O

ATOM 4464 N GLN A 596 35..17 5.042 31.257 1.00 24.31 A N

ATOM 4466 CA GLN A 596 36.305 5.262 30.611 1.00 24.84 A C

ATOM 4468 CB GLN A 596 37.410 5.480 31.651 1.00 24.68 A C

ATOM 4471 CG GLN A 596 37.579 6.926 32.087 1.00 24.98 A C

ATOM 4474 CD GLN A 596 38.652 7.100 33.152 1.00 26.13 A C

ATOM 4475 OE1 GLN A 596 39.177 6.118 33.683 1.00 25.64 A O

ATOM 4476 NE2 GLN A 596 38.982 8.351 33.464 1.00 26.44 A N

ATOM 4479 C GLN A 596 36.658 4.094 29.697 1.00 25.49 A C

ATOM 4480 O GLN A 596 37.224 4.295 28.626 1.00 25.95 A O

ATOM 4481 N LYS A 597 36.323 2.878 30.123 1.00 26.56 A N

ATOM 4483 CA LYS A 597 36.553 1.684 29.309 1.00 26.94 A C

ATOM 4485 CB LYS A 597 36.270 0.411 30.119 1.00 27.56 A C

ATOM 4488 CG LYS A 597 36.361 -0.883 29.300 1.00 28.33 A C

ATOM 4491 CD LYS A 597 36.866 -2.057 30.130 1.00 28.05 A C

ATOM 4496 C LYS A 597 35.689 1.690 28.048 1.00 25.65 A C

ATOM 4497 O LYS A 597 36.102 1.219 26.998 1.00 24.63 A O

ATOM 4498 N CYS A 598 34.486 2.230 28.156 1.00 26.28 A N

ATOM 4500 CA CYS A 598 33.559 2.239 27.033 1.00 26.31 A C

ATOM 4502 CB CYS A 598 32.137 2.344 27.561 1.00 27.49 A C

ATOM 4505 SG CYS A 598 30.860 2.608 26.322 1.00 28.32 A S

ATOM 4506 C CYS A 598 33.875 3.384 26.073 1.00 25.00 A C

ATOM 4507 O CYS A 598 33.856 3.213 24.855 1.00 24.52 A O

ATOM 4508 N THR A 599 34.170 4.550 26.632 1.00 24.24 A N

ATOM 4510 CA THR A 599 34.662 5.672 25.853 1.00 25.01 A C

ATOM 4512 CB THR A 599 35.177 6.785 26.796 1.00 25.48 A C

ATOM 4514 OG1 THR A 599 34.081 7.393 27.491 1.00 25.85 A O

ATOM 4516 CG2 THR A 599 35.805 7.937 26.014 1.00 25.56 A C

ATOM 4520 C THR A 599 35.790 5.210 24.931 1.00 25.91 A C

ATOM 4521 O THR A 599 35.710 5.366 23.712 1.00 26.76 A O

ATOM 4522 N ALA A 600 36.826 4.625 25.527 1.00 25.03 A N

ATOM 4524 CA ALA A 600 38.035 4.234 24.802 1.00 25.86 A C

ATOM 4526 CB ALA A 600 39.138 3.864 25.787 1.00 25.41 A C

ATOM 4530 C ALA A 600 37.804 3.087 23.816 1.00 26.01 A C

ATOM 4531 O ALA A 600 38.463 3.015 22.781 1.00 26.46 A O

ATOM 4532 N ALA A 601 36.881 2.192 24.145 1.00 27.00 A N

ATOM 4534 CA ALA A 601 36.545 1.073 23.265 1.00 27.97 A C

ATOM 4536 CB ALA A 601 35.544 0.141 23.948 1.00 27.13 A C

ATOM 4540 C ALA A 601 35.981 1.566 21.932 1.00 28.71 A C

ATOM 4541 O ALA A 601 36.218 0.960 20.886 1.00 29.11 A O

ATOM 4542 N TYR A 602 35.243 2.672 21.976 1.00 29.18 A N

ATOM 4544 CA TYR A 602 34.602 3.227 20.787 1.00 30.11 A C

ATOM 4546 CB TYR A 602 33.232 3.821 21.152 1.00 29.74 A C

ATOM 4549 CG TYR A 602 32.128 2.784 21.209 1.00 30.38 A C

ATOM 4550 CD1 TYR A 602 31.542 2.424 22.418 1.00 30.34 A C

ATOM 4552 CE1 TYR A 602 30.539 1.469 22.468 1.00 30.80 A C

ATOM 4554 CZ TYR A 602 30.117 0.859 21.298 1.00 30.86 A C

ATOM 4555 OH TYR A 602 29.123 -0.090 21.338 1.00 31.29 A O

ATOM 4557 CE2 TYR A 602 30.685 1.199 20.089 1.00 29.96 A C

ATOM 4559 CD2 TYR A 602 31.679 21.55 20.049 1.00 30.03 A C

ATOM 4561 C TYR A 602 35.478 4.280 20.107 1.00 30.97 A C

ATOM 4562 O TYR A 602 34.990 5.079 19.307 1.00 30.83 A O

ATOM 4563 N GLU A 603 36.770 4.275 20.426 1.00 32.68 A N

ATOM 4565 CA GLU A 603 37.723 5.189 19.802 1.00 34.74 A C

ATOM 4567 CB GLU A 603 38.440 6.025 20.866 1.00 35.03 A C

ATOM 4570 CG GLU A 603 37.517 6.917 21.683 1.00 34.89 A C

ATOM 4573 CD GLU A 603 37.900 8.382 21.604 1.00 34.81 A C

ATOM 4574 OE1 GLU A 603 39.009 8.736 22.054 1.00 34.59 A O

ATOM 4575 OE2 GLU A 603 37.088 9.178 21.094 1.00 35.12 A O

ATOM 4576 C GLU A 603 38.760 4.463 18.946 1.00 36.03 A C

ATOM 4577 O GLU A 603 39.469 5.097 18.165 1.00 36.62 A O

ATOM 4578 N LYS A 604 38.859 3.144 19.089 1.00 37.81 A N

ATOM 4580 CA LYS A 604 39.832 2.378 18.311 1.00 39.45 A C

ATOM 4582 CB LYS A 604 40.042 0.977 18.904 1.00 39.48 A C

ATOM 4585 CG LYS A 604 38.792 0.121 19.030 1.00 39.44 A C

ATOM 4588 CD LYS A 604 39.135 -1.299 19.465 1.00 39.22 A C

ATOM 4591 CE LYS A 604 39.441 -1.383 20.954 1.00 38.79 A C

ATOM 4594 NZ LYS A 604 40.571 -2.311 21.233 1.00 39.01 A N

ATOM 4598 C LYS A 604 39.400 2.290 16.848 1.00 41.09 A C

ATOM 4599 O LYS A 604 38 209 2.209 16.562 1.00 41.04 A O

ATOM 4600 N PRO A 605 40.363 2.297 15.926 1.00 43.55 A N

ATOM 4601 CA PRO A 605 40.052 2.384 14.494 1.00 44.97 A C

ATOM 4603 CB PRO A 605 41.418 2.662 13.855 1.00 44.25 A C

ATOM 4606 CG PRO A 605 42.409 2.078 14.797 1.00 43.81 A C

ATOM 4609 CD PRO A 605 41.813 2.195 16.170 1.00 43.52 A C

ATOM 4612 C PRO A 605 39.448 1.093 13.933 1.00 47.06 A C

ATOM 4613 O PRO A 605 39.778 0.009 14.422 1.00 47.28 A O

ATOM 4614 N PRO A 606 38.581 1.202 12.926 1.00 49.10 A N

ATOM 4615 CA PRO A 606 38.173 2.489 12.349 1.00 49.33 A C

ATOM 4617 CB PRO A 606 37.898 2.136 10.882 1.00 49.82 A C

ATOM 4620 CG PRO A 606 37.625 0.623 10.869 1.00 50.02 A C

ATOM 4623 CD PRO A 606 37.919 0.074 12.250 1.00 49.78 A C

ATOM 4626 C PRO A 606 36.908 3.015 13.011 1.00 49.19 A C

ATOM 4627 O PRO A 606 35.843 2.423 12.835 1.00 50.16 A O

ATOM 4628 N TYR A 607 37.026 4.101 13.767 1.00 48.42 A N

ATOM 4630 CA TYR A 607 35.890 4.648 14.500 1.00 48.44 A C

ATOM 4632 CB TYR A 607 35.794 4.012 15.890 1.00 49.25 A C

ATOM 4635 CG TYR A 607 34.917 2.779 15.970 1.00 49.92 A C

ATOM 4636 CD1 TYR A 607 35.399 1.529 15.594 1.00 50.38 A C

ATOM 4638 CE1 TYR A 607 34.603 0.402 15.672 1.00 50.74 A C

ATOM 4640 CZ TYR A 607 33.310 0.512 16.138 1.00 50.77 A C

ATOM 4641 OH TYR A 607 32.515 -0.610 16.219 1.00 51.80 A O

ATOM 4643 CE2 TYR A 607 32.810 1.740 16.523 1.00 50.62 A C

ATOM 4645 CD2 TYR A 607 33.613 2.862 16.441 1.00 50.23 A C

ATOM 4647 C TYR A 607 36.008 6.161 14.655 1.00 47.29 A C

ATOM 4648 O TYR A 607 37.104 6.720 14.584 1.00 46.94 A O

ATOM 4649 N PRO A 608 34.873 6.819 14.870 1.00 46.23 A N

ATOM 4650 CA PRO A 608 34.856 8.254 15.163 1.00 45.62 A C

ATOM 4652 CB PRO A 608 33.430 8.666 14.788 1.00 46.02 A C

ATOM 4655 CG PRO A 608 32.601 7.430 15.023 1.00 46.26 A C

ATOM 4658 CD PRO A 608 33.514 6.246 14.841 1.00 46.14 A C

ATOM 4661 C PRO A 608 35.120 8.527 16.642 1.00 44.27 A C

ATOM 4662 O PRO A 608 34.825 7.676 17.487 1.00 45.29 A O

ATOM 4663 N ARG A 609 35.665 9.700 16.944 1.00 41.87 A N

ATOM 4665 CA ARG A 609 35.932 10.093 18.323 1.00 39.67 A C

ATOM 4667 CB ARG A 609 37.267 10.828 18.412 1.00 39.45 A C

ATOM 4670 CG ARG A 609 38.452 9.971 18.034 1.00 39.37 A C

