JPWO2006095731A1 - Complex crystal of Rho-kinase and substance having its interaction - Google Patents

Abstract

  The present invention uses a crystal of a complex of Rho kinase and a substance having its interaction, a method for preparing the crystal, acquisition of structural data by X-ray diffraction using the crystal, and structural data by X-ray crystal diffraction. It is an object of the present invention to provide a method for screening a substance that interacts with a known Rho kinase. Such a subject is a polypeptide comprising a part of Rho kinase, wherein the 98th isoleucine, the 172nd methionine, the 176th aspartic acid and the 231st amino acid sequence of the amino acid sequence shown in SEQ ID NO:1. It is solved by preparing a crystal of a complex of a kinase domain polypeptide containing a polypeptide consisting of an amino acid sequence containing alanine and a substance having an interaction with Rho kinase. From the obtained crystal, a substance having an interaction with Rho kinase can be screened by clarifying the three-dimensional structural coordinates by X-ray crystal diffraction.

Description

  The present invention uses a complex crystal of Rho kinase and a substance having its interaction, preparation of the crystal, acquisition of structural data by X-ray crystal diffraction using the crystal, and structural data by X-ray crystal diffraction. The present invention relates to a method for screening a substance that interacts with Rho kinase.

  This application claims the priority from Japanese Patent Application No. 2005-064010, which is incorporated herein by reference.

  In the living body, a group of low molecular weight GTP proteins (G proteins) having a molecular weight of 20,000 to 30,000 and having no subunit structure are present. The low molecular weight G proteins are roughly classified into four families, Ras, Rho, Rab, and others, based on their amino acid sequence similarity. It has become clear that this low molecular weight G protein controls various cell functions.

  The low molecular weight G protein Rho (hereinafter simply referred to as “Rho protein”) is used for cell proliferation and differentiation, cell morphological changes, cell adhesion, cell motility, cytokinesis, tumor formation and metastasis, and vascular smooth muscle contraction. Involved. These physiological functions are exerted by a target protein whose function is regulated by the binding of Rho protein, and one of the important proteins activated by the binding of Rho protein is Rho-association with protein kinase activity. It has been found to be a protein kinase (hereinafter, simply referred to as "Rho kinase"). Rho kinase is also called ROKα or ROCK II. An isozyme called ROKβ or ROCK I is also known. Much of the biological activity of Rho kinase is associated with enhanced myosin function by phosphorylation of the regulatory subunits of myosin and myosin phosphatase. The Rho kinase molecule has a kinase domain on the amino terminal side, which is the main body of kinase activity and is believed to act on the kinase domain of known inhibitors.

Some of the protein kinase inhibitors are being studied. It seems that about 30 protein kinases out of 518 protein kinases contained in the human genome (6% or less of known protein kinases) have been analyzed for crystal structure (Non-Patent Document 1). Although there is a report on the structure of a complex of protein kinase A (PKA) and Rho kinase inhibitor (Y-27632, Fasudil and H-1152P) (Non-patent document 2), it is considered that a region containing a kinase domain of Rho kinase is used. There were no reports of complexes of Rho kinase inhibitors, and there was no valid method for crystallization and three-dimensional structural analysis of Rho kinase domains. Therefore, despite its importance in biology, medicine, and pharmacy, the three-dimensional structure was unknown.
Science, 298, 1912-1934 (2002) Structure, 11, 1595-1607 (2003)

  The present invention provides a crystal of a complex of Rho kinase and a substance having its interaction, a method for preparing the crystal, acquisition of structural data by X-ray crystal diffraction using the crystal, and structural data by X-ray crystal diffraction. It is an object of the present invention to provide a screening method for a substance that interacts with the Rho kinase used.

  As a result of intensive studies to solve the above problems, the present inventors have established a protein expression system and a purification method capable of efficiently preparing the kinase domain of Rho kinase. Crystals of a complex of the Rho kinase kinase domain obtained by this method and a substance that interacts with Rho kinase were prepared, and their three-dimensional structural coordinates were clarified by X-ray crystal diffraction. Further, from the obtained three-dimensional structure coordinates, it was clarified which amino acid residue in the kinase domain of Rho kinase is related to how the substance interacts with Rho kinase, and how the present invention was completed. .

That is, the present invention consists of the following.
1. A kinase domain polypeptide consisting of a portion of Rho kinase, which is an isolated and purified polypeptide selected from any of the following 1) to 4):
A kinase domain polypeptide consisting of a portion of Rho kinase, which is an isolated and purified polypeptide selected from any of the following 1) to 4):
1) A polypeptide comprising an amino acid sequence containing the 98th isoleucine, the 172nd methionine, the 176th aspartic acid, and the 231st alanine of the amino acid sequence shown in SEQ ID NO: 1;
2) a polypeptide comprising an amino acid beginning at one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1;
3) a polypeptide comprising the amino acid sequence shown in SEQ ID NO: 2 or 3;
4) A polypeptide comprising an amino acid sequence having a homology of 90% or more with the amino acid sequence shown in SEQ ID NO: 2 or 3.
2. A polynucleotide encoding the polypeptide according to item 1 above.
3. A recombinant vector comprising the polynucleotide according to item 2 above.
4. A transformant transformed with the polynucleotide according to item 2 or the recombinant vector according to item 3.
5. A method for producing the polypeptide according to item 1, which comprises a step of expressing the polypeptide using the transformant according to item 4.
6. A complex crystal of a kinase domain polypeptide consisting of a part of Rho kinase and a substance having an interaction with Rho kinase, wherein the unit cell constant is a: 89 to 104Å; b: 89 to 104Å; c: 254 to A crystal that is 345Å.
7. The crystal according to item 6, wherein the composite crystal is specified by any of the following:
1) The unit cell constants a are 101.5 to 103.5Å; b is 101.5 to 103.5Å; c is 254.6 to 259.7Å and belong to the tetragonal space group P4 _{1 1} 2 ₁ 2;
2) unit cell constants, a is 89.7~91.7Å; b is 89.7~91.7Å; c crystals belonging to the hexagonal space group P6 ₂ 22 in 337.7～344.5A.
8. The crystal according to the above 6 or 7, wherein the kinase domain polypeptide is a polypeptide selected from any of the following 1) to 4):
1) A polypeptide comprising an amino acid sequence containing the 98th isoleucine, the 172nd methionine, the 176th aspartic acid, and the 231st alanine of the amino acid sequence shown in SEQ ID NO: 1;
2) a polypeptide comprising an amino acid beginning at one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1;
3) a polypeptide comprising the amino acid sequence shown in SEQ ID NO: 2 or 3;
4) A polypeptide comprising an amino acid sequence having a homology of 90% or more with the amino acid sequence shown in SEQ ID NO: 2 or 3.
9. 9. The crystal according to any one of items 6 to 8 above, wherein the substance that interacts with Rho kinase is a Rho kinase inhibitor.
10. 10. The crystal according to any one of items 6 to 9 above, wherein the Rho kinase inhibitor is a homopiperazine derivative or a pyridine derivative.
11. The method for preparing a crystal according to any one of items 6 to 10 above, which comprises the following steps:
1) A step of mixing a solution containing a polypeptide consisting of a mammalian Rho kinase portion with 1 to 40 mg/ml with a solution containing 0.01 to 10 mM of a substance having an interaction with Rho kinase;
2) a step of obtaining crystals by vapor diffusion equilibrium method using a solution containing ammonium sulfate, sodium citrate, polyethylene glycol and ammonium sulfate,
3) The crystals obtained in 2) above are further treated with a solution in which the concentration of sodium citrate is changed from at least 0.075 M to 1 M and the concentration is changed to at least two, and a single crystal is obtained by vapor diffusion equilibrium method. The process of obtaining.
12. A method for screening a substance having an interaction with Rho kinase, which comprises using three-dimensional coordinates obtained by high-resolution X-ray crystal diffraction of the crystal according to any one of items 6 to 10 above.
13. 13. The screening method according to item 12 above, wherein the use of three-dimensional coordinates searches for a drug from a virtual compound library based on computer processing information obtained by computer processing the three-dimensional coordinates and performs virtual screening.
14. Computer graphics analysis using the three-dimensional coordinates obtained by high resolution X-ray crystal diffraction of the crystal described in any one of the above items 6 to 10, and designing the structure of the drug from the obtained analysis results. A method for designing a drug of a substance having an interaction with Rho kinase, which is characterized.

Rho kinase is a protein that is difficult to prepare in large quantities. INDUSTRIAL APPLICABILITY The present invention has made it possible to prepare a stable protein sample in a large amount by narrowing the expressed protein to a kinase domain targeted by an agent acting such as Rho kinase inhibitor. By using this sample (kinase domain polypeptide), a crystal of a complex of Rho kinase and a substance having its interaction can be obtained, and the three-dimensional structural analysis of the crystal by X-ray crystal diffraction of the complex crystal It became possible to clarify which amino acid residue is involved in how Rho kinase interacts with substances that interact with it.
This makes it possible to virtually screen a substance that interacts with Rho kinase, such as a Rho kinase inhibitor, on a computer, and further to design the substance.

Fig. 2 is a photograph showing a crystal of a complex of bovine Rho kinase dimer domain and an inhibitor HA-1077. (Example 3) Fig. 2 is a photograph showing a single crystal of a complex of bovine Rho kinase dimer domain and inhibitor HA-1077. (Example 3) Fig. 6 is a photograph showing a crystal of a complex of the bovine Rho kinase dimer domain and the inhibitor Y-27632. (Example 4) FIG. 3 is a photograph showing a single crystal of a complex of the bovine Rho kinase dimer domain and the inhibitor Y-27632. (Example 4) Fig. 6 is a photograph showing a crystal of a complex of bovine Rho kinase monomer domain and inhibitor Y-27632. (Example 5)

The present invention relates to a complex crystal of a polypeptide comprising a part of Rho kinase and a substance having an interaction with Rho kinase. The crystal of the present invention has unit cell constants a of 89 to 104Å; b of 89 to 104Å; c of 254 to 345Å. Specifically, a is 101.5 to 103.5Å; b is 101.5 to 103.5Å; c is 254.6 to 259.7Å, and crystals and/or unit cell constants belonging to the tetragonal space group P4 _{1 1} 2 ₁ are 89.7. ~91.7Å; b is 89.7~91.7Å; c is a crystal belonging to the hexagonal space group P6 ₂ 22 in 337.7～344.5A.
The crystal obtained by the present invention has a resolution of about 2.0Å to about 3.5Å and is of sufficient quality and size for three-dimensional structural analysis by X-ray crystal diffraction. The present invention also relates to a method of preparing the composite crystals.

  In the present invention, Rho kinase is not particularly limited as long as it is derived from a mammal, and examples thereof include human, bovine, and porcine origin. It is preferable to have an active domain substantially equivalent to that of human-derived Rho kinase. For example, bovine-derived Rho kinase used in Examples described below has 87% identity with the amino acid sequence of human-derived Rho kinase in the entire length, and 98% if limited to the dimer kinase domain. It can be said that the three-dimensional structures of the domain and the Rho kinase inhibitor are substantially the same, and the crystal of the present invention and various analysis results using the crystal can be directly applied to human Rho kinase. Further, with respect to the human Rho kinase isozyme, the dimer kinase domain has 95% homology (84% identity), and it can be similarly applied.

(Kinase domain polypeptide)
In the present invention, the “kinase domain polypeptide” is a polypeptide comprising a part of Rho kinase, for example, a polypeptide constituting a kinase domain that is a target of a substance that interacts with Rho kinase such as Rho kinase inhibitor. Say. Examples of Rho kinase in the present specification include those constituted by the amino acid sequence shown in SEQ ID NO: 1 in the sequence listing. Rho kinase is a protein that is difficult to prepare in large quantities. In the present invention, in order to obtain a stable protein in a large amount, a kinase domain polypeptide which is a part of Rho kinase was selected and prepared.

The kinase domain polypeptide is selected from any of the following 1) to 4):
1) A polypeptide comprising an amino acid sequence containing the 98th isoleucine, the 172nd methionine, the 176th aspartic acid, and the 231st alanine of the amino acid sequence shown in SEQ ID NO: 1;
2) A polypeptide containing an amino acid starting from one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1 of the sequence listing;
3) a polypeptide comprising the amino acid sequence shown in SEQ ID NO: 2 or 3 of the sequence listing;
4) A polypeptide comprising an amino acid sequence having 90% or more homology with the amino acid sequence shown in SEQ ID NO: 2 or 3 of the sequence listing.

  Having 90% or more homology with the amino acid sequence shown in SEQ ID NO: 2 or 3 in the sequence listing means that the amino acids constituting the polypeptide are 90% or more homologous with the amino acid sequence shown in SEQ ID NO: 2 or 3. Yes, it is a sequence that is judged from the similarity taking into consideration the side chains of amino acid residues and does not substantially change the three-dimensional structure of Rho kinase. The fact that the three-dimensional structure of Rho kinase is not substantially changed means that it substantially retains the interaction function with a substance that interacts with Rho kinase. Such a sequence can be obtained by introducing a mutation such as deletion, substitution, addition or insertion into the amino acid sequence shown in SEQ ID NO: 2 or 3.

  Generally, means for introducing mutations such as deletion, substitution, addition or insertion into a polypeptide are known per se, and for example, use of Ulmer technology (Science, 219, 666-671 (1983)) You can In introducing such a mutation, from the viewpoint of not changing the basic properties (physical properties, function, immunological activity, etc.) of the polypeptide, for example, a cognate amino acid (polar amino acid, nonpolar amino acid, hydrophobic amino acid, Mutual substitutions between hydrophilic amino acids, positively charged amino acids, negatively charged amino acids and aromatic amino acids, etc.) are readily envisioned. Furthermore, these available polypeptides can be modified to such an extent that the constituent amino groups, carboxyl groups, etc. are not modified, for example, by amidation modification.

The following is the amino acid sequence of bovine Rho kinase shown in SEQ ID NO: 1 in the sequence listing.
msrppptgkm pgapeavsgd gagasrqrkl ealirdprsp inveslldgl nslvldldfp alrknknidn flnryekivk kirglqmkae dydvvkvigr gafgevqlvr hkasqkvyam kllskfemik rsdsaffwee rdimafansp wvvqlfcafq ddkylymvme ympggdlvnl msnydvpekw akfytaevvl aldaihsmgl ihrdvkpdnm lldkhghlkl adfgtcmkmd etgmvhcdta vgtpdyispe vlksqggdgy ygrecdwwsv gvflfemlvg dtpfyadslv gtyskimdhk nslcfpedae iskhaknlic afltdrevrl grngveeikq hpffkndqwn wdniretaap vvpelssdid ssnfddiedd kgdvetfpip kafvgnqlpf igftyyrenl llsdspscke ndsiqsrkne esqeiqkkly tleehlstei qakeeleqkc ksvntrlekv akeleeeitl rknvestlrq lerekallqh knaeyqrkad headkkrnle ndvnslkdql edlkkrnqns qistekvnql qrqldetnal lrtesdtaar lrktqaessk qiqqlesnnr dlqdknclle taklklekef inlqsvlese rrdrthgsei indlqgrisg leedvkngki llakvelekr qlqerftdle keknnmeidm tyqlkviqqs leqeetehka tkarladknk iyesieeaks eamkemekkl seertlkqkv enllleaekr csildcdlkq sqqkinellk qkdvlnedvr nltlkieqet qkrcltqndl kmqtqqvntl kmsekqlkqe nnhllemkms lekqnaelrk erqdadgqmk elqdqleaeq yfstlyktqv relkeeceek tklckelqqk kqelqderds laaqleitlt kadseqlars iaeeqysdle kekimkelei kemmarhkqe ltekdatias leetnrtlts dvanlaneke elnnklkeaq eqlsrlkdee isaaaikaqf ekqlltertl ktqavnklae imnrkepvkr gndtdvrrke kenrklhmel kserekltqq mikyqkelne mqaqiaeesq irielqmtld skdsdieqlr sqlqalhigl dsssigsgpg dteaddgfpe srlegwlslp vrnntkkfgw vkkyvivssk kilfydseqd keqsnpymvl didklfhvrp vtqtdvyrad akeiprifqi lyanegeskk eqefpvepvg eksnyichkg hefiptlyhf ptnceacmkp lwhmfkpppa lecrrchikc hkdhmdkkee iiapckvyyd issaknllll ansteeqqkw vsrlvkkipk kppapdpfar ssprtsmkiq qnqsirrpsr qlapnkps (array Number 1)

The following is the polypeptide shown in SEQ ID NO: 2 in the sequence listing. The first two residues are sequences derived from the cloning vector. It corresponds to the amino acid sequences 18 to 417 of bovine Rho kinase shown in SEQ ID NO: 1 in the sequence listing, and constitutes the dimer domain of bovine Rho kinase.
GASGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFCAFQDDKYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLFEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIKQHPFFKNDQWNWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYR (SEQ ID NO: 2)

The following is the polypeptide shown in SEQ ID NO: 3 in the sequence listing. The first two residues are sequences derived from the cloning vector. It corresponds to the amino acid sequences 86 to 417 of bovine Rho kinase shown in SEQ ID NO: 1 of the sequence listing, and constitutes the monomer domain of bovine Rho kinase.
GAQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFCAFQDDKYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLFEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIKQHPFFKNDQWNWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYR (SEQ ID NO: 3)

(Method for preparing kinase domain polypeptide)
The kinase domain polypeptide can be produced according to a conventional method. Specific examples thereof include a peptide synthesis method using a normal liquid phase method and a solid phase method, but the method is not limited thereto, and known methods can be widely used. Alternatively, it can be produced using a commercially available peptide synthesizer. Alternatively, it can be obtained by a genetic engineering method. For example, a recombinant DNA (expression vector) capable of expressing a gene encoding a desired polypeptide in a host cell is prepared, and this is transformed into an appropriate host cell, for example, Escherichia coli, and then the transformant. It can be produced by culturing the bacterium and then recovering the desired polypeptide from the obtained culture. Genetic engineering techniques are described in, for example, Maniatis et al., 1989, "Molecular Cloning: A Laboratory Manual," Second Edition, Cold Spring Harbor Laboratory, NY; and Ausubel et al. , 1989, "Current Protocols in Molecular Biology", Greene Publishing Associates and Wiley Interscience, NY. The above polypeptides can be expressed using a variety of host expression systems.

First, a nucleic acid amplification product is obtained by using a known nucleic acid amplification means such as PCR using the cDNA of Rho kinase as a template. A restriction enzyme is used to prepare the polynucleotide of the peptide portion required for the present invention, ie, the region encoding the kinase domain polypeptide. Examples of the nucleotide sequence of the polynucleotide of the region encoding the peptide include the sequences shown in SEQ ID NOs: 4 and 5 of the Sequence Listing, but the nucleotide sequence is not limited thereto as long as it encodes a kinase domain polypeptide. It is not something that will be done.
For example, a polynucleotide consisting of the nucleotide sequence represented by SEQ ID NO: 4 or 5 and so-called stringent conditions (60° C., 6×SSC buffer, 5× Denhardt's solution, 50 mM PIPES, 100 mM phosphate buffer (pH 7.0)) And a DNA), which does not hybridize with a polynucleotide encoding a polypeptide having Rho kinase domain activity and having the nucleotide sequence shown in SEQ ID NO: 4 or 5, but SEQ ID NO: 4 due to degeneracy of gene codon. Alternatively, a polynucleotide encoding the same amino acid sequence as the polypeptide encoded by the DNA shown in 5 may be used.

The following is the polynucleotide shown in SEQ ID NO: 4 in the sequence listing.
(SEQ ID NO: 4)

The following is the polynucleotide shown in SEQ ID NO: 5 in the sequence listing.
(SEQ ID NO: 5)

  The method of introducing the polynucleotide can be a known method, and is not particularly limited, and for example, a method of integration, such as a liposome method, a calcium phosphate method, an electroporation method, a retrovirus method, or the like can be used. However, a method such as a liposome method for transiently expressing, a calcium phosphate method, an electroporation method, a virus vector method, an atelocollagen method, or the like may be used. The vector to be used is not particularly limited, and it is applied to all recombinant vectors capable of introducing an inserted DNA fragment by ordinary recombination experiments such as known plasmids, phages, cosmids, BACs, YACs, recombinant viruses, and transposons. be able to. The vector can of course be constructed with promoters and enhancers for which known combinations are suitable. For example, a commercially available protein expression vector in which a promoter suitable for a host is usually inserted can be used. Specific examples include ZAPExpress (Stratagene), pSVK3 (Amersham Bioscience), pEGFP-C1 (Clontech), and atelocollagen.

  Insertion of a kinase domain polypeptide expression polynucleotide into a vector is carried out by linking the polynucleotide so that it is located downstream of the promoter in the vector and under the control of the promoter. In addition, a Kozak sequence (Kozak, M. Gene, 234, 187-208 (1999)) may be inserted between the promoter and the polynucleotide for expressing the polypeptide, or downstream of the polynucleotide for expressing the polypeptide, and purified later. For this, sequences encoding peptide tags (eg hexa-His tag or Flag peptide tag) can be introduced. A homologous recombination technique of directly inserting a promoter-linked peptide into the chromosome of the target cell, or a transposon or an insertion sequence (Vertes AA et al. Molecular Microbiol., 11, 739-46 (1994)) can be used. ..

  Expression systems for polypeptides include, but are not limited to, microorganisms such as bacteria, yeast, insect cell lines infected with viruses (eg, baculovirus), virus expression systems, plant cell lines, animal cell lines. Specifically, it can be expressed in Escherichia coli by obtaining a recombinant baculovirus genome into which the polynucleotide encoding the above peptide is incorporated, and purifying the purified baculovirus genome into Sf9 insect cells. Alternatively, it can be expressed by a cell-free expression system using wheat germ or the like.

The polypeptide of the present invention can be isolated or purified by a known method. The expressed polypeptide can be purified on a Ni ²⁺ chelate forming column when, for example, a hexa-His tag is introduced, and when a Flag peptide tag is introduced, a commercially available anti-Flag peptide antibody is used. Can be purified by immunoprecipitation or affinity chromatography.

(Substances that interact with Rho kinase)
As used herein, the term “interaction with Rho kinase” means that substances having an interaction with Rho kinase interact with each other in a certain manner. The “certain manner” includes binding, physical contact, proximity, etc., and may be any manner as a result of mutually acting. In the present invention, the substance having an interaction with Rho kinase is preferably a Rho kinase inhibitor.
Examples of Rho kinase inhibitors include protein kinase ATP binding site target inhibitors, and examples thereof include homopiperazine derivatives and pyridine derivatives. More specifically, as an example of a homopiperazine derivative, HA-1077 (dihydrochloride (2-HCl) salt, 1-(5-isoquinolinesulfonyl) homopiperazine (dihydrochloride(di-HCl)Salt 1-(5-isoquinolinesulfonyl) homopiperazine)) and examples of pyridine derivatives include Y-27632 ((R)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide, dihydrochloride (( R)-(+)-trans-N-(4-Pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide,dihydrochloride)).

(Method for preparing crystals)
The complex crystals of the invention can be obtained by techniques well known in the art of protein crystallography, including batch, liquid bridge, dialysis, vapor diffusion equilibrium, and hanging drop techniques. For example, McPherson, 1982, "Preparation and Analysis of Protein Crystals," John Wiley, NY; McPherson, 1990, Eur. J. Biochem. 189:1-23; Webber, 1991, Adv. Protein Chem. 41:1-36; "Crystallization of Nucleic Acids and Proteins", Arnaud Ducruix and Richard Giege. , Oxford University Press; "Protein Crystallization Techniques, Strategies, and Tips", edited by Terese Bergfors, International University Line, 1999, etc. can be referred to. The complex crystals of the invention comprise a mixture of substantially pure kinase domain polypeptide and a substance that interacts with Rho kinase in a concentration of precipitant slightly below that required to precipitate the protein. It can be grown by placing it in an aqueous buffer. Crystals can then be obtained by removing water from the aqueous solution by controlled evaporation to create a crystallized state which is maintained until crystal growth stops. Preferably, the vapor diffusion equilibrium method can be applied.

In order to obtain a crystal suitable for three-dimensional structural analysis by X-ray crystal diffraction, it is necessary to select conditions under which clusters do not grow.
There are several methods of preparing crystals that do not grow clusters. For example, the concentration of a precipitant or the like is adjusted to avoid an excessive supersaturated state, so that a single crystal can be obtained by gently advancing the crystallization. A seeding method for growing a single crystal using a crystal as a seed crystal (a micro seeding method is used when a minute seed crystal can be visually observed with a microscope, etc., and a micro seeding method is used when it is too small to be visually observed). Can be mentioned. Further, by adding a low molecular weight compound called a so-called additive to the crystallization conditions, the crystallinity and the diffraction resolution can be improved. In the composite crystal of the present invention, a large single crystal that does not cluster is formed by a macroseeding method as shown in Example 3 described later or by adding a weak surfactant as an additive as shown in Example 4. Can grow.

  The crystals obtained may be frozen prior to data collection. As the cryoprotective agent for freezing crystals, those known in the art can be used. Known cryoprotectants such as, for example, 20-30% saturated glucose, 15-20% ethanol, 10-20% ethylene glycol or 25% PEG 10,000 can be used.

(Method of obtaining three-dimensional structure coordinates)
The three-dimensional structural coordinates of the complex of the kinase domain polypeptide and the substance that interacts with Rho kinase can be obtained by a method known in the art. See, for example, DE McRee, "Practical Protein Crystallography," Published by Academic Press, San Diego (1993), and references cited therein.

(Crystallographic analysis data)
One of the complex crystals of a kinase domain polypeptide and a substance that interacts with Rho kinase has a unit cell constant of 101.5-103.5Å for a; 101.5-103.5Å for b; 254.6-259.7Å for c It belongs to the crystal space group P4 ₁ 2 ₁ 2. The crystals were prepared by using 25% (w/v) sucrose as an antifreezing agent condition and using the X-ray generator FR-E and Raxis7 (both manufactured by Rigaku) or the data acquisition device at the Spring-8 beamline BL44XU. The diffraction intensity was measured. The obtained data set was integrated and statistically processed by DENZO/Scalepack, corrected and averaged and integrated. The unit cell constant and space group were determined during this process.
Another complex crystal unit cell constants, a is 89.7~91.7Å; b is 89.7~91.7Å; c belongs to the hexagonal space group P6 ₂ 22 in 337.7～344.5A. Crystals were determined in the same manner as tetragonal crystals using 20% (w/v) glycerol as an antifreeze condition.

  The crystals described herein, and especially the three-dimensional structural coordinates obtained therefrom, have a wide range of applications. For example, it is particularly useful to screen candidate compounds for agents that interact with Rho kinase as an approach to developing new therapeutic agents. Also, the structures can be analyzed from the crystals and three-dimensional structural coordinates described herein by X-ray crystallographic methods or other biophysical methods. For example, three-dimensional structures can be analyzed from computer graphics.

  As a result, the 98th isoleucine, the 172nd methionine, the 176th aspartic acid, and the 231st alanine of the amino acid sequence shown in SEQ ID NO: 1 of the Sequence Listing have an interaction with Rho kinase. It has been confirmed that it plays an important role in the interaction with substances such as Rho kinase inhibitors.

  Furthermore, by using the obtained three-dimensional structure, a substance capable of binding to the kinase domain polypeptide of the present invention can be designed, and a novel substance having an interaction with Rho kinase can be drug-designed. It is also possible to estimate whether or not the novel substance binds to the kinase domain polypeptide of the present invention, and for example, to virtually screen a novel Rho kinase inhibitor on a computer. Thus, the crystal and three-dimensional structural coordinates of the present invention can be used to elucidate the structure and function of Rho kinase and provide a convenient means for obtaining substances having novel interactions.

  The substance having an interaction with Rho kinase obtained by the present invention can be used as a medicine. A drug containing a substance that interacts with Rho kinase, for example, a novel Rho kinase inhibitor can be used as a therapeutic drug for various diseases that may occur due to overexpression of Rho kinase. The medicine of the present invention can be prepared into various forms such as powders, granules, tablets, capsules, enteric agents, solutions, injections (solutions, suspensions) according to the purpose of prevention or treatment, etc. by a conventional method. Therefore, it can be prepared. Usually, the medicament of the present invention is preferably manufactured as a pharmaceutical composition using one or more pharmaceutical carriers.

  The dosage or intake of the pharmaceutical agent of the present invention is not particularly limited as long as the effects of the present invention can be obtained, and the effectiveness of the components contained, the dosage form, the administration route, the type of disease, It is appropriately selected according to the nature of the subject (weight, age, medical condition, presence or absence of use of other medicines, etc.), and the judgment of the doctor in charge. The medicament or food of the present invention can be administered or ingested once or several times a day, and may be intermittently administered or ingested once every several days or weeks.

  In the following, in order to make the understanding of the present invention more reliable, examples are shown and described, but it goes without saying that the present invention is not limited to these examples.

(Example 1) Preparation of dimeric domain of bovine Rho kinase [18-417]
1) Preparation of polypeptide forming dimer domain Using 5'-GGGCCCGGCGCCTCGGGGGACGGCGCGGGCGCGAGCC-3' (SEQ ID NO: 6) and 5'-CCCGGGCGTACGCTATCTGTAGTAGGTAAATCCTATAAAAGG-3' (SEQ ID NO: 7) with bovine Rho kinase cDNA as a template PCR was performed using KODplus DNA polymerase (Toyobo Co., Ltd.) as a nucleotide primer.
The resulting PCR product was purified by agarose gel electrophoresis and digested with the restriction enzymes SfoI and BsiWI.
The digested product was purified again by agarose gel electrophoresis, digested with SfoI/Acc65I using T4 DNA ligase, and subcloned into vector pFastBac-HTa treated with calf intestinal alkaline phosphatase (CIP).
The resulting pFastBac construct was transposed by transformation into E. coli strain DH10Bac to generate a recombinant baculovirus genome in E. coli.
Recombinant baculovirus was obtained by purifying the genome of recombinant baculovirus from cultured E. coli and transfecting it into cultured insect cells Sf9.
After repeating the amplification, the virus was infected with cultured insect cells Sf9 to transform the recombinant polypeptide corresponding to the bovine Rho kinase sequence [18-417] into the N-terminal His-tag fusion protein (N-terminal His-tag fusion protein) in Sf9 cells. Peptide).

2) Purification of polypeptide Cells were collected, suspended in 10 times volume of lysis buffer [50 mM TrisHCl (pH8.0; 25°C), 50 mM NaCl, 10 mM 2-mercaptoethanol], and disrupted by sonication. To obtain a cell extract.
The insoluble fraction was removed by ultracentrifugation, and the ion exchange resin Q-sepharose XL (Pharmacia stock) was equilibrated with a buffer solution [20 mM TrisHCl (pH8.0; 25°C), 100 mM NaCl, 10 mM 2-mercaptoethanol]. Company). Contaminant proteins were eluted and removed with a buffer solution [20 mM TrisHCl (pH8.0; 25°C), 250 mM NaCl, 20 mM imidazole, 5 mM 2-mercaptoethanol], and the objective was to use a buffer solution with a NaCl concentration of 400 mM. Fractions containing the polypeptide were eluted.

The elution fraction was a Ni affinity resin Ni-NTA superflow (Qiagen Co., Ltd.) equilibrated with a buffer solution [20 mM TrisHCl (pH8.0; 25°C), 100 mM NaCl, 20 mM imidazole, 5 mM 2-mercaptoethanol]. ) And washed with a buffer solution having a NaCl concentration of 500 mM, and then washed again with a buffer solution containing 100 mM NaCl. The target polypeptide was eluted using a buffer solution having an imidazole concentration of 200 mM.
The elution fraction from the Ni affinity resin was adsorbed to the ion exchange resin HiTrap Q HP (Amersham Biosciences Co., Ltd.) and purified by elution with a NaCl concentration gradient.
The eluted fractions were analyzed by SDS-PAGE, and the fractions containing the target polypeptide were pooled and concentrated with a centrifugal ultrafilter CentriPlus (Nippon Millipore Corporation). Gel filtration column superdex 200pg (Amersham Bioscience) that cleaves the N-terminal His tag by limited degradation with TEV protease and is equilibrated with a buffer [20mM TrisHCl (pH8.0; 25°C), 100mM NaCl, 5mM DTT] Co., Ltd.) was used to separate and remove the N-terminal His tag fusion from the N-terminal His tag fusion polypeptide together with TEV protease.
It was purified again by adsorption and elution on HiTrap Q HP, and concentrated by CentriPlus.

  The amino acid sequence of the obtained bovine Rho kinase dimer domain [18-417] is shown in SEQ ID NO: 2 in the sequence listing. The first 2 residues are derived from the cloning vector.

(Example 2) Preparation of bovine Rho kinase (monomer domain) [86-417]
Using the cDNA of bovine Rho kinase as a template, 5'-GGGCCCGGCGCCCAGATGAAGGCAGAAGACTACGATGTTGTA-3' (SEQ ID NO: 8) and 5'-CCCGGGCGTACGCTATCTGTAGTAGGTAAATCCTATAAAAGG-3' (SEQ ID NO: 9) were used as oligonucleotide primers for PCR with KODplus DNA polymerase. It was
Hereinafter, the method for producing the protein and the method for purifying the protein were the same as in Example 1 (dimer domain [18-417]).
The resulting PCR product was digested with restriction enzymes SfoI and BsiWI and subcloned into vector pFastBac-HTa using T4 DNA ligase. The pFastBac construct was transposed by transformation into E. coli strain DH10Bac to generate the recombinant baculovirus genome in E. coli. The recombinant baculovirus was purified by purifying the genome of the recombinant baculovirus and transfecting it into cultured insect cells Sf9. After amplification of the virus, cultured insect cells Sf9 were infected, and a recombinant protein corresponding to the bovine Rho kinase sequence [86-417] was expressed as an N-terminal His-tag fusion protein in Sf9 cells.
The cells were collected, suspended in the above lysis buffer, and crushed to obtain a cell extract. The insoluble fraction was removed by centrifugation, and purification was performed using ion exchange resin Q-sepharose XL, Ni affinity resin Ni-NTA superflow, and ion exchange resin HiTrap Q HP in that order. Further, the purified fraction was analyzed by SDS-PAGE, and the fraction containing the target protein was concentrated by a centrifugal ultrafilter CentriPlus. The N-terminal His tag was cleaved, and the target protein was separated and removed by gel filtration column superdex 200 pg. It was purified again by adsorption and elution on HiTrap Q HP, and concentrated by CentriPlus.

  The amino acid sequence of the obtained bovine Rho kinase monomer domain [86-417] is shown in SEQ ID NO: 3 in the sequence listing. The first 2 residues are derived from the cloning vector.

Example 3 Protein Crystallization-Dimer Domain [18-417] and Inhibitor HA-1077
Crystallization screening kits from Hampton Research, crystal screen ^™ and crystal screen 2 ^™ were used to search for crystallization conditions. The concentrated purified protein preparation was mixed so that the absorbance at 280 nm was 10.0 (weight concentration: 7.73 mg/ml) and the concentration of the inhibitor HA-1077 was 40 mM, and the buffer [20 mM TrisHCl( pH 8.0; 25°C), 100 mM NaCl, 2 mM DTT] diluted protein solution with each solution from the kit as mother liquor at a ratio of 1:1 and crystallized by vapor diffusion equilibrium method by hanging drop Was carried out at 20°C. As a result, fine crystals were observed under the following 6 conditions.

Crystal screen ^TM
・2.0 M ammonium sulfate, 0.1 M Tris HCl pH 8.5
・1.4 M sodium citrate, 0.1 M Hepes-Na pH 7.5
・2% PEG 400, 0.1 M Hepes-Na pH 7.5, 2.0 M ammonium sulfate
Crystal screen 2 ^TM
・1.6 M sodium citrate pH 6.5
・10% PEG 6000, 0.1 M Hepes pH 7.5, 5% MPD
・1.6 M ammonium sulfate, 0.1 M Hepes pH 7.5, 0.1 M sodium chloride

  The optimization of crystallization was performed by limiting the conditions containing sodium citrate and conducting a grid search according to the concentration and pH of the added buffer. As a result, crystals as shown in FIG. 1 were obtained under the conditions of 0.8 M sodium citrate and 0.1 M sodium citrate pH 5.0.

Since crystals grow as clusters under the above conditions, the procedure of the macro seeding method described below was established for the purpose of obtaining a single crystal suitable for data collection.
(1) The crystal cluster was collected in 0.8 M sodium citrate, 0.1 M sodium citrate pH 5.0, 5 mM DTT,
(2) 0.6 M sodium citrate, 0.075 M sodium citrate pH 5.0, soaked in 3.75 mM DTT and stroked with a cryoloop to remove the adhesion of the polycrystalline,
(3) Return to 0.8 M sodium citrate, 0.1 M sodium citrate pH 5.0, 5 mM DTT and store until seeding (1 hour to maximum 24 hours).
(4) Wash the collected and stored crystals in 0.6 M sodium citrate, 0.075 M sodium citrate pH 5.0, 3.75 mM DTT,
(5) 2.0 OD ₂₈₀ (~ 1.55 mg/ml) protein, 60 μM HA-1077, 0.6 M sodium citrate, 0.075 M sodium citrate pH 5.0, 3.75 mM DTT Cryoloop in 5 μl of protein/inhibitor mixture solution Seeding with
(6) This was set in a hanging drop using 0.76 M sodium citrate, 0.095 M sodium citrate pH 5.0, 4.75 mM DTT as a well solution (mother solution).
The resulting single crystal is shown in FIG.

(Example 4) Crystallization of protein-dimer domain [18-417] and inhibitor Y-27632
When crystallization was screened in the presence of the inhibitor Y-27632 (1 mM) in the same manner as in the method described in Example 3, microcrystals were obtained under the following multiple conditions.

Crystal Screen ^TM
・2.0 M ammonium sulfate, 0.1 M Tris HCl pH 8.5
・1.4 M sodium citrate, 0.1 M Hepes-Na pH 7.5
Crystal screen 2 ^TM
・1.6 M sodium citrate pH 6.5
・10% PEG 6000, 0.1 M Hepes pH 7.5, 5% MPD
・1.6 M ammonium sulfate, 0.1 M Hepes pH 7.5, 0.1 M sodium chloride・10% PEG 8000, 0.1 M Hepes pH 7.5, 8% ethylene glycol

  The optimization of crystallization was performed by limiting the conditions containing sodium citrate and conducting a grid search according to the concentration and pH of the added buffer. As a result, crystals as shown in FIG. 3 were obtained under the conditions of 0.8 M sodium citrate and 0.1 M Na-Hepes pH 7.5.

Under the above conditions, the crystals grow as clusters, so for the purpose of obtaining a single crystal suitable for data collection, the condition was fixed to 0.8 M sodium citrate, 0.1 M Hepes-Na pH 7.5, and the interface was fixed. Improvement was attempted by adding an activator. As a result of examination using a crystallization screening kit Detergent Screen ^™ I, II, III of Hampton Research Co., a hexagonal columnar single crystal shown in FIG. 4 was obtained by adding FOS-Choline-9. In addition, Deoxy BigChap, LDAO, ZWITTERGENT 3-12, n-dodecyl-glycine, HEGA-10, HEGA-9, DDMAB, n-octyl-β-D-thiomaltoside, FOS-Choline-10, MEGA-9 A hexagonal columnar single crystal was obtained.

Example 5 Protein Crystallization-Monomer Domain [86-417] and Inhibitor Y-27632
Crystallization screening kits from Hampton Research, crystal screen ^™ and crystal screen 2 ^™ were used to search for crystallization conditions. The concentrated purified protein preparation was mixed so that the absorbance at 280 nm was 10.0 (weight concentration: about 6.56 mg/ml) and the inhibitor Y-27632 was 1 mM, and the buffer [20 mM TrisHCl (pH 8.0 25°C), 100 mM NaCl, 2 mM DTT] and the protein solution diluted from the kit as mother liquor at a ratio of 1:1 and crystallized by vapor diffusion equilibrium method by hanging drop. It was carried out at 20°C. As a result, crystals as shown in FIG. 5 were obtained under the conditions that 1.6 M (NH ₄ ) ₂ SO ₄ , 0.1 M Hepes-Na pH 7.5, and 0.1 M NaCl were used as mother liquors.

Monomer domain [86-417], 1 mM of 20 OD ₂₈₀ (about 13.1 mg/ml) per well solution (mother liquor) of 0.1 M TrisHCl pH7.8, 1.1-1.3 M (NH ₄ ) ₂ SO ₄ The protein solution of Y-27632 and the well solution were mixed at 2 ml: 1 ml, and the crystallization by the vapor diffusion equilibrium method by the hanging drop was set as the optimized condition.

(Example 6) Structural analysis 1 of a single crystal by X-ray crystal diffraction
For crystals, use 25% (w/v) sucrose as the antifreeze condition and use the X-ray generator FR-E and Raxis7 (both manufactured by Rigaku) or the data acquisition device (DIP-2040) in the Spring-8 beamline BL44XU. The diffraction intensity was measured using an imaging plate reader). The obtained data set was integrated and statistically processed by DENZO/Scalepack (software), corrected and averaged and integrated.
Using the obtained data, the initial phase was determined by the molecular replacement method based on the structure of protein kinase A registered with pdb code 1apm. The program molrep included in the program suite CCP4 was used to search for molecules in the molecular replacement method. Initial refinement was performed by simulated annealing in the program CNS. Further, the atomic model construction in Program O and the refinement by the program refmac5 included in the program suite CCP4 were repeated, and the atomic model of R-factor 18.9% and Free R-factor 24.5% was obtained.

