Crystal of a kinase-ligand complex and methods of use

BACKGROUND OF THE INVENTION

[0002] The invention relates to the three-dimensional structure of a crystal of a kinase enzyme complexed with a ligand. The three-dimensional structure of a protein kinase-ligand complex is disclosed. The invention also relates to methods of preparing such crystals. Kinase-ligand crystal structures wherein the ligand is an inhibitor molecule are useful for providing structural information that may be integrated into drug screening and drug design processes. Thus, the invention also relates to methods of using the crystal structure of kinase enzyme-ligand complexes for identifying, designing, selecting, or testing inhibitors of kinase enzymes, such inhibitors being useful as therapeutics for the treatment or modulation of i) diseases; ii) disease symptoms; or iii) the effect of other physiological events mediated by kinases; having one or more kinase enzymes involved in their pathology.

[0003] T-cell activation is a complex process that results from the integrated activation of multiple signal transduction pathways [1-3]. One of the earliest T-cell signaling events observed upon T-cell receptor (TCR)-ligand engagement is the CD4/CD8-dependent activation of lymphocyte kinase (Lck), a member of the non-receptor Src family of tyrosine kinases [4-8]. Lck phosphorylates and activates a number of substrates necessary for TCR signaling [9]. Perhaps the best understood activity of Lck is the phosphorylation of immunoreceptor tyrosine-based activation motifs (ITAMs) in the TCR ζ-subunit [4, 6, 9]. The extent of ζ-chain ITAM phosphorylation dictates the threshold for ligand-mediated TCR signaling and T-cell activation [10, 11]. Phosphorylated ITAMs serve as high affinity docking sites for the recruitment of additional signaling factors, particularly the Syk family tyrosine kinase ZAP-70 [12, 13]. Dual phosphorylation of tyrosines in the ITAMs by Lck is required for the binding of tandem ZAP-70 Src homology-2 (SH2) domains [14-16]. Co-localization of ZAP-70 and Lck to the TCR-ζ subunit-CD4/8 complex facilitates the Lck-mediated activation of ZAP-70 and subsequent ZAP-70 autophosphorylation [17-21]. Activated Lck and ZAP-70 perpetuate the TCR signaling cascade by providing additional docking sites for other SH2 containing kinases (including Fyn, Syk and Itk), adaptor proteins (including SLP-76, SHC, LAT, FyB and Grap), and transducing elements (including PLCγ, PI3-kinase and Rac/Rho) [2, 3, 22]. Biochemical information is then transmitted down multiple signaling pathways, including the Ras/mitogen-activated protein kinase pathway, the phosphatidylinositol pathway, and the Rho/Rac pathway [2]. Among other effects, TCR signaling up-regulates transcription and translation of IL-2 and IL-2 receptors which are prerequisites for T-cell proliferation.

[0004] Genetic studies have demonstrated that Lck expression is restricted to lymphocytes. Loss of Lck expression in human Jurkat T-cells results in a loss of signaling in response to TCR ligation [23, 24]. In addition, inactivation of the Lck gene, or expression of dominant negative transgenes in mice, results in early arrest of thymocyte maturation [25-27]. These and other biochemical studies have implicated Lck as an essential early mediator of the TCR signaling pathway. Lck therefore represents an attractive target for therapeutic intervention in T-cell mediated disorders such as autoimmune diseases and transplant rejection.

[0005] Lck is a modular protein consisting of a C-terminal catalytic domain, a single Src homology-2 (SH2) and a Src homology-3 (SH3) domain, and a unique N-terminal region. The N-terminal region is involved in anchoring Lck to CD4/8 through Zn2+ coordination with conserved cysteine residues present in both proteins [28, 29]. The activity of Lck is regulated by autophosphorylation of Tyr-394 located in the catalytic domain activation loop [30] and by the phosphorylation of Tyr-505 by C-terminal Src kinase (Csk) [31-33]. Further understanding of the regulation of Lck has been provided by the crystal structures of two other Src family protein kinases, c-Src and Hck [34-36]. From these structures it can be delineated that the SH2 and SH3 domains function in part to negatively regulate Lck activity by forming intramolecular contacts that stabilize the catalytic domain in an inactive conformation [37]. The SH2 domain binds to phosphorylated Tyr-505 and the SH3 domain associates with a proline containing motif in a hinge region connecting the SH2 and catalytic domains [34-36]. Release of these intramolecular regulatory constraints by dephosphorylation of Tyr-505 [38] and/or the presence of competing SH3/SH2 ligands [39] results in the autophosphorylation of Tyr-394 in the activation loop and a catalytically active kinase [19]. A structural basis for Lck activation has been previously elucidated from the crystal structure of an autophosphorylated Lck catalytic domain [40].

[0006] Protein kinases have been implicated as potential targets for a variety of clinical applications. The identification of molecules, such as inhibitors, that bind to kinase enzymes, affect kinase activity and thereby influence pathological processes, is valuable for investigating potential therapeutics for disease, or disease symptoms, that are mediated by kinase enzymes. Such identification has been attempted using methods such as the screening of large numbers of random libraries of natural and/or synthetic compounds, hoping that some number of random compounds will demonstrate the desired biological activity. This method is inefficient in that it typically results in a small number of “hits” and it is constrained by the limitations imposed in actually screening large numbers of compounds in laboratory assays. An improved method of such identification is structure-based drug design (“SBDD”). SBDD comprises a number of integrated components, including, structural information (e.g., spectroscopic data such as X-ray or magnetic reasonance information, relating to enzyme structure and/or conformation, enzyme-ligand interactions, etc.), computer modeling, medicinal chemistry, and biological testing (both in vitro and in vivo). These components, each alone and in combination, are useful for accelerating the drug discovery process, for gaining insight into disease and disease processes, and for providing a more efficient method for identifying drug candidates.

[0007] Efforts to understand the molecular constraints necessary to achieve inhibitor potency and selectivity have been aided by an increasing number of crystal structures of different protein kinases complexed with ATP-competitive inhibitors. One such inhibitor is staurosporine, an alkaloid that has been previously shown to inhibit a broad range of tyrosine and serine/threonine kinases with nanomolar potency [41]. Crystal structures of staurosporine bound to the serine/threonine kinases protein kinase A (PKA) and the cyclin-dependent kinase 2 (CDK2) elucidated the binding mode of this inhibitor to protein kinases [42, 43](reviewed in [44]). A similar binding mode has been reported in a recently solved structure of the tyrosine kinase Csk in complex with staurosporine [45]. Described herein are crystal structures of Lck complexed with staurosporine obtained from both soaking and co-crystallization experiments. Comparison of these two complexes and those previously reported further elucidates the structural basis for the high potency and poor selectivity of this inhibitor.

[0008] To date, the three-dimensional structures of Hck/AMP-PNP and Hck/Quercetin complexes have been reported, however, these ligands are not src-selective ligands. The three-dimensional structure of c-Src (apo form) has been elucidated, however, this structure lacks a ligand bound to the enzyme and therefor lacks critical information regarding the interaction of a ligand with the active site of the enzyme.

[0009] The role of Src family members Lck and Fyn in TCR activation has been studied with two related Src kinase inhibitors, PP1 and PP2 [51]. PP1 and PP2 are reported to selectively inhibit Lck and c-Src in vitro at concentrations much lower than is required to inhibit Zap-70, JAK2, EGF-R kinase and protein kinase A [51]. These compounds also inhibit anti-CD3-induced protein tyrosine phosphorylation and subsequent IL-2 gene activation in T lymphocytes [51]. Thus, it appears that PP1 and PP2 dissect a component of TCR signaling not distinguished by other immunosuppressive drugs such as cyclosporin and FK-506. The structural basis for the potency and selectivity of these compounds with the crystal structure of PP2 bound to Lck is described herein. This structure is a useful tool in the design of specific Lck inhibitors and aids in the tailoring of inhibitors, such as PP1 and PP2, to enhance their physical properties, including their therapeutic and pharmaco-kinetic properties.

[0010] There is a need for three-dimensional structures of kinase-ligand complexes in order to garner a better understanding of the important interactions between a kinase and its bound ligand, and to utilize this information for methods to identify, design and test molecules with improved binding affinity and molecules that would be useful as therapeutics and/or modulators of kinase-mediated physiological events.

SUMMARY OF THE INVENTION

[0011] The present invention provides crystals of kinase-ligand complexes suitable for X-ray diffraction analysis. The invention also relates to methods for preparing the crystals of kinase-ligand complexes, particularly where the ligand is an inhibitor of the kinase enzyme. The invention also relates to the detailed three-dimensional structural information of the protein-ligand complexes constituting these crystals, and use of the structure coordinates to reveal atomic details of the active site(s) and other physicochemical interactions that enhance interaction and/or association between the kinase and the ligand. It is also an object of this invention to use the kinase-ligand complex crystals, the three-dimensional structural information provided by the kinase-ligand complex crystals, and the structure coordinates of the kinase-ligand complex in methods to identify, design, select, and evaluate potential inhibitors of kinases that would be useful as therapeutics for diseases or symptoms of diseases that are associated with kinase-mediated physiological events. Such methods may also include use of computer modeling of potential inhibitors based on the the kinase-ligand complex crystals, the three-dimensional structural information of the kinase-ligand complex crystals, and the structure coordinates of the kinase-ligand complex crystals.

BRIEF DESCRIPTION OF THE DRAWINGS

[0012]
FIG. 1. Electron density maps of ligands bound to Lck. 2Fo-Fc electron density maps contoured at 1σ. The linker region between the N and C terminal lobe of the Lck kinase domain is shown on the left side of the bound ligands. Hydrogen bonds formed between ligands and the kinase linker region are represented by the purple dashed lines. A. AMP-PNP; B. staurosporine; C. PP2.

[0013]
FIG. 2. Schematic representation of the hydrogen bonding interactions and van der Waals contacts between Lck and the ligands. Hydrogen bonds are represented with dashed lines. The residues of Lck in contact with the bound ligand are shown. A. & C. AMP-PNP; B & D. staurosporine; E & F. PP2.

[0014]
FIG. 3. Interactions of staurosporine and PP2 with Lck at the ATP binding cleft. The residues of Lck in contact with the bound ligands are shown in A, B and C. Surface curvature of Lck when bound to ligands is shown in D, E and F. The most convex parts of the molecular surface are coded green while the most concave and planar are coded gray and white, respectively. A & E. staurosporine; C & F. PP2. B & D. AMP-PNP.

[0015]
FIG. 4. A. Superposition of the structures of apo Lck (orange), the Lck:staurosporine complex derived from the soaking experiment (green), and the Lck:staurosporine complex from co-crystallization (purple). The superposition is based on the kinase domain of Lck. The ligand from the soaking experiment is shown in cyan while staurosporine from the co-crystallization experiment is shown in purple. B. Superposition of Lck (green), CDK2 (cyan) and PKA (yellow) in complex with staurosporine (purple). The structure alignment is based on the bound ligands. The Lck:staurosporine co-crystallized complex contains a loop conformation intermediate between the more open and closed positions observed in the CDK2 and PKA complexes.

[0016]
FIG. 5. Structure based sequence alignment of Lck, ZAP-70, the EGF receptor, and PKA. The conserved residues are highlighted in yellow. The amino acids in the hydrophobic pocket where PP2 binds are highlighted in black. Tyrosine 394 on the activation loop is highlighted in purple. The kinase lobe linker region and the catalytic region are labeled.

[0017]
FIG. 6. Comparison of the ligand positions in the Lck complexes based on the superposition of the COs of Lck. A. AMP-PNP (purple) and staurosporine. B. AMP-PNP (purple) and PP2.

[0018]
FIG. 7. A. Enzymatic assay. IC50 titration curves for an Lck catalytic domain (squares) or the nearly full-length enzyme with SH2 and SH3 regulatory domains (circles). The Lck proteins were titrated with staurosporine (open symbols) and PP2 (filled symbols). B. Cellular assay. PP2 (filled diamonds) and staurosporine (filled triangles) inhibit TCR-induced IL-2 secretion from hPBL T-cells. C. Endogenous protein phosphorylation assay. PP2 and staurosporine inhibit TCR-induced increases in phosphotyrosine incorporation into the TCR p23ζ-chain and a 70 kDa protein.

DETAILED DESCRIPTION OF THE INVENTION

[0019] In order that the invention described herein be more fully understood, the following detailed description is set forth. The interactions of a ligand (e.g., inhibitors AMP-PNP, staurosporine, and PP2) with a kinase are delineated below. For an overview of kinases, see, The Protein Kinase Facts Book I & II, G. Hardie and S. Hanks, eds., Academic Press, (1995).

[0020] AMP-PNP Binding to the Lck Catalytic Domain

[0021] To provide a structural basis for understanding the interactions of ATP-competitive inhibitors with Lck, the Lck catalytic domain was co-crystallized with the non-hydrolyzable ATP analog AMP-PNP. Consistent with structures of other protein kinases in complex with ATP analogs [46-48], AMP-PNP binds in the cleft between the N- and C-terminal lobes of Lck, with a pair of conserved hydrogen bonds formed between the adenine base and the backbone of the kinase linker region (FIG. 1A & 2A). The gamma phosphate of AMP-PNP is disordered in the binary complex, perhaps due to the absence of a substrate peptide or divalent cations. In ternary complexes of PKA with ATP and a substrate peptide inhibitor [46, 47], and IRK with AMP-PNP and a substrate peptide [48], the bound peptides appear to help anchor the gamma phosphate of ATP to the enzyme. Only small conformational changes are observed in the Lck:AMP-PNP complex relative to the previously reported apo Lck structure [40]. However, Ser323 undergoes a conformational change in the ribose binding pocket of Lck that appears to be important for AMP-PNP binding. In the apo structure, Ser323 adopts two partially occupied conformations. One conformation results in a hydrogen bond between Ser323 and Asp326. The other conformation results in Ser323 hydrogen bonding to the backbone carbonyl of Asp368. In both conformations, the Ser323 Oy points away from the ATP binding cleft and faces the C-terminal lobe. In the Lck:AMP-PNP structure, the side chain of Ser323 is rotated more than 100 degrees about χ1 and forms a hydrogen bond with the ribose oxygen of AMP-PNP (Oγ:O2′ distance 2.7∘). Ser323 of Lck is conserved among all known Src-family tyrosine kinases with the exception of Blk, which contains a cysteine at this position.

[0022] Staurosporine Binding to Lck

[0023] Structures of staurosporine bound to Lck were determined both from apo Lck crystals soaked with inhibitor and from co-crystals derived from a preformed Lck:staurosporine complex. Co-crystallization of this Lck:staurosporine complex produced a new crystal form which contains different crystal packing interactions than observed in the apo crystal form. In both Lck:staurosporine complexes the inhibitor occupies the ATP binding site and forms three hydrogen bonds with the enzyme. The NH and keto oxygen of the lactam ring of staurosporine make a pair of hydrogen bonds with the carbonyl oxygen of Glu317 and the backbone NH of Met319, similar to those formed by the adenine ring of ATP (FIG. 1B and 2B). The third hydrogen bond, which occurs in the ribose binding pocket of Lck, appears to be different in the two complexes. In the Lck:staurosporine complex derived from soaking, the methylamino substituent of the glycosidic ring participates in a hydrogen bond with Ser323 (N:Oγ distance 2.9 Å). This interaction is similar to the hydrogen bond observed between Ser323 and the ribose 2′-hydroxyl in the Lck:AMP-PNP complex. In contrast, the methylamino nitrogen of staurosporine in the co-crystallized complex forms a hydrogen bond with the carbonyl oxygen of Ala368 from the catalytic loop of Lck (N:O distance 3.2 Å). While the Ser323 Oγ is within hydrogen bonding distance to the methylamino nitrogen of staurosporine in this complex as well (2.7 Å), the geometry is not optimal for a hydrogen bond.

[0024] Staurosporine also makes extensive van der Waals contacts with Lck. Seven residues from the N-terminal lobe (Leu251, Gly252, Val259, Ala271, Lys273, Thr316, and Tyr318) and six residues from the C-terminal lobe (Met319, Gly322, Ser323, Ala368, Leu371, and Asp382) of Lck contribute a total of 78 van der Waals contacts to the bound inhibitor. The majority of these contacts are to the fused carbazole moiety of staurosporine, which spans a plane of approximately 15×11 Å2. In contrast, the glycosidic group of staurosporine spans only 6 Å in a direction perpendicular to the plane of carbazole ring system. Approximately half of the van der Waals interactions result from a large movement of the glycine rich loop of Lck, induced by staurosporine binding. This movement is most prominent for the β1 strand of the glycine rich loop and is best described as a rotation of this loop about the β2 strand coupled with a small translation towards the C-terminal domain (FIG. 4A). The backbone of β1 moves towards the bound ligand by approximately 1.7 Å in the soaked Lck:staurosporine complex. In the co-crystallized Lck:staurosporine complex, movement of β1 is even more pronounced, bringing this strand 2.4 Å nearer to the C-terminal lobe. In contrast to the apo crystals used for soaking experiments, co-crystals of the Lck:staurosporine complex do not contain lattice contacts in the glycine rich loop. This likely explains the relative difference in position of this loop in our Lck:staurosporine structures. These two structures may well represent snapshots of the association between Lck and staurosporine in solution.

[0025] Superimposition of our Lck:staurosporine complexes using the C-terminal domain results in an rms deviation of 0.28 Å between 172 common Cα atoms. Comparison of the superimposed structures shows that the largest positional differences occur in the highly flexible glycine rich loop of the enzyme (FIG. 4A). Interestingly, while the bound staurosporine molecules superimpose well in the two structures, the plane of the carbazole moiety is rotated slightly towards the N-terminal lobe of Lck in the complex derived from soaking. The net result of this rotation is a 0.8 Å shift of the glycon moiety of staurosporine towards the glycine rich loop of the N-terminal lobe. Examination of the two enzyme:inhibitor structures provides a ready explanation for this shift. The closest contact between staurosporine and the glycine rich loop in the two structures is a CH—O interaction between the glycosidic oxygen of staurosporine and the Cα of Gly252. This CH—O distance is 3.5 Å in the co-crystallized complex and 3.6 Å in the complex from soaking. Because the glycine rich loop has not rotated as far towards the C-terminal domain in the soaked Lck:staurosporine complex, the bound ligand must rotate slightly in order to maintain this interaction. As a result of this rotation, the glycon methylamino group of staurosporine is shifted away from the carbonyl oxygen of Ala368 in this complex, resulting in a NH:O distance of 4.1 Å as compared to 3.2 Å in the co-crystallized complex.

[0026] Crystal structures of the protein kinases CDK2, PKA and CSK in complex with staurosporine have also been reported [42, 43, 45]. The same hydrogen bonding pattern observed between the lactam of staurosporine and the linker region of Lck is observed in each of these crystal structures. Inspection of the PKA:staurosporine and CDK2:staurosporine complexes (CSK coordinates not available) reveals that the CH—O interaction described above for our two Lck:staurosporine structures is present as the closest contact between staurosporine and the glycine rich loop in these structures as well. Not only are the CH—O distances constant in the four complexes (3.5 Å), but the geometry of the interaction is similar as well. This type of CH—O interaction is well documented in small molecule crystal structures [49] and has also been observed in other biomolecular complexes [50]. Interestingly, both PKA and CDK2 undergo conformational changes in the glycine rich loop upon staurosporine binding, and while this loop contains additional conformational differences in the CDK2 complex (FIG. 4B), the glycine Cα:glycosidic oxygen interaction is maintained. This emphasizes the importance of this interaction in complexes between staurosporine and Ser/Thr and tyrosine kinases. It appears that this interaction is critical for the potency of staurosporine binding to the ATP binding site of these kinases.

[0027] In both the Lck and CSK complexes a single hydrogen bond is formed between staurosporine and the ribose binding pocket [45]. In comparison, staurosporine has been observed to form two hydrogen bonds with this pocket in CDK2 and PKA [42, 43]. In these two complexes rotation about the C—N bond of the methylamino substituent allows the amine nitrogen to hydrogen bond to both a carbonyl oxygen from the catalytic loop and a side chain from the ribose binding pocket. Of the two methylamino hydrogen bonding interactions observed in our Lck:staurosporine complexes, the contact with the carbonyl oxygen of Ala368 more closely resembles the interactions observed in the PKA and CDK2 complexes. The distance between this carbonyl oxygen and the Cα of Gly252 is 10.3 Å and 9.6 Å respectively for the soaked and co-crystallized Lck:staurosporine complexes. The equivalent distances in the PKA and CDK2 structures are 9.0 Å and 8.8 Å, respectively. This indicates that the Lck:staurosporine co-crystal structure is likely a more physiologically relevant structure, with a slightly more open conformation than those of PKA and CDK2 in complex with staurosporine.

[0028] PP2 binding to Lck

[0029] PP2 has been reported to be a potent Src family selective tyrosine kinase inhibitor [51]. This compound inhibits Lck with an IC50 of 4 nM and Fyn with an IC50 of 5 nM. PP2 is slightly less potent against EGF-R (IC50=0.45 μM) and inactive against ZAP-70 (IC50=100 μM) [51]. PP1, an analog of PP2, shows approximately the same inhibitory activity against Lck [51]. To determine the structural basis for this selectivity, PP2 was co-crystallized with the kinase domain of Lck. This structure reveals that PP2 binds in the ATP binding site and induces little global conformational change in the enzyme. Superimposition of the Lck:PP2 and Lck:AMP-PNP structures yields an overall rms difference of 0.27 ∘ for the 278 Cα atoms. The pyrazolo-pyrimidine ring of PP2 occupies a similar position in the Lck ATP binding cleft as the adenine ring of AMP-PNP (FIG. 1C & 2C). This binding mode places the 3-(4-chlorophenyl) substituent of PP2 in a hydrophobic pocket adjacent to the ATP binding cleft (FIG. 3B & 3D). PP2 forms three hydrogen bonds with Lck, two of which are similar to those found in the Lck:AMP-PNP and Lck:staurosporine structures (FIG. 1C & 2C). These are between the 4-amino group of PP2 and the backbone carbonyl of Glu317, and between the N5 of PP2 and the backbone NH of Met319. The third hydrogen bond, formed between the 4-amino group of PP2 and the side chain hydroxyl of Thr316, is unique in the structures reported here. The two conserved hydrogen bonds in the PP2:Lck complex are relatively long, with distances between donor and acceptor atoms of approximately 3.2 ∘. PP2 also makes thirty-eight van der Waals interactions with Lck. Nineteen of these contacts come from the 3-(4-chlorophenyl) substituent, which is deeply buried inside the hydrophobic pocket. The tert-butyl substituent of the pyrazolo-pyrimidine contributes four van der Waals contacts to the complex. This substituent is located at the entrance of the ATP binding pocket and contacts residues from both the N- and C-terminal lobes of Lck.

[0030] The hydrophobic pocket occupied by the 3-(4-chlorophenyl) substituent of PP2 is defined by residues Thr316, Ile314, Met292, Glu288 and Lys273. The exact composition of this pocket appears to be unique to the Src family (FIG. 5). For instance, Thr316, which is located at the entrance of the hydrophobic pocket, is not conserved in other tyrosine kinase families. ZAP-70 contains a methionine at this position which is likely to block access of this pocket to PP2-like inhibitors. This is consistent with the 100 μM IC50 previously reported for PP2 against ZAP-70 [51 ]. Like Lck, the EGF receptor kinase has a threonine at the entrance of the hydrophobic pocket and is inhibited moderately by PP2 (IC50=0.45 μM) [51]. The hydrophobic pocket in EGFR differs from the Src kinases by having a leucine at the position equivalent to Ile314 in Lck. In the Lck:PP2 complex, Ile314 contacts the 4-chloro substituent of the 3-phenyl ring. The presence of a leucine at this position in EGFR could partially account for the weaker inhibition of this receptor tyrosine kinase by PP2.

[0031] The structure of the Lck:PP2 complex helps explain the structure activity relationships (SAR) of a series of 4-Amino-1,3-diphenyl-pyrrolo[3,4d]pyrimidines that show a high degree of specificity towards c-Src [52]. The molecular structures of these compounds are analogous to PP2, but have a phenyl ring at the N1 position of the pyrrole instead of a tert-butyl group (FIG. 6C). A wide variety of polar moieties are well tolerated on this phenyl ring. The amino acid identity of the active sites of Lck and Src (defined as a 10 Å radius around ATP) is 89%. The amino acid composition of the ribose binding pocket within the Src family is completely conserved, while the hydrophobic pocket is less conserved. Superimposition of several of these compounds on our Lck:PP2 complex indicates that the polar groups on the N1-phenyl ring can interact favorably with hydrophilic residues in the ribose binding pocket (Ser343, Asp345), while the 3-phenyl group occupies the same region of the hydrophobic pocket as the 3-(4-chlorophenyl) group of PP2.

[0032] Comparison of Ligand Binding to Lck

[0033] Superimposition of the Lck:AMP-PNP, Lck:staurosporine and Lck:PP2 structures highlights similar features of inhibitor binding to the enzyme. The aromatic ring systems of the bound inhibitors occupy similar positions in the adenine binding pocket, as do their hydrogen bond donors and acceptors (FIG. 6A & 6B). This results in a hydrogen bonding pattern to the backbone carbonyl of Glu317 and the amide of Met319 that is conserved in all three structures (FIG. 1 & 2).

[0034] Staurosporine makes significantly more interactions with the glycine rich loop of Lck than does either AMP-PNP or PP2. The majority of these interactions are with residues that are highly conserved among protein kinases. These include Leu251, Gly252, Val259, Ala271, Lys273, Gly322 and Leu371, residues which are either absolutely or highly conserved among known tyrosine kinase sequences. PP2 by contrast, makes a number of interactions with residues that are specific to the Src family kinases by accessing a hydrophobic pocket neighboring the adenine binding region of Lck. This hydrophobic pocket exists in other kinases as well and has been exploited in the discovery of specific inhibitors. For example, the structures of FGF receptor and p38 MAP kinases bound with specific inhibitors show that the inhibitors gain both potency and specificity by placing substituents in this hydrophobic pocket of the enzyme [53-56]. However, the exact position and topology of the hydrophobic pockets of Lck, FGF-R, p38 and other kinases are likely to be defined not only by sequence but by additional factors, such as activation state or relative positioning of the kinase N- and C-terminal domains. This diversity around the ATP-binding site provides opportunities for the discovery or design of potent, selective, small molecule inhibitors for specific protein kinases.

[0035] Inhibition of Lck Activity and T-cell Receptor Signaling

[0036] In the crystallographic studies presented here, the catalytic domain of Lck was used as a substitute for the full length protein. Previous studies have demonstrated that the Lck catalytic domain can be expressed and isolated as a constitutively active enzyme [40]. Nevertheless, a detailed comparison of the catalytic activities of Lck in the full length and truncated forms has not been reported. To provide a basis for the physiological relevance of our crystallographic studies, the IC50 values of staurosporine and PP2 were measured against these two forms of Lck. The full-length and catalytic domains of Lck displayed comparable specific activities (10 and 15 nmoles/min/nM enzyme) when assayed using a poly-GluTyr substrate. Furthermore, staurosporine (IC50 full length=34 nM, kinase domain=40 nM) and PP2 (IC50 full length=19 nM, kinase domain=20 nM) each inhibited both the full length and truncated forms of Lck to a similar extent in an autophosphorylation assay (FIG. 7A).

[0037] The effect of staurosporine and PP2 on Lck-mediated phosphorylation of TCR ζ-chain and IL-2 production in human T-cells was also investigated. Both inhibitors showed a dose-dependent inhibition of Lck-dependent phosphorylation of the TCR ζ-chain (p23), and also inhibited the phosphorylation of a 70 kD protein which is likely to be ZAP-70 (FIG. 7C). FIG. 7, panel B shows that staurosporine (IC50=60 nM) and PP2 (IC50=600 nM) also exhibited dose-dependent inhibition of IL-2 production in human T-cell cultures. The results of these in vitro and cellular studies suggests that the catalytic domain of Lck is a valid substitute for the full-length Lck as a molecular target for the development of new immunosuppressive therapeutic agents.

[0038] Biological Significance

[0039] The molecular targets of currently used immunosuppressive drugs such as FK-506 and cyclosporine are broadly expressed in many different tissues and cell types. The non-immunossuppressant toxicity profiles of such drugs can be traced to the inhibition of their targets in non-lymphoic tissues. Targeting Lck for the development of novel immunosuppressive drugs has promise as this enzyme is selectively expressed in T-cells and NK cells. Thus, agents that selectively inhibit Lck could lead to T-cell specific immunosuppression with improved therapeutic windows and broader clinical potential.

[0040] In the past few years much progress has been made in the design of selective kinase inhibitors. It has been established that highly specific ATP-competitive inhibitors can be obtained against a number of different kinases with clinical utility in oncology. In the present study, a comparison of several ligated Lck structures has provided valuable insight into the mode of binding of non-selective and Src family selective inhibitors. The structure of Lck in complex with AMP-PNP likely represents a conformation of Lck when ATP is bound prior to the binding of substrates and phospho-transfer. Analysis of the Lck:staurosporine complex reveals that binding of this inhibitor to Lck and other kinases induces a conformational change in the glycine rich loop, which helps maximize van der Waals interactions. This conformational change is mediated by a CH—O interaction that appears to be a common binding component for staurosporine with protein kinases. The non-selectivity of staurosporine may be explained by interactions with residues that are highly conserved in the ATP binding cleft. In contrast, the Src-selective inhibitor PP2 binds to Lck by accessing a hydrophobic pocket whose composition is unique to the Src family. The structures of these Lck complexes offer useful structural insights as they demonstrate binding modes that make differential use of various regions of the ATP binding cleft. Furthermore, these complexes indicate that kinase selectivity can be achieved with small molecule inhibitors that exploit subtle topological differences or sequence substitutions among protein kinases.

[0041] As used herein, the terms “sequence homology”, or “homology”, or “homologues”, refers to the degree of identity or correspondence between nucleic acid or amino acid sequences of proteins. In a specific embodiment, two DNA sequences are “substantially homologous” or “substantially similar” when at least about 50% (preferably at least about 75% and most preferably at least about 90 or 95%) of the nucleotides match over the defined length of the DNA sequences. Sequences that are substantially homologous can be identified by comparing the sequences using standard software available in sequence data banks, or in a Southern hybridization experiment under, for example, stringent conditions as defined for that particular system. Defining appropriate hybridization conditions is within the skill of the art. See, e.g., [Maniatis et al., Molecular Cloning: A Laboratory Manual, Second Edition, (1989); DNA Cloning, Vols. I & II, (D. Glover, ed. 1985); Nucleic Acid Hybridization, B. D. Hames & S. J. Higgins, eds., (1985); Current Protocols in Molecular Biology, John Wiley & Sons, Inc. (1994); and references cited therein].

[0042] Similarly, in a particular embodiment, two amino acid sequences are “substantially homologous” or “substantially similar” when greater than about 30%, alternatively greater than about 70%, or alternatively greater than about 90% of the amino acids are identical, or when greater than about 60%, alternatively greater than about 75%, or alternatively greater than 90% are similar (functionally identical). Preferably, the similar or homologous sequences are identified by alignment using, for example, the GCG (Genetics Computer Group, Program Manual for the GCG Package, Version 7, Madison, Wis.) pileup program.

[0043] The term “active site” refers to any or all of the following: (i) the portion of the kinase sequence that binds to substrate, (ii) the portion of the kinase sequence that binds to an inhibitor, (iii) the portion of the kinase sequence that binds to ATP. The active site may also be characterized as comprising at least amino acid residues 259, 271, 371, 319, 251, 323, 314, 292, 316, 288, 273, 319, 320 and 317 of SEQ ID NO: 1, and alternatively at least amino acid residues 259, 271, 371, 319, 251, 323, 314, 292, 316, 288, 273, 319, and 317 of SEQ ID NO: 1.

[0044] Due to the degeneracy of nucleotide coding sequences, other DNA sequences which encode substantially the same amino acid sequence as a kinase gene may be used in the practice of the present invention. These include but are not limited to allelic genes, homologous genes from other species, and nucleotide sequences comprising all or portions of kinase genes which are altered by the substitution of different codons that encode the same amino acid residue within the sequence, thus producing a silent change. Likewise, the kinase derivatives of the invention include, but are not limited to, those containing, as a primary amino acid sequence, all or part of the amino acid sequence of a kinase protein including altered sequences in which functionally equivalent amino acid residues are substituted for residues within the sequence resulting in a conservative amino acid substitution. For example, one or more amino acid residues within the sequence can be substituted by another amino acid of a similar polarity, which acts as a functional equivalent, resulting in a silent alteration. Substitutes for an amino acid within the sequence may be selected from other members of the class to which the amino acid belongs. For example, the nonpolar (hydrophobic) amino acids include alanine, leucine, isoleucine, valine, proline, phenylalanine, tryptophan and methionine. Amino acids containing aromatic ring structures are phenylalanine, tryptophan, and tyrosine. The polar neutral amino acids include glycine, serine, threonine, cysteine, tyrosine, asparagine, and glutamine. The positively charged (basic) amino acids include arginine, lysine, and histidine. The negatively charged (acidic) amino acids include aspartic acid and glutamic acid. Such alterations will not be expected to affect apparent molecular weight as determined by polyacrylamide gel electrophoresis, or isoelectric point. Abbreviations of amino acids are known in the art and are defined below:

1A = Ala = alanineT = Thr = threonineV = Val = valineC = Cys = cysteineL = Leu = leucineY = Tyr = tyrosineI = Ile = isoleucineN = Asn = asparagineP = Pro = prolineQ = Gln = glutamineF = Phe = phenylalanineD = Asp = aspartic acidW = Trp = tryptophanE = Glu = glutamic acidM = Met = methionineK = Lys = lysineG = Gly = glycineR = Arg = arginineS = Ser = serineH = His = histidine

[0045] The term “structure coordinates” refers to three-dimensional atomic coordinates derived from mathematical equations related to the experimentally measured intensities obtained upon diffraction of a mono- or polychromatic beam of X-rays by the atoms (scattering centers) of a kinase or kinase-ligand complex in crystal form. The diffraction data may be used to calculate an electron density map of the repeating unit of the crystal. The electron density maps can be used to establish the positions of the individual atoms within the unit cell of the crystal. Alternatively, computer programs such as XPLOR can be used to establish and refine the positions of individual atoms. Those of skill in the art understand that a set of structure coordinates determined by X-ray crystallography is not without error. For the purposes of this invention, any set of structure coordinates for a kinase, particularly a src-family kinase, and more particularly Lck, or Lck homologues, that have a root mean square deviation of equivalent protein backbone atoms (N, Cα, C and O) of less than about 1.50 Å, or alternatively less than about 1.00 Å when superimposed, using backbone atoms, on the structure coordinates listed herein shall be considered identical and within the scope of the invention.

[0046] The term “unit cell” refers to a basic parallelipiped shaped block. The entire volume of a crystal may be constructed by regular assembly of such blocks. Each unit cell comprises a complete representation of the unit of pattern, the repetition of which builds up the crystal.

[0047] The term “space group” refers to the arrangement of symmetry elements of a crystal.

[0048] The term “complex” refers to a kinase (or kinase truncation or homologue) in covalent or non-covalent association with a ligand, such ligand including, for example, a chemical entity, compound, or inhibitor, candidate drug, and the like. The term “association” refers to a condition of proximity between the ligand and the kinase, or their respective portions thereof, in any appropriate physicochemical interaction.

[0049] The term “kinase”, unless expressly stated to the contrary, refers to full length as well as truncated protein sequences, or subsequences, and homologues.

[0050] The term “globular core” refers to the general spatial shape of the of the core of the kinase enzyme.

[0051] The invention relates to a crystal of a protein-ligand complex comprising a protein-ligand complex of a kinase and a ligand, wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater (meaning better as used in this context throughout) than 5.0 Angstroms, alternatively greater than 3.0 Angstroms, or alternatively greater than 2.0 Angstroms; and wherein the kinase comprises amino acids 225 to 508 of SEQ ID NO: 1 or an amino acid sequence that differs from amino acids 225 to 508 of SEQ ID NO: 1 by only conservative substitutions; alternatively, wherein said kinase comprises the active site as defined herein. The invention also relates to a crystal of a protein-ligand complex comprising a protein-ligand complex of a kinase and a ligand, wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms, alternatively greater than 3.0 Angstroms, or alternatively greater than 2.0 Angstroms; and wherein the kinase: (a) comprises amino acids 225 to 508 of SEQ ID NO: 1 or an amino acid sequence that differs from amino acids 225 to 508 of SEQ ID NO: 1 by only conservative substitutions (or alternatively, wherein said kinase comprises the active site as defined herein); and (b) retains the globular core of the corresponding full-length kinase. Other embodiments include the crystals above wherein the kinase is alternatively a src-family kinase, or alternatively Lck, or alternatively a truncated Lck sequence; those crystals above wherein the ligand is AMP-PNP, staurosporine or PP2, or alternatively AMP-PNP, or alternatively staurosporine, or alternatively PP2; and those wherein the ligand is Lck and the ligand is AMP-PNP, staurosporine or PP2, or alternatively AMP-PNP, or alternatively staurosporine, or alternatively PP2.

[0052] An alternate embodiment is the crystal of described above, wherein the kinase, or alternatively src-family kinase, or alternatively Lck, or alternatively truncated Lck, comprises an amino acid sequence of amino acids 251 to 371 of SEQ ID NO: 1, or an amino acid sequence that differs from amino acids 251 to 371 of SEQ ID NO: 1 by only conservative substitutions, or alternatively, wherein said kinase comprises the active site as defined herein. Other embodiments include such crystals wherein the kinase is alternatively a src-family kinase, or alternatively Lck, or alternatively a truncated Lck sequence; those crystals above wherein the ligand is AMP-PNP, staurosporine or PP2, or alternatively AMP-PNP, or alternatively staurosporine, or alternatively PP2; and those wherein the ligand is Lck and the ligand is AMP-PNP, staurosporine or PP2, or alternatively AMP-PNP, or alternatively staurosporine, or alternatively PP2.

[0053] An alternate embodiment is the crystal described above wherein the kinase-ligand complex comprises AMP-PNP and having space group of P212121 and a unit cell of dimensions of a=42.1 Å, b=73.7 Å, and c=91.7 Å.

[0054] An alternate embodiment is the crystal described above wherein the kinase-ligand complex comprises staurosporine and having space group of P212121 and a unit cell of dimensions of a=42.2 Å, b=73.8 Å, and c=91.4 Å.

[0055] An alternate embodiment is the crystal described above wherein the kinase-ligand complex comprises staurosporine and having space group of P212121 and a unit cell of dimensions of a=61.5 Å, b=69.0 Å, and c=73.7 Å.

[0056] An alternate embodiment is the crystal described above wherein the kinase-ligand complex comprises PP2 and having space group of P212121 and a unit cell of dimensions of a=42.0 Å, b=73.7 Å, and c=91.6 Å.

[0057] An alternate embodiment is the crystal described above wherein the kinase has secondary structural elements that include five beta strands and one helix in the N-terminal lobe (strands 1, 2, 3, 4 and 5 and alpha helix C), and two beta strands and seven alpha helices in the C-terminal domain (strands 6 & 8, and alpha helices D, E, EF, F, G, H and I).

[0058] Another embodiment is a method of using the kinase-ligand crystals described herein In an inhibitor screening assay comprising:

[0059] (a) selecting a potential inhibitor by performing rational drug design with the three-dimensional structure determined for the crystal, wherein said selecting is performed in conjunction with computer modeling;

[0060] (b) contacting the potential inhibitor with the kinase; and

[0061] (c) detecting the ability of the potential inhibitor for inhibiting the kinase.