ATOM 4673 CD ARG A 609 39.781 10.656 18.235 1.00 38.95 A C

ATOM 4676 NE ARG A 609 40.772 10.195 17.272 1.00 39.11 A N

ATOM 4678 CZ ARG A 609 41.958 10.757 17.096 1.00 39.00 A C

ATOM 4679 NH1 ARG A 609 42.315 11.810 17.821 1.00 39.16 A N

ATOM 4682 NH2 ARG A 609 42.796 10.264 16.192 1.00 39.21 A N

ATOM 4685 C ARG A 609 34.818 10.980 18.866 1.00 37.04 A C

ATOM 4686 O ARG A 609 33.978 11.466 18.110 1.00 36.85 A O

ATOM 4687 N GLY A 610 34.821 11.189 20.179 1.00 34.27 A N

ATOM 4689 CA GLY A 610 33.792 11.977 20.833 1.00 32.33 A C

ATOM 4692 C GLY A 610 32.446 11.277 20.824 1.00 30.65 A C

ATOM 4693 O GLY A 610 31.421 11.882 21.139 1.00 31.07 A O

ATOM 4694 N SER A 611 32.453 9.995 20.468 1.00 28.29 A N

ATOM 4696 CA SER A 611 31.225 9.218 20.348 1.00 27.30 A C

ATOM 4698 CB SER A 611 31.532 7.802 19.851 1.00 28.25 A C

ATOM 4701 OG SER A 611 31.083 7.619 18.523 1.00 28.90 A O

ATOM 4703 C SER A 611 30.498 9.134 21.680 1.00 24.40 A C

ATOM 4704 O SER A 611 29.310 9.432 21.760 1.00 22.96 A O

ATOM 4705 N VAL A 612 31.225 8.731 22.719 1.00 21.87 A N

ATOM 4707 CA VAL A 612 30.652 8.550 24.047 1.00 21.14 A C

ATOM 4709 CB VAL A 612 31.257 7.325 24.763 1.00 21.04 A C

ATOM 4711 CG1 VAL A 612 30.459 6.990 26.019 1.00 21.21 A C

ATOM 4715 CG2 VAL A 612 31.312 6.118 23.823 1.00 20.81 A C

ATOM 4719 C VAL A 612 30.860 9.799 24.905 1.00 21.15 A C

ATOM 4720 O VAL A 612 31.993 10.164 25.228 1.00 22.69 A O

ATOM 4721 N THR A 613 29.758 10.445 25.280 1.00 20.48 A N

ATOM 4723 CA THR A 613 29.817 11.691 26.039 1.00 20.34 A C

ATOM 4725 CB THR A 613 28.869 12.739 25.425 1.00 20.35 A C

ATOM 4727 OG1 THR A 613 27.515 12.287 25.532 1.00 17.51 A O

ATOM 4729 CG2 THR A 613 29.092 12.881 23.923 1.00 21.34 A C

ATOM 4733 C THR A 613 29.426 11.468 27.495 1.00 20.44 A C

ATOM 4734 O THR A 613 28.942 10.396 27.866 1.00 19.80 A O

ATOM 4735 N ALA A 614 29.615 12.503 28.306 1.00 19.26 A N

ATOM 4737 CA ALA A 614 29.203 12.477 29.705 1.00 20.04 A C

ATOM 4739 CB ALA A 614 29.707 13.730 30.428 1.00 19.35 A C

ATOM 4743 C ALA A 614 27.677 12.343 29.867 1.00 20.23 A C

ATOM 4744 O ALA A 614 27.198 12.067 30.963 1.00 21.69 A O

ATOM 4745 N ASN A 615 26.930 12.543 28.781 1.00 19.83 A N

ATOM 4747 CA ASN A 615 25.478 12.367 28.781 1.00 19.89 A C

ATOM 4749 CB ASN A 615 24.822 13.310 27.767 1.00 19.21 A C

ATOM 4752 CG ASN A 615 25.129 14.768 28.034 1.00 19.04 A C

ATOM 4753 OD1 ASN A 615 25.046 15.241 29.171 1.00 17.40 A O

ATOM 4754 ND2 ASN A 615 25.479 15.495 26.978 1.00 18.17 A N

ATOM 4757 C ASN A 615 25.043 10.940 28.443 1.00 20.94 A C

ATOM 4758 O ASN A 615 23.889 10.706 28.083 1.00 20.95 A O

ATOM 4759 N MET A 616 25.963 9.990 28.544 1.00 21.65 A N

ATOM 4761 CA MET A 616 25.658 8.603 28.228 1.00 20.40 A C

ATOM 4763 CB MET A 616 26.192 8.234 26.842 1.00 19.16 A C

ATOM 4766 CG MET A 616 25.767 9.159 25.723 1.00 17.93 A C

ATOM 4769 SD MET A 616 26.701 8.814 24.230 1.00 19.33 A S

ATOM 4770 CE MET A 616 26.302 10.253 23.218 1.00 19.31 A C

ATOM 4774 C MET A 616 26.279 7.669 29.253 1.00 22.25 A C

ATOM 4775 O MET A 616 27.276 8.005 29.901 1.00 23.57 A O

ATOM 4776 N LEU A 617 25.675 6.498 29.406 1.00 23.55 A N

ATOM 4778 CA LEU A 617 26.270 5.432 30.195 1.00 25.45 A C

ATOM 4780 CB LEU A 617 25.470 5.186 31.478 1.00 26.94 A C

ATOM 4783 CG LEU A 617 24.048 4.643 31.310 1.00 28.53 A C

ATOM 4785 CD1 LEU A 617 23.848 3.394 32.141 1.00 29.80 A C

ATOM 4789 CD2 LEU A 617 23.037 5.686 31.685 1.00 28.95 A C

ATOM 4793 C LEU A 617 26.331 4.175 29.338 1.00 24.66 A C

ATOM 4794 O LEU A 617 25.632 4.066 28.336 1.00 22.82 A O

ATOM 4795 N CYS A 618 27.174 3.230 29.735 1.00 25.22 A N

ATOM 4797 CA CYS A 618 27.363 2.012 28.967 1.00 25.65 A C

ATOM 4799 CB CYS A 618 28.805 1.935 28.481 1.00 27.31 A C

ATOM 4802 SG CYS A 618 29.322 3.317 27.434 1.00 27.96 A S

ATOM 4803 C CYS A 618 27.037 0.785 29.805 1.00 25.86 A C

ATOM 4804 O CYS A 618 27.386 0.716 30.977 1.00 26.26 A O

ATOM 4805 N ALA A 619 26.357 -0.176 29.194 1.00 26.91 A N

ATOM 4807 CA ALA A 619 26.066 -1.454 29.827 1.00 28.22 A C

ATOM 4809 CB ALA A 619 24.721 -1.403 30.526 1.00 28.63 A C

ATOM 4813 C ALA A 619 26.082 -2.574 28.782 1.00 30.50 A C

ATOM 4814 O ALA A 619 25.891 -2.329 27.594 1.00 29.68 A O

ATOM 4815 N GLY A 620 26.308 -3.803 29.235 1.00 31.93 A N

ATOM 4817 CA GLY A 620 26.350 -4.950 28.346 1.00 32.77 A C

ATOM 4820 C GLY A 620 27.102 -6.110 28.968 1.00 33.50 A C

ATOM 4821 O GLY A 620 27.877 -5.923 29.906 1.00 32.94 A O

ATOM 4822 N LEU A 621 26.865 -7.311 28.450 1.00 35.42 A N

ATOM 4824 CA LEU A 621 27.569 -8.506 28.914 1.00 36.56 A C

ATOM 4826 CB LEU A 621 26.644 -9.728 28.901 1.00 36.27 A C

ATOM 4829 CG LEU A 621 25.442 -9.668 29.851 1.00 36.09 A C

ATOM 4831 CD1 LEU A 621 24.355 -10.652 29.430 1.00 35.77 A C

ATOM 4835 CD2 LEU A 621 25.869 -9.920 31.292 1.00 36.10 A C

ATOM 4839 C LEU A 621 28.781 -8.767 28.036 1.00 38.26 A C

ATOM 4840 O LEU A 621 28.872 -8.256 26.920 1.00 38.37 A O

ATOM 4841 N GLU A 622 29.707 -9.573 28.544 1.00 40.71 A N

ATOM 4843 CA GLU A 622 30.928 -9.900 27.815 1.00 42.45 A C

ATOM 4845 CB GLU A 622 32.117 -9.924 28.779 1.00 43.18 A C

ATOM 4848 CG GLU A 622 32.688 -8.546 29.083 1.00 44.09 A C

ATOM 4851 CD GLU A 622 33.585 -8 020 27.976 1.00 45.02 A C

ATOM 4852 OE1 GLU A 622 34.144 -8.838 27.207 1.00 45.70 A O

ATOM 4853 OE2 GLU A 622 33.737 -6.785 27.877 1.00 46.05 A O

ATOM 4854 C GLU A 622 30.820 -11.237 27.076 1.00 43.71 A C

ATOM 4855 O GLU A 622 31.834 -11.868 26.770 1.00 45.14 A O

ATOM 4856 N SER A 623 29.594 -11.670 26.787 1.00 44.71 A N

ATOM 4858 CA SER A 623 29.390 -12.914 26.048 1.00 45.87 A C

ATOM 4862 C SER A 623 27.967 -13.458 26.160 1.00 46.74 A C

ATOM 4863 O SER A 623 27.768 -14.614 26.529 1.00 46.34 A O

ATOM 4864 N GLY A 624 26.987 -12.618 25.836 1.00 48.01 A N

ATOM 4866 CA GLY A 624 25.590 -13.016 25.844 1.00 49.01 A C

ATOM 4869 C GLY A 624 25.038 -13.023 24.431 1.00 50.41 A C

ATOM 4870 O GLY A 624 24.440 -12.044 23.982 1.00 51.82 A O

ATOM 4871 N GLY A 625 25.244 -14.134 23.729 1.00 51.47 A N

ATOM 4873 CA GLY A 625 24.882 -14.249 22.327 1.00 52.23 A C

ATOM 4876 C GLY A 625 23.445 -13.882 22.000 1.00 53.07 A C

ATOM 4877 O GLY A 625 22.569 -13.924 22.863 1.00 53.77 A O

ATOM 4878 N LYS A 626 23.218 -13.527 20.736 1.00 54.11 A N