The electron density was observed for the polypeptide having the amino acid sequence shown in SEQ ID NO: 10 below. The sequence of SEQ ID NO: 10 is a part of the domain sequence shown in SEQ ID NO: 2 and corresponds to the amino acid sequences 27 to 417 of bovine Rho kinase shown in SEQ ID NO: 1 in the sequence listing.
QRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFCAFQDDKYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLFEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIKQHPFFKNDQWNWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYR (SEQ ID NO: 10)

The results are shown in Table 1.
(Table 1) Coordinate data (1-3137)
No. Amino acid No. xyz OCC B
ATOM 1 N GLN A 27 -21.440 94.476 118.624 1.00 95.00 N
ATOM 2 CA GLN A 27 -21.291 94.302 120.113 1.00 95.00 C
ATOM 3 CB GLN A 27 -22.473 94.970 120.845 1.00 95.00 C
ATOM 4 CG GLN A 27 -22.143 95.575 122.259 1.00 95.00 C
ATOM 5 CD GLN A 27 -22.518 94.647 123.449 1.00 95.00 C
ATOM 6 OE1 GLN A 27 -22.264 93.417 123.429 1.00 95.00 O
ATOM 7 NE2 GLN A 27 -23.118 95.246 124.492 1.00 95.00 N
ATOM 8 C GLN A 27 -21.244 92.801 120.395 1.00 95.00 C
ATOM 9 O GLN A 27 -21.150 92.315 121.531 1.00 95.00 O
ATOM 10 N ARG A 28 -21.230 92.098 119.283 1.00 95.00 N
ATOM 11 CA ARG A 28 -21.778 90.768 119.167 1.00 95.00 C
ATOM 12 CB ARG A 28 -22.610 90.743 117.846 1.00 95.00 C
ATOM 13 CG ARG A 28 -23.259 92.171 117.361 1.00 95.00 C
ATOM 14 CD ARG A 28 -24.546 92.614 118.153 1.00 95.00 C
ATOM 15 NE ARG A 28 -25.382 91.435 118.455 1.00 95.00 N
ATOM 16 CZ ARG A 28 -25.457 90.785 119.640 1.00 95.00 C
ATOM 17 NH1 ARG A 28 -24.776 91.217 120.712 1.00 95.00 N
ATOM 18 NH2 ARG A 28 -26.228 89.689 119.764 1.00 95.00 N
ATOM 19 C ARG A 28 -20.599 89.767 119.191 1.00 95.00 C
ATOM 20 O ARG A 28 -20.352 89.067 120.185 1.00 95.00 O
ATOM 21 N LYS A 29 -19.874 89.754 118.079 1.00 95.00 N
ATOM 22 CA LYS A 29 -18.522 89.195 117.920 1.00 95.00 C
ATOM 23 CB LYS A 29 -17.872 89.971 116.770 1.00 95.00 C
ATOM 24 CG LYS A 29 -18.259 91.452 116.760 1.00 95.00 C
ATOM 25 CD LYS A 29 -18.210 92.045 115.351 1.00 95.00 C
ATOM 26 CE LYS A 29 -19.548 91.924 114.600 1.00 95.00 C
ATOM 27 NZ LYS A 29 -19.508 92.610 113.262 1.00 95.00 N
ATOM 28 C LYS A 29 -17.515 89.185 119.104 1.00 95.00 C
ATOM 29 O LYS A 29 -16.547 88.405 119.103 1.00 95.00 O
ATOM 30 N LEU A 30 -17.711 90.064 120.078 1.00 95.00 N
ATOM 31 CA LEU A 30 -16.705 90.257 121.099 1.00 94.31 C
ATOM 32 CB LEU A 30 -16.816 91.642 121.733 1.00 94.39 C
ATOM 33 CG LEU A 30 -16.904 92.838 120.765 1.00 94.95 C
ATOM 34 CD1 LEU A 30 -16.432 94.116 121.428 1.00 94.28 C
ATOM 35 CD2 LEU A 30 -16.144 92.624 119.466 1.00 94.85 C
ATOM 36 C LEU A 30 -16.754 89.145 122.130 1.00 93.89 C
ATOM 37 O LEU A 30 -15.715 88.691 122.593 1.00 94.14 O
ATOM 38 N GLU A 31 -17.944 88.660 122.466 1.00 93.05 N
ATOM 39 CA GLU A 31 -18.033 87.455 123.303 1.00 92.46 C
ATOM 40 CB GLU A 31 -19.515 87.105 123.640 1.00 93.13 C
ATOM 41 CG GLU A 31 -20.371 88.280 124.299 1.00 95.00 C
ATOM 42 CD GLU A 31 -21.224 89.160 123.284 1.00 95.00 C
ATOM 43 OE1 GLU A 31 -21.972 88.566 122.461 1.00 95.00 O
ATOM 44 OE2 GLU A 31 -21.179 90.431 123.330 1.00 95.00 O
ATOM 45 C GLU A 31 -17.248 86.294 122.602 1.00 91.25 C
ATOM 46 O GLU A 31 -16.953 85.247 123.213 1.00 90.95 O
ATOM 47 N ALA A 32 -16.893 86.539 121.326 1.00 89.50 N
ATOM 48 CA ALA A 32 -16.092 85.634 120.471 1.00 87.68 C
ATOM 49 CB ALA A 32 -16.609 85.642 119.013 1.00 87.62 C
ATOM 50 C ALA A 32 -14.584 85.955 120.502 1.00 86.05 C
ATOM 51 O ALA A 32 -13.780 85.166 121.027 1.00 85.80 O
ATOM 52 N LEU A 33 -14.215 87.099 119.924 1.00 83.54 N
ATOM 53 CA LEU A 33 -12.855 87.620 120.027 1.00 81.12 C
ATOM 54 CB LEU A 33 -12.849 89.087 119.646 1.00 80.84 C
ATOM 55 CG LEU A 33 -13.185 89.308 118.180 1.00 80.87 C
ATOM 56 CD1 LEU A 33 -12.935 90.755 117.775 1.00 80.15 C
ATOM 57 CD2 LEU A 33 -12.381 88.354 117.317 1.00 81.17 C
ATOM 58 C LEU A 33 -12.205 87.429 121.406 1.00 79.55 C
ATOM 59 O LEU A 33 -11.168 86.793 121.539 1.00 79.45 O
ATOM 60 N ILE A 34 -12.829 87.978 122.425 1.00 77.51 N
ATOM 61 CA ILE A 34 -12.403 87.810 123.798 1.00 76.31 C
ATOM 62 CB ILE A 34 -13.522 88.419 124.731 1.00 76.33 C
ATOM 63 CG1 ILE A 34 -13.266 89.905 124.936 1.00 75.28 C
ATOM 64 CD1 ILE A 34 -13.292 90.741 123.622 1.00 74.55 C
ATOM 65 CG2 ILE A 34 -13.776 87.632 126.063 1.00 76.42 C
ATOM 66 C ILE A 34 -12.072 86.345 124.140 1.00 75.91 C
ATOM 67 O ILE A 34 -11.139 86.060 124.920 1.00 75.14 O
ATOM 68 N ARG A 35 -12.841 85.415 123.568 1.00 75.21 N
ATOM 69 CA ARG A 35 -12.735 84.024 124.001 1.00 74.86 C
ATOM 70 CB ARG A 35 -14.102 83.368 124.293 1.00 74.88 C
ATOM 71 CG ARG A 35 -14.075 82.556 125.626 1.00 75.93 C
ATOM 72 CD ARG A 35 -15.486 82.269 126.244 1.00 77.34 C
ATOM 73 NE ARG A 35 -16.519 83.244 125.827 1.00 81.28 N
ATOM 74 CZ ARG A 35 -17.716 83.412 126.406 1.00 80.88 C
ATOM 75 NH1 ARG A 35 -18.083 82.681 127.459 1.00 79.00 N
ATOM 76 NH2 ARG A 35 -18.555 84.323 125.912 1.00 81.06 N
ATOM 77 C ARG A 35 -11.860 83.178 123.092 1.00 73.15 C
ATOM 78 O ARG A 35 -11.362 82.121 123.531 1.00 73.24 O
ATOM 79 N ASP A 36 -11.657 83.654 121.859 1.00 71.06 N
ATOM 80 CA ASP A 36 -10.736 83.020 120.911 1.00 69.79 C
ATOM 81 CB ASP A 36 -10.931 83.583 119.506 1.00 70.26 C
ATOM 82 CG ASP A 36 -10.066 82.851 118.466 1.00 71.33 C
ATOM 83 OD1 ASP A 36 -9.454 81.781 118.771 1.00 70.86 O
ATOM 84 OD2 ASP A 36 -10.015 83.345 117.328 1.00 72.27 O
ATOM 85 C ASP A 36 -9.248 83.158 121.285 1.00 68.29 C
ATOM 86 O ASP A 36 -8.698 84.261 121.246 1.00 68.21 O
ATOM 87 N PRO A 37 -8.588 82.040 121.620 1.00 66.77 N
ATOM 88 CA PRO A 37 -7.179 82.028 122.091 1.00 65.80 C
ATOM 89 CB PRO A 37 -6.952 80.566 122.531 1.00 66.24 C
ATOM 90 CG PRO A 37 -8.314 79.946 122.537 1.00 66.41 C
ATOM 91 CD PRO A 37 -9.170 80.695 121.579 1.00 66.73 C
ATOM 92 C PRO A 37 -6.134 82.444 121.041 1.00 64.02 C
ATOM 93 O PRO A 37 -5.019 82.811 121.389 1.00 62.29 O
ATOM 94 N ARG A 38 -6.534 82.346 119.778 1.00 63.17 N
ATOM 95 CA ARG A 38 -5.808 82.824 118.608 1.00 62.64 C
ATOM 96 CB ARG A 38 -6.455 82.209 117.350 1.00 63.32 C
ATOM 97 CG ARG A 38 -6.265 80.680 117.208 1.00 64.81 C
ATOM 98 CD ARG A 38 -4.756 80.380 117.198 1.00 68.14 C
ATOM 99 NE ARG A 38 -4.354 79.448 116.129 1.00 69.87 N
ATOM 100 CZ ARG A 38 -3.239 79.550 115.381 1.00 69.00 C
ATOM 101 NH1 ARG A 38 -2.379 80.574 115.524 1.00 65.30 N
ATOM 102 NH2 ARG A 38 -2.993 78.613 114.465 1.00 67.33 N
ATOM 103 C ARG A 38 -5.753 84.363 118.479 1.00 61.66 C
ATOM 104 O ARG A 38 -4.715 84.914 118.158 1.00 61.77 O
ATOM 105 N SER A 39 -6.872 85.041 118.717 1.00 60.70 N
ATOM 106 CA SER A 39 -6.968 86.506 118.737 1.00 60.23 C
ATOM 107 CB SER A 39 -8.282 86.928 119.410 1.00 60.06 C
ATOM 108 OG SER A 39 -8.699 88.194 118.928 1.00 59.11 O
ATOM 109 C SER A 39 -5.826 87.278 119.426 1.00 60.32 C
ATOM 110 O SER A 39 -5.351 86.920 120.492 1.00 60.02 O
ATOM 111 N PRO A 40 -5.399 88.383 118.827 1.00 60.50 N
ATOM 112 CA PRO A 40 -4.498 89.243 119.596 1.00 60.00 C
ATOM 113 CB PRO A 40 -4.023 90.238 118.559 1.00 59.84 C
ATOM 114 CG PRO A 40 -5.113 90.256 117.532 1.00 60.07 C
ATOM 115 CD PRO A 40 -5.661 88.895 117.471 1.00 60.33 C
ATOM 116 C PRO A 40 -5.180 89.959 120.774 1.00 59.92 C
ATOM 117 O PRO A 40 -4.488 90.449 121.692 1.00 59.99 O
ATOM 118 N ILE A 41 -6.518 90.031 120.775 1.00 59.18 N
ATOM 119 CA ILE A 41 -7.166 90.721 121.890 1.00 58.21 C
ATOM 120 CB ILE A 41 -7.869 92.094 121.508 1.00 57.81 C
ATOM 121 CG1 ILE A 41 -9.071 91.867 120.626 1.00 60.41 C
ATOM 122 CD1 ILE A 41 -10.325 91.477 121.379 1.00 61.81 C
ATOM 123 CG2 ILE A 41 -6.951 93.021 120.795 1.00 58.25 C
ATOM 124 C ILE A 41 -8.078 89.875 122.753 1.00 56.52 C
ATOM 125 O ILE A 41 -9.127 90.300 123.161 1.00 58.21 O
ATOM 126 N ASN A 42 -7.676 88.698 123.120 1.00 54.24 N
ATOM 127 CA ASN A 42 -8.512 88.005 124.038 1.00 51.79 C
ATOM 128 CB ASN A 42 -8.230 86.544 123.900 1.00 52.32 C
ATOM 129 CG ASN A 42 -6.796 86.265 124.047 1.00 50.87 C
ATOM 130 OD1 ASN A 42 -6.281 86.147 125.159 1.00 51.56 O
ATOM 131 ND2 ASN A 42 -6.120 86.177 122.930 1.00 50.58 N
ATOM 132 C ASN A 42 -8.207 88.456 125.447 1.00 50.87 C
ATOM 133 O ASN A 42 -7.472 89.414 125.642 1.00 51.76 O
ATOM 134 N VAL A 43 -8.712 87.711 126.426 1.00 49.14 N
ATOM 135 CA VAL A 43 -8.778 88.173 127.784 1.00 49.12 C
ATOM 136 CB VAL A 43 -9.550 87.209 128.750 1.00 49.30 C
ATOM 137 CG1 VAL A 43 -9.994 87.983 129.948 1.00 49.21 C
ATOM 138 CG2 VAL A 43 -10.737 86.551 128.092 1.00 52.12 C
ATOM 139 C VAL A 43 -7.402 88.275 128.380 1.00 48.15 C
ATOM 140 O VAL A 43 -7.132 89.193 129.138 1.00 48.50 O
ATOM 141 N GLU A 44 -6.574 87.277 128.110 1.00 46.93 N
ATOM 142 CA GLU A 44 -5.308 87.173 128.772 1.00 45.98 C
ATOM 143 CB GLU A 44 -4.691 85.811 128.548 1.00 46.40 C
ATOM 144 CG GLU A 44 -5.475 84.634 129.198 1.00 51.59 C
ATOM 145 CD GLU A 44 -5.363 84.594 130.755 1.00 59.83 C
ATOM 146 OE1 GLU A 44 -5.885 83.605 131.390 1.00 59.06 O
ATOM 147 OE2 GLU A 44 -4.763 85.565 131.330 1.00 59.23 O
ATOM 148 C GLU A 44 -4.436 88.263 128.229 1.00 44.88 C
ATOM 149 O GLU A 44 -3.609 88.790 128.955 1.00 46.15 O
ATOM 150 N SER A 45 -4.645 88.638 126.977 1.00 43.26 N
ATOM 151 CA SER A 45 -3.955 89.750 126.421 1.00 43.65 C
ATOM 152 CB SER A 45 -4.153 89.812 124.935 1.00 43.23 C
ATOM 153 OG SER A 45 -3.415 88.742 124.425 1.00 49.48 O
ATOM 154 C SER A 45 -4.400 91.064 126.960 1.00 43.77 C
ATOM 155 O SER A 45 -3.575 91.977 127.040 1.00 44.08 O
ATOM 156 N LEU A 46 -5.706 91.194 127.235 1.00 43.36 N
ATOM 157 CA LEU A 46 -6.260 92.469 127.686 1.00 42.42 C
ATOM 158 CB LEU A 46 -7.767 92.447 127.619 1.00 40.25 C
ATOM 159 CG LEU A 46 -8.359 92.512 126.227 1.00 40.47 C
ATOM 160 CD1 LEU A 46 -9.837 92.136 126.251 1.00 41.20 C
ATOM 161 CD2 LEU A 46 -8.237 93.868 125.598 1.00 35.31 C
ATOM 162 C LEU A 46 -5.737 92.720 129.111 1.00 42.18 C
ATOM 163 O LEU A 46 -5.320 93.837 129.452 1.00 42.29 O
ATOM 164 N LEU A 47 -5.668 91.659 129.906 1.00 41.00 N
ATOM 165 CA LEU A 47 -5.005 91.734 131.181 1.00 40.65 C
ATOM 166 CB LEU A 47 -5.206 90.444 131.936 1.00 40.45 C
ATOM 167 CG LEU A 47 -6.633 90.159 132.354 1.00 37.90 C
ATOM 168 CD1 LEU A 47 -6.735 88.826 133.080 1.00 39.51 C
ATOM 169 CD2 LEU A 47 -7.103 91.223 133.277 1.00 38.44 C
ATOM 170 C LEU A 47 -3.513 92.006 131.125 1.00 42.64 C
ATOM 171 O LEU A 47 -2.961 92.651 132.048 1.00 43.44 O
ATOM 172 N ASP A 48 -2.812 91.490 130.115 1.00 42.84 N
ATOM 173 CA ASP A 48 -1.375 91.725 130.079 1.00 43.34 C
ATOM 174 CB ASP A 48 -0.613 91.042 128.914 1.00 43.60 C
ATOM 175 CG ASP A 48 -0.485 89.515 129.017 1.00 43.03 C
ATOM 176 OD1 ASP A 48 -0.392 88.940 130.137 1.00 41.80 O
ATOM 177 OD2 ASP A 48 -0.409 88.905 127.906 1.00 44.04 O
ATOM 178 C ASP A 48 -1.233 93.193 129.869 1.00 43.69 C
ATOM 179 O ASP A 48 -0.407 93.799 130.518 1.00 45.20 O
ATOM 180 N GLY A 49 -2.002 93.759 128.939 1.00 43.93 N
ATOM 181 CA GLY A 49 -1.994 95.197 128.676 1.00 45.20 C
ATOM 182 C GLY A 49 -2.164 95.956 129.992 1.00 47.07 C
ATOM 183 O GLY A 49 -1.275 96.695 130.415 1.00 46.46 O
ATOM 184 N LEU A 50 -3.279 95.706 130.686 1.00 48.35 N
ATOM 185 CA LEU A 50 -3.585 96.468 131.873 1.00 49.76 C
ATOM 186 CB LEU A 50 -4.985 96.219 132.404 1.00 49.18 C
ATOM 187 CG LEU A 50 -5.199 96.787 133.819 1.00 51.80 C
ATOM 188 CD1 LEU A 50 -5.219 98.329 133.892 1.00 51.60 C
ATOM 189 CD2 LEU A 50 -6.445 96.210 134.463 1.00 52.14 C
ATOM 190 C LEU A 50 -2.543 96.305 132.929 1.00 50.28 C
ATOM 191 O LEU A 50 -2.287 97.208 133.673 1.00 52.32 O
ATOM 192 N ASN A 51 -1.871 95.188 132.936 1.00 51.70 N
ATOM 193 CA ASN A 51 -0.843 94.913 133.929 1.00 52.50 C
ATOM 194 CB ASN A 51 -0.729 93.405 134.130 1.00 52.65 C
ATOM 195 CG ASN A 51 0.303 93.050 135.134 1.00 54.60 C
ATOM 196 OD1 ASN A 51 0.033 93.030 136.346 1.00 58.94 O
ATOM 197 ND2 ASN A 51 1.524 92.845 134.665 1.00 50.29 N
ATOM 198 C ASN A 51 0.510 95.429 133.531 1.00 53.15 C
ATOM 199 O ASN A 51 1.374 95.610 134.367 1.00 54.43 O
ATOM 200 N SER A 52 0.736 95.598 132.243 1.00 54.17 N
ATOM 201 CA SER A 52 2.021 96.079 131.759 1.00 54.83 C
ATOM 202 CB SER A 52 2.235 95.668 130.309 1.00 55.40 C
ATOM 203 OG SER A 52 2.558 94.277 130.278 1.00 57.72 O
ATOM 204 C SER A 52 2.047 97.565 131.852 1.00 54.21 C
ATOM 205 O SER A 52 3.084 98.146 132.071 1.00 55.48 O
ATOM 206 N LEU A 53 0.880 98.157 131.659 1.00 53.99 N
ATOM 207 CA LEU A 53 0.648 99.579 131.794 1.00 53.33 C
ATOM 208 CB LEU A 53 -0.812 99.874 131.493 1.00 52.79 C
ATOM 209 CG LEU A 53 -1.222 101.331 131.327 1.00 52.47 C
ATOM 210 CD1 LEU A 53 -0.240 102.018 130.468 1.00 53.20 C
ATOM 211 CD2 LEU A 53 -2.548 101.443 130.671 1.00 52.38 C
ATOM 212 C LEU A 53 0.959 100.018 133.210 1.00 52.97 C
ATOM 213 O LEU A 53 1.683 100.950 133.416 1.00 52.64 O
ATOM 214 N VAL A 54 0.391 99.331 134.183 1.00 53.04 N
ATOM 215 CA VAL A 54 0.624 99.686 135.547 1.00 52.53 C
ATOM 216 CB VAL A 54 -0.259 98.906 136.517 1.00 52.28 C
ATOM 217 CG1 VAL A 54 0.404 98.836 137.902 1.00 52.15 C
ATOM 218 CG2 VAL A 54 -1.627 99.522 136.594 1.00 47.56 C
ATOM 219 C VAL A 54 2.101 99.493 135.824 1.00 53.85 C
ATOM 220 O VAL A 54 2.756 100.451 136.240 1.00 54.45 O
ATOM 221 N LEU A 55 2.652 98.306 135.564 1.00 53.81 N
ATOM 222 CA LEU A 55 4.106 98.177 135.725 1.00 54.56 C
ATOM 223 CB LEU A 55 4.724 96.864 135.218 1.00 53.85 C
ATOM 224 CG LEU A 55 4.430 95.584 136.015 1.00 52.75 C
ATOM 225 CD1 LEU A 55 4.930 94.397 135.257 1.00 51.25 C
ATOM 226 CD2 LEU A 55 4.961 95.570 137.446 1.00 48.80 C
ATOM 227 C LEU A 55 4.845 99.359 135.131 1.00 55.54 C
ATOM 228 O LEU A 55 5.637 99.954 135.840 1.00 56.53 O
ATOM 229 N ASP A 56 4.574 99.731 133.886 1.00 56.14 N
ATOM 230 CA ASP A 56 5.404 100.723 133.211 1.00 57.75 C
ATOM 231 CB ASP A 56 5.230 100.585 131.723 1.00 57.54 C
ATOM 232 CG ASP A 56 6.280 99.699 131.113 1.00 62.50 C
ATOM 233 OD1 ASP A 56 7.115 99.177 131.920 1.00 68.56 O
ATOM 234 OD2 ASP A 56 6.292 99.525 129.856 1.00 62.61 O
ATOM 235 C ASP A 56 5.215 102.199 133.616 1.00 58.72 C
ATOM 236 O ASP A 56 5.899 103.094 133.109 1.00 58.61 O
ATOM 237 N LEU A 57 4.278 102.425 134.523 1.00 60.03 N
ATOM 238 CA LEU A 57 3.800 103.736 134.857 1.00 61.42 C
ATOM 239 CB LEU A 57 2.298 103.814 134.630 1.00 60.43 C
ATOM 240 CG LEU A 57 1.558 104.109 133.341 1.00 56.92 C
ATOM 241 CD1 LEU A 57 0.139 104.278 133.783 1.00 52.60 C
ATOM 242 CD2 LEU A 57 2.039 105.367 132.682 1.00 53.90 C
ATOM 243 C LEU A 57 4.050 104.004 136.329 1.00 63.88 C
ATOM 244 O LEU A 57 4.177 105.143 136.746 1.00 63.94 O
ATOM 245 N ASP A 58 4.105 102.954 137.128 1.00 67.01 N
ATOM 246 CA ASP A 58 4.341 103.133 138.549 1.00 70.13 C
ATOM 247 CB ASP A 58 3.637 102.036 139.354 1.00 70.56 C
ATOM 248 CG ASP A 58 3.710 102.278 140.851 1.00 71.57 C
ATOM 249 OD1 ASP A 58 3.024 103.190 141.386 1.00 72.62 O
ATOM 250 OD2 ASP A 58 4.457 101.535 141.492 1.00 72.61 O
ATOM 251 C ASP A 58 5.833 103.299 138.938 1.00 71.60 C
ATOM 252 O ASP A 58 6.504 102.365 139.356 1.00 71.71 O
ATOM 253 N PHE A 59 6.320 104.523 138.775 1.00 73.88 N
ATOM 254 CA PHE A 59 7.583 104.982 139.345 1.00 75.85 C
ATOM 255 CB PHE A 59 8.616 104.955 138.254 1.00 76.51 C
ATOM 256 CG PHE A 59 8.818 103.620 137.715 1.00 78.12 C
ATOM 257 CD1 PHE A 59 9.429 102.641 138.503 1.00 80.59 C
ATOM 258 CE1 PHE A 59 9.618 101.361 138.021 1.00 81.76 C
ATOM 259 CZ PHE A 59 9.177 101.050 136.729 1.00 80.95 C
ATOM 260 CE2 PHE A 59 8.549 102.031 135.942 1.00 80.63 C
ATOM 261 CD2 PHE A 59 8.369 103.304 136.445 1.00 79.46 C
ATOM 262 C PHE A 59 7.521 106.390 140.011 1.00 76.83 C
ATOM 263 O PHE A 59 6.634 107.193 139.680 1.00 77.00 O
ATOM 264 N PRO A 60 8.434 106.668 140.983 1.00 77.58 N
ATOM 265 CA PRO A 60 8.692 108.018 141.502 1.00 77.36 C
ATOM 266 CB PRO A 60 10.203 107.954 141.823 1.00 77.51 C
ATOM 267 CG PRO A 60 10.383 106.538 142.392 1.00 77.45 C
ATOM 268 CD PRO A 60 9.266 105.675 141.717 1.00 78.20 C
ATOM 269 C PRO A 60 8.402 109.177 140.545 1.00 76.77 C
ATOM 270 O PRO A 60 7.403 109.912 140.714 1.00 76.06 O
ATOM 271 N ALA A 61 9.275 109.324 139.553 1.00 76.56 N
ATOM 272 CA ALA A 61 9.258 110.505 138.697 1.00 76.58 C
ATOM 273 CB ALA A 61 10.556 110.600 137.846 1.00 76.68 C
ATOM 274 C ALA A 61 8.009 110.576 137.825 1.00 76.33 C
ATOM 275 O ALA A 61 7.458 111.650 137.604 1.00 76.33 O
ATOM 276 N LEU A 62 7.551 109.417 137.355 1.00 76.33 N
ATOM 277 CA LEU A 62 6.365 109.336 136.519 1.00 75.32 C
ATOM 278 CB LEU A 62 6.183 107.917 136.007 1.00 74.86 C
ATOM 279 CG LEU A 62 7.094 107.345 134.929 1.00 73.47 C
ATOM 280 CD1 LEU A 62 6.208 106.527 134.068 1.00 70.85 C
ATOM 281 CD2 LEU A 62 7.733 108.413 134.088 1.00 72.99 C
ATOM 282 C LEU A 62 5.120 109.796 137.264 1.00 75.59 C
ATOM 283 O LEU A 62 4.221 110.408 136.672 1.00 75.51 O
ATOM 284 N ARG A 63 5.084 109.518 138.568 1.00 76.15 N
ATOM 285 CA ARG A 63 3.884 109.761 139.401 1.00 76.69 C
ATOM 286 CB ARG A 63 3.854 108.808 140.633 1.00 76.82 C
ATOM 287 CG ARG A 63 3.932 107.277 140.300 1.00 73.98 C
ATOM 288 CD ARG A 63 4.084 106.328 141.541 1.00 74.22 C
ATOM 289 NE ARG A 63 2.852 105.696 142.084 1.00 65.52 N
ATOM 290 CZ ARG A 63 1.626 106.240 142.107 1.00 63.72 C
ATOM 291 NH1 ARG A 63 1.434 107.458 141.610 1.00 61.44 N
ATOM 292 NH2 ARG A 63 0.581 105.572 142.634 1.00 58.97 N
ATOM 293 C ARG A 63 3.700 111.261 139.780 1.00 78.10 C
ATOM 294 O ARG A 63 2.699 111.650 140.403 1.00 78.56 O
ATOM 295 N LYS A 64 4.658 112.097 139.381 1.00 78.85 N
ATOM 296 CA LYS A 64 4.475 113.561 139.425 1.00 79.72 C
ATOM 297 CB LYS A 64 5.840 114.284 139.355 1.00 80.23 C
ATOM 298 CG LYS A 64 6.586 114.310 140.747 1.00 82.71 C
ATOM 299 CD LYS A 64 8.041 113.746 140.730 1.00 84.99 C
ATOM 300 CE LYS A 64 9.017 114.581 139.881 1.00 86.32 C
ATOM 301 NZ LYS A 64 9.070 116.032 140.304 1.00 86.69 N
ATOM 302 C LYS A 64 3.419 114.069 138.396 1.00 79.26 C
ATOM 303 O LYS A 64 2.636 114.976 138.713 1.00 79.65 O
ATOM 304 N ASN A 65 3.370 113.459 137.201 1.00 78.40 N
ATOM 305 CA ASN A 65 2.228 113.611 136.275 1.00 77.09 C
ATOM 306 CB ASN A 65 2.452 112.853 134.943 1.00 76.24 C
ATOM 307 CG ASN A 65 1.284 113.003 133.945 1.00 74.13 C
ATOM 308 OD1 ASN A 65 0.129 112.994 134.324 1.00 72.54 O
ATOM 309 ND2 ASN A 65 1.600 113.092 132.658 1.00 71.91 N
ATOM 310 C ASN A 65 1.050 113.053 137.036 1.00 77.39 C
ATOM 311 O ASN A 65 1.218 112.165 137.893 1.00 77.41 O
ATOM 312 N LYS A 66 -0.132 113.587 136.749 1.00 77.23 N
ATOM 313 CA LYS A 66 -1.292 113.311 137.572 1.00 77.12 C
ATOM 314 CB LYS A 66 -1.759 114.591 138.261 1.00 77.96 C
ATOM 315 CG LYS A 66 -1.297 114.647 139.713 1.00 79.21 C
ATOM 316 CD LYS A 66 -0.418 115.865 140.016 1.00 82.36 C
ATOM 317 CE LYS A 66 0.167 115.793 141.444 1.00 82.88 C
ATOM 318 NZ LYS A 66 0.272 117.168 142.073 1.00 85.12 N
ATOM 319 C LYS A 66 -2.415 112.550 136.864 1.00 76.73 C
ATOM 320 O LYS A 66 -3.218 111.878 137.529 1.00 77.48 O
ATOM 321 N ASN A 67 -2.445 112.630 135.531 1.00 75.14 N
ATOM 322 CA ASN A 67 -3.139 111.669 134.691 1.00 73.19 C
ATOM 323 CB ASN A 67 -2.766 111.922 133.256 1.00 72.79 C
ATOM 324 CG ASN A 67 -3.585 112.964 132.671 1.00 71.09 C
ATOM 325 OD1 ASN A 67 -4.340 113.581 133.398 1.00 69.49 O
ATOM 326 ND2 ASN A 67 -3.497 113.171 131.343 1.00 68.93 N
ATOM 327 C ASN A 67 -2.737 110.245 135.029 1.00 72.97 C
ATOM 328 O ASN A 67 -3.572 109.334 135.075 1.00 72.60 O
ATOM 329 N ILE A 68 -1.435 110.078 135.239 1.00 72.32 N
ATOM 330 CA ILE A 68 -0.842 108.849 135.704 1.00 71.60 C
ATOM 331 CB ILE A 68 0.673 108.931 135.641 1.00 71.14 C
ATOM 332 CG1 ILE A 68 1.092 108.947 134.159 1.00 70.26 C
ATOM 333 CD1 ILE A 68 2.541 109.203 133.885 1.00 68.24 C
ATOM 334 CG2 ILE A 68 1.288 107.809 136.447 1.00 69.09 C
ATOM 335 C ILE A 68 -1.351 108.605 137.106 1.00 72.62 C
ATOM 336 O ILE A 68 -2.413 107.988 137.239 1.00 73.04 O
ATOM 337 N ASP A 69 -0.646 109.139 138.128 1.00 73.28 N
ATOM 338 CA ASP A 69 -0.986 108.991 139.567 1.00 72.62 C
ATOM 339 CB ASP A 69 -0.471 110.155 140.428 1.00 73.46 C
ATOM 340 CG ASP A 69 -0.305 109.769 141.954 1.00 75.99 C
ATOM 341 OD1 ASP A 69 -1.311 109.467 142.648 1.00 78.17 O
ATOM 342 OD2 ASP A 69 0.845 109.783 142.480 1.00 75.37 O
ATOM 343 C ASP A 69 -2.463 108.798 139.833 1.00 71.77 C
ATOM 344 O ASP A 69 -2.799 108.014 140.718 1.00 72.27 O
ATOM 345 N ASN A 70 -3.345 109.459 139.081 1.00 69.86 N
ATOM 346 CA ASN A 70 -4.773 109.197 139.269 1.00 69.23 C
ATOM 347 CB ASN A 70 -5.631 110.136 138.410 1.00 70.08 C
ATOM 348 CG ASN A 70 -6.191 109.447 137.143 1.00 74.24 C
ATOM 349 OD1 ASN A 70 -7.051 108.537 137.235 1.00 76.89 O
ATOM 350 ND2 ASN A 70 -5.717 109.884 135.953 1.00 77.46 N
ATOM 351 C ASN A 70 -5.129 107.730 138.979 1.00 67.52 C
ATOM 352 O ASN A 70 -5.499 106.970 139.890 1.00 67.33 O
ATOM 353 N PHE A 71 -5.039 107.387 137.682 1.00 65.00 N
ATOM 354 CA PHE A 71 -5.258 106.070 137.112 1.00 61.57 C
ATOM 355 CB PHE A 71 -4.770 106.068 135.657 1.00 59.66 C
ATOM 356 CG PHE A 71 -4.475 104.711 135.151 1.00 56.58 C
ATOM 357 CD1 PHE A 71 -5.481 103.946 134.563 1.00 52.66 C
ATOM 358 CE1 PHE A 71 -5.223 102.669 134.151 1.00 51.48 C
ATOM 359 CZ PHE A 71 -3.941 102.113 134.333 1.00 51.40 C
ATOM 360 CE2 PHE A 71 -2.953 102.844 134.947 1.00 50.08 C
ATOM 361 CD2 PHE A 71 -3.217 104.141 135.357 1.00 51.24 C
ATOM 362 C PHE A 71 -4.520 105.002 137.913 1.00 61.26 C
ATOM 363 O PHE A 71 -5.067 103.952 138.190 1.00 61.02 O
ATOM 364 N LEU A 72 -3.276 105.266 138.269 1.00 61.01 N
ATOM 365 CA LEU A 72 -2.572 104.376 139.129 1.00 62.11 C
ATOM 366 CB LEU A 72 -1.173 104.904 139.377 1.00 61.17 C
ATOM 367 CG LEU A 72 -0.152 104.383 138.383 1.00 62.54 C
ATOM 368 CD1 LEU A 72 1.301 104.749 138.745 1.00 62.14 C
ATOM 369 CD2 LEU A 72 -0.280 102.859 138.258 1.00 62.33 C
ATOM 370 C LEU A 72 -3.344 104.209 140.435 1.00 63.64 C
ATOM 371 O LEU A 72 -3.367 103.141 141.039 1.00 64.19 O
ATOM 372 N ASN A 73 -3.984 105.274 140.897 1.00 65.28 N
ATOM 373 CA ASN A 73 -4.702 105.175 142.165 1.00 65.81 C
ATOM 374 CB ASN A 73 -5.154 106.533 142.702 1.00 66.02 C
ATOM 375 CG ASN A 73 -4.021 107.311 143.352 1.00 67.99 C
ATOM 376 OD1 ASN A 73 -3.019 106.737 143.850 1.00 67.55 O
ATOM 377 ND2 ASN A 73 -4.166 108.642 143.348 1.00 65.94 N
ATOM 378 C ASN A 73 -5.878 104.264 141.992 1.00 65.48 C
ATOM 379 O ASN A 73 -6.061 103.382 142.806 1.00 67.51 O
ATOM 380 N ARG A 74 -6.653 104.454 140.934 1.00 63.87 N
ATOM 381 CA ARG A 74 -7.834 103.644 140.701 1.00 62.66 C
ATOM 382 CB ARG A 74 -8.571 104.155 139.478 1.00 62.23 C
ATOM 383 CG ARG A 74 -8.693 105.616 139.509 1.00 61.77 C
ATOM 384 CD ARG A 74 -9.739 106.078 138.551 1.00 62.46 C
ATOM 385 NE ARG A 74 -9.236 106.212 137.173 1.00 60.33 N
ATOM 386 CZ ARG A 74 -9.707 105.505 136.139 1.00 60.38 C
ATOM 387 NH1 ARG A 74 -10.699 104.599 136.354 1.00 59.72 N
ATOM 388 NH2 ARG A 74 -9.210 105.713 134.900 1.00 54.52 N
ATOM 389 C ARG A 74 -7.573 102.151 140.502 1.00 62.16 C
ATOM 390 O ARG A 74 -8.368 101.308 140.938 1.00 61.87 O
ATOM 391 N TYR A 75 -6.484 101.832 139.809 1.00 60.83 N
ATOM 392 CA TYR A 75 -6.314 100.506 139.273 1.00 59.30 C
ATOM 393 CB TYR A 75 -6.045 100.538 137.766 1.00 57.17 C
ATOM 394 CG TYR A 75 -7.300 100.614 136.958 1.00 52.85 C
ATOM 395 CD1 TYR A 75 -7.728 101.799 136.390 1.00 51.10 C
ATOM 396 CE1 TYR A 75 -8.902 101.870 135.645 1.00 45.91 C
ATOM 397 CZ TYR A 75 -9.661 100.747 135.507 1.00 51.13 C
ATOM 398 OH TYR A 75 -10.867 100.745 134.790 1.00 52.60 O
ATOM 399 CE2 TYR A 75 -9.244 99.572 136.087 1.00 49.99 C
ATOM 400 CD2 TYR A 75 -8.082 99.518 136.797 1.00 50.81 C
ATOM 401 C TYR A 75 -5.244 99.750 139.977 1.00 61.02 C
ATOM 402 O TYR A 75 -5.190 98.539 139.879 1.00 61.60 O
ATOM 403 N GLU A 76 -4.386 100.442 140.692 1.00 63.06 N
ATOM 404 CA GLU A 76 -3.243 99.797 141.287 1.00 65.74 C
ATOM 405 CB GLU A 76 -2.382 100.845 141.951 1.00 66.46 C
ATOM 406 CG GLU A 76 -1.094 100.323 142.573 1.00 72.82 C
ATOM 407 CD GLU A 76 -0.020 101.426 142.648 1.00 79.94 C
ATOM 408 OE1 GLU A 76 -0.182 102.390 143.484 1.00 79.52 O
ATOM 409 OE2 GLU A 76 0.962 101.311 141.842 1.00 80.45 O
ATOM 410 C GLU A 76 -3.633 98.707 142.294 1.00 66.46 C
ATOM 411 O GLU A 76 -2.958 97.702 142.397 1.00 66.77 O
ATOM 412 N LYS A 77 -4.713 98.894 143.032 1.00 67.41 N
ATOM 413 CA LYS A 77 -5.047 97.946 144.077 1.00 69.00 C
ATOM 414 CB LYS A 77 -6.201 98.506 144.925 1.00 69.96 C
ATOM 415 CG LYS A 77 -5.960 98.611 146.459 1.00 72.48 C
ATOM 416 CD LYS A 77 -7.340 98.931 147.192 1.00 71.54 C
ATOM 417 CE LYS A 77 -7.284 98.741 148.751 1.00 73.37 C
ATOM 418 NZ LYS A 77 -8.517 98.007 149.275 1.00 73.31 N
ATOM 419 C LYS A 77 -5.462 96.614 143.414 1.00 68.05 C
ATOM 420 O LYS A 77 -4.829 95.573 143.611 1.00 67.94 O
ATOM 421 N ILE A 78 -6.538 96.690 142.634 1.00 66.73 N
ATOM 422 CA ILE A 78 -7.116 95.576 141.892 1.00 65.97 C
ATOM 423 CB ILE A 78 -8.407 96.041 141.124 1.00 66.33 C
ATOM 424 CG1 ILE A 78 -8.907 94.983 140.134 1.00 66.46 C
ATOM 425 CD1 ILE A 78 -9.868 93.931 140.767 1.00 66.76 C
ATOM 426 CG2 ILE A 78 -8.222 97.434 140.456 1.00 66.44 C
ATOM 427 C ILE A 78 -6.133 94.836 140.971 1.00 64.90 C
ATOM 428 O ILE A 78 -6.121 93.635 140.943 1.00 64.63 O
ATOM 429 N VAL A 79 -5.306 95.552 140.242 1.00 64.36 N
ATOM 430 CA VAL A 79 -4.212 94.943 139.513 1.00 64.57 C
ATOM 431 CB VAL A 79 -3.505 95.997 138.653 1.00 64.44 C
ATOM 432 CG1 VAL A 79 -2.128 95.547 138.170 1.00 62.65 C
ATOM 433 CG2 VAL A 79 -4.405 96.339 137.487 1.00 63.13 C
ATOM 434 C VAL A 79 -3.222 94.129 140.363 1.00 65.70 C
ATOM 435 O VAL A 79 -2.814 93.039 139.964 1.00 66.24 O
ATOM 436 N LYS A 80 -2.848 94.625 141.535 1.00 66.79 N
ATOM 437 CA LYS A 80 -1.993 93.833 142.414 1.00 68.00 C
ATOM 438 CB LYS A 80 -1.549 94.630 143.667 1.00 69.05 C
ATOM 439 CG LYS A 80 -0.906 96.046 143.462 1.00 72.31 C
ATOM 440 CD LYS A 80 0.505 96.094 142.793 1.00 77.93 C
ATOM 441 CE LYS A 80 1.654 95.511 143.674 1.00 80.43 C
ATOM 442 NZ LYS A 80 1.706 96.005 145.082 1.00 81.66 N
ATOM 443 C LYS A 80 -2.662 92.508 142.849 1.00 67.70 C
ATOM 444 O LYS A 80 -1.985 91.499 143.079 1.00 67.89 O
ATOM 445 N LYS A 81 -3.982 92.512 142.972 1.00 67.26 N
ATOM 446 CA LYS A 81 -4.683 91.340 143.470 1.00 67.46 C
ATOM 447 CB LYS A 81 -6.014 91.764 144.061 1.00 67.80 C
ATOM 448 CG LYS A 81 -7.078 90.691 144.089 1.00 70.40 C
ATOM 449 CD LYS A 81 -8.456 91.343 144.191 1.00 73.95 C
ATOM 450 CE LYS A 81 -9.588 90.321 144.226 1.00 76.46 C
ATOM 451 NZ LYS A 81 -10.531 90.666 145.340 1.00 77.04 N
ATOM 452 C LYS A 81 -4.844 90.247 142.397 1.00 67.02 C
ATOM 453 O LYS A 81 -4.710 89.063 142.692 1.00 67.16 O
ATOM 454 N ILE A 82 -5.149 90.680 141.173 1.00 66.35 N
ATOM 455 CA ILE A 82 -5.134 89.896 139.942 1.00 65.52 C
ATOM 456 CB ILE A 82 -5.470 90.842 138.781 1.00 65.63 C
ATOM 457 CG1 ILE A 82 -6.968 91.012 138.690 1.00 66.32 C
ATOM 458 CD1 ILE A 82 -7.383 92.051 137.632 1.00 67.33 C
ATOM 459 CG2 ILE A 82 -4.909 90.369 137.418 1.00 65.86 C
ATOM 460 C ILE A 82 -3.760 89.297 139.679 1.00 64.99 C
ATOM 461 O ILE A 82 -3.622 88.188 139.169 1.00 64.72 O
ATOM 462 N ARG A 83 -2.734 90.066 139.990 1.00 64.23 N
ATOM 463 CA ARG A 83 -1.387 89.571 139.911 1.00 63.24 C
ATOM 464 CB ARG A 83 -0.412 90.728 140.136 1.00 62.48 C
ATOM 465 CG ARG A 83 0.788 90.585 139.252 1.00 63.66 C
ATOM 466 CD ARG A 83 1.966 91.480 139.620 1.00 65.74 C
ATOM 467 NE ARG A 83 1.930 92.708 138.841 1.00 65.37 N
ATOM 468 CZ ARG A 83 1.700 93.899 139.355 1.00 66.69 C
ATOM 469 NH1 ARG A 83 1.517 94.031 140.657 1.00 70.38 N
ATOM 470 NH2 ARG A 83 1.671 94.958 138.579 1.00 68.13 N
ATOM 471 C ARG A 83 -1.181 88.398 140.909 1.00 62.44 C
ATOM 472 O ARG A 83 -0.375 87.494 140.679 1.00 61.71 O
ATOM 473 N GLY A 84 -1.959 88.396 141.991 1.00 62.30 N
ATOM 474 CA GLY A 84 -1.883 87.332 143.011 1.00 61.93 C
ATOM 475 C GLY A 84 -2.292 86.007 142.413 1.00 61.47 C
ATOM 476 O GLY A 84 -1.827 84.945 142.812 1.00 61.58 O
ATOM 477 N LEU A 85 -3.147 86.095 141.411 1.00 61.01 N
ATOM 478 CA LEU A 85 -3.780 84.925 140.849 1.00 61.08 C
ATOM 479 CB LEU A 85 -5.200 85.256 140.319 1.00 60.93 C
ATOM 480 CG LEU A 85 -6.142 85.994 141.303 1.00 61.08 C
ATOM 481 CD1 LEU A 85 -7.576 85.995 140.845 1.00 60.19 C
ATOM 482 CD2 LEU A 85 -6.042 85.456 142.771 1.00 63.84 C
ATOM 483 C LEU A 85 -2.926 84.404 139.745 1.00 60.90 C
ATOM 484 O LEU A 85 -3.102 83.279 139.320 1.00 61.88 O
ATOM 485 N GLN A 86 -1.995 85.225 139.269 1.00 60.55 N
ATOM 486 CA GLN A 86 -1.209 84.875 138.083 1.00 59.59 C
ATOM 487 CB GLN A 86 -0.359 86.081 137.600 1.00 59.65 C
ATOM 488 CG GLN A 86 0.162 85.975 136.179 1.00 61.61 C
ATOM 489 CD GLN A 86 -0.976 85.649 135.158 1.00 66.10 C
ATOM 490 OE1 GLN A 86 -0.820 84.768 134.285 1.00 63.44 O
ATOM 491 NE2 GLN A 86 -2.127 86.350 135.287 1.00 66.51 N
ATOM 492 C GLN A 86 -0.303 83.710 138.446 1.00 57.99 C
ATOM 493 O GLN A 86 0.217 83.657 139.580 1.00 57.61 O
ATOM 494 N MET A 87 -0.110 82.795 137.498 1.00 56.18 N
ATOM 495 CA MET A 87 0.933 81.783 137.642 1.00 55.08 C
ATOM 496 CB MET A 87 0.886 80.828 136.466 1.00 54.67 C
ATOM 497 CG MET A 87 1.981 79.770 136.498 1.00 55.20 C
ATOM 498 SD MET A 87 1.849 78.505 135.197 1.00 56.25 S
ATOM 499 CE MET A 87 0.180 77.840 135.539 1.00 51.25 C
ATOM 500 C MET A 87 2.349 82.413 137.837 1.00 53.95 C
ATOM 501 O MET A 87 2.646 83.470 137.292 1.00 52.49 O
ATOM 502 N LYS A 88 3.207 81.735 138.594 1.00 53.70 N
ATOM 503 CA LYS A 88 4.400 82.334 139.202 1.00 54.85 C
ATOM 504 CB LYS A 88 4.153 82.683 140.702 1.00 54.10 C
ATOM 505 CG LYS A 88 3.323 83.957 140.926 1.00 57.06 C
ATOM 506 CD LYS A 88 3.210 84.445 142.399 1.00 57.96 C
ATOM 507 CE LYS A 88 1.853 84.056 143.087 1.00 63.62 C
ATOM 508 NZ LYS A 88 1.668 82.580 143.350 1.00 62.13 N
ATOM 509 C LYS A 88 5.534 81.356 139.139 1.00 54.16 C
ATOM 510 O LYS A 88 5.365 80.159 139.324 1.00 53.60 O
ATOM 511 N ALA A 89 6.722 81.876 138.939 1.00 55.03 N
ATOM 512 CA ALA A 89 7.910 81.035 138.982 1.00 55.38 C
ATOM 513 CB ALA A 89 9.172 81.871 138.748 1.00 54.80 C
ATOM 514 C ALA A 89 8.045 80.207 140.268 1.00 56.25 C
ATOM 515 O ALA A 89 8.673 79.138 140.254 1.00 56.89 O
ATOM 516 N GLU A 90 7.499 80.706 141.381 1.00 57.05 N
ATOM 517 CA GLU A 90 7.600 79.970 142.663 1.00 57.66 C
ATOM 518 CB GLU A 90 7.489 80.871 143.913 1.00 58.81 C
ATOM 519 CG GLU A 90 8.215 82.194 143.809 1.00 65.12 C
ATOM 520 CD GLU A 90 7.360 83.232 143.106 1.00 70.34 C
ATOM 521 OE1 GLU A 90 6.247 83.471 143.642 1.00 74.21 O
ATOM 522 OE2 GLU A 90 7.784 83.760 142.031 1.00 69.83 O
ATOM 523 C GLU A 90 6.563 78.863 142.762 1.00 55.77 C
ATOM 524 O GLU A 90 6.679 78.015 143.657 1.00 55.11 O
ATOM 525 N ASP A 91 5.555 78.904 141.884 1.00 53.79 N
ATOM 526 CA ASP A 91 4.707 77.758 141.655 1.00 52.94 C
ATOM 527 CB ASP A 91 3.674 78.033 140.584 1.00 54.09 C
ATOM 528 CG ASP A 91 2.605 78.985 141.035 1.00 55.98 C
ATOM 529 OD1 ASP A 91 2.606 79.312 142.245 1.00 57.87 O
ATOM 530 OD2 ASP A 91 1.779 79.390 140.163 1.00 56.52 O
ATOM 531 C ASP A 91 5.486 76.534 141.197 1.00 50.98 C
ATOM 532 O ASP A 91 4.912 75.461 141.147 1.00 52.11 O
ATOM 533 N TYR A 92 6.772 76.675 140.891 1.00 47.89 N
ATOM 534 CA TYR A 92 7.561 75.546 140.414 1.00 46.26 C
ATOM 535 CB TYR A 92 7.907 75.743 138.911 1.00 44.64 C
ATOM 536 CG TYR A 92 6.725 75.796 137.966 1.00 41.16 C
ATOM 537 CD1 TYR A 92 6.307 74.659 137.281 1.00 39.13 C
ATOM 538 CE1 TYR A 92 5.270 74.683 136.440 1.00 34.28 C
ATOM 539 CZ TYR A 92 4.579 75.835 136.259 1.00 36.48 C
ATOM 540 OH TYR A 92 3.488 75.838 135.404 1.00 41.43 O
ATOM 541 CE2 TYR A 92 4.927 76.978 136.924 1.00 37.20 C
ATOM 542 CD2 TYR A 92 6.020 76.967 137.761 1.00 39.84 C
ATOM 543 C TYR A 92 8.858 75.371 141.191 1.00 46.55 C
ATOM 544 O TYR A 92 9.462 76.365 141.579 1.00 45.95 O
ATOM 545 N ASP A 93 9.282 74.118 141.391 1.00 46.57 N
ATOM 546 CA ASP A 93 10.631 73.788 141.791 1.00 48.49 C
ATOM 547 CB ASP A 93 10.684 72.426 142.466 1.00 50.19 C
ATOM 548 CG ASP A 93 10.079 72.459 143.820 1.00 60.60 C
ATOM 549 OD1 ASP A 93 10.555 73.373 144.599 1.00 66.99 O
ATOM 550 OD2 ASP A 93 9.108 71.623 144.086 1.00 68.18 O
ATOM 551 C ASP A 93 11.560 73.652 140.620 1.00 47.41 C
ATOM 552 O ASP A 93 11.223 72.970 139.682 1.00 47.59 O
ATOM 553 N VAL A 94 12.764 74.206 140.739 1.00 46.40 N
ATOM 554 CA VAL A 94 13.797 74.075 139.729 1.00 45.82 C
ATOM 555 CB VAL A 94 14.701 75.297 139.689 1.00 45.50 C
ATOM 556 CG1 VAL A 94 15.853 75.071 138.721 1.00 47.16 C
ATOM 557 CG2 VAL A 94 13.911 76.517 139.307 1.00 42.90 C
ATOM 558 C VAL A 94 14.624 72.847 140.037 1.00 46.15 C
ATOM 559 O VAL A 94 15.484 72.870 140.922 1.00 46.70 O
ATOM 560 N VAL A 95 14.371 71.764 139.307 1.00 45.13 N
ATOM 561 CA VAL A 95 15.092 70.555 139.560 1.00 43.93 C
ATOM 562 CB VAL A 95 14.430 69.337 138.955 1.00 43.00 C
ATOM 563 CG1 VAL A 95 15.336 68.159 139.134 1.00 40.94 C
ATOM 564 CG2 VAL A 95 13.046 69.093 139.613 1.00 43.67 C
ATOM 565 C VAL A 95 16.522 70.654 139.067 1.00 44.64 C
ATOM 566 O VAL A 95 17.392 70.022 139.639 1.00 45.42 O
ATOM 567 N LYS A 96 16.762 71.395 137.982 1.00 45.07 N
ATOM 568 CA LYS A 96 18.106 71.546 137.391 1.00 44.41 C
ATOM 569 CB LYS A 96 18.938 70.237 137.402 1.00 45.53 C
ATOM 570 CG LYS A 96 19.188 69.577 136.038 1.00 44.81 C
ATOM 571 CD LYS A 96 20.105 68.421 136.191 1.00 49.13 C
ATOM 572 CE LYS A 96 21.516 68.864 136.626 1.00 53.27 C
ATOM 573 NZ LYS A 96 22.611 67.957 136.097 1.00 53.03 N
ATOM 574 C LYS A 96 18.004 72.131 136.004 1.00 44.35 C
ATOM 575 O LYS A 96 16.907 72.125 135.425 1.00 44.47 O
ATOM 576 N VAL A 97 19.147 72.625 135.496 1.00 43.59 N
ATOM 577 CA VAL A 97 19.223 73.333 134.235 1.00 43.29 C
ATOM 578 CB VAL A 97 20.228 74.517 134.282 1.00 44.28 C
ATOM 579 CG1 VAL A 97 20.430 75.128 132.892 1.00 47.47 C
ATOM 580 CG2 VAL A 97 19.734 75.662 135.210 1.00 43.74 C
ATOM 581 C VAL A 97 19.570 72.375 133.121 1.00 42.55 C
ATOM 582 O VAL A 97 20.548 71.602 133.230 1.00 42.90 O
ATOM 583 N ILE A 98 18.788 72.389 132.027 1.00 40.89 N
ATOM 584 CA ILE A 98 19.030 71.362 130.990 1.00 39.07 C
ATOM 585 CB ILE A 98 17.925 70.291 130.925 1.00 37.19 C
ATOM 586 CG1 ILE A 98 16.535 70.957 130.881 1.00 35.85 C
ATOM 587 CD1 ILE A 98 15.441 70.017 130.558 1.00 28.47 C
ATOM 588 CG2 ILE A 98 18.063 69.374 132.080 1.00 33.53 C
ATOM 589 C ILE A 98 19.421 71.875 129.600 1.00 41.08 C
ATOM 590 O ILE A 98 19.864 71.087 128.740 1.00 41.34 O
ATOM 591 N GLY A 99 19.270 73.183 129.400 1.00 41.99 N
ATOM 592 CA GLY A 99 19.542 73.812 128.143 1.00 44.46 C
ATOM 593 C GLY A 99 19.905 75.232 128.448 1.00 47.00 C
ATOM 594 O GLY A 99 19.681 75.733 129.514 1.00 47.69 O
ATOM 595 N ARG A 100 20.505 75.895 127.518 1.00 50.69 N
ATOM 596 CA ARG A 100 20.985 77.199 127.806 1.00 56.23 C
ATOM 597 CB ARG A 100 22.474 77.121 128.148 1.00 56.43 C
ATOM 598 CG ARG A 100 23.310 78.464 128.048 1.00 62.34 C
ATOM 599 CD ARG A 100 24.866 78.221 128.418 1.00 61.38 C
ATOM 600 NE ARG A 100 25.412 76.931 127.908 1.00 68.85 N
ATOM 601 CZ ARG A 100 26.248 76.118 128.584 1.00 72.73 C
ATOM 602 NH1 ARG A 100 26.657 76.409 129.838 1.00 74.52 N
ATOM 603 NH2 ARG A 100 26.684 74.989 128.017 1.00 72.60 N
ATOM 604 C ARG A 100 20.728 77.865 126.499 1.00 56.57 C
ATOM 605 O ARG A 100 21.026 77.312 125.448 1.00 58.92 O
ATOM 606 N GLY A 101 20.097 79.017 126.553 1.00 57.22 N
ATOM 607 CA GLY A 101 19.683 79.695 125.364 1.00 56.85 C
ATOM 608 C GLY A 101 20.360 81.035 125.336 1.00 56.70 C
ATOM 609 O GLY A 101 21.133 81.375 126.233 1.00 56.15 O
ATOM 610 N ALA A 102 20.065 81.800 124.289 1.00 56.89 N
ATOM 611 CA ALA A 102 20.739 83.071 124.107 1.00 56.05 C
ATOM 612 CB ALA A 102 20.501 83.550 122.669 1.00 56.71 C
ATOM 613 C ALA A 102 20.253 84.096 125.165 1.00 55.37 C
ATOM 614 O ALA A 102 21.012 84.980 125.577 1.00 55.45 O
ATOM 615 N PHE A 103 18.992 83.932 125.599 1.00 53.91 N
ATOM 616 CA PHE A 103 18.322 84.844 126.490 1.00 52.36 C
ATOM 617 CB PHE A 103 17.091 85.401 125.788 1.00 53.52 C
ATOM 618 CG PHE A 103 17.439 86.292 124.674 1.00 54.88 C
ATOM 619 CD1 PHE A 103 17.853 87.596 124.930 1.00 57.77 C
ATOM 620 CE1 PHE A 103 18.230 88.453 123.878 1.00 58.84 C
ATOM 621 CZ PHE A 103 18.229 87.973 122.571 1.00 57.80 C
ATOM 622 CE2 PHE A 103 17.811 86.649 122.308 1.00 58.41 C
ATOM 623 CD2 PHE A 103 17.441 85.820 123.367 1.00 57.44 C
ATOM 624 C PHE A 103 17.914 84.268 127.820 1.00 50.85 C
ATOM 625 O PHE A 103 17.262 84.958 128.617 1.00 49.64 O
ATOM 626 N GLY A 104 18.280 83.013 128.062 1.00 49.71 N
ATOM 627 CA GLY A 104 18.007 82.365 129.344 1.00 49.07 C
ATOM 628 C GLY A 104 18.308 80.872 129.362 1.00 48.63 C
ATOM 629 O GLY A 104 19.055 80.397 128.546 1.00 48.39 O
ATOM 630 N GLU A 105 17.778 80.150 130.346 1.00 47.52 N
ATOM 631 CA GLU A 105 17.933 78.705 130.422 1.00 46.87 C
ATOM 632 CB GLU A 105 18.398 78.273 131.827 1.00 45.42 C
ATOM 633 CG GLU A 105 19.246 79.276 132.555 1.00 49.22 C
ATOM 634 CD GLU A 105 19.171 79.111 134.114 1.00 52.26 C
ATOM 635 OE1 GLU A 105 18.025 78.931 134.679 1.00 56.42 O
ATOM 636 OE2 GLU A 105 20.257 79.160 134.780 1.00 54.96 O
ATOM 637 C GLU A 105 16.611 77.970 130.125 1.00 44.61 C
ATOM 638 O GLU A 105 15.504 78.552 130.146 1.00 43.32 O
ATOM 639 N VAL A 106 16.751 76.668 129.897 1.00 42.66 N
ATOM 640 CA VAL A 106 15.636 75.775 129.995 1.00 41.03 C
ATOM 641 CB VAL A 106 15.510 74.902 128.749 1.00 40.97 C
ATOM 642 CG1 VAL A 106 14.264 74.001 128.861 1.00 37.78 C
ATOM 643 CG2 VAL A 106 15.427 75.810 127.520 1.00 39.58 C
ATOM 644 C VAL A 106 15.895 74.953 131.243 1.00 40.55 C
ATOM 645 O VAL A 106 16.941 74.300 131.342 1.00 41.67 O
ATOM 646 N GLN A 107 14.949 75.015 132.182 1.00 38.51 N
ATOM 647 CA GLN A 107 14.995 74.284 133.433 1.00 37.19 C
ATOM 648 CB GLN A 107 14.494 75.189 134.542 1.00 37.42 C
ATOM 649 CG GLN A 107 15.325 76.458 134.613 1.00 36.26 C
ATOM 650 CD GLN A 107 14.844 77.479 135.613 1.00 38.21 C
ATOM 651 OE1 GLN A 107 15.661 78.262 136.130 1.00 41.06 O
ATOM 652 NE2 GLN A 107 13.540 77.487 135.918 1.00 37.72 N
ATOM 653 C GLN A 107 14.143 73.076 133.414 1.00 36.24 C
ATOM 654 O GLN A 107 13.046 73.118 132.887 1.00 36.31 O
ATOM 655 N LEU A 108 14.639 71.985 133.971 1.00 35.19 N
ATOM 656 CA LEU A 108 13.744 70.898 134.356 1.00 35.11 C
ATOM 657 CB LEU A 108 14.517 69.627 134.543 1.00 33.31 C
ATOM 658 CG LEU A 108 13.670 68.405 134.829 1.00 32.95 C
ATOM 659 CD1 LEU A 108 12.734 68.064 133.724 1.00 29.47 C
ATOM 660 CD2 LEU A 108 14.601 67.294 135.002 1.00 29.36 C
ATOM 661 C LEU A 108 13.017 71.285 135.661 1.00 35.95 C
ATOM 662 O LEU A 108 13.668 71.589 136.658 1.00 36.73 O
ATOM 663 N VAL A 109 11.683 71.359 135.637 1.00 36.81 N
ATOM 664 CA VAL A 109 10.911 71.818 136.814 1.00 36.24 C
ATOM 665 CB VAL A 109 10.262 73.226 136.649 1.00 35.49 C
ATOM 666 CG1 VAL A 109 11.329 74.256 136.430 1.00 37.25 C
ATOM 667 CG2 VAL A 109 9.285 73.276 135.542 1.00 31.15 C
ATOM 668 C VAL A 109 9.809 70.849 137.138 1.00 37.21 C
ATOM 669 O VAL A 109 9.397 70.105 136.284 1.00 37.38 O
ATOM 670 N ARG A 110 9.363 70.877 138.399 1.00 38.47 N
ATOM 671 CA ARG A 110 8.192 70.176 138.905 1.00 39.13 C
ATOM 672 CB ARG A 110 8.598 69.295 140.086 1.00 38.40 C
ATOM 673 CG ARG A 110 7.465 68.500 140.792 1.00 38.49 C
ATOM 674 CD ARG A 110 8.145 67.575 141.775 1.00 34.41 C
ATOM 675 NE ARG A 110 8.250 66.224 141.221 1.00 39.98 N
ATOM 676 CZ ARG A 110 9.396 65.572 141.152 1.00 42.98 C
ATOM 677 NH1 ARG A 110 10.498 66.167 141.641 1.00 52.48 N
ATOM 678 NH2 ARG A 110 9.472 64.324 140.682 1.00 42.53 N
ATOM 679 C ARG A 110 7.203 71.246 139.350 1.00 40.53 C
ATOM 680 O ARG A 110 7.565 72.133 140.146 1.00 40.72 O
ATOM 681 N HIS A 111 5.973 71.202 138.842 1.00 41.22 N
ATOM 682 CA HIS A 111 4.943 72.119 139.348 1.00 43.72 C
ATOM 683 CB HIS A 111 3.754 72.127 138.413 1.00 44.74 C
ATOM 684 CG HIS A 111 2.598 72.977 138.858 1.00 49.54 C
ATOM 685 ND1 HIS A 111 1.514 72.461 139.542 1.00 52.68 N
ATOM 686 CE1 HIS A 111 0.633 73.424 139.745 1.00 54.84 C
ATOM 687 NE2 HIS A 111 1.094 74.543 139.212 1.00 54.08 N
ATOM 688 CD2 HIS A 111 2.312 74.284 138.635 1.00 53.77 C
ATOM 689 C HIS A 111 4.579 71.636 140.747 1.00 44.47 C
ATOM 690 O HIS A 111 4.315 70.449 140.959 1.00 44.14 O
ATOM 691 N LYS A 112 4.635 72.545 141.722 1.00 45.30 N
ATOM 692 CA LYS A 112 4.542 72.138 143.139 1.00 45.53 C
ATOM 693 CB LYS A 112 4.874 73.305 144.082 1.00 46.26 C
ATOM 694 CG LYS A 112 6.317 73.539 144.295 1.00 47.01 C
ATOM 695 CD LYS A 112 6.500 74.861 144.987 1.00 50.03 C
ATOM 696 CE LYS A 112 8.013 75.259 145.012 1.00 49.46 C
ATOM 697 NZ LYS A 112 8.177 76.745 145.345 1.00 48.98 N
ATOM 698 C LYS A 112 3.223 71.482 143.557 1.00 44.20 C
ATOM 699 O LYS A 112 3.250 70.467 144.233 1.00 43.85 O
ATOM 700 N ALA A 113 2.100 72.057 143.166 1.00 43.90 N
ATOM 701 CA ALA A 113 0.795 71.517 143.569 1.00 44.11 C
ATOM 702 CB ALA A 113 -0.296 72.510 143.350 1.00 42.96 C
ATOM 703 C ALA A 113 0.465 70.225 142.840 1.00 44.85 C
ATOM 704 O ALA A 113 0.133 69.260 143.497 1.00 45.52 O
ATOM 705 N SER A 114 0.587 70.198 141.509 1.00 44.82 N
ATOM 706 CA SER A 114 0.319 68.990 140.693 1.00 44.55 C
ATOM 707 CB SER A 114 0.178 69.329 139.194 1.00 45.29 C
ATOM 708 OG SER A 114 1.416 69.711 138.642 1.00 43.76 O
ATOM 709 C SER A 114 1.357 67.880 140.816 1.00 45.08 C
ATOM 710 O SER A 114 1.012 66.690 140.649 1.00 45.02 O
ATOM 711 N GLN A 115 2.615 68.266 141.050 1.00 43.80 N
ATOM 712 CA GLN A 115 3.738 67.343 141.124 1.00 44.82 C
ATOM 713 CB GLN A 115 3.412 66.164 141.993 1.00 45.14 C
ATOM 714 CG GLN A 115 2.956 66.481 143.370 1.00 52.47 C
ATOM 715 CD GLN A 115 3.141 65.244 144.245 1.00 60.55 C
ATOM 716 OE1 GLN A 115 4.123 65.174 145.018 1.00 64.20 O
ATOM 717 NE2 GLN A 115 2.264 64.213 144.058 1.00 58.03 N
ATOM 718 C GLN A 115 4.229 66.807 139.764 1.00 43.51 C
ATOM 719 O GLN A 115 5.132 65.938 139.703 1.00 43.46 O
ATOM 720 N LYS A 116 3.646 67.344 138.701 1.00 41.26 N
ATOM 721 CA LYS A 116 4.018 66.983 137.341 1.00 41.15 C
ATOM 722 CB LYS A 116 2.857 67.214 136.394 1.00 40.03 C
ATOM 723 CG LYS A 116 1.641 66.439 136.704 1.00 42.37 C
ATOM 724 CD LYS A 116 0.563 66.844 135.672 1.00 47.19 C
ATOM 725 CE LYS A 116 -0.431 65.723 135.466 1.00 51.06 C
ATOM 726 NZ LYS A 116 -1.656 66.146 134.671 1.00 55.91 N
ATOM 727 C LYS A 116 5.256 67.794 136.887 1.00 39.69 C
ATOM 728 O LYS A 116 5.491 68.890 137.393 1.00 39.87 O
ATOM 729 N VAL A 117 6.010 67.247 135.933 1.00 38.63 N
ATOM 730 CA VAL A 117 7.378 67.696 135.587 1.00 37.57 C
ATOM 731 CB VAL A 117 8.304 66.465 135.618 1.00 37.31 C
ATOM 732 CG1 VAL A 117 9.587 66.670 134.849 1.00 38.39 C
ATOM 733 CG2 VAL A 117 8.593 66.117 137.070 1.00 36.13 C
ATOM 734 C VAL A 117 7.341 68.336 134.202 1.00 36.52 C
ATOM 735 O VAL A 117 6.515 67.974 133.403 1.00 34.34 O
ATOM 736 N TYR A 118 8.162 69.354 133.949 1.00 36.60 N
ATOM 737 CA TYR A 118 8.111 70.029 132.648 1.00 36.83 C
ATOM 738 CB TYR A 118 7.149 71.187 132.676 1.00 36.13 C
ATOM 739 CG TYR A 118 5.784 70.878 133.024 1.00 36.10 C
ATOM 740 CD1 TYR A 118 4.870 70.647 132.038 1.00 37.46 C
ATOM 741 CE1 TYR A 118 3.549 70.331 132.353 1.00 39.78 C
ATOM 742 CZ TYR A 118 3.124 70.327 133.708 1.00 35.96 C
ATOM 743 OH TYR A 118 1.794 70.011 133.976 1.00 35.91 O
ATOM 744 CE2 TYR A 118 4.015 70.623 134.710 1.00 31.74 C
ATOM 745 CD2 TYR A 118 5.352 70.872 134.381 1.00 36.88 C
ATOM 746 C TYR A 118 9.435 70.654 132.287 1.00 36.67 C
ATOM 747 O TYR A 118 10.218 70.985 133.167 1.00 37.49 O
ATOM 748 N ALA A 119 9.676 70.887 131.010 1.00 36.20 N
ATOM 749 CA ALA A 119 10.798 71.762 130.699 1.00 37.63 C
ATOM 750 CB ALA A 119 11.444 71.415 129.384 1.00 35.77 C
ATOM 751 C ALA A 119 10.282 73.203 130.737 1.00 37.62 C
ATOM 752 O ALA A 119 9.182 73.497 130.277 1.00 40.06 O
ATOM 753 N MET A 120 10.995 74.095 131.382 1.00 37.94 N
ATOM 754 CA MET A 120 10.528 75.482 131.386 1.00 38.89 C
ATOM 755 CB MET A 120 10.098 75.928 132.787 1.00 37.84 C
ATOM 756 CG MET A 120 9.554 77.365 132.873 1.00 39.60 C
ATOM 757 SD MET A 120 8.601 77.591 134.435 1.00 42.56 S
ATOM 758 CE MET A 120 10.015 77.841 135.536 1.00 35.99 C
ATOM 759 C MET A 120 11.598 76.363 130.848 1.00 37.92 C
ATOM 760 O MET A 120 12.683 76.427 131.388 1.00 38.02 O
ATOM 761 N LYS A 121 11.287 77.019 129.752 1.00 39.53 N
ATOM 762 CA LYS A 121 12.162 78.000 129.171 1.00 40.29 C
ATOM 763 CB LYS A 121 11.943 78.021 127.656 1.00 40.47 C
ATOM 764 CG LYS A 121 13.001 78.901 126.966 1.00 43.70 C
ATOM 765 CD LYS A 121 12.812 79.155 125.504 1.00 45.26 C
ATOM 766 CE LYS A 121 12.989 77.923 124.646 1.00 47.97 C
ATOM 767 NZ LYS A 121 12.443 78.226 123.283 1.00 49.53 N
ATOM 768 C LYS A 121 11.932 79.409 129.758 1.00 40.63 C
ATOM 769 O LYS A 121 10.804 79.848 129.911 1.00 39.58 O
ATOM 770 N LEU A 122 13.030 80.127 130.005 1.00 42.15 N
ATOM 771 CA LEU A 122 13.035 81.527 130.507 1.00 42.35 C
ATOM 772 CB LEU A 122 13.905 81.618 131.766 1.00 43.31 C
ATOM 773 CG LEU A 122 13.278 81.254 133.111 1.00 44.24 C
ATOM 774 CD1 LEU A 122 13.069 79.795 133.239 1.00 43.65 C
ATOM 775 CD2 LEU A 122 14.244 81.702 134.134 1.00 42.74 C
ATOM 776 C LEU A 122 13.674 82.449 129.516 1.00 41.62 C
ATOM 777 O LEU A 122 14.787 82.184 129.066 1.00 42.53 O
ATOM 778 N LEU A 123 13.011 83.541 129.182 1.00 40.87 N
ATOM 779 CA LEU A 123 13.626 84.559 128.343 1.00 41.04 C
ATOM 780 CB LEU A 123 12.792 84.781 127.091 1.00 40.82 C
ATOM 781 CG LEU A 123 12.597 83.474 126.355 1.00 42.55 C
ATOM 782 CD1 LEU A 123 11.346 83.561 125.464 1.00 44.34 C
ATOM 783 CD2 LEU A 123 13.837 83.204 125.514 1.00 43.49 C
ATOM 784 C LEU A 123 13.699 85.835 129.158 1.00 41.29 C
ATOM 785 O LEU A 123 12.660 86.294 129.642 1.00 40.95 O
ATOM 786 N SER A 124 14.899 86.378 129.376 1.00 42.90 N
ATOM 787 CA SER A 124 15.064 87.684 130.141 1.00 44.85 C
ATOM 788 CB SER A 124 16.533 87.955 130.479 1.00 45.36 C
ATOM 789 OG SER A 124 16.819 89.321 130.748 1.00 46.07 O
ATOM 790 C SER A 124 14.538 88.875 129.371 1.00 45.93 C
ATOM 791 O SER A 124 15.002 89.123 128.219 1.00 46.60 O
ATOM 792 N LYS A 125 13.601 89.614 129.974 1.00 46.61 N
ATOM 793 CA LYS A 125 13.086 90.821 129.307 1.00 48.48 C
ATOM 794 CB LYS A 125 11.894 91.462 130.004 1.00 47.46 C
ATOM 795 CG LYS A 125 10.734 90.579 130.081 1.00 45.19 C
ATOM 796 CD LYS A 125 9.618 91.163 130.893 1.00 43.75 C
ATOM 797 CE LYS A 125 8.328 90.293 130.736 1.00 39.27 C
ATOM 798 NZ LYS A 125 7.103 90.908 131.329 1.00 31.34 N
ATOM 799 C LYS A 125 14.197 91.819 129.100 1.00 50.72 C
ATOM 800 O LYS A 125 14.295 92.413 127.999 1.00 50.49 O
ATOM 801 N PHE A 126 15.070 91.957 130.114 1.00 54.13 N
ATOM 802 CA PHE A 126 16.243 92.823 129.953 1.00 57.52 C
ATOM 803 CB PHE A 126 16.989 93.050 131.264 1.00 59.48 C
ATOM 804 CG PHE A 126 18.132 94.061 131.136 1.00 63.04 C
ATOM 805 CD1 PHE A 126 17.972 95.226 130.346 1.00 67.30 C
ATOM 806 CE1 PHE A 126 19.004 96.176 130.219 1.00 68.14 C
ATOM 807 CZ PHE A 126 20.224 95.938 130.889 1.00 65.67 C
ATOM 808 CE2 PHE A 126 20.383 94.768 131.664 1.00 65.50 C
ATOM 809 CD2 PHE A 126 19.350 93.849 131.778 1.00 64.49 C
ATOM 810 C PHE A 126 17.203 92.411 128.798 1.00 58.29 C
ATOM 811 O PHE A 126 17.454 93.185 127.901 1.00 57.87 O
ATOM 812 N GLU A 127 17.711 91.193 128.785 1.00 59.93 N
ATOM 813 CA GLU A 127 18.505 90.793 127.622 1.00 62.34 C
ATOM 814 CB GLU A 127 18.884 89.310 127.694 1.00 63.53 C
ATOM 815 CG GLU A 127 19.910 89.024 128.807 1.00 69.34 C
ATOM 816 CD GLU A 127 21.088 90.060 128.842 1.00 78.31 C
ATOM 817 OE1 GLU A 127 21.632 90.417 127.746 1.00 79.69 O
ATOM 818 OE2 GLU A 127 21.458 90.514 129.973 1.00 79.28 O
ATOM 819 C GLU A 127 17.880 91.132 126.255 1.00 61.74 C
ATOM 820 O GLU A 127 18.556 91.620 125.356 1.00 62.70 O
ATOM 821 N MET A 128 16.588 90.888 126.115 1.00 61.35 N
ATOM 822 CA MET A 128 15.914 91.026 124.838 1.00 59.57 C
ATOM 823 CB MET A 128 14.517 90.413 124.905 1.00 59.49 C
ATOM 824 CG MET A 128 14.432 88.859 124.890 1.00 57.84 C
ATOM 825 SD MET A 128 12.704 88.230 124.784 1.00 53.97 S
ATOM 826 CE MET A 128 12.264 88.547 126.499 1.00 49.19 C
ATOM 827 C MET A 128 15.811 92.473 124.430 1.00 61.04 C
ATOM 828 O MET A 128 15.934 92.792 123.255 1.00 60.14 O
ATOM 829 N ILE A 129 15.580 93.334 125.417 1.00 62.53 N
ATOM 830 CA ILE A 129 15.401 94.752 125.180 1.00 64.85 C
ATOM 831 CB ILE A 129 14.713 95.420 126.385 1.00 65.56 C
ATOM 832 CG1 ILE A 129 13.227 95.024 126.457 1.00 65.27 C
ATOM 833 CD1 ILE A 129 12.453 95.185 125.109 1.00 65.16 C
ATOM 834 CG2 ILE A 129 14.944 96.948 126.361 1.00 65.98 C
ATOM 835 C ILE A 129 16.737 95.448 124.859 1.00 66.27 C
ATOM 836 O ILE A 129 16.840 96.176 123.845 1.00 66.49 O
ATOM 837 N LYS A 130 17.732 95.214 125.733 1.00 67.39 N
ATOM 838 CA LYS A 130 19.140 95.503 125.482 1.00 67.34 C
ATOM 839 CB LYS A 130 20.044 94.864 126.569 1.00 68.69 C
ATOM 840 CG LYS A 130 21.624 95.004 126.386 1.00 68.66 C
ATOM 841 CD LYS A 130 22.255 93.822 125.549 1.00 72.66 C
ATOM 842 CE LYS A 130 23.533 94.221 124.702 1.00 73.66 C
ATOM 843 NZ LYS A 130 24.862 93.923 125.376 1.00 73.70 N
ATOM 844 C LYS A 130 19.536 95.078 124.071 1.00 67.36 C
ATOM 845 O LYS A 130 19.875 95.929 123.304 1.00 67.84 O
ATOM 846 N ARG A 131 19.507 93.800 123.697 1.00 67.20 N
ATOM 847 CA ARG A 131 19.776 93.455 122.281 1.00 67.74 C
ATOM 848 CB ARG A 131 19.821 91.947 122.102 1.00 68.10 C
ATOM 849 CG ARG A 131 21.196 91.392 121.811 1.00 72.02 C
ATOM 850 CD ARG A 131 21.966 91.081 123.119 1.00 75.34 C
ATOM 851 NE ARG A 131 21.811 89.684 123.537 1.00 75.78 N
ATOM 852 CZ ARG A 131 22.008 89.250 124.781 1.00 77.69 C
ATOM 853 NH1 ARG A 131 22.355 90.105 125.741 1.00 77.38 N
ATOM 854 NH2 ARG A 131 21.839 87.960 125.072 1.00 78.65 N
ATOM 855 C ARG A 131 18.801 93.989 121.205 1.00 67.46 C
ATOM 856 O ARG A 131 18.922 93.600 120.033 1.00 66.78 O
ATOM 857 N SER A 132 17.828 94.827 121.597 1.00 67.68 N
ATOM 858 CA SER A 132 16.632 95.137 120.756 1.00 67.81 C
ATOM 859 CB SER A 132 16.907 96.275 119.720 1.00 69.21 C
ATOM 860 OG SER A 132 17.827 97.267 120.180 1.00 69.79 O
ATOM 861 C SER A 132 16.169 93.867 120.015 1.00 66.49 C
ATOM 862 O SER A 132 16.205 93.796 118.775 1.00 67.37 O
ATOM 863 N ASP A 133 15.820 92.828 120.764 1.00 64.06 N
ATOM 864 CA ASP A 133 15.415 91.573 120.142 1.00 61.26 C
ATOM 865 CB ASP A 133 16.595 90.614 120.024 1.00 61.08 C
ATOM 866 CG ASP A 133 16.402 89.568 118.932 1.00 63.05 C
ATOM 867 OD1 ASP A 133 15.472 89.700 118.125 1.00 66.83 O
ATOM 868 OD2 ASP A 133 17.189 88.592 118.859 1.00 65.93 O
ATOM 869 C ASP A 133 14.274 91.049 121.028 1.00 59.30 C
ATOM 870 O ASP A 133 14.467 90.176 121.912 1.00 58.50 O
ATOM 871 N SER A 134 13.100 91.639 120.792 1.00 55.99 N
ATOM 872 CA SER A 134 11.978 91.557 121.713 1.00 53.65 C
ATOM 873 CB SER A 134 11.810 92.911 122.421 1.00 52.85 C
ATOM 874 OG SER A 134 11.412 93.917 121.504 1.00 49.63 O
ATOM 875 C SER A 134 10.681 91.144 120.965 1.00 53.19 C
ATOM 876 O SER A 134 9.568 91.363 121.450 1.00 53.59 O
ATOM 877 N ALA A 135 10.819 90.594 119.763 1.00 51.52 N
ATOM 878 CA ALA A 135 9.667 90.092 119.066 1.00 50.17 C
ATOM 879 CB ALA A 135 9.062 91.160 118.166 1.00 50.66 C
ATOM 880 C ALA A 135 10.030 88.889 118.257 1.00 49.28 C
ATOM 881 O ALA A 135 9.377 88.623 117.280 1.00 49.73 O
ATOM 882 N PHE A 136 11.054 88.153 118.657 1.00 47.94 N
ATOM 883 CA PHE A 136 11.425 86.954 117.911 1.00 47.03 C
ATOM 884 CB PHE A 136 12.896 86.624 118.111 1.00 47.03 C
ATOM 885 CG PHE A 136 13.260 86.253 119.541 1.00 46.77 C
ATOM 886 CD1 PHE A 136 13.580 87.276 120.489 1.00 47.24 C
ATOM 887 CE1 PHE A 136 13.894 86.927 121.812 1.00 48.68 C
ATOM 888 CZ PHE A 136 13.914 85.537 122.177 1.00 46.29 C
ATOM 889 CE2 PHE A 136 13.626 84.554 121.238 1.00 41.66 C
ATOM 890 CD2 PHE A 136 13.309 84.903 119.936 1.00 44.41 C
ATOM 891 C PHE A 136 10.643 85.696 118.260 1.00 47.04 C
ATOM 892 O PHE A 136 10.738 84.725 117.505 1.00 48.25 O
ATOM 893 N PHE A 137 9.895 85.703 119.383 1.00 45.53 N
ATOM 894 CA PHE A 137 9.331 84.497 120.015 1.00 42.11 C
ATOM 895 CB PHE A 137 9.442 84.662 121.513 1.00 41.66 C
ATOM 896 CG PHE A 137 9.001 86.020 122.005 1.00 40.75 C
ATOM 897 CD1 PHE A 137 7.656 86.302 122.221 1.00 40.73 C
ATOM 898 CE1 PHE A 137 7.269 87.552 122.694 1.00 43.76 C
ATOM 899 CZ PHE A 137 8.225 88.533 122.947 1.00 41.86 C
ATOM 900 CE2 PHE A 137 9.555 88.248 122.738 1.00 38.80 C
ATOM 901 CD2 PHE A 137 9.933 86.997 122.300 1.00 39.13 C
ATOM 902 C PHE A 137 7.856 84.196 119.693 1.00 41.50 C
ATOM 903 O PHE A 137 7.347 83.106 120.061 1.00 39.70 O
ATOM 904 N TRP A 138 7.160 85.153 119.065 1.00 39.07 N
ATOM 905 CA TRP A 138 5.752 84.932 118.656 1.00 37.94 C
ATOM 906 CB TRP A 138 5.166 86.130 117.929 1.00 35.80 C
ATOM 907 CG TRP A 138 5.186 87.345 118.812 1.00 38.28 C
ATOM 908 CD1 TRP A 138 5.965 88.437 118.649 1.00 36.92 C
ATOM 909 NE1 TRP A 138 5.759 89.315 119.677 1.00 38.77 N
ATOM 910 CE2 TRP A 138 4.830 88.817 120.540 1.00 36.76 C
ATOM 911 CD2 TRP A 138 4.463 87.556 120.060 1.00 37.21 C
ATOM 912 CE3 TRP A 138 3.521 86.812 120.783 1.00 37.70 C
ATOM 913 CZ3 TRP A 138 2.987 87.367 121.958 1.00 36.33 C
ATOM 914 CH2 TRP A 138 3.383 88.602 122.401 1.00 36.61 C
ATOM 915 CZ2 TRP A 138 4.317 89.354 121.713 1.00 35.85 C
ATOM 916 C TRP A 138 5.483 83.709 117.847 1.00 38.47 C
ATOM 917 O TRP A 138 4.453 83.065 118.040 1.00 39.82 O
ATOM 918 N GLU A 139 6.368 83.400 116.903 1.00 40.08 N
ATOM 919 CA GLU A 139 6.184 82.266 115.993 1.00 41.12 C
ATOM 920 CB GLU A 139 7.172 82.327 114.818 1.00 42.42 C
ATOM 921 CG GLU A 139 6.848 83.372 113.704 1.00 49.41 C
ATOM 922 CD GLU A 139 5.391 83.224 113.188 1.00 60.66 C
ATOM 923 OE1 GLU A 139 4.896 82.067 113.109 1.00 63.02 O
ATOM 924 OE2 GLU A 139 4.722 84.270 112.895 1.00 65.56 O
ATOM 925 C GLU A 139 6.243 80.915 116.726 1.00 39.96 C
ATOM 926 O GLU A 139 5.406 80.038 116.495 1.00 41.32 O
ATOM 927 N GLU A 140 7.199 80.789 117.638 1.00 38.66 N
ATOM 928 CA GLU A 140 7.405 79.622 118.473 1.00 36.91 C
ATOM 929 CB GLU A 140 8.680 79.845 119.284 1.00 36.45 C
ATOM 930 CG GLU A 140 9.113 78.595 119.949 1.00 37.99 C
ATOM 931 CD GLU A 140 10.427 78.687 120.647 1.00 42.75 C
ATOM 932 OE1 GLU A 140 10.556 79.435 121.654 1.00 47.28 O
ATOM 933 OE2 GLU A 140 11.342 77.956 120.212 1.00 43.87 O
ATOM 934 C GLU A 140 6.265 79.408 119.452 1.00 36.80 C
ATOM 935 O GLU A 140 5.761 78.286 119.647 1.00 36.12 O
ATOM 936 N ARG A 141 5.896 80.483 120.135 1.00 37.26 N
ATOM 937 CA ARG A 141 4.762 80.462 121.033 1.00 37.09 C
ATOM 938 CB ARG A 141 4.543 81.828 121.674 1.00 37.27 C
ATOM 939 CG ARG A 141 3.276 81.947 122.612 1.00 37.25 C
ATOM 940 CD ARG A 141 2.923 83.384 122.678 1.00 37.14 C
ATOM 941 NE ARG A 141 1.728 83.654 123.459 1.00 42.16 N
ATOM 942 CZ ARG A 141 0.473 83.670 122.989 1.00 38.42 C
ATOM 943 NH1 ARG A 141 0.163 83.388 121.743 1.00 29.53 N
ATOM 944 NH2 ARG A 141 -0.488 83.990 123.808 1.00 41.95 N
ATOM 945 C ARG A 141 3.530 79.991 120.273 1.00 37.20 C
ATOM 946 O ARG A 141 2.851 79.113 120.728 1.00 37.30 O
ATOM 947 N ASP A 142 3.268 80.528 119.096 1.00 38.32 N
ATOM 948 CA ASP A 142 2.132 80.058 118.326 1.00 39.72 C
ATOM 949 CB ASP A 142 1.935 80.899 117.073 1.00 41.52 C
ATOM 950 CG ASP A 142 1.232 82.218 117.363 1.00 48.53 C
ATOM 951 OD1 ASP A 142 1.435 82.881 118.449 1.00 53.95 O
ATOM 952 OD2 ASP A 142 0.454 82.596 116.465 1.00 56.48 O
ATOM 953 C ASP A 142 2.238 78.607 117.890 1.00 38.39 C
ATOM 954 O ASP A 142 1.271 77.900 117.941 1.00 37.89 O
ATOM 955 N ILE A 143 3.395 78.191 117.391 1.00 37.42 N
ATOM 956 CA ILE A 143 3.550 76.818 116.904 1.00 35.94 C
ATOM 957 CB ILE A 143 4.877 76.632 116.209 1.00 35.64 C
ATOM 958 CG1 ILE A 143 4.914 77.410 114.913 1.00 34.40 C
ATOM 959 CD1 ILE A 143 6.345 77.676 114.473 1.00 30.75 C
ATOM 960 CG2 ILE A 143 5.152 75.206 115.964 1.00 32.83 C
ATOM 961 C ILE A 143 3.443 75.818 118.042 1.00 35.83 C
ATOM 962 O ILE A 143 2.726 74.845 117.898 1.00 37.77 O
ATOM 963 N MET A 144 4.119 76.040 119.165 1.00 34.44 N
ATOM 964 CA MET A 144 4.047 75.070 120.251 1.00 35.01 C
ATOM 965 CB MET A 144 5.135 75.293 121.282 1.00 33.95 C
ATOM 966 CG MET A 144 6.541 75.255 120.750 1.00 34.66 C
ATOM 967 SD MET A 144 7.743 75.334 122.122 1.00 34.23 S
ATOM 968 CE MET A 144 7.190 76.773 123.034 1.00 41.49 C
ATOM 969 C MET A 144 2.680 75.050 120.972 1.00 36.31 C
ATOM 970 O MET A 144 2.284 74.001 121.528 1.00 38.73 O
ATOM 971 N ALA A 145 1.978 76.178 121.009 1.00 35.76 N
ATOM 972 CA ALA A 145 0.628 76.222 121.569 1.00 35.45 C
ATOM 973 CB ALA A 145 0.222 77.640 121.826 1.00 34.62 C
ATOM 974 C ALA A 145 -0.386 75.591 120.648 1.00 35.67 C
ATOM 975 O ALA A 145 -1.263 74.910 121.151 1.00 36.20 O
ATOM 976 N PHE A 146 -0.289 75.820 119.327 1.00 35.17 N
ATOM 977 CA PHE A 146 -1.409 75.498 118.428 1.00 37.21 C
ATOM 978 CB PHE A 146 -2.084 76.730 117.811 1.00 35.89 C
ATOM 979 CG PHE A 146 -2.391 77.798 118.847 1.00 39.88 C
ATOM 980 CD1 PHE A 146 -3.367 77.557 119.870 1.00 41.27 C
ATOM 981 CE1 PHE A 146 -3.592 78.491 120.891 1.00 39.69 C
ATOM 982 CZ PHE A 146 -2.850 79.731 120.896 1.00 37.31 C
ATOM 983 CE2 PHE A 146 -1.891 80.000 119.887 1.00 35.41 C
ATOM 984 CD2 PHE A 146 -1.668 79.009 118.870 1.00 36.91 C
ATOM 985 C PHE A 146 -1.131 74.436 117.385 1.00 37.89 C
ATOM 986 O PHE A 146 -2.056 73.908 116.807 1.00 38.16 O
ATOM 987 N ALA A 147 0.126 74.062 117.177 1.00 38.52 N
ATOM 988 CA ALA A 147 0.390 72.980 116.179 1.00 37.39 C
ATOM 989 CB ALA A 147 1.827 72.577 116.233 1.00 37.15 C
ATOM 990 C ALA A 147 -0.497 71.749 116.382 1.00 36.91 C
ATOM 991 O ALA A 147 -0.994 71.181 115.429 1.00 37.61 O
ATOM 992 N ASN A 148 -0.676 71.326 117.621 1.00 35.72 N
ATOM 993 CA ASN A 148 -1.373 70.120 117.881 1.00 35.52 C
ATOM 994 CB ASN A 148 -2.914 70.397 117.942 1.00 36.41 C
ATOM 995 CG ASN A 148 -3.298 71.415 119.148 1.00 44.02 C
ATOM 996 OD1 ASN A 148 -2.561 71.572 120.217 1.00 46.77 O
ATOM 997 ND2 ASN A 148 -4.410 72.134 118.953 1.00 45.90 N
ATOM 998 C ASN A 148 -0.878 68.940 117.000 1.00 34.73 C
ATOM 999 O ASN A 148 -1.619 68.328 116.229 1.00 33.03 O
ATOM 1000 N SER A 149 0.423 68.625 117.137 1.00 34.29 N
ATOM 1001 CA SER A 149 1.062 67.616 116.293 1.00 33.18 C
ATOM 1002 CB SER A 149 1.855 68.271 115.144 1.00 34.97 C
ATOM 1003 OG SER A 149 2.891 67.415 114.648 1.00 33.94 O
ATOM 1004 C SER A 149 2.006 66.793 117.083 1.00 32.20 C
ATOM 1005 O SER A 149 2.717 67.341 117.919 1.00 32.80 O
ATOM 1006 N PRO A 150 2.013 65.464 116.863 1.00 30.19 N
ATOM 1007 CA PRO A 150 2.955 64.651 117.635 1.00 29.05 C
ATOM 1008 CB PRO A 150 2.587 63.203 117.222 1.00 29.10 C
ATOM 1009 CG PRO A 150 1.816 63.371 115.974 1.00 30.20 C
ATOM 1010 CD PRO A 150 1.093 64.635 116.081 1.00 28.06 C
ATOM 1011 C PRO A 150 4.436 64.947 117.353 1.00 29.05 C
ATOM 1012 O PRO A 150 5.339 64.434 118.090 1.00 28.82 O
ATOM 1013 N TRP A 151 4.661 65.688 116.270 1.00 27.84 N
ATOM 1014 CA TRP A 151 6.003 66.088 115.805 1.00 28.38 C
ATOM 1015 CB TRP A 151 6.056 66.248 114.311 1.00 25.20 C
ATOM 1016 CG TRP A 151 5.689 65.036 113.610 1.00 23.13 C
ATOM 1017 CD1 TRP A 151 4.620 64.871 112.783 1.00 21.24 C
ATOM 1018 NE1 TRP A 151 4.585 63.614 112.314 1.00 19.01 N
ATOM 1019 CE2 TRP A 151 5.675 62.927 112.796 1.00 22.55 C
ATOM 1020 CD2 TRP A 151 6.357 63.782 113.658 1.00 21.09 C
ATOM 1021 CE3 TRP A 151 7.514 63.315 114.317 1.00 22.97 C
ATOM 1022 CZ3 TRP A 151 7.906 62.020 114.126 1.00 22.42 C
ATOM 1023 CH2 TRP A 151 7.168 61.153 113.264 1.00 24.65 C
ATOM 1024 CZ2 TRP A 151 6.062 61.584 112.597 1.00 23.43 C
ATOM 1025 C TRP A 151 6.571 67.396 116.458 1.00 30.08 C
ATOM 1026 O TRP A 151 7.788 67.647 116.305 1.00 30.37 O
ATOM 1027 N VAL A 152 5.719 68.155 117.191 1.00 29.47 N
ATOM 1028 CA VAL A 152 6.069 69.430 117.823 1.00 28.26 C
ATOM 1029 CB VAL A 152 5.082 70.454 117.334 1.00 28.88 C
ATOM 1030 CG1 VAL A 152 5.421 71.852 117.933 1.00 29.21 C
ATOM 1031 CG2 VAL A 152 5.157 70.510 115.844 1.00 26.62 C
ATOM 1032 C VAL A 152 5.944 69.470 119.356 1.00 28.72 C
ATOM 1033 O VAL A 152 4.851 69.267 119.882 1.00 28.47 O
ATOM 1034 N VAL A 153 7.012 69.815 120.067 1.00 28.58 N
ATOM 1035 CA VAL A 153 6.938 69.950 121.494 1.00 29.56 C
ATOM 1036 CB VAL A 153 8.286 70.412 122.186 1.00 29.25 C
ATOM 1037 CG1 VAL A 153 8.043 70.812 123.593 1.00 29.62 C
ATOM 1038 CG2 VAL A 153 9.190 69.223 122.371 1.00 30.24 C
ATOM 1039 C VAL A 153 5.755 70.815 121.906 1.00 30.32 C
ATOM 1040 O VAL A 153 5.441 71.894 121.264 1.00 29.83 O
ATOM 1041 N GLN A 154 5.088 70.375 122.973 1.00 30.94 N
ATOM 1042 CA GLN A 154 3.798 71.033 123.284 1.00 33.77 C
ATOM 1043 CB GLN A 154 2.847 69.999 123.778 1.00 33.35 C
ATOM 1044 CG GLN A 154 1.497 70.528 124.038 1.00 40.20 C
ATOM 1045 CD GLN A 154 0.536 69.389 124.205 1.00 46.34 C
ATOM 1046 OE1 GLN A 154 0.733 68.477 125.035 1.00 46.03 O
ATOM 1047 NE2 GLN A 154 -0.465 69.391 123.378 1.00 47.78 N
ATOM 1048 C GLN A 154 3.865 72.166 124.303 1.00 32.54 C
ATOM 1049 O GLN A 154 4.393 71.994 125.339 1.00 33.41 O
ATOM 1050 N LEU A 155 3.318 73.329 124.026 1.00 33.46 N
ATOM 1051 CA LEU A 155 3.313 74.347 125.092 1.00 33.62 C
ATOM 1052 CB LEU A 155 3.341 75.723 124.492 1.00 32.89 C
ATOM 1053 CG LEU A 155 3.326 76.927 125.409 1.00 34.38 C
ATOM 1054 CD1 LEU A 155 4.642 77.067 126.045 1.00 32.28 C