[0062] Alternate embodiments are those wherein the detecting the ability of the potential inhibitor for inhibiting the kinase in step (c) is performed using an enzyme inhibition assay, or alternatively those wherein the detecting the ability of the potential inhibitor for inhibiting the kinase in step (c) is performed using a cellular- based assay. A further embodiment is this method further comprising:

[0063] (d) growing a supplemental crystal comprising a protein-ligand complex formed between the kinase and a first potential inhibitor from step (a), wherein the supplemental crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms;

[0064] (e) determining the three-dimensional structure of the supplemental crystal;

[0065] (f) selecting a second potential inhibitor by performing rational drug design with the three-dimensional structure determined for the supplemental crystal, wherein said selecting is performed in conjunction with computer modeling;

[0066] (g) contacting the second potential inhibitor with the kinase; and

[0067] (h) detecting the ability of the second potential inhibitor for inhibiting the kinase.

[0068] In another embodiment, the invention relates to a method for identifying a potential inhibitor of kinase comprising:

[0069] (a) selecting or designing a potential inhibitor by performing rational drug design with the three-dimensional structure coordinates of any of Tables 1-5, or alternatively any two or more of Tables 1-5, wherein said selecting is performed in conjunction with computer modeling;

[0070] (b) contacting the potential inhibitor with the kinase; and

[0071] (c) detecting the ability of the potential inhibitor for inhibiting the kinase.

[0072] Alternate embodiments are those wherein the detecting the ability of the potential inhibitor for inhibiting the kinase in step (c) is performed using an enzyme inhibition assay, or alternatively those wherein the detecting the ability of the potential inhibitor for inhibiting the kinase in step (c) is performed using a cellular- based assay. In another embodiment, the potential inhibitor is designed de novo. In yet another embodiment, the potential inhibitor is designed from a known inhibitor. A further embodiment is this method further comprising:

[0073] (d) selecting an second potential inhibitor by performing rational drug design with the three-dimensional structure coordinates of any of Tables 1-5, or alternatively any combination of two or more of Tables 1-5, and the potential inhibitor of step (a), wherein said selecting is performed in conjunction with computer modeling;

[0074] (e) contacting the potential inhibitor with a kinase; and

[0075] (f) detecting the ability of the potential inhibitor for inhibiting the kinase.

[0076] In an alternate embodiment, the invention relates to a method of using the kinase to grow a crystal of a protein-ligand complex comprising:

[0077] (a) contacting a kinase with a ligand, wherein the kinase forms a protein-ligand complex with the ligand; and

[0078] (b) growing the crystal of the protein-ligand complex; wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms.

[0079] An alternate embodiment is this method wherein said growing is performed by hanging drop vapor diffusion. Another embodiment is this method wherein said ligand is PP2, staurosporine or AMP-PNP, or alternatively, said ligand is PP2.

[0080] In an alternate embodiment, the invention relates to a method of using a kinase to produce a crystal of a protein-ligand complex comprising contacting a kinase crystal with a ligand, wherein the kinase forms a protein-ligand complex with the ligand within the crystal, and wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms. Another embodiment is this method wherein said ligand is PP2, staurosporine or AMP-PNP, or alternatively, said ligand is PP2.

[0081] In an alternate embodiment, the invention relates to a method of growing a crystal of a kinase-ligand complex wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms, comprising:

[0082] (a) contacting a kinase solution with a ligand, wherein kinase forms a protein-ligand complex with the ligand; and

[0083] (b) growing the crystal of the protein-ligand complex; wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms.

[0084] An alternate embodiment is this method wherein said growing is performed by hanging drop vapor diffusion. Another embodiment is this method wherein said ligand is PP2, staurosporine or AMP-PNP, or alternatively, said ligand is PP2.

[0085] In another embodiment, this invention relates to a method of producing a crystal of a kinase-ligand complex wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms, comprising contacting a kinase crystal with a ligand, wherein the kinase forms a protein-ligand complex with the ligand within the crystal, and wherein the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of greater than 5.0 Angstroms. An alternate embodiment is this method wherein said ligand is PP2, staurosporine or AMP-PNP, or alternatively, said ligand is PP2.

[0086] Alternate embodiments of the invention are those crystals, and methods of using such crystals or structure coordinates thereof, described herein wherein the crystals further comprise a nucleoside or nucleotide cofactor or substrate, or further comprise any one of ATP, GTP, Mg, Mn, peptides or polymeric amino acids.

[0087] In each of the methods described herein, further embodiments are those wherein the kinase is a src-family kinase, alternatively Lck, or alternatively, truncated Lck.

[0088] In another embodiment, the invention relates to a method of using the three-dimensional structure coordinates of any one of Tables 1-5, or alternatively any combination of two or more of Tables 1-5, comprising:

[0089] (a) Determining structure factors from the coordinates; and

[0090] (b) Applying said structure factor information to a set of X-ray diffraction data obtained from a crystal of a protein homologous to SEQ ID NO: 1;

[0091] (c) Solving the three-dimensional structure of the protein homologous to SEQ ID NO: 1.

[0092] In another embodiment, the invention relates to a computer-readable data storage medium (“CRM”) comprising a data storage material encoded with computer readable data, which when used by a computer programmed with instructions for using such data, displays a three-dimensional graphical representation of a molecule or molecular complex comprising a binding pocket defined by structure coordinates of SEQ ID NO.: 1, or alternatively by structure coordinates of an active site as defined herein, or a homologue of said molecule or molecular complex, wherein said homologue comprises a binding pocket that has a root mean square deviation from the backbone atoms of said amino acids of less than about 1.50 Å, or alternatively less than about 1.00 Å. In another embodiment, the aforementioned structure coordinates are those of any one or more of Tables 1-5, or a subset thereof, including the coordinates relating to the active site as defined herein.

[0093] The computer may comprise a central processing unit (“CPU”), a working memory, for example, random access memory (“RAM”) and/or storage memory in the form of one or more disk drives (e.g., floppy, Zip™, Jazz™), tape drives, CD-ROM drives, DVD drives, and the like, a display terminal such as for example, a cathode ray tube type display, and input and output lines for data transmission, including a keyboard and/or mouse controller. The computer may be a stand-alone, or connected to a network and/or shared server. Data storage materials include, for example, hard drives, floppy, Zip™ and Jazz™ type disks, tapes, CDs, and DVDs.

[0094] In another embodiment, the invention relates to a computer readable data storage material encoded with computer readable data comprising structure coordinates of any one or more of Tables 1-5, or alternatively, encoded with computer readable data comprising structure coordinates of the active site of any one or more of Tables 1-5.

[0095] In another embodiment, the invention relates to a method for identifying a potential inhibitor of a kinase comprising:

[0096] (a) selecting or designing a potential inhibitor by performing rational drug design with a computer readable data storage material encoded with computer readable data comprising structure coordinates of any one or more of Tables 1-5, wherein said selecting is performed in conjunction with computer modeling;

[0097] (b) contacting the potential inhibitor with a kinase; and

[0098] (c) detecting the ability of the potential inhibitor for inhibiting the kinase.;

[0099] In another embodiment, the computer readable data storage material in step (a) is encoded with computer readable data comprising structure coordinates of the active site of any one or more of Tables 1-5.

[0100] Table 1 contains the X-ray structure coordinates of an Lck:PP2 complex. Tables 2 and 3 contain the X-ray structure coordinates of an Lck:AMP-PNP complex. Tables 4 and 5 contain the X-ray structure coordinates of Lck:staurosporine complexes. Table 6 summarizes the diffraction data and refined model of Tables 1-5.

[0101] Another embodiment of the invention is a polynucleotide sequence encoding the polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof. Another embodiment of the invention is an expression vector comprising the polynucleotide sequence of above, and a host cell containing the vector of comprising the polynucleotide sequence of above. Host cells suitable for these purposes include, for example, mammalian, bacteria or eukaryotic and yeast cells. Standard cloning, transfection, recombinant, and expression techniques are known to those in the art.

[0102] Another embodiment of the invention is an isolated polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof.

[0103] Another embodiment of the invention is an isolated polypeptide made by a method comprising the steps of:

[0104] (a) Introducing a recombinant nucleic acid encoding a polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof, into a host cell or cellular extract;

[0105] (b) Incubating the host cell or cellular extract under conditions whereby the polypeptide is expressed; and

[0106] (c) Isolating the polypeptide.

[0107] Another embodiment of the invention is the use of an isolated polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof, for growing polypeptide:inhibitor complexes comprising contacting said polypeptide with a chemical compound, and alternatively, wherein the chemical compound is a kinase inhibitor.

[0108] Another embodiment of the invention is a method for obtaining activated Lck of high homogeneity suitable for crystallization studies, comprising the steps of:

[0109] (a) contacting a stabilizer with a polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof,

[0110] (b) isolating the polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof, from unphosphorylated and multi-phophorylated variants thereof;

[0111] and alternatively wherein wherein the stabilizer is a polyol, for example sucrose, glycerol, polyethylene glycol, sorbitol. Such stabilizers are known in the art, see for example, Collins et al., Quarterly Review of Biophysics, 18, (1985), pp. 323-422.

[0112] Another embodiment of the invention is a stabilized form of activated Lck of high homogeneity suitable for crystallization studies, comprising (a) a polypeptide comprising residues 235-501 of SEQ ID NO.: 1, and further comprising the sequence Arg-His-His-His-His-His-His attached to residue 501 and methionine attached to residue 235, or having conservative substitutions thereof, and (b) a kosmotropes (as defined in Collins), and alternatively wherein the activated Lck of further comprises (c) an additional stabilizing agent.

[0113] Crystals of the kinase or kinase-ligand complex can be produced or grown by a number of techniques including batch crystallization, vapor diffusion (either by sitting drop or hanging drop), soaking, and by microdialysis. Seeding of the crystals in some instances is required to obtain X-ray quality crystals. Standard micro and/or macro seeding of crystals may therefore be used. Preferably, the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution greater than 5.0 Angstroms, alternatively greater than 3.0 Angstroms, or alternatively greater than 2.0 Angstroms. Exemplified in the Examples section below is the hanging-drop vapor diffusion procedure.

[0114] Once a crystal of the present invention is produced, X-ray diffraction data can be collected. The example below used standard cryogenic conditions for such X-ray diffraction data collection though alternative methods may also be used. For example, diffraction data can be collected by using X-rays produced in a conventional source (such as a sealed tube or rotating anode) or using a synchrotron source. Methods of X-ray data collection include, but are not limited to, precession photography, oscillation photography and diffractometer data collection. Data can be processed using packages including, for example, DENZO and SCALPACK (Z. Otwinowski and W. Minor) and the like.

[0115] The three-dimensional structure of the protein or protein-ligand complex constituting the crystal may be determined by conventional means as described herein. Where appropriate, the structure factors from the three-dimensional structure coordinates of a related protein may be utilized to aid the structure determination of the protein-ligand complex. Structure factors are mathematical expressions derived from three-dimensional structure coordinates of a molecule. These mathematical expressions include, for example, amplitude and phase information. The term “structure factors” is known to those of ordinary skill in the art. Alternatively, the three-dimensional structure of the protein-ligand complex may be determined using molecular replacement analysis. This analysis utilizes a known three-dimensional structure as a search model to determine the structure of a closely related protein-ligand complex. The measured X-ray diffraction intensities of the crystal are compared with the computed structure factors of the search model to determine the position and orientation of the protein in the protein-ligand complex crystal. Computer programs that can be used in such analyses include, for example, X-PLOR and AmoRe (J. Navaza, Acta Crystallographics ASO, 157-163 (1994)). Once the position and orientation are known, an electron density map may be calculated using the search model to provide X-ray phases. The electron density can be inspected for structural differences and the search model may be modified to conform to the new structure. Using this approach, one may use the structure of the kinase-ligand complex or complexes described herein to solve other kinase-ligand complex crystal structures, or other kinase crystal structures, particularly where the kinase is homologous to Lck. Computer programs that can be used in such analyses include, for example, QUANTA and the like.

[0116] Upon determination of the three-dimensional structure of a crystal of a kinase-ligand complex, a potential inhibitor may be evaluated by any of several methods, alone or in combination. Such evaluation may utilize visual inspection of a three-dimensional representation of the active site, based on the X-ray coordinates of a crystal described herein, on a computer screen. Evaluation, or modeling, may be accomplished through the use of computer modeling techniques, hardware, and software known to those of ordinary skill in the art. This may additionally involve model building, model docking, or other analysis of kinase-ligand interactions using software including, for example, QUANTA or SYBYL, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields including, for example, CHARMM and AMBER. The three-dimensional structural information of a kinase-ligand complex may also be utilized in conjunction with computer modeling to generate computer models of other kinase protein structures, particularly those with homology to the kinase from which the three-dimensional structural information was determined. Using the structure coordinates described herein, computer models of kinase protein structures of src-family kinases, or of kinases that share sequence homology in the kinase domain or the active site as compared to Lck, may be created using standard methods and techniques known to those of ordinary skill in the art, including software packages described herein.

[0117] Once the three-dimensional structure of a crystal comprising a protein-ligand complex formed between a kinase and a standard ligand for that kinase is determined, a potential ligand is examined through the use of computer modeling using a docking program such as FLEX X, DOCK, or AUTODOCK (see, Dunbrack et al., Folding & Design, 2:R27-42 (1997)), to identify potential ligands and/or inhibitors for kinases. This procedure can include computer fitting of potential ligands to the ligand binding site to ascertain how well the shape and the chemical structure of the potential ligand will complement the binding site. [Bugg et al., Scientific American, December:92-98 (1993); West et al., TIPS, 16:67-74 (1995)]. Computer programs can also be employed to estimate the attraction, repulsion, and steric hindrance of the two binding partners (i.e., the ligand-binding site and the potential ligand). Generally the tighter the fit, the lower the steric hindrances, and the greater the attractive forces, the more potent the potential drug since these properties are consistent with a tighter binding constant. Furthermore, the more specificity in the design of a potential drug, the more likely that the drug will not interact as well with other proteins. This will minimize potential side-effects due to unwanted interactions with other proteins.

[0118] A variety of methods are available to one skilled in the art for evaluating and virtually screening molecules or chemical fragments appropriate for associating with a protein, particularly a kinase enzyme. Such association may be in a variety of forms including, for example, steric interactions, van der Waals interactions, electrostatic interactions, solvation interactions, charge interactions, covalent bonding interactions, non-covalent bonding interactions (e.g., hydrogen-bonding interactions), entropically or enthalpically favorable interactions, and the like.

[0119] Numerous computer programs are available and suitable for rational drug design and the processes of computer modeling, model building, and computationally identifying, selecting and evaluating potential inhibitors in the methods described herein. These include, for example, GRID (available form Oxford University, UK), MCSS (available from Molecular Simulations Inc., Burlington, Mass.), AUTODOCK (available from Oxford Molecular Group), FLEX X (available from Tripos, St. Louis. Mo.), DOCK (available from University of California, San Francisco), CAVEAT (available from University of California, Berkeley), HOOK (available from Molecular Simulations Inc., Burlington, Mass.), and 3D database systems such as MACCS-3D (available from MDL Information Systems, San Leandro, Calif.), UNITY (available from Tripos, St. Louis. Mo.), and CATALYST (available from Molecular Simulations Inc., Burlington, Mass.). Potential inhibitors may also be computationally designed “de novo” using such software packages as LUDI (available from Biosym Technologies, San Diego, Calif.), LEGEND (available from Molecular Simulations Inc., Burlington, Mass.), and LEAPFROG (Tripos Associates, St. Louis, Mo.). Compound deformation energy and electrostatic repulsion, may be evaluated using programs such as GAUSSIAN 92, AMBER, QUANTA/CHARMM, AND INSIGHT II/DISCOVER. These computer evaluation and modeling techniques may be performed on any suitable hardware including for example, workstations available from Silicon Graphics, Sun Microsystems, and the like. These techniques, methods, hardware and software packages are representative and are not intended to be comprehensive listing. Other modeling techniques known in the art may also be employed in accordance with this invention. See for example, N. C. Cohen, Molecular Modeling in Drug Design, Academic Press (1996) (and references therein), and software identified at internet sites including the CAOS/CAMM Center Cheminformatics Suite at http://www.caos.kun.nl/, and the NIH Molecular Modeling Home Page at http://www.fi.muni.cz/usr/meizlik/mirrors/molbio.info.nih.gov/modeling/software list/.

[0120] A potential inhibitor is selected by performing rational drug design with the three-dimensional structure (or structures) determined for the crystal described herein, especially in conjunction with computer modeling and methods described above. The potential inhibitor is then obtained from commercial sources or is synthesized from readily available starting materials using standard synthetic techniques and methodologies known to those of ordinary skill in the art. The potential inhibitor is then assayed to determine its ability to inhibit the target enzyme and/or enzyme pathway as described above.

[0121] The potential inhibitor selected or identified by the aforementioned process may be assayed to determine its ability to inhibit the target enzyme and/or enzyme pathway. The assay may be in vitro or in vivo. Inhibition can be measured by various methods, including, for example, those methods illustrated in the examples below. The compounds described herein may be used in assays, including radiolabelled, antibody detection and fluorometric, for the isolation, identification, or structural or functional characterization of enzymes, peptides or polypeptides. Such assays include any assay wherein a nucleoside or nucleotide are cofactors or substrates of the peptide of interest, and particularly any assay involving phosphotransfer in which the substrates and or cofactors are ATP, GTP, Mg, Mn, peptides or polymeric amino acids. The assay may be an enzyme inhibition assay, utilizing a full length or truncated kinase, said enzyme having sequence homology with that of mammalian origin, including for example, human, murine, rat, and the like. The enzyme is contacted with the potential inhibitor and a measurement of the binding affinity of the potential inhibitor against a standard is determined. Such assays are known to one of ordinary skill in the art and are exemplified in the examples herein. The assay may also be a cell-based assay. The potential inhibitor is contacted with a cell and a measurement of inhibition of a standard marker produced in the cell is determined. Cells may be either isolated from an animal, including a transformed cultured cell, or may be in a living animal. Such assays are also known to one of ordinary skill in the art and are exemplified in the examples herein.

[0122] When suitable potential ligands are identified as described above, a supplemental crystal can be produced or grown (using techniques described herein) that comprises a protein-ligand complex formed between a kinase, src kinase, lck, or truncated Ick and the potential ligand. Preferably, the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution greater than 5.0 Angstroms, alternatively greater than 3.0 Angstroms, or alternatively greater than 2.0 Angstroms. The three-dimensional structure of the protein-ligand complex constituting the supplemental crystal may be determined by conventional means such as those described herein.

[0123] A potential inhibitor is selected by performing rational drug design with the three-dimensional structure (or structures) determined for the supplemental crystal, especially in conjunction with computer modeling described above. The potential inhibitor is then obtained from commercial sources or is synthesized from readily available starting materials using standard synthetic techniques and methodologies known to those of ordinary skill in the art. The potential inhibitor is then assayed to determine its ability to inhibit the target enzyme and/or enzyme pathway as described above.

[0124] For all potential inhibitor assays described herein, further refinements to the structure of the potential inhibitor will generally be necessary and can be made by successive iterations of any/or all of the steps provided by the inhibitor screening assay.

[0125] The inhibitors identified by the methods described herein may also be useful for inhibition of kinase activity of one or more enzymes. Kinases include, for example, protein kinases, lipid kinases (e.g., phosphatidylinositol kinases PI-3, PI-4) and carbohydrate kinases. Kinases may be of prokaryotic, eukaryotic, bacterial, viral, fungal or archaea origin. Specifically, the compounds described herein are useful as inhibitors of tyrosine, serine/threonine or histidine protein kinases. Examples of kinases that are inhibited by the compounds and compositions described herein and against which the methods described herein are useful include, but are not limited to, LCK, IRK (=INSR=Insulin receptor), IGF-1 receptor, SYK, ZAP-70, IRAK1, IRAK2, BLK, BMX, BTK, FRK, FGR, FYN, HCK, ITK, LYN, TEC, TXK, YES, ABL, SRC, EGF-R (=ErbB-1), ErbB-2 (=NEU=HER2), ErbB-3, ErbB-4, FAK, FGF1R (=FGR-1), FGF2R (=FGR-2), IKK-1 (=IKK-ALPHA=CHUK), IKK-2 (=IKK-BETA), MET (=c-MET), NIK, PDGF receptor ALPHA, PDGF receptor BETA, TIE1, TIE2 (=TEK), VEGFRI (=FLT-1), VEGFR2 (=KDR), FLT-3, FLT-4, KIT, CSK, JAK1, JAK2, JAK3, TYK2, RIP, RIP-2, LOK, TAK1, RET, ALK, MLK3, COT, TRKA, PYK2, EPHB4, RON, GSK3, UL13, ORF47, ATM, CDK (including all subtypes), PKA, PKB (including all PKB subtypes) (=AKT-1, AKT-2, AKT-3), PKC (including all PKC subtypes), and bARK1 (=GRK2) (and other G-protein coupled receptor kinases (GRKs)), and all subtypes or isoforms of these kinases. The inhibitors identified by the methods described herein are suitable for use in the treatment of diseases and disease symptoms that involve one or more of the aforementioned protein kinases. In one embodiment, the inhibitors identified by the methods described herein are particularly suited for inhibition of or treatment of disease or disease symptoms mediated by src-family kinases. In an alternate embodiment, the inhibitors described herein are particularly suited for inhibition of LCK.

[0126] The inhibitors described herein are also useful for inhibiting the biological activity of any enzyme comprising greater than 90%, alternatively greater than 85%, or alternatively greater than 70% sequence homology with a kinase sequence, including the kinases mentioned herein. The inhibitors described herein are also useful for inhibiting the biological activity of any enzyme comprising a subsequence, or variant thereof, of any enzyme that comprises greater than 90%, alternatively greater than 85%, or alternatively greater than 70% sequence homology with a kinase subsequence, including subsequences of the kinases mentioned herein. Such subsequence preferably comprises greater than 90%, alternatively greater than 85%, or alternatively greater than 70% sequence homology with the sequence of an active site or subdomain of a kinase enzyme. The subsequences, or variants thereof, comprise at least about 250 amino acids, or alternatively at least about 120 amino acids.

[0127] The inhibitors described herein are useful for inhibiting the biological activity of any enzyme that binds ATP and thus for treating disease or disease symptoms mediated by any enzyme that binds ATP. The inhibitors described herein are also useful for inhibiting the biological activity of any enzyme that is involved in phosphotransfer and thus for treating disease or disease symptoms mediated by any enzyme that is involved in phosphotransfer. The inhibitors described herein are also useful for inhibiting the biological activity of a polypeptide or enzyme having sequence homology with a kinase sequence and thus for treating disease or disease symptoms mediated by such polypeptide or enzyme. Such polypeptides or enzymes may be identified by comparison of their sequence with kinase sequences and kinase catalytic domain sequences. For example, one method of comparison involves the database PROSITE (http://expasy.hcuge.ch), containing “signatures” or sequence patterns (or motifs) or profiles of protein families or domains. Thus, the inhibitors described herein are useful for inhibiting the biological activity of a polypeptide or enzyme comprising a sequence that comprises a “signature” or sequence pattern or profile derived for, and identified in PROSITE as relating to kinases, and for treating disease or disease symptoms mediated by such polypeptide or enzyme. Examples of such PROSITE motifs or consensus patterns identified as relating to kinases include PS00107, PS00108, PS00109, PS50011, PS00915, and PS00916. The term “kinases” as used in this application, unless expressly stated to the contrary, refers to protein sequences that comprise such signature, motif, or sequence or consensus patterns.

[0128] The inhibitors described herein are useful in inhibiting kinase activity. As such, the compounds, compositions and methods of this invention are useful in treating kinase-mediated disease or disease symptoms in a mammal, particularly a human. Kinase mediated diseases are those wherein a protein kinase is involved in signaling, mediation, modulation, or regulation of the disease process. Kinase mediated diseases are exemplified by the following disease classes: cancer, autoimmunological, metabolic, inflammatory, infection (bacterial, viral, yeast, fungal, etc.), central nervous system degenerative disease, allergy/asthma, angiogenesis, cardiovascular disease, and the like.

[0129] The inhibitors described herein are useful in treating or preventing diseases, including, transplant rejection (e.g., kidney, liver, heart, lung, pancreas (islet cells), bone marrow, cornea, small bowel, skin allografts or xenografts), graft versus host disease, osteoarthritis, rheumatoid arthritis, multiple sclerosis, juvenile diabetes, asthma, inflammatory bowel disease (Crohn's disease, ulcerative colitis), cachexia, septic shock, lupus, diabetes mellitus, myasthenia gravis, psoriasis, dermatitis, eczema, seborrhea, Alzheimer's disease, Parkinson's disease, stem cell protection during chemotherapy, ex vivo purging for autologous or allogeneic bone marrow transplantation, cancer (breast, lung, colorectal, ovary, prostate, renal, squamous cell, prostate, etc.), bacterial infections, viral infections, fungal infections and heart disease, including but not limited to, restenosis.

[0130] Synthetic chemistry transformations and protecting group methodologies (protection and deprotection) useful in synthesizing the inhibitor compounds described herein are known in the art and include, for example, those such as described in R. Larock, Comprehensive Organic Transformations, VCH Publishers (1989); T. W. Greene and P. G. M. Wuts, Protective Groups in Organic Synthesis, 2d. Ed., John Wiley and Sons (1991); L. Fieser and M. Fieser, Fieser and Fieser's Reagents for Organic Synthesis, John Wiley and Sons (1994); and L. Paquette, ed., Encyclopedia of Reagents for Organic Synthesis, John Wiley and Sons (1995).

[0131] The inhibitors described herein may contain one or more asymmetric centers and thus occur as racemates and racemic mixtures, single enantiomers, individual diastereomers and diastereomeric mixtures. All such isomeric forms of these compounds are expressly included in the present invention. The inhibitors described herein may also be represented in multiple tautomeric forms, all of which are included herein. The inhibitors may also occur in cis- or trans- or E- or Z- double bond isomeric forms. All such isomeric forms of such inhibitors are expressly included in the present invention. All crystal forms of the inhibitors described herein are expressly included in the present invention.

[0132] All references cited herein, whether in print, electronic, computer readable storage media or other form, are expressly incorporated by reference in their entirety, including but not limited to, abstracts, articles, journals, publications, texts, treatises, internet web sites, databases, software packages, patents, and patent publications.

[0133] In order that the invention described herein may be more readily understood, the following examples are set forth. It should be understood that these examples are for illustrative purposes only and are not to be construed as limiting this invention in any manner.

EXAMPLES

Example 1

[0134] Construct design, protein expression and purification. Full-length LCK cDNA (gift of T. Roberts, DFCI) was used as a template for PCR amplification of a 879 bp fragment encoding amino acid residues 225 to 509 of the Lck catalytic domain. The PCR product was cloned into the Bam HI and Eco RI sites of the plasmid vector pFastBac1(Gibco/BRL) modified to contain the coding region for GST and a thrombin cleavage site upstream of the multiple cloning site. Recombinant baculovirus was obtained using the Bac-to-Bac expression system (Gibco/BRL). After two rounds of amplification in Sf9 insect cells (Spodoptera frugiperda) cultured in Hink's modification of Graces media, the virus was used to infect High Five insect cells (trichoplusia ni) cells grown in Ex-cell 405 media for protein production.

[0135] Recombinant GST-Lck (225-509) was purified from baculovirus cells essentially as previously described [40], except that the first step involved fractionating cell lysates on glutathione Sepharose (Pharmacia Biotech). The GST-Lck bound to the resin was eluted with 30 mM glutathione and cleaved overnight at 4° C. with the fusion protein at 0.5 mg/ml and α-thrombin added at a 1:1000 ratio (w/w). A protease inhibitor cocktail was then added and the protein sample was incubated for 30 min at 25° C. The inhibition of thrombin was confirmed in a spectrophotometric assay as described [57, 58]. The cleaved GST and Lck were separated by anion exchange chromatography essentially as described for the separation of Lck phosphorylation species [40]. The pooled fraction of Lck was then concentrated in a centriprep-10 and size fractionated on a column of Superdex-75. The monomeric fraction appeared homogeneous by SDS and native polyacrylamide gel electrophoresis.

Example 2

[0136] Structural determination. For crystallization studies, the Lck kinase domain is slowly thawed on ice, concentrated to 10-12 mg/ml by ultrafiltration and clarified by ultracentrifugation at 200,000×g. Crystals of the Lck kinase domain in complex with AMP-PNP/Mg (5 mM) were grown from 1.6M ammonium sulfate in 0.1M bisTris (pH6.5) by the hanging drop method. These crystals are isomorphous to the apo Lck [40]. Crystals of apo Lck were obtained under the same condition as described above by microseeding the apo protein sample with the crystals of Lck:AMP-PNP. These crystals were subsequently soaked for three days in a solution containing 1.6M ammonium sulfate, 0.1M bisTris (pH6.5) and 0.3 mM staurosporine. Co-crystals of the Lck:staurosporine complex were grown from 0.1 M Tris, pH 8.5, 0.25 M Li2SO4, 20% PEG 6000 by the hanging drop method. Diffraction quality crystals were obtained after one round of macroseeding. The crystals belong to space group P212121 with unit cell dimensions 61.5×69.0×73.7 ∘3 and contain 1 complex per asymmetric unit. Lck:PP2 crystals were obtained by similar methods.

[0137] Crystals of Lck:AMP-PNP and Lck:staurosporine (soaked) were equilibrated against a solution containing 1.6M ammonium sulfate, 0.1M bisTris and 20% ethylene glycol and frozen at 100K for data collection. Diffraction data of the crystals of Lck:AMP-PNP were collected at the X4Å beamline at Brookhaven National Laboratory using an Raxis-IV image plate detector or were collected on an Raxis-II image plate detector mounted on the RU300 generator. Diffraction data for Lck:PP2 and Lck:staurosporine co-crystals were collected on an Raxis-II image plate detector mounted on the RU300 generator. Lck:PP2 crystals were equilibrated as above prior to freezing, while Lck:staurosporine co-crystals were transferred to a solution containing 0.05 M Tris, pH 8.5, 0.025 M Li2SO4, 20% PEG 6000 and 15% PEG 400 prior to freezing. All data were processed using the HKL software package (Z. Otwinowski).

[0138] The structure of the Lck:staurosporine co-complex was solved by molecular replacement using the program AmoRe (J. Navaza). The apo Lck structure was used as a search model. The initial molecular replacement solution was subject to rigid body and positional refinement using XPLOR [59] (Molecular Simulations, Inc.)

[0139] Bound ligands were identified using the difference fourier method phased by the structure of the apo Lck [40]. Model building of protein and inhibitor into electron density maps were performed using the graphic program Quanta (Molecular Simulations, Inc.), and the structures were refined using XPLOR [59]. The graphic figures were made by using Grasp [60] and Setor [61].

Example 3

[0140] Kinase activity assays. Protein kinase activity was measured in two different in vitro assays. In the first assay, the kinase of interest was incubated with [33P]-ATP in a 96-well plate previously coated with substrate (i.e. poly[Glu, Tyr]4:1) and the kinase activity determined in a Microbeta, Wallac Top-Count (Packard Instruments). In the second assay, protein kinase autophosphorylation was examined. GST fused Lck proteins consisting of either the kinase domain (Residues 225-509) or nearly full length (Residues 66-509) sequences were incubated in 10 mM Mg2+, 25 mM Tris 7.5, 1 mM DTT, 1 μM ATP (10 μCi/ml [33P]ATP) for 5 minutes at room temperature with the indicated concentration of compounds. The reaction was stopped by addition of one volume of 10% TCA and filtered through a millipore filter plate. After 3 washes with 200 μl 10% TCA, 50 μl of scintillation cocktail was added to each well and the plate was read in a microbeta scintillation counter (Wallach).

Example 4

[0141] T-cell activation. Whole blood was obtained from normal donors and human peripheral blood lymphocytes (hPBL) were isolated by ficol-hypaque density centrifugation. T-cells were then purified from the hPBL by negative selection using an R&D column following the manufacturers directions (R&D Systems, Minneapolis, Minn.). A 96-well flat-bottomed plate was coated with 10 μg/ml of goat anti-mouse (GAM)-IgG1 (Caltag, Burlingame, Calif.) in PBS overnight at 4C. The GAM-coated plate was flicked out and anti-CD3 mAb (UCHT-1, Coulter/Immunotech, Miami, Fla.) is added at 0.2 μg/ml in AIMV medium (Gibco, Grand Island, N.Y.) for 3 hr. at 37C. Purified T-cells were pre-incubated at 1×105/well in AIM V with or without compound for 30 minutes then transferred to the anti-CD3 capture plate. Finally, anti-CD28 (Pharmingen, San Diego, Calif.) in AIMV (150 ng/ml final) was added to each well. Cells were incubated for 20 hours at 37C in 5% CO2 then supernatants were tested by ELISA for cytokine levels (Endogen, Woburn, Mass.).

Example 5

[0142] Phosphotyrosine western blotting. Jurkat (ATCC, Manassas, Va.) cells (1×107) in RPMI-1640 (Gibco, Grand Island, N.Y.) containing 10% FCS (Sigma, St. Louis, Mo) were incubated with or without anti-CD3 mAb (UCHT-1, 10 μg/ml) for 15 minutes on ice. Cells were washed in cold PBS then incubated with or without GAM-IgG1 (10 μg/ml) in RPMI-1640 containing 10% FCS for 15 minutes on ice. Cells were then transferred to 37° C. water bath for 1 minute. Stimulation was stopped by the addition of 5 volumes of cold PBS containing 200 μM sodium orthovanadate. Cells were spun down and lysed in 150 mM Tris/10 mM HEPES buffer, pH 7.3, containing 1% Triton X-100 and Complete protease inhibitor cocktail (Boehringer Mannheim, Germany) for 30 minutes on ice. Whole cell lysates (2×106 /cell equivalents per lane) were separated by 14% reducing SDS-PAGE and transferred to PVDF membrane. Blots were probed with anti-phosphotyrosine (4G10, Upstate Biotechnology, Inc., Saranac Lake, N.Y.) and developed using ECL-plus following the manufacturers directions (Amersham, Arlington Heights, Ill.).

Example 6

[0143] Kinases suitable for use in the following protocol to determine kinase activity of the compounds described herein include, but are not limited to: Lck, Lyn, Src, Fyn, Syk, Zap-70, Itk, Tec, Btk, EGFR, ErbB2, Kdr, Tek, c-Met, InsR.

[0144] Kinases are expressed as either kinase domains or full length constructs fused to glutathione S-transferase (GST) or polyHistidine tagged fusion proteins in either E. coli or Baculovirus-High Five expression systems. They are purified to near homogeneity by affinity chromatography essentially as previously described (Lehr et al., 1996; Gish et al., 1995). In some instances, kinases are co-expressed or mixed with purified or partially purified regulatory polypeptides prior to measurement of activity.

[0145] Kinase activity and inhibition are measured essentially by established protocols (Braunwalder et al., 1996). Briefly, The transfer of 33PO4 from ATP to the synthetic substrates poly(Glu, Tyr) 4:1 or poly(Arg, Ser) 3:1 attached to the bioactive surface of microtiter plates serves as the basis to evaluate enzyme activity. After an incubation period, the amount of phosphate transferred is measured by first washing the plate with 0.5% phosphoric acid, adding liquid scintillant, and then counting in a liquid scintillation detector. The IC50 is determined by the concentration of compound that causes a 50% reduction in the amount of 33p incorporated onto the substrate bound to the plate.

[0146] Other similar methods whereby phosphate is transferred to peptide or polypeptide substrate containing tyrosine, serine, threonine, or histidine, either alone, in combination, or in combination with other amino acids, in solution or immobilized (i.e., solid phase) are also useful. Alternatively, kinase activity can be measured using antibody-based methods whereby an antibody or polypeptide is used as a reagent to detect phosphorylated target polypeptide.

Example 6 References

[0147] Braunwalder A F, Yarwood D R, Hall T, Missbach M, Lipson K E, Sills M A. (1996). A solid-phase assay for the determination of protein tyrosine kinase activity of c-src using scintillating microtitration plates. Anal. Biochem. 234(1):23-26.

[0148] Gish G, McGlone M L, Pawson T, Adams J A. (1995). Bacterial expression, purification and preliminary kinetic description of the kinase domain of v-fps—Protein Eng. 8(6):609-614.

[0149] Lehr R V, Ma Y G, Kratz D, Brake P G, Wang S, Faltynek C R, Wang X M, Stevis P E (1996). Production, purification and characterization of non-myristylated human T-cell protein tyrosine kinase in a baculovirus expression system. Gene 169(2):27527-9.

Example 7

[0150] The cellular activities of the inhibitor compounds described herein may be assessed in a number of assays known to those skilled in the art, some of which are exemplified as described below. Typical sources for cells include, but are not limited to, human bone marrow or peripheral blood lymphocytes, or their equivalents, or rodent spleen cells. Transformed cell lines that have been reported as cytokine- and growth factor-dependent cells are available from standard cell banks such as The American Type Culture Collection (Bethesda, Md.). Cells genetically manipulated to express a particular kinase or kinases are also suitable for use in assaying cellular activity. These cells are grown in various standard tissue culture media available from suppliers such as GIBCO/BRL (Grand Island, N.Y.) supplemented with fetal bovine serum. Cellular activity may also be measured using bacterial, yeast, or virally infected mammalian cells. Standard inhibitors of cell activation include mycophenolic acid (SIGMA, St. Louis, Mo.), staurosporine (Calbiochem, San Diego, Calif.), wortmannin (Calbiochem), cyclosporine, FK-506, and steroids (e.g., corticosteroids).

[0151] The compound(s) are tested for activity in cellular assays of T or B cell activation. For example, the receptor-induced production of cytokines and/or cell proliferation is a useful measure. This assay is performed similarly to techniques described in the literature (1,2), and involves antibody-, antigen-, mitogen-, or antigen presenting cell-mediated crosslinking of the T cell or B cell receptor with or without engagement of co-stimulatory receptors.

[0152] The compound(s) are tested for activity in cellular assays of allergic mediator release. For example, the receptor-induced degranulation in mast cells or basophils leading to histamine release and the production of cytokines is a useful measure. This assay is performed similarly to techniques described in the literature (3), and involves crosslinking of antigen-specific IgE on cells leading to degranulation and or cytokine production.

[0153] The compound(s) are tested for activity in cellular assays of growth factor effects. For example, growth factor receptor-induced signaling in a cell leading to intracellular signaling events such as kinase autophosphorylation, phosphorylation of relevant kinase substrates, phosphorylation of MAP kinases, or induction of gene expression. Also, for example, growth factor-induced functional events in cells such as DNA synthesis, proliferation, migration, or apoptosis. These assays are performed similarly to techniques described in the literature (4-7), and involve addition of growth factor to responsive cells followed by monitoring of signaling or functional events.

[0154] The compound(s) are tested for activity in cellular assays of cytokine activation. For example, cytokine-induced intracellular signaling events and/or cell proliferation and/or cytokine production are a useful measure. This assay is performed similarly to techniques described in the literature (8), and involves addition of cytokine to responsive cells followed by monitoring intracellular signaling events and/or cell proliferation and/or cytokine production.

Example 7 References

[0155] 1. Shuji, K., et al. Activation of p21-CDC42/Rac-activated kinases by CD28 signaling: p21-activated kinase (PAK) and MEK kinase 1 (MEKK1) may mediate the interplay between CD3 and CD28 signals. J. Immunol. 160: 4182-4189 (1998).

[0156] 2. Satterthwaite, A. B., et al., Independent and opposing roles for Btk and Lyn in B cell and myeloid signaling pathways. J. Exp. Med. 188: 833-844 (1998).

[0157] 3. Stephan, V., et al. FcεR1-induced protein tyrosine phosphorylation of pp72 in rat basophilic leukemia cells (RBL-2H3). J. Biol. Chem. 267 (8): 5434-5441 (1992).