ATOM 4880 CA LYS A 626 21.892 -13.174 20.222 1.00 54.54 A C

ATOM 4887 C LYS A 626 20.876 -12.719 21.264 1.00 55.38 A C

ATOM 4888 O LYS A 626 20.690 -11.519 21.480 1.00 54.37 A O

ATOM 4889 N ASP A 627 20.212 -13.688 21.891 1.00 56.42 A N

ATOM 4891 CA ASP A 627 19.175 -13.414 22.884 1.00 57.40 A C

ATOM 4897 C ASP A 627 19.425 -12.146 23.697 1.00 58.03 A C

ATOM 4898 O ASP A 627 18.540 -11.306 23.833 1.00 58.85 A O

ATOM 4899 N SER A 628 20.636 -12.016 24.230 1.00 58.46 A N

ATOM 4901 CA SER A 628 21.000 -10.884 25.075 1.00 58.67 A C

ATOM 4903 CB SER A 628 22.056 -11.316 26.096 1.00 58.77 A C

ATOM 4906 OG SER A 628 23.308 -10.702 25.829 1.00 58.36 A O

ATOM 4908 C SER A 628 21.554 -9.728 24.249 1.00 58.95 A C

ATOM 4909 O SER A 628 22.442 -9.928 23.425 1.00 60.09 A O

ATOM 4910 N CYS A 629 21.037 -8.523 24.472 1.00 58.60 A N

ATOM 4912 CA CYS A 629 21.591 -7.338 23.820 1.00 58.31 A C

ATOM 4914 CB CYS A 629 21.371 -7.407 22.307 1.00 59.40 A C

ATOM 4917 SG CYS A 629 22.930 -7.396 21.383 1.00 60.75 A S

ATOM 4918 C CYS A 629 21.061 -6.016 24.388 1.00 56.22 A C

ATOM 4919 O CYS A 629 20.436 -5.993 25.448 1.00 57.13 A O

ATOM 4920 N ARG A 630 21.328 -4.924 23.673 1.00 53.25 A N

ATOM 4922 CA ARG A 630 21.058 -3.564 24.156 1.00 49.89 A C

ATOM 4924 CB ARG A 630 21.440 -2.529 23.088 1.00 49.82 A C

ATOM 4927 CG ARG A 630 22.753 -2.795 22.368 1.00 50.06 A C

ATOM 4930 CD ARG A 630 23.288 -1.598 21.590 1.00 50.25 A C

ATOM 4933 NE ARG A 630 22.550 -1.340 20.350 1.00 50.58 A N

ATOM 4935 CZ ARG A 630 21.626 -0.392 20.190 1.00 50.97 A C

ATOM 4936 NH1 ARG A 630 21.293 0.409 21.196 1.00 51.03 A N

ATOM 4939 NH2 ARG A 630 21.023 -0.247 19.016 1.00 50.85 A N

ATOM 4942 C ARG A 630 19.605 -3.321 24.572 1.00 46.35 A C

ATOM 4943 O ARG A 630 19.345 -2.819 25.667 1.00 44.68 A O

ATOM 4944 N GLY A 631 18.671 -3.667 23.686 1.00 42.08 A N

ATOM 4946 CA GLY A 631 17.258 -3.382 23.882 1.00 38.42 A C

ATOM 4949 C GLY A 631 16.679 -2.719 22.643 1.00 34.95 A C

ATOM 4950 O GLY A 631 17.391 -2.533 21.658 1.00 35.10 A O

ATOM 4951 N ASP A 632 15.393 -2.375 22.680 1.00 32.43 A N

ATOM 4953 CA ASP A 632 14.757 -1.651 21.578 1.00 29.97 A C

ATOM 4955 CB ASP A 632 13.241 -1.842 21.577 1.00 29.62 A C

ATOM 4958 CG ASP A 632 12.822 -3.290 21.469 1.00 31.00 A C

ATOM 4959 OD1 ASP A 632 13.692 -4.157 21.244 1.00 32.15 A O

ATOM 4960 OD2 ASP A 632 11.630 -3.650 21.598 1.00 30.18 A O

ATOM 4961 C ASP A 632 15.035 -0.156 21.691 1.00 27.80 A C

ATOM 4962 O ASP A 632 14.979 0.407 22.777 1.00 25.65 A O

ATOM 4963 N SER A 633 15.300 0.479 20.556 1.00 25.93 A N

ATOM 4965 CA SER A 633 15.478 1.921 20.495 1.00 26.26 A C

ATOM 4967 CB SER A 633 15.482 2.361 19.031 1.00 28.17 A C

ATOM 4970 OG SER A 633 15.483 3.772 18.929 1.00 33.32 A O

ATOM 4972 C SER A 633 14.373 2.659 21.259 1.00 23.25 A C

ATOM 4973 O SER A 633 13.197 2.485 20.958 1.00 22.97 A O

ATOM 4974 N GLY A 634 14.758 3.466 22.247 1.00 18.24 A N

ATOM 4976 CA GLY A 634 13.814 4.238 23.045 1.00 19.33 A C

ATOM 4979 C GLY A 634 13.420 3.596 24.371 1.00 20.65 A C

ATOM 4980 O GLY A 634 12.829 4.244 25.253 1.00 21.72 A O

ATOM 4981 N GLY A 635 13.740 2.316 24.518 1.00 18.52 A N

ATOM 4983 CA GLY A 635 13.341 1.556 25.680 1.00 18.91 A C

ATOM 4986 C GLY A 635 14.104 1.992 26.907 1.00 20.46 A C

ATOM 4987 O GLY A 635 15.155 2.623 26.803 1.00 20.88 A O

ATOM 4988 N ALA A 636 13.568 1.643 28.070 1.00 19.75 A N

ATOM 4990 CA ALA A 636 14.125 2.066 29.334 1.00 19.28 A C

ATOM 4992 CB ALA A 636 13.004 2.380 30.314 1.00 20.52 A C

ATOM 4996 C ALA A 636 15.034 0.991 29.908 1.00 20.07 A C

ATOM 4997 O ALA A 636 14.678 -0.187 29.924 1.00 17.70 A O

ATOM 4998 N LEU A 637 16.207 1.420 30.377 1.00 21.87 A N

ATOM 5000 CA LEU A 637 17.123 0.581 31.137 1.00 20.47 A C

ATOM 5002 CB LEU A 637 18.572 0.905 30.759 1.00 20.96 A C

ATOM 5005 CG LEU A 637 19.697 0.088 31.414 1.00 21.98 A C

ATOM 5007 CD1 LEU A 637 19.612 -1.373 31.019 1.00 22.80 A C

ATOM 5011 CD2 LEU A 637 21.066 0.645 31.042 1.00 21.46 A C

ATOM 5015 C LEU A 637 16.877 0.882 32.606 1.00 21.55 A C

ATOM 5016 O LEU A 637 17.191 1.972 33.073 1.00 20.73 A O

ATOM 5017 N VAL A 638 16.321 -0.087 33.332 1.00 21.87 A N

ATOM 5019 CA VAL A 638 15.846 0.147 34.695 1.00 20.18 A C

ATOM 5021 CB VAL A 638 14.407 -0.393 34.892 1.00 19.28 A C

ATOM 5023 CG1 VAL A 638 13.438 0.288 33.925 1.00 18.03 A C

ATOM 5027 CG2 VAL A 638 14.357 -1.915 34.737 1.00 18.50 A C

ATOM 5031 C VAL A 638 16.750 -0.439 35.774 1.00 19.86 A C

ATOM 5032 O VAL A 638 17.490 -1.388 35.540 1.00 20.77 A O

ATOM 5033 N PHE A 639 16.670 0.141 36.968 1.00 21.12 A N

ATOM 5035 CA PHE A 639 17.473 -0.283 38.112 1.00 19.13 A C

ATOM 5037 CB PHE A 639 18.645 0.676 38.327 1.00 19.15 A C

ATOM 5040 CG PHE A 639 19.570 0.779 37.145 1.00 18.01 A C

ATOM 5041 CD1 PHE A 639 19.265 1.616 36.089 1.00 16.79 A C

ATOM 5043 CE1 PHE A 639 20.105 1.715 34.997 1.00 16.93 A C

ATOM 5045 CZ PHE A 639 21.260 0.976 34.945 1.00 17.03 A C

ATOM 5047 CE2 PHE A 639 21.589 0.136 35.997 1.00 18.21 A C

ATOM 5049 CD2 PHE A 639 20.743 0.042 37.094 1.00 18.09 A C

ATOM 5051 C PHE A 639 16.609 -0.317 39.360 1.00 20.26 A C

ATOM 5052 O PHE A 639 15.575 0.338 39.423 1.00 18.05 A O

ATOM 5053 N LEU A 640 17.041 -1.071 40.364 1.00 22.34 A N

ATOM 5055 CA LEU A 640 16.261 -1.216 41.581 1.00 23.28 A C

ATOM 5057 CB LEU A 640 16.236 -2.681 42.017 1.11 22.85 A C

ATOM 5060 CG LEU A 640 15.336 -3.031 43.203 1.00 23.18 A C

ATOM 5062 CD1 LEU A 640 13.953 -2.389 43.090 1.00 23.35 A C

ATOM 5066 CD2 LEU A 640 15.215 -4.541 43.343 1.00 23.99 A C

ATOM 5070 C LEU A 640 16.780 -0.345 42.718 1.00 25.12 A C

ATOM 5071 O LEU A 640 17.831 -0.610 43.296 1.00 26.16 A O

ATOM 5072 N ASP A 641 16.036 0.705 43.036 1.00 27.30 A N

ATOM 5074 CA ASP A 641 16.237 1.411 44.289 1.00 28.93 A C

ATOM 5076 CB ASP A 641 15.298 2.612 44.372 1.00 30.10 A C

ATOM 5079 CG ASP A 641 15.752 3.646 45.386 1.00 30.47 A C

ATOM 5080 OD1 ASP A 641 16.145 3.259 46.508 1.00 30.72 A O

ATOM 5081 OD2 ASP A 641 15.740 4.872 45.144 1.00 30.57 A O

ATOM 5082 C ASP A 641 15.935 0.402 45.399 1.00 30.02 A C

ATOM 5083 O ASP A 641 14.788 -0.002 45.579 1.00 29.09 A O

ATOM 5084 N SER A 642 16.969 -0.023 46.120 1.00 31.64 A N

ATOM 5086 CA SER A 642 16.816 -1.067 47.131 1.00 33.16 A C

ATOM 5088 CB SER A 642 18.167 -1.720 47.447 1.00 33.93 A C