ATOM 1055 CD2 LEU A 155 3.013 78.217 124.620 1.00 32.29 C
ATOM 1056 C LEU A 155 2.045 74.214 125.949 1.00 35.27 C
ATOM 1057 O LEU A 155 0.920 74.390 125.438 1.00 34.75 O
ATOM 1058 N PHE A 156 2.230 73.933 127.242 1.00 36.09 N
ATOM 1059 CA PHE A 156 1.136 73.973 128.217 1.00 37.45 C
ATOM 1060 CB PHE A 156 1.475 73.046 129.372 1.00 37.88 C
ATOM 1061 CG PHE A 156 1.604 71.611 128.951 1.00 39.34 C
ATOM 1062 CD1 PHE A 156 0.495 70.889 128.568 1.00 42.11 C
ATOM 1063 CE1 PHE A 156 0.586 69.547 128.196 1.00 42.00 C
ATOM 1064 CZ PHE A 156 1.808 68.931 128.163 1.00 41.22 C
ATOM 1065 CE2 PHE A 156 2.934 69.641 128.511 1.00 44.89 C
ATOM 1066 CD2 PHE A 156 2.839 70.994 128.896 1.00 40.96 C
ATOM 1067 C PHE A 156 0.706 75.363 128.710 1.00 38.41 C
ATOM 1068 O PHE A 156 -0.468 75.704 128.712 1.00 39.75 O
ATOM 1069 N CYS A 157 1.649 76.195 129.098 1.00 39.30 N
ATOM 1070 CA CYS A 157 1.327 77.570 129.303 1.00 39.71 C
ATOM 1071 CB CYS A 157 0.689 77.799 130.668 1.00 41.95 C
ATOM 1072 SG CYS A 157 1.551 77.084 132.059 1.00 47.19 S
ATOM 1073 C CYS A 157 2.522 78.413 129.222 1.00 37.97 C
ATOM 1074 O CYS A 157 3.638 77.922 129.387 1.00 38.28 O
ATOM 1075 N ALA A 158 2.237 79.679 128.942 1.00 37.02 N
ATOM 1076 CA ALA A 158 3.167 80.803 128.921 1.00 37.38 C
ATOM 1077 CB ALA A 158 3.162 81.399 127.535 1.00 36.87 C
ATOM 1078 C ALA A 158 2.739 81.880 129.932 1.00 37.39 C
ATOM 1079 O ALA A 158 1.561 82.186 130.022 1.00 36.27 O
ATOM 1080 N PHE A 159 3.691 82.453 130.665 1.00 37.73 N
ATOM 1081 CA PHE A 159 3.373 83.525 131.596 1.00 39.16 C
ATOM 1082 CB PHE A 159 2.882 83.025 132.981 1.00 38.30 C
ATOM 1083 CG PHE A 159 3.862 82.188 133.723 1.00 35.81 C
ATOM 1084 CD1 PHE A 159 3.939 80.819 133.493 1.00 33.78 C
ATOM 1085 CE1 PHE A 159 4.893 80.006 134.167 1.00 30.46 C
ATOM 1086 CZ PHE A 159 5.731 80.585 135.107 1.00 34.66 C
ATOM 1087 CE2 PHE A 159 5.631 81.969 135.364 1.00 35.20 C
ATOM 1088 CD2 PHE A 159 4.706 82.756 134.665 1.00 34.86 C
ATOM 1089 C PHE A 159 4.511 84.533 131.696 1.00 41.03 C
ATOM 1090 O PHE A 159 5.521 84.374 131.026 1.00 44.31 O
ATOM 1091 N GLN A 160 4.352 85.603 132.462 1.00 41.03 N
ATOM 1092 CA GLN A 160 5.447 86.540 132.585 1.00 40.98 C
ATOM 1093 CB GLN A 160 5.383 87.636 131.527 1.00 39.43 C
ATOM 1094 CG GLN A 160 3.968 88.110 131.226 1.00 38.72 C
ATOM 1095 CD GLN A 160 3.966 89.168 130.144 1.00 39.12 C
ATOM 1096 OE1 GLN A 160 4.917 89.963 130.005 1.00 42.52 O
ATOM 1097 NE2 GLN A 160 2.958 89.144 129.323 1.00 38.57 N
ATOM 1098 C GLN A 160 5.453 87.138 133.967 1.00 41.48 C
ATOM 1099 O GLN A 160 4.430 87.126 134.639 1.00 40.63 O
ATOM 1100 N ASP A 161 6.615 87.617 134.398 1.00 42.16 N
ATOM 1101 CA ASP A 161 6.641 88.582 135.462 1.00 44.45 C
ATOM 1102 CB ASP A 161 7.177 87.972 136.752 1.00 43.96 C
ATOM 1103 CG ASP A 161 8.564 87.439 136.610 1.00 46.12 C
ATOM 1104 OD1 ASP A 161 9.418 88.078 135.975 1.00 47.12 O
ATOM 1105 OD2 ASP A 161 8.821 86.376 137.183 1.00 50.67 O
ATOM 1106 C ASP A 161 7.406 89.814 134.971 1.00 45.59 C
ATOM 1107 O ASP A 161 7.701 89.922 133.788 1.00 46.52 O
ATOM 1108 N ASP A 162 7.703 90.757 135.847 1.00 47.23 N
ATOM 1109 CA ASP A 162 8.383 91.971 135.395 1.00 49.23 C
ATOM 1110 CB ASP A 162 8.478 93.025 136.505 1.00 50.32 C
ATOM 1111 CG ASP A 162 9.371 92.619 137.676 1.00 54.20 C
ATOM 1112 OD1 ASP A 162 9.649 91.407 137.941 1.00 60.89 O
ATOM 1113 OD2 ASP A 162 9.789 93.565 138.375 1.00 59.51 O
ATOM 1114 C ASP A 162 9.718 91.702 134.719 1.00 48.49 C
ATOM 1115 O ASP A 162 10.199 92.507 133.934 1.00 48.19 O
ATOM 1116 N LYS A 163 10.283 90.536 134.984 1.00 48.64 N
ATOM 1117 CA LYS A 163 11.654 90.272 134.575 1.00 48.53 C
ATOM 1118 CB LYS A 163 12.460 89.818 135.781 1.00 48.83 C
ATOM 1119 CG LYS A 163 13.431 90.883 136.309 1.00 52.43 C
ATOM 1120 CD LYS A 163 12.853 91.745 137.420 1.00 56.00 C
ATOM 1121 CE LYS A 163 13.272 91.212 138.789 1.00 61.54 C
ATOM 1122 NZ LYS A 163 14.785 91.130 138.911 1.00 62.82 N
ATOM 1123 C LYS A 163 11.820 89.266 133.428 1.00 48.09 C
ATOM 1124 O LYS A 163 12.749 89.380 132.613 1.00 47.57 O
ATOM 1125 N TYR A 164 10.925 88.273 133.387 1.00 46.98 N
ATOM 1126 CA TYR A 164 11.042 87.133 132.472 1.00 45.45 C
ATOM 1127 CB TYR A 164 11.446 85.897 133.248 1.00 47.37 C
ATOM 1128 CG TYR A 164 12.850 85.961 133.703 1.00 51.45 C
ATOM 1129 CD1 TYR A 164 13.880 85.474 132.873 1.00 56.27 C
ATOM 1130 CE1 TYR A 164 15.222 85.533 133.266 1.00 56.09 C
ATOM 1131 CZ TYR A 164 15.527 86.092 134.506 1.00 55.75 C
ATOM 1132 OH TYR A 164 16.868 86.135 134.884 1.00 56.45 O
ATOM 1133 CE2 TYR A 164 14.506 86.574 135.363 1.00 53.89 C
ATOM 1134 CD2 TYR A 164 13.181 86.498 134.952 1.00 52.41 C
ATOM 1135 C TYR A 164 9.765 86.794 131.810 1.00 42.46 C
ATOM 1136 O TYR A 164 8.707 86.999 132.365 1.00 42.26 O
ATOM 1137 N LEU A 165 9.902 86.232 130.635 1.00 39.70 N
ATOM 1138 CA LEU A 165 8.905 85.421 129.990 1.00 37.80 C
ATOM 1139 CB LEU A 165 9.147 85.503 128.508 1.00 37.50 C
ATOM 1140 CG LEU A 165 8.307 86.429 127.672 1.00 36.51 C
ATOM 1141 CD1 LEU A 165 7.805 87.652 128.453 1.00 31.49 C
ATOM 1142 CD2 LEU A 165 9.071 86.727 126.429 1.00 29.88 C
ATOM 1143 C LEU A 165 9.096 83.949 130.375 1.00 37.60 C
ATOM 1144 O LEU A 165 10.221 83.478 130.406 1.00 36.28 O
ATOM 1145 N TYR A 166 8.015 83.200 130.608 1.00 37.50 N
ATOM 1146 CA TYR A 166 8.181 81.764 130.931 1.00 38.63 C
ATOM 1147 CB TYR A 166 7.709 81.459 132.374 1.00 39.25 C
ATOM 1148 CG TYR A 166 8.434 82.269 133.461 1.00 40.45 C
ATOM 1149 CD1 TYR A 166 9.544 81.740 134.115 1.00 43.17 C
ATOM 1150 CE1 TYR A 166 10.243 82.453 135.056 1.00 41.17 C
ATOM 1151 CZ TYR A 166 9.858 83.732 135.414 1.00 41.43 C
ATOM 1152 OH TYR A 166 10.628 84.392 136.387 1.00 37.39 O
ATOM 1153 CE2 TYR A 166 8.738 84.306 134.797 1.00 41.46 C
ATOM 1154 CD2 TYR A 166 8.037 83.566 133.808 1.00 43.95 C
ATOM 1155 C TYR A 166 7.425 80.908 129.902 1.00 38.63 C
ATOM 1156 O TYR A 166 6.301 81.210 129.579 1.00 40.61 O
ATOM 1157 N MET A 167 8.042 79.867 129.370 1.00 37.79 N
ATOM 1158 CA MET A 167 7.327 78.860 128.613 1.00 37.82 C
ATOM 1159 CB MET A 167 7.896 78.753 127.214 1.00 37.77 C
ATOM 1160 CG MET A 167 7.797 80.030 126.481 1.00 40.09 C
ATOM 1161 SD MET A 167 8.133 79.977 124.723 1.00 42.63 S
ATOM 1162 CE MET A 167 9.886 79.958 124.904 1.00 44.87 C
ATOM 1163 C MET A 167 7.425 77.507 129.272 1.00 36.60 C
ATOM 1164 O MET A 167 8.524 76.960 129.417 1.00 35.25 O
ATOM 1165 N VAL A 168 6.251 76.947 129.631 1.00 36.17 N
ATOM 1166 CA VAL A 168 6.158 75.604 130.215 1.00 33.99 C
ATOM 1167 CB VAL A 168 5.113 75.621 131.307 1.00 35.03 C
ATOM 1168 CG1 VAL A 168 5.021 74.291 132.013 1.00 31.92 C
ATOM 1169 CG2 VAL A 168 5.341 76.795 132.300 1.00 32.89 C
ATOM 1170 C VAL A 168 5.784 74.544 129.129 1.00 33.05 C
ATOM 1171 O VAL A 168 4.721 74.609 128.528 1.00 31.44 O
ATOM 1172 N MET A 169 6.668 73.581 128.887 1.00 32.83 N
ATOM 1173 CA MET A 169 6.550 72.684 127.757 1.00 33.63 C
ATOM 1174 CB MET A 169 7.691 72.959 126.784 1.00 32.59 C
ATOM 1175 CG MET A 169 7.738 74.366 126.206 1.00 35.83 C
ATOM 1176 SD MET A 169 9.366 74.788 125.460 1.00 38.64 S
ATOM 1177 CE MET A 169 10.596 74.757 126.806 1.00 32.30 C
ATOM 1178 C MET A 169 6.627 71.232 128.233 1.00 33.35 C
ATOM 1179 O MET A 169 7.091 70.975 129.321 1.00 34.63 O
ATOM 1180 N GLU A 170 6.269 70.279 127.389 1.00 32.61 N
ATOM 1181 CA GLU A 170 6.537 68.906 127.716 1.00 34.03 C
ATOM 1182 CB GLU A 170 5.830 67.925 126.774 1.00 32.61 C
ATOM 1183 CG GLU A 170 6.160 68.007 125.315 1.00 36.72 C
ATOM 1184 CD GLU A 170 5.260 67.088 124.418 1.00 40.11 C
ATOM 1185 OE1 GLU A 170 4.833 65.968 124.925 1.00 51.21 O
ATOM 1186 OE2 GLU A 170 4.944 67.503 123.242 1.00 39.68 O
ATOM 1187 C GLU A 170 8.011 68.583 127.808 1.00 33.06 C
ATOM 1188 O GLU A 170 8.773 68.838 126.885 1.00 32.77 O
ATOM 1189 N TYR A 171 8.396 67.968 128.922 1.00 31.86 N
ATOM 1190 CA TYR A 171 9.749 67.517 129.094 1.00 31.23 C
ATOM 1191 CB TYR A 171 9.953 67.189 130.563 1.00 31.49 C
ATOM 1192 CG TYR A 171 11.286 66.557 130.834 1.00 31.69 C
ATOM 1193 CD1 TYR A 171 12.447 67.203 130.427 1.00 28.74 C
ATOM 1194 CE1 TYR A 171 13.686 66.654 130.636 1.00 33.49 C
ATOM 1195 CZ TYR A 171 13.785 65.433 131.294 1.00 33.06 C
ATOM 1196 OH TYR A 171 15.065 64.965 131.451 1.00 32.36 O
ATOM 1197 CE2 TYR A 171 12.631 64.738 131.719 1.00 27.85 C
ATOM 1198 CD2 TYR A 171 11.392 65.290 131.445 1.00 29.66 C
ATOM 1199 C TYR A 171 10.130 66.296 128.163 1.00 31.78 C
ATOM 1200 O TYR A 171 9.376 65.330 128.032 1.00 31.36 O
ATOM 1201 N MET A 172 11.275 66.390 127.477 1.00 31.55 N
ATOM 1202 CA MET A 172 11.636 65.416 126.490 1.00 30.69 C
ATOM 1203 CB MET A 172 11.884 66.094 125.159 1.00 30.08 C
ATOM 1204 CG MET A 172 10.754 66.810 124.592 1.00 29.08 C
ATOM 1205 SD MET A 172 9.583 65.694 123.825 1.00 31.08 S
ATOM 1206 CE MET A 172 10.656 65.200 122.478 1.00 34.12 C
ATOM 1207 C MET A 172 12.880 64.652 127.002 1.00 32.03 C
ATOM 1208 O MET A 172 14.053 65.072 126.767 1.00 32.23 O
ATOM 1209 N PRO A 173 12.629 63.548 127.743 1.00 31.28 N
ATOM 1210 CA PRO A 173 13.664 62.953 128.571 1.00 30.65 C
ATOM 1211 CB PRO A 173 12.892 62.012 129.482 1.00 31.31 C
ATOM 1212 CG PRO A 173 11.575 61.809 128.900 1.00 32.04 C
ATOM 1213 CD PRO A 173 11.306 62.924 127.928 1.00 31.18 C
ATOM 1214 C PRO A 173 14.675 62.194 127.792 1.00 30.78 C
ATOM 1215 O PRO A 173 15.766 61.891 128.294 1.00 31.97 O
ATOM 1216 N GLY A 174 14.374 61.906 126.553 1.00 29.43 N
ATOM 1217 CA GLY A 174 15.328 61.200 125.755 1.00 28.17 C
ATOM 1218 C GLY A 174 16.549 61.963 125.323 1.00 28.25 C
ATOM 1219 O GLY A 174 17.432 61.384 124.779 1.00 30.01 O
ATOM 1220 N GLY A 175 16.593 63.266 125.501 1.00 27.70 N
ATOM 1221 CA GLY A 175 17.725 64.058 125.070 1.00 28.01 C
ATOM 1222 C GLY A 175 17.700 64.353 123.593 1.00 29.03 C
ATOM 1223 O GLY A 175 16.895 63.792 122.884 1.00 28.35 O
ATOM 1224 N ASP A 176 18.569 65.259 123.137 1.00 30.29 N
ATOM 1225 CA ASP A 176 18.653 65.558 121.709 1.00 32.28 C
ATOM 1226 CB ASP A 176 19.138 66.989 121.437 1.00 32.89 C
ATOM 1227 CG ASP A 176 20.563 67.229 121.918 1.00 35.08 C
ATOM 1228 OD1 ASP A 176 21.369 66.284 121.846 1.00 42.32 O
ATOM 1229 OD2 ASP A 176 20.900 68.361 122.352 1.00 35.10 O
ATOM 1230 C ASP A 176 19.489 64.589 120.923 1.00 32.79 C
ATOM 1231 O ASP A 176 20.068 63.626 121.455 1.00 33.44 O
ATOM 1232 N LEU A 177 19.500 64.847 119.622 1.00 34.05 N
ATOM 1233 CA LEU A 177 20.223 64.015 118.678 1.00 33.89 C
ATOM 1234 CB LEU A 177 19.570 64.097 117.297 1.00 32.22 C
ATOM 1235 CG LEU A 177 18.543 63.022 117.428 1.00 34.35 C
ATOM 1236 CD1 LEU A 177 17.217 63.550 117.985 1.00 36.53 C
ATOM 1237 CD2 LEU A 177 18.328 62.384 116.178 1.00 38.27 C
ATOM 1238 C LEU A 177 21.742 64.275 118.616 1.00 34.43 C
ATOM 1239 O LEU A 177 22.445 63.412 118.168 1.00 36.29 O
ATOM 1240 N VAL A 178 22.235 65.462 118.988 1.00 34.40 N
ATOM 1241 CA VAL A 178 23.658 65.667 119.204 1.00 35.05 C
ATOM 1242 CB VAL A 178 23.963 67.094 119.729 1.00 35.15 C
ATOM 1243 CG1 VAL A 178 25.368 67.192 120.204 1.00 33.69 C
ATOM 1244 CG2 VAL A 178 23.772 68.133 118.628 1.00 35.23 C
ATOM 1245 C VAL A 178 24.191 64.648 120.214 1.00 36.12 C
ATOM 1246 O VAL A 178 25.223 64.029 120.015 1.00 38.59 O
ATOM 1247 N ASN A 179 23.458 64.438 121.287 1.00 36.75 N
ATOM 1248 CA ASN A 179 23.803 63.461 122.327 1.00 36.11 C
ATOM 1249 CB ASN A 179 22.911 63.747 123.533 1.00 35.38 C
ATOM 1250 CG ASN A 179 23.213 62.868 124.688 1.00 39.11 C
ATOM 1251 OD1 ASN A 179 22.526 61.875 124.913 1.00 38.42 O
ATOM 1252 ND2 ASN A 179 24.257 63.208 125.450 1.00 44.37 N
ATOM 1253 C ASN A 179 23.653 62.024 121.863 1.00 35.66 C
ATOM 1254 O ASN A 179 24.461 61.157 122.193 1.00 37.18 O
ATOM 1255 N LEU A 180 22.618 61.727 121.108 1.00 35.15 N
ATOM 1256 CA LEU A 180 22.489 60.387 120.595 1.00 35.17 C
ATOM 1257 CB LEU A 180 21.215 60.245 119.780 1.00 34.79 C
ATOM 1258 CG LEU A 180 20.916 58.787 119.372 1.00 36.32 C
ATOM 1259 CD1 LEU A 180 19.543 58.440 119.660 1.00 38.06 C
ATOM 1260 CD2 LEU A 180 21.177 58.497 117.918 1.00 35.09 C
ATOM 1261 C LEU A 180 23.692 60.183 119.692 1.00 36.78 C
ATOM 1262 O LEU A 180 24.242 59.135 119.649 1.00 35.51 O
ATOM 1263 N MET A 181 24.119 61.201 118.945 1.00 39.06 N
ATOM 1264 CA MET A 181 25.076 60.882 117.908 1.00 41.01 C
ATOM 1265 CB MET A 181 25.119 61.905 116.785 1.00 40.18 C
ATOM 1266 CG MET A 181 24.149 61.636 115.649 1.00 37.54 C
ATOM 1267 SD MET A 181 24.237 63.018 114.492 1.00 42.64 S
ATOM 1268 CE MET A 181 23.561 64.392 115.438 1.00 37.65 C
ATOM 1269 C MET A 181 26.447 60.644 118.518 1.00 43.23 C
ATOM 1270 O MET A 181 27.193 59.806 117.997 1.00 44.58 O
ATOM 1271 N SER A 182 26.758 61.336 119.620 1.00 44.08 N
ATOM 1272 CA SER A 182 28.008 61.091 120.323 1.00 45.75 C
ATOM 1273 CB SER A 182 28.480 62.314 121.129 1.00 45.79 C
ATOM 1274 OG SER A 182 27.415 62.843 121.873 1.00 49.41 O
ATOM 1275 C SER A 182 27.977 59.833 121.198 1.00 46.34 C
ATOM 1276 O SER A 182 29.023 59.379 121.645 1.00 45.98 O
ATOM 1277 N ASN A 183 26.822 59.226 121.418 1.00 46.54 N
ATOM 1278 CA ASN A 183 26.888 58.027 122.244 1.00 47.44 C
ATOM 1279 CB ASN A 183 25.902 58.037 123.404 1.00 46.54 C
ATOM 1280 CG ASN A 183 26.216 59.108 124.351 1.00 47.44 C
ATOM 1281 OD1 ASN A 183 25.424 60.000 124.617 1.00 50.78 O
ATOM 1282 ND2 ASN A 183 27.427 59.108 124.795 1.00 52.34 N
ATOM 1283 C ASN A 183 26.844 56.750 121.497 1.00 48.01 C
ATOM 1284 O ASN A 183 27.233 55.720 122.051 1.00 50.06 O
ATOM 1285 N TYR A 184 26.379 56.788 120.253 1.00 48.30 N
ATOM 1286 CA TYR A 184 26.290 55.577 119.456 1.00 48.86 C
ATOM 1287 CB TYR A 184 24.840 55.242 119.180 1.00 48.83 C
ATOM 1288 CG TYR A 184 24.067 55.036 120.423 1.00 48.07 C
ATOM 1289 CD1 TYR A 184 23.930 53.764 120.975 1.00 45.97 C
ATOM 1290 CE1 TYR A 184 23.217 53.576 122.169 1.00 47.76 C
ATOM 1291 CZ TYR A 184 22.664 54.690 122.786 1.00 47.45 C
ATOM 1292 OH TYR A 184 21.951 54.577 123.939 1.00 51.17 O
ATOM 1293 CE2 TYR A 184 22.788 55.948 122.239 1.00 46.42 C
ATOM 1294 CD2 TYR A 184 23.506 56.124 121.087 1.00 45.27 C
ATOM 1295 C TYR A 184 27.029 55.680 118.136 1.00 50.28 C
ATOM 1296 O TYR A 184 27.120 56.789 117.542 1.00 49.86 O
ATOM 1297 N ASP A 185 27.544 54.529 117.679 1.00 51.44 N
ATOM 1298 CA ASP A 185 27.798 54.364 116.231 1.00 53.07 C
ATOM 1299 CB ASP A 185 29.034 53.494 115.863 1.00 54.37 C
ATOM 1300 CG ASP A 185 30.316 54.403 115.598 1.00 59.85 C
ATOM 1301 OD1 ASP A 185 31.158 54.561 116.522 1.00 64.72 O
ATOM 1302 OD2 ASP A 185 30.448 55.042 114.505 1.00 63.58 O
ATOM 1303 C ASP A 185 26.507 54.002 115.545 1.00 51.63 C
ATOM 1304 O ASP A 185 25.952 52.922 115.792 1.00 52.51 O
ATOM 1305 N VAL A 186 26.012 54.940 114.728 1.00 49.04 N
ATOM 1306 CA VAL A 186 24.665 54.861 114.163 1.00 45.28 C
ATOM 1307 CB VAL A 186 24.085 56.301 113.921 1.00 44.50 C
ATOM 1308 CG1 VAL A 186 22.680 56.244 113.389 1.00 44.65 C
ATOM 1309 CG2 VAL A 186 24.021 57.039 115.203 1.00 44.67 C
ATOM 1310 C VAL A 186 24.622 54.055 112.877 1.00 43.04 C
ATOM 1311 O VAL A 186 25.169 54.517 111.880 1.00 43.45 O
ATOM 1312 N PRO A 187 23.925 52.895 112.878 1.00 41.06 N
ATOM 1313 CA PRO A 187 23.754 52.144 111.638 1.00 40.49 C
ATOM 1314 CB PRO A 187 23.237 50.772 112.085 1.00 39.35 C
ATOM 1315 CG PRO A 187 22.692 50.976 113.474 1.00 39.04 C
ATOM 1316 CD PRO A 187 23.246 52.257 114.025 1.00 40.92 C
ATOM 1317 C PRO A 187 22.704 52.778 110.775 1.00 41.08 C
ATOM 1318 O PRO A 187 21.868 53.471 111.294 1.00 41.19 O
ATOM 1319 N GLU A 188 22.709 52.444 109.483 1.00 41.24 N
ATOM 1320 CA GLU A 188 21.773 52.970 108.522 1.00 41.71 C
ATOM 1321 CB GLU A 188 22.066 52.394 107.128 1.00 40.25 C
ATOM 1322 CG GLU A 188 23.410 52.853 106.652 1.00 43.63 C
ATOM 1323 CD GLU A 188 23.587 52.784 105.171 1.00 46.16 C
ATOM 1324 OE1 GLU A 188 22.585 52.570 104.454 1.00 50.21 O
ATOM 1325 OE2 GLU A 188 24.730 52.937 104.719 1.00 45.06 O
ATOM 1326 C GLU A 188 20.292 52.785 108.904 1.00 41.50 C
ATOM 1327 O GLU A 188 19.458 53.655 108.577 1.00 41.70 O
ATOM 1328 N LYS A 189 19.997 51.677 109.582 1.00 40.66 N
ATOM 1329 CA LYS A 189 18.658 51.326 110.027 1.00 41.67 C
ATOM 1330 CB LYS A 189 18.730 49.984 110.760 1.00 42.48 C
ATOM 1331 CG LYS A 189 17.395 49.211 110.935 1.00 46.64 C
ATOM 1332 CD LYS A 189 17.436 48.276 112.170 1.00 47.07 C
ATOM 1333 CE LYS A 189 16.060 48.171 112.903 1.00 57.03 C
ATOM 1334 NZ LYS A 189 15.666 46.683 113.160 1.00 59.62 N
ATOM 1335 C LYS A 189 18.136 52.421 110.951 1.00 39.45 C
ATOM 1336 O LYS A 189 17.045 52.936 110.772 1.00 39.36 O
ATOM 1337 N TRP A 190 18.953 52.839 111.906 1.00 37.50 N
ATOM 1338 CA TRP A 190 18.606 54.007 112.728 1.00 35.48 C
ATOM 1339 CB TRP A 190 19.638 54.199 113.829 1.00 34.69 C
ATOM 1340 CG TRP A 190 19.692 53.009 114.709 1.00 34.05 C
ATOM 1341 CD1 TRP A 190 19.194 51.746 114.428 1.00 33.63 C
ATOM 1342 NE1 TRP A 190 19.401 50.910 115.479 1.00 33.27 N
ATOM 1343 CE2 TRP A 190 20.126 51.586 116.427 1.00 35.15 C
ATOM 1344 CD2 TRP A 190 20.285 52.927 115.979 1.00 30.05 C
ATOM 1345 CE3 TRP A 190 20.940 53.844 116.791 1.00 33.80 C
ATOM 1346 CZ3 TRP A 190 21.427 53.430 118.016 1.00 34.89 C
ATOM 1347 CH2 TRP A 190 21.243 52.075 118.450 1.00 36.67 C
ATOM 1348 CZ2 TRP A 190 20.585 51.148 117.671 1.00 33.27 C
ATOM 1349 C TRP A 190 18.487 55.285 111.910 1.00 35.03 C
ATOM 1350 O TRP A 190 17.522 56.026 112.039 1.00 35.01 O
ATOM 1351 N ALA A 191 19.477 55.521 111.049 1.00 33.55 N
ATOM 1352 CA ALA A 191 19.551 56.723 110.296 1.00 31.89 C
ATOM 1353 CB ALA A 191 20.783 56.773 109.565 1.00 30.37 C
ATOM 1354 C ALA A 191 18.352 56.906 109.407 1.00 31.90 C
ATOM 1355 O ALA A 191 17.895 58.036 109.275 1.00 32.91 O
ATOM 1356 N LYS A 192 17.817 55.828 108.830 1.00 32.29 N
ATOM 1357 CA LYS A 192 16.510 55.896 108.117 1.00 32.37 C
ATOM 1358 CB LYS A 192 16.005 54.522 107.673 1.00 32.83 C
ATOM 1359 CG LYS A 192 16.566 54.021 106.440 1.00 35.79 C
ATOM 1360 CD LYS A 192 16.407 52.516 106.370 1.00 37.86 C
ATOM 1361 CE LYS A 192 17.631 51.954 105.671 1.00 37.65 C
ATOM 1362 NZ LYS A 192 17.043 51.002 104.768 1.00 44.61 N
ATOM 1363 C LYS A 192 15.437 56.364 109.079 1.00 32.11 C
ATOM 1364 O LYS A 192 14.653 57.259 108.771 1.00 31.90 O
ATOM 1365 N PHE A 193 15.342 55.695 110.220 1.00 30.08 N
ATOM 1366 CA PHE A 193 14.276 55.996 111.114 1.00 28.34 C
ATOM 1367 CB PHE A 193 14.398 55.111 112.344 1.00 26.71 C
ATOM 1368 CG PHE A 193 13.446 55.469 113.432 1.00 27.01 C
ATOM 1369 CD1 PHE A 193 12.223 54.843 113.512 1.00 27.32 C
ATOM 1370 CE1 PHE A 193 11.312 55.164 114.512 1.00 25.45 C
ATOM 1371 CZ PHE A 193 11.637 56.124 115.484 1.00 25.26 C
ATOM 1372 CE2 PHE A 193 12.857 56.784 115.425 1.00 27.51 C
ATOM 1373 CD2 PHE A 193 13.773 56.433 114.399 1.00 28.57 C
ATOM 1374 C PHE A 193 14.292 57.473 111.471 1.00 27.80 C
ATOM 1375 O PHE A 193 13.283 58.128 111.401 1.00 27.84 O
ATOM 1376 N TYR A 194 15.419 58.003 111.882 1.00 27.48 N
ATOM 1377 CA TYR A 194 15.393 59.349 112.361 1.00 29.81 C
ATOM 1378 CB TYR A 194 16.661 59.682 113.057 1.00 29.98 C
ATOM 1379 CG TYR A 194 16.818 58.926 114.347 1.00 34.87 C
ATOM 1380 CD1 TYR A 194 15.892 59.114 115.429 1.00 34.18 C
ATOM 1381 CE1 TYR A 194 16.025 58.440 116.594 1.00 31.65 C
ATOM 1382 CZ TYR A 194 17.128 57.588 116.754 1.00 34.04 C
ATOM 1383 OH TYR A 194 17.287 56.870 117.934 1.00 35.22 O
ATOM 1384 CE2 TYR A 194 18.054 57.388 115.715 1.00 31.68 C
ATOM 1385 CD2 TYR A 194 17.896 58.038 114.531 1.00 33.05 C
ATOM 1386 C TYR A 194 15.230 60.326 111.239 1.00 31.18 C
ATOM 1387 O TYR A 194 14.531 61.349 111.375 1.00 32.70 O
ATOM 1388 N THR A 195 15.903 60.059 110.124 1.00 30.42 N
ATOM 1389 CA THR A 195 15.646 60.854 108.944 1.00 29.44 C
ATOM 1390 CB THR A 195 16.550 60.450 107.787 1.00 30.08 C
ATOM 1391 OG1 THR A 195 17.932 60.637 108.218 1.00 31.95 O
ATOM 1392 CG2 THR A 195 16.290 61.333 106.637 1.00 28.55 C
ATOM 1393 C THR A 195 14.195 60.905 108.552 1.00 28.06 C
ATOM 1394 O THR A 195 13.684 61.978 108.291 1.00 30.03 O
ATOM 1395 N ALA A 196 13.518 59.781 108.485 1.00 26.49 N
ATOM 1396 CA ALA A 196 12.140 59.771 108.098 1.00 26.59 C
ATOM 1397 CB ALA A 196 11.636 58.430 108.062 1.00 26.04 C
ATOM 1398 C ALA A 196 11.323 60.587 109.124 1.00 28.22 C
ATOM 1399 O ALA A 196 10.395 61.305 108.749 1.00 30.17 O
ATOM 1400 N GLU A 197 11.597 60.453 110.414 1.00 27.13 N
ATOM 1401 CA GLU A 197 10.807 61.219 111.363 1.00 25.96 C
ATOM 1402 CB GLU A 197 11.029 60.770 112.795 1.00 25.10 C
ATOM 1403 CG GLU A 197 10.472 59.373 113.074 1.00 27.52 C
ATOM 1404 CD GLU A 197 10.210 59.109 114.577 1.00 28.15 C
ATOM 1405 OE1 GLU A 197 10.877 59.720 115.445 1.00 29.22 O
ATOM 1406 OE2 GLU A 197 9.392 58.218 114.903 1.00 29.81 O
ATOM 1407 C GLU A 197 11.065 62.735 111.197 1.00 26.30 C
ATOM 1408 O GLU A 197 10.125 63.521 111.380 1.00 25.78 O
ATOM 1409 N VAL A 198 12.290 63.123 110.824 1.00 25.50 N
ATOM 1410 CA VAL A 198 12.613 64.531 110.557 1.00 26.31 C
ATOM 1411 CB VAL A 198 14.141 64.785 110.349 1.00 26.85 C
ATOM 1412 CG1 VAL A 198 14.363 66.268 109.991 1.00 28.20 C
ATOM 1413 CG2 VAL A 198 14.922 64.511 111.633 1.00 24.83 C
ATOM 1414 C VAL A 198 11.878 65.106 109.324 1.00 26.35 C
ATOM 1415 O VAL A 198 11.327 66.244 109.345 1.00 25.95 O
ATOM 1416 N VAL A 199 11.874 64.330 108.261 1.00 25.78 N
ATOM 1417 CA VAL A 199 11.122 64.688 107.094 1.00 25.79 C
ATOM 1418 CB VAL A 199 11.308 63.607 106.005 1.00 27.14 C
ATOM 1419 CG1 VAL A 199 10.194 63.680 104.911 1.00 27.01 C
ATOM 1420 CG2 VAL A 199 12.618 63.759 105.426 1.00 24.55 C
ATOM 1421 C VAL A 199 9.639 64.892 107.458 1.00 24.78 C
ATOM 1422 O VAL A 199 9.015 65.876 107.088 1.00 24.83 O
ATOM 1423 N LEU A 200 9.096 64.010 108.269 1.00 26.27 N
ATOM 1424 CA LEU A 200 7.683 64.135 108.650 1.00 25.70 C
ATOM 1425 CB LEU A 200 7.267 62.851 109.276 1.00 25.78 C
ATOM 1426 CG LEU A 200 6.947 61.644 108.373 1.00 25.65 C
ATOM 1427 CD1 LEU A 200 6.637 60.510 109.223 1.00 24.57 C
ATOM 1428 CD2 LEU A 200 5.707 61.913 107.548 1.00 24.61 C
ATOM 1429 C LEU A 200 7.428 65.307 109.574 1.00 26.96 C
ATOM 1430 O LEU A 200 6.437 66.011 109.430 1.00 28.08 O
ATOM 1431 N ALA A 201 8.347 65.562 110.496 1.00 26.65 N
ATOM 1432 CA ALA A 201 8.205 66.660 111.358 1.00 28.69 C
ATOM 1433 CB ALA A 201 9.278 66.607 112.405 1.00 28.18 C
ATOM 1434 C ALA A 201 8.266 67.956 110.568 1.00 30.70 C
ATOM 1435 O ALA A 201 7.500 68.891 110.803 1.00 33.63 O
ATOM 1436 N LEU A 202 9.148 68.056 109.595 1.00 31.47 N
ATOM 1437 CA LEU A 202 9.190 69.283 108.792 1.00 30.70 C
ATOM 1438 CB LEU A 202 10.477 69.338 108.022 1.00 30.67 C
ATOM 1439 CG LEU A 202 11.757 69.536 108.778 1.00 29.24 C
ATOM 1440 CD1 LEU A 202 12.880 69.172 107.864 1.00 27.54 C
ATOM 1441 CD2 LEU A 202 11.812 70.977 109.153 1.00 27.77 C
ATOM 1442 C LEU A 202 8.052 69.418 107.810 1.00 31.43 C
ATOM 1443 O LEU A 202 7.623 70.520 107.491 1.00 33.02 O
ATOM 1444 N ASP A 203 7.559 68.321 107.278 1.00 31.43 N
ATOM 1445 CA ASP A 203 6.357 68.428 106.435 1.00 31.79 C
ATOM 1446 CB ASP A 203 6.068 67.092 105.747 1.00 31.25 C
ATOM 1447 CG ASP A 203 4.902 67.198 104.722 1.00 35.42 C
ATOM 1448 OD1 ASP A 203 4.877 68.221 103.952 1.00 31.13 O
ATOM 1449 OD2 ASP A 203 4.020 66.244 104.694 1.00 31.59 O
ATOM 1450 C ASP A 203 5.101 68.987 107.208 1.00 31.19 C
ATOM 1451 O ASP A 203 4.343 69.824 106.717 1.00 31.23 O
ATOM 1452 N ALA A 204 4.922 68.521 108.424 1.00 30.60 N
ATOM 1453 CA ALA A 204 3.960 69.085 109.360 1.00 30.10 C
ATOM 1454 CB ALA A 204 4.105 68.430 110.712 1.00 28.96 C
ATOM 1455 C ALA A 204 4.077 70.601 109.518 1.00 30.33 C
ATOM 1456 O ALA A 204 3.060 71.305 109.389 1.00 31.79 O
ATOM 1457 N ILE A 205 5.292 71.101 109.773 1.00 30.05 N
ATOM 1458 CA ILE A 205 5.566 72.549 109.869 1.00 28.23 C
ATOM 1459 CB ILE A 205 7.010 72.859 110.235 1.00 28.79 C
ATOM 1460 CG1 ILE A 205 7.378 72.290 111.605 1.00 28.54 C
ATOM 1461 CD1 ILE A 205 6.423 72.673 112.648 1.00 29.32 C
ATOM 1462 CG2 ILE A 205 7.248 74.302 110.220 1.00 29.28 C
ATOM 1463 C ILE A 205 5.278 73.279 108.582 1.00 28.58 C
ATOM 1464 O ILE A 205 4.655 74.351 108.647 1.00 29.40 O
ATOM 1465 N HIS A 206 5.660 72.718 107.425 1.00 26.74 N
ATOM 1466 CA HIS A 206 5.435 73.433 106.152 1.00 27.00 C
ATOM 1467 CB HIS A 206 6.089 72.674 104.988 1.00 25.76 C
ATOM 1468 CG HIS A 206 7.580 72.533 105.118 1.00 25.18 C
ATOM 1469 ND1 HIS A 206 8.262 71.448 104.622 1.00 27.01 N
ATOM 1470 CE1 HIS A 206 9.562 71.590 104.858 1.00 25.07 C
ATOM 1471 NE2 HIS A 206 9.735 72.709 105.549 1.00 25.06 N
ATOM 1472 CD2 HIS A 206 8.514 73.320 105.728 1.00 19.26 C
ATOM 1473 C HIS A 206 3.956 73.512 105.879 1.00 29.07 C
ATOM 1474 O HIS A 206 3.381 74.477 105.299 1.00 30.32 O
ATOM 1475 N SER A 207 3.298 72.451 106.244 1.00 29.97 N
ATOM 1476 CA SER A 207 1.927 72.430 105.889 1.00 32.20 C
ATOM 1477 CB SER A 207 1.462 70.983 105.626 1.00 31.84 C
ATOM 1478 OG SER A 207 1.114 70.508 106.890 1.00 35.33 O
ATOM 1479 C SER A 207 1.111 73.296 106.935 1.00 32.74 C
ATOM 1480 O SER A 207 -0.029 73.555 106.744 1.00 30.57 O
ATOM 1481 N MET A 208 1.764 73.842 107.961 1.00 34.69 N
ATOM 1482 CA MET A 208 1.188 74.979 108.689 1.00 36.17 C
ATOM 1483 CB MET A 208 1.607 74.945 110.140 1.00 36.40 C
ATOM 1484 CG MET A 208 1.247 73.655 110.889 1.00 35.78 C
ATOM 1485 SD MET A 208 2.157 73.695 112.475 1.00 44.48 S
ATOM 1486 CE MET A 208 1.807 75.401 113.093 1.00 34.61 C
ATOM 1487 C MET A 208 1.570 76.352 108.122 1.00 35.25 C
ATOM 1488 O MET A 208 1.260 77.401 108.741 1.00 35.92 O
ATOM 1489 N GLY A 209 2.229 76.369 106.959 1.00 33.49 N
ATOM 1490 CA GLY A 209 2.568 77.612 106.332 1.00 31.80 C
ATOM 1491 C GLY A 209 3.916 78.177 106.751 1.00 32.39 C
ATOM 1492 O GLY A 209 4.232 79.340 106.461 1.00 32.28 O
ATOM 1493 N LEU A 210 4.758 77.368 107.370 1.00 31.87 N
ATOM 1494 CA LEU A 210 6.061 77.873 107.814 1.00 32.59 C
ATOM 1495 CB LEU A 210 6.128 77.844 109.344 1.00 33.17 C
ATOM 1496 CG LEU A 210 5.012 78.607 110.069 1.00 34.59 C
ATOM 1497 CD1 LEU A 210 4.416 77.737 111.122 1.00 32.00 C
ATOM 1498 CD2 LEU A 210 5.568 79.806 110.680 1.00 37.84 C
ATOM 1499 C LEU A 210 7.291 77.154 107.241 1.00 31.75 C
ATOM 1500 O LEU A 210 7.255 76.000 106.916 1.00 33.10 O
ATOM 1501 N ILE A 211 8.412 77.829 107.149 1.00 31.25 N
ATOM 1502 CA ILE A 211 9.623 77.109 106.915 1.00 30.07 C
ATOM 1503 CB ILE A 211 10.324 77.534 105.680 1.00 30.31 C
ATOM 1504 CG1 ILE A 211 10.740 78.964 105.777 1.00 33.28 C
ATOM 1505 CD1 ILE A 211 11.269 79.423 104.378 1.00 39.72 C
ATOM 1506 CG2 ILE A 211 9.374 77.562 104.517 1.00 31.92 C
ATOM 1507 C ILE A 211 10.491 77.243 108.129 1.00 29.04 C
ATOM 1508 O ILE A 211 10.535 78.261 108.755 1.00 30.44 O
ATOM 1509 N HIS A 212 11.186 76.183 108.471 1.00 28.93 N
ATOM 1510 CA HIS A 212 11.879 76.157 109.727 1.00 29.85 C
ATOM 1511 CB HIS A 212 12.154 74.696 110.093 1.00 29.10 C
ATOM 1512 CG HIS A 212 12.623 74.532 111.476 1.00 28.72 C
ATOM 1513 ND1 HIS A 212 13.936 74.737 111.834 1.00 29.43 N
ATOM 1514 CE1 HIS A 212 14.051 74.567 113.142 1.00 31.31 C
ATOM 1515 NE2 HIS A 212 12.844 74.338 113.650 1.00 28.43 N
ATOM 1516 CD2 HIS A 212 11.940 74.285 112.624 1.00 30.35 C
ATOM 1517 C HIS A 212 13.154 77.023 109.728 1.00 31.28 C
ATOM 1518 O HIS A 212 13.301 77.868 110.578 1.00 31.77 O
ATOM 1519 N ARG A 213 14.075 76.783 108.776 1.00 31.87 N
ATOM 1520 CA ARG A 213 15.387 77.471 108.700 1.00 29.82 C
ATOM 1521 CB ARG A 213 15.200 78.926 108.472 1.00 29.02 C
ATOM 1522 CG ARG A 213 14.289 79.290 107.296 1.00 27.96 C
ATOM 1523 CD ARG A 213 13.421 80.491 107.703 1.00 30.95 C
ATOM 1524 NE ARG A 213 13.980 81.718 107.268 1.00 32.35 N
ATOM 1525 CZ ARG A 213 14.193 82.834 107.968 1.00 32.54 C
ATOM 1526 NH1 ARG A 213 13.909 82.972 109.245 1.00 26.85 N
ATOM 1527 NH2 ARG A 213 14.716 83.857 107.307 1.00 31.98 N
ATOM 1528 C ARG A 213 16.441 77.233 109.786 1.00 30.33 C
ATOM 1529 O ARG A 213 17.361 77.960 109.855 1.00 29.98 O
ATOM 1530 N ASP A 214 16.365 76.161 110.587 1.00 31.51 N
ATOM 1531 CA ASP A 214 17.367 75.901 111.630 1.00 30.22 C
ATOM 1532 CB ASP A 214 17.216 76.880 112.797 1.00 30.57 C
ATOM 1533 CG ASP A 214 18.436 76.860 113.783 1.00 34.89 C
ATOM 1534 OD1 ASP A 214 19.651 76.634 113.367 1.00 36.86 O
ATOM 1535 OD2 ASP A 214 18.141 77.042 114.994 1.00 36.63 O
ATOM 1536 C ASP A 214 17.233 74.464 112.082 1.00 30.47 C
ATOM 1537 O ASP A 214 17.348 74.095 113.279 1.00 29.60 O
ATOM 1538 N VAL A 215 17.018 73.640 111.080 1.00 30.30 N
ATOM 1539 CA VAL A 215 16.995 72.229 111.227 1.00 30.68 C
ATOM 1540 CB VAL A 215 16.624 71.633 109.908 1.00 29.63 C
ATOM 1541 CG1 VAL A 215 16.674 70.139 109.976 1.00 29.85 C
ATOM 1542 CG2 VAL A 215 15.353 72.135 109.535 1.00 26.30 C
ATOM 1543 C VAL A 215 18.398 71.738 111.588 1.00 32.09 C
ATOM 1544 O VAL A 215 19.318 71.908 110.822 1.00 34.14 O
ATOM 1545 N LYS A 216 18.570 71.137 112.752 1.00 33.28 N
ATOM 1546 CA LYS A 216 19.876 70.676 113.163 1.00 33.15 C
ATOM 1547 CB LYS A 216 20.799 71.851 113.508 1.00 32.52 C
ATOM 1548 CG LYS A 216 20.294 72.689 114.574 1.00 32.54 C
ATOM 1549 CD LYS A 216 21.051 73.920 114.697 1.00 29.55 C
ATOM 1550 CE LYS A 216 20.902 74.373 116.149 1.00 38.21 C
ATOM 1551 NZ LYS A 216 21.124 75.819 116.454 1.00 37.72 N
ATOM 1552 C LYS A 216 19.668 69.803 114.371 1.00 34.08 C
ATOM 1553 O LYS A 216 18.702 69.935 115.067 1.00 34.80 O
ATOM 1554 N PRO A 217 20.611 68.922 114.643 1.00 34.94 N
ATOM 1555 CA PRO A 217 20.378 67.942 115.667 1.00 34.96 C
ATOM 1556 CB PRO A 217 21.676 67.149 115.690 1.00 34.27 C
ATOM 1557 CG PRO A 217 22.430 67.532 114.507 1.00 34.57 C
ATOM 1558 CD PRO A 217 21.957 68.828 114.044 1.00 33.82 C
ATOM 1559 C PRO A 217 20.134 68.543 117.038 1.00 35.67 C
ATOM 1560 O PRO A 217 19.569 67.870 117.878 1.00 36.16 O
ATOM 1561 N ASP A 218 20.562 69.773 117.280 1.00 35.99 N
ATOM 1562 CA ASP A 218 20.331 70.384 118.586 1.00 38.38 C
ATOM 1563 CB ASP A 218 21.098 71.717 118.724 1.00 38.52 C
ATOM 1564 CG ASP A 218 22.566 71.577 118.315 1.00 44.77 C
ATOM 1565 OD1 ASP A 218 22.882 71.049 117.183 1.00 47.27 O
ATOM 1566 OD2 ASP A 218 23.412 72.013 119.143 1.00 51.09 O
ATOM 1567 C ASP A 218 18.861 70.660 118.875 1.00 38.05 C
ATOM 1568 O ASP A 218 18.447 70.740 120.044 1.00 39.48 O
ATOM 1569 N ASN A 219 18.116 70.917 117.805 1.00 36.37 N
ATOM 1570 CA ASN A 219 16.738 71.266 117.897 1.00 34.62 C
ATOM 1571 CB ASN A 219 16.348 72.209 116.749 1.00 33.35 C
ATOM 1572 CG ASN A 219 16.963 73.569 116.909 1.00 34.29 C
ATOM 1573 OD1 ASN A 219 17.347 73.972 118.029 1.00 34.48 O
ATOM 1574 ND2 ASN A 219 17.057 74.310 115.808 1.00 30.51 N
ATOM 1575 C ASN A 219 15.876 70.044 117.822 1.00 33.67 C
ATOM 1576 O ASN A 219 14.681 70.221 117.833 1.00 33.02 O
ATOM 1577 N MET A 220 16.444 68.835 117.714 1.00 31.60 N
ATOM 1578 CA MET A 220 15.616 67.663 117.611 1.00 31.85 C
ATOM 1579 CB MET A 220 16.158 66.726 116.534 1.00 31.77 C
ATOM 1580 CG MET A 220 16.316 67.394 115.179 1.00 31.95 C
ATOM 1581 SD MET A 220 17.255 66.379 113.999 1.00 34.09 S
ATOM 1582 CE MET A 220 17.465 67.592 112.688 1.00 33.17 C
ATOM 1583 C MET A 220 15.582 66.906 118.891 1.00 31.42 C
ATOM 1584 O MET A 220 16.610 66.417 119.290 1.00 32.88 O
ATOM 1585 N LEU A 221 14.432 66.738 119.554 1.00 30.92 N
ATOM 1586 CA LEU A 221 14.499 66.029 120.839 1.00 29.63 C
ATOM 1587 CB LEU A 221 13.912 66.838 121.929 1.00 29.83 C
ATOM 1588 CG LEU A 221 14.575 68.161 122.259 1.00 34.75 C
ATOM 1589 CD1 LEU A 221 13.745 68.691 123.380 1.00 38.44 C
ATOM 1590 CD2 LEU A 221 16.004 68.004 122.746 1.00 38.84 C
ATOM 1591 C LEU A 221 13.812 64.703 120.804 1.00 29.07 C
ATOM 1592 O LEU A 221 13.012 64.486 119.949 1.00 29.43 O
ATOM 1593 N LEU A 222 14.156 63.789 121.702 1.00 27.99 N
ATOM 1594 CA LEU A 222 13.538 62.509 121.707 1.00 28.42 C
ATOM 1595 CB LEU A 222 14.590 61.433 121.600 1.00 28.68 C
ATOM 1596 CG LEU A 222 15.555 61.518 120.408 1.00 28.15 C
ATOM 1597 CD1 LEU A 222 16.842 60.828 120.791 1.00 24.47 C
ATOM 1598 CD2 LEU A 222 14.892 60.852 119.170 1.00 27.74 C
ATOM 1599 C LEU A 222 12.726 62.363 123.005 1.00 29.91 C
ATOM 1600 O LEU A 222 13.116 62.864 124.071 1.00 29.56 O
ATOM 1601 N ASP A 223 11.562 61.738 122.907 1.00 30.27 N
ATOM 1602 CA ASP A 223 10.674 61.780 124.021 1.00 31.53 C
ATOM 1603 CB ASP A 223 9.242 61.996 123.560 1.00 30.40 C
ATOM 1604 CG ASP A 223 8.706 60.858 122.696 1.00 30.38 C
ATOM 1605 OD1 ASP A 223 9.206 59.727 122.712 1.00 29.35 O
ATOM 1606 OD2 ASP A 223 7.710 61.117 121.970 1.00 35.72 O
ATOM 1607 C ASP A 223 10.851 60.512 124.834 1.00 33.85 C
ATOM 1608 O ASP A 223 11.793 59.756 124.564 1.00 34.55 O
ATOM 1609 N LYS A 224 9.958 60.304 125.818 1.00 35.63 N
ATOM 1610 CA LYS A 224 9.907 59.133 126.691 1.00 38.05 C
ATOM 1611 CB LYS A 224 8.611 59.118 127.493 1.00 38.89 C
ATOM 1612 CG LYS A 224 8.329 57.785 128.186 1.00 44.47 C
ATOM 1613 CD LYS A 224 9.024 57.674 129.575 1.00 51.59 C
ATOM 1614 CE LYS A 224 8.686 56.381 130.462 1.00 46.60 C
ATOM 1615 NZ LYS A 224 9.322 56.698 131.859 1.00 46.08 N
ATOM 1616 C LYS A 224 10.066 57.833 125.912 1.00 37.68 C
ATOM 1617 O LYS A 224 10.796 57.003 126.356 1.00 38.27 O
ATOM 1618 N HIS A 225 9.447 57.708 124.725 1.00 37.87 N
ATOM 1619 CA HIS A 225 9.503 56.458 123.903 1.00 36.75 C
ATOM 1620 CB HIS A 225 8.196 56.286 123.157 1.00 37.06 C
ATOM 1621 CG HIS A 225 7.008 56.528 124.016 1.00 41.85 C
ATOM 1622 ND1 HIS A 225 6.623 55.655 125.013 1.00 44.49 N
ATOM 1623 CE1 HIS A 225 5.595 56.160 125.664 1.00 44.08 C
ATOM 1624 NE2 HIS A 225 5.291 57.325 125.123 1.00 46.57 N
ATOM 1625 CD2 HIS A 225 6.168 57.584 124.097 1.00 47.28 C
ATOM 1626 C HIS A 225 10.628 56.385 122.890 1.00 35.07 C
ATOM 1627 O HIS A 225 10.813 55.366 122.226 1.00 34.36 O
ATOM 1628 N GLY A 226 11.374 57.460 122.725 1.00 33.52 N
ATOM 1629 CA GLY A 226 12.442 57.403 121.742 1.00 32.42 C
ATOM 1630 C GLY A 226 12.121 57.988 120.372 1.00 31.90 C
ATOM 1631 O GLY A 226 12.938 57.927 119.427 1.00 30.49 O
ATOM 1632 N HIS A 227 10.936 58.584 120.254 1.00 31.71 N
ATOM 1633 CA HIS A 227 10.552 59.207 119.003 1.00 29.21 C
ATOM 1634 CB HIS A 227 9.110 58.934 118.752 1.00 29.21 C
ATOM 1635 CG HIS A 227 8.831 57.504 118.427 1.00 28.85 C
ATOM 1636 ND1 HIS A 227 8.798 57.031 117.133 1.00 29.58 N
ATOM 1637 CE1 HIS A 227 8.521 55.737 117.139 1.00 31.28 C
ATOM 1638 NE2 HIS A 227 8.329 55.364 118.388 1.00 32.11 N
ATOM 1639 CD2 HIS A 227 8.495 56.459 119.215 1.00 28.77 C
ATOM 1640 C HIS A 227 10.788 60.670 119.032 1.00 28.78 C
ATOM 1641 O HIS A 227 10.864 61.331 120.100 1.00 28.41 O
ATOM 1642 N LEU A 228 10.838 61.202 117.834 1.00 28.51 N
ATOM 1643 CA LEU A 228 11.272 62.589 117.610 1.00 29.71 C
ATOM 1644 CB LEU A 228 11.862 62.663 116.211 1.00 30.82 C
ATOM 1645 CG LEU A 228 12.865 63.787 115.963 1.00 33.58 C
ATOM 1646 CD1 LEU A 228 14.150 63.236 115.271 1.00 29.27 C
ATOM 1647 CD2 LEU A 228 12.079 64.825 115.076 1.00 30.72 C
ATOM 1648 C LEU A 228 10.237 63.674 117.696 1.00 28.94 C
ATOM 1649 O LEU A 228 9.071 63.473 117.261 1.00 29.98 O
ATOM 1650 N LYS A 229 10.677 64.843 118.165 1.00 27.44 N
ATOM 1651 CA LYS A 229 9.927 66.085 118.095 1.00 28.18 C
ATOM 1652 CB LYS A 229 9.216 66.333 119.422 1.00 28.43 C
ATOM 1653 CG LYS A 229 8.091 65.370 119.722 1.00 29.12 C
ATOM 1654 CD LYS A 229 7.314 65.833 120.955 1.00 33.06 C
ATOM 1655 CE LYS A 229 6.398 64.729 121.585 1.00 31.51 C
ATOM 1656 NZ LYS A 229 5.205 64.486 120.780 1.00 31.74 N
ATOM 1657 C LYS A 229 10.842 67.231 117.840 1.00 28.88 C
ATOM 1658 O LYS A 229 11.973 67.213 118.301 1.00 31.94 O
ATOM 1659 N LEU A 230 10.381 68.251 117.143 1.00 29.76 N
ATOM 1660 CA LEU A 230 11.090 69.498 117.044 1.00 29.48 C
ATOM 1661 CB LEU A 230 10.740 70.170 115.727 1.00 29.67 C
ATOM 1662 CG LEU A 230 11.345 69.458 114.486 1.00 32.08 C
ATOM 1663 CD1 LEU A 230 10.587 69.844 113.240 1.00 27.18 C
ATOM 1664 CD2 LEU A 230 12.752 69.958 114.323 1.00 32.93 C
ATOM 1665 C LEU A 230 10.770 70.409 118.234 1.00 30.42 C
ATOM 1666 O LEU A 230 9.623 70.587 118.582 1.00 29.48 O
ATOM 1667 N ALA A 231 11.789 71.084 118.765 1.00 30.80 N
ATOM 1668 CA ALA A 231 11.733 71.703 120.047 1.00 31.44 C
ATOM 1669 CB ALA A 231 12.677 70.869 121.006 1.00 31.94 C
ATOM 1670 C ALA A 231 12.178 73.180 119.987 1.00 33.33 C
ATOM 1671 O ALA A 231 12.398 73.833 121.017 1.00 34.05 O
ATOM 1672 N ASP A 232 12.338 73.730 118.793 1.00 33.98 N
ATOM 1673 CA ASP A 232 12.778 75.088 118.727 1.00 34.14 C
ATOM 1674 CB ASP A 232 14.291 75.113 118.699 1.00 34.21 C
ATOM 1675 CG ASP A 232 14.823 76.480 119.077 1.00 39.35 C
ATOM 1676 OD1 ASP A 232 14.754 77.474 118.242 1.00 39.08 O
ATOM 1677 OD2 ASP A 232 15.273 76.544 120.243 1.00 40.44 O
ATOM 1678 C ASP A 232 12.316 75.672 117.436 1.00 32.88 C
ATOM 1679 O ASP A 232 12.432 75.022 116.428 1.00 34.29 O
ATOM 1680 N PHE A 233 11.841 76.908 117.436 1.00 30.57 N
ATOM 1681 CA PHE A 233 11.146 77.448 116.241 1.00 29.49 C
ATOM 1682 CB PHE A 233 9.625 77.181 116.262 1.00 27.31 C
ATOM 1683 CG PHE A 233 9.267 75.734 116.383 1.00 22.94 C
ATOM 1684 CD1 PHE A 233 9.267 74.914 115.261 1.00 20.33 C
ATOM 1685 CE1 PHE A 233 8.964 73.551 115.354 1.00 22.25 C
ATOM 1686 CZ PHE A 233 8.631 72.988 116.653 1.00 23.44 C
ATOM 1687 CE2 PHE A 233 8.682 73.800 117.779 1.00 23.73 C
ATOM 1688 CD2 PHE A 233 8.972 75.184 117.642 1.00 19.96 C
ATOM 1689 C PHE A 233 11.398 78.924 116.118 1.00 29.32 C
ATOM 1690 O PHE A 233 10.624 79.624 115.521 1.00 29.67 O
ATOM 1691 N GLY A 234 12.524 79.342 116.668 1.00 30.72 N
ATOM 1692 CA GLY A 234 12.932 80.712 116.804 1.00 32.06 C
ATOM 1693 C GLY A 234 13.263 81.328 115.492 1.00 34.28 C
ATOM 1694 O GLY A 234 13.249 82.519 115.393 1.00 36.65 O
ATOM 1695 N THR A 235 13.559 80.553 114.457 1.00 36.20 N
ATOM 1696 CA THR A 235 13.740 81.166 113.159 1.00 37.21 C
ATOM 1697 CB THR A 235 15.100 80.840 112.549 1.00 37.41 C
ATOM 1698 OG1 THR A 235 15.139 79.464 112.213 1.00 38.97 O
ATOM 1699 CG2 THR A 235 16.194 81.044 113.506 1.00 39.23 C
ATOM 1700 C THR A 235 12.660 80.830 112.128 1.00 38.22 C
ATOM 1701 O THR A 235 12.878 81.056 110.930 1.00 40.05 O
ATOM 1702 N CYS A 236 11.503 80.303 112.531 1.00 38.46 N
ATOM 1703 CA CYS A 236 10.473 79.969 111.550 1.00 38.38 C
ATOM 1704 CB CYS A 236 9.342 79.250 112.235 1.00 37.76 C
ATOM 1705 SG CYS A 236 9.717 77.528 112.579 1.00 40.47 S
ATOM 1706 C CYS A 236 9.966 81.221 110.882 1.00 38.81 C
ATOM 1707 O CYS A 236 9.975 82.249 111.519 1.00 40.80 O
ATOM 1708 N MET A 237 9.538 81.151 109.617 1.00 39.05 N
ATOM 1709 CA MET A 237 8.947 82.270 108.923 1.00 39.46 C
ATOM 1710 CB MET A 237 9.951 82.857 107.976 1.00 38.69 C
ATOM 1711 CG MET A 237 9.918 84.403 107.914 1.00 42.85 C
ATOM 1712 SD MET A 237 10.955 85.049 106.563 1.00 45.24 S
ATOM 1713 CE MET A 237 10.129 86.607 106.080 1.00 45.74 C
ATOM 1714 C MET A 237 7.701 81.830 108.143 1.00 39.43 C
ATOM 1715 O MET A 237 7.725 80.753 107.550 1.00 39.70 O
ATOM 1716 N LYS A 238 6.619 82.633 108.144 1.00 39.43 N
ATOM 1717 CA LYS A 238 5.416 82.390 107.298 1.00 41.45 C
ATOM 1718 CB LYS A 238 4.240 83.328 107.586 1.00 41.49 C
ATOM 1719 CG LYS A 238 3.463 83.054 108.881 1.00 47.43 C
ATOM 1720 CD LYS A 238 2.420 81.878 108.756 1.00 53.77 C
ATOM 1721 CE LYS A 238 1.584 81.599 110.070 1.00 52.44 C
ATOM 1722 NZ LYS A 238 0.964 80.214 110.048 1.00 54.38 N
ATOM 1723 C LYS A 238 5.700 82.479 105.810 1.00 42.03 C
ATOM 1724 O LYS A 238 6.231 83.498 105.331 1.00 42.22 O
ATOM 1725 N MET A 239 5.333 81.427 105.101 1.00 41.63 N
ATOM 1726 CA MET A 239 5.392 81.383 103.664 1.00 43.59 C
ATOM 1727 CB MET A 239 5.099 79.964 103.200 1.00 42.28 C
ATOM 1728 CG MET A 239 6.182 78.970 103.429 1.00 41.80 C
ATOM 1729 SD MET A 239 5.741 77.260 103.037 1.00 46.39 S
ATOM 1730 CE MET A 239 4.191 77.135 103.815 1.00 46.04 C
ATOM 1731 C MET A 239 4.349 82.297 102.998 1.00 45.80 C
ATOM 1732 O MET A 239 3.277 82.532 103.560 1.00 44.81 O
ATOM 1733 N ASP A 240 4.719 82.832 101.826 1.00 47.92 N
ATOM 1734 CA ASP A 240 3.835 83.334 100.774 1.00 50.03 C
ATOM 1735 CB ASP A 240 4.571 83.229 99.412 1.00 50.66 C
ATOM 1736 CG ASP A 240 5.294 84.439 99.073 1.00 51.48 C
ATOM 1737 OD1 ASP A 240 5.177 85.358 99.892 1.00 55.14 O
ATOM 1738 OD2 ASP A 240 5.968 84.485 98.015 1.00 53.95 O
ATOM 1739 C ASP A 240 2.664 82.480 100.459 1.00 50.65 C
ATOM 1740 O ASP A 240 2.544 81.345 100.873 1.00 52.55 O
ATOM 1741 N GLU A 241 1.889 83.032 99.554 1.00 51.93 N
ATOM 1742 CA GLU A 241 0.908 82.344 98.737 1.00 53.13 C
ATOM 1743 CB GLU A 241 0.120 83.395 97.918 1.00 54.23 C
ATOM 1744 CG GLU A 241 -0.395 84.682 98.696 1.00 60.40 C
ATOM 1745 CD GLU A 241 0.732 85.643 99.158 1.00 65.45 C
ATOM 1746 OE1 GLU A 241 1.392 86.295 98.285 1.00 66.66 O
ATOM 1747 OE2 GLU A 241 0.951 85.730 100.407 1.00 66.48 O
ATOM 1748 C GLU A 241 1.585 81.409 97.733 1.00 51.99 C
ATOM 1749 O GLU A 241 0.907 80.618 97.103 1.00 50.47 O
ATOM 1750 N THR A 242 2.899 81.540 97.496 1.00 51.40 N
ATOM 1751 CA THR A 242 3.495 80.566 96.603 1.00 50.94 C
ATOM 1752 CB THR A 242 4.194 81.162 95.367 1.00 51.76 C
ATOM 1753 OG1 THR A 242 5.518 81.553 95.716 1.00 54.40 O
ATOM 1754 CG2 THR A 242 3.403 82.392 94.812 1.00 53.53 C
ATOM 1755 C THR A 242 4.382 79.597 97.368 1.00 49.30 C
ATOM 1756 O THR A 242 4.982 78.692 96.759 1.00 50.88 O
ATOM 1757 N GLY A 243 4.428 79.750 98.695 1.00 46.59 N
ATOM 1758 CA GLY A 243 5.163 78.829 99.552 1.00 43.03 C
ATOM 1759 C GLY A 243 6.564 79.362 99.874 1.00 41.80 C
ATOM 1760 O GLY A 243 7.381 78.618 100.412 1.00 39.12 O
ATOM 1761 N MET A 244 6.784 80.667 99.604 1.00 39.91 N
ATOM 1762 CA MET A 244 8.121 81.306 99.592 1.00 39.72 C
ATOM 1763 CB MET A 244 8.485 81.709 98.174 1.00 39.35 C
ATOM 1764 CG MET A 244 8.906 80.430 97.470 1.00 42.04 C
ATOM 1765 SD MET A 244 9.206 80.559 95.771 1.00 44.39 S
ATOM 1766 CE MET A 244 10.952 81.029 95.793 1.00 46.49 C
ATOM 1767 C MET A 244 8.341 82.442 100.538 1.00 37.51 C
ATOM 1768 O MET A 244 7.401 83.015 101.024 1.00 36.26 O
ATOM 1769 N VAL A 245 9.585 82.752 100.876 1.00 37.33 N
ATOM 1770 CA VAL A 245 9.750 83.917 101.749 1.00 36.30 C
ATOM 1771 CB VAL A 245 10.183 83.574 103.204 1.00 35.38 C
ATOM 1772 CG1 VAL A 245 9.352 82.478 103.736 1.00 35.93 C
ATOM 1773 CG2 VAL A 245 11.650 83.227 103.290 1.00 34.35 C
ATOM 1774 C VAL A 245 10.677 84.892 101.045 1.00 37.16 C
ATOM 1775 O VAL A 245 11.421 84.459 100.193 1.00 38.95 O
ATOM 1776 N HIS A 246 10.577 86.186 101.327 1.00 36.88 N
ATOM 1777 CA HIS A 246 11.577 87.135 100.904 1.00 38.07 C
ATOM 1778 CB HIS A 246 10.997 88.444 100.400 1.00 37.68 C
ATOM 1779 CG HIS A 246 10.546 88.383 98.975 1.00 39.90 C
ATOM 1780 ND1 HIS A 246 9.216 88.225 98.609 1.00 42.63 N
ATOM 1781 CE1 HIS A 246 9.130 88.199 97.290 1.00 39.93 C
ATOM 1782 NE2 HIS A 246 10.357 88.298 96.791 1.00 39.24 N
ATOM 1783 CD2 HIS A 246 11.251 88.456 97.820 1.00 38.59 C
ATOM 1784 C HIS A 246 12.290 87.425 102.142 1.00 38.53 C
ATOM 1785 O HIS A 246 11.666 87.805 103.112 1.00 39.33 O
ATOM 1786 N CYS A 247 13.606 87.272 102.118 1.00 39.58 N
ATOM 1787 CA CYS A 247 14.405 87.509 103.317 1.00 40.80 C
ATOM 1788 CB CYS A 247 14.214 86.385 104.327 1.00 39.43 C
ATOM 1789 SG CYS A 247 15.086 86.672 105.832 1.00 39.72 S
ATOM 1790 C CYS A 247 15.902 87.746 103.000 1.00 41.96 C
ATOM 1791 O CYS A 247 16.485 87.122 102.111 1.00 41.77 O
ATOM 1792 N ASP A 248 16.483 88.705 103.703 1.00 42.79 N
ATOM 1793 CA ASP A 248 17.814 89.140 103.390 1.00 44.06 C
ATOM 1794 CB ASP A 248 17.754 90.612 103.011 1.00 45.24 C
ATOM 1795 CG ASP A 248 17.526 90.812 101.505 1.00 52.55 C
ATOM 1796 OD1 ASP A 248 17.225 89.822 100.765 1.00 57.33 O
ATOM 1797 OD2 ASP A 248 17.637 91.988 101.042 1.00 62.30 O
ATOM 1798 C ASP A 248 18.818 88.909 104.537 1.00 42.84 C
ATOM 1799 O ASP A 248 19.846 89.527 104.550 1.00 42.48 O
ATOM 1800 N THR A 249 18.471 88.058 105.491 1.00 41.50 N
ATOM 1801 CA THR A 249 19.296 87.731 106.607 1.00 42.16 C
ATOM 1802 CB THR A 249 18.610 88.063 107.976 1.00 41.86 C
ATOM 1803 OG1 THR A 249 18.298 89.433 108.039 1.00 41.07 O
ATOM 1804 CG2 THR A 249 19.543 87.763 109.197 1.00 41.51 C
ATOM 1805 C THR A 249 19.524 86.230 106.617 1.00 43.77 C
ATOM 1806 O THR A 249 18.527 85.450 106.645 1.00 45.24 O
ATOM 1807 N ALA A 250 20.800 85.832 106.682 1.00 42.52 N
ATOM 1808 CA ALA A 250 21.184 84.439 106.708 1.00 42.85 C
ATOM 1809 CB ALA A 250 22.684 84.306 106.231 1.00 40.97 C
ATOM 1810 C ALA A 250 21.009 83.830 108.111 1.00 43.17 C
ATOM 1811 O ALA A 250 21.715 84.182 109.021 1.00 46.58 O
ATOM 1812 N VAL A 251 20.147 82.863 108.310 1.00 42.72 N
ATOM 1813 CA VAL A 251 19.859 82.429 109.686 1.00 41.07 C
ATOM 1814 CB VAL A 251 18.358 82.616 109.987 1.00 40.96 C
ATOM 1815 CG1 VAL A 251 18.074 84.005 110.397 1.00 38.00 C
ATOM 1816 CG2 VAL A 251 17.529 82.282 108.766 1.00 40.19 C
ATOM 1817 C VAL A 251 20.212 80.961 109.837 1.00 41.29 C
ATOM 1818 O VAL A 251 20.309 80.253 108.847 1.00 41.30 O
ATOM 1819 N GLY A 252 20.368 80.471 111.054 1.00 41.46 N
ATOM 1820 CA GLY A 252 20.653 79.054 111.215 1.00 41.78 C
ATOM 1821 C GLY A 252 22.108 78.774 111.561 1.00 42.01 C
ATOM 1822 O GLY A 252 22.959 79.652 111.487 1.00 44.04 O
ATOM 1823 N THR A 253 22.410 77.574 112.003 1.00 40.74 N
ATOM 1824 CA THR A 253 23.739 77.352 112.431 1.00 39.45 C
ATOM 1825 CB THR A 253 23.800 76.284 113.493 1.00 40.12 C
ATOM 1826 OG1 THR A 253 25.088 76.377 114.084 1.00 42.97 O
ATOM 1827 CG2 THR A 253 23.694 74.890 112.882 1.00 39.94 C
ATOM 1828 C THR A 253 24.671 77.065 111.218 1.00 38.53 C
ATOM 1829 O THR A 253 24.298 76.327 110.264 1.00 37.41 O
ATOM 1830 N PRO A 254 25.883 77.670 111.228 1.00 37.68 N
ATOM 1831 CA PRO A 254 26.757 77.626 110.034 1.00 35.83 C
ATOM 1832 CB PRO A 254 28.120 78.068 110.584 1.00 35.81 C
ATOM 1833 CG PRO A 254 27.679 79.115 111.640 1.00 36.47 C
ATOM 1834 CD PRO A 254 26.534 78.419 112.338 1.00 37.51 C
ATOM 1835 C PRO A 254 26.833 76.277 109.339 1.00 34.69 C
ATOM 1836 O PRO A 254 26.678 76.262 108.120 1.00 31.56 O
ATOM 1837 N ASP A 255 27.036 75.172 110.078 1.00 33.66 N
ATOM 1838 CA ASP A 255 27.172 73.883 109.419 1.00 34.44 C
ATOM 1839 CB ASP A 255 27.372 72.765 110.430 1.00 36.52 C
ATOM 1840 CG ASP A 255 28.821 72.635 110.931 1.00 39.38 C
ATOM 1841 OD1 ASP A 255 29.753 72.364 110.150 1.00 40.42 O
ATOM 1842 OD2 ASP A 255 28.994 72.684 112.162 1.00 47.17 O
ATOM 1843 C ASP A 255 25.989 73.507 108.553 1.00 33.10 C
ATOM 1844 O ASP A 255 26.110 72.750 107.589 1.00 33.33 O
ATOM 1845 N TYR A 256 24.822 74.023 108.912 1.00 32.96 N
ATOM 1846 CA TYR A 256 23.595 73.648 108.275 1.00 30.78 C
ATOM 1847 CB TYR A 256 22.631 73.359 109.345 1.00 31.95 C
ATOM 1848 CG TYR A 256 23.073 72.193 110.112 1.00 33.66 C
ATOM 1849 CD1 TYR A 256 23.911 72.320 111.195 1.00 36.04 C
ATOM 1850 CE1 TYR A 256 24.322 71.210 111.854 1.00 36.03 C
ATOM 1851 CZ TYR A 256 23.835 69.995 111.389 1.00 34.77 C
ATOM 1852 OH TYR A 256 24.121 68.825 111.936 1.00 40.61 O
ATOM 1853 CE2 TYR A 256 22.998 69.881 110.386 1.00 33.21 C
ATOM 1854 CD2 TYR A 256 22.634 70.945 109.752 1.00 33.62 C
ATOM 1855 C TYR A 256 22.975 74.696 107.422 1.00 31.75 C
ATOM 1856 O TYR A 256 21.937 74.389 106.838 1.00 32.36 O
ATOM 1857 N ILE A 257 23.528 75.930 107.354 1.00 31.91 N
ATOM 1858 CA ILE A 257 22.963 77.000 106.450 1.00 32.57 C
ATOM 1859 CB ILE A 257 23.626 78.398 106.569 1.00 32.07 C
ATOM 1860 CG1 ILE A 257 23.566 78.896 107.989 1.00 36.20 C
ATOM 1861 CD1 ILE A 257 24.244 80.374 108.304 1.00 35.36 C
ATOM 1862 CG2 ILE A 257 22.762 79.488 105.927 1.00 31.55 C
ATOM 1863 C ILE A 257 23.065 76.500 105.001 1.00 31.77 C
ATOM 1864 O ILE A 257 24.186 76.060 104.570 1.00 30.63 O
ATOM 1865 N SER A 258 21.925 76.541 104.277 1.00 29.10 N
ATOM 1866 CA SER A 258 21.886 76.140 102.880 1.00 28.85 C
ATOM 1867 CB SER A 258 20.479 75.813 102.440 1.00 29.41 C
ATOM 1868 OG SER A 258 19.771 76.994 102.162 1.00 28.63 O
ATOM 1869 C SER A 258 22.491 77.221 101.997 1.00 29.04 C
ATOM 1870 O SER A 258 22.644 78.372 102.433 1.00 31.52 O
ATOM 1871 N PRO A 259 22.933 76.878 100.790 1.00 28.49 N
ATOM 1872 CA PRO A 259 23.527 78.000 100.039 1.00 28.00 C
ATOM 1873 CB PRO A 259 24.094 77.341 98.775 1.00 27.81 C
ATOM 1874 CG PRO A 259 23.462 75.938 98.729 1.00 28.49 C
ATOM 1875 CD PRO A 259 23.110 75.573 100.125 1.00 27.86 C
ATOM 1876 C PRO A 259 22.600 79.139 99.662 1.00 27.73 C
ATOM 1877 O PRO A 259 23.033 80.254 99.513 1.00 27.97 O
ATOM 1878 N GLU A 260 21.326 78.888 99.494 1.00 29.28 N
ATOM 1879 CA GLU A 260 20.443 79.988 99.085 1.00 30.83 C
ATOM 1880 CB GLU A 260 19.120 79.486 98.495 1.00 30.50 C
ATOM 1881 CG GLU A 260 18.319 78.587 99.461 1.00 33.60 C
ATOM 1882 CD GLU A 260 18.620 77.063 99.372 1.00 38.97 C
ATOM 1883 OE1 GLU A 260 19.734 76.539 98.982 1.00 37.84 O
ATOM 1884 OE2 GLU A 260 17.655 76.383 99.703 1.00 33.93 O
ATOM 1885 C GLU A 260 20.213 80.872 100.279 1.00 31.84 C
ATOM 1886 O GLU A 260 19.956 82.042 100.145 1.00 34.83 O
ATOM 1887 N VAL A 261 20.328 80.336 101.475 1.00 32.63 N
ATOM 1888 CA VAL A 261 20.015 81.120 102.620 1.00 33.04 C
ATOM 1889 CB VAL A 261 19.562 80.242 103.806 1.00 33.68 C
ATOM 1890 CG1 VAL A 261 19.579 81.017 105.094 1.00 31.89 C
ATOM 1891 CG2 VAL A 261 18.167 79.733 103.527 1.00 32.78 C
ATOM 1892 C VAL A 261 21.232 81.927 102.936 1.00 33.75 C
ATOM 1893 O VAL A 261 21.102 83.055 103.340 1.00 32.82 O
ATOM 1894 N LEU A 262 22.419 81.352 102.705 1.00 35.42 N
ATOM 1895 CA LEU A 262 23.672 82.095 102.845 1.00 36.36 C
ATOM 1896 CB LEU A 262 24.808 81.166 102.531 1.00 36.35 C
ATOM 1897 CG LEU A 262 26.232 81.538 102.967 1.00 37.77 C
ATOM 1898 CD1 LEU A 262 26.252 82.045 104.436 1.00 37.93 C
ATOM 1899 CD2 LEU A 262 27.127 80.298 102.855 1.00 33.08 C
ATOM 1900 C LEU A 262 23.720 83.280 101.881 1.00 37.60 C
ATOM 1901 O LEU A 262 24.035 84.371 102.246 1.00 39.05 O
ATOM 1902 N LYS A 263 23.396 83.053 100.639 1.00 38.08 N
ATOM 1903 CA LYS A 263 23.446 84.101 99.658 1.00 40.29 C
ATOM 1904 CB LYS A 263 23.190 83.514 98.272 1.00 41.12 C
ATOM 1905 CG LYS A 263 24.312 82.768 97.669 1.00 47.31 C
ATOM 1906 CD LYS A 263 23.900 82.409 96.208 1.00 56.65 C
ATOM 1907 CE LYS A 263 23.631 80.886 95.934 1.00 56.64 C
ATOM 1908 NZ LYS A 263 24.950 80.149 95.888 1.00 58.41 N
ATOM 1909 C LYS A 263 22.384 85.163 99.806 1.00 39.69 C
ATOM 1910 O LYS A 263 22.483 86.184 99.179 1.00 40.26 O
ATOM 1911 N SER A 264 21.293 84.888 100.503 1.00 38.73 N
ATOM 1912 CA SER A 264 20.283 85.911 100.649 1.00 36.53 C
ATOM 1913 CB SER A 264 19.042 85.292 101.294 1.00 35.41 C
ATOM 1914 OG SER A 264 19.324 85.036 102.624 1.00 32.21 O
ATOM 1915 C SER A 264 20.806 87.035 101.532 1.00 37.02 C
ATOM 1916 O SER A 264 20.171 88.081 101.610 1.00 37.54 O
ATOM 1917 N GLN A 265 21.903 86.785 102.269 1.00 37.36 N
ATOM 1918 CA GLN A 265 22.575 87.778 103.096 1.00 38.12 C
ATOM 1919 CB GLN A 265 23.688 87.135 103.864 1.00 37.14 C
ATOM 1920 CG GLN A 265 24.416 88.056 104.795 1.00 37.00 C
ATOM 1921 CD GLN A 265 23.534 88.723 105.871 1.00 40.49 C
ATOM 1922 OE1 GLN A 265 22.961 88.082 106.766 1.00 40.48 O
ATOM 1923 NE2 GLN A 265 23.462 90.024 105.801 1.00 41.81 N
ATOM 1924 C GLN A 265 23.113 88.909 102.214 1.00 41.02 C
ATOM 1925 O GLN A 265 23.189 90.069 102.606 1.00 40.86 O
ATOM 1926 N GLY A 266 23.445 88.547 100.981 1.00 44.65 N
ATOM 1927 CA GLY A 266 23.767 89.497 99.913 1.00 47.19 C
ATOM 1928 C GLY A 266 22.601 90.345 99.369 1.00 49.14 C
ATOM 1929 O GLY A 266 22.828 91.189 98.447 1.00 49.97 O
ATOM 1930 N GLY A 267 21.386 90.224 99.929 1.00 49.24 N
ATOM 1931 CA GLY A 267 20.239 90.893 99.279 1.00 49.33 C
ATOM 1932 C GLY A 267 19.396 89.998 98.352 1.00 50.51 C
ATOM 1933 O GLY A 267 19.877 89.012 97.717 1.00 49.84 O
ATOM 1934 N ASP A 268 18.117 90.362 98.279 1.00 51.51 N
ATOM 1935 CA ASP A 268 17.038 89.621 97.596 1.00 51.18 C
ATOM 1936 CB ASP A 268 16.716 90.205 96.204 1.00 54.31 C
ATOM 1937 CG ASP A 268 17.992 90.423 95.303 1.00 59.28 C
ATOM 1938 OD1 ASP A 268 18.291 91.617 94.923 1.00 62.94 O
ATOM 1939 OD2 ASP A 268 18.645 89.390 94.963 1.00 60.94 O
ATOM 1940 C ASP A 268 17.014 88.082 97.627 1.00 49.18 C
ATOM 1941 O ASP A 268 16.962 87.426 96.567 1.00 48.32 O
ATOM 1942 N GLY A 269 17.022 87.529 98.850 1.00 45.58 N
ATOM 1943 CA GLY A 269 16.597 86.162 99.066 1.00 42.34 C
ATOM 1944 C GLY A 269 15.139 85.993 98.677 1.00 40.65 C
ATOM 1945 O GLY A 269 14.276 86.752 99.079 1.00 40.74 O
ATOM 1946 N TYR A 270 14.872 85.022 97.839 1.00 38.83 N
ATOM 1947 CA TYR A 270 13.533 84.575 97.607 1.00 37.49 C
ATOM 1948 CB TYR A 270 13.036 85.100 96.238 1.00 39.20 C
ATOM 1949 CG TYR A 270 11.516 84.944 96.085 1.00 42.09 C
ATOM 1950 CD1 TYR A 270 10.650 85.164 97.198 1.00 38.71 C
ATOM 1951 CE1 TYR A 270 9.295 84.988 97.099 1.00 41.15 C
ATOM 1952 CZ TYR A 270 8.745 84.610 95.870 1.00 44.21 C
ATOM 1953 OH TYR A 270 7.354 84.432 95.750 1.00 46.45 O
ATOM 1954 CE2 TYR A 270 9.574 84.381 94.752 1.00 43.04 C
ATOM 1955 CD2 TYR A 270 10.951 84.553 94.860 1.00 40.28 C
ATOM 1956 C TYR A 270 13.633 83.051 97.615 1.00 35.90 C
ATOM 1957 O TYR A 270 14.271 82.465 96.713 1.00 36.20 O
ATOM 1958 N TYR A 271 13.114 82.376 98.638 1.00 33.47 N
ATOM 1959 CA TYR A 271 13.262 80.893 98.652 1.00 32.59 C
ATOM 1960 CB TYR A 271 14.682 80.422 99.131 1.00 31.26 C
ATOM 1961 CG TYR A 271 14.958 80.947 100.492 1.00 30.00 C
ATOM 1962 CD1 TYR A 271 15.516 82.187 100.672 1.00 27.53 C
ATOM 1963 CE1 TYR A 271 15.679 82.723 101.969 1.00 27.07 C
ATOM 1964 CZ TYR A 271 15.328 82.002 103.070 1.00 27.34 C
ATOM 1965 OH TYR A 271 15.535 82.504 104.351 1.00 30.18 O
ATOM 1966 CE2 TYR A 271 14.784 80.765 102.919 1.00 29.77 C
ATOM 1967 CD2 TYR A 271 14.566 80.240 101.616 1.00 31.35 C
ATOM 1968 C TYR A 271 12.173 80.157 99.408 1.00 31.75 C
ATOM 1969 O TYR A 271 11.424 80.732 100.209 1.00 32.24 O
ATOM 1970 N GLY A 272 12.065 78.871 99.152 1.00 30.71 N
ATOM 1971 CA GLY A 272 11.066 78.132 99.878 1.00 29.72 C
ATOM 1972 C GLY A 272 11.631 77.115 100.811 1.00 29.05 C
ATOM 1973 O GLY A 272 12.769 77.178 101.263 1.00 29.18 O
ATOM 1974 N ARG A 273 10.783 76.155 101.067 1.00 29.27 N
ATOM 1975 CA ARG A 273 11.004 75.126 102.019 1.00 29.41 C
ATOM 1976 CB ARG A 273 9.704 74.383 102.142 1.00 28.43 C
ATOM 1977 CG ARG A 273 9.424 73.492 100.939 1.00 30.22 C
ATOM 1978 CD ARG A 273 8.092 72.771 101.093 1.00 28.20 C
ATOM 1979 NE ARG A 273 7.055 73.736 100.876 1.00 26.49 N
ATOM 1980 CZ ARG A 273 5.777 73.541 101.093 1.00 28.71 C
ATOM 1981 NH1 ARG A 273 5.324 72.364 101.539 1.00 31.70 N
ATOM 1982 NH2 ARG A 273 4.959 74.545 100.808 1.00 32.40 N
ATOM 1983 C ARG A 273 12.161 74.190 101.617 1.00 28.81 C
ATOM 1984 O ARG A 273 12.608 73.392 102.435 1.00 30.59 O
ATOM 1985 N GLU A 274 12.650 74.282 100.387 1.00 27.51 N
ATOM 1986 CA GLU A 274 13.846 73.532 100.003 1.00 27.51 C
ATOM 1987 CB GLU A 274 14.173 73.765 98.528 1.00 27.92 C
ATOM 1988 CG GLU A 274 14.679 75.150 98.152 1.00 28.79 C
ATOM 1989 CD GLU A 274 13.633 76.289 98.059 1.00 35.69 C
ATOM 1990 OE1 GLU A 274 12.379 76.095 98.139 1.00 33.08 O
ATOM 1991 OE2 GLU A 274 14.099 77.444 97.839 1.00 39.47 O
ATOM 1992 C GLU A 274 15.055 73.812 100.881 1.00 27.60 C
ATOM 1993 O GLU A 274 15.941 73.023 100.933 1.00 30.60 O
ATOM 1994 N CYS A 275 15.107 74.900 101.628 1.00 27.18 N
ATOM 1995 CA CYS A 275 16.220 75.085 102.503 1.00 27.93 C
ATOM 1996 CB CYS A 275 16.240 76.489 102.975 1.00 29.11 C
ATOM 1997 SG CYS A 275 14.857 77.049 104.040 1.00 34.02 S
ATOM 1998 C CYS A 275 16.224 74.132 103.711 1.00 29.53 C
ATOM 1999 O CYS A 275 17.270 73.790 104.224 1.00 31.69 O
ATOM 2000 N ASP A 276 15.069 73.652 104.135 1.00 28.97 N
ATOM 2001 CA ASP A 276 15.008 72.648 105.158 1.00 28.03 C
ATOM 2002 CB ASP A 276 13.567 72.542 105.683 1.00 26.65 C
ATOM 2003 CG ASP A 276 13.076 73.821 106.395 1.00 27.71 C
ATOM 2004 OD1 ASP A 276 13.901 74.678 106.806 1.00 25.59 O
ATOM 2005 OD2 ASP A 276 11.807 73.994 106.583 1.00 27.99 O
ATOM 2006 C ASP A 276 15.514 71.293 104.624 1.00 27.10 C
ATOM 2007 O ASP A 276 16.287 70.574 105.291 1.00 27.24 O
ATOM 2008 N TRP A 277 15.130 70.957 103.398 1.00 27.14 N
ATOM 2009 CA TRP A 277 15.594 69.701 102.780 1.00 25.00 C
ATOM 2010 CB TRP A 277 14.968 69.486 101.420 1.00 21.82 C
ATOM 2011 CG TRP A 277 13.426 69.459 101.418 1.00 24.75 C
ATOM 2012 CD1 TRP A 277 12.576 69.985 100.460 1.00 22.18 C
ATOM 2013 NE1 TRP A 277 11.239 69.798 100.846 1.00 21.51 N
ATOM 2014 CE2 TRP A 277 11.228 69.121 102.044 1.00 22.65 C
ATOM 2015 CD2 TRP A 277 12.577 68.925 102.451 1.00 18.70 C
ATOM 2016 CE3 TRP A 277 12.834 68.236 103.658 1.00 23.85 C
ATOM 2017 CZ3 TRP A 277 11.772 67.817 104.448 1.00 22.54 C
ATOM 2018 CH2 TRP A 277 10.416 68.050 104.036 1.00 24.20 C
ATOM 2019 CZ2 TRP A 277 10.119 68.701 102.853 1.00 21.68 C
ATOM 2020 C TRP A 277 17.179 69.633 102.719 1.00 26.18 C
ATOM 2021 O TRP A 277 17.740 68.545 102.855 1.00 28.19 O
ATOM 2022 N TRP A 278 17.863 70.746 102.468 1.00 24.27 N
ATOM 2023 CA TRP A 278 19.292 70.802 102.410 1.00 24.79 C
ATOM 2024 CB TRP A 278 19.749 72.227 102.025 1.00 25.30 C
ATOM 2025 CG TRP A 278 21.190 72.492 102.322 1.00 27.80 C
ATOM 2026 CD1 TRP A 278 21.742 72.796 103.543 1.00 26.73 C
ATOM 2027 NE1 TRP A 278 23.090 72.954 103.415 1.00 29.81 N
ATOM 2028 CE2 TRP A 278 23.462 72.774 102.095 1.00 28.18 C
ATOM 2029 CD2 TRP A 278 22.299 72.440 101.374 1.00 28.40 C
ATOM 2030 CE3 TRP A 278 22.391 72.182 99.983 1.00 24.39 C
ATOM 2031 CZ3 TRP A 278 23.640 72.215 99.376 1.00 29.28 C
ATOM 2032 CH2 TRP A 278 24.831 72.511 100.154 1.00 29.56 C
ATOM 2033 CZ2 TRP A 278 24.743 72.790 101.504 1.00 28.95 C
ATOM 2034 C TRP A 278 19.838 70.390 103.764 1.00 25.71 C
ATOM 2035 O TRP A 278 20.671 69.515 103.840 1.00 27.77 O
ATOM 2036 N SER A 279 19.364 71.005 104.831 1.00 25.84 N
ATOM 2037 CA SER A 279 19.747 70.678 106.161 1.00 26.99 C
ATOM 2038 CB SER A 279 18.957 71.529 107.130 1.00 27.68 C
ATOM 2039 OG SER A 279 19.242 72.914 106.914 1.00 29.42 O
ATOM 2040 C SER A 279 19.541 69.225 106.479 1.00 27.73 C
ATOM 2041 O SER A 279 20.322 68.650 107.163 1.00 28.73 O
ATOM 2042 N VAL A 280 18.500 68.603 105.955 1.00 29.39 N
ATOM 2043 CA VAL A 280 18.324 67.142 106.112 1.00 28.58 C
ATOM 2044 CB VAL A 280 16.934 66.664 105.567 1.00 28.48 C
ATOM 2045 CG1 VAL A 280 16.668 65.146 105.839 1.00 25.16 C
ATOM 2046 CG2 VAL A 280 15.854 67.436 106.286 1.00 27.42 C
ATOM 2047 C VAL A 280 19.530 66.383 105.544 1.00 28.32 C
ATOM 2048 O VAL A 280 20.087 65.526 106.209 1.00 28.96 O
ATOM 2049 N GLY A 281 20.010 66.784 104.375 1.00 27.89 N
ATOM 2050 CA GLY A 281 21.244 66.206 103.839 1.00 27.42 C
ATOM 2051 C GLY A 281 22.424 66.360 104.795 1.00 26.13 C
ATOM 2052 O GLY A 281 23.112 65.435 105.022 1.00 25.47 O
ATOM 2053 N VAL A 282 22.670 67.551 105.332 1.00 26.69 N
ATOM 2054 CA VAL A 282 23.763 67.768 106.324 1.00 27.80 C
ATOM 2055 CB VAL A 282 23.731 69.180 106.798 1.00 27.90 C
ATOM 2056 CG1 VAL A 282 24.812 69.453 107.855 1.00 25.96 C
ATOM 2057 CG2 VAL A 282 23.838 70.117 105.595 1.00 29.02 C
ATOM 2058 C VAL A 282 23.629 66.785 107.517 1.00 29.15 C
ATOM 2059 O VAL A 282 24.586 66.160 107.933 1.00 30.41 O
ATOM 2060 N PHE A 283 22.404 66.561 107.965 1.00 28.58 N
ATOM 2061 CA PHE A 283 22.139 65.782 109.104 1.00 28.70 C
ATOM 2062 CB PHE A 283 20.640 66.021 109.452 1.00 28.68 C
ATOM 2063 CG PHE A 283 20.080 65.032 110.487 1.00 29.16 C
ATOM 2064 CD1 PHE A 283 20.521 65.039 111.802 1.00 22.59 C
ATOM 2065 CE1 PHE A 283 20.016 64.175 112.722 1.00 24.42 C
ATOM 2066 CZ PHE A 283 19.044 63.286 112.403 1.00 27.40 C
ATOM 2067 CE2 PHE A 283 18.551 63.271 111.139 1.00 31.26 C
ATOM 2068 CD2 PHE A 283 19.075 64.152 110.150 1.00 28.28 C
ATOM 2069 C PHE A 283 22.411 64.295 108.880 1.00 29.39 C
ATOM 2070 O PHE A 283 22.967 63.612 109.731 1.00 28.60 O
ATOM 2071 N LEU A 284 21.936 63.786 107.749 1.00 29.70 N
ATOM 2072 CA LEU A 284 22.093 62.410 107.406 1.00 30.61 C
ATOM 2073 CB LEU A 284 21.279 62.145 106.163 1.00 29.46 C
ATOM 2074 CG LEU A 284 21.336 60.742 105.526 1.00 31.94 C
ATOM 2075 CD1 LEU A 284 20.851 59.674 106.428 1.00 28.51 C
ATOM 2076 CD2 LEU A 284 20.423 60.773 104.281 1.00 31.80 C
ATOM 2077 C LEU A 284 23.588 62.116 107.207 1.00 31.12 C
ATOM 2078 O LEU A 284 24.122 61.116 107.698 1.00 31.40 O
ATOM 2079 N PHE A 285 24.271 63.024 106.537 1.00 31.33 N
ATOM 2080 CA PHE A 285 25.700 62.901 106.348 1.00 32.69 C
ATOM 2081 CB PHE A 285 26.228 64.075 105.537 1.00 32.28 C
ATOM 2082 CG PHE A 285 27.720 64.044 105.339 1.00 34.76 C
ATOM 2083 CD1 PHE A 285 28.270 63.804 104.070 1.00 30.79 C
ATOM 2084 CE1 PHE A 285 29.622 63.809 103.905 1.00 29.41 C
ATOM 2085 CZ PHE A 285 30.447 64.013 104.994 1.00 31.21 C
ATOM 2086 CE2 PHE A 285 29.921 64.233 106.251 1.00 28.97 C
ATOM 2087 CD2 PHE A 285 28.583 64.265 106.418 1.00 32.93 C
ATOM 2088 C PHE A 285 26.381 62.855 107.687 1.00 33.16 C
ATOM 2089 O PHE A 285 26.982 61.869 108.034 1.00 34.22 O
ATOM 2090 N GLU A 286 26.223 63.905 108.478 1.00 34.08 N
ATOM 2091 CA GLU A 286 26.728 63.932 109.830 1.00 33.79 C
ATOM 2092 CB GLU A 286 26.192 65.147 110.530 1.00 32.11 C
ATOM 2093 CG GLU A 286 26.772 65.175 111.888 1.00 35.44 C
ATOM 2094 CD GLU A 286 26.437 66.385 112.712 1.00 41.41 C
ATOM 2095 OE1 GLU A 286 25.568 67.152 112.309 1.00 42.13 O
ATOM 2096 OE2 GLU A 286 27.062 66.583 113.793 1.00 44.26 O