[0158] 4. Olayioye, M. A., et al. ErbB-1 and ErbB-2 acquire distinct signaling properties dependent upon their dimerization partner. Molecular and Cellular Biology. 18(9): 5042-5051 (1998).

[0159] 5. Buchdunger, E., et al. Inhibition of the Abl protein-tyrosine kinase in vitro and in vivo by a 2-phenylaminopyrimidine derivative. Cancer Res. 56;101-104 (1996).

[0160] 6. Yoshida, A. et al., Differential endothelial migration and proliferation to basic fibroblast growth factor and vascular endothelial growth factor. Growth Factors. 13:57-64 (1996).

[0161] 7. Brunet, A., et al., Akt promotes cell survival by phosphorylating and inhibiting forkhead transcription factor. Cell. 96:857-868 (1999).

[0162] 8. Liu, K. D., et al. Janus kinases in interleukin-2-mediated signaling: JAK1 and JAK3 are differentially regulated by tyrosine phosphorylation. Current Biology. 7 (11): 817-826 (1997).

Example 8

[0163] pFBILCK 235-501 RH6 (LCK6) encodes the kinase domain of the LCK tyrosine kinase with a carboxy-terminal six-histidine tag preceded by an arginine. The arginine allows for cleavage of the histidine residues by carboxypeptidase A. The plasmid and resulting recombinant baculovirus are made using standard techniques of molecular biology as follows: A polymerase chain reaction (PCR) reaction is set up using the full length wild type human LCK as template and the following synthetic DNAs as primers:

25′-CAGAAGAGATCTATGGAGGACGAGTGGGAGGTTCCCAGG-3′5′-CCACAGGAATTCAGTGATGGTGGTGATGATGACGTGTGGCCGTGAAGAAGTCCTCCAG-3′

[0164] The resulting 853 base pair long PCR product is purified, cleaved with Bam HI and Eco RI restriction endonucleases and ligated into the similarly cleaved vector pFastBacl. (GIBCO/BRL) Ligation mixes are transformed into E. coli DH10B. Ampicillin resistant colonies are screened for the presence of the LCK insert by colony PCR using primers specific for the vector: (5′-GTTCTAGTGGTTGGCTAC-3′ and 5′-CCTCTACAAATGTGGTATGGCTG-3′). Colonies which yielded the approximately 970 base pair insert are further checked by restriction digest and automated Sanger dideoxy-DNA sequencing. A positive clone is transposed into a full length baculovirus genome using the FastBac system (GIBCO/BRL- Life technologies). White colonies (transposition positive) are picked and grown to produce bacmid DNA. The isolated bacmid DNA is transfected into Spodoptera frugiperda (Sf9) insect cells. After 4 days, virus is harvested and subjected to two rounds of amplification. The amplified virus is used to infect large scale cultures of Trichoplusia ni (Hi5) insect cells for recombinant protein production.

Example 9

[0165] Purification of Lck enzyme (Lck 6): All the protein purification conditions are performed at 4° C. Typically, 300 g of cell paste is resuspended at a ratio of 0.3 g/ml in buffer A [25 mM HEPES (pH 8), 300 mM NaCl, 10% glycerol, 2.5 mM β-mercaptoethanol] containing 100 mM 4-(2-aminoethyl)benzenesulfonyl fluoride (AEBSF), 4 mM bestatin, 1.5 mM trans-Epoxysuccinyl-L-leucylamido-(4-guanidino)butane (E64), 2.5 mM Leupeptin, 1.5 mM pepstatin, 0.1 mM aprotinin and the cells are lysed by 5-6 strokes of a dounce homogenizer.

[0166] The homogenate is centrifuged at 600×g for 40 min to remove nuclei. The supernatant is then clarified by ultracentrifugation at 100,000×g for 35 min. The supernatant is removed and brought to 20% glycerol, 1 mM imidazole in buffer A and incubated overnight with 25 mL of Talon metal affinity resin (CLONTECH, Palo Alto, Calif.). The resin is packed into a column and washed with 20 bed volumes of buffer A containing 20% glycerol and 5 mM imidazole, and eluted with buffer A containing 60 mM imidazole.

[0167] The eluate is slowly diluted with 3 volumes of buffer B [25 mM Tris (pH 8.5), 15% glycerol, 1 mM DTT] and loaded onto a 10 mL Source Q column (Amersham Pharmacia Biotech, Piscataway, N.J.) with a flow rate of 6 ml/min. The column is washed with a flow rate of 8 ml/min with buffer C [25 mM Tris (pH 8.5), 75 mM NaCl, 5% glycerol, 1 mM DTT] until the OD280 reached baseline. Protein is eluted from the column at a flow rate of 8 ml/min using a 320 ml linear gradient from buffer C to buffer C containing 250 mM NaCl.

[0168] The peak fractions containing the Lck kinase domain are evaluated for phosphotyrosine by native polyacrylamide gel electrophoresis using a Phast system (Amersham Pharmacia Biotech, Piscataway, N.J.) before and after autophosphorylation or dephosphorylation with a CD45 phosphatase (Upstate biotechnology, Lake Placid, N.Y.).

[0169] Fractions containing mono-phosphorylated Lck kinase domain are then pooled, concentrated to 3-4 mg/ml and 5.0 ml of sample is further fractionated at 1 ml/min on a XK 16/100 Superdex-75 column (Amersham Pharmacia Biotech) that had been previously equilibrated with buffer D [25 mM HEPES (pH 7.5), 200 mM NaCl, 5% glycerol, 1 mM DTT]. The Lck kinase domain that elutes as a monomer is a homogenous mono-phosphorylated protein by SDS and Native polyacrylamide gel electrophoresis. The pure Lck kinase domain is aliquoted and stored at −70° C. in buffer D at 1 mg/ml.

[0170] While we have described a number of embodiments of this invention, it is apparent that our basic examples may be altered to provide other embodiments that utilize the products and processes of this invention. Therefore, it will be appreciated that the scope of this invention is to be defined by the claims rather than by the specific embodiments that have been represented by way of example.

References

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[0176] 6. Thome, M., Germain, V., DiSanto, J. P. & Acuto, O. (1996). The p56lck SH2 domain mediates recruitment of CD8/p56lck to the activated T cell receptor/CD3/zeta complex. Eur. J. Immunol. 26, 2093-2100.

[0177] 7. Chu, K. & Littman, D. R. (1994). Requirement for kinase activity of CD4-associated p56lck in antibody-triggered T cell signal transduction. J. Biol. Chem. 269, 24095-24101.

[0178] 8. Chalupny, N. J., Ledbetter, J. A. & Kavathas, P. (1991). Association of CD8 with p56lck is required for early T cell signaling events. Embo J. 10, 1201-1207.

[0179] 9. van Oers, N. S., Killeen, N. & Weiss, A. (1996). Lck regulates the tyrosine phosphorylation of the T cell receptor subunits and ZAP-70 in murine thymocytes. J. Exp. Med. 183, 1053-1062.

[0180] 10. Kersh, E. N., Shaw, A. S. & Allen, P. M. (1998). Fidelity of T cell activation through multistep T cell receptor zeta phosphorylation. Science 281, 572-575.

[0181] 11. Madrenas, J., Wange, R. L., Wang, J. L., Isakov, N., Samelson, L. E. & Germain, R. N. (1995). Zeta phosphorylation without ZAP-70 activation induced by TCR antagonists or partial agonists. Science 267, 515-518.

[0182] 12. Straus, D. B. & Weiss, A. (1993). The CD3 chains of the T cell antigen receptor associate with the ZAP-70 tyrosine kinase and are tyrosine phosphorylated after receptor stimulation. J. Exp. Med. 178, 1523-1530.

[0183] 13. Wange, R. L., Kong, A. N. & Samelson, L. E. (1992). A tyrosine-phosphorylated 70-kDa protein binds a photoaffinity analogue of ATP and associates with both the zeta chain and CD3 components of the activated T cell antigen receptor. J. Biol. Chem. 267, 11685-11688.

[0184] 14. Chan, A. C., Irving, B. A., Fraser, J. D. & Weiss, A. (1991). The zeta chain is associated with a tyrosine kinase and upon T-cell antigen receptor stimulation associates with ZAP-70, a 70-kDa tyrosine phosphoprotein. Proc. Natl. Acad. Sci. USA 88, 9166-9170.

[0185] 15. Isakov, N., Wange, R. L., Burgess, W. H., Watts, J. D., Aebersold, R. & Samelson, L. E. (1995). ZAP-70 binding specificity to T cell receptor tyrosine-based activation motifs: the tandem SH2 domains of ZAP-70 bind distinct tyrosine-based activation motifs with varying affinity. J. Exp. Med. 181, 375-380.

[0186] 16. Wange, R. L., Malek, S. N., Desiderio, S. & Samelson, L. E. (1993). Tandem SH2 domains of ZAP-70 bind to T cell antigen receptor zeta and CD3 epsilon from activated Jurkat T cells. J. Biol. Chem. 268, 19797-19801.