ATOM 5091 OG SER A 642 19.228 -0.782 47.383 1.00 33.99 A O

ATOM 5093 C SER A 642 16.174 -0.527 48.409 1.00 34.44 A C

ATOM 5094 O SER A 642 15.491 -1.261 49.125 1.00 35.08 A O

ATOM 5095 N GLU A 643 16.397 0.757 48.686 1.00 35.16 A N

ATOM 5097 CA GLU A 643 15.788 1.424 49.834 1.00 35.10 A C

ATOM 5099 CB GLU A 643 16.381 2.828 50.012 1.00 35.58 A C

ATOM 5102 CG GLU A 643 17.466 2.917 51.073 1.00 35.78 A C

ATOM 5108 C GLU A 643 14.262 1.521 49.697 1.00 34.66 A C

ATOM 5109 O GLU A 643 13.535 1.327 50.673 1.00 33.66 A O

ATOM 5110 N THR A 644 13.785 1 817 48.489 1.00 34.51 A N

ATOM 5112 CA THR A 644 12.347 1.971 48.242 1.00 33.71 A C

ATOM 5114 CB THR A 644 12.070 3.216 47.373 1.00 33.53 A C

ATOM 5116 OG1 THR A 644 12.757 3.101 46.123 1.00 33.94 A O

ATOM 5118 CG2 THR A 644 12.651 4.471 47.996 1.00 34.16 A C

ATOM 5122 C THR A 644 11.725 0.753 47.560 1.00 33.05 A C

ATOM 5123 O THR A 644 10.504 0.668 47.438 1.00 32.92 A O

ATOM 5124 N GLU A 645 12.560 -0.183 47.119 1.00 32.00 A N

ATOM 5126 CA GLU A 645 12.091 -1.332 46.349 1.00 31.73 A C

ATOM 5128 CB GLU A 645 11.245 -2.263 47.220 1.00 32.72 A C

ATOM 5135 C GLU A 645 11.290 -0.884 45.127 1.00 31.56 A C

ATOM 5136 O GLU A 645 10.360 -1.566 44.692 1.00 32.08 A O

ATOM 5137 N ARG A 646 11.668 0.265 44.572 1.00 30.08 A N

ATOM 5139 CA ARG A 646 11.023 0.795 43.384 1.00 28.29 A C

ATOM 5141 CB ARG A 646 10.521 2.214 43.644 1.00 29.35 A C

ATOM 5144 CG ARG A 646 9.415 2.311 44.670 1.00 30.71 A C

ATOM 5147 CD ARG A 646 8.186 1.468 44.347 1.00 31.84 A C

ATOM 5150 NE ARG A 646 7.160 1.573 45.380 1.00 32.62 A N

ATOM 5152 CZ ARG A 646 6.366 2.625 45.561 1.00 33.55 A C

ATOM 5153 NH1 ARG A 646 6.464 3.694 44.777 1.00 33.51 A N

ATOM 5156 NH2 ARG A 646 5.465 2.609 46.540 1.00 33.62 A N

ATOM 5159 C ARG A 646 12.004 0.820 42.221 1.00 25.50 A C

ATOM 5160 O ARG A 646 13.148 1.242 42.374 1.00 22.62 A O

ATOM 5161 N TRP A 647 11.545 0.364 41.061 1.00 24.02 A N

ATOM 5163 CA TRP A 647 12.317 0.471 39.827 1.00 22.66 A C

ATOM 5165 CB TRP A 647 11.800 -0.509 38.776 1.00 22.56 A C

ATOM 5168 CG TRP A 647 12.003 -1.924 39.177 1.00 23.99 A C

ATOM 5169 CD1 TRP A 647 11.143 -2.702 39.889 1.00 25.11 A C

ATOM 5171 NE1 TRP A 647 11.688 -3.947 40.090 1.00 26.43 A N

ATOM 5173 CE2 TRP A 647 12.923 -3.994 39.498 1.00 25.42 A C

ATOM 5174 CD2 TRP A 647 13.156 -2.733 38.918 1.00 24.82 A C

ATOM 5175 CE3 TRP A 647 14.366 -2.521 38.250 1.00 24.96 A C

ATOM 5177 CZ3 TRP A 647 15.279 -3.550 38.183 1.00 24.98 A C

ATOM 5179 CH2 TRP A 647 15.017 -4.790 38.770 1.00 25.53 A C

ATOM 5181 CZ2 TRP A 647 13.845 -5.034 39.427 1.00 25.47 A C

ATOM 5183 C TRP A 647 12.253 1.890 39.281 1.00 21.73 A C

ATOM 5184 O TRP A 647 11.199 2.533 39.297 1.00 18.44 A O

ATOM 5185 N PHE A 648 13.398 2.373 38.812 1.00 21.21 A N

ATOM 5187 CA PHE A 648 13.480 3.663 38.151 1.00 20.91 A C

ATOM 5189 CB PHE A 648 14.125 4.701 39.071 1.00 20.26 A C

ATOM 5192 CG PHE A 648 15.562 4.408 39.414 1.00 20.26 A C

ATOM 5193 CD1 PHE A 648 16.593 4.890 38.618 1.00 20.21 A C

ATOM 5195 CE1 PHE A 648 17.919 4.633 38.939 1.00 19.54 A C

ATOM 5197 CZ PHE A 648 18.226 3.887 40.060 1.00 19.13 A C

ATOM 5199 CE2 PHE A 648 17.211 3.398 40.860 1.00 18.68 A C

ATOM 5201 CD2 PHE A 648 15.886 3.660 40.539 1.00 20.02 A C

ATOM 5203 C PHE A 648 14.284 3.526 36.867 1.00 21.21 A C

ATOM 5204 O PHE A 648 15.139 2.640 36.748 1.00 20.00 A O

ATOM 5205 N VAL A 649 14.007 4.409 35.915 1.00 19.96 A N

ATOM 5207 CA VAL A 649 14.737 4.437 34.656 1.00 20.38 A C

ATOM 5209 CB VAL A 649 13.897 5.078 33.512 1.00 20.02 A C

ATOM 5211 CG1 VAL A 649 13.459 6.507 33.850 1.00 19.46 A C

ATOM 5215 CG2 VAL A 649 14.667 5.040 32.198 1.00 20.71 A C

ATOM 5219 C VAL A 649 16.069 51.68 34.825 1.00 21.68 A C

ATOM 5220 O VAL A 649 16.110 6.310 35.294 1.00 21.54 A O

ATOM 5221 N GLY A 650 17.155 4.487 34.462 1.00 20.72 A N

ATOM 5223 CA GLY A 650 18.485 5.067 34.502 1.00 19.78 A C

ATOM 5226 C GLY A 650 19.038 5.370 33.120 1.00 19.96 A C

ATOM 5227 O GLY A 650 19.834 6.288 32.952 1.00 20.93 A O

ATOM 5228 N GLY A 651 18.625 4.598 32.124 1.00 20.41 A N

ATOM 5230 CA GLY A 651 19.104 4.797 30.769 1.00 18.88 A C

ATOM 5233 C GLY A 651 18.006 4.721 29.728 1.00 17.84 A C

ATOM 5234 O GLY A 651 16.933 4.191 29.995 1.00 16.64 A O

ATOM 5235 N ILE A 652 18.284 5.261 28.540 1.00 19.72 A N

ATOM 5237 CA ILE A 652 17.412 5.105 27.375 1.00 19.93 A C

ATOM 5239 CB ILE A 652 16.828 6.450 26.901 1.00 19.34 A C

ATOM 5241 CG1 ILE A 652 15.899 7.049 27.954 1.00 19.30 A C

ATOM 5244 CD1 ILE A 652 15.774 8.555 27.875 1.00 17.98 A C

ATOM 5248 CG2 ILE A 652 16.057 6.255 25.593 1.00 19.78 A C

ATOM 5252 C ILE A 652 18.213 4.508 26.236 1.00 21.17 A C

ATOM 5253 O ILE A 652 19.207 5.083 25.805 1.00 23.77 A O

ATOM 5254 N VAL A 653 17.763 3.361 25.742 1.00 21.28 A N

ATOM 5256 CA VAL A 653 18.426 2.671 24.648 1.00 19.77 A C

ATOM 5258 CB VAL A 653 17.601 1.457 24.159 1.00 19.57 A C

ATOM 5260 CG1 VAL A 653 18.315 0.756 23.023 1.00 18.31 A C

ATOM 5264 CG2 VAL A 653 17.327 0.471 25.302 1.00 18.06 A C

ATOM 5268 C VAL A 653 18.615 3.637 23.495 1.00 19.61 A C

ATOM 5269 O VAL A 653 17.640 41.34 22.930 1.00 20.10 A O

ATOM 5270 N SER A 654 19.871 3.895 23.143 1.00 18.77 A N

ATOM 5272 CA SER A 654 20.205 4.969 22.214 1.00 18.12 A C

ATOM 5274 CB SER A 654 21.016 6.046 22.940 1.00 16.67 A C

ATOM 5277 OG SER A 654 21.417 7.063 22.045 1.00 17.79 A O

ATOM 5279 C SER A 654 20.959 4.463 20.983 1.00 18.91 A C

ATOM 5280 O SER A 654 20.489 4.637 19.854 1.00 20.44 A O

ATOM 5281 N TRP A 655 22.117 3.842 21.201 1 00 19.25 A N

ATOM 5283 CA TRP A 655 22.925 3.293 20.108 1.00 21.26 A C

ATOM 5285 CB TRP A 655 23.691 4.410 19.390 1.00 21.47 A C

ATOM 5288 CG TRP A 655 24.655 5.163 20.260 1.00 21.76 A C

ATOM 5289 CD1 TRP A 655 24.352 6.123 21.175 1.00 21.70 A C

ATOM 5291 NE1 TRP A 655 25.498 6.592 21.770 1.00 22.18 A N

ATOM 5293 CE2 TRP A 655 26.575 5.937 21.238 1.00 21.85 A C

ATOM 5294 CD2 TRP A 655 26.083 5.029 20.283 1.00 21.99 A C

ATOM 5295 CE3 TRP A 655 26.995 4.224 19.597 1.00 22.19 A C

ATOM 5297 CZ3 TRP A 655 28.338 4.353 19.876 1.00 23.74 A C

ATOM 5299 CH2 TRP A 655 28.793 5.265 20.832 1.00 23.93 A C

ATOM 5301 CZ2 TRP A 655 27.928 6.065 21.522 1.00 22.98 A C

ATOM 5303 C TRP A 655 23.906 2.226 20.587 1.00 23.30 A C