ATOM 2097 C GLU A 286 26.508 62.662 110.687 1.00 34.96 C
ATOM 2098 O GLU A 286 27.409 62.157 111.335 1.00 36.31 O
ATOM 2099 N MET A 287 25.310 62.153 110.708 1.00 35.84 N
ATOM 2100 CA MET A 287 24.972 60.922 111.388 1.00 37.65 C
ATOM 2101 CB MET A 287 23.465 60.794 111.229 1.00 36.26 C
ATOM 2102 CG MET A 287 22.822 59.681 111.893 1.00 41.60 C
ATOM 2103 SD MET A 287 21.094 60.068 112.449 1.00 44.58 S
ATOM 2104 CE MET A 287 20.265 60.360 110.888 1.00 44.00 C
ATOM 2105 C MET A 287 25.641 59.686 110.779 1.00 37.08 C
ATOM 2106 O MET A 287 25.988 58.770 111.468 1.00 36.19 O
ATOM 2107 N LEU A 288 25.783 59.597 109.466 1.00 37.92 N
ATOM 2108 CA LEU A 288 26.382 58.373 108.964 1.00 37.62 C
ATOM 2109 CB LEU A 288 25.815 57.974 107.625 1.00 36.00 C
ATOM 2110 CG LEU A 288 24.356 57.510 107.604 1.00 36.07 C
ATOM 2111 CD1 LEU A 288 23.891 57.417 106.134 1.00 29.96 C
ATOM 2112 CD2 LEU A 288 24.167 56.241 108.312 1.00 31.58 C
ATOM 2113 C LEU A 288 27.899 58.487 108.889 1.00 39.14 C
ATOM 2114 O LEU A 288 28.589 57.487 108.929 1.00 38.97 O
ATOM 2115 N VAL A 289 28.419 59.710 108.772 1.00 40.31 N
ATOM 2116 CA VAL A 289 29.851 59.895 108.504 1.00 39.71 C
ATOM 2117 CB VAL A 289 30.135 60.988 107.490 1.00 38.86 C
ATOM 2118 CG1 VAL A 289 31.647 61.363 107.464 1.00 39.19 C
ATOM 2119 CG2 VAL A 289 29.719 60.532 106.152 1.00 38.06 C
ATOM 2120 C VAL A 289 30.538 60.250 109.774 1.00 40.36 C
ATOM 2121 O VAL A 289 31.715 59.983 109.907 1.00 41.51 O
ATOM 2122 N GLY A 290 29.826 60.861 110.707 1.00 39.30 N
ATOM 2123 CA GLY A 290 30.420 61.140 111.957 1.00 37.79 C
ATOM 2124 C GLY A 290 30.990 62.513 112.028 1.00 37.88 C
ATOM 2125 O GLY A 290 31.463 62.893 113.090 1.00 38.06 O
ATOM 2126 N ASP A 291 30.965 63.251 110.913 1.00 38.05 N
ATOM 2127 CA ASP A 291 31.323 64.687 110.865 1.00 38.29 C
ATOM 2128 CB ASP A 291 32.692 64.866 110.225 1.00 40.27 C
ATOM 2129 CG ASP A 291 33.828 64.273 111.057 1.00 47.17 C
ATOM 2130 OD1 ASP A 291 34.072 64.754 112.213 1.00 54.86 O
ATOM 2131 OD2 ASP A 291 34.492 63.326 110.523 1.00 53.86 O
ATOM 2132 C ASP A 291 30.400 65.464 109.933 1.00 37.44 C
ATOM 2133 O ASP A 291 29.819 64.866 108.996 1.00 36.58 O
ATOM 2134 N THR A 292 30.340 66.790 110.095 1.00 34.88 N
ATOM 2135 CA THR A 292 29.474 67.543 109.230 1.00 35.24 C
ATOM 2136 CB THR A 292 29.075 68.952 109.760 1.00 34.59 C
ATOM 2137 OG1 THR A 292 30.272 69.603 110.173 1.00 36.24 O
ATOM 2138 CG2 THR A 292 28.049 68.904 110.903 1.00 32.00 C
ATOM 2139 C THR A 292 30.224 67.732 107.928 1.00 34.38 C
ATOM 2140 O THR A 292 31.376 67.982 107.947 1.00 35.55 O
ATOM 2141 N PRO A 293 29.527 67.711 106.810 1.00 33.29 N
ATOM 2142 CA PRO A 293 30.155 67.774 105.490 1.00 32.80 C
ATOM 2143 CB PRO A 293 28.957 67.614 104.514 1.00 33.97 C
ATOM 2144 CG PRO A 293 27.707 68.045 105.358 1.00 33.44 C
ATOM 2145 CD PRO A 293 28.052 67.610 106.767 1.00 32.22 C
ATOM 2146 C PRO A 293 30.920 69.058 105.143 1.00 32.72 C
ATOM 2147 O PRO A 293 31.754 69.016 104.256 1.00 31.16 O
ATOM 2148 N PHE A 294 30.627 70.195 105.794 1.00 33.25 N
ATOM 2149 CA PHE A 294 31.297 71.467 105.467 1.00 32.67 C
ATOM 2150 CB PHE A 294 30.357 72.447 104.836 1.00 30.71 C
ATOM 2151 CG PHE A 294 29.630 71.867 103.675 1.00 31.23 C
ATOM 2152 CD1 PHE A 294 30.276 71.660 102.477 1.00 31.38 C
ATOM 2153 CE1 PHE A 294 29.618 71.097 101.404 1.00 30.85 C
ATOM 2154 CZ PHE A 294 28.291 70.721 101.527 1.00 31.04 C
ATOM 2155 CE2 PHE A 294 27.644 70.943 102.695 1.00 25.92 C
ATOM 2156 CD2 PHE A 294 28.309 71.508 103.768 1.00 28.40 C
ATOM 2157 C PHE A 294 32.005 72.009 106.702 1.00 34.01 C
ATOM 2158 O PHE A 294 32.160 73.229 106.891 1.00 33.46 O
ATOM 2159 N TYR A 295 32.419 71.060 107.536 1.00 36.37 N
ATOM 2160 CA TYR A 295 33.311 71.355 108.676 1.00 39.07 C
ATOM 2161 CB TYR A 295 33.812 70.075 109.343 1.00 39.67 C
ATOM 2162 CG TYR A 295 34.673 70.482 110.461 1.00 43.14 C
ATOM 2163 CD1 TYR A 295 34.074 70.892 111.649 1.00 47.58 C
ATOM 2164 CE1 TYR A 295 34.819 71.355 112.721 1.00 46.89 C
ATOM 2165 CZ TYR A 295 36.180 71.403 112.605 1.00 45.84 C
ATOM 2166 OH TYR A 295 36.805 71.872 113.724 1.00 46.27 O
ATOM 2167 CE2 TYR A 295 36.862 71.002 111.398 1.00 45.94 C
ATOM 2168 CD2 TYR A 295 36.094 70.537 110.337 1.00 44.34 C
ATOM 2169 C TYR A 295 34.534 72.178 108.256 1.00 38.56 C
ATOM 2170 O TYR A 295 35.164 71.843 107.310 1.00 38.56 O
ATOM 2171 N ALA A 296 34.853 73.236 108.971 1.00 39.06 N
ATOM 2172 CA ALA A 296 36.099 73.962 108.791 1.00 40.25 C
ATOM 2173 CB ALA A 296 35.946 75.153 107.826 1.00 39.06 C
ATOM 2174 C ALA A 296 36.446 74.457 110.166 1.00 41.56 C
ATOM 2175 O ALA A 296 35.562 74.504 111.053 1.00 42.66 O
ATOM 2176 N ASP A 297 37.704 74.844 110.380 1.00 42.73 N
ATOM 2177 CA ASP A 297 38.060 75.340 111.722 1.00 43.86 C
ATOM 2178 CB ASP A 297 39.569 75.347 111.985 1.00 45.62 C
ATOM 2179 CG ASP A 297 40.194 73.961 111.921 1.00 50.20 C
ATOM 2180 OD1 ASP A 297 39.544 72.899 112.269 1.00 53.49 O
ATOM 2181 OD2 ASP A 297 41.380 73.973 111.492 1.00 56.36 O
ATOM 2182 C ASP A 297 37.556 76.724 112.044 1.00 42.29 C
ATOM 2183 O ASP A 297 37.556 77.078 113.192 1.00 43.74 O
ATOM 2184 N SER A 298 37.176 77.525 111.071 1.00 39.86 N
ATOM 2185 CA SER A 298 36.586 78.842 111.364 1.00 39.26 C
ATOM 2186 CB SER A 298 37.337 79.986 110.607 1.00 38.56 C
ATOM 2187 OG SER A 298 37.575 79.635 109.234 1.00 33.95 O
ATOM 2188 C SER A 298 35.164 78.759 110.888 1.00 38.67 C
ATOM 2189 O SER A 298 34.847 77.849 110.133 1.00 39.53 O
ATOM 2190 N LEU A 299 34.300 79.694 111.289 1.00 39.29 N
ATOM 2191 CA LEU A 299 32.939 79.755 110.673 1.00 38.14 C
ATOM 2192 CB LEU A 299 32.018 80.668 111.398 1.00 37.66 C
ATOM 2193 CG LEU A 299 31.884 80.746 112.917 1.00 42.19 C
ATOM 2194 CD1 LEU A 299 30.756 81.798 113.287 1.00 39.68 C
ATOM 2195 CD2 LEU A 299 31.633 79.381 113.629 1.00 36.65 C
ATOM 2196 C LEU A 299 33.007 80.242 109.235 1.00 37.03 C
ATOM 2197 O LEU A 299 32.274 79.726 108.389 1.00 38.28 O
ATOM 2198 N VAL A 300 33.834 81.258 108.966 1.00 35.62 N
ATOM 2199 CA VAL A 300 34.066 81.765 107.601 1.00 35.31 C
ATOM 2200 CB VAL A 300 34.951 83.035 107.523 1.00 36.08 C
ATOM 2201 CG1 VAL A 300 34.303 84.176 108.248 1.00 34.56 C
ATOM 2202 CG2 VAL A 300 36.370 82.795 108.113 1.00 34.57 C
ATOM 2203 C VAL A 300 34.608 80.665 106.690 1.00 35.15 C
ATOM 2204 O VAL A 300 34.266 80.628 105.492 1.00 35.80 O
ATOM 2205 N GLY A 301 35.351 79.724 107.276 1.00 34.25 N
ATOM 2206 CA GLY A 301 35.771 78.526 106.585 1.00 32.85 C
ATOM 2207 C GLY A 301 34.621 77.791 105.996 1.00 32.98 C
ATOM 2208 O GLY A 301 34.612 77.439 104.807 1.00 34.20 O
ATOM 2209 N THR A 302 33.602 77.606 106.824 1.00 33.49 N
ATOM 2210 CA THR A 302 32.396 76.853 106.509 1.00 32.18 C
ATOM 2211 CB THR A 302 31.658 76.571 107.801 1.00 32.96 C
ATOM 2212 OG1 THR A 302 32.425 75.659 108.553 1.00 31.05 O
ATOM 2213 CG2 THR A 302 30.181 76.023 107.583 1.00 31.93 C
ATOM 2214 C THR A 302 31.531 77.578 105.484 1.00 32.56 C
ATOM 2215 O THR A 302 31.065 76.940 104.579 1.00 32.78 O
ATOM 2216 N TYR A 303 31.296 78.888 105.635 1.00 33.16 N
ATOM 2217 CA TYR A 303 30.505 79.633 104.679 1.00 33.36 C
ATOM 2218 CB TYR A 303 30.521 81.121 104.980 1.00 34.26 C
ATOM 2219 CG TYR A 303 29.844 81.534 106.292 1.00 34.85 C
ATOM 2220 CD1 TYR A 303 28.702 80.884 106.748 1.00 35.03 C
ATOM 2221 CE1 TYR A 303 28.065 81.242 107.873 1.00 35.49 C
ATOM 2222 CZ TYR A 303 28.569 82.283 108.637 1.00 40.23 C
ATOM 2223 OH TYR A 303 27.919 82.647 109.837 1.00 39.16 O
ATOM 2224 CE2 TYR A 303 29.722 82.946 108.215 1.00 39.33 C
ATOM 2225 CD2 TYR A 303 30.342 82.557 107.048 1.00 35.28 C
ATOM 2226 C TYR A 303 31.088 79.408 103.329 1.00 34.76 C
ATOM 2227 O TYR A 303 30.360 79.138 102.350 1.00 35.09 O
ATOM 2228 N SER A 304 32.416 79.536 103.268 1.00 35.74 N
ATOM 2229 CA SER A 304 33.182 79.264 102.065 1.00 36.14 C
ATOM 2230 CB SER A 304 34.645 79.514 102.269 1.00 36.04 C
ATOM 2231 OG SER A 304 34.764 80.874 102.344 1.00 36.79 O
ATOM 2232 C SER A 304 33.005 77.897 101.490 1.00 36.36 C
ATOM 2233 O SER A 304 32.797 77.824 100.299 1.00 37.26 O
ATOM 2234 N LYS A 305 33.090 76.819 102.270 1.00 36.40 N
ATOM 2235 CA LYS A 305 32.782 75.515 101.685 1.00 36.34 C
ATOM 2236 CB LYS A 305 32.821 74.435 102.692 1.00 36.66 C
ATOM 2237 CG LYS A 305 34.088 73.719 102.736 1.00 38.92 C
ATOM 2238 CD LYS A 305 34.901 74.235 103.822 1.00 40.99 C
ATOM 2239 CE LYS A 305 36.086 73.340 103.977 1.00 43.11 C
ATOM 2240 NZ LYS A 305 35.572 72.045 104.313 1.00 45.62 N
ATOM 2241 C LYS A 305 31.392 75.413 101.134 1.00 36.76 C
ATOM 2242 O LYS A 305 31.161 74.751 100.128 1.00 38.04 O
ATOM 2243 N ILE A 306 30.434 75.982 101.850 1.00 37.20 N
ATOM 2244 CA ILE A 306 29.029 75.870 101.489 1.00 35.46 C
ATOM 2245 CB ILE A 306 28.155 76.452 102.603 1.00 35.46 C
ATOM 2246 CG1 ILE A 306 28.049 75.412 103.708 1.00 32.58 C
ATOM 2247 CD1 ILE A 306 27.563 75.985 104.975 1.00 24.28 C
ATOM 2248 CG2 ILE A 306 26.785 76.875 102.094 1.00 33.52 C
ATOM 2249 C ILE A 306 28.849 76.546 100.141 1.00 35.38 C
ATOM 2250 O ILE A 306 28.353 75.926 99.233 1.00 34.52 O
ATOM 2251 N MET A 307 29.313 77.784 99.991 1.00 36.34 N
ATOM 2252 CA MET A 307 29.314 78.420 98.669 1.00 37.78 C
ATOM 2253 CB MET A 307 29.945 79.789 98.695 1.00 37.36 C
ATOM 2254 CG MET A 307 29.354 80.717 99.682 1.00 41.71 C
ATOM 2255 SD MET A 307 27.905 81.588 99.017 1.00 49.56 S
ATOM 2256 CE MET A 307 26.652 80.340 99.211 1.00 47.55 C
ATOM 2257 C MET A 307 30.058 77.559 97.646 1.00 37.73 C
ATOM 2258 O MET A 307 29.695 77.519 96.470 1.00 40.16 O
ATOM 2259 N ASP A 308 31.030 76.795 98.088 1.00 36.57 N
ATOM 2260 CA ASP A 308 31.765 75.986 97.125 1.00 36.66 C
ATOM 2261 CB ASP A 308 33.275 76.263 97.257 1.00 36.72 C
ATOM 2262 CG ASP A 308 34.107 75.543 96.176 1.00 40.58 C
ATOM 2263 OD1 ASP A 308 33.686 75.440 94.989 1.00 38.77 O
ATOM 2264 OD2 ASP A 308 35.214 75.090 96.550 1.00 46.92 O
ATOM 2265 C ASP A 308 31.442 74.502 97.177 1.00 35.06 C
ATOM 2266 O ASP A 308 32.277 73.669 96.901 1.00 35.32 O
ATOM 2267 N HIS A 309 30.208 74.205 97.520 1.00 34.44 N
ATOM 2268 CA HIS A 309 29.786 72.868 97.788 1.00 34.24 C
ATOM 2269 CB HIS A 309 28.313 72.796 98.296 1.00 33.74 C
ATOM 2270 CG HIS A 309 27.316 73.213 97.278 1.00 28.30 C
ATOM 2271 ND1 HIS A 309 26.776 72.337 96.353 1.00 28.51 N
ATOM 2272 CE1 HIS A 309 25.959 73.006 95.551 1.00 23.18 C
ATOM 2273 NE2 HIS A 309 25.896 74.264 95.976 1.00 25.07 N
ATOM 2274 CD2 HIS A 309 26.748 74.415 97.041 1.00 22.74 C
ATOM 2275 C HIS A 309 29.974 71.915 96.636 1.00 34.27 C
ATOM 2276 O HIS A 309 30.232 70.745 96.897 1.00 32.06 O
ATOM 2277 N LYS A 310 29.785 72.359 95.387 1.00 35.88 N
ATOM 2278 CA LYS A 310 30.096 71.447 94.242 1.00 37.84 C
ATOM 2279 CB LYS A 310 30.079 72.185 92.925 1.00 39.68 C
ATOM 2280 CG LYS A 310 28.751 72.140 92.204 1.00 43.40 C
ATOM 2281 CD LYS A 310 28.327 73.568 91.752 1.00 49.17 C
ATOM 2282 CE LYS A 310 27.108 73.580 90.771 1.00 51.37 C
ATOM 2283 NZ LYS A 310 27.369 72.928 89.384 1.00 55.98 N
ATOM 2284 C LYS A 310 31.490 70.827 94.413 1.00 37.71 C
ATOM 2285 O LYS A 310 31.699 69.659 94.190 1.00 37.45 O
ATOM 2286 N ASN A 311 32.461 71.614 94.828 1.00 38.01 N
ATOM 2287 CA ASN A 311 33.825 71.087 94.951 1.00 38.24 C
ATOM 2288 CB ASN A 311 34.836 72.158 94.591 1.00 36.48 C
ATOM 2289 CG ASN A 311 34.739 72.540 93.135 1.00 38.32 C
ATOM 2290 OD1 ASN A 311 34.743 71.645 92.307 1.00 42.73 O
ATOM 2291 ND2 ASN A 311 34.577 73.844 92.800 1.00 28.12 N
ATOM 2292 C ASN A 311 34.084 70.567 96.310 1.00 39.05 C
ATOM 2293 O ASN A 311 34.935 69.707 96.473 1.00 40.03 O
ATOM 2294 N SER A 312 33.398 71.111 97.313 1.00 38.92 N
ATOM 2295 CA SER A 312 33.847 70.869 98.667 1.00 39.11 C
ATOM 2296 CB SER A 312 33.681 72.139 99.501 1.00 37.92 C
ATOM 2297 OG SER A 312 32.325 72.339 99.825 1.00 40.29 O
ATOM 2298 C SER A 312 33.232 69.619 99.341 1.00 39.74 C
ATOM 2299 O SER A 312 33.832 68.992 100.210 1.00 39.50 O
ATOM 2300 N LEU A 313 32.051 69.244 98.913 1.00 39.64 N
ATOM 2301 CA LEU A 313 31.464 68.045 99.428 1.00 41.56 C
ATOM 2302 CB LEU A 313 30.020 67.775 98.854 1.00 40.69 C
ATOM 2303 CG LEU A 313 29.249 66.526 99.363 1.00 39.47 C
ATOM 2304 CD1 LEU A 313 29.221 66.488 100.852 1.00 33.22 C
ATOM 2305 CD2 LEU A 313 27.814 66.483 98.832 1.00 41.45 C
ATOM 2306 C LEU A 313 32.353 66.914 99.052 1.00 42.74 C
ATOM 2307 O LEU A 313 32.588 66.687 97.878 1.00 42.77 O
ATOM 2308 N CYS A 314 32.814 66.180 100.036 1.00 45.07 N
ATOM 2309 CA CYS A 314 33.240 64.871 99.705 1.00 47.91 C
ATOM 2310 CB CYS A 314 34.618 64.986 99.084 1.00 49.43 C
ATOM 2311 SG CYS A 314 35.842 65.051 100.315 1.00 56.94 S
ATOM 2312 C CYS A 314 33.225 63.864 100.859 1.00 48.44 C
ATOM 2313 O CYS A 314 33.274 64.216 102.030 1.00 48.01 O
ATOM 2314 N PHE A 315 33.132 62.590 100.506 1.00 50.03 N
ATOM 2315 CA PHE A 315 33.063 61.514 101.476 1.00 51.24 C
ATOM 2316 CB PHE A 315 32.153 60.442 100.931 1.00 49.29 C
ATOM 2317 CG PHE A 315 30.744 60.897 100.773 1.00 47.67 C
ATOM 2318 CD1 PHE A 315 29.799 60.629 101.760 1.00 44.97 C
ATOM 2319 CE1 PHE A 315 28.489 61.056 101.601 1.00 41.94 C
ATOM 2320 CZ PHE A 315 28.126 61.791 100.482 1.00 41.40 C
ATOM 2321 CE2 PHE A 315 29.047 62.074 99.525 1.00 42.97 C
ATOM 2322 CD2 PHE A 315 30.353 61.630 99.668 1.00 43.85 C
ATOM 2323 C PHE A 315 34.464 60.926 101.768 1.00 54.34 C
ATOM 2324 O PHE A 315 35.294 60.814 100.860 1.00 54.83 O
ATOM 2325 N PRO A 316 34.742 60.597 103.047 1.00 56.60 N
ATOM 2326 CA PRO A 316 35.970 59.931 103.488 1.00 57.81 C
ATOM 2327 CB PRO A 316 35.867 59.981 105.004 1.00 58.09 C
ATOM 2328 CG PRO A 316 34.752 61.065 105.285 1.00 57.23 C
ATOM 2329 CD PRO A 316 33.844 60.932 104.175 1.00 56.15 C
ATOM 2330 C PRO A 316 36.141 58.470 103.021 1.00 60.06 C
ATOM 2331 O PRO A 316 35.284 57.614 103.239 1.00 60.49 O
ATOM 2332 N GLU A 317 37.295 58.231 102.388 1.00 62.74 N
ATOM 2333 CA GLU A 317 37.843 56.918 101.948 1.00 64.70 C
ATOM 2334 CB GLU A 317 39.392 56.926 102.083 1.00 65.41 C
ATOM 2335 CG GLU A 317 40.165 58.234 101.623 1.00 70.85 C
ATOM 2336 CD GLU A 317 39.563 59.612 102.150 1.00 75.71 C
ATOM 2337 OE1 GLU A 317 39.612 59.937 103.373 1.00 75.06 O
ATOM 2338 OE2 GLU A 317 39.048 60.389 101.307 1.00 77.88 O
ATOM 2339 C GLU A 317 37.260 55.694 102.673 1.00 64.05 C
ATOM 2340 O GLU A 317 36.761 54.767 102.037 1.00 64.13 O
ATOM 2341 N ASP A 318 37.292 55.750 103.998 1.00 63.80 N
ATOM 2342 CA ASP A 318 37.064 54.603 104.881 1.00 64.19 C
ATOM 2343 CB ASP A 318 38.116 54.631 106.013 1.00 65.09 C
ATOM 2344 CG ASP A 318 38.223 56.027 106.698 1.00 67.34 C
ATOM 2345 OD1 ASP A 318 38.031 57.053 105.979 1.00 69.32 O
ATOM 2346 OD2 ASP A 318 38.507 56.089 107.934 1.00 68.72 O
ATOM 2347 C ASP A 318 35.697 54.588 105.552 1.00 63.36 C
ATOM 2348 O ASP A 318 35.468 53.793 106.482 1.00 62.81 O
ATOM 2349 N ALA A 319 34.817 55.498 105.144 1.00 62.73 N
ATOM 2350 CA ALA A 319 33.470 55.579 105.727 1.00 61.70 C
ATOM 2351 CB ALA A 319 32.916 56.969 105.555 1.00 61.90 C
ATOM 2352 C ALA A 319 32.662 54.597 104.927 1.00 60.83 C
ATOM 2353 O ALA A 319 32.604 54.727 103.717 1.00 60.73 O
ATOM 2354 N GLU A 320 32.098 53.576 105.546 1.00 59.51 N
ATOM 2355 CA GLU A 320 31.308 52.665 104.730 1.00 59.82 C
ATOM 2356 CB GLU A 320 31.298 51.261 105.316 1.00 61.34 C
ATOM 2357 CG GLU A 320 32.538 50.453 104.995 1.00 67.05 C
ATOM 2358 CD GLU A 320 33.075 49.832 106.262 1.00 76.45 C
ATOM 2359 OE1 GLU A 320 32.378 48.923 106.854 1.00 77.67 O
ATOM 2360 OE2 GLU A 320 34.178 50.301 106.676 1.00 78.20 O
ATOM 2361 C GLU A 320 29.893 53.164 104.672 1.00 56.90 C
ATOM 2362 O GLU A 320 29.283 53.259 105.713 1.00 56.86 O
ATOM 2363 N ILE A 321 29.391 53.492 103.485 1.00 54.37 N
ATOM 2364 CA ILE A 321 28.023 54.011 103.326 1.00 53.20 C
ATOM 2365 CB ILE A 321 27.992 55.525 102.975 1.00 53.97 C
ATOM 2366 CG1 ILE A 321 28.994 56.270 103.808 1.00 56.01 C
ATOM 2367 CD1 ILE A 321 29.110 57.694 103.386 1.00 61.39 C
ATOM 2368 CG2 ILE A 321 26.628 56.184 103.303 1.00 51.87 C
ATOM 2369 C ILE A 321 27.336 53.335 102.191 1.00 51.64 C
ATOM 2370 O ILE A 321 27.919 53.228 101.142 1.00 51.30 O
ATOM 2371 N SER A 322 26.072 52.945 102.360 1.00 50.11 N
ATOM 2372 CA SER A 322 25.359 52.331 101.260 1.00 48.37 C
ATOM 2373 CB SER A 322 24.004 51.844 101.719 1.00 48.00 C
ATOM 2374 OG SER A 322 23.064 52.905 101.824 1.00 50.82 O
ATOM 2375 C SER A 322 25.276 53.198 99.987 1.00 47.20 C
ATOM 2376 O SER A 322 25.456 54.388 100.000 1.00 45.71 O
ATOM 2377 N LYS A 323 25.006 52.556 98.875 1.00 47.93 N
ATOM 2378 CA LYS A 323 24.757 53.249 97.618 1.00 48.08 C
ATOM 2379 CB LYS A 323 24.450 52.163 96.550 1.00 50.11 C
ATOM 2380 CG LYS A 323 23.914 52.610 95.145 1.00 53.97 C
ATOM 2381 CD LYS A 323 25.109 52.765 94.165 1.00 61.82 C
ATOM 2382 CE LYS A 323 24.722 53.260 92.697 1.00 61.60 C
ATOM 2383 NZ LYS A 323 25.839 53.100 91.643 1.00 60.57 N
ATOM 2384 C LYS A 323 23.604 54.281 97.799 1.00 46.38 C
ATOM 2385 O LYS A 323 23.762 55.472 97.482 1.00 47.51 O
ATOM 2386 N HIS A 324 22.475 53.831 98.334 1.00 42.62 N
ATOM 2387 CA HIS A 324 21.302 54.669 98.502 1.00 40.74 C
ATOM 2388 CB HIS A 324 20.156 53.818 98.940 1.00 37.94 C
ATOM 2389 CG HIS A 324 19.757 52.810 97.912 1.00 40.72 C
ATOM 2390 ND1 HIS A 324 19.613 53.129 96.573 1.00 40.39 N
ATOM 2391 CE1 HIS A 324 19.242 52.049 95.902 1.00 39.42 C
ATOM 2392 NE2 HIS A 324 19.120 51.048 96.760 1.00 39.63 N
ATOM 2393 CD2 HIS A 324 19.442 51.494 98.021 1.00 38.29 C
ATOM 2394 C HIS A 324 21.491 55.811 99.513 1.00 40.41 C
ATOM 2395 O HIS A 324 20.956 56.922 99.316 1.00 40.61 O
ATOM 2396 N ALA A 325 22.246 55.540 100.580 1.00 38.55 N
ATOM 2397 CA ALA A 325 22.449 56.511 101.583 1.00 37.43 C
ATOM 2398 CB ALA A 325 23.164 55.900 102.661 1.00 36.38 C
ATOM 2399 C ALA A 325 23.222 57.680 100.959 1.00 38.50 C
ATOM 2400 O ALA A 325 22.807 58.861 101.075 1.00 37.40 O
ATOM 2401 N LYS A 326 24.307 57.330 100.237 1.00 38.85 N
ATOM 2402 CA LYS A 326 25.181 58.289 99.609 1.00 39.58 C
ATOM 2403 CB LYS A 326 26.421 57.567 99.044 1.00 40.51 C
ATOM 2404 CG LYS A 326 27.431 58.491 98.302 1.00 46.16 C
ATOM 2405 CD LYS A 326 28.824 57.875 98.031 1.00 45.35 C
ATOM 2406 CE LYS A 326 29.197 56.893 99.166 1.00 55.04 C
ATOM 2407 NZ LYS A 326 30.650 56.307 99.120 1.00 56.14 N
ATOM 2408 C LYS A 326 24.377 58.972 98.528 1.00 37.31 C
ATOM 2409 O LYS A 326 24.509 60.175 98.289 1.00 36.41 O
ATOM 2410 N ASN A 327 23.483 58.218 97.911 1.00 36.24 N
ATOM 2411 CA ASN A 327 22.685 58.796 96.851 1.00 36.20 C
ATOM 2412 CB ASN A 327 21.905 57.749 96.088 1.00 35.83 C
ATOM 2413 CG ASN A 327 21.107 58.387 94.962 1.00 41.59 C
ATOM 2414 OD1 ASN A 327 19.964 58.877 95.142 1.00 38.91 O
ATOM 2415 ND2 ASN A 327 21.753 58.504 93.813 1.00 44.95 N
ATOM 2416 C ASN A 327 21.733 59.914 97.333 1.00 36.49 C
ATOM 2417 O ASN A 327 21.663 61.008 96.718 1.00 36.57 O
ATOM 2418 N LEU A 328 21.004 59.610 98.421 1.00 35.40 N
ATOM 2419 CA LEU A 328 20.137 60.560 99.118 1.00 33.43 C
ATOM 2420 CB LEU A 328 19.450 59.911 100.324 1.00 31.01 C
ATOM 2421 CG LEU A 328 18.304 60.753 100.929 1.00 32.11 C
ATOM 2422 CD1 LEU A 328 17.264 61.334 99.913 1.00 33.66 C
ATOM 2423 CD2 LEU A 328 17.564 59.980 101.946 1.00 26.04 C
ATOM 2424 C LEU A 328 20.949 61.781 99.565 1.00 32.29 C
ATOM 2425 O LEU A 328 20.599 62.912 99.230 1.00 33.29 O
ATOM 2426 N ILE A 329 22.036 61.549 100.292 1.00 30.88 N
ATOM 2427 CA ILE A 329 22.854 62.643 100.765 1.00 30.00 C
ATOM 2428 CB ILE A 329 24.093 62.089 101.453 1.00 28.98 C
ATOM 2429 CG1 ILE A 329 23.720 61.427 102.762 1.00 30.94 C
ATOM 2430 CD1 ILE A 329 24.909 60.688 103.456 1.00 29.04 C
ATOM 2431 CG2 ILE A 329 25.146 63.121 101.696 1.00 29.57 C
ATOM 2432 C ILE A 329 23.211 63.566 99.574 1.00 30.54 C
ATOM 2433 O ILE A 329 23.003 64.714 99.653 1.00 32.00 O
ATOM 2434 N CYS A 330 23.703 63.054 98.453 1.00 31.72 N
ATOM 2435 CA CYS A 330 24.020 63.913 97.299 1.00 32.17 C
ATOM 2436 CB CYS A 330 24.773 63.159 96.217 1.00 31.47 C
ATOM 2437 SG CYS A 330 26.298 62.455 96.943 1.00 37.99 S
ATOM 2438 C CYS A 330 22.841 64.520 96.663 1.00 31.69 C
ATOM 2439 O CYS A 330 22.967 65.524 96.076 1.00 33.05 O
ATOM 2440 N ALA A 331 21.675 63.916 96.725 1.00 32.53 N
ATOM 2441 CA ALA A 331 20.488 64.574 96.116 1.00 31.22 C
ATOM 2442 CB ALA A 331 19.413 63.601 95.870 1.00 28.59 C
ATOM 2443 C ALA A 331 19.997 65.767 96.926 1.00 30.67 C
ATOM 2444 O ALA A 331 19.360 66.649 96.375 1.00 32.93 O
ATOM 2445 N PHE A 332 20.272 65.838 98.224 1.00 30.34 N
ATOM 2446 CA PHE A 332 19.824 67.009 98.985 1.00 28.79 C
ATOM 2447 CB PHE A 332 19.721 66.638 100.428 1.00 28.93 C
ATOM 2448 CG PHE A 332 18.471 65.912 100.814 1.00 26.29 C
ATOM 2449 CD1 PHE A 332 17.211 66.366 100.422 1.00 26.37 C
ATOM 2450 CE1 PHE A 332 16.062 65.738 100.809 1.00 20.42 C
ATOM 2451 CZ PHE A 332 16.156 64.650 101.675 1.00 23.11 C
ATOM 2452 CE2 PHE A 332 17.352 64.202 102.105 1.00 27.87 C
ATOM 2453 CD2 PHE A 332 18.545 64.853 101.678 1.00 28.27 C
ATOM 2454 C PHE A 332 20.881 68.069 98.904 1.00 31.03 C
ATOM 2455 O PHE A 332 20.627 69.283 98.824 1.00 29.44 O
ATOM 2456 N LEU A 333 22.127 67.602 98.955 1.00 32.98 N
ATOM 2457 CA LEU A 333 23.267 68.513 98.975 1.00 34.18 C
ATOM 2458 CB LEU A 333 24.392 67.798 99.720 1.00 32.58 C
ATOM 2459 CG LEU A 333 24.111 67.658 101.204 1.00 31.15 C
ATOM 2460 CD1 LEU A 333 25.383 67.308 101.829 1.00 31.19 C
ATOM 2461 CD2 LEU A 333 23.669 68.950 101.861 1.00 31.20 C
ATOM 2462 C LEU A 333 23.656 68.993 97.564 1.00 34.80 C
ATOM 2463 O LEU A 333 24.677 68.573 97.039 1.00 36.04 O
ATOM 2464 N THR A 334 22.768 69.740 96.913 1.00 35.45 N
ATOM 2465 CA THR A 334 23.000 70.363 95.600 1.00 35.79 C
ATOM 2466 CB THR A 334 22.346 69.581 94.453 1.00 37.39 C
ATOM 2467 OG1 THR A 334 20.904 69.624 94.624 1.00 39.80 O
ATOM 2468 CG2 THR A 334 22.751 68.123 94.445 1.00 36.67 C
ATOM 2469 C THR A 334 22.293 71.692 95.586 1.00 35.50 C
ATOM 2470 O THR A 334 21.621 72.014 96.520 1.00 34.06 O
ATOM 2471 N ASP A 335 22.430 72.474 94.520 1.00 37.80 N
ATOM 2472 CA ASP A 335 21.664 73.726 94.400 1.00 40.75 C
ATOM 2473 CB ASP A 335 22.037 74.522 93.137 1.00 41.95 C
ATOM 2474 CG ASP A 335 23.471 75.068 93.227 1.00 50.99 C
ATOM 2475 OD1 ASP A 335 23.831 75.697 94.293 1.00 54.38 O
ATOM 2476 OD2 ASP A 335 24.259 74.807 92.256 1.00 59.85 O
ATOM 2477 C ASP A 335 20.238 73.440 94.295 1.00 39.32 C
ATOM 2478 O ASP A 335 19.892 72.419 93.791 1.00 38.99 O
ATOM 2479 N ARG A 336 19.427 74.414 94.669 1.00 40.33 N
ATOM 2480 CA ARG A 336 17.999 74.253 94.769 1.00 41.77 C
ATOM 2481 CB ARG A 336 17.280 75.524 95.228 1.00 41.52 C
ATOM 2482 CG ARG A 336 17.789 76.815 94.698 1.00 43.85 C
ATOM 2483 CD ARG A 336 17.140 77.988 95.456 1.00 45.42 C
ATOM 2484 NE ARG A 336 15.728 77.929 95.165 1.00 55.09 N
ATOM 2485 CZ ARG A 336 14.888 78.955 95.219 1.00 57.82 C
ATOM 2486 NH1 ARG A 336 15.370 80.174 95.599 1.00 55.70 N
ATOM 2487 NH2 ARG A 336 13.577 78.727 94.908 1.00 53.24 N
ATOM 2488 C ARG A 336 17.336 73.726 93.530 1.00 43.00 C
ATOM 2489 O ARG A 336 16.507 72.814 93.643 1.00 42.99 O
ATOM 2490 N GLU A 337 17.701 74.293 92.369 1.00 43.70 N
ATOM 2491 CA GLU A 337 17.090 73.972 91.092 1.00 44.47 C
ATOM 2492 CB GLU A 337 17.644 74.857 89.974 1.00 44.40 C
ATOM 2493 CG GLU A 337 17.355 76.440 90.184 1.00 51.37 C
ATOM 2494 CD GLU A 337 17.616 77.367 88.886 1.00 54.32 C
ATOM 2495 OE1 GLU A 337 17.424 76.872 87.705 1.00 64.19 O
ATOM 2496 OE2 GLU A 337 18.008 78.586 89.054 1.00 60.97 O
ATOM 2497 C GLU A 337 17.204 72.485 90.801 1.00 41.00 C
ATOM 2498 O GLU A 337 16.386 71.951 90.100 1.00 41.62 O
ATOM 2499 N VAL A 338 18.147 71.759 91.377 1.00 37.67 N
ATOM 2500 CA VAL A 338 18.103 70.334 91.090 1.00 35.48 C
ATOM 2501 CB VAL A 338 19.344 69.848 90.269 1.00 36.44 C
ATOM 2502 CG1 VAL A 338 19.267 70.355 88.793 1.00 34.70 C
ATOM 2503 CG2 VAL A 338 20.709 70.289 90.948 1.00 35.83 C
ATOM 2504 C VAL A 338 17.971 69.461 92.321 1.00 34.49 C
ATOM 2505 O VAL A 338 18.200 68.277 92.223 1.00 35.20 O
ATOM 2506 N ARG A 339 17.594 70.035 93.465 1.00 32.23 N
ATOM 2507 CA ARG A 339 17.647 69.350 94.758 1.00 31.33 C
ATOM 2508 CB ARG A 339 17.658 70.408 95.902 1.00 30.76 C
ATOM 2509 CG ARG A 339 17.978 69.805 97.302 1.00 32.72 C
ATOM 2510 CD ARG A 339 17.944 70.846 98.430 1.00 28.90 C
ATOM 2511 NE ARG A 339 18.915 71.837 98.087 1.00 26.17 N
ATOM 2512 CZ ARG A 339 18.906 73.131 98.420 1.00 27.12 C
ATOM 2513 NH1 ARG A 339 17.949 73.712 99.151 1.00 20.22 N
ATOM 2514 NH2 ARG A 339 19.948 73.849 98.051 1.00 30.84 N
ATOM 2515 C ARG A 339 16.481 68.390 94.908 1.00 30.16 C
ATOM 2516 O ARG A 339 15.436 68.691 94.496 1.00 31.19 O
ATOM 2517 N LEU A 340 16.638 67.242 95.526 1.00 30.62 N
ATOM 2518 CA LEU A 340 15.502 66.400 95.798 1.00 29.57 C
ATOM 2519 CB LEU A 340 15.966 65.165 96.507 1.00 30.95 C
ATOM 2520 CG LEU A 340 14.910 64.078 96.688 1.00 28.99 C
ATOM 2521 CD1 LEU A 340 14.621 63.474 95.343 1.00 29.33 C
ATOM 2522 CD2 LEU A 340 15.570 63.084 97.589 1.00 29.65 C
ATOM 2523 C LEU A 340 14.454 67.109 96.686 1.00 31.34 C
ATOM 2524 O LEU A 340 14.806 67.725 97.690 1.00 30.23 O
ATOM 2525 N GLY A 341 13.168 67.007 96.304 1.00 31.91 N
ATOM 2526 CA GLY A 341 12.100 67.769 96.953 1.00 31.93 C
ATOM 2527 C GLY A 341 11.696 69.013 96.170 1.00 31.94 C
ATOM 2528 O GLY A 341 10.716 69.652 96.522 1.00 30.49 O
ATOM 2529 N ARG A 342 12.429 69.361 95.111 1.00 32.68 N
ATOM 2530 CA ARG A 342 11.977 70.491 94.241 1.00 34.62 C
ATOM 2531 CB ARG A 342 13.043 70.833 93.199 1.00 34.08 C
ATOM 2532 CG ARG A 342 13.019 69.979 92.000 1.00 35.43 C
ATOM 2533 CD ARG A 342 14.354 69.894 91.398 1.00 41.95 C
ATOM 2534 NE ARG A 342 14.417 69.122 90.161 1.00 48.24 N
ATOM 2535 CZ ARG A 342 14.499 67.797 90.148 1.00 49.87 C
ATOM 2536 NH1 ARG A 342 14.520 67.139 91.319 1.00 54.59 N
ATOM 2537 NH2 ARG A 342 14.526 67.134 88.998 1.00 45.41 N
ATOM 2538 C ARG A 342 10.562 70.308 93.557 1.00 35.39 C
ATOM 2539 O ARG A 342 9.929 71.297 93.163 1.00 36.90 O
ATOM 2540 N ASN A 343 10.095 69.061 93.433 1.00 34.74 N
ATOM 2541 CA ASN A 343 8.742 68.708 92.937 1.00 34.68 C
ATOM 2542 CB ASN A 343 8.885 67.540 91.947 1.00 32.75 C
ATOM 2543 CG ASN A 343 9.782 67.894 90.815 1.00 32.99 C
ATOM 2544 OD1 ASN A 343 9.591 68.910 90.196 1.00 31.42 O
ATOM 2545 ND2 ASN A 343 10.826 67.131 90.610 1.00 30.58 N
ATOM 2546 C ASN A 343 7.780 68.244 94.056 1.00 34.42 C
ATOM 2547 O ASN A 343 6.817 67.569 93.747 1.00 34.37 O
ATOM 2548 N GLY A 344 8.115 68.549 95.328 1.00 34.41 N
ATOM 2549 CA GLY A 344 7.408 68.086 96.503 1.00 32.73 C
ATOM 2550 C GLY A 344 7.984 66.936 97.272 1.00 33.06 C
ATOM 2551 O GLY A 344 8.789 66.126 96.787 1.00 34.59 O
ATOM 2552 N VAL A 345 7.496 66.813 98.479 1.00 31.93 N
ATOM 2553 CA VAL A 345 8.001 65.907 99.456 1.00 31.34 C
ATOM 2554 CB VAL A 345 7.338 66.196 100.838 1.00 31.74 C
ATOM 2555 CG1 VAL A 345 5.845 65.743 100.825 1.00 30.56 C
ATOM 2556 CG2 VAL A 345 8.063 65.454 101.954 1.00 26.88 C
ATOM 2557 C VAL A 345 7.792 64.459 99.063 1.00 32.58 C
ATOM 2558 O VAL A 345 8.484 63.602 99.563 1.00 34.68 O
ATOM 2559 N GLU A 346 6.871 64.169 98.156 1.00 33.17 N
ATOM 2560 CA GLU A 346 6.599 62.804 97.716 1.00 33.51 C
ATOM 2561 CB GLU A 346 5.503 62.772 96.635 1.00 34.40 C
ATOM 2562 CG GLU A 346 4.124 63.289 97.064 1.00 37.60 C
ATOM 2563 CD GLU A 346 3.971 64.846 97.028 1.00 40.18 C
ATOM 2564 OE1 GLU A 346 4.990 65.622 97.051 1.00 37.49 O
ATOM 2565 OE2 GLU A 346 2.799 65.283 96.976 1.00 37.61 O
ATOM 2566 C GLU A 346 7.873 62.239 97.112 1.00 33.29 C
ATOM 2567 O GLU A 346 8.109 61.057 97.229 1.00 33.92 O
ATOM 2568 N GLU A 347 8.670 63.044 96.416 1.00 32.19 N
ATOM 2569 CA GLU A 347 9.869 62.471 95.842 1.00 33.61 C
ATOM 2570 CB GLU A 347 10.485 63.245 94.680 1.00 32.94 C
ATOM 2571 CG GLU A 347 10.597 64.715 94.839 1.00 38.12 C
ATOM 2572 CD GLU A 347 11.351 65.406 93.650 1.00 38.94 C
ATOM 2573 OE1 GLU A 347 11.466 64.847 92.501 1.00 40.84 O
ATOM 2574 OE2 GLU A 347 11.793 66.552 93.895 1.00 46.61 O
ATOM 2575 C GLU A 347 10.923 62.144 96.862 1.00 31.65 C
ATOM 2576 O GLU A 347 11.722 61.279 96.613 1.00 32.23 O
ATOM 2577 N ILE A 348 10.917 62.814 98.005 1.00 30.81 N
ATOM 2578 CA ILE A 348 11.803 62.470 99.123 1.00 28.59 C
ATOM 2579 CB ILE A 348 11.774 63.555 100.204 1.00 29.15 C
ATOM 2580 CG1 ILE A 348 12.307 64.867 99.624 1.00 25.89 C
ATOM 2581 CD1 ILE A 348 12.396 65.892 100.666 1.00 24.60 C
ATOM 2582 CG2 ILE A 348 12.576 63.130 101.443 1.00 26.25 C
ATOM 2583 C ILE A 348 11.325 61.161 99.726 1.00 28.70 C
ATOM 2584 O ILE A 348 12.143 60.286 99.890 1.00 28.49 O
ATOM 2585 N LYS A 349 10.005 60.985 99.975 1.00 26.45 N
ATOM 2586 CA LYS A 349 9.568 59.816 100.653 1.00 26.39 C
ATOM 2587 CB LYS A 349 8.129 59.953 101.076 1.00 26.88 C
ATOM 2588 CG LYS A 349 7.868 61.168 101.945 1.00 27.06 C
ATOM 2589 CD LYS A 349 6.464 61.099 102.399 1.00 28.83 C
ATOM 2590 CE LYS A 349 6.130 62.206 103.384 1.00 36.63 C
ATOM 2591 NZ LYS A 349 4.637 62.299 103.755 1.00 29.79 N
ATOM 2592 C LYS A 349 9.746 58.558 99.840 1.00 27.86 C
ATOM 2593 O LYS A 349 9.867 57.451 100.383 1.00 30.06 O
ATOM 2594 N GLN A 350 9.697 58.643 98.530 1.00 28.90 N
ATOM 2595 CA GLN A 350 9.869 57.391 97.736 1.00 29.02 C
ATOM 2596 CB GLN A 350 9.038 57.428 96.484 1.00 28.67 C
ATOM 2597 CG GLN A 350 9.417 58.623 95.742 1.00 29.45 C
ATOM 2598 CD GLN A 350 8.599 58.889 94.541 1.00 33.09 C
ATOM 2599 OE1 GLN A 350 9.171 59.304 93.534 1.00 35.59 O
ATOM 2600 NE2 GLN A 350 7.243 58.745 94.620 1.00 28.90 N
ATOM 2601 C GLN A 350 11.396 57.102 97.427 1.00 29.11 C
ATOM 2602 O GLN A 350 11.748 56.077 96.829 1.00 28.53 O
ATOM 2603 N HIS A 351 12.312 57.913 97.947 1.00 28.24 N
ATOM 2604 CA HIS A 351 13.697 57.521 97.786 1.00 28.52 C
ATOM 2605 CB HIS A 351 14.623 58.497 98.429 1.00 26.44 C
ATOM 2606 CG HIS A 351 16.017 58.337 97.972 1.00 28.31 C
ATOM 2607 ND1 HIS A 351 16.884 57.442 98.550 1.00 33.85 N
ATOM 2608 CE1 HIS A 351 18.046 57.497 97.916 1.00 37.08 C
ATOM 2609 NE2 HIS A 351 17.954 58.400 96.952 1.00 31.52 N
ATOM 2610 CD2 HIS A 351 16.689 58.914 96.946 1.00 26.94 C
ATOM 2611 C HIS A 351 13.930 56.104 98.339 1.00 29.10 C
ATOM 2612 O HIS A 351 13.429 55.732 99.425 1.00 31.98 O
ATOM 2613 N PRO A 352 14.647 55.290 97.589 1.00 29.15 N
ATOM 2614 CA PRO A 352 14.921 53.884 97.929 1.00 28.20 C
ATOM 2615 CB PRO A 352 15.879 53.415 96.808 1.00 29.09 C
ATOM 2616 CG PRO A 352 15.932 54.509 95.772 1.00 27.41 C
ATOM 2617 CD PRO A 352 15.117 55.686 96.246 1.00 29.04 C
ATOM 2618 C PRO A 352 15.611 53.716 99.239 1.00 29.26 C
ATOM 2619 O PRO A 352 15.642 52.618 99.787 1.00 29.08 O
ATOM 2620 N PHE A 353 16.229 54.764 99.753 1.00 30.58 N
ATOM 2621 CA PHE A 353 17.018 54.618 101.001 1.00 31.85 C
ATOM 2622 CB PHE A 353 17.830 55.906 101.255 1.00 32.58 C
ATOM 2623 CG PHE A 353 18.349 56.046 102.656 1.00 35.02 C
ATOM 2624 CD1 PHE A 353 19.468 55.346 103.076 1.00 38.18 C
ATOM 2625 CE1 PHE A 353 19.942 55.506 104.434 1.00 41.57 C
ATOM 2626 CZ PHE A 353 19.254 56.403 105.323 1.00 36.84 C
ATOM 2627 CE2 PHE A 353 18.148 57.086 104.860 1.00 32.31 C
ATOM 2628 CD2 PHE A 353 17.712 56.901 103.558 1.00 34.77 C
ATOM 2629 C PHE A 353 16.058 54.309 102.160 1.00 33.09 C
ATOM 2630 O PHE A 353 16.423 53.703 103.201 1.00 35.63 O
ATOM 2631 N PHE A 354 14.808 54.697 101.966 1.00 32.52 N
ATOM 2632 CA PHE A 354 13.821 54.604 102.974 1.00 31.68 C
ATOM 2633 CB PHE A 354 12.819 55.759 102.788 1.00 30.83 C
ATOM 2634 CG PHE A 354 13.359 57.123 103.198 1.00 29.93 C
ATOM 2635 CD1 PHE A 354 13.763 57.373 104.514 1.00 27.10 C
ATOM 2636 CE1 PHE A 354 14.281 58.635 104.882 1.00 25.51 C
ATOM 2637 CZ PHE A 354 14.374 59.635 103.905 1.00 25.53 C
ATOM 2638 CE2 PHE A 354 13.949 59.404 102.596 1.00 22.33 C
ATOM 2639 CD2 PHE A 354 13.458 58.165 102.250 1.00 30.16 C
ATOM 2640 C PHE A 354 13.114 53.293 102.835 1.00 32.48 C
ATOM 2641 O PHE A 354 12.305 53.025 103.625 1.00 33.15 O
ATOM 2642 N LYS A 355 13.365 52.494 101.814 1.00 34.36 N
ATOM 2643 CA LYS A 355 12.750 51.154 101.671 1.00 37.13 C
ATOM 2644 CB LYS A 355 13.367 50.442 100.496 1.00 37.88 C
ATOM 2645 CG LYS A 355 12.426 49.532 99.658 1.00 44.68 C
ATOM 2646 CD LYS A 355 12.020 50.232 98.313 1.00 52.44 C
ATOM 2647 CE LYS A 355 12.995 49.925 97.084 1.00 55.32 C
ATOM 2648 NZ LYS A 355 12.734 48.551 96.501 1.00 58.71 N
ATOM 2649 C LYS A 355 13.063 50.321 102.903 1.00 37.78 C
ATOM 2650 O LYS A 355 14.243 50.231 103.279 1.00 38.48 O
ATOM 2651 N ASN A 356 12.052 49.737 103.566 1.00 38.62 N
ATOM 2652 CA ASN A 356 12.307 48.948 104.799 1.00 38.91 C
ATOM 2653 CB ASN A 356 12.802 49.846 105.936 1.00 39.27 C
ATOM 2654 CG ASN A 356 11.688 50.638 106.615 1.00 38.76 C
ATOM 2655 OD1 ASN A 356 11.263 50.276 107.671 1.00 39.49 O
ATOM 2656 ND2 ASN A 356 11.280 51.763 106.040 1.00 35.37 N
ATOM 2657 C ASN A 356 11.177 48.066 105.287 1.00 41.36 C
ATOM 2658 O ASN A 356 10.030 48.218 104.868 1.00 41.50 O
ATOM 2659 N ASP A 357 11.487 47.158 106.205 1.00 43.40 N
ATOM 2660 CA ASP A 357 10.474 46.268 106.760 1.00 46.48 C
ATOM 2661 CB ASP A 357 11.137 44.899 106.973 1.00 48.99 C
ATOM 2662 CG ASP A 357 11.057 44.048 105.731 1.00 56.50 C
ATOM 2663 OD1 ASP A 357 10.036 44.228 104.934 1.00 59.97 O
ATOM 2664 OD2 ASP A 357 12.017 43.221 105.554 1.00 62.71 O
ATOM 2665 C ASP A 357 9.769 46.627 108.084 1.00 46.10 C
ATOM 2666 O ASP A 357 8.981 45.811 108.599 1.00 46.73 O
ATOM 2667 N GLN A 358 10.056 47.782 108.672 1.00 44.37 N
ATOM 2668 CA GLN A 358 9.578 48.037 110.026 1.00 44.33 C
ATOM 2669 CB GLN A 358 10.677 48.586 110.885 1.00 45.42 C
ATOM 2670 CG GLN A 358 11.905 47.763 110.812 1.00 54.16 C
ATOM 2671 CD GLN A 358 11.965 46.931 112.025 1.00 65.14 C
ATOM 2672 OE1 GLN A 358 12.548 47.374 113.055 1.00 69.85 O
ATOM 2673 NE2 GLN A 358 11.292 45.742 111.990 1.00 66.42 N
ATOM 2674 C GLN A 358 8.489 49.034 110.045 1.00 42.26 C
ATOM 2675 O GLN A 358 7.543 48.890 110.809 1.00 43.48 O
ATOM 2676 N TRP A 359 8.605 50.045 109.206 1.00 38.04 N
ATOM 2677 CA TRP A 359 7.653 51.090 109.239 1.00 35.16 C
ATOM 2678 CB TRP A 359 8.171 52.239 110.105 1.00 33.28 C
ATOM 2679 CG TRP A 359 9.504 52.654 109.730 1.00 31.58 C
ATOM 2680 CD1 TRP A 359 10.695 52.244 110.301 1.00 31.18 C
ATOM 2681 NE1 TRP A 359 11.749 52.812 109.668 1.00 27.44 N
ATOM 2682 CE2 TRP A 359 11.270 53.637 108.683 1.00 29.50 C
ATOM 2683 CD2 TRP A 359 9.846 53.541 108.689 1.00 29.71 C
ATOM 2684 CE3 TRP A 359 9.093 54.280 107.742 1.00 28.54 C
ATOM 2685 CZ3 TRP A 359 9.763 55.079 106.834 1.00 30.27 C
ATOM 2686 CH2 TRP A 359 11.184 55.171 106.871 1.00 31.61 C
ATOM 2687 CZ2 TRP A 359 11.946 54.443 107.804 1.00 28.25 C
ATOM 2688 C TRP A 359 7.370 51.578 107.845 1.00 34.14 C
ATOM 2689 O TRP A 359 8.119 51.263 106.930 1.00 33.96 O
ATOM 2690 N ASN A 360 6.270 52.332 107.730 1.00 32.46 N
ATOM 2691 CA ASN A 360 5.837 53.018 106.543 1.00 31.55 C
ATOM 2692 CB ASN A 360 4.583 52.351 105.913 1.00 30.32 C
ATOM 2693 CG ASN A 360 3.305 52.430 106.798 1.00 32.79 C
ATOM 2694 OD1 ASN A 360 2.840 53.482 107.213 1.00 35.10 O
ATOM 2695 ND2 ASN A 360 2.719 51.303 107.031 1.00 33.70 N
ATOM 2696 C ASN A 360 5.629 54.470 106.956 1.00 30.64 C
ATOM 2697 O ASN A 360 5.795 54.800 108.126 1.00 31.08 O
ATOM 2698 N TRP A 361 5.317 55.349 106.021 1.00 30.23 N
ATOM 2699 CA TRP A 361 5.187 56.777 106.317 1.00 30.50 C
ATOM 2700 CB TRP A 361 5.234 57.608 105.032 1.00 28.82 C
ATOM 2701 CG TRP A 361 6.632 57.514 104.415 1.00 30.25 C
ATOM 2702 CD1 TRP A 361 7.093 56.578 103.455 1.00 30.45 C
ATOM 2703 NE1 TRP A 361 8.444 56.821 103.208 1.00 29.52 N
ATOM 2704 CE2 TRP A 361 8.874 57.854 104.005 1.00 27.49 C
ATOM 2705 CD2 TRP A 361 7.777 58.311 104.776 1.00 27.21 C
ATOM 2706 CE3 TRP A 361 7.966 59.412 105.649 1.00 23.83 C
ATOM 2707 CZ3 TRP A 361 9.213 59.967 105.761 1.00 28.66 C
ATOM 2708 CH2 TRP A 361 10.289 59.519 104.979 1.00 27.87 C
ATOM 2709 CZ2 TRP A 361 10.138 58.453 104.096 1.00 31.16 C
ATOM 2710 C TRP A 361 3.898 57.061 107.088 1.00 32.76 C
ATOM 2711 O TRP A 361 3.723 58.135 107.615 1.00 33.34 O
ATOM 2712 N ASP A 362 3.000 56.104 107.211 1.00 33.23 N
ATOM 2713 CA ASP A 362 1.829 56.412 107.983 1.00 35.14 C
ATOM 2714 CB ASP A 362 0.607 55.717 107.384 1.00 35.80 C
ATOM 2715 CG ASP A 362 0.148 56.384 106.058 1.00 38.50 C
ATOM 2716 OD1 ASP A 362 0.069 57.658 105.979 1.00 33.47 O
ATOM 2717 OD2 ASP A 362 -0.119 55.618 105.109 1.00 40.28 O
ATOM 2718 C ASP A 362 2.010 56.018 109.429 1.00 35.77 C
ATOM 2719 O ASP A 362 1.463 56.660 110.331 1.00 36.74 O
ATOM 2720 N ASN A 363 2.745 54.945 109.667 1.00 34.73 N
ATOM 2721 CA ASN A 363 2.800 54.457 111.002 1.00 34.24 C
ATOM 2722 CB ASN A 363 2.278 53.041 111.031 1.00 33.83 C
ATOM 2723 CG ASN A 363 3.304 52.038 110.527 1.00 37.89 C
ATOM 2724 OD1 ASN A 363 3.108 50.837 110.642 1.00 37.68 O
ATOM 2725 ND2 ASN A 363 4.398 52.525 109.964 1.00 37.10 N
ATOM 2726 C ASN A 363 4.179 54.538 111.677 1.00 33.73 C
ATOM 2727 O ASN A 363 4.339 53.958 112.711 1.00 33.80 O
ATOM 2728 N ILE A 364 5.159 55.277 111.140 1.00 33.13 N
ATOM 2729 CA ILE A 364 6.504 55.266 111.765 1.00 32.31 C
ATOM 2730 CB ILE A 364 7.488 56.134 111.048 1.00 31.39 C
ATOM 2731 CG1 ILE A 364 8.845 56.074 111.736 1.00 31.71 C
ATOM 2732 CD1 ILE A 364 10.006 56.277 110.808 1.00 30.29 C
ATOM 2733 CG2 ILE A 364 6.971 57.576 110.930 1.00 30.08 C
ATOM 2734 C ILE A 364 6.474 55.568 113.288 1.00 32.89 C
ATOM 2735 O ILE A 364 7.055 54.797 114.059 1.00 33.21 O
ATOM 2736 N ARG A 365 5.778 56.650 113.696 1.00 33.50 N
ATOM 2737 CA ARG A 365 5.643 57.083 115.120 1.00 33.38 C
ATOM 2738 CB ARG A 365 5.030 58.517 115.305 1.00 32.01 C
ATOM 2739 CG ARG A 365 6.074 59.555 115.705 1.00 34.90 C
ATOM 2740 CD ARG A 365 5.668 60.968 116.132 1.00 33.25 C
ATOM 2741 NE ARG A 365 5.377 60.718 117.496 1.00 44.83 N
ATOM 2742 CZ ARG A 365 6.022 61.134 118.566 1.00 44.17 C
ATOM 2743 NH1 ARG A 365 7.005 62.010 118.538 1.00 38.40 N
ATOM 2744 NH2 ARG A 365 5.573 60.638 119.703 1.00 44.74 N
ATOM 2745 C ARG A 365 4.966 56.079 116.042 1.00 33.82 C
ATOM 2746 O ARG A 365 5.038 56.256 117.237 1.00 34.18 O
ATOM 2747 N GLU A 366 4.380 54.989 115.526 1.00 34.79 N
ATOM 2748 CA GLU A 366 3.844 53.959 116.460 1.00 36.22 C
ATOM 2749 CB GLU A 366 2.346 53.727 116.299 1.00 35.36 C
ATOM 2750 CG GLU A 366 1.882 53.593 114.904 1.00 38.60 C
ATOM 2751 CD GLU A 366 0.396 53.241 114.740 1.00 41.61 C
ATOM 2752 OE1 GLU A 366 -0.519 53.883 115.332 1.00 47.06 O
ATOM 2753 OE2 GLU A 366 0.142 52.279 113.969 1.00 52.79 O
ATOM 2754 C GLU A 366 4.549 52.661 116.370 1.00 35.85 C
ATOM 2755 O GLU A 366 3.987 51.653 116.706 1.00 38.79 O
ATOM 2756 N THR A 367 5.792 52.675 115.929 1.00 35.14 N
ATOM 2757 CA THR A 367 6.628 51.489 115.849 1.00 33.25 C
ATOM 2758 CB THR A 367 7.155 51.253 114.395 1.00 32.60 C
ATOM 2759 OG1 THR A 367 7.962 52.334 114.024 1.00 30.57 O
ATOM 2760 CG2 THR A 367 6.020 51.225 113.380 1.00 28.06 C
ATOM 2761 C THR A 367 7.798 51.709 116.776 1.00 34.00 C
ATOM 2762 O THR A 367 8.067 52.806 117.229 1.00 35.55 O
ATOM 2763 N ALA A 368 8.513 50.655 117.073 1.00 34.96 N
ATOM 2764 CA ALA A 368 9.542 50.713 118.108 1.00 34.47 C
ATOM 2765 CB ALA A 368 10.138 49.334 118.326 1.00 32.94 C
ATOM 2766 C ALA A 368 10.605 51.634 117.693 1.00 33.87 C
ATOM 2767 O ALA A 368 11.187 51.431 116.648 1.00 36.54 O
ATOM 2768 N ALA A 369 10.906 52.625 118.507 1.00 33.95 N
ATOM 2769 CA ALA A 369 12.093 53.431 118.296 1.00 33.16 C
ATOM 2770 CB ALA A 369 12.107 54.585 119.328 1.00 33.07 C
ATOM 2771 C ALA A 369 13.381 52.612 118.402 1.00 33.81 C
ATOM 2772 O ALA A 369 13.416 51.615 119.133 1.00 33.02 O
ATOM 2773 N PRO A 370 14.463 53.039 117.703 1.00 34.52 N
ATOM 2774 CA PRO A 370 15.742 52.394 117.820 1.00 34.73 C
ATOM 2775 CB PRO A 370 16.640 53.231 116.878 1.00 35.45 C
ATOM 2776 CG PRO A 370 15.687 53.707 115.815 1.00 35.31 C
ATOM 2777 CD PRO A 370 14.516 54.100 116.678 1.00 34.88 C
ATOM 2778 C PRO A 370 16.314 52.458 119.194 1.00 35.28 C
ATOM 2779 O PRO A 370 16.953 51.509 119.636 1.00 35.31 O
ATOM 2780 N VAL A 371 16.162 53.615 119.829 1.00 35.94 N
ATOM 2781 CA VAL A 371 16.781 53.873 121.116 1.00 34.35 C
ATOM 2782 CB VAL A 371 17.782 54.970 121.027 1.00 34.44 C
ATOM 2783 CG1 VAL A 371 18.501 55.218 122.382 1.00 27.96 C
ATOM 2784 CG2 VAL A 371 18.712 54.629 119.950 1.00 37.32 C
ATOM 2785 C VAL A 371 15.680 54.304 122.016 1.00 34.58 C
ATOM 2786 O VAL A 371 15.218 55.437 121.910 1.00 34.52 O
ATOM 2787 N VAL A 372 15.244 53.357 122.846 1.00 34.52 N
ATOM 2788 CA VAL A 372 14.258 53.552 123.878 1.00 35.08 C
ATOM 2789 CB VAL A 372 13.624 52.245 124.198 1.00 35.35 C
ATOM 2790 CG1 VAL A 372 12.533 52.431 125.260 1.00 32.12 C
ATOM 2791 CG2 VAL A 372 13.146 51.580 122.885 1.00 35.83 C
ATOM 2792 C VAL A 372 15.014 53.994 125.111 1.00 35.91 C
ATOM 2793 O VAL A 372 15.896 53.300 125.583 1.00 35.69 O
ATOM 2794 N PRO A 373 14.682 55.157 125.640 1.00 36.35 N
ATOM 2795 CA PRO A 373 15.391 55.722 126.805 1.00 37.30 C
ATOM 2796 CB PRO A 373 14.598 57.016 127.077 1.00 38.24 C
ATOM 2797 CG PRO A 373 14.031 57.389 125.748 1.00 35.63 C
ATOM 2798 CD PRO A 373 13.597 56.023 125.189 1.00 35.76 C
ATOM 2799 C PRO A 373 15.226 54.775 127.995 1.00 37.53 C
ATOM 2800 O PRO A 373 14.182 54.161 128.094 1.00 37.70 O
ATOM 2801 N GLU A 374 16.218 54.631 128.875 1.00 37.99 N
ATOM 2802 CA GLU A 374 15.979 53.882 130.124 1.00 40.19 C
ATOM 2803 CB GLU A 374 16.915 52.696 130.290 1.00 41.51 C
ATOM 2804 CG GLU A 374 16.909 51.643 129.204 1.00 47.91 C
ATOM 2805 CD GLU A 374 18.117 50.724 129.469 1.00 57.87 C
ATOM 2806 OE1 GLU A 374 19.208 50.996 128.904 1.00 58.58 O
ATOM 2807 OE2 GLU A 374 18.007 49.808 130.344 1.00 62.47 O
ATOM 2808 C GLU A 374 16.126 54.779 131.347 1.00 38.84 C
ATOM 2809 O GLU A 374 17.238 55.114 131.771 1.00 39.57 O
ATOM 2810 N LEU A 375 15.002 55.151 131.916 1.00 38.10 N
ATOM 2811 CA LEU A 375 14.947 56.292 132.846 1.00 37.90 C
ATOM 2812 CB LEU A 375 13.843 57.262 132.419 1.00 35.99 C
ATOM 2813 CG LEU A 375 13.923 57.848 131.010 1.00 33.65 C
ATOM 2814 CD1 LEU A 375 12.771 58.715 130.726 1.00 29.96 C
ATOM 2815 CD2 LEU A 375 15.134 58.690 130.817 1.00 33.08 C
ATOM 2816 C LEU A 375 14.696 55.728 134.237 1.00 38.94 C
ATOM 2817 O LEU A 375 14.018 54.701 134.395 1.00 39.92 O
ATOM 2818 N SER A 376 15.264 56.342 135.252 1.00 39.16 N
ATOM 2819 CA SER A 376 15.009 55.798 136.562 1.00 40.33 C
ATOM 2820 CB SER A 376 16.299 55.683 137.359 1.00 39.03 C
ATOM 2821 OG SER A 376 16.978 56.874 137.188 1.00 41.86 O
ATOM 2822 C SER A 376 13.956 56.616 137.304 1.00 40.62 C
ATOM 2823 O SER A 376 13.494 56.229 138.343 1.00 41.40 O
ATOM 2824 N SER A 377 13.549 57.741 136.751 1.00 41.84 N
ATOM 2825 CA SER A 377 12.535 58.549 137.411 1.00 42.24 C
ATOM 2826 CB SER A 377 13.115 59.125 138.709 1.00 41.79 C
ATOM 2827 OG SER A 377 13.766 60.369 138.441 1.00 42.60 O
ATOM 2828 C SER A 377 12.004 59.674 136.486 1.00 42.61 C
ATOM 2829 O SER A 377 12.582 59.922 135.391 1.00 42.92 O
ATOM 2830 N ASP A 378 10.954 60.366 136.964 1.00 42.04 N
ATOM 2831 CA ASP A 378 10.345 61.483 136.276 1.00 41.37 C
ATOM 2832 CB ASP A 378 8.969 61.882 136.877 1.00 42.04 C
ATOM 2833 CG ASP A 378 9.056 62.583 138.264 1.00 45.26 C
ATOM 2834 OD1 ASP A 378 10.160 62.769 138.837 1.00 50.80 O
ATOM 2835 OD2 ASP A 378 7.992 62.968 138.809 1.00 46.80 O
ATOM 2836 C ASP A 378 11.289 62.662 136.149 1.00 41.25 C
ATOM 2837 O ASP A 378 11.025 63.616 135.381 1.00 40.65 O
ATOM 2838 N ILE A 379 12.391 62.618 136.878 1.00 41.08 N
ATOM 2839 CA ILE A 379 13.381 63.680 136.743 1.00 40.79 C
ATOM 2840 CB ILE A 379 13.445 64.591 137.974 1.00 40.38 C
ATOM 2841 CG1 ILE A 379 13.705 63.802 139.255 1.00 41.87 C
ATOM 2842 CD1 ILE A 379 15.116 63.972 139.850 1.00 42.04 C
ATOM 2843 CG2 ILE A 379 12.188 65.454 138.059 1.00 38.96 C
ATOM 2844 C ILE A 379 14.773 63.212 136.310 1.00 41.81 C
ATOM 2845 O ILE A 379 15.766 63.968 136.436 1.00 41.07 O
ATOM 2846 N ASP A 380 14.852 61.977 135.794 1.00 42.22 N
ATOM 2847 CA ASP A 380 16.098 61.537 135.180 1.00 43.18 C
ATOM 2848 CB ASP A 380 15.990 60.095 134.752 1.00 42.73 C
ATOM 2849 CG ASP A 380 17.255 59.606 134.100 1.00 46.91 C
ATOM 2850 OD1 ASP A 380 18.062 60.456 133.615 1.00 49.70 O
ATOM 2851 OD2 ASP A 380 17.459 58.376 134.036 1.00 48.32 O
ATOM 2852 C ASP A 380 16.503 62.422 133.965 1.00 43.74 C
ATOM 2853 O ASP A 380 15.901 62.373 132.913 1.00 44.14 O
ATOM 2854 N SER A 381 17.555 63.207 134.116 1.00 44.54 N
ATOM 2855 CA SER A 381 18.073 64.051 133.028 1.00 44.39 C
ATOM 2856 CB SER A 381 18.083 65.546 133.436 1.00 45.35 C
ATOM 2857 OG SER A 381 18.996 65.802 134.492 1.00 45.25 O
ATOM 2858 C SER A 381 19.459 63.609 132.561 1.00 43.64 C
ATOM 2859 O SER A 381 20.288 64.436 132.160 1.00 43.94 O
ATOM 2860 N SER A 382 19.693 62.300 132.575 1.00 42.24 N
ATOM 2861 CA SER A 382 20.986 61.758 132.215 1.00 41.25 C
ATOM 2862 CB SER A 382 21.142 60.277 132.645 1.00 40.55 C
ATOM 2863 OG SER A 382 20.062 59.514 132.161 1.00 39.78 O
ATOM 2864 C SER A 382 21.260 61.879 130.743 1.00 40.84 C
ATOM 2865 O SER A 382 22.386 61.792 130.353 1.00 40.50 O
ATOM 2866 N ASN A 383 20.247 62.064 129.907 1.00 40.97 N
ATOM 2867 CA ASN A 383 20.539 62.293 128.493 1.00 40.20 C
ATOM 2868 CB ASN A 383 19.421 61.741 127.643 1.00 39.70 C
ATOM 2869 CG ASN A 383 19.212 60.203 127.865 1.00 42.85 C
ATOM 2870 OD1 ASN A 383 20.133 59.398 127.670 1.00 44.46 O
ATOM 2871 ND2 ASN A 383 18.009 59.813 128.235 1.00 37.43 N
ATOM 2872 C ASN A 383 20.862 63.762 128.202 1.00 39.98 C
ATOM 2873 O ASN A 383 20.960 64.172 127.065 1.00 41.50 O
ATOM 2874 N PHE A 384 21.025 64.567 129.231 1.00 39.40 N
ATOM 2875 CA PHE A 384 21.440 65.933 129.049 1.00 40.03 C
ATOM 2876 CB PHE A 384 20.348 66.880 129.567 1.00 38.51 C
ATOM 2877 CG PHE A 384 19.040 66.856 128.726 1.00 38.62 C
ATOM 2878 CD1 PHE A 384 18.840 67.763 127.649 1.00 33.93 C
ATOM 2879 CE1 PHE A 384 17.676 67.727 126.881 1.00 31.98 C
ATOM 2880 CZ PHE A 384 16.710 66.810 127.176 1.00 32.54 C
ATOM 2881 CE2 PHE A 384 16.894 65.913 128.246 1.00 34.19 C
ATOM 2882 CD2 PHE A 384 18.013 65.948 129.017 1.00 34.71 C
ATOM 2883 C PHE A 384 22.803 66.185 129.746 1.00 41.45 C
ATOM 2884 O PHE A 384 22.954 65.968 130.947 1.00 41.92 O
ATOM 2885 N ASP A 385 23.805 66.610 128.991 1.00 43.25 N
ATOM 2886 CA ASP A 385 25.018 67.237 129.556 1.00 45.13 C
ATOM 2887 CB ASP A 385 25.623 68.131 128.499 1.00 45.45 C
ATOM 2888 CG ASP A 385 26.326 67.362 127.400 1.00 47.58 C
ATOM 2889 OD1 ASP A 385 26.225 66.107 127.333 1.00 45.29 O
ATOM 2890 OD2 ASP A 385 26.995 68.063 126.603 1.00 52.81 O
ATOM 2891 C ASP A 385 24.722 68.182 130.690 1.00 46.40 C
ATOM 2892 O ASP A 385 23.701 68.879 130.642 1.00 45.57 O
ATOM 2893 N ASP A 386 25.615 68.270 131.671 1.00 48.04 N
ATOM 2894 CA ASP A 386 25.466 69.311 132.703 1.00 51.63 C
ATOM 2895 CB ASP A 386 26.472 69.135 133.817 1.00 51.78 C
ATOM 2896 CG ASP A 386 26.301 67.842 134.542 1.00 57.66 C
ATOM 2897 OD1 ASP A 386 25.335 67.072 134.260 1.00 62.18 O
ATOM 2898 OD2 ASP A 386 27.146 67.586 135.424 1.00 65.39 O
ATOM 2899 C ASP A 386 25.724 70.673 132.124 1.00 52.86 C
ATOM 2900 O ASP A 386 26.475 70.797 131.166 1.00 52.43 O
ATOM 2901 N ILE A 387 25.101 71.692 132.710 1.00 55.32 N
ATOM 2902 CA ILE A 387 25.447 73.085 132.413 1.00 57.48 C
ATOM 2903 CB ILE A 387 24.266 73.814 131.718 1.00 57.01 C
ATOM 2904 CG1 ILE A 387 24.128 73.318 130.278 1.00 54.09 C
ATOM 2905 CD1 ILE A 387 22.780 73.309 129.840 1.00 44.20 C
ATOM 2906 CG2 ILE A 387 24.448 75.343 131.703 1.00 57.03 C
ATOM 2907 C ILE A 387 25.954 73.804 133.695 1.00 60.57 C
ATOM 2908 O ILE A 387 25.339 73.691 134.768 1.00 60.26 O
ATOM 2909 N GLU A 388 27.099 74.492 133.576 1.00 63.67 N
ATOM 2910 CA GLU A 388 27.588 75.403 134.624 1.00 66.91 C
ATOM 2911 CB GLU A 388 29.068 75.754 134.387 1.00 67.17 C
ATOM 2912 CG GLU A 388 30.118 74.651 134.750 1.00 69.49 C
ATOM 2913 CD GLU A 388 31.554 74.970 134.182 1.00 69.87 C
ATOM 2914 OE1 GLU A 388 31.705 75.100 132.935 1.00 72.41 O
ATOM 2915 OE2 GLU A 388 32.531 75.100 134.970 1.00 72.30 O
ATOM 2916 C GLU A 388 26.758 76.696 134.594 1.00 67.15 C
ATOM 2917 O GLU A 388 26.994 77.639 135.367 1.00 68.78 O
ATOM 2918 N VAL A 394 21.205 88.302 136.254 1.00 95.00 N
ATOM 2919 CA VAL A 394 20.564 89.179 137.223 1.00 95.00 C
ATOM 2920 CB VAL A 394 20.766 88.674 138.728 1.00 95.00 C
ATOM 2921 CG1 VAL A 394 19.816 87.493 139.061 1.00 95.00 C
ATOM 2922 CG2 VAL A 394 22.275 88.327 139.075 1.00 95.00 C
ATOM 2923 C VAL A 394 21.047 90.633 137.034 1.00 95.00 C
ATOM 2924 O VAL A 394 22.169 90.973 137.460 1.00 95.00 O
ATOM 2925 N GLU A 395 20.216 91.459 136.364 1.00 95.00 N
ATOM 2926 CA GLU A 395 20.418 92.932 136.164 1.00 95.00 C
ATOM 2927 CB GLU A 395 21.225 93.237 134.899 1.00 95.00 C
ATOM 2928 CG GLU A 395 22.590 92.607 134.806 1.00 95.00 C
ATOM 2929 CD GLU A 395 22.729 91.725 133.559 1.00 95.00 C
ATOM 2930 OE1 GLU A 395 23.586 92.048 132.702 1.00 95.00 O
ATOM 2931 OE2 GLU A 395 21.973 90.720 133.424 1.00 95.00 O
ATOM 2932 C GLU A 395 19.088 93.681 135.997 1.00 95.00 C
ATOM 2933 O GLU A 395 18.395 93.492 134.988 1.00 95.00 O
ATOM 2934 N THR A 396 18.760 94.560 136.947 1.00 95.00 N
ATOM 2935 CA THR A 396 17.537 95.380 136.867 1.00 95.00 C
ATOM 2936 CB THR A 396 17.273 96.240 138.166 1.00 95.00 C
ATOM 2937 OG1 THR A 396 17.944 95.679 139.296 1.00 95.00 O
ATOM 2938 CG2 THR A 396 15.750 96.364 138.473 1.00 95.00 C
ATOM 2939 C THR A 396 17.587 96.360 135.687 1.00 95.00 C
ATOM 2940 O THR A 396 18.669 96.719 135.202 1.00 95.00 O
ATOM 2941 N PHE A 397 16.408 96.784 135.234 1.00 92.98 N
ATOM 2942 CA PHE A 397 16.300 97.986 134.418 1.00 90.98 C
ATOM 2943 CB PHE A 397 14.881 98.146 133.846 1.00 90.45 C
ATOM 2944 CG PHE A 397 14.558 97.224 132.697 1.00 89.13 C
ATOM 2945 CD1 PHE A 397 13.565 96.245 132.832 1.00 89.02 C
ATOM 2946 CE1 PHE A 397 13.249 95.391 131.766 1.00 87.97 C
ATOM 2947 CZ PHE A 397 13.926 95.523 130.545 1.00 88.16 C
ATOM 2948 CE2 PHE A 397 14.907 96.500 130.395 1.00 87.23 C
ATOM 2949 CD2 PHE A 397 15.215 97.348 131.471 1.00 88.22 C
ATOM 2950 C PHE A 397 16.632 99.226 135.276 1.00 89.81 C
ATOM 2951 O PHE A 397 16.282 99.278 136.463 1.00 89.17 O
ATOM 2952 N PRO A 398 17.317 100.222 134.674 1.00 88.85 N
ATOM 2953 CA PRO A 398 17.390 101.554 135.289 1.00 87.72 C
ATOM 2954 CB PRO A 398 17.908 102.441 134.146 1.00 87.97 C
ATOM 2955 CG PRO A 398 18.535 101.510 133.118 1.00 88.11 C
ATOM 2956 CD PRO A 398 18.061 100.121 133.392 1.00 88.75 C
ATOM 2957 C PRO A 398 15.976 102.016 135.666 1.00 86.72 C
ATOM 2958 O PRO A 398 15.089 101.977 134.796 1.00 86.97 O
ATOM 2959 N ILE A 399 15.738 102.410 136.923 1.00 84.93 N
ATOM 2960 CA ILE A 399 14.450 103.010 137.280 1.00 83.66 C
ATOM 2961 CB ILE A 399 14.384 103.446 138.744 1.00 83.65 C
ATOM 2962 CG1 ILE A 399 14.156 102.239 139.662 1.00 84.47 C
ATOM 2963 CD1 ILE A 399 15.434 101.374 140.002 1.00 86.28 C
ATOM 2964 CG2 ILE A 399 13.253 104.464 138.964 1.00 83.57 C
ATOM 2965 C ILE A 399 14.260 104.202 136.342 1.00 83.23 C
ATOM 2966 O ILE A 399 15.182 104.997 136.174 1.00 83.36 O
ATOM 2967 N PRO A 400 13.084 104.324 135.691 1.00 82.55 N
ATOM 2968 CA PRO A 400 13.096 105.182 134.498 1.00 81.92 C
ATOM 2969 CB PRO A 400 12.008 104.565 133.646 1.00 81.70 C
ATOM 2970 CG PRO A 400 10.982 104.160 134.705 1.00 82.01 C
ATOM 2971 CD PRO A 400 11.740 103.783 135.951 1.00 82.06 C
ATOM 2972 C PRO A 400 12.777 106.664 134.804 1.00 81.46 C
ATOM 2973 O PRO A 400 12.139 106.990 135.843 1.00 81.26 O
ATOM 2974 N LYS A 401 13.231 107.548 133.911 1.00 80.36 N
ATOM 2975 CA LYS A 401 13.034 108.993 134.103 1.00 79.32 C
ATOM 2976 CB LYS A 401 14.131 109.821 133.410 1.00 79.54 C
ATOM 2977 CG LYS A 401 15.480 109.877 134.160 1.00 81.57 C
ATOM 2978 CD LYS A 401 15.433 110.758 135.452 1.00 84.08 C
ATOM 2979 CE LYS A 401 15.272 109.922 136.757 1.00 84.45 C
ATOM 2980 NZ LYS A 401 15.309 110.779 137.978 1.00 83.56 N
ATOM 2981 C LYS A 401 11.634 109.399 133.647 1.00 77.64 C
ATOM 2982 O LYS A 401 10.832 109.887 134.441 1.00 77.74 O
ATOM 2983 N ALA A 402 11.356 109.179 132.370 1.00 75.13 N
ATOM 2984 CA ALA A 402 10.013 109.319 131.834 1.00 72.44 C
ATOM 2985 CB ALA A 402 9.957 110.455 130.795 1.00 72.55 C
ATOM 2986 C ALA A 402 9.619 107.966 131.222 1.00 70.22 C
ATOM 2987 O ALA A 402 10.479 107.105 131.008 1.00 70.48 O
ATOM 2988 N PHE A 403 8.327 107.774 130.961 1.00 66.92 N
ATOM 2989 CA PHE A 403 7.827 106.533 130.406 1.00 62.82 C
ATOM 2990 CB PHE A 403 6.356 106.723 130.065 1.00 61.85 C
ATOM 2991 CG PHE A 403 5.727 105.538 129.410 1.00 59.76 C
ATOM 2992 CD1 PHE A 403 5.054 104.598 130.165 1.00 56.27 C
ATOM 2993 CE1 PHE A 403 4.497 103.504 129.563 1.00 55.36 C
ATOM 2994 CZ PHE A 403 4.591 103.323 128.187 1.00 56.34 C
ATOM 2995 CE2 PHE A 403 5.267 104.230 127.420 1.00 56.43 C
ATOM 2996 CD2 PHE A 403 5.830 105.349 128.028 1.00 57.52 C
ATOM 2997 C PHE A 403 8.656 106.001 129.199 1.00 62.37 C
ATOM 2998 O PHE A 403 8.907 106.739 128.247 1.00 61.84 O
ATOM 2999 N VAL A 404 9.069 104.721 129.251 1.00 61.72 N
ATOM 3000 CA VAL A 404 9.878 104.078 128.173 1.00 60.92 C
ATOM 3001 CB VAL A 404 11.354 103.809 128.626 1.00 61.05 C
ATOM 3002 CG1 VAL A 404 12.018 105.141 129.033 1.00 62.90 C
ATOM 3003 CG2 VAL A 404 11.451 102.842 129.817 1.00 60.29 C
ATOM 3004 C VAL A 404 9.227 102.828 127.596 1.00 59.43 C
ATOM 3005 O VAL A 404 9.540 102.375 126.505 1.00 59.11 O
ATOM 3006 N GLY A 405 8.317 102.270 128.364 1.00 58.99 N
ATOM 3007 CA GLY A 405 7.474 101.181 127.898 1.00 58.93 C
ATOM 3008 C GLY A 405 8.141 99.831 127.718 1.00 58.76 C
ATOM 3009 O GLY A 405 8.003 99.185 126.661 1.00 58.22 O
ATOM 3010 N ASN A 406 8.838 99.382 128.751 1.00 57.94 N
ATOM 3011 CA ASN A 406 9.597 98.138 128.607 1.00 57.68 C
ATOM 3012 CB ASN A 406 10.783 98.055 129.577 1.00 57.69 C
ATOM 3013 CG ASN A 406 11.888 99.050 129.247 1.00 57.42 C
ATOM 3014 OD1 ASN A 406 12.379 99.182 128.095 1.00 52.77 O
ATOM 3015 ND2 ASN A 406 12.314 99.746 130.291 1.00 59.05 N
ATOM 3016 C ASN A 406 8.800 96.853 128.684 1.00 56.23 C
ATOM 3017 O ASN A 406 9.298 95.835 128.258 1.00 56.38 O
ATOM 3018 N GLN A 407 7.608 96.901 129.259 1.00 55.01 N
ATOM 3019 CA GLN A 407 6.708 95.758 129.293 1.00 53.74 C
ATOM 3020 CB GLN A 407 5.782 95.837 130.511 1.00 54.51 C
ATOM 3021 CG GLN A 407 6.513 95.813 131.856 1.00 54.95 C
ATOM 3022 CD GLN A 407 7.510 94.666 132.011 1.00 53.57 C
ATOM 3023 OE1 GLN A 407 7.482 93.689 131.289 1.00 53.70 O
ATOM 3024 NE2 GLN A 407 8.372 94.787 132.979 1.00 54.93 N
ATOM 3025 C GLN A 407 5.848 95.637 128.032 1.00 52.59 C
ATOM 3026 O GLN A 407 5.241 94.608 127.822 1.00 53.75 O
ATOM 3027 N LEU A 408 5.826 96.661 127.185 1.00 50.24 N
ATOM 3028 CA LEU A 408 4.956 96.686 126.011 1.00 48.11 C
ATOM 3029 CB LEU A 408 5.111 97.988 125.225 1.00 46.33 C
ATOM 3030 CG LEU A 408 4.787 99.328 125.873 1.00 46.55 C
ATOM 3031 CD1 LEU A 408 5.123 100.359 124.868 1.00 46.17 C
ATOM 3032 CD2 LEU A 408 3.322 99.484 126.284 1.00 44.28 C
ATOM 3033 C LEU A 408 5.184 95.550 125.032 1.00 47.51 C
ATOM 3034 O LEU A 408 4.258 95.089 124.378 1.00 48.58 O
ATOM 3035 N PRO A 409 6.438 95.178 124.814 1.00 46.69 N
ATOM 3036 CA PRO A 409 6.593 94.231 123.719 1.00 45.05 C
ATOM 3037 CB PRO A 409 8.100 94.237 123.447 1.00 45.30 C
ATOM 3038 CG PRO A 409 8.620 95.468 124.168 1.00 45.96 C
ATOM 3039 CD PRO A 409 7.732 95.628 125.356 1.00 46.40 C
ATOM 3040 C PRO A 409 6.106 92.840 124.052 1.00 43.08 C
ATOM 3041 O PRO A 409 5.966 92.055 123.162 1.00 43.53 O
ATOM 3042 N PHE A 410 5.803 92.559 125.295 1.00 42.19 N
ATOM 3043 CA PHE A 410 5.371 91.232 125.730 1.00 41.95 C
ATOM 3044 CB PHE A 410 6.214 90.840 126.930 1.00 42.49 C
ATOM 3045 CG PHE A 410 7.600 91.264 126.805 1.00 41.02 C
ATOM 3046 CD1 PHE A 410 8.422 90.650 125.894 1.00 40.00 C
ATOM 3047 CE1 PHE A 410 9.752 91.057 125.737 1.00 44.93 C
ATOM 3048 CZ PHE A 410 10.280 92.128 126.534 1.00 46.60 C
ATOM 3049 CE2 PHE A 410 9.424 92.773 127.456 1.00 48.35 C
ATOM 3050 CD2 PHE A 410 8.079 92.322 127.583 1.00 44.50 C
ATOM 3051 C PHE A 410 3.865 91.090 126.081 1.00 42.00 C
ATOM 3052 O PHE A 410 3.417 90.107 126.753 1.00 41.56 O
ATOM 3053 N ILE A 411 3.105 92.106 125.675 1.00 41.65 N
ATOM 3054 CA ILE A 411 1.681 92.146 125.926 1.00 41.43 C
ATOM 3055 CB ILE A 411 1.086 93.537 125.613 1.00 41.30 C
ATOM 3056 CG1 ILE A 411 1.204 94.456 126.829 1.00 43.07 C
ATOM 3057 CD1 ILE A 411 0.909 96.016 126.567 1.00 39.79 C
ATOM 3058 CG2 ILE A 411 -0.381 93.418 125.218 1.00 43.14 C
ATOM 3059 C ILE A 411 1.175 91.143 124.957 1.00 41.00 C
ATOM 3060 O ILE A 411 1.404 91.300 123.790 1.00 40.69 O
ATOM 3061 N GLY A 412 0.522 90.086 125.427 1.00 41.84 N
ATOM 3062 CA GLY A 412 -0.017 89.070 124.487 1.00 41.87 C
ATOM 3063 C GLY A 412 0.735 87.763 124.641 1.00 42.09 C
ATOM 3064 O GLY A 412 0.361 86.739 124.085 1.00 42.93 O
ATOM 3065 N PHE A 413 1.767 87.775 125.464 1.00 40.65 N
ATOM 3066 CA PHE A 413 2.496 86.569 125.699 1.00 39.57 C
ATOM 3067 CB PHE A 413 3.897 86.866 126.332 1.00 38.41 C
ATOM 3068 CG PHE A 413 4.833 85.709 126.179 1.00 38.36 C
ATOM 3069 CD1 PHE A 413 5.325 85.376 124.915 1.00 37.51 C
ATOM 3070 CE1 PHE A 413 6.114 84.281 124.730 1.00 32.18 C
ATOM 3071 CZ PHE A 413 6.393 83.476 125.817 1.00 34.95 C
ATOM 3072 CE2 PHE A 413 5.889 83.755 127.046 1.00 31.90 C
ATOM 3073 CD2 PHE A 413 5.100 84.870 127.235 1.00 34.30 C
ATOM 3074 C PHE A 413 1.695 85.467 126.476 1.00 38.92 C
ATOM 3075 O PHE A 413 1.814 84.245 126.184 1.00 36.63 O
ATOM 3076 N THR A 414 0.892 85.920 127.450 1.00 38.29 N
ATOM 3077 CA THR A 414 0.301 84.999 128.431 1.00 38.16 C
ATOM 3078 CB THR A 414 -0.510 85.713 129.587 1.00 38.02 C
ATOM 3079 OG1 THR A 414 0.353 86.594 130.322 1.00 36.95 O
ATOM 3080 CG2 THR A 414 -1.012 84.707 130.605 1.00 35.45 C
ATOM 3081 C THR A 414 -0.541 83.942 127.755 1.00 37.91 C
ATOM 3082 O THR A 414 -1.283 84.226 126.850 1.00 38.51 O
ATOM 3083 N TYR A 415 -0.416 82.702 128.160 1.00 37.98 N
ATOM 3084 CA TYR A 415 -1.266 81.736 127.510 1.00 39.03 C
ATOM 3085 CB TYR A 415 -0.684 81.310 126.141 1.00 37.72 C
ATOM 3086 CG TYR A 415 -1.238 80.045 125.640 1.00 34.98 C
ATOM 3087 CD1 TYR A 415 -2.391 80.059 124.877 1.00 33.03 C
ATOM 3088 CE1 TYR A 415 -2.950 78.879 124.430 1.00 36.52 C
ATOM 3089 CZ TYR A 415 -2.371 77.647 124.787 1.00 37.03 C
ATOM 3090 OH TYR A 415 -2.964 76.512 124.281 1.00 38.88 O
ATOM 3091 CE2 TYR A 415 -1.192 77.600 125.571 1.00 34.26 C
ATOM 3092 CD2 TYR A 415 -0.635 78.804 125.963 1.00 34.19 C
ATOM 3093 C TYR A 415 -1.533 80.544 128.442 1.00 40.78 C
ATOM 3094 O TYR A 415 -0.587 79.999 128.999 1.00 37.79 O
ATOM 3095 N TYR A 416 -2.821 80.186 128.593 1.00 43.82 N
ATOM 3096 CA TYR A 416 -3.228 78.972 129.364 1.00 48.85 C
ATOM 3097 CB TYR A 416 -3.980 79.323 130.656 1.00 50.15 C
ATOM 3098 CG TYR A 416 -3.143 80.148 131.575 1.00 51.68 C
ATOM 3099 CD1 TYR A 416 -2.006 79.617 132.147 1.00 50.97 C
ATOM 3100 CE1 TYR A 416 -1.197 80.360 132.941 1.00 54.15 C
ATOM 3101 CZ TYR A 416 -1.541 81.666 133.223 1.00 55.37 C
ATOM 3102 OH TYR A 416 -0.741 82.406 134.095 1.00 56.41 O
ATOM 3103 CE2 TYR A 416 -2.714 82.217 132.691 1.00 55.13 C
ATOM 3104 CD2 TYR A 416 -3.476 81.470 131.849 1.00 53.08 C
ATOM 3105 C TYR A 416 -4.025 77.956 128.567 1.00 50.78 C
ATOM 3106 O TYR A 416 -5.030 78.277 127.920 1.00 51.06 O
ATOM 3107 N ARG A 417 -3.530 76.727 128.576 1.00 54.12 N
ATOM 3108 CA ARG A 417 -4.241 75.628 127.914 1.00 56.56 C
ATOM 3109 CB ARG A 417 -3.298 74.436 127.743 1.00 56.95 C
ATOM 3110 CG ARG A 417 -3.468 73.769 126.463 1.00 60.66 C
ATOM 3111 CD ARG A 417 -2.302 72.848 126.241 1.00 68.54 C
ATOM 3112 NE ARG A 417 -2.730 71.478 126.450 1.00 74.80 N
ATOM 3113 CZ ARG A 417 -3.348 70.739 125.521 1.00 80.13 C
ATOM 3114 NH1 ARG A 417 -3.581 71.262 124.301 1.00 80.56 N
ATOM 3115 NH2 ARG A 417 -3.726 69.473 125.798 1.00 80.32 N
ATOM 3116 C ARG A 417 -5.453 75.213 128.764 1.00 56.37 C
ATOM 3117 O ARG A 417 -6.590 75.582 128.469 1.00 57.71 O
ATOM 3118 O1 ERL A 501 17.152 71.127 124.859 1.00 37.90 O
ATOM 3119 S ERL A 501 16.472 72.399 125.268 1.00 37.66 S
ATOM 3120 O2 ERL A 501 17.060 72.735 126.555 1.00 40.96 O
ATOM 3121 C1 ERL A 501 14.842 72.171 125.280 1.00 34.57 C
ATOM 3122 C10 ERL A 501 14.166 71.080 125.859 1.00 31.65 C
ATOM 3123 C9 ERL A 501 14.796 70.083 126.588 1.00 32.12 C
ATOM 3124 C8 ERL A 501 14.018 69.085 127.180 1.00 31.13 C
ATOM 3125 N7 ERL A 501 12.677 69.007 127.033 1.00 30.07 N
ATOM 3126 C6 ERL A 501 11.992 69.930 126.377 1.00 32.81 C
ATOM 3127 C5 ERL A 501 12.664 70.989 125.773 1.00 34.27 C
ATOM 3128 C4 ERL A 501 11.941 71.935 125.076 1.00 32.39 C
ATOM 3129 C3 ERL A 501 12.655 72.979 124.476 1.00 34.28 C
ATOM 3130 C2 ERL A 501 14.049 73.090 124.566 1.00 31.77 C
ATOM 3131 N1' ERL A 501 16.748 73.315 124.072 1.00 43.88 N
ATOM 3132 C2' ERL A 501 16.645 72.591 122.760 1.00 47.35 C
ATOM 3133 C3' ERL A 501 16.839 73.490 121.514 1.00 48.61 C
ATOM 3134 N4' ERL A 501 18.113 74.234 121.483 1.00 49.69 N
ATOM 3135 C5' ERL A 501 19.004 74.392 122.641 1.00 48.13 C
ATOM 3136 C6' ERL A 501 18.410 75.248 123.763 1.00 48.02 C
ATOM 3137 C7' ERL A 501 17.009 74.769 124.237 1.00 47.97 C