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3TABLE 1Coordinates of Lck bound with PP2AtomTypeRes#XYZOccBATOM1CBLYS2310.99126.79989.4591.0035.40ATOM2CGLYS2310.37426.96288.1071.0037.62ATOM3CDLYS2310.90525.83487.2451.0039.89ATOM4CELYS2310.21425.74085.9041.0041.37ATOM5NZLYS2310.93324.71685.0761.0041.65ATOM9CLYS2311.69427.68591.6031.0031.30ATOM10OLYS2312.77428.25991.6451.0031.13ATOM13NLYS2311.18429.23889.8511.0034.51ATOM15CALYS2310.76327.93190.4501.0032.98ATOM16NPRO2321.27826.85192.5791.0030.24ATOM17CDPRO232−0.03326.19292.7461.0029.57ATOM18CAPRO2322.14826.56093.7221.0026.98ATOM19CBPRO2321.27725.63394.5901.0026.85ATOM20CGPRO2320.32125.04593.6581.0028.72ATOM21CPRO2323.41025.87093.1801.0024.72ATOM22OPRO2323.41125.24992.1271.0023.36ATOM23NTRP2334.50626.02493.8961.0025.48ATOM25CATRP2335.79325.47393.4701.0023.55ATOM26CBTRP2336.87825.76194.5351.0023.19ATOM27CGTRP2336.73124.98095.8391.0022.23ATOM28CD2TRP2337.15323.62496.1131.0021.73ATOM29CE2TRP2336.84523.35797.4611.0022.74ATOM30CE3TRP2337.76222.61595.3471.0022.69ATOM31CD1TRP2336.20325.45196.9951.0020.43ATOM32NE1TRP2336.27624.49497.9721.0022.28ATOM34CZ2TRP2337.11322.11298.0761.0022.05ATOM35CZ3TRP2338.03721.37295.9571.0020.26ATOM36CH2TRP2337.70921.13997.3061.0021.81ATOM37CTRP2335.77523.97693.1151.0024.28ATOM38OTRP2336.47423.54292.1861.0021.45ATOM39NTRP2344.97023.18493.8251.0023.01ATOM41CATRP2344.91421.74893.5401.0022.90ATOM42CBTRP2344.25920.99094.7141.0020.97ATOM43CGTRP2342.86221.45395.0771.0019.50ATOM44CD2TRP2342.50522.37096.1241.0018.76ATOM45CE2TRP2341.08722.43996.1551.0018.03ATOM46CE3TRP2343.24023.13997.0281.0020.40ATOM47CD1TRP2341.68521.02894.5231.0019.50ATOM48NE1TRP2340.61421.61395.1761.0018.89ATOM50CZ2TRP2340.39523.24197.0601.0019.36ATOM51CZ3TRP2342.54523.95097.9371.0021.59ATOM52CH2TRP2341.13223.98897.9421.0021.04ATOM53CTRP2344.25721.40592.1921.0023.16ATOM54OTRP2344.44220.31691.6301.0021.44ATOM55NGLU2353.47422.34091.6741.0024.87ATOM57CAGLU2352.80922.16990.3811.0027.37ATOM58CBGLU2351.34822.61290.4861.0029.65ATOM59CGGLU2350.49821.74191.3871.0031.86ATOM60CDGLU235−0.98322.04991.2811.0036.12ATOM61OE1GLU235−1.35823.12890.7771.0037.74ATOM62OE2GLU235−1.78321.19791.7051.0037.52ATOM63CGLU2353.50222.99889.2961.0028.36ATOM64OGLU2353.17722.92388.1151.0030.14ATOM65NASP2364.43123.83389.7361.0030.43ATOM67CAASP2365.19024.74188.8851.0031.53ATOM68CBASP2366.01425.63789.8221.0034.01ATOM69CGASP2366.35926.96189.2311.0035.33ATOM70OD1ASP2365.87427.29888.1241.0037.56ATOM71OD2ASP2367.12327.67789.9021.0036.77ATOM72CASP2366.15324.03587.9221.0030.91ATOM73OASP2366.87323.10288.2831.0031.33ATOM74NGLU2376.25924.58386.7231.0029.27ATOM76CAGLU2377.17924.06685.7331.0028.93ATOM77CBGLU2376.73424.48284.3241.0031.31ATOM78CGGLU2376.00525.83984.2371.0033.53ATOM79CDGLU2374.58125.80384.8341.0036.26ATOM80OE1GLU2373.82124.86084.4861.0040.24ATOM81OE2GLU2374.23326.67485.6721.0035.72ATOM82CGLU2378.60324.57885.9931.0029.26ATOM83OGLU2379.56824.07585.4181.0030.63ATOM84NTRP2388.74825.54686.8961.0026.50ATOM86CATRP23810.04826.12287.1691.0024.60ATOM87CBTRP2389.96527.63987.0651.0027.03ATOM88CGTRP2389.90028.10385.6381.0028.24ATOM89CD2TRP2388.74428.54784.9441.0030.29ATOM90CE2TRP2389.13428.86483.6211.0030.52ATOM91CE3TRP2387.40528.70485.3131.0029.46ATOM92CD1TRP23810.92828.16084.7381.0029.31ATOM93NE1TRP23810.48028.61583.5181.0030.13ATOM95CZ2TRP2388.25429.32382.6791.0030.01ATOM96CZ3TRP2386.53229.15584.3851.0032.47ATOM97CH2TRP2386.95029.46583.0731.0033.11ATOM98CTRP23810.80225.72488.4371.0022.43ATOM99OTRP23812.02625.85688.4681.0022.74ATOM100NGLU23910.10025.31389.4961.0017.81ATOM102CAGLU23910.78624.90690.7141.0016.97ATOM103CBGLU2399.84024.54591.8541.0016.07ATOM104CGGLU23910.58624.47693.1861.0018.77ATOM105CDGLU23910.86125.85193.8161.0019.99ATOM106OE1GLU23910.15426.83593.4681.0020.95ATOM107OE2GLU23911.72825.93794.7161.0015.13ATOM108CGLU23911.68723.72690.4141.0016.51ATOM109OGLU23911.34122.83189.6411.0016.73ATOM110NVAL24012.82623.70991.0801.0015.81ATOM112CAVAL24013.81322.69690.8421.0015.66ATOM113CBVAL24014.74723.26889.7311.0018.62ATOM114CG1VAL24016.14023.70690.2921.0015.18ATOM115CG2VAL24014.74722.42488.5171.0016.45ATOM116CVAL24014.54222.47992.1511.0015.04ATOM117OVAL24014.74623.42792.9341.0015.18ATOM118NPRO24114.83221.20292.4921.0014.96ATOM119CDPRO24114.38919.96791.7941.0012.45ATOM120CAPRO24115.55620.88393.7381.0014.57ATOM121CBPRO24115.73019.35193.6371.0014.89ATOM122CGPRO24114.44918.93292.8791.0013.42ATOM123CPRO24116.92321.56193.6621.0014.29ATOM124OPRO24117.53921.56292.6151.0013.35ATOM125NARG24217.38822.15794.7521.0014.32ATOM127CAARG24218.66722.82694.7361.0016.02ATOM128CBARG24218.91123.54996.0471.0017.39ATOM129CGARG24219.95424.66495.9151.0019.83ATOM130CDARG24220.48425.10797.2871.0018.48ATOM131NEARG24219.43825.62198.1781.0018.30ATOM133CZARG24218.85026.80298.0301.0020.27ATOM134NH1ARG24219.18827.59097.0171.0019.01ATOM137NH2ARG24217.92827.19998.8871.0019.75ATOM140CARG24219.85221.88994.4231.0017.15ATOM141OARG24220.88522.34393.9041.0013.41ATOM142NGLU24319.66320.58194.6601.0015.70ATOM144CAGLU24320.69019.55594.3911.0017.46ATOM145CBGLU24320.21918.15794.8791.0021.17ATOM146CGGLU24320.10118.00996.3751.0026.41ATOM147CDGLU24318.89118.73196.9061.0029.87ATOM148OE1GLU24317.83018.65196.2611.0030.02ATOM149OE2GLU24319.00819.38097.9611.0033.72ATOM150CGLU24321.01919.43792.8961.0015.84ATOM151OGLU24322.07318.88692.5091.0013.74ATOM152NTHR24420.10519.89992.0451.0013.19ATOM154CATHR24420.34019.82990.6181.0012.84ATOM155CBTHR24419.06220.17989.8361.0012.93ATOM156OG1THR24418.61421.49790.2251.0015.83ATOM158CG2THR24417.96019.14590.1081.0012.75ATOM159CTHR24421.41620.81090.1891.0012.09ATOM160OTHR24421.91920.75689.0821.0012.81ATOM161NLEU24521.82721.68691.0931.0013.36ATOM163CALEU24522.76622.72890.7151.0014.88ATOM164CBLEU24522.11924.08991.0471.0014.94ATOM165CGLEU24520.78724.38590.3491.0015.32ATOM166CD1LEU24520.03825.47591.1201.0015.68ATOM167CD2LEU24521.09824.81088.9141.0012.08ATOM168CLEU24524.13022.73591.3501.0015.36ATOM169OLEU24524.26822.59092.5551.0017.11ATOM170NLYS24625.12823.08690.5521.0014.82ATOM172CALYS24626.47523.17991.0871.0015.04ATOM173CBLYS24627.41422.10890.5311.0015.31ATOM174CGLYS24628.80722.16091.1931.0021.90ATOM175CDLYS24629.83221.34290.3711.0027.51ATOM176CELYS24631.22621.29191.0231.0031.22ATOM177NZLYS24632.18020.49390.1581.0033.21ATOM181CLYS24626.98424.53090.6841.0012.78ATOM182OLYS24627.07824.82989.5011.0014.00ATOM183NLEU24727.23725.37091.6750.6011.60ATOM185CALEU24727.77126.72491.4570.6010.36ATOM186CBLEU24727.33527.62392.6090.6010.23ATOM187CGLEU24725.89828.18492.5190.6012.95ATOM188CD1LEU24724.84027.10992.2720.6014.45ATOM189CD2LEU24725.57028.99793.7720.6010.02ATOM190CLEU24729.29426.63291.3160.6010.78ATOM191OLEU24730.00926.11992.1790.609.14ATOM192NVAL24829.79627.08390.1691.0014.86ATOM194CAVAL24831.21926.98089.8621.0017.81ATOM195CBVAL24831.43126.33188.4731.0017.07ATOM196CG1VAL24832.87926.47987.9981.0023.15ATOM197CG2VAL24831.07524.88888.5401.0017.53ATOM198CVAL24832.04628.24389.9131.0019.58ATOM199OVAL24833.17228.22790.4051.0021.76ATOM200NGLU24931.51229.35089.4231.0019.48ATOM202CAGLU24932.32130.56789.4001.0020.59ATOM203CBGLU24933.00830.69488.0311.0021.97ATOM204CGGLU24933.79532.00987.8931.0028.98ATOM205CDGLU24934.44232.22386.5281.0029.46ATOM206OE1GLU24934.13831.49185.5631.0033.62ATOM207OE2GLU24935.24033.16686.4121.0031.65ATOM208CGLU24931.46131.79889.6451.0020.64ATOM209OGLU24930.46232.00288.9781.0018.22ATOM210NARG25031.80132.56690.6731.0021.11ATOM212CAARG25031.06233.78190.9491.0020.75ATOM213CBARG25031.36834.30192.3521.0022.14ATOM214CGARG25030.62435.59492.6721.0025.03ATOM215CDARG25030.84136.07294.1171.0028.48ATOM216NEARG25032.21935.92894.5411.0030.65ATOM218CZARG25032.66836.24595.7481.0036.29ATOM219NH1ARG25031.83336.73896.6661.0038.58ATOM222NH2ARG25033.96036.07296.0391.0036.92ATOM225CARG25031.49734.77089.8791.0019.46ATOM226OARG25032.68534.95389.6041.0019.15ATOM227NLEU25130.52135.36389.2071.0018.03ATOM229CALEU25130.79036.30888.1391.0017.17ATOM230CBLEU25129.87236.02686.9421.0015.71ATOM231CGLEU25129.88334.60586.3991.0016.81ATOM232CD1LEU25128.81134.42985.3501.0015.28ATOM233CD2LEU25131.25934.29785.8081.0014.89ATOM234CLEU25130.54437.72488.6091.0019.19ATOM235OLEU25131.04838.68388.0201.0021.50ATOM236NGLY25229.70837.85089.6331.0018.74ATOM238CAGLY25229.35239.15290.1501.0019.05ATOM239CGLY25228.75839.06191.5311.0018.73ATOM240OGLY25228.19438.01991.9301.0016.57ATOM241NALA25328.89940.15492.2781.0019.10ATOM243CAALA25328.41540.21593.6411.0019.46ATOM244CBALA25329.46039.64794.5841.0020.66ATOM245CALA25328.09541.66694.0101.0019.86ATOM246OALA25328.79742.58393.6481.0018.61ATOM247NGLY25426.97841.85894.6961.0019.85ATOM249CAGLY25426.57743.19595.0801.0020.71ATOM250CGLY25425.76643.11396.3381.0020.71ATOM251OGLY25425.71442.06296.9911.0021.09ATOM252NGLN25525.08144.21196.6271.0021.69ATOM254CAGLN25524.23844.39997.8051.0022.87ATOM255CBGLN25523.67845.84297.7681.0024.44ATOM256CGGLN25523.06646.34399.0901.0027.91ATOM257CDGLN25522.53047.77398.9831.0028.66ATOM258OE1GLN25521.67948.16799.7561.0032.42ATOM259NE2GLN25523.01348.53198.0051.0028.11ATOM262CGLN25523.07043.41797.9321.0022.21ATOM263OGLN25522.68442.99899.0381.0020.67ATOM264NPHE25622.49243.04496.7981.0022.10ATOM266CAPHE25621.33042.14196.8321.0022.26ATOM267CBPHE25620.23342.69295.9341.0022.35ATOM268CGPHE25619.91944.13196.2111.0022.39ATOM269CD1PHE25619.43044.50397.4501.0020.34ATOM270CD2PHE25620.22545.11995.2771.0022.22ATOM271CE1PHE25619.26145.82797.7741.0022.81ATOM272CE2PHE25620.06246.46295.5971.0022.65ATOM273CZPHE25619.58546.82096.8411.0022.73ATOM274CPHE25621.58640.66796.5291.0021.89ATOM275OPHE25620.67739.85296.5791.0019.84ATOM276NGLY25722.84840.31296.2941.0021.14ATOM278CAGLY25723.14638.92495.9851.0021.14ATOM279CGLY25724.35138.72895.0901.0020.30ATOM280OGLY25725.18839.64394.9221.0018.68ATOM281NGLU25824.40437.56194.4451.0017.66ATOM283CAGLU25825.51737.22793.5891.0016.20ATOM284CBGLU25826.46336.24194.3071.0018.61ATOM285CGGLU25826.93136.68095.7011.0024.08ATOM286CDGLU25827.82735.63896.3851.0029.32ATOM287OE1GLU25827.45534.43696.4411.0030.55ATOM288OE2GLU25828.91936.01196.8581.0032.64ATOM289CGLU25825.00936.58292.3171.0015.13ATOM290OGLU25823.85436.18392.2241.0013.97ATOM291NVAL25925.87836.54591.3220.7711.50ATOM293CAVAL25925.56535.91890.0540.7711.87ATOM294CBVAL25925.45836.94488.9180.7710.59ATOM295CG1VAL25925.19536.19687.5770.7711.39ATOM296CG2VAL25924.30037.95089.2310.7712.35ATOM297CVAL25926.72134.95189.7910.7711.07ATOM298OVAL25927.87835.34089.8060.777.65ATOM299NTRP26026.37433.68889.5701.0012.75ATOM301CATRP26027.35532.63489.3391.0012.57ATOM302CBTRP26027.22331.56490.4221.0013.64ATOM303CGTRP26027.62431.96291.8391.0015.49ATOM304CD2TRP26028.76831.51092.5491.0016.17ATOM305CE2TRP26028.69332.05193.8491.0019.28ATOM306CE3TRP26029.85730.69992.2151.0018.93ATOM307CD1TRP26026.91732.75292.7101.0013.42ATOM308NE1TRP26027.54732.80693.9111.0016.08ATOM310CZ2TRP26029.66431.81194.8161.0019.80ATOM311CZ3TRP26030.83630.46393.1791.0021.11ATOM312CH2TRP26030.73331.01794.4631.0020.39ATOM313CTRP26027.11031.89688.0571.0014.42ATOM314OTRP26025.97731.87487.5441.0012.42ATOM315NMET26128.18731.30687.5341.0012.57ATOM317CAMET26128.12530.39886.3831.0014.05ATOM318CBMET26129.42630.44685.5401.0014.46ATOM319CGMET26129.46729.44984.3681.0017.51ATOM320SDMET26129.90927.73284.8241.0018.15ATOM321CEMET26131.65027.95284.7941.0021.26ATOM322CMET26128.05829.04987.1141.0012.89ATOM323OMET26128.74628.84388.0981.0012.76ATOM324NGLY26227.19228.14886.6691.0012.57ATOM326CAGLY26227.09226.86387.3341.0012.10ATOM327CGLY26226.60525.80286.3611.0010.09ATOM328OGLY26226.53926.06885.1611.0010.85ATOM329NTYR26326.31224.59586.8401.009.97ATOM331CATYR26325.79823.57185.9291.008.96ATOM332CBTYR26326.80322.42285.7491.0012.15ATOM333CGTYR26327.97022.82484.8951.0015.43ATOM334CD1TYR26327.90922.69583.5071.0017.03ATOM335CE1TYR26328.92923.12082.7111.0019.78ATOM336CD2TYR26329.10523.38185.4591.0018.36ATOM337CE2TYR26330.14923.81684.6671.0019.33ATOM338CZTYR26330.05723.67683.2951.0022.04ATOM339OHTYR26331.10024.07082.4831.0022.57ATOM341CTYR26324.51823.00186.5121.008.52ATOM342OTYR26324.41022.80187.7191.009.40ATOM343NTYR26423.56722.70285.6391.008.93ATOM345CATYR26422.28822.12186.0491.0010.98ATOM346CBTYR26421.11322.82085.3201.0011.56ATOM347CGTYR26419.77422.10885.4991.0011.28ATOM348CD1TYR26419.06922.21786.6881.009.42ATOM349CE1TYR26417.86121.57786.8721.0015.83ATOM350CD2TYR26419.24421.33184.4821.0014.76ATOM351CE2TYR26418.02820.65884.6411.0016.70ATOM352CZTYR26417.34220.78785.8511.0016.43ATOM353OHTYR26416.19420.07686.0661.0016.99ATOM355CTYR26422.36220.63285.6401.009.72ATOM356OTYR26422.63020.32684.5231.008.37ATOM357NASN26522.13119.74286.5831.0012.41ATOM359CAASN26522.16818.28186.3511.0015.00ATOM360CBASN26520.93117.83585.5421.0014.45ATOM361CGASN26519.69717.63186.4091.0016.46ATOM362OD1ASN26519.68417.96087.5931.0018.43ATOM363ND2ASN26518.64617.08585.8111.0019.57ATOM366CASN26523.48017.83385.6711.0013.32ATOM367OASN26523.47917.11284.6691.0013.22ATOM368NGLY26624.57618.44186.1341.0013.42ATOM370CAGLY26625.90318.15785.6271.0010.69ATOM371CGLY26626.37018.68384.2911.0010.57ATOM372OGLY26627.49719.19084.1881.0013.73ATOM373NHIS26725.52418.67283.2780.496.58ATOM375CAHIS26725.95919.03281.9300.494.52ATOM376CBHIS26725.51917.90680.9820.492.00ATOM377CGHIS26726.14216.57981.2980.492.01ATOM378CD2HIS26727.44316.22081.3730.492.00ATOM379ND1HIS26725.40415.46581.6220.493.59ATOM381CE1HIS26726.23314.46081.8870.492.00ATOM382NE2HIS26727.46514.89281.7410.494.45ATOM384CHIS26725.56520.34781.2770.494.81ATOM385OHIS26726.13320.75580.2900.492.00ATOM386NTHR26824.59521.01581.8631.008.43ATOM388CATHR26824.04522.24181.2711.009.66ATOM389CBTHR26822.49522.19081.3121.009.51ATOM390OG1THR26822.06421.00980.6091.0011.36ATOM392CG2THR26821.86923.47980.5881.007.84ATOM393CTHR26824.50823.48481.9781.0010.26ATOM394OTHR26824.20123.69083.1091.008.95ATOM395NLYS26925.22624.32281.2561.008.44ATOM397CALYS26925.75825.53981.8201.0010.73ATOM398CBLYS26926.79326.08580.8441.0014.43ATOM399CGLYS26927.85726.92781.4561.0020.68ATOM400CDLYS26928.94027.19880.4181.0022.81ATOM401CELYS26930.16527.82281.0801.0025.97ATOM402NZLYS26931.36527.97980.1651.0028.11ATOM406CLYS26924.61026.53882.0101.009.94ATOM407OLYS26923.76626.71381.1331.009.80ATOM408NVAL27024.56527.16183.1841.009.86ATOM410CAVAL27023.52328.12783.5071.0010.05ATOM411CBVAL27022.40727.47184.4531.009.92ATOM412CG1VAL27021.59526.38283.7161.007.56ATOM413CG2VAL27023.04026.94785.7301.007.92ATOM414CVAL27024.11229.28584.3041.008.92ATOM415OVAL27025.24429.21584.8201.006.48ATOM416NALA27123.34730.37584.3861.009.98ATOM418CAALA27123.72131.52685.2301.006.96ATOM419CBALA27123.42932.85084.4901.0012.05ATOM420CALA27122.78131.39086.4361.008.72ATOM421OALA27121.60731.00786.3001.008.81ATOM422NVAL27223.28331.63487.6401.009.04ATOM424CAVAL27222.45231.52388.8521.0010.61ATOM425CBVAL27222.90630.30589.7701.0012.04ATOM426CG1VAL27222.05830.20691.0131.0010.75ATOM427CG2VAL27222.79128.96588.9871.008.55ATOM428CVAL27222.58632.86689.6241.0013.45ATOM429OVAL27223.72033.33489.9011.0014.83ATOM430NLYS27321.45233.53589.8541.0012.70ATOM432CALYS27321.40934.80190.6181.0012.28ATOM433CBLYS27320.50835.82889.9211.0013.97ATOM434CGLYS27320.49237.20690.6061.0017.88ATOM435CDLYS27319.98138.24389.6111.0020.07ATOM436CELYS27319.34839.44090.3041.0019.77ATOM437NZLYS27318.86940.40189.2681.0018.18ATOM441CLYS27320.84034.42691.9591.008.80ATOM442OLYS27319.73333.85792.0301.0010.19ATOM443NSER27421.58534.68793.0220.656.09ATOM445CASER27421.16434.31994.3600.658.59ATOM446CBSER27422.25833.49095.0320.6510.55ATOM447OGSER27423.47034.23495.0630.6510.38ATOM449CSER27420.89135.53595.1980.6510.30ATOM450OSER27421.64936.49595.1870.655.65ATOM451NLEU27519.80435.46595.9671.0015.24ATOM453CALEU27519.38936.57396.8211.0017.33ATOM454CBLEU27517.86436.49097.0911.0017.49ATOM455CGLEU27517.23637.43098.1391.0019.44ATOM456CD1LEU27517.36938.89597.6881.0018.21ATOM457CD2LEU27515.73537.04598.3731.0019.11ATOM458CLEU27520.11836.56198.1491.0019.37ATOM459OLEU27520.13435.55998.8601.0021.32ATOM460NLYS27620.70737.69998.4961.0021.66ATOM462CALYS27621.37137.84999.7811.0023.47ATOM463CBLYS27622.25639.09799.8091.0022.50ATOM464CGLYS27622.80339.370101.1821.0025.85ATOM465CDLYS27623.76140.521101.1961.0030.61ATOM466CELYS27624.21540.799102.6161.0032.42ATOM467NZLYS27625.39641.724102.6231.0036.15ATOM471CLYS27620.24038.032100.7741.0022.87ATOM472OLYS27619.56239.024100.7441.0022.78ATOM473NALA27720.03537.047101.6371.0026.43ATOM475CAALA27718.96437.093102.6311.0029.92ATOM476CBALA27719.03135.875103.5601.0029.37ATOM477CALA27718.98438.383103.4491.0029.68ATOM478OALA27720.03538.841103.9081.0032.15ATOM479NGLY27817.80238.981103.5861.0029.88ATOM481CAGLY27817.64640.212104.3321.0027.48ATOM482CGLY27817.98341.489103.5711.0027.11ATOM483OGLY27817.64942.563104.0501.0026.26ATOM484NSER27918.62141.396102.3991.0024.86ATOM486CASER27918.97242.600101.6401.0022.90ATOM487CBSER27920.06842.286100.6301.0022.71ATOM488OGSER27919.61841.38799.6161.0020.28ATOM490CSER27917.78443.230100.9331.0023.27ATOM491OSER27917.78344.413100.5621.0023.91ATOM492NMET28016.76242.413100.7111.0021.45ATOM494CAMET28015.56142.865100.0341.0019.30ATOM495CBMET28015.81943.18198.5491.0020.90ATOM496CGMET28016.05441.97397.6201.0019.17ATOM497SDMET28016.46942.39095.8781.0021.32ATOM498CEMET28014.83442.65495.2021.0016.33ATOM499CMET28014.51441.760100.1921.0019.63ATOM500OMET28014.78340.649100.6861.0018.67ATOM501NSER28113.29042.11199.8501.0016.87ATOM503CASER28112.18141.20599.9531.0017.53ATOM504CBSER28110.90241.99599.6041.0018.68ATOM505OGSER2819.84041.14499.2991.0016.36ATOM507CSER28112.30440.00699.0101.0013.43ATOM508OSER28112.60240.17997.8141.0016.07ATOM509NPRO28212.05238.79199.5180.5110.91ATOM510CDPRO28211.93438.421100.9390.5110.92ATOM511CAPRO28212.13137.60198.6740.5110.05ATOM512CBPRO28211.79136.46099.6460.519.74ATOM513CGPRO28212.32136.934100.9220.5110.72ATOM514CPRO28211.07937.74297.5670.519.74ATOM515OPRO28211.30637.35596.4240.515.34ATOM516NASP2839.92938.33997.9131.0012.36ATOM518CAASP2838.87238.56696.9091.0012.64ATOM519CBASP2837.59739.11197.5361.0014.44ATOM520CGASP2836.48639.28496.4981.0019.62ATOM521OD1ASP2836.15938.28595.8311.0020.34ATOM522OD2ASP2835.95140.39896.2941.0017.83ATOM523CASP2839.33839.54695.8391.0011.41ATOM524OASP2839.03839.40294.6641.0010.24ATOM525NALA28410.07140.57996.2441.0011.86ATOM527CAALA28410.58341.56395.2691.0011.50ATOM528CBALA28411.30242.72996.0231.0014.90ATOM529CALA28411.59940.85694.3651.009.71ATOM530OALA28411.61641.00193.1601.0012.77ATOM531NPHE28512.48240.08194.9681.0012.36ATOM533CAPHE28513.49739.36394.1701.0011.93ATOM534CBPHE28514.40038.56095.1071.0012.00ATOM535CGPHE28515.47037.76694.3981.0011.48ATOM536CD1PHE28516.65838.37294.0291.0011.61ATOM537CD2PHE28515.30636.36694.1881.0012.64ATOM538CE1PHE28517.72337.60393.4691.0015.09ATOM539CE2PHE28516.34235.58293.6341.0011.94ATOM540CZPHE28517.55036.19393.2721.0013.87ATOM541CPHE28512.86138.44093.1131.0012.72ATOM542OPHE28513.18738.50291.9371.0013.64ATOM543NLEU28611.88937.63193.5311.0012.47ATOM545CALEU28611.23936.69792.6311.0013.16ATOM546CBLEU28610.45235.65593.4391.0010.98ATOM547CGLEU28611.40634.70594.1891.0011.81ATOM548CD1LEU28610.68633.90695.2891.0011.78ATOM549CD2LEU28612.07433.77993.1681.0011.79ATOM550CLEU28610.37337.33591.5491.0013.30ATOM551OLEU28610.09936.72190.5011.0013.69ATOM552NALA2879.98038.59591.7531.0014.22ATOM554CAALA2879.16439.27590.7441.0012.79ATOM555CBALA2878.74740.71691.2271.0014.01ATOM556CALA2879.87739.32789.4131.0012.05ATOM557OALA2879.26339.23688.3751.0014.50ATOM558NGLU28811.21139.36789.4371.0013.61ATOM560CAGLU28811.98939.38388.2001.0012.81ATOM561CBGLU28813.48639.46088.5261.0013.21ATOM562CGGLU28814.42439.43087.3101.0016.97ATOM563CDGLU28815.90939.76487.6551.0018.73ATOM564OE1GLU28816.27939.83588.8241.0020.30ATOM565OE2GLU28816.73539.93486.7411.0021.91ATOM566CGLU28811.73238.07587.4391.0011.20ATOM567OGLU28811.42438.06386.2631.0011.74ATOM568NALA28911.81336.96288.1691.0010.96ATOM570CAALA28911.59735.63387.5661.009.73ATOM571CBALA28911.87234.54288.6031.008.45ATOM572CALA28910.16635.53087.0331.008.84ATOM573OALA2899.93435.05285.9141.009.57ATOM574NASN2909.19835.99987.8271.0010.45ATOM576CAASN2907.80035.95387.4041.0014.12ATOM577CBASN2906.87636.48888.5201.0016.66ATOM578CGASN2906.76235.51389.7121.0021.59ATOM579OD1ASN2906.54135.92690.8561.0023.55ATOM580ND2ASN2906.90534.21989.4401.0022.69ATOM583CASN2907.58436.72686.0851.0014.97ATOM584OASN2906.78936.32085.2221.0013.37ATOM585NLEU2918.28537.85485.9281.0017.47ATOM587CALEU2918.19938.64884.6971.0017.29ATOM588CBLEU2919.00339.97184.8211.0020.19ATOM589CGLEU2918.47241.39285.1791.0024.74ATOM590CD1LEU2916.99741.52184.8891.0022.61ATOM591CD2LEU2918.80641.81086.6441.0022.09ATOM592CLEU2918.77837.81783.5171.0016.73ATOM593OLEU2918.22137.80382.4171.0015.61ATOM594NMET2929.93937.17983.7301.0013.77ATOM596CAMET29210.59036.38182.6751.0013.57ATOM597CBMET29211.96635.89683.1171.0013.10ATOM598CGMET29212.90937.04483.4301.0014.50ATOM599SDMET29214.43936.55084.1641.0015.15ATOM600CEMET29215.20235.87282.7751.009.75ATOM601CMET2929.71435.22882.1781.0014.48ATOM602OMET2929.80334.85481.0311.0014.30ATOM603NLYS2938.86634.68683.0581.0015.91ATOM605CALYS2937.90233.66082.6701.0019.35ATOM606CBLYS2937.01333.26983.8591.0018.02ATOM607CGLYS2937.72132.50884.9661.0019.31ATOM608CDLYS2936.81332.32486.1971.0021.14ATOM609CELYS2937.61031.74987.3831.0023.15ATOM610NZLYS2936.77031.52488.6231.0023.01ATOM614CLYS2936.97834.18081.5471.0020.23ATOM615OLYS2936.64333.44480.6471.0022.05ATOM616NGLN2946.63935.47181.5711.0022.80ATOM618CAGLN2945.73436.08680.5631.0023.80ATOM619CBGLN2944.93237.22681.1881.0023.71ATOM620CGGLN2944.11536.88082.4101.0025.12ATOM621CDGLN2943.13735.73382.1831.0025.84ATOM622OE1GLN2942.56435.56381.0871.0027.13ATOM623NE2GLN2942.90834.96283.2321.0025.33ATOM626CGLN2946.41336.68879.3331.0024.50ATOM627OGLN2945.75537.27978.4431.0024.11ATOM628NLEU2957.73836.61879.3061.0021.49ATOM630CALEU2958.48737.19778.2191.0019.69ATOM631CBLEU2959.19238.47578.7111.0019.08ATOM632CGLEU2958.30839.67378.9941.0018.05ATOM633CD1LEU2959.09140.76679.7041.0020.60ATOM634CD2LEU2957.79040.12777.6571.0016.99ATOM635CLEU2959.50036.22077.7091.0018.25ATOM636OLEU29510.69836.33877.9751.0019.62ATOM637NGLN2969.03535.26076.9281.0017.39ATOM639CAGLN2969.95134.25076.4161.0018.14ATOM640CBGLN2969.42032.83276.7001.0015.45ATOM641CGGLN2969.28832.53978.1791.0019.02ATOM642CDGLN2968.79431.11578.4131.0020.14ATOM643OE1GLN2969.20630.19977.7251.0022.06ATOM644NE2GLN2967.91230.94279.3611.0020.10ATOM647CGLN29610.11834.45274.9431.0015.64ATOM648OGLN2969.15034.45874.2151.0015.34ATOM649NHIS29711.37234.55174.5091.0014.27ATOM651CAHIS29711.68834.76573.1011.0011.92ATOM652CBHIS29711.37036.22572.7531.0010.95ATOM653CGHIS29711.49536.54671.2971.0010.37ATOM654CD2HIS29710.55636.62470.3191.0012.15ATOM655ND1HIS29712.69536.84270.6951.0011.35ATOM657CE1HIS29712.50137.09769.4091.0013.18ATOM658NE2HIS29711.20436.96369.1581.0011.54ATOM660CHIS29713.17334.49872.9281.0011.34ATOM661OHIS29713.93334.71773.8841.009.90ATOM662NGLN29813.60434.11371.7161.0011.48ATOM664CAGLN29815.03633.84171.4391.0012.13ATOM665CBGLN29815.28933.47969.9631.0013.49ATOM666CGGLN29814.90632.11269.5001.0015.33ATOM667CDGLN29815.69630.95770.1481.0015.54ATOM668OE1GLN29816.99530.91770.1991.0016.95ATOM669NE2GLN29814.94929.99470.6101.0012.02ATOM672CGLN29815.95635.03971.7431.0011.32ATOM673OGLN29817.11934.89172.0781.0011.14ATOM674NARG29915.41236.24571.6411.0010.16ATOM676CAARG29916.19437.45471.8831.009.08ATOM677CBARG29915.73838.56070.9161.008.03ATOM678CGARG29915.81438.21169.4311.003.63ATOM679CDARG29917.16238.55768.8071.003.23ATOM680NEARG29918.32137.99269.5201.006.82ATOM682CZARG29918.78836.75869.3701.008.67ATOM683NH1ARG29918.17435.91268.5561.008.24ATOM686NH2ARG29919.91036.39070.0071.008.32ATOM689CARG29916.18137.98673.3101.007.13ATOM690OARG29916.64339.07973.5491.009.74ATOM691NLEU30015.56137.26974.2421.006.11ATOM693CALEU30015.52237.66575.6291.006.01ATOM694CBLEU30014.06937.89076.1541.007.06ATOM695CGLEU30013.32339.21175.8131.007.90ATOM696CD1LEU30013.41339.50874.3221.004.75ATOM697CD2LEU30011.82739.10276.2651.007.42ATOM698CLEU30016.14236.50676.4061.008.93ATOM699OLEU30015.84835.33876.1021.006.41ATOM700NVAL30116.96636.84177.4101.006.55ATOM702CAVAL30117.61935.85578.2451.008.81ATOM703CBVAL30118.53936.53179.2881.008.90ATOM704CG1VAL30119.12435.51980.2951.0012.65ATOM705CG2VAL30119.71137.18578.5201.009.85ATOM706CVAL30116.49535.00978.8201.009.15ATOM707OVAL30115.51135.52079.3761.008.93ATOM708NARG30216.64633.69078.6811.008.85ATOM710CAARG30215.57332.76879.1191.0010.40ATOM711CBARG30215.53631.58278.1431.0012.40ATOM712CGARG30214.16430.94177.9701.0023.68ATOM713CDARG30214.14029.71478.7541.0030.77ATOM714NEARG30213.44428.62578.0731.0038.30ATOM716CZARG30213.39327.38578.5421.0040.51ATOM717NH1ARG30213.99627.09679.6961.0039.82ATOM720NH2ARG30212.75226.44777.8551.0041.42ATOM723CARG30215.58032.27080.5381.008.42ATOM724OARG30216.60731.79881.0601.007.98ATOM725NLEU30314.42232.33481.2001.005.71ATOM727CALEU30314.34931.80382.5631.008.28ATOM728CBLEU30313.02532.16383.1941.006.95ATOM729CGLEU30312.80831.60884.5951.008.61ATOM730CD1LEU30313.81232.22085.5291.005.11ATOM731CD2LEU30311.35531.90385.0561.007.06ATOM732CLEU30314.37330.25482.4461.0010.39ATOM733OLEU30313.82229.69481.5161.009.86ATOM734NTYR30415.12129.59283.3131.0011.01ATOM736CATYR30415.17328.12883.2881.0012.82ATOM737CBTYR30416.60327.63483.3711.0013.79ATOM738CGTYR30417.40527.75482.1361.0012.77ATOM739CD1TYR30416.85928.29180.9691.0010.38ATOM740CE1TYR30417.58528.34779.8311.0012.06ATOM741CD2TYR30418.71927.28482.1161.0011.93ATOM742CE2TYR30419.47227.32280.9751.0013.56ATOM743CZTYR30418.90527.84979.8181.0012.06ATOM744OHTYR30419.61327.78978.6411.0011.27ATOM746CTYR30414.46727.54884.5101.0012.51ATOM747OTYR30413.69826.60184.3971.0013.97ATOM748NALA30514.75628.10685.6871.0010.67ATOM750CAALA30514.18527.57986.9291.0011.01ATOM751CBALA30514.91826.25787.3001.008.23ATOM752CALA30514.33528.54888.0861.009.42ATOM753OALA30514.99929.57687.9751.009.68ATOM754NVAL30613.76428.16089.2160.758.59ATOM756CAVAL30613.84028.90290.4740.758.69ATOM757CBVAL30612.56629.77090.7400.759.62ATOM758CG1VAL30612.43130.82789.6660.7510.69ATOM759CG2VAL30611.26128.88390.8000.759.31ATOM760CVAL30613.93027.92091.6330.7510.26ATOM761OVAL30613.48226.78591.5100.757.84ATOM762NVAL30714.60828.33792.7101.0012.30ATOM764CAVAL30714.67027.58293.9601.0014.51ATOM765CBVAL30716.11527.19694.4221.0013.59ATOM766CG1VAL30716.01926.52995.8171.0014.23ATOM767CG2VAL30716.77226.22493.4341.0011.32ATOM768CVAL30714.09228.64594.9101.0017.91ATOM769OVAL30714.71129.73995.1681.0015.90ATOM770NTHR30812.87028.40095.3641.0019.17ATOM772CATHR30812.17629.38096.2051.0022.29ATOM773CBTHR30810.64529.48595.8511.0022.71ATOM774OG1THR30810.05728.18895.7491.0021.78ATOM776CG2THR30810.46230.18694.5181.0023.24ATOM777CTHR30812.37729.33997.7071.0024.69ATOM778OTHR30811.68130.03398.4521.0025.07ATOM779NALA30913.30428.49998.1621.0026.35ATOM781CAALA30913.61728.42499.5801.0027.81ATOM782CBALA30913.67326.977100.0491.0029.53ATOM783CALA30914.97829.10599.7191.0028.47ATOM784OALA30915.82229.05098.8001.0026.56ATOM785NGLU31015.20429.755100.8621.0028.30ATOM787CAGLU31016.45730.481101.0961.0028.80ATOM788CBGLU31016.30831.391102.3241.0029.80ATOM789CGGLU31015.34532.549102.0451.0033.60ATOM790CDGLU31014.91533.346103.2691.0035.54ATOM791OE1GLU31015.28932.988104.4131.0037.41ATOM792OE2GLU31014.15034.315103.0801.0036.45ATOM793CGLU31017.74829.655101.1571.0028.31ATOM794OGLU31017.81028.605101.7941.0030.35ATOM795NPRO31118.81130.121100.4861.0026.38ATOM796CDPRO31120.16229.534100.6471.0026.11ATOM797CAPRO31118.85331.35199.6881.0023.53ATOM798CBPRO31120.36331.61099.5031.0024.89ATOM799CGPRO31120.96730.22199.5651.0026.08ATOM800CPRO31118.15431.13298.3601.0021.13ATOM801OPRO31118.37830.16597.6731.0018.55ATOM802NILE31217.31232.08698.0031.0019.48ATOM804CAILE31216.53332.02496.7771.0016.72ATOM805CBILE31215.44033.12696.8511.0017.73ATOM806CG2ILE31214.60833.12995.5951.0015.57ATOM807CG1ILE31214.59032.86798.1111.0018.07ATOM808CD1ILE31213.36333.69998.2381.0023.33ATOM809CILE31217.38132.16795.5241.0015.13ATOM810OILE31218.29032.98795.4541.0014.05ATOM811NTYR31317.13231.31194.5431.0014.30ATOM813CATYR31317.87531.38293.2781.0013.21ATOM814CBTYR31318.62130.06992.9761.0012.11ATOM815CGTYR31319.76229.64193.8971.0015.64ATOM816CD1TYR31320.38130.52394.7591.0013.64ATOM817CE1TYR31321.46630.12695.5211.0016.99ATOM818CD2TYR31320.25328.34093.8351.0016.93ATOM819CE2TYR31321.33627.93994.5911.0018.03ATOM820CZTYR31321.94028.82495.4211.0017.94ATOM821OHTYR31323.05728.41696.1011.0019.83ATOM823CTYR31316.95731.57592.0861.0011.00ATOM824OTYR31315.88731.02092.0431.0012.08ATOM825NILE31417.47532.25191.0620.829.52ATOM827CAILE31416.80332.42089.7610.828.77ATOM828CBILE31416.52033.90289.3930.828.15ATOM829CG2ILE31415.92334.01387.9750.826.94ATOM830CG1ILE31415.52634.50590.3820.828.58ATOM831CD1ILE31415.30436.03190.1820.828.14ATOM832CILE31417.86031.86988.8070.825.81ATOM833OILE31419.01832.29988.8020.824.52ATOM834NILE31517.48530.85888.0411.008.34ATOM836CAILE31518.41030.18287.1271.008.77ATOM837CBILE31518.39328.64687.3691.0012.61ATOM838CG2ILE31519.32327.93286.3551.008.22ATOM839CG1ILE31518.81128.34188.8321.0011.62ATOM840CD1ILE31517.65928.14789.7751.0011.79ATOM841CILE31518.04530.50885.7071.008.39ATOM842OILE31516.88530.33885.3181.006.04ATOM843NTHR31619.02130.98684.9131.005.83ATOM845CATHR31618.69931.37883.5471.008.36ATOM846CBTHR31618.75032.95483.3441.009.42ATOM847OG1THR31620.12533.39083.4231.008.78ATOM849CG2THR31617.94333.73684.4021.005.91ATOM850CTHR31619.72330.85682.5571.008.42ATOM851OTHR31620.76430.28482.9131.008.32ATOM852NGLU31719.40431.11281.2931.008.36ATOM854CAGLU31720.26330.84780.1501.008.92ATOM855CBGLU31719.58531.51678.9511.008.49ATOM856CGGLU31720.29531.42877.6091.006.91ATOM857CDGLU31719.39031.85676.4631.0011.13ATOM858OE1GLU31718.45832.64176.7281.0011.40ATOM859OE2GLU31719.61431.44975.2871.009.16ATOM860CGLU31721.62031.56380.4291.009.37ATOM861OGLU31721.67032.70280.9561.007.89ATOM862NTYR31822.71730.88580.1341.009.26ATOM864CATYR31824.04931.44180.3771.009.46ATOM865CBTYR31825.00830.34080.8281.0010.67ATOM866CGTYR31826.39830.87081.1201.0013.70ATOM867CD1TYR31826.61631.65882.2291.0013.98ATOM868CE1TYR31827.86432.13082.5291.0018.18ATOM869CD2TYR31827.48730.56480.2911.0014.21ATOM870CE2TYR31828.76431.04980.5921.0014.28ATOM871CZTYR31828.93331.82281.7101.0015.79ATOM872OHTYR31830.16132.31182.0661.0019.16ATOM874CTYR31824.56132.13279.1101.009.19ATOM875OTYR31824.48031.58878.0101.009.33ATOM876NMET31924.97833.39079.2431.008.48ATOM878CAMET31925.45334.14778.0661.009.42ATOM879CBMET31924.78735.52478.0461.0010.85ATOM880CGMET31923.23735.42377.9461.0011.71ATOM881SDMET31922.75034.62976.4111.0013.99ATOM882CEMET31923.25435.84475.2271.008.87ATOM883CMET31926.96834.25478.2501.009.69ATOM884OMET31927.46235.03179.0871.007.90ATOM885NGLU32027.68433.49377.4351.006.36ATOM887CAGLU32029.13533.34277.5401.0010.55ATOM888CBGLU32029.64232.30376.5081.0011.97ATOM889CGGLU32031.14631.90676.6521.0020.65ATOM890CDGLU32031.48531.22277.9831.0024.26ATOM891OE1GLU32031.32729.98878.0681.0027.15ATOM892OE2GLU32031.92231.91578.9441.0028.40ATOM893CGLU32030.00534.58877.5241.0011.16ATOM894OGLU32031.03134.63978.2131.0012.37ATOM895NASN32129.62835.55576.6951.0011.28ATOM897CAASN32130.37436.78276.5611.0011.02ATOM898CBASN32130.45137.23075.0931.0012.54ATOM899CGASN32131.52036.47474.3371.0013.58ATOM900OD1ASN32132.63836.33874.8331.0012.04ATOM901ND2ASN32131.17135.92173.1951.0011.91ATOM904CASN32129.91737.88777.4731.0011.39ATOM905OASN32130.35639.01477.3151.0012.51ATOM906NGLY32229.01737.53678.4031.008.41ATOM908CAGLY32228.52838.42179.4271.006.95ATOM909CGLY32227.90039.73378.9731.006.87ATOM910OGLY32227.25539.78577.9231.007.74ATOM911NSER32328.12540.79479.7310.432.00ATOM913CASER32327.53942.08679.3940.432.39ATOM914CBSER32327.63642.95680.6350.432.00ATOM915OGSER32327.15544.23080.4160.432.00ATOM917CSER32328.12242.78978.1470.434.13ATOM918OSER32329.33642.89177.9690.432.00ATOM919NLEU32427.23943.28777.2791.007.40ATOM921CALEU32427.65943.95976.0561.008.58ATOM922CBLEU32426.46044.46075.2641.007.55ATOM923CGLEU32426.75745.29474.0101.008.52ATOM924CD1LEU32427.41044.43472.9171.008.10ATOM925CD2LEU32425.38245.83973.4961.007.07ATOM926CLEU32428.58645.15176.3671.008.58ATOM927OLEU32429.54945.35275.6821.009.01ATOM928NVAL32528.26445.91777.3981.009.65ATOM930CAVAL32529.09147.04177.7631.0012.45ATOM931CBVAL32528.43347.87778.8961.0010.82ATOM932CG1VAL32528.70847.27480.3251.0010.26ATOM933CG2VAL32528.93149.33978.7731.0014.55ATOM934CVAL32530.53546.56778.0961.0014.06ATOM935OVAL32531.51747.23577.7201.0015.13ATOM936NASP32630.67345.38778.7181.0012.37ATOM938CAASP32632.01644.85379.0261.0011.79ATOM939CBASP32632.00043.83780.1731.0012.18ATOM940CGASP32631.53544.41181.4531.0015.66ATOM941OD1ASP32631.85245.57181.7441.0017.87ATOM942OD2ASP32630.85843.68582.2121.0015.29ATOM943CASP32632.63744.16377.8141.009.96ATOM944OASP32633.83144.31977.5051.0011.59ATOM945NPHE32731.82443.43277.0711.009.51ATOM947CAPHE32732.31642.70175.9161.009.01ATOM948CBPHE32731.21441.83575.3091.008.68ATOM949CGPHE32731.61241.23173.9751.0012.74ATOM950CD1PHE32732.50540.14473.9261.009.77ATOM951CD2PHE32731.16341.78272.7801.009.21ATOM952CE1PHE32732.93639.62872.7311.009.36ATOM953CE2PHE32731.58641.28371.5571.0012.46ATOM954CZPHE32732.50040.17771.5271.0013.61ATOM955CPHE32732.92643.61474.8051.009.16ATOM956OPHE32733.91743.26874.1581.006.44ATOM957NLEU32832.33344.79374.6020.403.00ATOM959CALEU32832.80645.69973.5660.403.56ATOM960CBLEU32831.80446.85373.4180.402.90ATOM961CGLEU32830.74646.91572.3010.402.00ATOM962CD1LEU32830.55945.66971.5330.402.00ATOM963CD2LEU32829.47247.45072.8870.403.15ATOM964CLEU32834.22046.26273.8190.404.10ATOM965OLEU32834.88646.78572.9350.402.00ATOM966NLYS32934.64046.17275.0691.008.38ATOM968CALYS32935.94746.66275.5371.0012.01ATOM969CBLYS32935.81047.19276.9631.0011.97ATOM970CGLYS32934.92648.43177.0721.0011.78ATOM971CDLYS32934.77448.86878.5191.009.98ATOM972CELYS32933.65249.91778.6351.0013.45ATOM973NZLYS32933.46050.30780.0621.0015.31ATOM977CLYS32937.04945.60875.4861.0014.87ATOM978OLYS32938.23545.94075.6211.0016.51ATOM979NTHR33036.67044.34975.2541.0013.19ATOM981CATHR33037.64943.25075.1981.0011.60ATOM982CBTHR33036.94241.85675.3421.007.69ATOM983OG1THR33036.04541.65474.2601.005.64ATOM985CG2THR33036.17341.73776.6011.008.84ATOM986CTHR33038.31143.27373.8031.0012.19ATOM987OTHR33037.80843.89772.8631.0015.01ATOM988NPRO33139.42942.54273.6281.0013.69ATOM989CDPRO33140.23541.84274.6561.