ATOM 5304 O TRP A 655 23.990 1.933 21.769 1.00 24.52 A O

ATOM 5305 N GLY A 656 24.646 1.640 19.657 1.00 28.38 A N

ATOM 5307 CA GLY A 656 25.604 0.606 20.000 1.00 32.37 A C

ATOM 5310 C GLY A 656 25.997 -0.227 18.801 1.00 36.58 A C

ATOM 5311 O GLY A 656 25.436 -0.077 17.719 1.00 37.80 A O

ATOM 5312 N SER A 657 26.969 -1.112 18.998 1.00 41.95 A N

ATOM 5314 CA SER A 657 27.472 -1.955 17.918 1.00 45.36 A C

ATOM 5316 CB SER A 657 28.719 -2.717 18.372 1.00 45 79 A C

ATOM 5319 OG SER A 657 29.532 -3.077 17.266 1.00 46.05 A O

ATOM 5321 C SER A 657 26.412 -2.943 17.442 1.00 48.28 A C

ATOM 5322 O SER A 657 25.517 -3.322 18.200 1.00 47.50 A O

ATOM 5323 N MET A 658 26.527 -3.350 16.180 1.00 52.47 A N

ATOM 5325 CA MET A 658 25.616 -4.327 15.587 1.00 56.31 A C

ATOM 5327 CB MET A 658 25.666 -4.247 14.053 1.00 57.56 A C

ATOM 5330 CG MET A 658 26.933 -4.815 13.424 1.00 58.83 A C

ATOM 5333 SD MET A 658 27.122 -4.368 11.678 1.00 60.85 A S

ATOM 5334 CE MET A 658 28.515 -5.410 11.206 1.00 60.64 A C

ATOM 5338 C MET A 658 25.945 -5.746 16.057 1.00 57.90 A C

ATOM 5339 O MET A 658 25.041 -6.555 16.280 1.00 58.06 A O

ATOM 5340 N ASN A 659 27.236 -6.040 16.206 1.00 59.72 A N

ATOM 5342 CA ASN A 659 27.687 -7.349 16.676 1.00 60.92 A C

ATOM 5344 CB ASN A 659 29.182 -7.530 16.395 1.00 60.64 A C

ATOM 5350 C ASN A 659 27.409 -7.528 18.169 1.00 61.91 A C

ATOM 5351 O ASN A 659 28.220 -7.136 19.010 1.00 62.61 A O

ATOM 5352 N CYS A 660 26.262 -8.129 18.483 1.00 62.56 A N

ATOM 5354 CA CYS A 660 25.799 -8.268 19.866 1.00 62.96 A C

ATOM 5356 CB CYS A 660 24.908 -9.507 20.014 1.00 62.92 A C

ATOM 5359 SG CYS A 660 23.167 -9.161 20.390 1.OO 62.79 A S

ATOM 5360 C CYS A 660 26.953 -8.350 20.861 1.00 63.23 A C

ATOM 5361 O CYS A 660 26.937 -7.682 21.895 1.00 63.06 A O

ATOM 5363 CA GLU A 662 29.968 -9.407 21.750 1.00 29.91 A C

ATOM 5370 C GLU A 662 30.902 -8.652 22.694 1.00 31.26 A C

ATOM 5371 O GLU A 662 30.568 -7.569 23.181 1.00 32.30 A O

ATOM 5372 N ALA A 663 32.075 -9.230 22.941 1.00 31.82 A N

ATOM 5374 CA ALA A 663 33.057 -8.650 23.858 1.00 33.58 A C

ATOM 5376 CB ALA A 663 34.152 -9.676 24.169 1.00 33.76 A C

ATOM 5380 C ALA A 663 33.684 -7.366 23.303 1.00 35.39 A C

ATOM 5381 O ALA A 663 34.228 -7.360 22.196 1.00 36.40 A O

ATOM 5382 N GLY A 664 33.612 -6.288 24.080 1.0O 36.98 A N

ATOM 5384 CA GLY A 664 34.184 -5.010 23.682 1.00 37.80 A C

ATOM 5387 C GLY A 664 33.185 -4.099 22.987 1.00 38.17 A C

ATOM 5388 O GLY A 664 33.515 -2.977 22.599 1.00 37.78 A O

ATOM 5389 N GLN A 665 31.956 -4.582 22.836 1.00 38.54 A N

ATOM 5391 CA GLN A 665 30.919 -3.848 22.121 1.00 38.67 A C

ATOM 5393 CB GLN A 665 30.630 -4.513 20.773 1.00 40.68 A C

ATOM 5396 CG GLN A 665 31.636 -4.130 19.686 1.00 42.35 A C

ATOM 5399 CD GLN A 665 31.805 -5.200 18.621 1.00 44.08 A C

ATOM 5400 OE1 GLN A 665 31.474 -4.975 17.454 1.00 45.37 A O

ATOM 5401 NE2 GLN A 665 32.329 -6.360 19.013 1.00 45.12 A N

ATOM 5404 C GLN A 665 29.665 -3.780 22.978 1.00 36.70 A C

ATOM 5405 0 GLN A 665 28.807 -4.660 22.926 1.00 38.47 A O

ATOM 5406 N TYR A 666 29.574 -2.718 23.769 1.00 33.68 A N

ATOM 5408 CA TYR A 666 28.501 -2.564 24.732 1.00 31.60 A C

ATOM 5410 CB TYR A 666 29.032 -2.005 26.057 1.00 32.97 A C

ATOM 5413 CG TYR A 666 30.459 -2.388 26.399 1.00 33.02 A C

ATOM 5414 CD1 TYR A 666 31.525 -1.583 26.017 1.00 33.59 A C

ATOM 5416 CE1 TYR A 666 32.831 -1.922 26.337 1.00 34.43 A C

ATOM 5419 OH TYR A 666 34.378 -3.416 27.371 1.00 36.21 A O

ATOM 5421 CE2 TYR A 666 32.036 -3.889 27.451 1.00 34.02 A C

ATOM 5423 CD2 TYR A 666 30.735 -3.541 27.125 1.00 33.75 A C

ATOM 5425 C TYR A 666 27.444 -1.626 24.180 1.00 27.86 A C

ATOM 5426 O TYR A 666 27.696 -0.874 23.242 1.00 26.43 A O

ATOM 5427 N GLY A 667 26.254 -1.689 24.760 1.00 24.30 A N

ATOM 5429 CA GLY A 667 25.199 -0.755 24.427 1.00 24.10 A C

ATOM 5432 C GLY A 667 25.434 0.602 25.068 1.00 23.27 A C

ATOM 5433 0 GLY A 667 25 990 O.703 26.160 1.00 21 96 A O

ATOM 5434 N VAL A 668 25.007 1.655 24.384 1.00 22.39 A N

ATOM 5436 CA VAL A 668 25.122 2.999 24.920 1.00 21.53 A C

ATOM 5438 CB VAL A 668 25.969 3.906 24.017 1.00 21.52 A C

ATOM 5440 CG1 VAL A 668 26.378 5.157 24.777 1.00 21.96 A C

ATOM 5444 CG2 VAL A 668 27.199 3.157 23.512 1.00 21.21 A C

ATOM 5448 C VAL A 668 23.735 3.595 25.111 1.00 21.69 A C

ATOM 5449 O VAL A 668 22.875 3.500 24.226 1.00 18.19 A O

ATOM 5450 N TYR A 669 23.541 4.209 26.277 1.00 20.78 A N

ATOM 5452 CA TYR A 669 22.241 4.681 26.723 1.00 21.61 A C

ATOM 5454 CB TYR A 669 21.766 3.844 27.912 1.00 22.39 A C

ATOM 5457 CG TYR A 669 21.711 2.362 27.638 1.00 22.57 A C

ATOM 5458 CD1 TYR A 669 22.864 1.596 27.621 1.00 23.10 A C

ATOM 5460 CE1 TYR A 669 22.813 0.242 27.370 1.00 22.68 A C

ATOM 5462 CZ TYR A 669 21.602 -0.356 27.142 1.00 21.57 A C

ATOM 5463 OH TYR A 669 21.530 -1.698 26.892 1.00 23.07 A O

ATOM 5465 CE2 TYR A 669 20.448 0.383 27.160 1.00 22.98 A C

ATOM 5467 CD2 TYR A 669 20.505 1.729 27.409 1.00 22.78 A C

ATOM 5469 C TYR A 669 22.292 6.138 27.161 1.00 21.84 A C

ATOM 5470 O TYR A 669 23.272 6.590 27.753 1.00 19.45 A O

ATOM 5471 N THR A 670 21.222 6.870 26.884 1.00 20.93 A N

ATOM 5473 CA THR A 670 21.126 8.241 27.343 1.00 20.70 A C

ATOM 5475 CB THR A 670 19.877 8.889 26.752 1.00 20.61 A C

ATOM 5477 OG1 THR A 670 19.975 8.894 25.319 1.00 20.64 A O

ATOM 5479 CG2 THR A 670 19.787 10.363 27.143 1.00 21.44 A C

ATOM 5483 C THR A 670 21.069 8.239 28.862 1.00 20.49 A C

ATOM 5484 O THR A 670 20.253 7.530 29.448 1.00 21.71 A O

ATOM 5485 N LYS A 671 21.949 9.010 29.496 1.00 20.13 A N

ATOM 5487 CA LYS A 671 21.990 9.107 30.956 1.00 21.09 A C

ATOM 5489 CB LYS A 671 23.330 9.672 31.425 1.00 23.13 A C

ATOM 5492 CG LYS A 671 23.677 9.314 32.862 1.00 24.98 A C

ATOM 5495 CD LYS A 671 25.091 9.771 33.226 1.00 26.56 A C

ATOM 5498 CE LYS A 671 25.350 9.648 34.727 1.00 27.42 A C

ATOM 5501 NZ LYS A 671 25.784 10.940 35.336 1.00 28.37 A N

ATOM 5505 C LYS A 671 20.858 9.983 31.466 1.00 20.07 A C

ATOM 5506 O LYS A 671 20.977 11.205 31.526 1.00 17.32 A O

ATOM 5507 N VAL A 672 19.766 9.329 31.841 1.00 21.33 A N

ATOM 5509 CA VAL A 672 18.514 9.994 32.186 1.00 21.02 A C

ATOM 5511 CB VAL A 672 17.442 8.950 32.580 1.00 20.93 A C

ATOM 5513 CG1 VAL A 672 16.192 9.624 33.144 1.00 21.48 A C