(Example 7) Structural analysis of single crystal by X-ray crystal diffraction 2
Regarding the single crystal obtained in Example 4, as in Example 6 above, the electron density was observed in the crystal structure by X-ray crystal diffraction, and the atomic model was constructed and the coordinates were refined. The crystals were diffracted using 20% (w/v) glycerol as an antifreeze condition and using the X-ray generator FR-E or the data acquisition device (DIP-2040 imaging plate reader) on the Spring-8 beamline BL44XU The strength was measured. The obtained data set was integrated and statistically processed by DENZO/Scalepack (software), corrected and averaged and integrated. Using the obtained data, the initial phase was determined by the molecular replacement method based on the crystal structure of Example 3. The program molrep included in the program suite CCP4 was used to search for molecules in the molecular replacement method. Initial refinement was performed by simulated annealing in the program CNS. Further, the atomic model construction in Program O and the refinement by the program refmac5 included in the program suite CCP4 were repeated, and the atomic model of R-factor 21.0% and Free R-factor 27.4% was obtained.

  As described above, from the analysis results of the structural data of the kinase domain of Rho kinase of the present invention and the kinase inhibitor by X-ray crystal diffraction, it is possible to determine which amino acid residue is related to the interaction between the kinase domain and the kinase inhibitor. I was able to clarify whether I was involved in. This makes it possible to screen compounds such as inhibitors that inhibit the enzymatic activity of Rho kinase by virtual screening on a computer using the three-dimensional structural coordinates of the kinase domain and the kinase inhibitor, and thus the novel Rho kinase Inhibitor drug design is now possible. The novel Rho kinase inhibitors obtained by this method can be provided for pharmaceutical use, for example.