0013.18ATOM990CAPRO33140.09742.51272.3231.0013.57ATOM991CBPRO33141.24741.52272.5621.0012.36ATOM992CGPRO33141.59841.77173.9791.0012.02ATOM993CPRO33139.14342.04671.1971.0014.37ATOM994OPRO33139.22342.51770.0631.0015.73ATOM995NSER33238.23841.10871.4881.0013.66ATOM997CASER33237.31040.65570.4311.0015.74ATOM998CBSER33236.53239.39170.8631.0014.92ATOM999OGSER33237.43338.32571.1431.0020.31ATOM1001CSER33236.31141.74670.0531.0014.88ATOM1002OSER33236.03841.96068.8811.0017.21ATOM1003NGLY33335.72642.38971.0591.0014.09ATOM1005CAGLY33334.76343.45770.8181.0015.72ATOM1006CGLY33335.39344.61370.0331.0015.81ATOM1007OGLY33334.79445.12269.0891.0015.33ATOM1008NILE33436.60845.00470.4141.0016.19ATOM1010CAILE33437.34046.09669.7461.0016.93ATOM1011CBILE33438.71846.32670.4301.0018.36ATOM1012CG2ILE33439.58447.31969.6061.0019.31ATOM1013CG1ILE33438.47646.83271.8551.0018.58ATOM1014CD1ILE33439.75046.93172.7141.0021.36ATOM1015CILE33437.52845.87868.2591.0017.57ATOM1016OILE33437.46946.79867.4741.0018.66ATOM1017NLYS33537.75244.64067.8501.0019.23ATOM1019CALYS33537.93644.35066.4461.0019.72ATOM1020CBLYS33538.74543.07666.3051.0023.00ATOM1021CGLYS33540.10743.20466.9631.0027.33ATOM1022CDLYS33540.69241.87267.2701.0030.63ATOM1023CELYS33541.87342.04068.1821.0031.48ATOM1024NZLYS33542.29240.72368.5921.0031.57ATOM1028CLYS33536.62844.24265.6281.0018.64ATOM1029OLYS33536.65544.08064.4171.0016.73ATOM1030NLEU33635.48044.41066.2691.0016.82ATOM1032CALEU33634.21044.29765.5201.0015.13ATOM1033CBLEU33633.01544.29166.4701.0015.27ATOM1034CGLEU33632.91243.12367.4841.0018.77ATOM1035CD1LEU33631.58043.18368.2251.0017.54ATOM1036CD2LEU33633.07041.76166.8121.0013.51ATOM1037CLEU33634.04545.42864.5221.0016.15ATOM1038OLEU33634.29346.56664.8581.0017.28ATOM1039NTHR33733.59545.10363.3011.0017.02ATOM1041CATHR33733.37546.09562.2601.0017.40ATOM1042CBTHR33733.28045.44960.9011.0017.62ATOM1043OG1THR33732.19744.48160.8931.0019.04ATOM1045CG2THR33734.63844.73660.5591.0021.95ATOM1046CTHR33732.05646.82762.5151.0016.83ATOM1047OTHR33731.18546.33463.2891.0015.94ATOM1048NILE33831.87347.97561.8591.0014.47ATOM1050CAILE33830.62848.71562.0421.0013.03ATOM1051CBILE33830.57950.04761.2461.0012.67ATOM1052CG2ILE33830.81249.77959.7451.0013.10ATOM1053CG1ILE33829.24850.76161.5611.0011.18ATOM1054CD1ILE33829.07451.05463.1011.009.52ATOM1055CILE33829.45647.82061.6241.0011.79ATOM1056OILE33828.40047.87262.2081.0011.62ATOM1057NASN33929.70346.94060.6471.0011.95ATOM1059CAASN33928.69746.00460.1401.0014.07ATOM1060CBASN33929.29345.19258.9631.0017.39ATOM1061CGASN33928.39144.04358.5101.0024.54ATOM1062OD1ASN33928.66042.86058.8261.0026.23ATOM1063ND2ASN33927.32844.36557.7611.0023.79ATOM1066CASN33928.15545.08761.2401.0012.19ATOM1067OASN33926.92944.93661.4241.009.91ATOM1068NLYS34029.06544.51562.0281.0010.14ATOM1070CALYS34028.66043.62363.0901.008.13ATOM1071CBLYS34029.84142.73863.5221.008.27ATOM1072CGLYS34029.55941.84964.7491.005.54ATOM1073CDLYS34028.49240.79864.4481.007.28ATOM1074CELYS34028.11439.99565.7211.007.51ATOM1075NZLYS34027.01939.00065.3491.0010.96ATOM1079CLYS34028.03044.41064.2601.007.62ATOM1080OLYS34027.11643.94764.9431.007.08ATOM1081NLEU34128.46145.64464.4771.006.47ATOM1083CALEU34127.84546.43565.5691.005.96ATOM1084CBLEU34128.62147.72765.8621.004.03ATOM1085CGLEU34130.10947.50766.2941.007.36ATOM1086CD1LEU34130.82648.85566.3231.006.06ATOM1087CD2LEU34130.21746.83667.6741.007.12ATOM1088CLEU34126.40046.77065.2021.003.96ATOM1089OLEU34125.52946.84466.0821.006.11ATOM1090NLEU34226.15647.00463.9201.006.18ATOM1092CALEU34224.81547.31063.4191.007.59ATOM1093CBLEU34224.88547.75561.9561.008.88ATOM1094CGLEU34225.48449.18061.7971.0011.62ATOM1095CD1LEU34225.82349.43060.3121.0010.17ATOM1096CD2LEU34224.49350.26862.3731.007.90ATOM1097CLEU34223.90946.08063.5371.007.74ATOM1098OLEU34222.68646.17263.7641.008.65ATOM1099NASP34324.50544.93663.2381.009.65ATOM1101CAASP34323.82343.62163.3121.008.35ATOM1102CBASP34324.86042.51062.9471.007.51ATOM1103CGASP34324.38741.11663.3081.0010.12ATOM1104OD1ASP34323.16640.92963.4831.008.76ATOM1105OD2ASP34325.23440.20663.3681.0010.74ATOM1106CASP34323.33343.50064.7631.007.81ATOM1107OASP34322.13443.42065.0221.008.47ATOM1108NMET34424.25943.57265.7101.008.09ATOM1110CAMET34423.91943.52567.1331.0010.16ATOM1111CBMET34425.16843.77567.9971.0010.84ATOM1112CGMET34426.22442.68567.7961.0015.39ATOM1113SDMET34427.74643.04268.6671.0020.54ATOM1114CEMET34427.50442.22170.0521.0013.40ATOM1115CMET34422.84444.54467.5031.008.86ATOM1116OMET34421.95744.22568.2651.007.44ATOM1117NALA34523.00645.80867.0871.007.26ATOM1119CAALA34521.95946.82867.3801.005.67ATOM1120CBALA34522.29048.13666.6811.004.54ATOM1121CALA34520.59046.30966.8891.005.23ATOM1122OALA34519.58946.44567.5871.003.90ATOM1123NALA34620.54545.78365.6621.005.10ATOM1125CAALA34619.30545.23865.1191.007.13ATOM1126CBALA34619.45944.81063.6561.008.22ATOM1127CALA34618.76644.07965.9741.007.97ATOM1128OALA34617.52943.99366.1871.008.44ATOM1129NGLN34719.64343.17066.4511.008.27ATOM1131CAGLN34719.20242.06267.3301.008.51ATOM1132CBGLN34720.36741.16967.7631.005.95ATOM1133CGGLN34721.08140.52166.5471.006.80ATOM1134CDGLN34722.11839.50066.9331.005.32ATOM1135OE1GLN34722.06438.96668.0191.007.59ATOM1136NE2GLN34723.05739.19666.0161.008.42ATOM1139CGLN34718.52242.62368.5661.008.39ATOM1140OGLN34717.47742.13169.0081.009.27ATOM1141NILE34819.09943.67669.1331.005.65ATOM1143CAILE34818.50244.27870.3271.007.21ATOM1144CBILE34819.44045.35170.9661.005.99ATOM1145CG2ILE34818.82045.94272.2621.006.69ATOM1146CG1ILE34820.76144.62871.4111.009.42ATOM1147CD1ILE34821.92145.56971.5861.0011.33ATOM1148CILE34817.13144.88070.0281.005.07ATOM1149OILE34816.24744.76770.8561.004.61ATOM1150NALA34916.99445.53868.8651.007.16ATOM1152CAALA34915.72446.20668.4931.009.08ATOM1153CBALA34915.87147.04167.2161.006.01ATOM1154CALA34914.68745.08768.2741.009.02ATOM1155OALA34913.52345.23168.5951.004.41ATOM1156NGLU35015.17943.95467.7741.007.05ATOM1158CAGLU35014.33942.77867.5271.008.60ATOM1159CBGLU35015.14341.69266.7941.009.61ATOM1160CGGLU35014.35340.38866.5631.0012.76ATOM1161CDGLU35015.11739.37465.7031.0014.23ATOM1162OE1GLU35016.12139.72165.0281.0011.84ATOM1163OE2GLU35014.64938.23465.6551.0015.86ATOM1164CGLU35013.77342.27068.8391.007.48ATOM1165OGLU35012.56442.00468.9561.008.86ATOM1166NGLY35114.61642.18569.8531.005.37ATOM1168CAGLY35114.18341.75771.1731.005.89ATOM1169CGLY35113.19642.77771.7651.007.42ATOM1170OGLY35112.14942.41472.3681.006.11ATOM1171NMET35213.52244.05571.6281.004.75ATOM1173CAMET35212.61745.11372.1221.006.41ATOM1174CBMET35213.28746.49072.1111.005.29ATOM1175CGMET35214.42646.62973.1781.006.68ATOM1176SDMET35213.96046.32274.8541.009.97ATOM1177CEMET35212.60447.51775.1271.009.15ATOM1178CMET35211.29045.17371.3321.007.01ATOM1179OMET35210.29245.58371.9061.008.77ATOM1180NALA35311.26344.73870.0641.008.07ATOM1182CAALA35310.02044.73869.2791.005.88ATOM1183CBALA35310.29144.49167.8281.007.39ATOM1184CALA3539.09043.64669.8401.009.76ATOM1185OALA3537.86943.78869.8231.007.82ATOM1186NPHE3549.66942.55170.3621.009.39ATOM1188CAPHE3548.85341.48170.9781.009.75ATOM1189CBPHE3549.69340.22771.2991.008.22ATOM1190CGPHE3548.97439.22372.2181.009.88ATOM1191CD1PHE3547.91238.44171.7381.0012.19ATOM1192CD2PHE3549.31139.11973.5471.0010.85ATOM1193CE1PHE3547.20237.56672.6171.009.37ATOM1194CE2PHE3548.60538.25474.4351.0012.35ATOM1195CZPHE3547.55837.48873.9531.0010.17ATOM1196CPHE3548.26142.03072.2841.006.25ATOM1197OPHE3547.09441.87472.5661.007.01ATOM1198NILE3559.09242.73973.0581.006.36ATOM1200CAILE3558.65943.34274.3311.008.20ATOM1201CBILE3559.86643.95875.0891.006.84ATOM1202CG2ILE3559.41844.82576.2691.008.30ATOM1203CG1ILE35510.75442.82275.5831.007.74ATOM1204CD1ILE35511.98343.27176.3101.005.93ATOM1205CILE3557.51244.34374.0941.006.49ATOM1206OILE3556.49044.31474.7501.006.90ATOM1207NGLU3567.71045.18073.0911.008.41ATOM1209CAGLU3566.76446.19072.6431.008.52ATOM1210CBGLU3567.40446.90671.4421.0010.94ATOM1211CGGLU3566.45447.66570.4791.0013.83ATOM1212CDGLU3567.25448.39269.3701.0013.44ATOM1213OE1GLU3567.84749.38769.7561.0014.28ATOM1214OE2GLU3567.32547.96868.1471.0015.54ATOM1215CGLU3565.43045.50372.2391.009.09ATOM1216OGLU3564.34645.88472.6961.007.12ATOM1217NGLU3575.51944.44271.4460.362.80ATOM1219CAGLU3574.32643.72571.0210.363.40ATOM1220CBGLU3574.69542.73069.8940.362.45ATOM1221CGGLU3573.55341.91769.3250.364.19ATOM1222CDGLU3573.24640.69970.1680.366.13ATOM1223OE1GLU3574.12640.26970.9460.366.48ATOM1224OE2GLU3572.12540.15470.0840.3610.01ATOM1225CGLU3573.53343.06772.1690.364.04ATOM1226OGLU3572.30843.00672.1260.362.00ATOM1227NARG3584.22742.63273.2251.007.81ATOM1229CAARG3583.57641.99174.3841.009.23ATOM1230CBARG3584.55341.05375.1461.0010.13ATOM1231CGARG3585.07239.85874.3361.0012.15ATOM1232CDARG3583.92639.05873.6201.0017.62ATOM1233NEARG3582.93638.57874.5651.0020.90ATOM1235CZARG3581.66738.27274.2621.0023.73ATOM1236NH1ARG3581.20538.38273.0271.0022.10ATOM1239NH2ARG3580.84937.87575.2161.0023.38ATOM1242CARG3582.98142.97275.3721.008.80ATOM1243OARG3582.49142.58276.4281.008.51ATOM1244NASN3593.06944.26575.0441.0011.15ATOM1246CAASN3592.55345.31875.9041.0011.08ATOM1247CBASN3591.08745.04076.2661.0012.23ATOM1248CGASN3590.16645.47475.1671.0013.91ATOM1249OD1ASN3590.62345.99774.1951.0015.68ATOM1250ND2ASN359−1.15545.28675.3401.0015.64ATOM1253CASN3593.38645.57177.1301.0011.57ATOM1254OASN3592.88946.06078.1491.009.73ATOM1255NTYR3604.67145.18577.0631.009.79ATOM1257CATYR3605.54645.42278.2041.009.21ATOM1258CBTYR3606.41944.18578.4921.0010.72ATOM1259CGTYR3605.73943.13579.3371.0012.72ATOM1260CD1TYR3606.01343.02680.6801.0014.34ATOM1261CE1TYR3605.38442.03081.4741.0016.48ATOM1262CD2TYR3604.82742.26278.7761.0014.33ATOM1263CE2TYR3604.20141.27579.5481.0016.68ATOM1264CZTYR3604.48541.17480.8881.0015.37ATOM1265OHTYR3603.88340.19881.6371.0018.48ATOM1267CTYR3606.49746.57777.9191.007.60ATOM1268OTYR3606.60747.05876.8071.007.26ATOM1269NILE3617.16847.02678.9691.009.03ATOM1271CAILE3618.20348.03778.8121.009.74ATOM1272CBILE3617.83249.45979.3821.009.50ATOM1273CG2ILE3616.74450.16678.4881.0011.71ATOM1274CG1ILE3617.38649.36580.8281.0012.15ATOM1275CD1ILE3616.91050.68181.3741.0015.27ATOM1276CILE3619.33147.42479.6251.008.68ATOM1277OILE3619.09946.63780.5111.0010.97ATOM1278NHIS36210.54347.91379.4241.008.96ATOM1280CAHIS36211.69447.38880.1511.007.95ATOM1281CBHIS36212.80347.08479.0991.008.38ATOM1282CGHIS36214.00546.40579.6711.009.73ATOM1283CD2HIS36214.37745.10879.6551.007.39ATOM1284ND1HIS36214.96347.07080.4191.006.36ATOM1286CE1HIS36215.87446.20980.8251.009.86ATOM1287NE2HIS36215.53645.00380.3781.0010.13ATOM1289CHIS36212.15648.39481.2081.007.43ATOM1290OHIS36212.40448.03882.3721.007.91ATOM1291NARG36312.32449.65780.7941.008.44ATOM1293CAARG36312.76350.77681.6711.008.08ATOM1294CBARG36311.87650.93782.9191.009.73ATOM1295CGARG36310.38751.08282.5991.0013.47ATOM1296CDARG3639.58651.48483.8391.0013.85ATOM1297NEARG3639.68550.53884.9301.0013.20ATOM1299CZARG3639.72250.88886.2121.0015.35ATOM1300NH1ARG3639.67452.17186.5641.0014.95ATOM1303NH2ARG3639.73849.95687.1511.0014.46ATOM1306CARG36314.22350.79482.1121.009.76ATOM1307OARG36314.65051.73282.7911.009.55ATOM1308NASP36415.02649.83081.6651.009.49ATOM1310CAASP36416.45149.81182.0661.0010.04ATOM1311CBASP36416.63948.83683.2401.009.98ATOM1312CGASP36417.88849.14884.1071.0014.26ATOM1313OD1ASP36418.59450.15683.8891.0014.89ATOM1314OD2ASP36418.12948.39485.0621.0013.47ATOM1315CASP36417.26249.36880.8581.009.74ATOM1316OASP36418.19648.55480.9431.008.70ATOM1317NLEU36516.82549.82779.6891.007.97ATOM1319CALEU36517.48349.48578.4551.008.00ATOM1320CBLEU36516.56849.81177.2551.007.28ATOM1321CGLEU36517.07849.44675.8651.008.56ATOM1322CD1LEU36517.58247.98675.8221.0011.42ATOM1323CD2LEU36515.96049.61774.8491.0011.34ATOM1324CLEU36518.81850.27078.3401.0010.93ATOM1325OLEU36518.84051.49578.1371.0013.74ATOM1326NARG36619.92449.54478.4181.008.54ATOM1328CAARG36621.26450.12478.3201.0010.81ATOM1329CBARG36621.65850.81379.6381.0010.58ATOM1330CGARG36621.51649.93080.8441.0013.47ATOM1331CDARG36621.72550.74082.1381.0018.51ATOM1332NEARG36623.06851.31282.2331.0018.31ATOM1334CZARG36623.45952.09083.2341.0020.91ATOM1335NH1ARG36622.61052.39284.2081.0021.08ATOM1338NH2ARG36624.69652.55483.2791.0021.60ATOM1341CARG36622.19048.95178.0211.0011.69ATOM1342OARG36621.83847.81478.2891.006.35ATOM1343NALA36723.35549.24577.4391.009.93ATOM1345CAALA36724.32448.20577.0651.009.46ATOM1346CBALA36725.56948.85576.4781.008.97ATOM1347CALA36724.70747.24278.2031.009.81ATOM1348OALA36725.00146.03877.9681.0010.18ATOM1349NALA36824.67647.73779.4351.007.59ATOM1351CAALA36824.99246.89780.5701.009.89ATOM1352CBALA36824.92847.69481.8541.008.37ATOM1353CALA36823.97945.75280.6701.0011.64ATOM1354OALA36824.29344.62981.1801.008.73ATOM1355NASN36922.77146.03980.1981.007.92ATOM1357CAASN36921.68745.09180.3071.009.98ATOM1358CBASN36920.45345.80480.8941.007.16ATOM1359CGASN36920.65846.20482.3381.009.70ATOM1360OD1ASN36921.47245.57683.0791.009.63ATOM1361ND2ASN36919.95447.25182.7751.007.25ATOM1364CASN36921.38144.28579.0551.008.69ATOM1365OASN36920.26543.72378.9011.0010.46ATOM1366NILE37022.37444.22378.1621.007.57ATOM1368CAILE37022.29643.41176.9481.006.61ATOM1369CBILE37022.64844.18675.6461.004.56ATOM1370CG2ILE37022.64043.22474.4301.002.00ATOM1371CG1ILE37021.62145.31475.3691.003.78ATOM1372CD1ILE37020.04544.95475.5181.005.14ATOM1373CILE37023.38842.32777.1851.009.06ATOM1374OILE37024.53042.66077.6081.007.80ATOM1375NLEU37123.04341.04777.0241.008.95ATOM1377CALEU37124.06339.96477.2361.007.58ATOM1378CBLEU37123.56938.83578.1561.005.07ATOM1379CGLEU37123.22939.26079.5871.006.83ATOM1380CD1LEU37122.75338.05880.4501.009.45ATOM1381CD2LEU37124.46540.01080.2431.008.95ATOM1382CLEU37124.47039.42875.8821.007.66ATOM1383OLEU37123.70339.51074.9401.008.35ATOM1384NVAL37225.71738.95775.7801.007.21ATOM1386CAVAL37226.26338.47674.5281.009.26ATOM1387CBVAL37227.53639.26874.1501.0010.89ATOM1388CG1VAL37227.99638.83172.7541.008.47ATOM1389CG2VAL37227.27140.86674.2131.005.59ATOM1390CVAL37226.59436.97074.6601.007.83ATOM1391OVAL37227.18536.54875.6431.008.91ATOM1392NSER37326.20536.21873.6371.007.24ATOM1394CASER37326.38434.76073.5791.009.76ATOM1395CBSER37325.34234.10772.6601.005.50ATOM1396OGSER37325.74534.32271.3201.008.32ATOM1398CSER37327.74434.44672.9961.009.94ATOM1399OSER37328.46535.34072.4751.007.48ATOM1400NASP37428.09433.16573.0621.0010.41ATOM1402CAASP37429.37132.68672.5461.0012.58ATOM1403CBASP37429.57831.21472.9331.0016.92ATOM1404CGASP37428.61930.30772.2121.0021.38ATOM1405OD1ASP37427.40330.53572.3241.0022.32ATOM1406OD2ASP37429.07129.43471.4441.0027.84ATOM1407CASP37429.39732.86671.0161.0014.92ATOM1408OASP37430.46732.91970.4051.0013.69ATOM1409NTHR37528.22932.95470.3651.0012.20ATOM1411CATHR37528.23833.20268.9101.0011.93ATOM1412CBTHR37527.13032.43368.1621.0012.01ATOM1413OG1THR37525.85632.72168.7631.0011.68ATOM1415CG2THR37527.39730.92968.2111.0013.26ATOM1416CTHR37528.08434.69568.5691.0011.66ATOM1417OTHR37527.80135.06467.4301.0012.15ATOM1418NLEU37628.23335.56069.5651.0011.08ATOM1420CALEU37628.07237.01969.3521.0011.90ATOM1421CBLEU37629.14237.60968.3991.0011.87ATOM1422CGLEU37630.63137.27668.7291.0014.72ATOM1423CD1LEU37631.56338.23467.9341.0014.52ATOM1424CD2LEU37630.91837.37770.1981.0011.76ATOM1425CLEU37626.65037.41668.8891.0011.62ATOM1426OLEU37626.46538.17567.9291.0012.23ATOM1427NSER37725.65336.77869.4981.008.91ATOM1429CASER37724.28137.15269.2461.008.75ATOM1430CBSER37723.39535.93168.9441.006.43ATOM1431OGSER37723.39235.06170.0521.007.78ATOM1433CSER37723.94937.84770.5951.008.80ATOM1434OSER37724.57337.56571.6631.007.17ATOM1435NCYS37822.99738.78070.5531.008.01ATOM1437CACYS37822.63939.57071.7241.008.87ATOM1438CBCYS37822.71241.06471.3591.0011.38ATOM1439SGCYS37824.36141.65970.9141.0014.14ATOM1440CCYS37821.22739.27672.2181.008.65ATOM1441OCYS37820.33539.06271.4141.0010.46ATOM1442NLYS37921.05739.28673.5371.007.74ATOM1444CALYS37919.74839.09874.1881.009.78ATOM1445CBLYS37919.63537.71774.8451.005.83ATOM1446CGLYS37919.90736.61073.7961.007.52ATOM1447CDLYS37919.44135.25874.2031.005.35ATOM1448CELYS37919.82534.30973.0661.008.53ATOM1449NZLYS37919.12933.01473.1091.007.32ATOM1453CLYS37919.47040.16275.2441.008.89ATOM1454OLYS37920.36340.55176.0141.0010.66ATOM1455NILE38018.21040.58175.3371.007.78ATOM1457CAILE38017.80841.55876.3591.006.62ATOM1458CBILE38016.33442.06476.1481.005.67ATOM1459CG2ILE38015.98143.13177.2371.007.47ATOM1460CG1ILE38016.06542.54374.7191.008.91ATOM1461CD1ILE38017.11943.53574.1601.008.08ATOM1462CILE38017.82540.80377.7061.007.03ATOM1463OILE38017.41639.61977.7761.007.34ATOM1464NALA38118.23041.49378.7841.006.85ATOM1466CAALA38118.32940.93280.1121.008.40ATOM1467CBALA38119.77240.49680.3651.0010.10ATOM1468CALA38117.90441.94081.1811.0010.96ATOM1469OALA38117.52843.06480.8651.009.25ATOM1470NASP38217.97441.52582.4551.0013.46ATOM1472CAASP38217.65942.35883.6281.0016.25ATOM1473CBASP38218.72343.43683.8491.0021.02ATOM1474CGASP38219.81142.98784.8211.0029.16ATOM1475OD1ASP38220.33141.85684.6881.0031.18ATOM1476OD2ASP38220.12543.75685.7491.0032.56ATOM1477CASP38216.28342.99483.5871.0016.63ATOM1478OASP38216.11544.21583.5061.0014.95ATOM1479NPHE38315.28942.12683.6811.0015.23ATOM1481CAPHE38313.89742.49583.6071.0014.42ATOM1482CBPHE38313.13541.26983.1231.0013.10ATOM1483CGPHE38313.55240.82481.7561.0011.15ATOM1484CD1PHE38313.09241.49180.6341.0011.32ATOM1485CD2PHE38314.47939.79781.5911.0011.61ATOM1486CE1PHE38313.55941.14579.3871.009.59ATOM1487CE2PHE38314.95139.45280.3301.005.95ATOM1488CZPHE38314.50740.10279.2481.006.03ATOM1489CPHE38313.30642.95984.9141.0014.50ATOM1490OPHE38312.11243.04985.0351.0015.77ATOM1491NGLY38414.14943.29085.8801.0014.37ATOM1493CAGLY38413.67743.70187.1891.0014.45ATOM1494CGLY38412.72244.87387.2301.0014.19ATOM1495OGLY38411.83844.93488.1151.0013.20ATOM1496NLEU38512.92045.82886.3261.0012.95ATOM1498CALEU38512.05347.00586.3001.0013.18ATOM1499CBLEU38512.88648.28186.0231.0013.68ATOM1500CGLEU38513.86748.54487.1651.0017.86ATOM1501CD1LEU38514.94449.59086.7341.0020.90ATOM1502CD2LEU38513.09549.01588.4011.0018.99ATOM1503CLEU38510.98846.86785.2531.0011.66ATOM1504OLEU38510.22147.75585.0891.0012.38ATOM1505NALA38610.95345.74884.5231.0013.67ATOM1507CAALA3869.96545.58083.4541.0013.66ATOM1508CBALA38610.24344.31682.6521.0013.42ATOM1509CALA3868.52245.54983.9991.0013.70ATOM1510OALA3868.26245.03685.0691.0014.67ATOM1511NARG3877.59546.09483.2341.0014.30ATOM1513CAARG3876.20646.14283.6791.0015.35ATOM1514CBARG3875.88047.48884.3151.0014.74ATOM1515CGARG3876.75847.85985.5141.0017.36ATOM1516CDARG3876.53346.93586.6961.0012.99ATOM1517NEARG3877.24947.42787.8551.0014.52ATOM1519CZARG3878.36646.87888.3161.0016.69ATOM1520NH1ARG3878.89145.79687.7021.0014.56ATOM1523NH2ARG3878.95547.39689.3731.0013.33ATOM1526CARG3875.27245.96982.5231.0015.31ATOM1527OARG3875.51546.46781.4151.0013.91ATOM1528NLEU3884.17645.27282.8111.0017.64ATOM1530CALEU3883.12945.04981.8461.0020.19ATOM1531CBLEU3882.21943.89182.2801.0021.96ATOM1532CGLEU3881.04043.44181.4061.0021.86ATOM1533CD1LEU388−0.22544.18781.7381.0026.99ATOM1534CD2LEU3881.34043.57979.9461.0024.42ATOM1535CLEU3882.34646.33981.8831.0022.45ATOM1536OLEU3881.93946.79982.9341.0022.82ATOM1537NILE3892.12646.90380.7101.0025.77ATOM1539CAILE3891.39148.14780.5691.0031.17ATOM1540CBILE3892.00748.97379.4061.0032.68ATOM1541CG2ILE3890.97749.81178.7001.0035.18ATOM1542CG1ILE3893.19949.79379.9061.0033.70ATOM1543CD1ILE3893.23450.00881.3851.0033.09ATOM1544CILE389−0.08247.83080.3101.0033.94ATOM1545OILE389−0.47947.37479.2231.0033.18ATOM1546NGLU390−0.88448.03381.3431.0037.88ATOM1548CAGLU390−2.32647.79181.2771.0042.55ATOM1549CBGLU390−2.92247.97482.6741.0045.03ATOM1550CGGLU390−1.92447.70983.8271.0047.42ATOM1551CDGLU390−1.90746.26384.3201.0049.42ATOM1552OE1GLU390−2.86545.50484.0441.0052.67ATOM1553OE2GLU390−0.94145.88885.0231.0049.76ATOM1554CGLU390−2.89148.82980.2971.0044.19ATOM1555OGLU390−3.26348.50179.1691.0045.01ATOM1556NASP391−2.89950.09480.7271.0045.67ATOM1558CAASP391−3.34851.23079.9091.0046.27ATOM1559CBASP391−4.03652.27880.7951.0046.38ATOM1560CGASP391−5.09651.67381.7211.0046.67ATOM1561OD1ASP391−4.76850.77682.5301.0045.67ATOM1562OD2ASP391−6.25452.12381.6631.0047.09ATOM1563CASP391−2.02751.78679.3531.0046.49ATOM1564OASP391−0.98351.27779.7191.0049.17ATOM1565NASN392−2.03552.86178.5631.0045.78ATOM1567CAASN392−0.78553.40377.9681.0044.41ATOM1568CBASN392−1.05654.72077.2171.0046.14ATOM1569CGASN3920.18555.24476.4621.0047.37ATOM1570OD1ASN3920.40356.45976.3441.0047.96ATOM1571ND2ASN3921.00154.32575.9581.0048.86ATOM1574CASN3920.50853.57978.7751.0042.14ATOM1575OASN3921.60253.30278.2491.0043.11ATOM1576NGLU3930.43954.01280.0331.0039.10ATOM1578CAGLU3931.68654.23780.7651.0036.60ATOM1579CBGLU3932.07755.73180.6831.0036.66ATOM1580CGGLU3931.14856.69481.3811.0039.54ATOM1581CDGLU3931.58858.15881.3061.0042.34ATOM1582OE1GLU3931.61858.81182.3691.0042.59ATOM1583OE2GLU3931.86258.67680.1971.0044.17ATOM1584CGLU3931.71553.79782.2531.0034.46ATOM1585OGLU3930.76953.67582.9651.0035.21ATOM1586NPTR3943.00153.54082.6611.0029.11ATOM1587CAPTR3943.29853.16984.0251.0026.42ATOM1588CPTR3943.93154.43684.6661.0024.90ATOM1589OPTR3944.76355.07684.0701.0023.07ATOM1590CBPTR3944.36252.06183.9721.0023.81ATOM1591CGPTR3944.67151.48785.3401.0025.37ATOM1592CD1PTR3943.90650.46385.8601.0025.42ATOM1593CD2PTR3945.72851.98786.0781.0026.36ATOM1594CE1PTR3944.22049.95587.1181.0028.45ATOM1595CE2PTR3946.06151.49687.3411.0029.97ATOM1596CZPTR3945.28650.47087.8321.0030.84ATOM1597OHPTR3945.63849.94589.1361.0038.55ATOM1598PPTR3946.36250.80890.2751.0040.34ATOM1599O1PPTR3947.38751.59289.6151.0041.04ATOM1600O2PPTR3946.97649.95891.2811.0041.13ATOM1601O3PPTR3945.39151.75690.9031.0044.63ATOM1602NTHR3953.56154.72985.9021.0025.26ATOM1604CATHR3954.08855.93186.6111.0026.22ATOM1605CBTHR3952.92356.89687.0891.0027.32ATOM1606OG1THR3952.05057.15985.9911.0024.61ATOM1608CG2THR3953.47658.26287.5971.0026.90ATOM1609CTHR3954.78355.37887.8211.0027.47ATOM1610OTHR3954.16354.67888.6221.0028.67ATOM1611NALA3966.08255.62887.9371.0028.84ATOM1613CAALA3966.85955.13089.0851.0031.81ATOM1614CBALA3968.35055.32588.8391.0030.56ATOM1615CALA3966.46055.84390.3821.0034.00ATOM1616OALA3965.63956.76290.3631.0033.88ATOM1617NALA3977.05855.43291.5001.0037.57ATOM1619CAALA3976.77356.04592.8031.0040.37ATOM1620CBALA3977.10455.06893.9221.0042.31ATOM1621CALA3977.58357.33592.9441.0042.80ATOM1622OALA3978.74357.40592.5391.0042.60ATOM1623NGLU3986.97058.36293.5281.0045.77ATOM1625CAGLU3987.61059.68393.6731.0047.84ATOM1626CBGLU3986.73460.60194.5231.0050.12ATOM1627CGGLU3985.37360.88093.8841.0053.67ATOM1628CDGLU3985.49061.47392.4901.0055.50ATOM1629OE1GLU3985.99262.61292.3771.0056.86ATOM1630OE2GLU3985.08560.80591.5121.0056.88ATOM1631CGLU3989.08259.80294.0941.0047.14ATOM1632OGLU3989.76860.76593.7191.0048.42ATOM1633NGLY3999.58558.83994.8591.0046.48ATOM1635CAGLY39910.98258.89195.2661.0044.00ATOM1636CGLY39911.88158.02694.3941.0041.93ATOM1637OGLY39913.05857.83294.6981.0043.45ATOM1638NALA40011.33557.51293.2961.0040.42ATOM1640CAALA40012.09356.64492.3911.0038.09ATOM1641CBALA40011.14255.85791.4931.0038.53ATOM1642CALA40013.10357.41291.5541.0034.64ATOM1643OALA40012.78458.43490.9691.0035.67ATOM1644NALA40114.33856.92591.5291.0031.89ATOM1646CAALA40115.40657.56790.7681.0029.60ATOM1647CBALA40116.56857.95591.7041.0029.17ATOM1648CALA40115.88856.64589.6391.0027.73ATOM1649OALA40115.94855.41289.7861.0029.01ATOM1650NPHE40216.19457.24588.4961.0024.12ATOM1652CAPHE40216.64256.50787.3071.0022.37ATOM1653CBPHE40215.51956.50286.2791.0022.95ATOM1654CGPHE40214.27455.83886.7811.0024.95ATOM1655CD1PHE40214.17154.44386.7751.0025.08ATOM1656CD2PHE40213.23856.59887.3491.0025.66ATOM1657CE1PHE40213.05653.80487.3361.0026.56ATOM1658CE2PHE40212.11755.97187.9181.0025.82ATOM1659CZPHE40212.02854.57287.9101.0026.72ATOM1660CPHE40217.90357.12686.7361.0019.57ATOM1661OPHE40218.17758.29686.9941.0020.18ATOM1662NPRO40318.72256.33886.0201.0017.47ATOM1663CDPRO40318.49554.94085.6301.0018.55ATOM1664CAPRO40319.96656.85885.4281.0016.70ATOM1665CBPRO40320.54055.65784.6741.0016.97ATOM1666CGPRO40319.91054.44785.3581.0020.19ATOM1667CPRO40319.58757.94884.4511.0015.54ATOM1668OPRO40318.95457.69883.4151.0014.87ATOM1669NILE40419.94659.17384.7971.0014.66ATOM1671CAILE40419.61160.33383.9771.0013.68ATOM1672CBILE40420.16661.63584.6111.0013.64ATOM1673CG2ILE40420.07062.84783.6351.0013.49ATOM1674CG1ILE40419.45261.90885.9421.0014.28ATOM1675CD1ILE40417.96561.92385.8541.0021.89ATOM1676CILE40419.98860.28382.5141.0010.49ATOM1677OILE40419.18960.62381.6571.0013.39ATOM1678NLYS40521.21159.85782.2131.0010.10ATOM1680CALYS40521.69159.83380.8191.008.60ATOM1681CBLYS40523.20059.60380.7981.008.67ATOM1682CGLYS40524.03660.75181.4121.0011.05ATOM1683CDLYS40525.54460.42981.4421.0015.41ATOM1684CELYS40526.38261.62981.9501.0018.38ATOM1685NZLYS40527.78661.70281.3031.0023.91ATOM1689CLYS40521.00058.87279.8721.007.88ATOM1690OLYS40521.05859.06978.6441.007.04ATOM1691NTRP40620.40057.80480.4121.008.72ATOM1693CATRP40619.69856.81179.5731.009.83ATOM1694CBTRP40620.01655.38180.0391.0011.56ATOM1695CGTRP40621.35854.88479.6631.0010.68ATOM1696CD2TRP40622.57355.09380.3841.0010.60ATOM1697CE2TRP40623.58254.42279.6761.0010.53ATOM1698CE3TRP40622.89655.78681.5541.007.38ATOM1699CD1TRP40621.66654.13878.5881.0013.93ATOM1700NE1TRP40623.00653.85478.5851.0014.24ATOM1702CZ2TRP40624.90754.42480.0981.0011.04ATOM1703CZ3TRP40624.21555.78681.9841.0010.50ATOM1704CH2TRP40625.20855.11281.2611.007.77ATOM1705CTRP40618.18156.91979.6061.0011.42ATOM1706OTRP40617.49756.26778.8241.0011.43ATOM1707NTHR40717.65257.72580.5241.0010.56ATOM1709CATHR40716.22257.84880.7061.0011.52ATOM1710CBTHR40715.91157.89982.2311.0010.98ATOM1711OG1THR40716.56956.79882.8771.0012.19ATOM1713CG2THR40714.41257.80682.5081.0011.63ATOM1714CTHR40715.55559.01579.9381.0011.66ATOM1715OTHR40716.07360.09979.9191.0012.05ATOM1716NALA40814.40958.74679.3041.009.19ATOM1718CAALA40813.64559.74178.5071.009.76ATOM1719CBALA40812.41159.09077.8971.0010.54ATOM1720CALA40813.20960.87479.4191.009.45ATOM1721OALA40812.95060.64680.5581.0010.32ATOM1722NPRO40913.13262.11578.9071.0010.88ATOM1723CDPRO40913.41062.57977.5511.0011.22ATOM1724CAPRO40912.73163.24879.7311.0013.35ATOM1725CBPRO40912.68364.39678.7161.0013.57ATOM1726CGPRO40913.75663.99877.7911.0015.33ATOM1727CPRO40911.42263.08480.4691.0013.71ATOM1728OPRO40911.35663.41881.6541.0013.85ATOM1729NGLU41010.39262.55579.7891.0014.45ATOM1731CAGLU4109.07462.37580.4351.0015.87ATOM1732CBGLU4107.99961.87379.4511.0015.43ATOM1733CGGLU4108.16360.39978.9381.0016.98ATOM1734CDGLU4109.07460.24377.7111.0016.27ATOM1735OE1GLU4109.82261.19677.3511.0017.12ATOM1736OE2GLU4109.05459.15577.0941.0014.45ATOM1737CGLU4109.16361.48581.6411.0016.20ATOM1738OGLU4108.48761.72582.6411.0015.55ATOM1739NALA41110.06460.49081.5971.0016.98ATOM1741CAALA41110.24559.58682.7431.0018.93ATOM1742CBALA41111.01958.31682.3201.0018.93ATOM1743CALA41110.99560.29883.8771.0020.04ATOM1744OALA41110.73360.06585.0801.0020.20ATOM1745NILE41212.00061.10283.5131.0019.47ATOM1747CAILE41212.76461.85384.5421.0019.22ATOM1748CBILE41214.01562.53483.9401.0019.14ATOM1749CG2ILE41214.63663.57084.9381.0019.48ATOM1750CG1ILE41215.00061.48983.4361.0016.00ATOM1751CD1ILE41215.98762.07982.3881.0017.37ATOM1752CILE41211.89662.96485.1781.0018.91ATOM1753OILE41211.86463.14186.3911.0019.37ATOM1754NASN41311.17263.70084.3531.0019.40ATOM1756CAASN41310.33464.80584.8781.0021.43ATOM1757CBASN41310.08565.81983.7701.0018.83ATOM1758CGASN41311.38166.38683.2211.0019.10ATOM1759OD1ASN41312.33266.51583.9331.0019.65ATOM1760ND2ASN41311.40966.69281.9551.0020.84ATOM1763CASN4138.99064.40785.5241.0022.30ATOM1764OASN4138.52765.04086.4781.0022.79ATOM1765NTYR4148.40263.30385.0601.0022.84ATOM1767CATYR4147.10562.89185.5551.0023.38ATOM1768CBTYR4146.08563.12184.4411.0025.46ATOM1769CGTYR4146.27664.42883.6701.0029.64ATOM1770CD1TYR4146.42165.64984.3381.0030.70ATOM1771CE1TYR4146.54766.85683.6321.0031.19ATOM1772CD2TYR4146.26764.43982.2781.0029.95ATOM1773CE2TYR4146.38565.62181.5661.0032.57ATOM1774CZTYR4146.52266.83182.2471.0033.21ATOM1775OHTYR4146.61668.01881.5341.0034.76ATOM1777CTYR4146.93461.47886.1021.0023.24ATOM1778OTYR4145.87261.16286.5661.0025.90ATOM1779NGLY4157.96260.63486.0461.0021.41ATOM1781CAGLY4157.81959.26586.5241.0021.21ATOM1782CGLY4157.02958.44685.4921.0020.23ATOM1783OGLY4156.75857.27985.6711.0021.38ATOM1784NTHR4166.78759.04984.3491.0020.26ATOM1786CATHR4166.01458.44283.2851.0021.50ATOM1787CBTHR4165.16359.56682.6111.0023.40ATOM1788OG1THR4163.91659.68883.3291.0027.04ATOM1790CG2THR4164.89059.28181.1621.0026.75ATOM1791CTHR4166.83657.62982.2521.0019.43ATOM1792OTHR4167.64658.18481.4971.0016.41ATOM1793NPHE4176.57556.32082.2091.0016.02ATOM1795CAPHE4177.25955.41481.2781.0014.98ATOM1796CBPHE4177.95354.29482.0341.0014.22ATOM1797CGPHE4179.11454.72282.8691.0013.32ATOM1798CD1PHE4178.92955.04284.2051.0012.88ATOM1799CD2PHE41710.41454.69082.3521.0011.83ATOM1800CE1PHE41710.02955.31585.0241.0016.16ATOM1801CE2PHE41711.50054.95383.1521.009.52ATOM1802CZPHE41711.32255.26484.4881.0012.45ATOM1803CPHE4176.33354.71680.2901.0014.56ATOM1804OPHE4175.23854.22080.6621.0014.80ATOM1805NTHR4186.72754.69779.0231.0013.23ATOM1807CATHR4185.95953.96278.0161.0013.01ATOM1808CBTHR4185.05954.87377.0611.0014.60ATOM1809OG1THR4185.90755.55876.1511.0016.70ATOM1811CG2THR4184.21755.89277.8661.0011.08ATOM1812CTHR4187.00353.28377.1631.0011.75ATOM1813OTHR4188.21653.41077.4031.0011.33ATOM1814NILE4196.55552.53476.1671.0011.63ATOM1816CAILE4197.50151.86975.2971.0010.87ATOM1817CBILE4196.80150.91074.2971.0012.79ATOM1818CG2ILE4195.97651.67773.1711.009.94ATOM1819CG1ILE4197.85749.98773.6471.009.84ATOM1820CD1ILE4198.63849.12174.6901.009.11ATOM1821CILE4198.36352.93174.5741.0012.14ATOM1822OILE4199.52452.65974.1851.0011.23ATOM1823NLYS4207.82654.15474.4601.008.11ATOM1825CALYS4208.55255.23773.7881.007.87ATOM1826CBLYS4207.61556.40373.4891.006.52ATOM1827CGLYS4206.54156.04672.4451.005.66ATOM1828CDLYS4207.13155.63371.1251.005.00ATOM1829CELYS4205.98255.32170.1581.004.07ATOM1830NZLYS4206.42554.69968.8651.005.92ATOM1834CLYS4209.71155.72574.6451.006.25ATOM1835OLYS42010.63356.35774.1241.009.15ATOM1836NSER4219.62255.50875.9540.843.44ATOM1838CASER42110.71255.85576.8530.847.00ATOM1839CBSER42110.32055.73678.3340.845.36ATOM1840OGSER4219.19956.53278.6380.8411.88ATOM1842CSER42111.82554.87576.5660.846.33ATOM1843OSER42112.96755.22076.6220.845.12ATOM1844NASP42211.48453.60776.3341.009.14ATOM1846CAASP42212.51752.59776.0251.008.70ATOM1847CBASP42211.88551.19675.9041.0012.07ATOM1848CGASP42211.57250.56377.2591.0012.39ATOM1849OD1ASP42212.05651.02278.3271.0010.34ATOM1850OD2ASP42210.81649.58277.2461.0011.32ATOM1851CASP42213.18452.95074.6861.006.58ATOM1852OASP42214.36952.72974.5031.008.49ATOM1853NVAL42312.40653.49073.7431.005.50ATOM1855CAVAL42312.95853.86972.4551.006.60ATOM1856CBVAL42311.86154.36071.4661.005.46ATOM1857CG1VAL42312.48955.07770.2721.006.60ATOM1858CG2VAL42311.03953.17970.9421.007.26ATOM1859CVAL42314.03854.95872.6561.007.12ATOM1860OVAL42315.06554.91772.0201.005.42ATOM1861NTRP42413.78355.91073.5541.006.23ATOM1863CATRP42414.76356.97973.8451.006.55ATOM1864CBTRP42414.20857.88274.9541.005.57ATOM1865CGTRP42415.19258.95975.3461.007.05ATOM1866CD2TRP42415.15160.33574.9671.006.30ATOM1867CE2TRP42416.30860.95175.5291.008.37ATOM1868CE3TRP42414.24561.12174.2291.007.64ATOM1869CD1TRP42416.31858.80076.1091.005.60ATOM1870NE1TRP42416.98059.99076.2191.005.35ATOM1872CZ2TRP42416.59062.31575.3751.0010.22ATOM1873CZ3TRP42414.51862.50374.0751.009.61ATOM1874CH2TRP42415.68063.07874.6431.007.29ATOM1875CTRP42416.06056.28074.3631.006.20ATOM1876OTRP42417.15856.54173.8791.007.99ATOM1877NSER42515.88555.41275.3550.743.20ATOM1879CASER42516.99054.66375.9220.744.31ATOM1880CBSER42516.49553.70177.0080.742.00ATOM1881OGSER42515.80354.39578.0260.742.00ATOM1883CSER42517.73753.91374.8460.743.33ATOM1884OSER42518.95053.85074.8880.742.42ATOM1885NPHE42617.00753.29373.9031.005.45ATOM1887CAPHE42617.65752.57372.7971.006.49ATOM1888CBPHE42616.62351.92371.8731.004.63ATOM1889CGPHE42617.22051.11370.7531.007.25ATOM1890CD1PHE42617.75749.83970.9931.007.49ATOM1891CD2PHE42617.25751.60769.4641.005.54ATOM1892CE1PHE42618.32149.10269.9561.007.13ATOM1893CE2PHE42617.82050.86068.4341.007.86ATOM1894CZPHE42618.35449.60068.6981.005.60ATOM1895CPHE42618.58453.55472.0151.008.58ATOM1896OPHE42619.68653.18571.5631.005.97ATOM1897NGLY42718.11354.78471.8101.006.15ATOM1899CAGLY42718.94955.78471.1311.006.03ATOM1900CGLY42720.27655.95371.8721.004.54ATOM1901OGLY42721.34155.96271.2381.005.34ATOM1902NILE42820.21556.01473.1951.004.21ATOM1904CAILE42821.40156.16474.0151.003.97ATOM1905CBILE42821.09056.40675.4831.004.96ATOM1906CG2ILE42822.46356.52276.2581.002.19ATOM1907CG1ILE42820.16457.67175.6811.007.36ATOM1908CD1ILE42820.78258.97675.2031.003.13ATOM1909CILE42822.29754.87373.9141.008.27ATOM1910OILE42823.54754.93373.8881.004.68ATOM1911NLEU42921.63753.71173.9721.007.27ATOM1913CALEU42922.32752.41073.8271.006.62ATOM1914CBLEU42921.29651.25373.9591.006.35ATOM1915CGLEU42921.84549.87774.3291.0011.27ATOM1916CD1LEU42920.67348.93374.7561.008.31ATOM1917CD2LEU42922.56049.30873.1391.0012.01ATOM1918CLEU42923.10652.37572.4911.006.20ATOM1919OLEU42924.25651.91072.4531.005.46ATOM1920NLEU43022.53052.85971.3841.006.35ATOM1922CALEU43023.25752.88370.1181.007.66ATOM1923CBLEU43022.40553.53169.0011.009.11ATOM1924CGLEU43021.08852.86068.5751.0012.71ATOM1925CD1LEU43020.40253.71067.4691.0012.19ATOM1926CD2LEU43021.36451.43368.0381.0011.08ATOM1927CLEU43024.60953.67470.2391.008.68ATOM1928OLEU43025.57453.39369.5011.007.43ATOM1929NTHR43124.65154.72071.0751.008.14ATOM1931CATHR43125.92155.50671.2571.008.38ATOM1932CBTHR43125.74156.85972.0211.004.90ATOM1933OG1THR43125.46956.64373.3921.003.60ATOM1935CG2THR43124.52957.70471.4251.005.55ATOM1936CTHR43126.92354.63172.0051.008.62ATOM1937OTHR43128.12554.63171.6951.009.17ATOM1938NGLU43226.42453.86072.9671.007.90ATOM1940CAGLU43227.32852.95173.6941.0010.08ATOM1941CBGLU43226.62752.18674.8151.005.99ATOM1942CGGLU43226.14353.05775.9321.0010.88ATOM1943CDGLU43225.36352.31376.9461.009.59ATOM1944OE1GLU43224.17552.00476.6771.0010.03ATOM1945OE2GLU43225.90552.07278.0501.0011.37ATOM1946CGLU43227.92651.94272.7451.008.62ATOM1947OGLU43229.09751.53672.9161.0011.14ATOM1948NILE43327.13751.48771.7781.008.61ATOM1950CAILE43327.60450.46270.8311.0010.01ATOM1951CBILE43326.41349.89169.9761.0010.36ATOM1952CG2ILE43326.92849.14868.7501.009.69ATOM1953CG1ILE43325.55548.91570.7931.007.16ATOM1954CD1ILE43324.34148.43169.9431.009.87ATOM1955CILE43328.70250.97569.9161.0013.45ATOM1956