ATOM 5517 CG2 VAL A 672 17.087 8.083 31.384 1.00 21.86 A C

ATOM 5521 C VAL A 672 18.656 11.023 33.304 1.00 20.57 A C

ATOM 5522 O VAL A 672 17.998 12.057 33.277 1.00 19.09 A O

ATOM 5523 N ILE A 673 19.510 10.747 34.284 1.00 21.10 A N

ATOM 5525 CA ILE A 673 19.624 11.616 35.456 1.00 21.54 A C

ATOM 5527 CB ILE A 673 20.542 10.975 36.527 1.00 22.34 A C

ATOM 5529 CG1 ILE A 673 20.267 11.602 37.895 1.00 24.03 A C

ATOM 5532 CD1 ILE A 673 20.949 10.892 39.048 1.00 24.86 A C

ATOM 5536 CG2 ILE A 673 22.008 11.116 36.141 1.00 21.93 A C

ATOM 5540 C ILE A 673 20.104 13.027 35.106 1.00 22.49 A C

ATOM 5541 O ILE A 673 19.802 13.985 35.823 1.00 23.56 A O

ATOM 5542 N ASN A 674 20.848 13.157 34.010 1.00 22.41 A N

ATOM 5544 CA ASN A 674 21.318 14.465 33.545 1.00 21.77 A C

ATOM 5546 CB ASN A 674 22.400 14.284 32.478 1.00 21.42 A C

ATOM 5549 CG ASN A 674 23.708 13.776 33.049 1.00 22.03 A C

ATOM 5550 OD1 ASN A 674 23.799 13.428 34.230 1.00 23.24 A O

ATOM 5551 ND2 ASN A 674 24.736 13.746 32.212 1.00 21.44 A N

ATOM 5554 C ASN A 674 20.198 15.335 32.971 1.00 21.65 A C

ATOM 5555 O ASN A 674 20.388 16.532 32.747 1.00 22.21 A O

ATOM 5556 N TYR A 675 19.034 14.735 32.738 1.00 21.67 A N

ATOM 5558 CA TYR A 675 17.940 15.405 32.037 1.00 21.22 A C

ATOM 5560 CB TYR A 675 17.570 14.605 30.793 1.00 20.22 A C

ATOM 5563 CG TYR A 675 18.712 14.547 29.819 1.00 20.89 A C

ATOM 5564 CD1 TYR A 675 19.546 13.438 29.758 1.00 20.09 A C

ATOM 5566 CE1 TYR A 675 20.605 13.397 28.879 1.00 20.10 A C

ATOM 5568 CZ TYR A 675 20.846 14.476 28.059 1.00 19.73 A C

ATOM 5569 OH TYR A 675 21.901 14.459 27.177 1.00 20.78 A O

ATOM 5571 CE2 TYR A 675 20.039 15.592 28.118 1.00 20.86 A C

ATOM 5573 CD2 TYR A 675 18.990 15.626 28.996 1.00 19.60 A C

ATOM 5575 C TYR A 675 16.708 15.610 32.903 1.00 21.75 A C

ATOM 5576 O TYR A 675 15.640 15.935 32.392 1.00 22.59 A O

ATOM 5577 N ILE A 676 16.856 15.441 34.212 1.00 21.73 A N

ATOM 5579 CA ILE A 676 15.721 15.559 35.124 1.00 21.78 A C

ATOM 5581 CB ILE A 676 16.124 15.143 36.555 1.00 21.64 A C

ATOM 5583 CG1 ILE A 676 16.365 13.633 36.610 1.00 21.78 A C

ATOM 5586 CD1 ILE A 676 15.198 12.789 36.097 1.00 23.13 A C

ATOM 5590 CG2 ILE A 676 15.054 15.569 37.570 1.00 21.22 A C

ATOM 5594 C ILE A 676 15.088 16.950 35.118 1.0 20.55 A C

ATOM 5595 O ILE A 676 13.870 17.050 35.092 1.00 20.08 A O

ATOM 5596 N PRO A 677 15.888 18.016 35.142 1.00 19.21 A N

ATOM 5597 CA PRO A 677 15.335 19.369 35.012 1.00 19.47 A C

ATOM 5599 CB PRO A 677 16.559 20.285 35.203 1.00 19.50 A C

ATOM 5602 CG PRO A 677 17.610 19.425 35.828 1.00 19.63 A C

ATOM 5605 CD PRO A 677 17.352 18.036 35.306 1.00 20.04 A C

ATOM 5608 C PRO A 677 14.687 19.599 33.645 1.00 18.95 A C

ATOM 5609 O PRO A 677 13.693 20.308 33.559 1.00 18.18 A O

ATOM 5610 N TRP A 678 15.237 19.009 32.592 1.00 19.26 A N

ATOM 5612 CA TRP A 678 14.620 19.110 31.271 1.00 21.50 A C

ATOM 5614 CB TRP A 678 15.531 18.509 30.192 1.00 21.67 A C

ATOM 5617 CG TRP A 678 14.956 18.635 28.814 1.00 21.20 A C

ATOM 5618 CD1 TRP A 678 15.015 19.725 27.995 1.00 20.34 A C

ATOM 5620 NE1 TRP A 678 14.365 19.464 26.812 1.00 21.21 A N

ATOM 5622 CE2 TRP A 678 13.865 18.187 26.852 1.00 20.70 A C

ATOM 5623 CD2 TRP A 678 14.218 17.637 28.099 1.00 20.94 A C

ATOM 5624 CE3 TRP A 678 13.822 16.324 28.385 1.00 20.03 A C

ATOM 5626 CZ3 TRP A 678 13.102 15.623 27.440 1.00 19.08 A C

ATOM 5628 CH2 TRP A 678 12.764 16.200 26.215 1.00 19.50 A C

ATOM 5630 CZ2 TRP A 678 13.137 17.476 25.900 1.00 20.60 A C

ATOM 5632 C TRP A 678 13.250 18.418 31.253 1.00 22.26 A C

ATOM 5633 O TRP A 678 12.295 18.931 30.665 1.00 22.98 A O

ATOM 5634 N ILE A 679 13.152 17.272 31.919 1.00 22.04 A N

ATOM 5636 CA ILE A 679 11.906 16.512 31.960 1.00 23.55 A C

ATOM 5638 CB ILE A 679 12.167 15.064 32.450 1.00 22.63 A C

ATOM 5640 CG1 ILE A 679 12.988 14.293 31.412 1.00 21.52 A C

ATOM 5643 CD1 ILE A 679 13.600 13.006 31.924 1.00 21.09 A C

ATOM 5647 CG2 ILE A 679 10.844 14.353 32.733 1.00 22.49 A C

ATOM 5651 C ILE A 679 10.884 17.202 32.866 1.00 25.71 A C

ATOM 5652 O ILE A 679 9.733 17.392 32.486 1.00 26.39 A O

ATOM 5653 N GLU A 680 11.320 17.567 34.065 1.00 28.81 A N

ATOM 5655 CA GLU A 680 10.485 18.284 35.027 1.00 30.64 A C

ATOM 5657 CB GLU A 680 11.313 18.665 36.263 1.00 32.48 A C

ATOM 5660 CG GLU A 680 11.525 17.534 37.261 1.00 34.64 A C

ATOM 5663 CD GLU A 680 12.003 18.023 38.623 1.00 37.36 A C

ATOM 5664 OE1 GLU A 680 12.628 19.111 38.694 1.00 38.24 A O

ATOM 5665 OE2 GLU A 680 11.753 17.316 39.628 1.00 38.57 A O

ATOM 5666 C GLU A 680 9.891 19.551 34.420 1.00 30.60 A C

ATOM 5667 O GLU A 680 8.734 19.890 34.668 1.00 30.42 A O

ATOM 5668 N ASN A 681 10.695 20.253 33.631 1.00 29.79 A N

ATOM 5670 CA ASN A 681 10.286 21.530 33.061 1.00 29.01 A C

ATOM 5672 CB ASN A 681 11.493 22.223 32.422 1.00 28.23 A C

ATOM 5675 CG ASN A 681 11.134 23.544 31.781 1.00 28.20 A C

ATOM 5676 OD1 ASN A 681 11.155 23.679 30.559 1.00 27.71 A O

ATOM 5677 ND2 ASN A 681 10.804 24.530 32.605 1.00 28.39 A N

ATOM 5680 C ASN A 681 9.164 21.380 32.034 1.00 28.56 A C

ATOM 5681 O ASN A 681 8.322 22.260 31.901 1.00 28.82 A O

ATOM 5682 N ILE A 682 9.154 20.269 31.306 1.00 29.02 A N

ATOM 5684 CA ILE A 682 8.136 20.049 30.284 1.00 29.54 A C

ATOM 5686 CB ILE A 682 8.659 19.083 29.196 1.00 29.67 A C

ATOM 5688 CG1 ILE A 682 9.466 19.862 28.152 1.00 29.30 A C

ATOM 5691 CD1 ILE A 682 10.622 19.090 27.572 1.00 28.45 A C

ATOM 5695 CG2 ILE A 682 7.509 18.345 28.515 1.00 29.39 A C

ATOM 5699 C ILE A 682 6.845 19.524 30.910 1.00 29.90 A C

ATOM 5700 O ILE A 682 5.752 19.988 30.580 1.00 28.51 A O

ATOM 5701 N ILE A 683 6.981 18.572 31.827 1.00 29.72 A N

ATOM 5703 CA ILE A 683 5.827 17.927 32.438 1.00 31.27 A C

ATOM 5705 CB ILE A 683 6.268 16.632 33.167 1.00 30.51 A C

ATOM 5707 CG1 ILE A 683 6.478 15.514 32.136 1.00 29.73 A C

ATOM 5710 CD1 ILE A 683 7.238 14.309 32.638 1.00 28.68 A C

ATOM 5714 CG2 ILE A 683 5.238 16.207 34.206 1.00 31.18 A C

ATOM 5718 C ILE A 683 5.063 18.882 33.363 1.00 33.98 A C

ATOM 5719 O ILE A 683 3.867 18.694 33.600 1.00 33.58 A O

ATOM 5720 N SER A 684 5.746 19.924 33.844 1.00 37.50 A N

ATOM 5722 CA SER A 684 5.136 20.930 34.726 1.00 39.42 A C

ATOM 5724 CB SER A 684 6.218 21.696 35.499 1.00 39.96 A C

ATOM 5727 OG SER A 684 6.695 22.816 34.762 1.00 40.20 A O