[0002]
It seems that the crystal structure of 6% or less of known protein kinases has been analyzed (Non-Patent Document 1). Although there is a report on the structure of a complex of protein kinase A (PKA) and Rho kinase inhibitors (Y-27632, Fasudil and H-1152P) (Non-patent document 2), a region containing the kinase domain of Rho kinase is reported. There were no reports of complexes of Rho-kinase inhibitors, and there was no valid method for crystallization and three-dimensional structural analysis of Rho-kinase domains. Therefore, despite its importance in biology, medicine, and pharmacy, the three-dimensional structure was unknown.
[Non-Patent Document 1] Science, 298, 1912-1934 (2002).
[Non-Patent Document 2] Structure, 11, 1595-1607 (2003).
DISCLOSURE OF THE INVENTION
[Problems to be Solved by the Invention]
[0006]
The present invention provides a crystal of a complex of Rho kinase and a substance having its interaction, a method for preparing the crystal, acquisition of structural data by X-ray crystal diffraction using the crystal, and structural data by X-ray crystal diffraction. It is an object of the present invention to provide a screening method for a substance that interacts with the Rho kinase used.
[Means for Solving the Problems]
[0007]
As a result of intensive studies to solve the above problems, the present inventors have established a protein expression system and a purification method capable of efficiently preparing the kinase domain of Rho kinase. Crystals of a complex of the Rho kinase kinase domain obtained by this method and a substance that interacts with Rho kinase were prepared, and their three-dimensional structural coordinates were clarified by X-ray crystal diffraction. Further, from the obtained three-dimensional structural coordinates, it was clarified which amino acid residue in the kinase domain of Rho kinase is related to how the substance interacts with Rho kinase, and how the present invention was completed. ..
[0008]
That is, the present invention consists of the following.
1. A kinase domain polypeptide consisting of a portion of Rho kinase, which is an isolated and purified polypeptide selected from any of the following 1) to 3):
1) a polypeptide comprising an amino acid sequence starting from one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1;