OILE43329.81950.39169.8001.0013.31ATOM1957NVAL43428.42652.11969.3041.0010.37ATOM1959CAVAL43429.35752.73668.3631.0013.65ATOM1960CBVAL43428.62453.81967.5151.0014.15ATOM1961CG1VAL43428.52655.10168.2911.0012.09ATOM1962CG2VAL43429.33554.02966.2121.0017.74ATOM1963CVAL43430.63553.32969.0021.0012.97ATOM1964OVAL43431.57053.67468.3081.0017.99ATOM1965NTHR43530.64653.50070.3141.0011.64ATOM1967CATHR43531.81554.02870.9931.0011.78ATOM1968CBTHR43531.45855.20671.9451.0012.27ATOM1969OG1THR43530.57354.73772.9671.0010.57ATOM1971CG2THR43530.79556.33871.1921.008.79ATOM1972CTHR43532.47552.91171.8161.0012.81ATOM1973OTHR43533.28553.16672.7101.0010.66ATOM1974NHIS43632.03751.66771.5811.0012.55ATOM1976CAHIS43632.59950.52072.2941.0013.21ATOM1977CBHIS43634.04450.24971.8381.0016.87ATOM1978CGHIS43634.13949.67970.4451.0018.59ATOM1979CD2HIS43634.22850.28869.2331.0020.86ATOM1980ND1HIS43634.14848.31870.1891.0020.34ATOM1982CE1HIS43634.24148.11268.8841.0019.64ATOM1983NE2HIS43634.28749.28768.2801.0021.05ATOM1985CHIS43632.48550.65973.7931.0013.02ATOM1986OHIS43633.40650.44574.5421.0012.87ATOM1987NGLY43731.29751.06574.2311.009.87ATOM1989CAGLY43731.04151.17675.6441.009.32ATOM1990CGLY43731.32452.44976.4091.0010.65ATOM1991OGLY43731.23552.40877.6281.0014.03ATOM1992NARG43831.61953.55975.7440.587.95ATOM1994CAARG43831.86554.84576.4340.589.13ATOM1995CBARG43832.37955.91175.4270.587.13ATOM1996CGARG43832.76757.29176.0160.5813.47ATOM1997CDARG43833.30858.33174.9470.5815.92ATOM1998NEARG43834.14459.36075.5920.5820.59ATOM2000CZARG43834.64960.45375.0090.5822.05ATOM2001NH1ARG43834.42560.73173.7330.5824.21ATOM2004NH2ARG43835.40261.28275.7130.5824.37ATOM2007CARG43830.58755.36577.1000.588.53ATOM2008OARG43829.49855.12876.6270.587.09ATOM2009NILE43930.75256.17878.1451.0010.66ATOM2011CAILE43929.62756.76078.8781.0010.11ATOM2012CBILE43930.08157.32080.2411.0012.96ATOM2013CG2ILE43928.96858.21380.9131.0010.12ATOM2014CG1ILE43930.42756.14681.1591.0014.57ATOM2015CD1ILE43930.99556.62082.4851.0021.31ATOM2016CILE43929.00957.86378.0181.008.83ATOM2017OILE43929.73758.62877.3011.006.52ATOM2018NPRO44027.66457.83077.8950.434.21ATOM2019CDPRO44026.75756.80778.4450.433.42ATOM2020CAPRO44026.94458.82877.0970.432.93ATOM2021CBPRO44025.47058.37677.1800.432.42ATOM2022CGPRO44025.40657.46978.3300.433.41ATOM2023CPRO44027.16260.25577.5700.434.35ATOM2024OPRO44027.46760.51978.7210.432.00ATOM2025NTYR44127.03061.18076.6261.008.70ATOM2027CATYR44127.24262.60476.8751.0011.22ATOM2028CBTYR44126.14163.16077.7831.007.10ATOM2029CGTYR44124.73762.95977.2251.008.04ATOM2030CD1TYR44124.19963.85176.2991.005.02ATOM2031CE1TYR44122.83863.71375.8341.006.62ATOM2032CD2TYR44123.92261.91077.6931.008.69ATOM2033CE2TYR44122.58561.77177.2651.006.35ATOM2034CZTYR44122.06262.69076.3271.003.59ATOM2035OHTYR44120.79162.56775.9061.005.76ATOM2037CTYR44128.64862.83277.4801.0013.13ATOM2038OTYR44128.78263.36378.5801.0013.31ATOM2039NPRO44229.70862.47476.7201.0016.46ATOM2040CDPRO44229.65062.02375.3051.0016.07ATOM2041CAPRO44231.09962.63477.1711.0018.90ATOM2042CBPRO44231.91262.36975.8961.0018.71ATOM2043CGPRO44231.02661.50675.0561.0017.72ATOM2044CPRO44231.40864.05477.7341.0017.44ATOM2045OPRO44230.97365.04777.2011.0020.36ATOM2046NGLY44331.98964.10078.9231.0019.95ATOM2048CAGLY44332.36965.37979.5301.0018.74ATOM2049CGLY44331.24066.18080.1561.0018.63ATOM2050OGLY44331.44867.36480.5171.0017.80ATOM2051NMET44430.07465.55680.3461.0014.22ATOM2053CAMET44428.94366.26280.9331.0013.92ATOM2054CBMET44427.82266.47379.8891.0012.80ATOM2055CGMET44428.28467.08078.5621.0012.70ATOM2056SDMET44427.05767.12477.2321.0016.71ATOM2057CEMET44425.67367.83978.0211.0014.85ATOM2058CMET44428.36865.58482.1681.0012.83ATOM2059OMET44428.27464.35382.2361.0013.52ATOM2060NTHR44528.00366.40883.1541.009.18ATOM2062CATHR44527.35765.94784.3661.009.96ATOM2063CBTHR44527.54366.96285.4831.0012.35ATOM2064OG1THR44526.88968.20085.1111.0010.49ATOM2066CG2THR44529.03467.19185.7071.0011.76ATOM2067CTHR44525.85865.85384.0491.009.07ATOM2068OTHR44525.41366.29983.0201.007.89ATOM2069NASN44625.09665.24584.9311.008.86ATOM2071CAASN44623.64665.12184.7491.0011.83ATOM2072CBASN44623.05664.28185.9041.0012.92ATOM2073CGASN44623.41862.78385.7991.0013.53ATOM2074OD1ASN44623.73262.29084.7371.0014.11ATOM2075ND2ASN44623.30062.07286.8881.0013.23ATOM2078CASN44622.92766.48984.5911.0011.18ATOM2079OASN44622.00566.60983.7811.0012.97ATOM2080NPRO44723.26067.50285.4401.0012.38ATOM2081CDPRO44723.96867.35886.7331.0010.34ATOM2082CAPRO44722.62968.83285.3251.0011.77ATOM2083CBPRO44723.30569.62086.4561.0014.03ATOM2084CGPRO44723.50068.54987.5371.0012.63ATOM2085CPRO44722.88369.45283.9321.0010.06ATOM2086OPRO44721.98970.09683.3481.0010.62ATOM2087NGLU44824.09569.26183.3791.009.60ATOM2089CAGLU44824.43569.74182.0371.009.02ATOM2090CBGLU44825.92269.53381.7371.0011.92ATOM2091CGGLU44826.84270.58382.4711.0014.25ATOM2092CDGLU44828.30370.26382.2431.0017.10ATOM2093OE1GLU44828.74669.09182.4551.0015.79ATOM2094OE2GLU44829.01471.17381.7951.0020.35ATOM2095CGLU44823.63369.04180.9441.008.80ATOM2096OGLU44823.27769.61779.9091.007.80ATOM2097NVAL44923.44667.73381.1151.008.54ATOM2099CAVAL44922.67466.95380.1271.008.45ATOM2100CBVAL44922.72765.41480.4921.007.43ATOM2101CG1VAL44921.66364.62479.7281.009.15ATOM2102CG2VAL44924.09064.86280.1411.0011.63ATOM2103CVAL44921.21867.49780.1571.005.64ATOM2104OVAL44920.65067.84579.1381.007.70ATOM2105NILE45020.64967.63181.3370.602.91ATOM2107CAILE45019.27468.14181.4600.604.78ATOM2108CBILE45018.87068.17782.9620.603.17ATOM2109CG2ILE45017.53868.96983.1850.604.56ATOM2110CG1ILE45018.73366.72183.4540.603.56ATOM2111CD1ILE45018.78366.57084.9230.604.70ATOM2112CILE45019.06169.51480.7980.605.71ATOM2113OILE45018.14669.73479.9870.602.44ATOM2114NGLN45120.02770.37781.0551.009.36ATOM2116CAGLN45120.05371.75480.5591.0014.03ATOM2117CBGLN45121.24872.48781.2111.0019.90ATOM2118CGGLN45121.41673.98180.9171.0028.98ATOM2119CDGLN45122.70574.54481.5571.0034.25ATOM2120OE1GLN45123.83074.07181.2611.0036.31ATOM2121NE2GLN45122.55375.54682.4311.0036.66ATOM2124CGLN45120.16671.71479.0491.0012.84ATOM2125OGLN45119.44172.40278.3351.0011.56ATOM2126NASN45221.06970.89178.5271.0011.36ATOM2128CAASN45221.19670.81977.0831.0010.00ATOM2129CBASN45222.42470.01076.6931.0012.65ATOM2130CGASN45223.68370.86576.5641.0016.71ATOM2131OD1ASN45224.57870.53975.7871.0023.16ATOM2132ND2ASN45223.75971.93777.3081.0018.51ATOM2135CASM45219.91770.25176.4351.009.75ATOM2136OASN45219.38770.76875.4011.008.53ATOM2137NLEU45319.38669.17477.0071.009.20ATOM2139CALEU45318.16068.61276.4361.008.71ATOM2140CBLEU45317.68767.41177.2361.009.28ATOM2141CGLEU45318.62466.18677.1521.009.86ATOM2142CD1LEU45318.10465.08978.0511.007.88ATOM2143CD2LEU45318.69765.76275.6641.0011.07ATOM2144CLEU45317.04669.65076.4041.008.57ATOM2145OLEU45316.38169.78575.4351.0010.42ATOM2146NGLU45416.87570.39677.4901.0011.11ATOM2148CAGLU45415.79871.39877.5601.0011.88ATOM2149CBGLU45415.62971.86679.0111.0015.37ATOM2150CGGLU45415.19470.67279.9031.0018.92ATOM2151CDGLU45414.98070.99781.3711.0023.60ATOM2152OE1GLU45415.58371.96481.8851.0026.49ATOM2153OE2GLU45414.21170.24182.0381.0025.97ATOM2154CGLU45415.91372.54876.5341.0011.10ATOM2155OGLU45414.90573.16076.1381.0012.14ATOM2156NARG45517.11572.72875.9851.009.92ATOM2158CAARG45517.39473.73974.9431.009.09ATOM2159CBARG45518.90474.07174.9331.0011.52ATOM2160CGARG45519.38574.72276.1961.0013.92ATOM2161CDARG45520.79375.25276.0491.0015.24ATOM2162NEARG45520.84576.40675.1501.0012.95ATOM2164CZARG45521.95877.07974.8621.0012.76ATOM2165NH1ARG45523.12176.70575.3921.0011.45ATOM2168NH2ARG45521.90678.14974.0691.0011.06ATOM2171CARG45517.07073.16073.5711.009.53ATOM2172OARG45517.08573.84472.5511.0011.25ATOM2173NGLY45616.80871.85373.5291.008.70ATOM2175CAGLY45616.56171.20572.2631.006.55ATOM2176CGLY45617.79670.52671.6811.005.96ATOM2177OGLY45617.75070.04770.5621.008.41ATOM2178NTYR45718.92270.53072.3901.007.30ATOM2180CATYR45720.13169.88071.8581.007.68ATOM2181CBTYR45721.40170.32472.5791.007.52ATOM2182CGTYR45721.84071.77672.4241.009.01ATOM2183CD1TYR45721.45472.53471.3311.0010.16ATOM2184CE1TYR45721.98973.84471.0971.0010.10ATOM2185CD2TYR45722.75172.31973.3101.0011.27ATOM2186CE2TYR45723.29073.62273.1081.0012.24ATOM2187CZTYR45722.89774.36071.9961.0011.69ATOM2188OHTYR45723.42675.62771.8111.0010.39ATOM2190CTYR45720.00468.41672.2171.007.71ATOM2191OTYR45719.21868.07073.0851.005.65ATOM2192NARG45820.80467.58671.5651.006.53ATOM2194CAARG45820.84866.14871.9001.007.08ATOM2195CBARG45820.19665.32470.7981.004.26ATOM2196CGARG45818.64165.55170.6761.007.42ATOM2197CDARG45817.95565.11371.9731.005.42ATOM2198NEARG45816.49865.30171.9001.004.88ATOM2200CZARG45815.82966.31872.4421.009.16ATOM2201NH1ARG45816.48667.28373.1031.009.98ATOM2204NH2ARG45814.48366.32572.3961.005.17ATOM2207CARG45822.34365.86371.9511.009.32ATOM2208OARG45823.17166.75671.6951.007.42ATOM2209NMET45922.70564.61772.2721.008.38ATOM2211CAMET45924.12264.23772.3311.008.96ATOM2212CBMET45924.26062.72472.5961.006.66ATOM2213CGMET45925.57762.36973.2051.008.80ATOM2214SDMET45925.70760.52473.3641.009.21ATOM2215CEMET45924.39060.19674.3151.009.63ATOM2216CMET45924.88064.54771.0591.007.14ATOM2217OMET45924.43664.28469.9551.007.18ATOM2218NVAL46026.06765.11371.2431.008.38ATOM2220CAVAL46026.97765.43370.1671.0010.29ATOM2221CBVAL46028.31865.99970.7641.0013.33ATOM2222CG1VAL46029.38766.08369.7251.0012.10ATOM2223CG2VAL46028.07067.39471.4231.0016.34ATOM2224CVAL46027.27564.12469.4281.0011.62ATOM2225OVAL46027.37663.08170.0591.0013.62ATOM2226NARG46127.41464.19568.1081.0011.56ATOM2228CAARG46127.74863.03367.2761.0014.53ATOM2229CBARG46128.10163.45665.8281.0014.99ATOM2230CGARG46126.96364.09465.0001.0014.92ATOM2231CDARG46127.43164.65563.6381.0017.39ATOM2232NEARG46126.28664.99162.7761.0013.44ATOM2234CZARG46125.59966.14162.7851.0017.27ATOM2235NH1ARG46125.90167.13963.6241.0015.13ATOM2238NH2ARG46124.61866.32261.9011.0012.90ATOM2241CARG46128.99462.35867.8221.0016.47ATOM2242OARG46130.04963.00267.9661.0015.87ATOM2243NPRO46228.88761.06268.1791.0014.68ATOM2244CDPRO46227.67560.22768.3251.0015.13ATOM2245CAPRO46230.07560.38568.6971.0016.27ATOM2246CBPRO46229.53658.99869.1231.0014.87ATOM2247CGPRO46228.05859.28569.4591.0015.13ATOM2248CPRO46231.11860.27567.6001.0017.36ATOM2249OPRO46230.81660.34066.4141.0014.94ATOM2250NASP46332.38060.21468.0251.0021.83ATOM2252CAASP46333.50360.07267.1081.0023.79ATOM2253CBASP46334.80859.88967.8831.0027.14ATOM2254CGASP46335.21461.13368.6271.0031.66ATOM2255OD1ASP46334.82362.24268.1751.0032.60ATOM2256OD2ASP46335.91860.99669.6621.0034.15ATOM2257CASP46333.26558.83366.2931.0024.03ATOM2258OASP46332.77257.83866.8201.0025.01ATOM2259NASN46433.57458.92665.0031.0023.24ATOM2261CAASN46433.42157.83464.0641.0024.48ATOM2262CBASN46434.44956.75264.3871.0029.50ATOM2263CGASN46435.85657.29964.3711.0030.61ATOM2264OD1ASN46436.23358.04163.4601.0033.47ATOM2265ND2ASN46436.59457.03665.4161.0032.95ATOM2268CASN46432.02357.23563.9141.0022.41ATOM2269OASN46431.87956.14363.4201.0024.37ATOM2270NCYS46530.99157.93364.3751.0019.98ATOM2272CACYS46529.61357.41764.2101.0019.12ATOM2273CBCYS46528.68058.07765.2441.0018.06ATOM2274SGCYS46526.96157.54365.2291.0016.47ATOM2275CCYS46529.09557.73962.7921.0017.54ATOM2276OCYS46529.17558.87762.3531.0017.92ATOM2277NPRO46628.61356.72362.0371.0015.82ATOM2278CDPRO46628.60755.27562.3261.0015.22ATOM2279CAPRO46628.09056.99460.6941.0014.66ATOM2280CBPRO46627.62955.62460.2141.0015.65ATOM2281CGPRO46628.55454.65960.9571.0016.18ATOM2282CPRO46626.86457.93360.8461.0014.65ATOM2283OPRO46626.01257.75961.7571.0010.18ATOM2284NGLU46726.79758.93759.9711.0011.67ATOM2286CAGLU46725.69659.91260.0101.0010.18ATOM2287CBGLU46725.91060.97258.9151.009.33ATOM2288CGGLU46724.92062.17159.0021.009.53ATOM2289CDGLU46724.93462.88360.3601.009.62ATOM2290OE1GLU46725.91362.76961.1191.008.00ATOM2291OE2GLU46723.94163.56060.6901.0011.06ATOM2292CGLU46724.28459.25659.9151.007.67ATOM2293OGLU46723.35859.64960.6331.007.21ATOM2294NGLU46824.13658.19959.1220.513.25ATOM2296CAGLU46822.83557.49759.0360.513.63ATOM2297CBGLU46822.90156.34058.0380.512.00ATOM2298CGGLU46823.18456.81456.6400.513.78ATOM2299CDGLU46823.59855.70455.7340.515.17ATOM2300OE1GLU46822.70055.02455.1820.513.58ATOM2301OE2GLU46824.82655.51855.5770.515.21ATOM2302CGLU46822.37856.95560.3860.512.00ATOM2303OGLU46821.22357.04560.7540.512.00ATOM2304NLEU46923.32656.40861.1421.004.11ATOM2306CALEU46923.04055.86462.4751.005.94ATOM2307CBLEU46924.21055.03563.0241.008.41ATOM2308CGLEU46923.92454.37764.4111.009.32ATOM2309CD1LEU46922.85453.29564.2701.009.52ATOM2310CD2LEU46925.22553.75564.9651.009.76ATOM2311CLEU46922.74156.99663.4561.007.74ATOM2312OLEU46921.80856.93564.2501.008.18ATOM2313NTYR47023.52858.07963.3761.007.64ATOM2315CATYR47023.29959.21164.2571.006.10ATOM2316CBTYR47024.37060.32564.0131.007.72ATOM2317CGTYR47024.17461.53864.9211.006.53ATOM2318CD1TYR47024.30461.42166.2981.008.09ATOM2319CE1TYR47024.15462.52267.1361.008.81ATOM2320CD2TYR47023.87662.80764.3881.007.03ATOM2321CE2TYR47023.71263.92365.2131.006.75ATOM2322CZTYR47023.85763.78266.5871.009.17ATOM2323OHTYR47023.75764.87967.4551.008.33ATOM2325CTYR47021.87959.76463.9761.005.88ATOM2326OTYR47021.18860.10964.9101.008.89ATOM2327NGLN47121.46459.90562.7041.006.37ATOM2329CAGLN47120.08960.39662.4011.005.98ATOM2330CBGLN47119.90260.70960.9031.007.06ATOM2331CGGLN47120.66762.01660.4881.008.39ATOM2332CDGLN47120.30363.19261.4031.0010.48ATOM2333OE1GLN47119.10263.45461.6411.009.64ATOM2334NE2GLN47121.31363.93261.8881.008.49ATOM2337CGLN47119.02359.38162.9121.006.80ATOM2338OGLN47117.92459.74663.2511.008.94ATOM2339NLEU47219.37258.09763.0061.007.17ATOM2341CALEU47218.40957.12963.5791.006.73ATOM2342CBLEU47218.83755.68463.3051.007.36ATOM2343CGLEU47217.75154.63363.5681.004.99ATOM2344CD1LEU47216.60854.83562.5801.006.17ATOM2345CD2LEU47218.38653.21963.4321.005.99ATOM2346CLEU47218.29657.38065.1051.007.03ATOM2347OLEU47217.21757.33365.6961.007.74ATOM2348NMET47319.41857.67265.7651.008.81ATOM2350CAMET47319.37557.95767.2051.007.49ATOM2351CBMET47320.77258.19367.7381.006.97ATOM2352CGMET47321.83357.10567.4111.008.95ATOM2353SDMET47323.48257.86967.7641.009.18ATOM2354CEMET47324.66756.45467.7161.006.33ATOM2355CMET47318.53359.22567.4631.007.22ATOM2356OMET47317.77459.31068.4341.006.41ATOM2357NARG47418.67860.21466.5891.005.53ATOM2359CAARG47417.92361.48166.7391.008.24ATOM2360CBARG47418.26062.50365.6091.009.46ATOM2361CGARG47419.71362.86265.4711.0012.37ATOM2362CDARG47420.22963.72066.6551.0019.09ATOM2363NEARG47419.50864.99066.8251.0020.33ATOM2365CZARG47420.06066.12667.2441.0016.96ATOM2366NH1ARG47421.37266.20667.4941.0012.13ATOM2369NH2ARG47419.26067.10867.6671.0016.09ATOM2372CARG47416.41561.19466.6761.008.17ATOM2373OARG47415.66561.82467.4011.009.22ATOM2374NLEU47515.98560.22065.8631.006.83ATOM2376CALEU47514.52259.85365.8261.008.75ATOM2377CBLEU47514.14858.79164.7741.008.07ATOM2378CGLEU47514.37859.00263.3031.0012.69ATOM2379CD1LEU47513.63457.89562.5661.0014.03ATOM2380CD2LEU47513.85660.35962.8461.0013.04ATOM2381CLEU47514.11159.29867.1641.008.19ATOM2382OLEU47512.99259.56867.6371.008.29ATOM2383NCYS47615.00958.53567.8051.008.96ATOM2385CACYS47614.70258.00169.1321.009.13ATOM2386CBCYS47615.79757.00569.5931.009.64ATOM2387SGCYS47615.97055.54768.4971.0010.31ATOM2388CCYS47614.59359.09370.1731.009.15ATOM2389OCYS47614.02158.88971.2431.008.58ATOM2390NTRP47715.24560.24169.9091.0011.52ATOM2392CATRP47715.23761.33170.8741.0011.66ATOM2393CBTRP47716.65261.91071.0601.0010.91ATOM2394CGTRP47717.72960.90571.4771.0010.69ATOM2395CD2TRP47719.09060.88071.0141.008.06ATOM2396CE2TRP47719.70659.73771.5821.0010.51ATOM2397CE3TRP47719.84961.71570.1691.006.59ATOM2398CD1TRP47717.58359.81072.3121.007.36ATOM2399NE1TRP47718.75959.11672.3671.009.93ATOM2401CZ2TRP47721.06559.39171.3291.008.71ATOM2402CZ3TRP47721.19161.38169.9141.007.45ATOM2403CH2TRP47721.78360.23270.4931.008.83ATOM2404CTRP47714.25162.46670.5501.0012.97ATOM2405OTRP47714.38763.58971.0181.0012.53ATOM2406NLYS47813.21062.15369.7961.0015.35ATOM2408CALYS47812.21563.16269.4751.0014.26ATOM2409CBLYS47811.23362.64768.4151.0016.83ATOM2410CGLYS47811.86562.69767.0381.0019.68ATOM2411CDLYS47810.89862.36665.9691.0024.32ATOM2412CELYS47811.46862.66964.5981.0024.58ATOM2413NZLYS47811.72064.10464.4811.0029.10ATOM2417CLYS47811.55563.61970.7391.0012.48ATOM2418OLYS47811.39962.87171.7051.0011.24ATOM2419NGLU47911.33564.92670.8181.0012.24ATOM2421CAGLU47910.71965.50072.0141.0013.61ATOM2422CBGLU47910.43066.99671.7631.0016.26ATOM2423CGGLU4799.85467.72572.9531.0020.83ATOM2424CDGLU47910.84867.84774.0811.0026.33ATOM2425OE1GLU47912.06867.60573.8411.0027.22ATOM2426OE2GLU47910.41568.18875.2101.0027.42ATOM2427CGLU4799.41964.78872.3991.0013.09ATOM2428OGLU4799.21164.40973.5481.0013.68ATOM2429NARG4808.48564.67971.4611.0012.69ATOM2431CAARG4807.21964.00671.8311.0015.85ATOM2432CBARG4806.04664.46670.9481.0016.94ATOM2433CGARG4805.85965.99570.9461.0023.39ATOM2434CDARG4804.53066.36570.3321.0027.67ATOM2435NEARG4804.49366.09268.9041.0033.64ATOM2437CZARG4803.39865.72968.2341.0036.96ATOM2438NH1ARG4802.24365.58568.8811.0038.79ATOM2441NH2ARG4803.44365.56566.9101.0035.83ATOM2444CARG4807.37662.50071.7311.0012.27ATOM2445OARG4807.80161.99770.7231.0012.79ATOM2446NPRO4817.02161.77772.7881.0011.66ATOM2447CDPRO4816.50562.31074.0631.0012.06ATOM2448CAPRO4817.12460.31172.8171.0012.25ATOM2449CBPRO4816.34959.94374.0901.0012.06ATOM2450CGPRO4816.59661.11274.9881.0012.05ATOM2451CPRO4816.46759.69071.5951.0012.62ATOM2452OPRO4817.07058.88670.8701.0010.95ATOM2453NGLU4825.26760.17971.2621.0013.13ATOM2455CAGLU4824.51859.63170.1381.0015.42ATOM2456CBGLU4823.06860.17870.1411.0021.05ATOM2457CGGLU4822.96061.67869.8841.0027.58ATOM2458CDGLU4822.98162.56871.1321.0030.23ATOM2459OE1GLU4823.40562.15172.2541.0028.76ATOM2460OE2GLU4822.54463.73070.9551.0032.94ATOM2461CGLU4825.17559.76668.7671.0012.59ATOM2462OGLU4824.86559.01967.8191.0010.03ATOM2463NASP4836.14960.67668.6531.0013.06ATOM2465CAASP4836.85460.86567.3891.0011.42ATOM2466CBASP4837.41062.28967.2571.0014.02ATOM2467CGASP4836.30363.35367.1281.0019.29ATOM2468OD1ASP4835.15563.00066.7961.0018.01ATOM2469OD2ASP4836.60464.52667.3891.0018.98ATOM2470CASP4838.01959.91367.2121.009.88ATOM2471OASP4838.55259.77266.1081.0010.53ATOM2472NARG4848.46559.32468.3111.008.99ATOM2474CAARG4849.59958.37768.2861.008.84ATOM2475CBARG48410.04758.08169.7141.009.56ATOM2476CGARG48410.41659.33170.5091.006.73ATOM2477CDARG48410.87559.03571.9141.008.41ATOM2478NEARG48410.87760.27372.6861.007.26ATOM2480CZARG48410.69460.35774.0031.0010.06ATOM2481NH1ARG48410.52459.25374.7361.009.41ATOM2484NH2ARG48410.55761.56174.5831.007.76ATOM2487CARG4849.07957.10567.5771.009.79ATOM2488OARG4847.92756.74467.7191.008.30ATOM2489NPRO4859.94056.42766.8111.008.28ATOM2490CDPRO48511.40456.68066.7801.007.46ATOM2491CAPRO4859.58255.21966.0571.008.60ATOM2492CBPRO48510.80955.01265.1571.007.26ATOM2493CGPRO48511.95355.47666.0421.007.83ATOM2494CPRO4859.31254.00166.9051.008.39ATOM2495OPRO4859.56253.98368.1041.008.61ATOM2496NTHR4868.75152.97866.2671.0010.14ATOM2498CATHR4868.52551.71666.9751.009.93ATOM2499CBTHR4867.43250.89466.2851.0011.71ATOM2500OG1THR4867.88350.57664.9631.009.31ATOM2502CG2THR4866.09451.71266.2121.0010.77ATOM2503CTHR4869.82150.89166.9061.009.76ATOM2504OTHR48610.72051.10666.0361.009.57ATOM2505NPHE4879.89449.88067.7641.008.81ATOM2507CAPHE48711.04349.00267.7581.009.30ATOM2508CBPHE48711.12448.16869.0501.007.15ATOM2509CGPHE48711.74848.90870.1621.006.74ATOM2510CD1PHE48713.11849.18170.1411.005.25ATOM2511CD2PHE48710.98849.33371.2401.006.74ATOM2512CE1PHE48713.71649.87871.2241.005.38ATOM2513CE2PHE48711.56150.01572.2811.007.47ATOM2514CZPHE48712.95350.28772.2781.007.99ATOM2515CPHE48711.08348.18266.5051.009.64ATOM2516OPHE48712.15547.93565.9501.008.29ATOM2517NASP4889.91147.85065.9661.0011.10ATOM2519CAASP4889.90947.13264.6991.0010.80ATOM2520CBASP4888.51046.67364.3061.0017.60ATOM2521CGASP4888.56545.55263.2861.0022.53ATOM2522OD1ASP4889.38144.63063.4791.0026.33ATOM2523OD2ASP4887.85745.61762.2811.0025.89ATOM2524CASP48810.50448.00763.5661.0010.95ATOM2525OASP48811.26847.50562.6801.009.83ATOM2526NTYR48910.15549.30763.5541.007.53ATOM2528CATYR48910.70350.21862.5271.008.33ATOM2529CBTYR48910.16251.67362.7061.006.41ATOM2530CGTYR48910.78752.67161.7611.0012.54ATOM2531CD1TYR48910.31952.83060.4671.0011.81ATOM2532CE1TYR48910.95253.70259.5801.0012.33ATOM2533CD2TYR48911.91853.43362.1551.0013.93ATOM2534CE2TYR48912.53754.30761.2721.0012.86ATOM2535CZTYR48912.06154.43160.0031.0012.57ATOM2536OHTYR48912.68355.29559.1341.0010.28ATOM2538CTYR48912.25050.22362.6611.006.43ATOM2539OTYR48912.96650.04661.7081.009.95ATOM2540NLEU49012.71550.44863.8681.009.44ATOM2542CALEU49014.14450.48364.2081.0010.56ATOM2543CBLEU49014.31950.71165.7231.009.09ATOM2544CGLEU49013.93852.10866.2221.009.40ATOM2545CD1LEU49013.73752.13867.7501.0010.17ATOM2546CD2LEU49015.03553.09465.8041.0011.51ATOM2547CLEU49014.85549.19263.7681.009.22ATOM2548OLEU49015.84149.24263.1131.009.40ATOM2549NARG49114.27848.03564.0741.009.85ATOM2551CAARG49114.89146.75863.6861.008.29ATOM2552CBARG49114.01445.57564.1631.008.09ATOM2553CGARG49114.55744.21463.6011.009.21ATOM2554CDARG49113.45543.11963.5451.0014.63ATOM2555NEARG49112.24943.61962.8611.0017.86ATOM2557CZARG49112.05443.68961.5411.0017.59ATOM2558NH1ARG49112.97543.27960.6741.0018.87ATOM2561NH2ARG49110.91744.21361.0891.0016.93ATOM2564CARG49115.07846.68262.1751.009.76ATOM2565OARG49116.14546.35561.6441.0010.85ATOM2566NSER49214.02647.07861.4680.718.11ATOM2568CASER49214.00647.05460.0270.716.86ATOM2569CBSER49212.59747.45859.5460.717.55ATOM2570OGSER49212.51847.36758.1560.7111.29ATOM2572CSER49215.05047.97759.4060.717.68ATOM2573OSER49215.72447.62058.4560.713.32ATOM2574NVAL49315.15549.20459.9121.008.81ATOM2576CAVAL49316.15150.12859.3431.0010.14ATOM2577CBVAL49316.02351.54959.9431.009.81ATOM2578CG1VAL49317.23852.44159.5081.007.77ATOM2579CG2VAL49314.69352.17559.5161.008.92ATOM2580CVAL49317.55449.59459.6701.008.53ATOM2581OVAL49318.44849.65058.8421.0010.58ATOM2582NLEU49417.74749.13960.9061.009.18ATOM2584CALEU49419.05848.62261.3181.009.12ATOM2585CBLEU49419.09648.36462.8161.009.94ATOM2586CGLEU49419.26149.60163.7151.008.16ATOM2587CD1LEU49418.79049.28865.0901.004.70ATOM2588CD2LEU49420.70250.17963.7171.002.75ATOM2589CLEU49419.49047.42560.4971.0011.22ATOM2590OLEU49420.68347.29060.1691.0011.13ATOM2591NGLU49518.53946.54160.1441.0011.26ATOM2593CAGLU49518.87845.40759.2791.0011.66ATOM2594CBGLU49517.67944.44459.1331.0013.61ATOM2595CGGLU49517.50343.56660.3801.0011.89ATOM2596CDGLU49516.26042.68760.3691.0017.24ATOM2597OE1GLU49515.56242.57959.3461.0018.35ATOM2598OE2GLU49515.95542.11361.4291.0018.05ATOM2599CGLU49519.32145.90357.8741.0011.87ATOM2600OGLU49520.17245.31957.2371.0011.52ATOM2601NASP49618.66146.93457.3621.009.31ATOM2603CAASP49619.03247.49056.0811.0010.10ATOM2604CBASP49618.01248.58555.6631.0012.32ATOM2605CGASP49616.75547.99555.0581.0016.14ATOM2606OD1ASP49616.75346.77454.7631.0015.24ATOM2607OD2ASP49615.76748.71654.8841.0014.19ATOM2608CASP49620.42948.08556.1671.0010.00ATOM2609OASP49621.25147.89655.2861.0010.81ATOM2610NPHE49720.72248.77557.2681.0010.93ATOM2612CAPHE49722.03949.38957.4121.0012.83ATOM2613CBPHE49722.13150.12058.7531.0012.07ATOM2614CGPHE49721.39851.44558.8011.009.10ATOM2615CD1PHE49720.70651.92557.6971.0011.06ATOM2616CD2PHE49721.45252.22159.9571.009.30ATOM2617CE1PHE49720.06853.23257.7371.0011.14ATOM2618CE2PHE49720.83653.48160.0121.0010.69ATOM2619CZPHE49720.14853.98158.8931.009.81ATOM2620CPHE49723.12448.28857.3521.0016.73ATOM2621OPHE49724.12748.40856.6361.0014.67ATOM2622NPHE49822.84747.18458.0531.0019.32ATOM2624CAPHE49823.73846.02158.1501.0024.72ATOM2625CBPHE49823.13845.04459.2101.0028.15ATOM2626CGPHE49823.69143.63759.1891.0029.02ATOM2627CD1PHE49825.04643.39359.1651.0032.59ATOM2628CD2PHE49822.82442.54959.2741.0034.85ATOM2629CE1PHE49825.54742.07759.2271.0033.04ATOM2630CE2PHE49823.29841.23159.3381.0032.20ATOM2631CZPHE49824.67041.00359.3131.0035.12ATOM2632CPHE49823.91445.34856.7971.0026.82ATOM2633OPHE49825.03645.09356.3581.0027.45ATOM2634NTHR49922.79545.07456.1301.0028.64ATOM2636CATHR49922.82044.38754.8441.0032.01ATOM2637CBTHR49921.40943.88754.4101.0031.10ATOM2638OG1THR49920.47144.96154.4521.0033.42ATOM2640CG2THR49920.92542.81155.3401.0032.06ATOM2641CTHR49923.46445.19353.7361.0034.11ATOM2642OTHR49923.68644.67752.6481.0036.15ATOM2643NALA50023.78146.45454.0261.0035.54ATOM2645CAALA50024.41747.34653.0621.0037.58ATOM2646CBALA50023.80848.74453.1521.0037.42ATOM2647CALA50025.92047.40953.3431.0038.52ATOM2648OALA50026.74647.37752.4111.0039.26ATOM2649NTHR50126.27847.51654.6251.0037.64ATOM2651CATHR50127.68447.55655.0161.0038.55ATOM2652CBTHR50127.89848.23756.4161.0038.57ATOM2653OG1THR50127.37347.41057.4661.0034.01ATOM2655CG2THR50127.24149.62656.4651.0036.76ATOM2656CTHR50128.23646.11955.0471.0039.81ATOM2657OTHR50127.71445.26054.2891.0040.00ATOM2658OTTHR50129.16645.85455.8481.0040.98ATOM2659OH2TIP121.60729.80874.6731.0013.25ATOM2662OH2TIP616.48132.96474.7731.008.18ATOM2665OH2TIP724.34568.86870.4681.008.60ATOM2668OH2TIP83.80016.87894.8951.008.12ATOM2671OH2TIP918.12262.11579.6181.009.07ATOM2674OH2TIP1016.78062.09162.3201.0017.42ATOM2677OH2TIP1125.04650.59780.0161.003.72ATOM2680OH2TIP1226.57731.80875.3421.007.12ATOM2683OH2TIP1325.26221.52476.9741.007.12ATOM2686OH2TIP143.75051.83276.1371.0013.69ATOM2689OH2TIP1532.76340.03677.5071.0022.70ATOM2692OH2TIP1623.03520.54678.0421.0013.17ATOM2695OH2TIP177.60453.99763.8571.0020.48ATOM2698OH2TIP1828.10456.40174.6091.0012.66ATOM2701OH2TIP1922.06718.83082.2211.0013.82ATOM2704OH2TIP2013.31034.31276.7741.008.87ATOM2707OH2TIP217.11957.296104.3321.007.40ATOM2710OH2TIP2235.61544.42279.5951.0021.54ATOM2713OH2TIP238.61165.58168.7781.0013.66ATOM2716OH2TIP2422.33428.24479.1401.009.70ATOM2719OH2TIP2514.00269.19773.5401.0021.31ATOM2722OH2TIP2613.64555.62479.4261.0011.16ATOM2725OH2TIP274.29154.61967.0271.0014.97ATOM2728OH2TIP286.64845.17267.9461.0011.87ATOM2731OH2TIP2924.61778.61373.8031.007.20ATOM2734OH2TIP3030.10559.80672.3751.0022.68ATOM2737OH2TIP3125.90623.63378.4741.0014.97ATOM2740OH2TIP323.15056.88267.8841.0018.06ATOM2743OH2TIP336.45252.07370.0771.0023.60ATOM2746OH2TIP3425.99970.63771.7701.0016.40ATOM2749OH2TIP3530.43941.01681.5781.008.11ATOM2752OH2TIP3613.10171.53772.3231.0014.42ATOM2755OH2TIP3729.38817.92680.8251.0023.02ATOM2758OH2TIP3835.88738.78374.4981.0023.64ATOM2761OH2TIP3929.56566.02974.8891.0020.03ATOM2764OH2TIP4016.39652.68684.6221.0015.35ATOM2767OH2TIP414.03843.99985.6481.0013.56ATOM2770OH2TIP4229.89558.35074.4701.0012.85ATOM2773OH2TIP4316.00620.02180.0321.0017.93ATOM2776OH2TIP444.72647.65374.9931.0023.30ATOM2779OH2TIP4515.08276.73676.2731.0014.21ATOM2782OH2TIP466.21259.954101.1851.0014.52ATOM2785OH2TIP4714.03845.94683.5861.0010.46ATOM2788OH2TIP4814.03525.01781.2281.0029.03ATOM2791OH2TIP4910.65240.73267.3761.0010.79ATOM2794OH2TIP5033.26142.02662.9171.0019.02ATOM2797OH2TIP516.59957.99376.9061.0015.26ATOM2800OH2TIP536.15657.37465.5511.0027.15ATOM2803OH2TIP5417.64453.00180.6981.0014.74ATOM2806OH2TIP5511.43333.37669.3891.0022.38ATOM2809OH2TIP5612.86336.16579.3021.0028.40ATOM2812OH2TIP5739.99643.53277.5561.0030.23ATOM2815OH2TIP583.10818.09292.5661.0023.01ATOM2818OH2TIP5913.40023.82595.2151.0015.83ATOM2821OH2TIP6012.14438.12066.0811.0028.53ATOM2824OH2TIP6124.48867.38874.3691.0019.91ATOM2827OH2TIP6243.44740.28677.5191.0023.20ATOM2830OH2TIP631.18721.662100.3011.0025.85ATOM2833OH2TIP6411.26866.56368.3041.0018.84ATOM2836OH2TIP654.56048.31166.9371.0030.17ATOM2839OH2TIP6623.89529.20676.8381.0021.66ATOM2842OH2TIP6713.77573.91473.7211.0015.70ATOM2845OH2TIP6815.31354.44381.5421.0019.77ATOM2848OH2TIP6935.47454.86072.4711.0031.09ATOM2851OH2TIP7025.66752.89257.9481.0045.86ATOM2854OH2TIP7114.67945.56156.7991.0023.99ATOM2857OH2TIP7324.49826.19578.5081.0045.19ATOM2860OH2TIP7417.84334.15599.8661.0021.03ATOM2863OH2TIP7629.87833.43698.1721.0051.49ATOM2866OH2TIP7726.14272.93570.5921.0014.89ATOM2869OH2TIP7812.08733.78480.1251.0015.78ATOM2872OH2TIP7929.07062.49872.1461.0011.81ATOM2875OH2TIP8026.76265.65974.2191.0015.76ATOM2878OH2TIP8127.24419.85078.0291.0021.65ATOM2881OH2TIP8229.14036.79782.3741.0017.60ATOM2884OH2TIP8418.79652.52183.1231.0018.72ATOM2887OH2TIP8527.25124.54194.3701.0025.70ATOM2890OH2TIP86−1.54521.255100.3401.0017.73ATOM2893OH2TIP8715.83735.644101.4821.0027.51ATOM2896OH2TIP8834.28438.01876.5641.0026.44ATOM2899OH2TIP8924.21374.30176.7211.0026.05ATOM2902OH2TIP9013.03722.46479.5771.0020.22ATOM2905OH2TIP919.76752.39079.4571.0018.86ATOM2908OH2TIP9220.23871.13985.1121.0019.98ATOM2911OH2TIP934.59959.49177.6681.0022.03ATOM2914OH2TIP9410.44858.86764.3091.0037.46ATOM2917OH2TIP9517.15052.06187.3121.0028.30ATOM2920OH2TIP9614.94419.29888.3581.0023.01ATOM2923OH2TIP9822.60631.97772.5851.0030.76ATOM2926OH2TIP9916.38946.09785.7481.0031.74ATOM2929OH2TIP10032.46760.04771.0691.0022.28ATOM2932OH2TIP10112.57044.84699.2911.0024.56ATOM2935OH2TIP10215.46538.546102.2631.0023.51ATOM2938OH2TIP103−2.14721.19094.4091.0034.08ATOM2941OH2TIP10423.41243.12393.9861.0020.69ATOM2944OH2TIP10632.27563.54269.2591.0035.11ATOM2947OH2TIP10927.64129.16975.5501.0042.12ATOM2950OH2TIP11034.28832.15291.9321.0035.49ATOM2953OH2TIP1115.81250.21263.2491.0019.89ATOM2956OH2TIP1128.16828.07292.3741.0026.50ATOM2959OH2TIP11411.90121.45695.3731.0035.24ATOM2962OH2TIP115−5.84020.01193.2871.0034.92ATOM2965OH2TIP11634.33749.04360.7401.0024.03ATOM2968OH2TIP11715.41340.10191.3641.0015.29ATOM2971OH2TIP11913.00530.66072.1271.0031.18ATOM2974OH2TIP12029.15070.91470.7141.0037.66ATOM2977OH2TIP1216.28334.77676.0591.0018.99ATOM2980OH2TIP12226.18475.06874.8891.0033.22ATOM2983OH2TIP12340.35738.87269.5101.0042.15ATOM2986OH2TIP12524.27025.65695.5081.0023.81ATOM2989OH2TIP12626.87726.80273.5171.0025.85ATOM2992OH2TIP12734.77935.87370.7231.0029.26ATOM2995OH2TIP13323.18758.75984.2971.0026.34ATOM2998OH2TIP13423.57654.42385.6281.0037.02ATOM3001OH2TIP13619.45559.32289.1811.0038.92ATOM3004OH2TIP13711.69659.60287.6961.0032.60ATOM3007OH2TIP13812.63669.53076.5841.0037.94ATOM3010OH2TIP14026.61328.11377.8161.0025.26ATOM3013OH2TIP14227.81861.28862.7781.0030.40ATOM3016OH2TIP1433.20649.85671.3711.0042.17ATOM3019OH2TIP1462.53452.63367.9631.0043.02ATOM3022OH2TIP14725.57746.46095.0881.0033.95ATOM3025OH2TIP1499.75951.94189.5361.0035.56ATOM3028OH2TIP15012.75231.55274.9941.0027.35ATOM3031OH2TIP15112.09329.31575.9721.0025.75ATOM3034OH2TIP15221.84259.02687.2811.0031.48ATOM3037OH2TIP15311.27044.33557.6951.0027.59ATOM3040OH2TIP15414.53959.95488.0251.0030.50ATOM3043OH2TIP1564.27228.08096.0251.0047.65ATOM3046OH2TIP15717.85942.05392.1961.0029.57ATOM3049OH2TIP15822.64741.34983.2631.0039.70ATOM3052OH2TIP15911.32246.62390.7161.0031.92ATOM3055OH2TIP1612.71252.38389.7101.0033.22ATOM3058OH2TIP1621.28752.86787.1161.0044.83ATOM3061OH2TIP16527.00263.57286.9231.0029.86ATOM3064OH2TIP16616.41264.18168.0521.0015.25ATOM3067OH2TIP1676.51817.91994.6251.0022.60ATOM3070OH2TIP1683.23656.79674.1901.0024.04ATOM3073OH2TIP17022.85345.90885.2831.0031.68ATOM3076OH2TIP17123.84531.72074.9301.0024.61ATOM3079OH2TIP17312.17362.93461.1431.0035.38ATOM3082OH2TIP1747.57321.57791.1131.0025.92ATOM3085OH2TIP1756.40834.86593.5391.0025.00ATOM3088OH2TIP1766.87944.08690.1361.0052.52ATOM3091OH2TIP1780.61545.29971.5261.0033.57ATOM3094OH2TIP18220.19939.53693.6721.0032.42ATOM3097OH2TIP183−0.76350.85682.2921.0042.39ATOM3100OH2TIP18834.51925.55192.0811.0043.60ATOM3103OH2TIP18933.40956.36179.2811.0022.55ATOM3106OH2TIP19235.52952.14676.1231.0033.38ATOM3109OH2TIP1988.14334.00571.7741.0035.46ATOM3112OH2TIP20511.39537.97880.1751.0052.83ATOM3115OH2TIP20613.56838.792104.1531.0043.36ATOM3118OH2TIP20928.67452.94257.8171.0043.27ATOM3121OH2TIP21027.34125.58077.0941.0040.43ATOM3124OH2TIP21133.89535.70078.5521.0031.26ATOM3127OH2TIP21336.03941.47362.9831.0036.60ATOM3130OH2TIP2153.11432.25785.9501.0040.38ATOM3133OH2TIP21629.19619.50186.3111.0027.87ATOM3136OH2TIP2171.73438.94080.2741.0029.80ATOM3139OH2TIP21813.81567.08676.8381.0049.80ATOM3142OH2TIP2196.22943.09187.7141.0046.16ATOM3145OH2TIP22115.41051.94490.0861.0036.89ATOM3148OH2TIP2257.64532.69469.2991.0049.48ATOM3151OH2TIP23238.23543.95279.3091.0034.31ATOM3154OH2TIP23316.67367.60566.7361.0042.44ATOM3157OH2TIP23831.69533.92965.3631.0037.59ATOM3160OH2TIP23939.13648.31975.7561.0030.95ATOM3163OH2TIP24613.76642.28591.1931.0037.06ATOM3166OH2TIP25010.83020.80592.9241.0042.77ATOM3169OH2TIP25315.39718.71483.7681.0052.46ATOM3172OH2TIP90420.77541.09187.4691.0026.19ATOM3175OH2TIP90514.25945.12690.4421.0033.83ATOM3178OH2TIP90619.91246.87090.9411.0032.08ATOM3181OH2TIP90719.47544.74688.1401.0034.56ATOM3184OH2TIP90823.00745.71292.0561.0027.28ATOM3187OH2TIP90916.24339.30184.2681.0013.29ATOM3190OH2TIP91030.67339.06883.1621.0020.89ATOM3193OH2TIP91132.86940.49479.8551.0030.39ATOM3196OH2TIP91234.06733.74875.5341.0031.62ATOM3199SSO490120.21132.72969.3651.0011.83ATOM3200O1SO490119.91732.05570.5761.008.25ATOM3201O2SO490118.98833.15468.7931.0011.09ATOM3202O3SO490121.07933.85969.6641.009.69ATOM3203O4SO490120.89131.90368.4831.008.29ATOM3204SSO490239.41637.84773.3931.0033.31ATOM3205O1SO490238.53236.72073.2761.0036.88ATOM3206O2SO490240.31537.84672.2951.0030.80ATOM3207O3SO490238.62539.03373.4151.0032.33ATOM3208O4SO490240.10337.74274.6361.0030.64ATOM3209SSO490314.90366.49781.0521.0045.64ATOM3210O1SO490314.61165.31480.3251.0045.40ATOM3211O2SO490313.85167.46680.8761.0039.04ATOM3212O3SO490315.05666.12382.4491.0041.16ATOM3213O4SO490316.08767.03980.5131.0042.64ATOM3214C1TES125.40637.40983.7401.0018.65ATOM3215N2TES126.30336.89382.8761.0017.59ATOM3216C3TES126.06335.91482.0501.0016.60ATOM3217N4TES124.78935.33982.0661.0017.34ATOM3218C5TES123.88035.86082.9351.0017.94ATOM3219C6TES124.12436.95283.8431.0019.34ATOM3220C8TES123.43337.62984.8481.0020.90ATOM3221N9TES124.29538.54885.3511.0023.47ATOM3222N10TES125.52638.40284.6581.0020.41ATOM3223C11TES122.06437.41685.3601.0024.35ATOM3224C12TES121.55936.09485.6451.0021.75ATOM3225C13TES120.24535.93686.1471.0019.80ATOM3226C14TES119.45137.07786.3451.0021.04ATOM3227C15TES119.91338.37686.1051.0024.23ATOM3228C16TES121.24538.55185.6001.0024.86ATOM3229CL2TES117.84336.69386.9191.0024.39ATOM3230C22TES126.72339.23385.0031.0021.28ATOM3231C23TES127.08640.18683.8491.0022.71ATOM3232C27TES127.85938.37885.3811.0019.02ATOM3233C31TES126.32740.09286.2671.0020.75ATOM3234N35TES122.68435.17082.8041.0017.59ATOM3235H1TES124.16939.20186.1411.0020.00ATOM3236H2TES121.91735.54383.3601.0020.00ATOM3237H3TES122.70734.42182.2351.0020.00END