ATOM 5729 C SER A 684 4.247 21.932 33.981 1.00 41.40 A C

ATOM 5730 O SER A 684 3.448 22.637 34.602 1.00 40.80 A O

ATOM 5731 N ASP A 685 4.395 22.001 32.660 1.00 44.27 A N

ATOM 5733 CA ASP A 685 3.580 22.892 31.843 1.00 46.55 A C

ATOM 5735 CB ASP A 685 4.368 23.375 30.625 1.00 47.27 A C

ATOM 5738 CG ASP A 685 3.569 24.342 29.761 1.00 48.50 A C

ATOM 5739 OD1 ASP A 685 2.994 25.311 30.312 1.00 48.07 A O

ATOM 5740 OD2 ASP A 685 3.451 24.207 28.525 1.00 49.46 A O

ATOM 5741 C ASP A 685 2.299 22.219 31.366 1.00 48.70 A C

ATOM 5742 O ASP A 685 1.607 22.740 30.491 1.00 50.39 A O

ATOM 5743 N PHE A 686 1.982 21.063 31.936 1.00 50.20 A N

ATOM 5745 CA PHE A 686 0.819 20.301 31.505 1.00 51.18 A C

ATOM 5747 CB PHE A 686 1.228 19.252 30.460 1.00 51.10 A C

ATOM 5750 CG PHE A 686 1.588 19.836 29.111 1.00 50.83 A C

ATOM 5751 CD1 PHE A 686 2.902 20.164 28.808 1.00 50.72 A C

ATOM 5753 CE1 PHE A 686 3.236 20.698 27.572 1.00 50.56 A C

ATOM 5755 CZ PHE A 686 2.253 20.908 26.620 1.00 50.87 A C

ATOM 5757 CE2 PHE A 686 0.940 20.585 26.907 1.00 51.24 A C

ATOM 5759 CD2 PHE A 686 0.612 20.051 28.147 1.00 51.24 A C

ATOM 5761 C PHE A 686 0.154 19.634 32.707 1.00 51.99 A C

ATOM 5762 O PHE A 686 -0.206 20.303 33.681 1.00 52.02 A O

ATOM 5763 O HOH W 1 10.827 0.500 28.290 1.00 22.74 W O

ATOM 5766 O HOH W 2 5.884 -7.358 31.557 1.00 42.82 W O

ATOM 5769 O HOH W 3 22.707 14.421 19.024 1.00 31.70 W O

ATOM 5772 O HOH W 4 23.042 11.469 25.624 1.00 31.46 W O

ATOM 5775 O HOH W 5 -7.116 1.998 41.222 1.00 44.45 W O

ATOM 5778 O HOH W 6 -12.241 10.146 50.898 1.00 49.08 W O

ATOM 5781 O HOH W 7 -13.615 32.084 54.017 1.00 42.35 W O

ATOM 5784 O HOH W 8 8.997 -14.942 21.285 1.00 39.38 W O

ATOM 5787 O HOH W 9 -26.767 22.939 49.863 1.00 54.99 W O

ATOM 5790 O HOH W 10 2.751 -1.635 29.514 1.00 29.52 W O

ATOM 5793 O HOH W 11 12.212 -1.642 30.786 1.00 26.03 W O

ATOM 5796 O HOH W 12 -4.821 7.046 35.617 1.00 34.24 W O

ATOM 5799 O HOH W 13 27.147 13.239 19.717 1.00 42.59 W O

ATOM 5802 O HOH W 14 -23.400 30.766 46.659 1.00 40.61 W O

ATOM 5805 O HOH W 15 18.479 18.706 32.212 1.00 31.26 W O

ATOM 5808 O HOH W 16 12.379 5.37 27.898 1.00 33.97 W O

ATOM 5811 O HOH W 17 19.475 -11.875 32.502 1.00 36.43 W O

ATOM 5814 O HOH W 18 20.808 8.259 34.485 1.00 33.10 W O

ATOM 5817 O HOH W 19 2.393 -5.456 31.372 1.00 48.96 W O

ATOM 5820 O HOH W 20 27.419 9.590 19.562 1.00 36.68 W O

ATOM 5823 O HOH W 21 29.285 3.931 32.002 1.00 41.47 W O

ATOM 5826 O HOH W 22 -21.64 19.402 52.917 1.00 50.60 W O

ATOM 5829 O HOH W 23 10.694 -6.416 41.787 1.00 44.59 W O

ATOM 5832 O HOH W 24 -8.310 4.913 37.559 1.00 43.34 W O

ATOM 5835 O HOH W 25 4.063 8.654 41.947 1.00 51.22 W O

ATOM 5838 O HOH W 26 -26.949 16.266 55.630 1.00 41.38 W O

ATOM 5841 O HOH W 27 12.661 5.699 43.556 1.00 49.05 W O

ATOM 5844 O HOH W 28 4.444 -5.433 29.821 1.00 41.98 W O

ATOM 5847 O HOH W 29 -19.316 22.926 43.164 1.00 36.17 W O

ATOM 5850 O HOH W 30 -23.869 18.468 59.175 1.00 48.53 W O

ATOM 5853 O HOH W 31 -3.160 8.943 48.890 1.00 35.04 W O

ATOM 5856 O HOH W 32 -6.873 12.531 39.504 1.00 36.49 W O

ATOM 5859 O HOH W 33 1.365 -7.262 31.201 1.00 47.56 W O

ATOM 5862 O HOH W 34 -5.477 9.241 49.385 1.00 38.08 W O

ATOM 5865 O HOH W 35 34.473 7.984 22.822 1.O0 55.50 W O

ATOM 5868 O HOH W 36 -19.636 11.028 52.320 1.00 36.15 W O

ATOM 5871 O HOH W 37 18.396 -5.102 11.759 1.00 43.68 W O

ATOM 5874 O HOH W 38 21.662 0.825 24.213 1.00 42.51 W O

ATOM 5877 O HOH W 39 -11.403 27.636 56.628 1.00 56.36 W O

ATOM 5880 O HOH W 40 22.557 9.016 24.136 1.00 38.24 W O

ATOM 5883 O HOH W 41 34.710 8.641 31.192 1.00 57.34 W O

ATOM 5886 O HOH W 42 1.866 -2.969 38.464 1.00 45.11 W O

ATOM 5889 O HOH W 43 22.318 -11.599 32.742 1.00 55.96 W O

ATOM 5892 O HOH W 44 3.313 -5.008 38.209 1.00 39.87 W O

ATOM 5895 O HOH W 45 9.078 2.934 10.986 1.00 73.29 W O

ATOM 5898 O HOH W 46 -4.445 7.504 26.411 1.00 41.31 W O

ATOM 5901 O HOH W 47 -6.103 20.306 52.071 1.00 59.53 W O

ATOM 5904 O HOH W 48 -6.844 2.782 29.791 1.00 62.68 W O

ATOM 5907 O HOH W 49 -36.649 47.354 52.038 1.00 70.50 W O

ATOM 5910 O HOH W 50 18.990 2.073 19.547 1.00 49.74 W O

ATOM 5913 O HOH W 51 -4.523 9.091 24.572 1.00 41.37 W O

ATOM 5916 O HOH W 52 20.309 3.677 17.300 1.00 42.84 W O

ATOM 5919 O HOH W 53 -26.183 31.540 48.651 1.00 41.62 W O

ATOM 5922 O HOH W 54 -0.495 12.423 37.247 1.00 50.55 W O

ATOM 5925 O HOH W 55 -7.603 0.235 24.350 1.00 54.02 W O

ATOM 5928 O HOH W 56 17.478 -10.793 17.152 1.00 38.86 W O

ATOM 5931 O HOH W 57 -21.918 51.608 54.663 1.00 59.19 W O

ATOM 5934 O HOH W 58 -7.637 0.355 29.035 1.00 47.01 W O

ATOM 5937 O HOH W 59 38.581 -0.291 26.583 1.00 44.88 W O

ATOM 5940 O HOH W 60 -26.560 53.964 53.076 1.00 51.47 W O

ATOM 5943 O HOH W 61 2.568 -6.391 40.080 1.00 48.05 W O

ATOM 5946 O HOH W 62 1.844 14.686 35.182 1.00 49.40 W O

ATOM 5949 O HOH W 63 -24.572 17.799 47.233 1.00 57.61 W O

ATOM 5952 O HOH W 64 -16.687 12.954 60.039 1.00 47.70 W O

ATOM 5955 O HOH W 65 -27.437 28.418 50.497 1.00 53.64 W O

ATOM 5958 O HOH W 66 -3.297 14.011 29.301 1.00 55.52 W O

ATOM 5961 O HOH W 67 -22.497 25.011 56.219 1.00 45.03 W O

ATOM 5964 O HOH W 68 -21.371 23.317 58.233 1.00 52.56 W O

ATOM 5967 O HOH W 69 14.748 -1.306 27.433 1.00 43.87 W O

ATOM 5970 O HOH W 70 1.288 16.470 33.431 1.00 52.49 W O

ATOM 5973 O HOH W 71 5.781 -8.921 12.300 1.00 34.80 W O

ATOM 5976 O HOH W 72 -10.289 21.693 39.394 1.00 32.87 W O

ATOM 5979 O HOH W 73 -5.953 5.680 27.181 1.00 60.97 W O

ATOM 5982 O HOH W 74 -21.059 32.494 45.656 1.00 64.63 W O

ATOM 5985 O HOH W 75 -22.928 40.097 50.573 1.00 54.43 W O

ATOM 5988 O HOH W 76 5.606 -4.542 16.009 1.00 42.16 W O

ATOM 5991 O HOH W 77 -14.770 23.967 58.858 1.00 46.13 W O

ATOM 5994 O HOH W 78 -12.265 20.717 38.846 1.00 43.05 W O

ATOM 5997 O HOH W 79 16.510 18.658 18.272 1.00 42.48 W O

ATOM 6000 O HOH W 80 2.758 22.520 48.732 1.00 44.32 W O

ATOM 6003 O HOH W 81 10.100 18.920 19.194 1.00 56.20 W O

ATOM 6006 O HOH W 82 6.134 8.615 37.541 1.00 53.12 W O

ATOM 6009 O HOH W 83 16.151 -7.913 24.380 1.00 50.88 W O

ATOM 6012 O HOH W 84 -25.578 21.997 51.365 1.00 35.63 W O

END

序列表

<110>内蒂穆恩公司(NatImmune)

<120>MASP-2晶体结构及其用途

<130>P 822 PC00

<160>1

<170>PatentIn version 3.1

<210>1

<211>686

<212>PRT

<213>人(Homo Sapiens)