[0003]
2) a polypeptide consisting of the amino acid sequence shown in SEQ ID NO: 2 or 3;
3) A polypeptide comprising an amino acid sequence having a homology of 90% or more with the amino acid sequence shown in SEQ ID NO: 2 or 3.
2. A polynucleotide encoding the polypeptide according to item 1 above.
3. A recombinant vector comprising the polynucleotide according to item 2 above.
4. A transformant transformed with the polynucleotide according to item 2 or the recombinant vector according to item 3.
5. A method for producing the polypeptide according to item 1, which comprises a step of expressing the polypeptide using the transformant according to item 4.
6. A complex crystal of a kinase domain polypeptide comprising a part of Rho-kinase and a substance having an interaction with Rho-kinase, wherein the unit cell constants are: a is 89 to 104Å; b is 89 to 104Å; c is 254 to A crystal that is 345Å.
7. The crystal according to item 6, wherein the composite crystal is specified by any of the following:
1) Crystals having unit cell constants a of 101.5 to 103.5Å; b of 101.5 to 103.5Å; c of 254.6 to 259.7Å and belonging to the tetragonal space group P4 ₁ 2 ₁ 2 ;
2) unit cell constants, a is 89.7~91.7Å; b is 89.7~91.7Å; c crystals belonging to the hexagonal space group _P6 2 22 in 337.7～344.5A.
8. The crystal according to the above 6 or 7, wherein the kinase domain polypeptide is a polypeptide selected from the following 1) to 3):
1) a polypeptide comprising an amino acid sequence starting from one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1;
2) a polypeptide consisting of the amino acid sequence shown in SEQ ID NO: 2 or 3;
3) A polypeptide comprising an amino acid sequence having a homology of 90% or more with the amino acid sequence shown in SEQ ID NO: 2 or 3.
9. 9. The crystal according to any one of items 6 to 8 above, wherein the substance that interacts with Rho kinase is a Rho kinase inhibitor.
10. 10. The crystal according to any one of items 6 to 9 above, wherein the Rho kinase inhibitor is a homopiperazine derivative or a pyridine derivative.