[0232]

4

TABLE 2

Coordinates of Lck bound with AMP-PNP

Atom

Type
Res
#
X
Y
Z
Occ
B

ATOM
1
CB
LYS
231
1.530
26.649
88.787
1.00
37.83

ATOM
2
CG
LYS
231
0.717
26.584
87.564
1.00
37.44

ATOM
3
CD
LYS
231
1.283
25.595
86.606
1.00
38.84

ATOM
4
CE
LYS
231
0.371
25.484
85.401
1.00
43.58

ATOM
5
NZ
LYS
231
0.880
24.421
84.468
1.00
44.98

ATOM
9
C
LYS
231
1.837
27.516
91.023
1.00
35.81

ATOM
10
O
LYS
231
2.856
28.159
91.228
1.00
33.83

ATOM
13
N
LYS
231
1.192
29.091
89.212
1.00
39.11

ATOM
15
CA
LYS
231
1.048
27.708
89.771
1.00
36.90

ATOM
16
N
PRO
232
1.341
26.653
91.909
1.00
35.23

ATOM
17
CD
PRO
232
0.047
25.938
91.884
1.00
36.98

ATOM
18
CA
PRO
232
2.077
26.404
93.149
1.00
32.73

ATOM
19
CB
PRO
232
1.147
25.423
93.888
1.00
32.14

ATOM
20
CG
PRO
232
0.326
24.779
92.787
1.00
35.96

ATOM
21
C
PRO
232
3.482
25.814
92.739
1.00
31.15

ATOM
22
O
PRO
232
3.577
25.249
91.649
1.00
27.60

ATOM
23
N
TRP
233
4.559
26.010
93.532
1.00
31.09

ATOM
25
CA
TRP
233
5.943
25.510
93.202
1.00
30.95

ATOM
26
CB
TRP
233
7.057
25.851
94.244
1.00
28.05

ATOM
27
CG
TRP
233
6.983
25.142
95.538
1.00
25.65

ATOM
28
CD2
TRP
233
7.393
23.796
95.821
1.00
24.06

ATOM
29
CE2
TRP
233
7.102
23.557
97.170
1.00
24.26

ATOM
30
CE3
TRP
233
7.972
22.773
95.049
1.00
21.80

ATOM
31
CD1
TRP
233
6.491
25.638
96.677
1.00
26.39

ATOM
32
NE1
TRP
233
6.552
24.700
97.673
1.00
26.21

ATOM
34
CZ2
TRP
233
7.361
22.322
97.800
1.00
24.85

ATOM
35
CZ3
TRP
233
8.232
21.532
95.675
1.00
20.36

ATOM
36
CH2
TRP
233
7.922
21.324
97.044
1.00
19.92

ATOM
37
C
TRP
233
6.015
24.011
92.831
1.00
31.74

ATOM
38
O
TRP
233
6.824
23.632
91.973
1.00
30.34

ATOM
39
N
TRP
234
5.101
23.199
93.409
1.00
33.48

ATOM
41
CA
TRP
234
5.018
21.725
93.154
1.00
33.75

ATOM
42
CB
TRP
234
4.216
20.921
94.207
1.00
31.16

ATOM
43
CG
TRP
234
2.776
21.333
94.488
1.00
28.34

ATOM
44
CD2
TRP
234
2.398
22.201
95.524
1.00
26.29

ATOM
45
CE2
TRP
234
0.986
22.293
95.534
1.00
26.45

ATOM
46
CE3
TRP
234
3.139
22.935
96.456
1.00
26.00

ATOM
47
CD1
TRP
234
1.607
20.920
93.881
1.00
26.78

ATOM
48
NE1
TRP
234
0.539
21.498
94.515
1.00
27.76

ATOM
50
CZ2
TRP
234
0.295
23.095
96.450
1.00
27.03

ATOM
51
CZ3
TRP
234
2.474
23.722
97.353
1.00
28.64

ATOM
52
CH2
TRP
234
1.051
23.802
97.354
1.00
27.62

ATOM
53
C
TRP
234
4.401
21.432
91.833
1.00
34.53

ATOM
54
O
TRP
234
4.297
20.267
91.391
1.00
33.15

ATOM
55
N
GLU
235
3.889
22.479
91.240
1.00
36.00

ATOM
57
CA
GLU
235
3.290
22.335
89.953
1.00
38.26

ATOM
58
CB
GLU
235
1.819
22.698
90.017
1.00
38.59

ATOM
59
CG
GLU
235
0.981
21.786
90.873
1.00
39.84

ATOM
60
CD
GLU
235
−0.510
21.994
90.638
1.00
42.45

ATOM
61
OE1
GLU
235
−0.852
22.819
89.772
1.00
42.87

ATOM
62
OE2
GLU
235
−1.345
21.334
91.302
1.00
43.99

ATOM
63
C
GLU
235
4.016
23.215
88.938
1.00
39.64

ATOM
64
O
GLU
235
3.917
22.999
87.735
1.00
38.07

ATOM
65
N
ASP
236
4.736
24.216
89.429
1.00
42.18

ATOM
67
CA
ASP
236
5.441
25.112
88.536
1.00
43.34

ATOM
68
CB
ASP
236
6.114
26.227
89.346
1.00
45.25

ATOM
69
CG
ASP
236
6.619
27.343
88.470
1.00
47.09

ATOM
70
OD1
ASP
236
5.786
28.160
88.049
1.00
52.49

ATOM
71
OD2
ASP
236
7.821
27.369
88.144
1.00
47.48

ATOM
72
C
ASP
236
6.478
24.368
87.662
1.00
42.58

ATOM
73
O
ASP
236
7.409
23.729
88.171
1.00
44.15

ATOM
74
N
GLU
237
6.365
24.526
86.356
1.00
38.06

ATOM
76
CA
GLU
237
7.300
23.894
85.439
1.00
36.59

ATOM
77
CB
GLU
237
6.800
24.046
84.009
1.00
36.46

ATOM
78
CG
GLU
237
6.123
25.389
83.715
1.00
43.75

ATOM
79
CD
GLU
237
4.751
25.561
84.434
1.00
46.78

ATOM
80
OE1
GLU
237
3.951
24.594
84.433
1.00
47.53

ATOM
81
OE2
GLU
237
4.538
26.619
85.093
1.00
47.26

ATOM
82
C
GLU
237
8.765
24.357
85.526
1.00
36.28

ATOM
83
O
GLU
237
9.645
23.675
85.022
1.00
36.06

ATOM
84
N
TRP
238
9.022
25.506
86.153
1.00
35.21

ATOM
86
CA
TRP
238
10.378
26.006
86.255
1.00
31.93

ATOM
87
CB
TRP
238
10.415
27.504
86.030
1.00
28.95

ATOM
88
CG
TRP
238
10.089
27.881
84.648
1.00
24.79

ATOM
89
CD2
TRP
238
8.795
28.214
84.154
1.00
25.38

ATOM
90
CE2
TRP
238
8.955
28.675
82.835
1.00
26.85

ATOM
91
CE3
TRP
238
7.518
28.167
84.703
1.00
21.63

ATOM
92
CD1
TRP
238
10.963
28.112
83.628
1.00
23.77

ATOM
93
NE1
TRP
238
10.297
28.600
82.543
1.00
26.71

ATOM
95
CZ2
TRP
238
7.884
29.088
82.060
1.00
30.52

ATOM
96
CZ3
TRP
238
6.468
28.567
83.946
1.00
26.61

ATOM
97
CH2
TRP
238
6.639
29.024
82.633
1.00
30.73

ATOM
98
C
TRP
238
11.090
25.653
87.544
1.00
31.26

ATOM
99
O
TRP
238
12.303
25.692
87.607
1.00
30.87

ATOM
100
N
GLU
239
10.341
25.230
88.553
1.00
30.15

ATOM
102
CA
GLU
239
10.937
24.880
89.825
1.00
29.70

ATOM
103
CB
GLU
239
9.813
24.679
90.828
1.00
31.38

ATOM
104
CG
GLU
239
10.070
25.020
92.294
1.00
38.59

ATOM
105
CD
GLU
239
10.220
26.411
92.781
1.00
44.86

ATOM
106
OE1
GLU
239
10.022
27.301
92.330
1.00
49.26

ATOM
107
OE2
GLU
239
10.944
26.554
93.684
1.00
46.75

ATOM
108
C
GLU
239
11.820
23.606
89.719
1.00
29.69

ATOM
109
O
GLU
239
11.423
22.617
89.105
1.00
31.42

ATOM
110
N
VAL
240
13.029
23.667
90.268
1.00
26.63

ATOM
112
CA
VAL
240
13.895
22.515
90.225
1.00
24.23

ATOM
113
CB
VAL
240
15.051
22.623
89.200
1.00
24.53

ATOM
114
CG1
VAL
240
14.515
22.722
87.795
1.00
22.09

ATOM
115
CG2
VAL
240
16.014
23.755
89.573
1.00
23.29

ATOM
116
C
VAL
240
14.536
22.314
91.560
1.00
23.64

ATOM
117
O
VAL
240
14.713
23.257
92.343
1.00
22.01

ATOM
118
N
PRO
241
14.831
21.056
91.875
1.00
22.17

ATOM
119
CD
PRO
241
14.386
19.838
91.140
1.00
21.25

ATOM
120
CA
PRO
241
15.470
20.731
93.144
1.00
20.23

ATOM
121
CB
PRO
241
15.609
19.216
93.056
1.00
19.32

ATOM
122
CG
PRO
241
14.392
18.797
92.217
1.00
18.66

ATOM
123
C
PRO
241
16.844
21.447
93.139
1.00
21.05

ATOM
124
O
PRO
241
17.469
21.530
92.084
1.00
20.90

ATOM
125
N
ARG
242
17.309
21.945
94.280
1.00
20.76

ATOM
127
CA
ARG
242
18.578
22.668
94.334
1.00
23.13

ATOM
128
CB
ARG
242
18.785
23.378
95.671
1.00
22.78

ATOM
129
CG
ARG
242
19.866
24.477
95.614
1.00
25.41

ATOM
130
CD
ARG
242
20.298
24.961
96.983
1.00
27.06

ATOM
131
NE
ARG
242
19.164
25.381
97.805
1.00
33.41

ATOM
133
CZ
ARG
242
18.606
26.587
97.755
1.00
30.59

ATOM
134
NH1
ARG
242
19.084
27.491
96.913
1.00
29.32

ATOM
137
NH2
ARG
242
17.573
26.883
98.537
1.00
28.47

ATOM
140
C
ARG
242
19.771
21.756
94.062
1.00
25.38

ATOM
141
O
ARG
242
20.826
22.221
93.588
1.00
24.61

ATOM
142
N
GLU
243
19.579
20.460
94.289
1.00
25.40

ATOM
144
CA
GLU
243
20.616
19.463
94.059
1.00
25.43

ATOM
145
CB
GLU
243
20.187
18.071
94.594
1.00
27.61

ATOM
146
CG
GLU
243
20.021
17.995
96.094
1.00
34.52

ATOM
147
CD
GLU
243
18.757
18.664
96.591
1.00
37.01

ATOM
148
OE1
GLU
243
17.840
18.855
95.774
1.00
35.85

ATOM
149
OE2
GLU
243
18.673
18.959
97.802
1.00
41.46

ATOM
150
C
GLU
243
20.935
19.324
92.577
1.00
24.43

ATOM
151
O
GLU
243
21.954
18.771
92.215
1.00
24.98

ATOM
152
N
THR
244
20.064
19.801
91.708
1.00
23.29

ATOM
154
CA
THR
244
20.327
19.671
90.282
1.00
23.34

ATOM
155
CB
THR
244
19.039
19.875
89.465
1.00
24.16

ATOM
156
OG1
THR
244
18.630
21.238
89.603
1.00
21.58

ATOM
158
CG2
THR
244
17.915
18.920
89.940
1.00
22.81

ATOM
159
C
THR
244
21.357
20.705
89.811
1.00
21.94

ATOM
160
O
THR
244
21.788
20.701
88.666
1.00
21.51

ATOM
161
N
LEU
245
21.789
21.564
90.722
1.00
20.26

ATOM
163
CA
LEU
245
22.690
22.632
90.349
1.00
20.18

ATOM
164
CB
LEU
245
22.052
24.023
90.633
1.00
18.93

ATOM
165
CG
LEU
245
20.724
24.367
89.916
1.00
16.80

ATOM
166
CD1
LEU
245
20.043
25.508
90.638
1.00
15.50

ATOM
167
CD2
LEU
245
20.982
24.715
88.479
1.00
15.07

ATOM
168
C
LEU
245
24.036
22.623
91.016
1.00
21.46

ATOM
169
O
LEU
245
24.169
22.329
92.198
1.00
24.16

ATOM
170
N
LYS
246
25.051
22.993
90.254
1.00
23.10

ATOM
172
CA
LYS
246
26.392
23.085
90.808
1.00
23.12

ATOM
173
CB
LYS
246
27.313
22.016
90.237
1.00
24.89

ATOM
174
CG
LYS
246
28.652
22.045
90.899
1.00
30.08

ATOM
175
CD
LYS
246
29.686
21.303
90.095
1.00
36.11

ATOM
176
CE
LYS
246
31.042
21.386
90.774
1.00
40.50

ATOM
177
NZ
LYS
246
32.093
20.897
89.831
1.00
45.53

ATOM
181
C
LYS
246
26.934
24.456
90.410
1.00
22.14

ATOM
182
O
LYS
246
27.057
24.716
89.224
1.00
23.00

ATOM
183
N
LEU
247
27.241
25.324
91.381
0.60
20.92

ATOM
185
CA
LEU
247
27.773
26.656
91.056
0.60
18.66

ATOM
186
CB
LEU
247
27.342
27.740
92.060
0.60
14.86

ATOM
187
CG
LEU
247
25.951
27.816
92.744
0.60
10.67

ATOM
188
CD1
LEU
247
25.806
29.118
93.471
0.60
11.61

ATOM
189
CD2
LEU
247
24.758
27.644
91.820
0.60
10.00

ATOM
190
C
LEU
247
29.284
26.537
90.968
0.60
19.26

ATOM
191
O
LEU
247
29.980
26.146
91.902
0.60
17.61

ATOM
192
N
VAL
248
29.785
26.861
89.793
1.00
21.68

ATOM
194
CA
VAL
248
31.188
26.704
89.567
1.00
25.27

ATOM
195
CB
VAL
248
31.398
25.950
88.256
1.00
23.58

ATOM
196
CG1
VAL
248
32.861
25.815
87.968
1.00
25.11

ATOM
197
CG2
VAL
248
30.759
24.565
88.369
1.00
26.69

ATOM
198
C
VAL
248
32.074
27.942
89.644
1.00
25.79

ATOM
199
O
VAL
248
33.111
27.907
90.275
1.00
26.29

ATOM
200
N
GLU
249
31.646
29.054
89.079
1.00
27.89

ATOM
202
CA
GLU
249
32.473
30.247
89.039
1.00
27.88

ATOM
203
CB
GLU
249
33.126
30.296
87.632
1.00
31.84

ATOM
204
CG
GLU
249
33.990
31.504
87.319
1.00
37.38

ATOM
205
CD
GLU
249
34.481
31.683
85.847
1.00
41.34

ATOM
206
OE1
GLU
249
34.082
31.024
84.840
1.00
43.62

ATOM
207
OE2
GLU
249
35.291
32.617
85.738
1.00
44.93

ATOM
208
C
GLU
249
31.600
31.510
89.332
1.00
28.46

ATOM
209
O
GLU
249
30.566
31.718
88.722
1.00
26.68

ATOM
210
N
ARG
250
32.005
32.335
90.296
1.00
28.83

ATOM
212
CA
ARG
250
31.226
33.534
90.635
1.00
28.81

ATOM
213
CB
ARG
250
31.476
33.970
92.113
1.00
30.75

ATOM
214
CG
ARG
250
30.613
35.195
92.619
1.00
35.96

ATOM
215
CD
ARG
250
31.015
35.934
93.982
1.00
41.14

ATOM
216
NE
ARG
250
32.500
35.855
94.222
1.00
50.47

ATOM
218
CZ
ARG
250
33.085
35.446
95.148
1.00
53.39

ATOM
219
NH1
ARG
250
32.207
35.230
95.611
1.00
55.04

ATOM
222
NH2
ARG
250
34.231
35.113
95.622
1.00
56.01

ATOM
225
C
ARG
250
31.543
34.651
89.635
1.00
27.28

ATOM
226
O
ARG
250
32.696
35.018
89.404
1.00
27.02

ATOM
227
N
LEU
251
30.514
35.114
88.953
1.00
24.93

ATOM
229
CA
LEU
251
30.719
36.123
87.965
1.00
24.60

ATOM
230
CB
LEU
251
29.761
35.937
86.754
1.00
22.78

ATOM
231
CG
LEU
251
29.636
34.579
85.991
1.00
21.71

ATOM
232
CD1
LEU
251
28.622
34.418
84.848
1.00
22.72

ATOM
233
CD2
LEU
251
31.012
34.340
85.428
1.00
20.58

ATOM
234
C
LEU
251
30.502
37.514
88.575
1.00
25.88

ATOM
235
O
LEU
251
31.101
38.489
88.127
1.00
26.29

ATOM
236
N
GLY
252
29.687
37.579
89.619
1.00
25.94

ATOM
238
CA
GLY
252
29.428
38.861
90.223
1.00
25.27

ATOM
239
C
GLY
252
28.814
38.745
91.589
1.00
27.18

ATOM
240
O
GLY
252
28.179
37.737
91.904
1.00
27.65

ATOM
241
N
ALA
253
29.132
39.722
92.433
1.00
26.87

ATOM
243
CA
ALA
253
28.619
39.799
93.789
1.00
28.35

ATOM
244
CB
ALA
253
29.645
39.354
94.803
1.00
28.60

ATOM
245
C
ALA
253
28.228
41.244
94.039
1.00
28.94

ATOM
246
O
ALA
253
28.929
42.159
93.662
1.00
27.71

ATOM
247
N
GLY
254
27.070
41.433
94.651
1.00
30.03

ATOM
249
CA
GLY
254
26.590
42.763
94.929
1.00
27.78

ATOM
250
C
GLY
254
25.759
42.786
96.191
1.00
28.67

ATOM
251
O
GLY
254
25.642
41.805
96.946
1.00
27.16

ATOM
252
N
GLN
255
25.172
43.944
96.404
1.00
30.78

ATOM
254
CA
GLN
255
24.330
44.191
97.568
1.00
35.15

ATOM
255
CB
GLN
255
23.782
45.613
97.465
1.00
35.64

ATOM
256
CG
GLN
255
23.052
46.111
98.684
1.00
36.07

ATOM
257
CD
GLN
255
22.563
47.548
98.502
1.00
38.63

ATOM
258
OE1
GLN
255
22.941
48.261
97.544
1.00
36.80

ATOM
259
NE2
GLN
255
21.672
47.957
99.392
1.00
40.92

ATOM
262
C
GLN
255
23.145
43.199
97.698
1.00
37.01

ATOM
263
O
GLN
255
22.739
42.828
98.808
1.00
38.82

ATOM
264
N
PHE
256
22.618
42.734
96.575
1.00
35.08

ATOM
266
CA
PHE
256
21.452
41.858
96.652
1.00
34.39

ATOM
267
CB
PHE
256
20.399
42.381
95.704
1.00
33.93

ATOM
268
CG
PHE
256
20.120
43.841
95.887
1.00
35.82

ATOM
269
CD1
PHE
256
19.590
44.310
97.084
1.00
37.69

ATOM
270
CD2
PHE
256
20.417
44.751
94.882
1.00
37.17

ATOM
271
CE1
PHE
256
19.366
45.658
97.269
1.00
39.52

ATOM
272
CE2
PHE
256
20.190
46.117
95.065
1.00
37.23

ATOM
273
CZ
PHE
256
19.668
46.569
96.253
1.00
38.55

ATOM
274
C
PHE
256
21.690
40.393
96.391
1.00
35.30

ATOM
275
O
PHE
256
20.742
39.606
96.244
1.00
34.61

ATOM
276
N
GLY
257
22.957
40.020
96.287
1.00
35.29

ATOM
278
CA
GLY
257
23.243
38.632
96.046
1.00
33.59

ATOM
279
C
GLY
257
24.363
38.465
95.062
1.00
32.61

ATOM
280
O
GLY
257
25.185
39.363
94.849
1.00
33.22

ATOM
281
N
GLU
258
24.323
37.349
94.367
1.00
30.90

ATOM
283
CA
GLU
258
25.397
37.071
93.465
1.00
29.26

ATOM
284
CB
GLU
258
26.401
36.157
94.173
1.00
32.05

ATOM
285
CG
GLU
258
26.959
36.587
95.536
1.00
37.52

ATOM
286
CD
GLU
258
27.842
35.474
96.175
1.00
41.31

ATOM
287
OE1
GLU
258
27.699
34.261
95.888
1.00
44.11

ATOM
288
OE2
GLU
258
28.717
35.811
96.976
1.00
43.94

ATOM
289
C
GLU
258
24.958
36.383
92.171
1.00
26.26

ATOM
290
O
GLU
258
23.794
35.968
92.045
1.00
25.25

ATOM
291
N
VAL
259
25.878
36.354
91.209
0.77
22.42

ATOM
293
CA
VAL
259
25.746
35.693
89.893
0.77
22.25

ATOM
294
CB
VAL
259
25.768
36.645
88.669
0.77
21.14

ATOM
295
CG1
VAL
259
25.740
35.819
87.320
0.77
19.21

ATOM
296
CG2
VAL
259
24.592
37.543
88.746
0.77
20.54

ATOM
297
C
VAL
259
26.869
34.696
89.690
0.77
21.14

ATOM
298
O
VAL
259
28.041
35.005
89.827
0.77
19.78

ATOM
299
N
TRP
260
26.429
33.502
89.315
1.00
21.25

ATOM
301
CA
TRP
260
27.279
32.369
89.092
1.00
20.50

ATOM
302
CB
TRP
260
26.947
31.368
90.160
1.00
21.50

ATOM
303
CG
TRP
260
27.438
31.859
91.376
1.00
22.22

ATOM
304
CD2
TRP
260
28.564
31.372
92.069
1.00
23.17

ATOM
305
CE2
TRP
260
28.614
32.046
93.302
1.00
23.80

ATOM
306
CE3
TRP
260
29.537
30.393
91.791
1.00
24.27

ATOM
307
CD1
TRP
260
26.872
32.818
92.163
1.00
24.11

ATOM
308
NE1
TRP
260
27.573
32.931
93.336
1.00
22.67

ATOM
310
CZ2
TRP
260
29.594
31.773
94.274
1.00
27.01

ATOM
311
CZ3
TRP
260
30.514
30.117
92.748
1.00
25.33

ATOM
312
CH2
TRP
260
30.541
30.804
93.988
1.00
25.33

ATOM
313
C
TRP
260
27.186
31.645
87.789
1.00
20.66

ATOM
314
O
TRP
260
26.122
31.642
87.135
1.00
17.41

ATOM
315
N
MET
261
28.338
31.155
87.330
1.00
22.38

ATOM
317
CA
MET
261
28.302
30.271
86.172
1.00
22.42

ATOM
318
CB
MET
261
29.507
30.278
85.251
1.00
24.52

ATOM
319
CG
MET
261
29.443
29.097
84.252
1.00
26.58

ATOM
320
SD
MET
261
30.476
27.739
84.446
1.00
30.59

ATOM
321
CE
MET
261
29.455
26.614
84.399
1.00
32.94

ATOM
322
C
MET
261
28.214
28.899
86.802
1.00
21.77

ATOM
323
O
MET
261
28.940
28.571
87.748
1.00
22.16

ATOM
324
N
GLY
262
27.242
28.150
86.320
1.00
21.66

ATOM
326
CA
GLY
262
27.052
26.820
86.849
1.00
17.56

ATOM
327
C
GLY
262
26.566
25.840
85.828
1.00
19.07

ATOM
328
O
GLY
262
26.451
26.139
84.634
1.00
17.94

ATOM
329
N
TYR
263
26.303
24.646
86.348
1.00
18.76

ATOM
331
CA
TYR
263
25.796
23.497
85.560
1.00
18.48

ATOM
332
CB
TYR
263
26.866
22.398
85.444
1.00
16.81

ATOM
333
CG
TYR
263
28.033
22.802
84.624
1.00
19.76

ATOM
334
CD1
TYR
263
27.972
22.759
83.238
1.00
19.56

ATOM
335
CE1
TYR
263
29.010
23.209
82.469
1.00
23.28

ATOM
336
CD2
TYR
263
29.175
23.295
85.223
1.00
19.69

ATOM
337
CE2
TYR
263
30.247
23.745
84.467
1.00
21.11

ATOM
338
CZ
TYR
263
30.157
23.703
83.088
1.00
23.30

ATOM
339
OH
TYR
263
31.184
24.173
82.298
1.00
26.58

ATOM
341
C
TYR
263
24.531
22.867
86.172
1.00
17.60

ATOM
342
O
TYR
263
24.411
22.682
87.377
1.00
16.26

ATOM
343
N
TYR
264
23.585
22.583
85.298
1.00
20.34

ATOM
345
CA
TYR
264
22.347
21.915
85.695
1.00
22.16

ATOM
346
CB
TYR
264
21.151
22.594
85.035
1.00
21.31

ATOM
347
CG
TYR
264
19.877
21.798
85.192
1.00
23.68

ATOM
348
CD1
TYR
264
19.096
21.950
86.306
1.00
20.71

ATOM
349
CE1
TYR
264
17.928
21.188
86.481
1.00
23.19

ATOM
350
CD2
TYR
264
19.486
20.866
84.226
1.00
25.63

ATOM
351
CE2
TYR
264
18.327
20.092
84.386
1.00
25.62

ATOM
352
CZ
TYR
264
17.563
20.267
85.520
1.00
24.58

ATOM
353
OH
TYR
264
16.414
19.531
85.714
1.00
27.93

ATOM
355
C
TYR
264
22.483
20.458
85.193
1.00
20.81

ATOM
356
O
TYR
264
22.757
20.253
84.010
1.00
18.48

ATOM
357
N
ASN
265
22.239
19.493
86.097
1.00
21.28

ATOM
359
CA
ASN
265
22.364
18.007
85.828
1.00
21.74

ATOM
360
CB
ASN
265
21.200
17.448
85.009
1.00
22.19

ATOM
361
CG
ASN
265
19.870
17.305
85.774
1.00
24.59

ATOM
362
OD1
ASN
265
19.729
17.368
86.984
1.00
23.92

ATOM
363
ND2
ASN
265
18.837
17.117
84.962
1.00
25.24

ATOM
366
C
ASN
265
23.678
17.680
85.114
1.00
18.48

ATOM
367
O
ASN
265
23.726
16.939
84.110
1.00
19.13

ATOM
368
N
GLY
266
24.712
18.282
85.692
1.00
16.90

ATOM
370
CA
GLY
266
26.101
18.152
85.289
1.00
13.15

ATOM
371
C
GLY
266
26.539
18.642
83.944
1.00
11.08

ATOM
372
O
GLY
266
27.651
19.128
83.813
1.00
16.72

ATOM
373
N
HIS
267
25.661
18.613
82.964
0.49
8.78

ATOM
375
CA
HIS
267
26.045
18.997
81.629
0.49
8.54

ATOM
376
CB
HIS
267
25.636
17.878
80.655
0.49
7.49

ATOM
377
CG
HIS
267
26.316
16.573
80.920
0.49
6.75

ATOM
378
CD2
HIS
267
27.618
16.222
80.867
0.49
6.15

ATOM
379
ND1
HIS
267
25.626
15.438
81.294
0.49
5.87

ATOM
381
CE1
HIS
267
26.479
14.441
81.449
0.49
6.87

ATOM
382
NE2
HIS
267
27.692
14.892
81.202
0.49
9.37

ATOM
384
C
HIS
267
25.592
20.337
81.061
0.49
10.78

ATOM
385
O
HIS
267
26.192
20.829
80.109
0.49
6.89

ATOM
386
N
THR
268
24.576
20.949
81.652
1.00
15.33

ATOM
388
CA
THR
268
24.031
22.195
81.098
1.00
19.30

ATOM
389
CB
THR
268
22.481
22.144
81.017
1.00
22.06

ATOM
390
OG1
THR
268
22.131
20.956
80.294
1.00
20.10

ATOM
392
CG2
THR
268
21.922
23.393
80.235
1.00
18.68

ATOM
393
C
THR
268
24.486
23.467
81.759
1.00
16.30

ATOM
394
O
THR
268
24.114
23.738
82.876
1.00
15.99

ATOM
395
N
LYS
269
25.315
24.197
81.034
1.00
16.63

ATOM
397
CA
LYS
269
25.886
25.461
81.521
1.00
19.51

ATOM
398
CB
LYS
269
27.043
25.966
80.594
1.00
19.25

ATOM
399
CG
LYS
269
28.043
27.034
81.191
1.00
23.75

ATOM
400
CD
LYS
269
29.474
26.916
80.493
1.00
26.70

ATOM
401
CE
LYS
269
30.463
28.100
80.604
1.00
31.11

ATOM
402
NZ
LYS
269
31.737
27.815
79.807
1.00
32.76

ATOM
406
C
LYS
269
24.772
26.489
81.643
1.00
16.84

ATOM
407
O
LYS
269
23.996
26.713
80.736
1.00
15.56

ATOM
408
N
VAL
270
24.657
27.044
82.842
1.00
16.32

ATOM
410
CA
VAL
270
23.629
28.040
83.104
1.00
16.17

ATOM
411
CB
VAL
270
22.429
27.383
83.834
1.00
14.53

ATOM
412
CG1
VAL
270
21.785
26.336
82.951
1.00
14.57

ATOM
413
CG2
VAL
270
22.898
26.770
85.156
1.00
12.27

ATOM
414
C
VAL
270
24.148
29.162
84.005
1.00
16.24

ATOM
415
O
VAL
270
25.216
29.036
84.615
1.00
14.64

ATOM
416
N
ALA
271
23.411
30.271
84.052
1.00
16.15

ATOM
418
CA
ALA
271
23.758
31.380
84.957
1.00
17.09

ATOM
419
CB
ALA
271
23.518
32.713
84.259
1.00
16.89

ATOM
420
C
ALA
271
22.852
31.261
86.171
1.00
15.23

ATOM
421
O
ALA
271
21.674
30.947
85.996
1.00
15.43

ATOM
422
N
VAL
272
23.359
31.494
87.391
1.00
16.62

ATOM
424
CA
VAL
272
22.554
31.406
88.606
1.00
17.94

ATOM
425
CB
VAL
272
22.975
30.235
89.532
1.00
17.38

ATOM
426
CG1
VAL
272
22.120
30.200
90.800
1.00
13.54

ATOM
427
CG2
VAL
272
22.887
28.925
88.771
1.00
18.41

ATOM
428
C
VAL
272
22.630
32.686
89.422
1.00
20.75

ATOM
429
O
VAL
272
23.697
33.090
89.885
1.00
22.07

ATOM
430
N
LYS
273
21.497
33.335
89.600
1.00
22.94

ATOM
432
CA
LYS
273
21.501
34.571
90.378
1.00
23.64

ATOM
433
CB
LYS
273
20.729
35.642
89.606
1.00
24.86

ATOM
434
CG
LYS
273
20.744
37.112
90.077
1.00
30.01

ATOM
435
CD
LYS
273
19.453
37.572
89.439
1.00
34.96

ATOM
436
CE
LYS
273
19.213
38.982
89.008
1.00
36.43

ATOM
437
NZ
LYS
273
17.744
38.858
88.903
1.00
42.94

ATOM
441
C
LYS
273
20.855
34.209
91.695
1.00
20.45

ATOM
442
O
LYS
273
19.780
33.648
91.711
1.00
20.86

ATOM
443
N
SER
274
21.529
34.514
92.791
0.65
18.76

ATOM
445
CA
SER
274
21.021
34.171
94.098
0.65
19.42

ATOM
446
CB
SER
274
22.065
33.395
94.881
0.65
21.93

ATOM
447
OG
SER
274
23.236
34.180
95.068
0.65
27.20

ATOM
449
C
SER
274
20.678
35.410
94.865
0.65
21.38

ATOM
450
O
SER
274
21.346
36.432
94.773
0.65
19.86

ATOM
451
N
LEU
275
19.683
35.281
95.719
1.00
25.45

ATOM
453
CA
LEU
275
19.254
36.416
96.476
1.00
27.40

ATOM
454
CB
LEU
275
17.711
36.464
96.564
1.00
27.49

ATOM
455
CG
LEU
275
16.867
37.412
97.463
1.00
28.09

ATOM
456
CD1
LEU
275
16.942
38.885
97.101
1.00
25.93

ATOM
457
CD2
LEU
275
15.416
36.936
97.377
1.00
27.55

ATOM
458
C
LEU
275
19.907
36.445
97.833
1.00
27.78

ATOM
459
O
LEU
275
19.924
35.448
98.541
1.00
29.52

ATOM
460
N
LYS
276
20.457
37.600
98.179
1.00
29.98

ATOM
462
CA
LYS
276
21.077
37.802
99.476
1.00
32.68

ATOM
463
CB
LYS
276
21.982
39.031
99.481
1.00
33.96

ATOM
464
CG
LYS
276
22.616
39.278
100.832
1.00
36.49

ATOM
465
CD
LYS
276
23.659
40.320
100.731
1.00
42.22

ATOM
466
CE
LYS
276
24.215
40.606
102.123
1.00
47.21

ATOM
467
NZ
LYS
276
25.344
41.588
102.053
1.00
51.35

ATOM
471
C
LYS
276
19.979
37.963
100.515
1.00
32.85

ATOM
472
O
LYS
276
19.207
38.917
100.458
1.00
33.52

ATOM
473
N
ALA
277
19.946
37.078
101.504
1.00
34.58

ATOM
475
CA
ALA
277
18.855
37.188
102.460
1.00
34.05

ATOM
476
CB
ALA
277
18.590
35.935
103.315
1.00
35.34

ATOM
477
C
ALA
277
18.837
38.420
103.250
1.00
34.04

ATOM
478
O
ALA
277
19.822
38.880
103.840
1.00
38.07

ATOM
479
N
GLY
278
17.657
38.987
103.145
1.00
32.76

ATOM
481
CA
GLY
278
17.389
40.217
103.795
1.00
30.78

ATOM
482
C
GLY
278
17.837
41.403
102.975
1.00
30.85

ATOM
483
O
GLY
278
17.515
42.505
103.365
1.00
31.24

ATOM
484
N
SER
279
18.526
41.242
101.852
1.00
29.47

ATOM
486
CA
SER
279
18.926
42.435
101.139
1.00
28.75

ATOM
487
CB
SER
279
19.994
42.091
100.127
1.00
27.18

ATOM
488
OG
SER
279
19.457
41.248
99.136
1.00
23.79

ATOM
490
C
SER
279
17.741
43.107
100.434
1.00
30.73

ATOM
491
O
SER
279
17.805
44.300
100.089
1.00
33.17

ATOM
492
N
MET
280
16.697
42.325
100.140
1.00
27.39

ATOM
494
CA
MET
280
15.542
42.858
99.442
1.00
23.62

ATOM
495
CB
MET
280
15.864
43.127
97.984
1.00
24.43

ATOM
496
CG
MET
280
16.214
41.890
97.209
1.00
23.94

ATOM
497
SD
MET
280
16.460
42.155
95.478
1.00
28.79

ATOM
498
CE
MET
280
14.806
42.233
94.886
1.00
23.16

ATOM
499
C
MET
280
14.446
41.837
99.528
1.00
23.80

ATOM
500
O
MET
280
14.652
40.717
100.010
1.00
24.10

ATOM
501
N
SER
281
13.269
42.198
99.030
1.00
22.93

ATOM
503
CA
SER
281
12.151
41.289
99.102
1.00
20.64

ATOM
504
CB
SER
281
10.853
41.981
98.725
1.00
21.35

ATOM
505
OG
SER
281
9.789
41.050
98.602
1.00
21.47

ATOM
507
C
SER
281
12.275
40.068
98.223
1.00
18.82

ATOM
508
O
SER
281
12.547
40.172
97.032
1.00
20.53

ATOM
509
N
PRO
282
12.106
38.907
98.828
0.51
14.57

ATOM
510
CD
PRO
282
12.078
38.605
100.266
0.51
13.40

ATOM
511
CA
PRO
282
12.195
37.703
98.034
0.51
12.57

ATOM
512
CB
PRO
282
12.245
36.600
99.092
0.51
11.19

ATOM
513
CG
PRO
282
11.579
37.204
100.266
0.51
10.35

ATOM
514
C
PRO
282
10.992
37.691
97.044
0.51
13.41

ATOM
515
O
PRO
282
11.091
37.097
95.979
0.51
9.01

ATOM
516
N
ASP
283
9.903
38.442
97.324
1.00
18.15

ATOM
518
CA
ASP
283
8.762
38.551
96.392
1.00
17.76

ATOM
519
CB
ASP
283
7.525
39.193
97.049
1.00
22.85

ATOM
520
CG
ASP
283
6.351
39.362
96.061
1.00
26.42

ATOM
521
OD1
ASP
283
5.871
38.330
95.582
1.00
29.45

ATOM
522
OD2
ASP
283
5.942
40.486
95.723
1.00
27.03

ATOM
523
C
ASP
283
9.170
39.388
95.208
1.00
18.60

ATOM
524
O
ASP
283
8.874
39.069
94.056
1.00
17.98

ATOM
525
N
ALA
284
9.882
40.483
95.495
1.00
19.23

ATOM
527
CA
ALA
284
10.369
41.385
94.446
1.00
20.69

ATOM
528
CB
ALA
284
10.904
42.671
95.096
1.00
18.76

ATOM
529
C
ALA
284
11.474
40.702
93.642
1.00
19.76

ATOM
530
O
ALA
284
11.659
40.978
92.463
1.00
21.88

ATOM
531
N
PHE
285
12.256
39.869
94.296
1.00
21.00

ATOM
533
CA
PHE
285
13.304
39.153
93.568
1.00
19.86

ATOM
534
CB
PHE
285
14.156
38.362
94.576
1.00
21.58

ATOM
535
CG
PHE
285
15.271
37.599
93.938
1.00
21.81

ATOM
536
CD1
PHE
285
16.415
38.254
93.505
1.00
21.74

ATOM
537
CD2
PHE
285
15.188
36.219
93.807
1.00
20.96

ATOM
538
CE1
PHE
285
17.485
37.517
92.945
1.00
25.30

ATOM
539
CE2
PHE
285
16.225
35.459
93.260
1.00
19.10

ATOM
540
CZ
PHE
285
17.382
36.100
92.823
1.00
23.29

ATOM
541
C
PHE
285
12.627
38.204
92.574
1.00
19.96

ATOM
542
O
PHE
285
12.892
38.261
91.367
1.00
19.45

ATOM
543
N
LEU
286
11.662
37.418
93.051
1.00
17.20

ATOM
545
CA
LEU
286
11.009
36.439
92.166
1.00
17.90

ATOM
546
CB
LEU
286
10.276
35.373
92.997
1.00