<400>3

Met Arg Leu Leu Thr Leu Leu Gly Leu Leu Cys Gly Ser Val Ala Thr

l 5 10 15

Pro Leu Gly Pro Lys Trp Pro Glu Pro Val Phe Gly Arg Leu Ala Ser

20 25 30

Pro Gly Phe Pro Gly Glu Tyr Ala Asn Asp Gln Glu Arg Arg Trp Thr

35 40 45

Leu Thr Ala Pro Pro Gly Tyr Arg Leu Arg Leu Tyr Phe Thr His Phe

50 55 60

Asp Leu Glu Leu Ser His Leu Cys Glu Tyr Asp Phe Val Lys Leu Ser

65 70 75 80

Ser Gly Ala Lys Val Leu Ala Thr Leu Cys Gly Gln Glu Ser Thr Asp

85 90 95

Thr Glu Arg Ala Pro Gly Lys Asp Thr Phe Tyr Ser Leu Gly Ser Ser

100 105 110

Leu Asp Ile Thr Phe Arg Ser Asp Tyr Ser Asn Glu Lys Pro Phe Thr

115 120 125

Gly Phe Glu Ala Phe Tyr Ala Ala Glu Asp Ile Asp Glu Cys Gln Val

130 135 140

Ala Pro Gly Glu Ala Pro Thr Cys Asp His His Cys His Asn His Leu

145 150 155 160

Gly Gly Phe Tyr Cys Ser Cys Arg Ala Gly Tyr Val Leu His Arg Asn

165 170 175

Lys Arg Thr Cys Ser Ala Leu Cys Ser Gly Gln Val Phe Thr Gln Arg

180 185 190

Ser Gly Glu Leu Ser Ser Pro Glu Tyr Pro Arg Pro Tyr Pro Lys Leu

195 200 205

Ser Ser Cys Thr Tyr Ser Ile Ser Leu Glu Glu Gly phe Ser Val Ile

210 215 220

Leu Asp Phe Val Glu Ser Phe Asp Val Glu Thr His Pro Glu Thr Leu

225 230 235 240

Cys Pro Tyr Asp Phe Leu Lys Ile Gln Thr Asp Arg Glu Glu His Gly

245 250 255

Pro Phe Cys Gly Lys Thr Leu Pro His Arg Ile Glu Thr Lys Ser Asn

260 265 270

Thr Val Thr Ile Thr Phe Val Thr Asp Glu Ser Gly Asp His Thr Gly

275 280 285

Trp Lys Ile His Tyr Thr Ser Thr Ala His Ala Cys Pro Tyr Pro Met

290 295 300

Ala Pro Pro Asn Gly His Val Ser Pro Val Gln Ala Lys Tyr Ile Leu

305 310 315 320

Lys Asp Ser Phe Ser Ile Phe Cys Glu Thr Gly Tyr Glu Leu Leu Gln

325 330 335

Gly His Leu Pro Leu Lys Ser Phe Thr Ala Val Cys Gln Lys Asp Gly

340 345 350

Ser Trp Asp Arg Pro Met Pro Ala Cys Ser Ile Val Asp Cys Gly Pro

355 360 365

Pro Asp Asp Leu Pro Ser Gly Arg Val Glu Tyr Ile Thr Gly Pro Gly

370 375 380

Val Thr Thr Tyr Lys Ala Val Ile Gln Tyr Ser Cys Glu Glu Thr Phe

385 390 395 400

Tyr Thr Met Lys Val Asn Asp Gly Lys Tyr Val Cys Glu Ala Asp Gly

405 410 415

Phe Trp Thr Ser Ser Lys Gly Glu Lys Ser Leu Pro Val Cys Glu Pro

420 425 430

Val Cys Gly Leu Ser Ala Arg Thr Thr Gly Gly Arg Ile Tyr Gly Gly

435 440 445

Gln Lys Ala Lys Pro Gly Asp Phe Pro Trp Gln Val Leu Ile Leu Gly

450 455 460

Gly Thr Thr Ala Ala Gly Ala Leu Leu Tyr Asp Asn Trp Val Leu Thr

465 470 475 480

Ala Ala His Ala Val Tyr Glu Gln Lys His Asp Ala Ser Ala Leu Asp

485 490 495

Ile Arg Met Gly Thr Leu Lys Arg Leu Ser Pro His Tyr Thr Gln Ala

500 505 510

Trp Ser Glu Ala Val Phe Ile His Glu Gly Tyr Thr His Asp Ala Gly

515 520 525

Phe Asp Asn Asp Ile Ala Leu Ile Lys Leu Asn Asn Lys Val Val Ile

530 535 540

Asn Ser Asn Ile Thr Pro Ile Cys Leu Pro Arg Lys Glu Ala Glu Ser

545 550 555 560

Phe Met Arg Thr Asp Asp Ile Gly Thr Ala Ser Gly Trp Gly Leu Thr

565 570 575

Gln Arg Gly Phe Leu Ala Arg Asn Leu Met Tyr Val Asp Ile Pro Ile

580 585 590

Val Asp His Gln Lys Cys Thr Ala Ala Tyr Glu Lys Pro Pro Tyr Pro

595 600 605

Arg Gly Ser Val Thr Ala Asn Met Leu Cys Ala Gly Leu Glu Ser Gly

610 615 620

Gly Lys Asp Ser Cys Arg Gly Asp Ser Gly Gly Ala Leu Val Phe Leu

625 630 635 640

Asp Ser Glu Thr Glu Arg Trp Phe Val Gly Gly Ile Val Ser Trp Gly

645 650 655

Ser Met Asn Cys Gly Glu Ala Gly Gln Tyr Gly Val Tyr Thr Lys Val

660 665 670

Ile Asn Tyr Ile Pro Trp Ile Glu Asn Ile Ile Ser Asp Phe

675 680 685

Claims

1.多肽的晶体，所述多肽包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸。

2.权利要求1的晶体，其中所述多肽包含丝氨酸蛋白酶结构域。

3.权利要求2的晶体，其中所述多肽还包含MASP-2的CCP-2结构域。

4.权利要求1或2的晶体，其中MASP-2是SEQ ID 1所示的人MASP-2或其功能同源物，其中所述功能同源物具有与SEQ ID 1至少70％相同的序列。

5.权利要求1的晶体，其中所述多肽包含SEQ ID 1的氨基酸483-633。

6.权利要求1的晶体，其中所述多肽包含SEQ ID 1的氨基酸363-686。

7.权利要求1的晶体，其中所述多肽由SEQ ID 1的氨基酸363-686以及至少一个氨基酸的额外肽组成，所述额外肽优选大约4个氨基酸。

8.权利要求1的晶体，其中MASP-2是SEQ ID 1所示的人MASP-2，其中氨基酸443-445中的至少一个氨基酸被突变。

9.权利要求1的晶体，其中所述晶体衍射X线，从而以下述分辨率测定原子坐标至少5_，优选至少4_，更优选至少3_，更优选至少2.5_，最优选至少2.25_。

10.权利要求1的晶体，其中所述晶体包含以下述坐标所示的空间关系排列的原子：表3的结构坐标或与表3的结构坐标的标准差不超过2.5_。

11.权利要求1的晶体，其中所述晶胞大小为a＝40.950，b＝41.521，c＝102.994，alpha＝96.44，beta＝91.77，gamma＝119.52。

12.权利要求1的晶体，其中所述晶体包含以下述坐标所示的空间关系排列的原子：表4的结构坐标或与表4的结构坐标的标准差不超过2.5_的坐标。

13.制备多肽的晶体的方法，所述多肽包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸，其中所述方法包括以下步骤

i)提供所述多肽；

ii)可选提供能与所述多肽相互作用的化合物；

iii)使晶体在这样的条件下生长，其中所述多肽且可选所述化合物在缓冲液中保温，所述缓冲液包含5-25％的聚乙二醇，0.01M-0.5M的盐，1-10％选自甘油和2-甲基-2，4-戊二醇(penthanediol)组成的组的醇，其中所述缓冲液的pH范围是6-9；；

iv)由此制得所述晶体。

14权利要求12的方法，其中步骤iii)包含在5-25℃的温度保温。

15.权利要求12的方法，其中所述多肽包含CCP-2和MASP-2的丝氨酸蛋白酶结构域。

16.权利要求12的方法，其中MASP-2是SEQ ID 1所示的人MASP-2或其功能同源物，其中所述功能同源物具有与SEQ ID 1至少70％相同的序列。

17.权利要求16的方法，其中所述多肽包含SEQ ID 1的氨基酸299-686。

18.权利要求16的方法，其中所述多肽由SEQ ID 1的氨基酸299-686以及至多20个氨基酸的额外肽组成，所述额外肽优选大约4个氨基酸。

19权利要求12的方法，其中MASP-2是SEQ ID 1所示的人MASP-2，其中氨基酸443-445中的至少一个氨基酸被突变。

20.权利要求12的方法，其中所述晶体衍射X-线，从而以下述分辨率测定原子坐标：至少5_，优选至少4_，更优选至少3_，更优选至少2.5_，最优选至少2.25_。

21.鉴定能与包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽发生反应的化合物的方法，其中所述方法包括以下步骤

i)提供用于产生分子和分子复合体的三维图象的计算机系统，其中所述计算机系统包括：

机器可读数据存储介质，包括编码有机器可读数据的数据存储材料，其中所述数据含有包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个氨基酸的多肽的结构坐标；

工作存储器，其存储用于加工所述机器可读数据的指令；

与所述工作存储器和所述机器-可读数据存储介质相连接的中央处理部件，该部件用于处理所述机器-可读数据存储介质，从而将所述机器可读数据处理为所述的三维图像；和

ii)在计算机上执行指令用于从所述多肽的晶体的结构坐标产生所述多肽的三维图像，使得该计算机将包含所述多肽的分子模型的结构坐标的计算机可读数据载入其记忆；

iii)产生一或多种受试化合物的分子模型；

iv)从所述分子模型计算一或多种可能的分子复合体，所述分子复合体可通过将所述多肽与所述一或多种受试化合物相结合而形成；

vi)选出能与所述多肽反应的化合物。

22.权利要求21的方法，其中所述方法还包括以下步骤

vii)提供至少一种所选的化合物；

vii)提供包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸的多肽；

vii)使所述多肽与所选的化合物在可发生相互作用的条件下接触；

vii)检测所述多肽与所选化合物之间的相互作用，由此鉴定能与所述多肽反应的化合物。

23.权利要求21或22的方法，其中所述多肽包含CCP-2结构域和MASP-2的丝氨酸蛋白酶结构域。

24.权利要求21或22的方法，其中MASP-2是SEQ ID 1所示的人MASP-2或其功能同源物，其中所述功能同源物具有与SEQ ID 1至少70％相同的序列。

25.权利要求21或22的方法，其中所述多肽包含SEQ ID 1的氨基酸299-686。

26.权利要求21或22的方法，其中所述多肽由SEQ ID 1的氨基酸299-686以及至多20个氨基酸的额外肽组成，所述额外肽优选大约4个氨基酸。

27.权利要求21或22的方法，其中所述结构坐标是表3所示的坐标，或就保守的蛋白骨架原子而言与表3所示坐标的标准差不超过1.5_的坐标。

28.权利要求21或22的方法，其中所述结构坐标是表4所示的坐标，或就保守的蛋白骨架原子而言与表4所示坐标的标准差不超过1.5_的坐标。

29.权利要求21的方法，其中所述方法包括产生所述多肽上的底物结合位点的3D图像，并选出能与所述位点发生相互作用的化合物。

30.权利要求29的方法，其中所述底物结合位点是C4结合位点。

31.权利要求29的方法，其中所述底物结合位点是C2结合位点。

32.权利要求29的方法，其中所述底物结合位点是MASP-2结合位点。

33.权利要求29的方法，其中所述底物结合位点是C1抑制物结合位点。

34.权利要求21的方法，其中所选的化合物是MASP-2活性的调节物。

35.权利要求21的方法，其中所选的化合物是MASP-2活性的抑制物。

36.权利要求21的方法，其中所选的化合物是MASP-2活性的活化物或增强物。

37.权利要求21-36之一的方法，其中所述方法还包含以下步骤

i)在计算机上执行指令用于从第二种多肽的晶体的结构坐标产生所述第二种多肽的三维图像，所述第二种多肽包括Clr的丝氨酸蛋白酶结构域，使得该计算机将包含所述第二种多肽的分子模型的结构坐标的计算机可读数据载入其记忆；

i)从所述分子模型计算一或多种可能的分子复合体，其可通过将所述第二种多肽与一或多种选出的受试化合物相连来形成；

ii)产生输出数据，其指示反应的程度；

iii)选择不能与所述第二种多肽反应的化合物。

38.权利要求21-36之一的方法，其中所述方法还包含以下步骤

v)在计算机上执行指令用于从第二种多肽的晶体的结构坐标产生所述第二种多肽的三维图像，所述第二种多肽包含Cls的丝氨酸蛋白酶结构域，使得计算机将包含所述第二种多肽的分子模型的结构坐标的计算机可读数据载入其记忆；

ii)产生输出数据，其指示反应的程度；

iii)选择不能与所述第二种多肽反应的化合物。

39.权利要求21-38之一的方法，其中所述方法还包括制备包含多肽以及至少一种能够与所述多肽相互作用的所选化合物的晶体，所述多肽含有来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸。

40.权利要求39的方法，其中所述晶体通过权利要求13-20之一的方法制备。

41.权利要求39的方法，其中所述晶体的结构是确定的。

42.权利要求12-41之一的方法，其中所述方法还包含利用来自所述结构的信息制备另一种能与所述多肽反应的化合物。

43.权利要求21-42之一的方法鉴定的、能与包含来自MASP-2的丝氨酸蛋白酶结构域的至少150个氨基酸的多肽相互作用的化合物。

44.鉴定能抑制MASP-2活性的化合物的方法，其中所述方法包括以下步骤：

机器可读数据存储介质，其包含编码有机器可读数据的数据存储材料，其中所述数据包括含有CCP-2和MASP-2的丝氨酸蛋白酶结构域的多肽的结构坐标；

工作存储器，其存储用于加工所述机器可读数据的指令；

与所述工作存储器和所述机器-可读数据存储介质相连接的中央处理部件，其用于处理所述机器-可读数据存储介质，从而将所述机器可读数据处理为所述三维图像；和

ii)在计算机上执行指令用于从所述第二种多肽的晶体的结构坐标产生所述多肽上的底物结合位点的三维图像，使得计算机将包含所述结合位点的分子模型的结构坐标的计算机可读数据载入其记忆；

iii)产生一或多种受试化合物的分子模型；

iv)从所述分子模型计算一或多种可能的分子复合体，其可通过将所述结合位点与所述一或多种受试化合物相连接而形成；

41.权利要求44的方法，其中所述方法还包括以下步骤

i)提供至少一种所选的化合物；

ii)提供MASP-2；

iii)测定存在或缺失所述化合物的情况下MASP-2的活性；

iv)鉴定化合物，所述化合物存在时的MASP-2活性低于所述化合物缺乏时的MASP-2活性。

42.权利要求44或41的方法，其中所述底物结合位点是C4结合位点。

43.权利要求44或41的方法，其中所述底物结合位点是C2结合位点。

44.权利要求44或41的方法，其中所述底物结合位点是MASP-2结合位点。

45.权利要求44或41的方法，其中所述底物结合位点是C1抑制物结合位点。

46.权利要求44的方法，其中MASP-2活性是C4裂解。

47.权利要求44-46之一的方法，其中MASP-2是SEQ ID 1所示的人MASP-2或其功能同源物，其中所述功能同源物具有与SEQ ID 1至少70％相同的序列。

48.权利要求44或41的方法，其中其中所述结构坐标是表3所示的坐标，或就保守的蛋白骨架原子而言与表3所述坐标的标准差不超过1.5_的坐标。

49.权利要求44-41的方法，其中其中所述结构坐标是表4所示的坐标，或就保守的蛋白骨架原子而言与表4所示坐标的标准差不超过1.5_的坐标。

50.权利要求40-49之一的方法，其中所述方法还包含制备含有多肽以及至少一种能够与所述结合位点相互作用的所选化合物的晶体，所述多肽含有来自MASP-2的丝氨酸蛋白酶结构域的至少150个连续氨基酸。

51.权利要求50的方法，其中所述晶体通过权利要求13-20之一的方法制备。

52.权利要求51的方法，其中所述晶体的结构是确定的。

53.权利要求52的方法，其中所述方法还包含其中所述方法还包含利用来自所述结构的信息制备另一种能与所述结合位点相互作用的化合物。

54.权利要求44-53之一的方法鉴定的能抑制MASP-2活性的化合物。