[0004]
11. The method for preparing a crystal according to any one of items 6 to 10 above, which comprises the following steps:
1) a step of mixing a solution containing 1 to 40 mg/ml of a polypeptide consisting of a mammalian Rho kinase and a solution containing 0.01 to 10 mM of a substance having an interaction with Rho kinase;
2) a step of obtaining crystals by vapor diffusion equilibrium method using a solution containing ammonium sulfate, sodium citrate, polyethylene glycol and ammonium sulfate,
3) The crystal obtained in the above 2) is further treated with a solution in which the concentration of sodium citrate is changed from at least two selected from 0.075M to 1M, and a single crystal is obtained by a vapor diffusion equilibrium method. The process of obtaining.
12. A method for screening a substance having an interaction with Rho kinase, which comprises using a three-dimensional coordinate obtained by high-resolution X-ray crystal diffraction of the crystal according to any one of items 6 to 10 above.
13. 13. The screening method according to item 12 above, wherein the use of three-dimensional coordinates searches for a drug from a virtual compound library based on computer processing information obtained by computer processing the three-dimensional coordinates and performs virtual screening.
14. Computer graphics analysis using the three-dimensional coordinates obtained by high-resolution X-ray crystal diffraction of the crystal described in any one of the above items 6 to 10, and designing the structure of the drug from the obtained analysis results. A method of drug design of a substance having an interaction with Rho kinase, which is characterized.
15. A complex crystal comprising a Rho kinase inhibitor and a kinase domain polypeptide comprising a polypeptide selected from any of the following 1) to 3), and having a unit cell constant of: Crystals in which a is 89 to 104Å; b is 89 to 104Å; c is 254 to 345Å:
1) a polypeptide consisting of an amino acid sequence shown in SEQ ID NO: 1, which starts at one of the 18th to 86th amino acids and ends at the 417th amino acid;
2) a polypeptide consisting of the amino acid sequence shown in SEQ ID NO: 2 or 3;
3) A polypeptide comprising an amino acid sequence having 90% or more homology with the amino acid sequence shown in SEQ ID NO: 2 or 3.
16. The crystal according to the above item 15, wherein the composite crystal is specified by any of the following:
1) Crystals having unit cell constants a of 101.5 to 103.5Å; b of 101.5 to 103.5Å; c of 254.6 to 259.7Å and belonging to the tetragonal space group P4 ₁ 2 ₁ 2 ;
2) unit cell constants, a is 89.7~91.7Å; b is 89.7~91.7Å; c crystals belonging to the hexagonal space group _P6 2 22 in 337.7～344.5A.
17. The crystal according to the above 15 or 16, wherein the Rho kinase inhibitor is a homopiperazine derivative or a pyridine derivative.
【The invention's effect】
[0009]
Rho kinase is a protein that is difficult to prepare in large quantities. Expression according to the invention

Claims (14)

A kinase domain polypeptide consisting of a portion of Rho kinase, which is an isolated and purified polypeptide selected from any of the following 1) to 4):
1) A polypeptide comprising an amino acid sequence containing the 98th isoleucine, the 172nd methionine, the 176th aspartic acid, and the 231st alanine of the amino acid sequence shown in SEQ ID NO: 1;
2) a polypeptide comprising an amino acid beginning at one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1;
3) a polypeptide comprising the amino acid sequence shown in SEQ ID NO: 2 or 3;
4) A polypeptide comprising an amino acid sequence having a homology of 90% or more with the amino acid sequence shown in SEQ ID NO: 2 or 3. A polynucleotide encoding any of the polypeptides of claim 1. A recombinant vector comprising the polynucleotide according to claim 2. A transformant transformed with the polynucleotide according to claim 2 or the recombinant vector according to claim 3. The method for producing the polypeptide according to claim 1, which comprises a step of expressing the polypeptide using the transformant according to claim 4. A complex crystal of a kinase domain polypeptide comprising a part of Rho kinase and a substance interacting with Rho kinase, wherein the unit cell constant is a: 89 to 104Å; b: 89 to 104Å; c: 254 to A crystal that is 345Å. The crystal according to claim 6, wherein the composite crystal is specified by any of the following:
1) A unit cell constant of a is 101.5 to 103.5Å; b is 101.5 to 103.5Å; c is 254.6 to 259.7Å and belongs to the tetragonal space group P4 _{1 1} 2 ₁ 2;
2) unit cell constants, a is 89.7~91.7Å; b is 89.7~91.7Å; c crystals belonging to the hexagonal space group P6 ₂ 22 in 337.7～344.5A. The crystal according to claim 6 or 7, wherein the kinase domain polypeptide is a polypeptide selected from any of the following 1) to 4):
1) A polypeptide comprising an amino acid sequence containing the 98th isoleucine, the 172nd methionine, the 176th aspartic acid, and the 231st alanine of the amino acid sequence shown in SEQ ID NO: 1;
2) a polypeptide comprising an amino acid beginning at one of the 18th to 86th amino acids and ending at the 417th amino acid of the amino acid sequence shown in SEQ ID NO: 1;
3) a polypeptide comprising the amino acid sequence shown in SEQ ID NO: 2 or 3;
4) A polypeptide comprising an amino acid sequence having a homology of 90% or more with the amino acid sequence shown in SEQ ID NO: 2 or 3. The crystal according to any one of claims 6 to 8, wherein the substance that interacts with Rho kinase is a Rho kinase inhibitor. The crystal according to any one of claims 6 to 9, wherein the Rho kinase inhibitor is a homopiperazine derivative or a pyridine derivative. The method for preparing a crystal according to any one of claims 6 to 10, which comprises the following steps:
1) mixing a solution containing 1-40 mg/ml of a polypeptide consisting of a mammalian Rho kinase with a solution containing 0.01-10 mM of a substance that interacts with Rho kinase;
2) A step of obtaining crystals by vapor diffusion equilibrium method using a solution containing ammonium sulfate, sodium citrate, polyethylene glycol and ammonium sulfate from the above mixture solution;
3) The crystals obtained in 2) above are further treated with a solution in which the concentration of sodium citrate is changed from at least 0.075 M to 1 M and the concentration of sodium citrate is changed. The process of obtaining. Use of three-dimensional coordinates obtained by high-resolution X-ray crystal diffraction of the crystal according to any one of claims 6 to 10 to interact with Rho kinase. Method of screening substances. 13. The screening method according to claim 12, wherein the use of three-dimensional coordinates searches for a drug from a virtual compound library based on computer processing information obtained by computer processing the three-dimensional coordinates, and performs virtual screening. Computer graphics analysis using the three-dimensional coordinates obtained by high-resolution X-ray crystal diffraction of the crystal according to any one of claims 6 to 10, and analysis of the drug from the obtained analysis results. A method for drug design of a substance having an interaction with Rho kinase, which comprises performing structural design.