19.19

ATOM
547
CG
LEU
286
11.177
34.438
93.824
1.00
19.01

ATOM
548
CD1
LEU
286
10.332
33.564
94.734
1.00
18.18

ATOM
549
CD2
LEU
286
11.998
33.593
92.853
1.00
20.50

ATOM
550
C
LEU
286
10.095
37.006
91.112
1.00
18.94

ATOM
551
O
LEU
286
9.796
36.344
90.095
1.00
18.97

ATOM
552
N
ALA
287
9.588
38.217
91.340
1.00
20.47

ATOM
554
CA
ALA
287
8.729
38.846
90.353
1.00
19.43

ATOM
555
CB
ALA
287
8.328
40.262
90.816
1.00
21.51

ATOM
556
C
ALA
287
9.406
38.916
88.981
1.00
19.24

ATOM
557
O
ALA
287
8.761
38.846
87.945
1.00
21.16

ATOM
558
N
GLU
288
10.713
39.052
88.974
1.00
21.50

ATOM
560
CA
GLU
288
11.430
39.108
87.711
1.00
21.69

ATOM
561
CB
GLU
288
12.918
39.398
87.932
1.00
20.35

ATOM
562
CG
GLU
288
13.645
39.463
86.597
1.00
20.74

ATOM
563
CD
GLU
288
15.132
39.628
86.723
1.00
20.43

ATOM
564
OE1
GLU
288
15.674
39.496
87.832
1.00
21.79

ATOM
565
OE2
GLU
288
15.744
39.903
85.689
1.00
25.80

ATOM
566
C
GLU
288
11.289
37.771
86.982
1.00
21.41

ATOM
567
O
GLU
288
11.076
37.738
85.775
1.00
19.82

ATOM
568
N
ALA
289
11.425
36.672
87.720
1.00
23.03

ATOM
570
CA
ALA
289
11.298
35.339
87.103
1.00
26.06

ATOM
571
CB
ALA
289
11.664
34.239
88.119
1.00
25.97

ATOM
572
C
ALA
289
9.851
35.144
86.582
1.00
26.33

ATOM
573
O
ALA
289
9.638
34.651
85.467
1.00
24.08

ATOM
574
N
ASN
290
8.866
35.549
87.372
1.00
26.78

ATOM
576
CA
ASN
290
7.483
35.426
86.911
1.00
28.16

ATOM
577
CB
ASN
290
6.521
35.896
87.992
1.00
31.30

ATOM
578
CG
ASN
290
6.545
34.976
89.195
1.00
34.57

ATOM
579
OD1
ASN
290
6.896
33.794
89.070
1.00
37.25

ATOM
580
ND2
ASN
290
6.218
35.503
90.363
1.00
34.64

ATOM
583
C
ASN
290
7.237
36.170
85.607
1.00
28.72

ATOM
584
O
ASN
290
6.569
35.665
84.709
1.00
29.41

ATOM
585
N
LEU
291
7.809
37.362
85.487
1.00
28.18

ATOM
587
CA
LEU
291
7.664
38.119
84.240
1.00
25.84

ATOM
588
CB
LEU
291
8.223
39.546
84.437
1.00
26.13

ATOM
589
CG
LEU
291
8.169
40.485
83.236
1.00
26.10

ATOM
590
CD1
LEU
291
8.014
41.938
83.754
1.00
24.19

ATOM
591
CD2
LEU
291
9.437
40.315
82.403
1.00
25.70

ATOM
592
C
LEU
291
8.366
37.411
83.085
1.00
23.49

ATOM
593
O
LEU
291
7.844
37.383
81.992
1.00
23.93

ATOM
594
N
MET
292
9.561
36.863
83.321
1.00
24.90

ATOM
596
CA
MET
292
10.305
36.165
82.260
1.00
24.87

ATOM
597
CB
MET
292
11.686
35.687
82.745
1.00
25.73

ATOM
598
CG
MET
292
12.792
36.757
82.932
1.00
25.22

ATOM
599
SD
MET
292
14.277
36.170
83.568
1.00
24.22

ATOM
600
CE
MET
292
14.270
36.727
85.291
1.00
31.98

ATOM
601
C
MET
292
9.499
34.964
81.724
1.00
24.23

ATOM
602
O
MET
292
9.625
34.616
80.557
1.00
25.70

ATOM
603
N
LYS
293
8.677
34.329
82.561
1.00
23.39

ATOM
605
CA
LYS
293
7.841
33.210
82.072
1.00
24.49

ATOM
606
CB
LYS
293
6.979
32.614
83.193
1.00
22.46

ATOM
607
CG
LYS
293
7.721
31.947
84.349
1.00
25.48

ATOM
608
CD
LYS
293
6.832
31.844
85.573
1.00
25.08

ATOM
609
CE
LYS
293
7.556
31.097
86.636
1.00
25.94

ATOM
610
NZ
LYS
293
6.747
31.053
87.900
1.00
28.18

ATOM
614
C
LYS
293
6.920
33.656
80.922
1.00
25.40

ATOM
615
O
LYS
293
6.600
32.875
80.031
1.00
26.85

ATOM
616
N
GLN
294
6.533
34.931
80.894
1.00
25.66

ATOM
618
CA
GLN
294
5.656
35.392
79.822
1.00
24.99

ATOM
619
CB
GLN
294
4.719
36.481
80.333
1.00
25.55

ATOM
620
CG
GLN
294
3.972
36.097
81.601
1.00
23.62

ATOM
621
CD
GLN
294
3.143
34.849
81.413
1.00
27.88

ATOM
622
OE1
GLN
294
2.618
34.623
80.337
1.00
31.73

ATOM
623
NE2
GLN
294
3.025
34.026
82.465
1.00
30.15

ATOM
626
C
GLN
294
6.381
35.945
78.632
1.00
26.64

ATOM
627
O
GLN
294
5.752
36.231
77.623
1.00
27.61

ATOM
628
N
LEU
295
7.671
36.191
78.776
1.00
27.07

ATOM
630
CA
LEU
295
8.445
36.748
77.682
1.00
24.82

ATOM
631
CB
LEU
295
9.037
38.101
78.078
1.00
25.86

ATOM
632
CG
LEU
295
8.053
39.234
78.210
1.00
24.00

ATOM
633
CD1
LEU
295
8.764
40.471
78.728
1.00
23.30

ATOM
634
CD2
LEU
295
7.403
39.478
76.853
1.00
23.01

ATOM
635
C
LEU
295
9.532
35.825
77.212
1.00
23.86

ATOM
636
O
LEU
295
10.719
36.061
77.458
1.00
26.71

ATOM
637
N
GLN
296
9.102
34.838
76.429
1.00
21.39

ATOM
639
CA
GLN
296
9.994
33.827
75.893
1.00
18.39

ATOM
640
CB
GLN
296
9.385
32.438
76.121
1.00
22.05

ATOM
641
CG
GLN
296
9.167
32.095
77.578
1.00
23.35

ATOM
642
CD
GLN
296
8.581
30.699
77.779
1.00
27.58

ATOM
643
OE1
GLN
296
9.000
29.747
77.149
1.00
34.77

ATOM
644
NE2
GLN
296
7.616
30.580
78.676
1.00
29.64

ATOM
647
C
GLN
296
10.155
34.084
74.428
1.00
17.06

ATOM
648
O
GLN
296
9.192
34.066
73.690
1.00
17.47

ATOM
649
N
HIS
297
11.401
34.301
74.008
1.00
13.82

ATOM
651
CA
HIS
297
11.703
34.575
72.613
1.00
12.19

ATOM
652
CB
HIS
297
11.385
36.056
72.315
1.00
10.71

ATOM
653
CG
HIS
297
11.467
36.409
70.878
1.00
6.59

ATOM
654
CD2
HIS
297
10.512
36.487
69.917
1.00
5.42

ATOM
655
ND1
HIS
297
12.659
36.713
70.260
1.00
10.13

ATOM
657
CE1
HIS
297
12.434
36.968
68.973
1.00
12.03

ATOM
658
NE2
HIS
297
11.139
36.833
68.738
1.00
8.83

ATOM
660
C
HIS
297
13.205
34.340
72.404
1.00
12.25

ATOM
661
O
HIS
297
13.968
34.478
73.319
1.00
13.62

ATOM
662
N
GLN
298
13.626
34.045
71.186
1.00
12.61

ATOM
664
CA
GLN
298
15.030
33.831
70.931
1.00
16.77

ATOM
665
CB
GLN
298
15.313
33.498
69.461
1.00
16.56

ATOM
666
CG
GLN
298
14.897
32.149
68.971
1.00
21.12

ATOM
667
CD
GLN
298
15.538
30.934
69.743
1.00
21.61

ATOM
668
OE1
GLN
298
14.816
30.067
70.243
1.00
19.75

ATOM
669
NE2
GLN
298
16.865
30.882
69.820
1.00
18.05

ATOM
672
C
GLN
298
15.919
35.012
71.275
1.00
16.39

ATOM
673
O
GLN
298
17.060
34.817
71.616
1.00
18.14

ATOM
674
N
ARG
299
15.395
36.228
71.128
1.00
18.02

ATOM
676
CA
ARG
299
16.177
37.424
71.393
1.00
14.74

ATOM
677
CB
ARG
299
15.751
38.528
70.447
1.00
12.85

ATOM
678
CG
ARG
299
15.842
38.137
68.986
1.00
11.65

ATOM
679
CD
ARG
299
17.134
38.532
68.353
1.00
9.41

ATOM
680
NE
ARG
299
18.297
37.997
69.070
1.00
14.53

ATOM
682
CZ
ARG
299
18.737
36.729
68.969
1.00
15.60

ATOM
683
NH1
ARG
299
18.116
35.845
68.191
1.00
8.73

ATOM
686
NH2
ARG
299
19.814
36.334
69.638
1.00
14.55

ATOM
689
C
ARG
299
16.175
37.896
72.821
1.00
12.76

ATOM
690
O
ARG
299
16.688
38.958
73.094
1.00
12.91

ATOM
691
N
LEU
300
15.598
37.130
73.729
1.00
14.57

ATOM
693
CA
LEU
300
15.541
37.516
75.134
1.00
15.73

ATOM
694
CB
LEU
300
14.067
37.756
75.559
1.00
15.13

ATOM
695
CG
LEU
300
13.391
39.110
75.214
1.00
15.54

ATOM
696
CD1
LEU
300
13.400
39.375
73.735
1.00
9.79

ATOM
697
CD2
LEU
300
11.951
39.110
75.789
1.00
14.31

ATOM
698
C
LEU
300
16.125
36.387
75.998
1.00
15.89

ATOM
699
O
LEU
300
15.796
35.224
75.783
1.00
17.98

ATOM
700
N
VAL
301
16.961
36.732
76.963
1.00
15.52

ATOM
702
CA
VAL
301
17.561
35.760
77.855
1.00
15.64

ATOM
703
CB
VAL
301
18.371
36.443
78.934
1.00
15.52

ATOM
704
CG1
VAL
301
18.748
35.486
80.060
1.00
14.98

ATOM
705
CG2
VAL
301
19.639
36.991
78.339
1.00
15.35

ATOM
706
C
VAL
301
16.425
34.913
78.442
1.00
18.94

ATOM
707
O
VAL
301
15.475
35.449
79.034
1.00
20.49

ATOM
708
N
ARG
302
16.538
33.582
78.268
1.00
19.16

ATOM
710
CA
ARG
302
15.476
32.635
78.699
1.00
18.40

ATOM
711
CB
ARG
302
15.498
31.397
77.767
1.00
24.28

ATOM
712
CG
ARG
302
14.178
30.536
77.655
1.00
29.32

ATOM
713
CD
ARG
302
14.447
28.965
77.667
1.00
36.19

ATOM
714
NE
ARG
302
13.268
28.086
77.463
1.00
41.02

ATOM
716
CZ
ARG
302
12.895
27.024
78.191
1.00
43.23

ATOM
717
NH1
ARG
302
13.534
26.611
79.299
1.00
43.30

ATOM
720
NH2
ARG
302
12.133
26.125
77.565
1.00
47.92

ATOM
723
C
ARG
302
15.539
32.194
80.151
1.00
15.80

ATOM
724
O
ARG
302
16.619
31.892
80.661
1.00
14.82

ATOM
725
N
LEU
303
14.411
32.212
80.859
1.00
11.55

ATOM
727
CA
LEU
303
14.399
31.709
82.233
1.00
14.00

ATOM
728
CB
LEU
303
13.075
32.001
82.892
1.00
14.73

ATOM
729
CG
LEU
303
12.928
31.481
84.331
1.00
16.56

ATOM
730
CD1
LEU
303
13.913
32.167
85.251
1.00
13.83

ATOM
731
CD2
LEU
303
11.462
31.725
84.820
1.00
10.17

ATOM
732
C
LEU
303
14.569
30.168
82.150
1.00
17.81

ATOM
733
O
LEU
303
13.848
29.483
81.420
1.00
17.00

ATOM
734
N
TYR
304
15.552
29.637
82.854
1.00
20.52

ATOM
736
CA
TYR
304
15.831
28.198
82.809
1.00
21.34

ATOM
737
CB
TYR
304
17.339
27.989
82.930
1.00
23.44

ATOM
738
CG
TYR
304
17.786
26.607
82.640
1.00
27.68

ATOM
739
CD1
TYR
304
17.696
25.605
83.614
1.00
32.52

ATOM
740
CE1
TYR
304
18.063
24.290
83.343
1.00
31.28

ATOM
741
CD2
TYR
304
18.265
26.265
81.385
1.00
30.83

ATOM
742
CE2
TYR
304
18.636
24.943
81.103
1.00
34.15

ATOM
743
CZ
TYR
304
18.530
23.974
82.093
1.00
33.90

ATOM
744
OH
TYR
304
18.926
22.706
81.819
1.00
36.03

ATOM
746
C
TYR
304
15.099
27.500
83.964
1.00
21.96

ATOM
747
O
TYR
304
14.425
26.499
83.764
1.00
22.13

ATOM
748
N
ALA
305
15.209
28.053
85.170
1.00
20.64

ATOM
750
CA
ALA
305
14.570
27.441
86.312
1.00
18.28

ATOM
751
CB
ALA
305
15.304
26.148
86.694
1.00
16.59

ATOM
752
C
ALA
305
14.577
28.379
87.504
1.00
18.49

ATOM
753
O
ALA
305
15.163
29.456
87.448
1.00
19.05

ATOM
754
N
VAL
306
14.007
27.905
88.607
0.75
16.83

ATOM
756
CA
VAL
306
13.954
28.661
89.842
0.75
15.19

ATOM
757
CB
VAL
306
12.764
29.710
89.803
0.75
15.23

ATOM
758
CG1
VAL
306
11.927
29.459
88.605
0.75
20.64

ATOM
759
CG2
VAL
306
11.921
29.725
91.030
0.75
13.94

ATOM
760
C
VAL
306
13.940
27.741
91.044
0.75
16.10

ATOM
761
O
VAL
306
13.514
26.582
90.963
0.75
15.63

ATOM
762
N
VAL
307
14.561
28.206
92.116
1.00
17.75

ATOM
764
CA
VAL
307
14.597
27.467
93.373
1.00
21.46

ATOM
765
CB
VAL
307
16.049
27.043
93.786
1.00
21.01

ATOM
766
CG1
VAL
307
16.040
26.413
95.148
1.00
19.40

ATOM
767
CG2
VAL
307
16.626
26.084
92.774
1.00
21.25

ATOM
768
C
VAL
307
14.007
28.478
94.364
1.00
25.12

ATOM
769
O
VAL
307
14.662
29.445
94.772
1.00
26.63

ATOM
770
N
THR
308
12.746
28.257
94.690
1.00
27.40

ATOM
772
CA
THR
308
11.950
29.075
95.580
1.00
29.59

ATOM
773
CB
THR
308
10.419
28.814
95.309
1.00
29.83

ATOM
774
OG1
THR
308
10.049
29.395
94.049
1.00
33.86

ATOM
776
CG2
THR
308
9.547
29.357
96.404
1.00
36.10

ATOM
777
C
THR
308
12.277
29.040
97.098
1.00
29.95

ATOM
778
O
THR
308
11.854
29.954
97.798
1.00
31.04

ATOM
779
N
ALA
309
12.912
27.991
97.643
1.00
29.60

ATOM
781
CA
ALA
309
13.238
28.074
99.079
1.00
30.23

ATOM
782
CB
ALA
309
13.392
26.727
99.771
1.00
29.90

ATOM
783
C
ALA
309
14.515
28.884
99.226
1.00
31.24

ATOM
784
O
ALA
309
15.291
29.062
98.277
1.00
29.98

ATOM
785
N
GLU
310
14.854
29.175
100.460
1.00
33.02

ATOM
787
CA
GLU
310
16.004
30.011
100.692
1.00
35.30

ATOM
788
CB
GLU
310
15.656
30.948
101.789
1.00
36.75

ATOM
789
CG
GLU
310
15.201
32.303
101.410
1.00
41.03

ATOM
790
CD
GLU
310
14.844
33.028
102.675
1.00
45.51

ATOM
791
OE1
GLU
310
15.311
32.566
103.742
1.00
49.70

ATOM
792
OE2
GLU
310
14.057
33.996
102.629
1.00
45.61

ATOM
793
C
GLU
310
17.339
29.341
101.019
1.00
36.39

ATOM
794
O
GLU
310
17.375
28.495
101.942
1.00
36.98

ATOM
795
N
PRO
311
18.463
29.858
100.389
1.00
35.12

ATOM
796
CD
PRO
311
19.811
29.252
100.425
1.00
35.52

ATOM
797
CA
PRO
311
18.465
31.010
99.427
1.00
34.76

ATOM
798
CB
PRO
311
19.946
31.334
99.245
1.00
35.47

ATOM
799
CG
PRO
311
20.559
30.004
99.238
1.00
35.08

ATOM
800
C
PRO
311
17.796
30.904
98.018
1.00
34.02

ATOM
801
O
PRO
311
18.086
29.989
97.268
1.00
35.15

ATOM
802
N
ILE
312
17.030
31.923
97.614
1.00
30.57

ATOM
804
CA
ILE
312
16.329
31.878
96.329
1.00
26.24

ATOM
805
CB
ILE
312
15.206
32.953
96.298
1.00
27.45

ATOM
806
CG2
ILE
312
14.435
32.869
95.015
1.00
25.33

ATOM
807
CG1
ILE
312
14.310
32.765
97.536
1.00
27.69

ATOM
808
CD1
ILE
312
13.197
33.782
97.633
1.00
31.84

ATOM
809
C
ILE
312
17.210
31.993
95.106
1.00
23.75

ATOM
810
O
ILE
312
18.114
32.837
95.061
1.00
21.09

ATOM
811
N
TYR
313
16.984
31.136
94.126
1.00
21.51

ATOM
813
CA
TYR
313
17.798
31.205
92.910
1.00
21.71

ATOM
814
CB
TYR
313
18.534
29.892
92.611
1.00
22.23

ATOM
815
CG
TYR
313
19.668
29.443
93.513
1.00
24.22

ATOM
816
CD1
TYR
313
20.291
30.304
94.391
1.00
21.28

ATOM
817
CE1
TYR
313
21.336
29.863
95.178
1.00
24.77

ATOM
818
CD2
TYR
313
20.119
28.124
93.449
1.00
27.05

ATOM
819
CE2
TYR
313
21.154
27.670
94.238
1.00
27.82

ATOM
820
CZ
TYR
313
21.759
28.542
95.101
1.00
26.54

ATOM
821
OH
TYR
313
22.766
28.079
95.906
1.00
26.31

ATOM
823
C
TYR
313
16.960
31.436
91.681
1.00
19.02

ATOM
824
O
TYR
313
15.892
30.860
91.547
1.00
19.71

ATOM
825
N
ILE
314
17.465
32.248
90.770
0.82
17.24

ATOM
827
CA
ILE
314
16.833
32.432
89.477
0.82
16.18

ATOM
828
CB
ILE
314
16.489
33.910
89.160
0.82
14.02

ATOM
829
CG2
ILE
314
16.144
34.043
87.694
0.82
14.53

ATOM
830
CG1
ILE
314
15.335
34.371
90.031
0.82
15.31

ATOM
831
CD1
ILE
314
14.958
35.856
89.855
0.82
13.93

ATOM
832
C
ILE
314
17.912
31.927
88.488
0.82
15.65

ATOM
833
O
ILE
314
19.013
32.499
88.391
0.82
13.85

ATOM
834
N
ILE
315
17.600
30.874
87.748
1.00
15.03

ATOM
836
CA
ILE
315
18.543
30.294
86.817
1.00
13.64

ATOM
837
CB
ILE
315
18.589
28.746
86.947
1.00
13.73

ATOM
838
CG2
ILE
315
19.637
28.154
85.991
1.00
9.69

ATOM
839
CG1
ILE
315
18.915
28.335
88.393
1.00
13.21

ATOM
840
CD1
ILE
315
17.711
28.255
89.330
1.00
9.79

ATOM
841
C
ILE
315
18.192
30.690
85.403
1.00
14.14

ATOM
842
O
ILE
315
17.040
30.544
84.997
1.00
14.62

ATOM
843
N
THR
316
19.173
31.165
84.631
1.00
14.85

ATOM
845
CA
THR
316
18.872
31.595
83.277
1.00
14.14

ATOM
846
CB
THR
316
18.878
33.143
83.201
1.00
13.98

ATOM
847
OG1
THR
316
20.169
33.618
83.616
1.00
17.04

ATOM
849
CG2
THR
316
17.800
33.726
84.118
1.00
8.17

ATOM
850
C
THR
316
19.839
31.078
82.216
1.00
16.85

ATOM
851
O
THR
316
20.845
30.456
82.534
1.00
17.57

ATOM
852
N
GLU
317
19.486
31.332
80.957
1.00
16.91

ATOM
854
CA
GLU
317
20.277
31.008
79.791
1.00
16.67

ATOM
855
CB
GLU
317
19.564
31.541
78.567
1.00
17.21

ATOM
856
CG
GLU
317
20.222
31.261
77.252
1.00
14.43

ATOM
857
CD
GLU
317
19.353
31.727
76.087
1.00
18.13

ATOM
858
OE1
GLU
317
18.398
32.537
76.315
1.00
14.82

ATOM
859
OE2
GLU
317
19.576
31.266
74.961
1.00
13.42

ATOM
860
C
GLU
317
21.673
31.664
79.890
1.00
19.07

ATOM
861
O
GLU
317
21.806
32.899
80.004
1.00
20.58

ATOM
862
N
TYR
318
22.704
30.838
79.797
1.00
18.98

ATOM
864
CA
TYR
318
24.067
31.333
79.909
1.00
18.22

ATOM
865
CB
TYR
318
25.030
30.186
80.223
1.00
19.73

ATOM
866
CG
TYR
318
26.358
30.706
80.707
1.00
19.63

ATOM
867
CD1
TYR
318
26.476
31.214
81.987
1.00
22.75

ATOM
868
CE1
TYR
318
27.677
31.676
82.465
1.00
24.78

ATOM
869
CD2
TYR
318
27.479
30.673
79.884
1.00
19.43

ATOM
870
CE2
TYR
318
28.709
31.150
80.353
1.00
20.22

ATOM
871
CZ
TYR
318
28.804
31.645
81.639
1.00
24.87

ATOM
872
OH
TYR
318
30.005
32.114
82.121
1.00
27.76

ATOM
874
C
TYR
318
24.499
32.037
78.642
1.00
18.73

ATOM
875
O
TYR
318
24.244
31.551
77.538
1.00
18.36

ATOM
876
N
MET
319
25.140
33.194
78.786
1.00
18.80

ATOM
878
CA
MET
319
25.580
33.945
77.595
1.00
18.78

ATOM
879
CB
MET
319
24.855
35.289
77.554
1.00
18.67

ATOM
880
CG
MET
319
23.322
35.146
77.365
1.00
13.13

ATOM
881
SD
MET
319
22.872
34.497
75.765
1.00
14.87

ATOM
882
CE
MET
319
23.121
35.815
74.681
1.00
11.13

ATOM
883
C
MET
319
27.101
34.078
77.686
1.00
20.76

ATOM
884
O
MET
319
27.637
34.830
78.490
1.00
22.04

ATOM
885
N
GLU
320
27.775
33.343
76.825
1.00
22.41

ATOM
887
CA
GLU
320
29.220
33.251
76.844
1.00
23.90

ATOM
888
CB
GLU
320
29.736
32.360
75.714
1.00
27.88

ATOM
889
CG
GLU
320
31.143
31.847
75.990
1.00
36.74

ATOM
890
CD
GLU
320
31.169
30.929
77.210
1.00
43.00

ATOM
891
OE1
GLU
320
30.333
29.992
77.268
1.00
46.34

ATOM
892
OE2
GLU
320
32.004
31.132
78.135
1.00
46.76

ATOM
893
C
GLU
320
30.042
34.514
76.872
1.00
22.26

ATOM
894
O
GLU
320
31.014
34.546
77.606
1.00
19.88

ATOM
895
N
ASN
321
29.643
35.531
76.115
1.00
21.61

ATOM
897
CA
ASN
321
30.434
36.739
76.062
1.00
20.96

ATOM
898
CB
ASN
321
30.647
37.164
74.591
1.00
22.07

ATOM
899
CG
ASN
321
31.705
36.304
73.903
1.00
22.87

ATOM
900
OD1
ASN
321
31.523
35.816
72.784
1.00
24.57

ATOM
901
ND2
ASN
321
32.796
36.080
74.608
1.00
19.26

ATOM
904
C
ASN
321
30.012
37.866
76.966
1.00
18.96

ATOM
905
O
ASN
321
30.377
39.016
76.738
1.00
20.52

ATOM
906
N
GLY
322
29.231
37.519
77.975
1.00
16.99

ATOM
908
CA
GLY
322
28.769
38.471
78.979
1.00
16.93

ATOM
909
C
GLY
322
28.044
39.711
78.495
1.00
14.71

ATOM
910
O
GLY
322
27.388
39.631
77.460
1.00
15.91

ATOM
911
N
SER
323
28.327
40.851
79.105
0.43
12.37

ATOM
913
CA
SER
323
27.646
42.064
78.698
0.43
11.44

ATOM
914
CB
SER
323
27.596
43.084
79.841
0.43
12.56

ATOM
915
OG
SER
323
28.794
43.830
79.919
0.43
22.42

ATOM
917
C
SER
323
28.189
42.694
77.472
0.43
9.75

ATOM
918
O
SER
323
29.388
42.697
77.253
0.43
7.93

ATOM
919
N
LEU
324
27.272
43.230
76.680
1.00
12.31

ATOM
921
CA
LEU
324
27.636
43.886
75.441
1.00
13.53

ATOM
922
CB
LEU
324
26.431
44.378
74.643
1.00
11.33

ATOM
923
CG
LEU
324
26.783
45.050
73.315
1.00
11.74

ATOM
924
CD1
LEU
324
27.129
44.114
72.137
1.00
11.30

ATOM
925
CD2
LEU
324
25.487
45.831
72.929
1.00
13.50

ATOM
926
C
LEU
324
28.560
45.053
75.824
1.00
14.72

ATOM
927
O
LEU
324
29.626
45.171
75.249
1.00
15.57

ATOM
928
N
VAL
325
28.226
45.764
76.882
1.00
14.93

ATOM
930
CA
VAL
325
29.051
46.873
77.264
1.00
16.29

ATOM
931
CB
VAL
325
28.448
47.689
78.401
1.00
13.59

ATOM
932
CG1
VAL
325
28.612
47.004
79.724
1.00
14.56

ATOM
933
CG2
VAL
325
29.095
49.059
78.404
1.00
15.75

ATOM
934
C
VAL
325
30.488
46.427
77.590
1.00
19.59

ATOM
935
O
VAL
325
31.457
47.137
77.313
1.00
19.46

ATOM
936
N
ASP
326
30.635
45.209
78.126
1.00
18.89

ATOM
938
CA
ASP
326
31.969
44.711
78.426
1.00
16.74

ATOM
939
CB
ASP
326
31.937
43.714
79.539
1.00
15.36

ATOM
940
CG
ASP
326
31.595
44.321
80.855
1.00
18.53

ATOM
941
OD1
ASP
326
31.915
45.501
81.089
1.00
22.26

ATOM
942
OD2
ASP
326
31.004
43.623
81.697
1.00
21.60

ATOM
943
C
ASP
326
32.603
44.066
77.218
1.00
17.28

ATOM
944
O
ASP
326
33.792
44.270
76.924
1.00
19.53

ATOM
945
N
PHE
327
31.807
43.309
76.487
1.00
16.77

ATOM
947
CA
PHE
327
32.300
42.609
75.305
1.00
15.42

ATOM
948
CB
PHE
327
31.167
41.806
74.651
1.00
16.38

ATOM
949
CG
PHE
327
31.582
41.145
73.377
1.00
18.43

ATOM
950
CD1
PHE
327
32.504
40.079
73.406
1.00
17.80

ATOM
951
CD2
PHE
327
31.133
41.595
72.172
1.00
19.13

ATOM
952
CE1
PHE
327
32.956
39.501
72.254
1.00
17.90

ATOM
953
CE2
PHE
327
31.575
41.019
70.983
1.00
18.88

ATOM
954
CZ
PHE
327
32.491
39.971
71.022
1.00
20.02

ATOM
955
C
PHE
327
32.925
43.534
74.257
1.00
14.46

ATOM
956
O
PHE
327
33.924
43.143
73.608
1.00
15.79

ATOM
957
N
LEU
328
32.331
44.711
74.078
0.40
10.06

ATOM
959
CA
LEU
328
32.798
45.658
73.078
0.40
7.95

ATOM
960
CB
LEU
328
31.793
46.801
72.949
0.40
5.19

ATOM
961
CG
LEU
328
30.499
46.422
72.223
0.40
2.00

ATOM
962
CD1
LEU
328
29.622
47.623
72.147
0.40
2.00

ATOM
963
CD2
LEU
328
30.823
45.921
70.838
0.40
2.00

ATOM
964
C
LEU
328
34.172
46.227
73.360
0.40
8.30

ATOM
965
O
LEU
328
34.786
46.852
72.507
0.40
5.91

ATOM
966
N
LYS
329
34.650
46.004
74.569
1.00
13.67

ATOM
968
CA
LYS
329
35.946
46.510
74.960
1.00
17.41

ATOM
969
CB
LYS
329
35.886
47.085
76.365
1.00
14.37

ATOM
970
CG
LYS
329
34.906
48.185
76.494
1.00
15.62

ATOM
971
CD
LYS
329
34.845
48.643
77.935
1.00
16.67

ATOM
972
CE
LYS
329
33.757
49.685
78.082
1.00
17.36

ATOM
973
NZ
LYS
329
33.631
50.022
79.532
1.00
20.17

ATOM
977
C
LYS
329
37.026
45.430
74.893
1.00
20.20

ATOM
978
O
LYS
329
38.195
45.707
75.091
1.00
25.35

ATOM
979
N
THR
330
36.646
44.192
74.618
1.00
18.94

ATOM
981
CA
THR
330
37.630
43.131
74.547
1.00
14.51

ATOM
982
CB
THR
330
36.957
41.722
74.733
1.00
11.78

ATOM
983
OG1
THR
330
36.088
41.483
73.653
1.00
14.69

ATOM
985
CG2
THR
330
36.167
41.654
76.008
1.00
8.84

ATOM
986
C
THR
330
38.279
43.175
73.184
1.00
15.86

ATOM
987
O
THR
330
37.781
43.845
72.271
1.00
20.22

ATOM
988
N
PRO
331
39.413
42.461
73.015
1.00
15.75

ATOM
989
CD
PRO
331
40.192
41.763
74.059
1.00
11.93

ATOM
990
CA
PRO
331
40.109
42.429
71.725
1.00
14.76

ATOM
991
CB
PRO
331
41.241
41.424
71.979
1.00
12.37

ATOM
992
CG
PRO
331
41.562
41.646
73.417
1.00
11.73

ATOM
993
C
PRO
331
39.166
41.993
70.607
1.00
16.66

ATOM
994
O
PRO
331
39.208
42.526
69.507
1.00
18.42

ATOM
995
N
SER
332
38.283
41.033
70.884
1.00
19.45

ATOM
997
CA
SER
332
37.333
40.590
69.866
1.00
21.00

ATOM
998
CB
SER
332
36.594
39.321
70.309
1.00
24.09

ATOM
999
OG
SER
332
37.486
38.231
70.423
1.00
31.13

ATOM
1001
C
SER
332
36.309
41.670
69.588
1.00
19.06

ATOM
1002
O
SER
332
35.994
41.908
68.446
1.00
21.97

ATOM
1003
N
GLY
333
35.759
42.271
70.639
1.00
20.79

ATOM
1005
CA
GLY
333
34.769
43.330
70.447
1.00
22.67

ATOM
1006
C
GLY
333
35.350
44.503
69.650
1.00
22.18

ATOM
1007
O
GLY
333
34.730
44.985
68.705
1.00
21.13

ATOM
1008
N
ILE
334
36.576
44.890
70.002
1.00
22.89

ATOM
1010
CA
ILE
334
37.236
46.007
69.329
1.00
23.12

ATOM
1011
CB
ILE
334
38.631
46.354
69.928
1.00
23.80

ATOM
1012
CG2
ILE
334
39.113
47.598
69.248
1.00
25.22

ATOM
1013
CG1
ILE
334
38.582
46.603
71.458
1.00
22.41

ATOM
1014
CD1
ILE
334
39.990
46.590
72.189
1.00
21.59

ATOM
1015
C
ILE
334
37.407
45.787
67.815
1.00
23.63

ATOM
1016
O
ILE
334
37.290
46.710
67.047
1.00
24.35

ATOM
1017
N
LYS
335
37.648
44.555
67.381
1.00
26.06

ATOM
1019
CA
LYS
335
37.830
44.292
65.959
1.00
27.33

ATOM
1020
CB
LYS
335
38.616
43.001
65.763
1.00
30.12

ATOM
1021
CG
LYS
335
40.007
43.052
66.331
1.00
36.81

ATOM
1022
CD
LYS
335
40.582
41.644
66.546
1.00
40.63

ATOM
1023
CE
LYS
335
41.918
41.735
67.231
1.00
41.34

ATOM
1024
NZ
LYS
335
42.211
40.491
67.953
1.00
40.29

ATOM
1028
C
LYS
335
36.558
44.225
65.137
1.00
25.83

ATOM
1029
O
LYS
335
36.629
44.133
63.919
1.00
24.93

ATOM
1030
N
LEU
336
35.408
44.292
65.787
1.00
25.22

ATOM
1032
CA
LEU
336
34.145
44.197
65.047
1.00
25.55

ATOM
1033
CB
LEU
336
32.954
44.138
66.034
1.00
26.91

ATOM
1034
CG
LEU
336
32.907
42.865
66.938
1.00
25.49

ATOM
1035
CD1
LEU
336
31.774
42.861
67.935
1.00
28.40

ATOM
1036
CD2
LEU
336
32.872
41.599
66.116
1.00
22.50

ATOM
1037
C
LEU
336
33.971
45.282
63.993
1.00
25.58

ATOM
1038
O
LEU
336
34.276
46.428
64.259
1.00
28.02

ATOM
1039
N
THR
337
33.495
44.910
62.802
1.00
25.27

ATOM
1041
CA
THR
337
33.241
45.891
61.742
1.00
25.86

ATOM
1042
CB
THR
337
33.166
45.222
60.318
1.00
25.88

ATOM
1043
OG1
THR
337
31.993
44.387
60.185
1.00
26.06

ATOM
1045
CG2
THR
337
34.417
44.369
60.091
1.00
26.41

ATOM
1046
C
THR
337
31.935
46.648
62.062
1.00
25.21

ATOM
1047
O
THR
337
31.162
46.183
62.910
1.00
24.24

ATOM
1048
N
ILE
338
31.728
47.795
61.416
1.00
22.87

ATOM
1050
CA
ILE
338
30.489
48.561
61.632
1.00
23.64

ATOM
1051
CB
ILE
338
30.484
49.881
60.824
1.00
20.07

ATOM
1052
CG2
ILE
338
30.632
49.557
59.351
1.00
19.98

ATOM
1053
CG1
ILE
338
29.217
50.695
61.122
1.00
19.49

ATOM
1054
CD1
ILE
338
29.044
51.055
62.619
1.00
16.21

ATOM
1055
C
ILE
338
29.331
47.676
61.187
1.00
22.37

ATOM
1056
O
ILE
338
28.240
47.755
61.744
1.00
25.54

ATOM
1057
N
ASN
339
29.605
46.806
60.223
1.00
22.72

ATOM
1059
CA
ASN
339
28.605
45.869
59.704
1.00
22.70

ATOM
1060
CB
ASN
339
29.225
45.059
58.566
1.00
27.00

ATOM
1061
CG
ASN
339
28.571
43.704
58.390
1.00
35.39

ATOM
1062
OD1
ASN
339
27.387
43.636
58.127
1.00
38.99

ATOM
1063
ND2
ASN
339
29.346
42.623
58.527
1.00
37.08

ATOM
1066
C
ASN
339
28.060
44.948
60.802
1.00
21.63

ATOM
1067
O
ASN
339
26.857
44.795
60.961
1.00
20.41

ATOM
1068
N
LYS
340
28.961
44.369
61.595
1.00
21.18

ATOM
1070
CA
LYS
340
28.552
43.474
62.664
1.00
20.62

ATOM
1071
CB
LYS
340
29.731
42.654
63.179
1.00
17.18

ATOM
1072
CG
LYS
340
29.389
41.735
64.356
1.00
17.20

ATOM
1073
CD
LYS
340
28.338
40.693
63.958
1.00
17.23

ATOM
1074
CE
LYS
340
27.957
39.875
65.176
1.00
19.05

ATOM
1075
NZ
LYS
340
26.872
38.871
64.846
1.00
18.26

ATOM
1079
C
LYS
340
27.892
44.265
63.807
1.00
20.56

ATOM
1080
O
LYS
340
26.996
43.754
64.499
1.00
19.99

ATOM
1081
N
LEU
341
28.372
45.485
64.038
1.00
18.72

ATOM
1083
CA
LEU
341
27.760
46.309
65.067
1.00
18.01

ATOM
1084
CB
LEU
341
28.547
47.598
65.242
1.00
18.92

ATOM
1085
CG
LEU
341
29.977
47.455
65.749
1.00
20.09

ATOM
1086
CD1
LEU
341
30.629
48.814
65.891
1.00
19.43

ATOM
1087
CD2
LEU
341
29.977
46.775
67.103
1.00
20.52

ATOM
1088
C
LEU
341
26.303
46.661
64.694
1.00
17.59

ATOM
1089
O
LEU
341
25.457
46.724
65.559
1.00
18.31

ATOM
1090
N
LEU
342
26.044
46.864
63.411
1.00
17.36

ATOM
1092
CA
LEU
342
24.716
47.210
62.932
1.00
18.37

ATOM
1093
CB
LEU
342
24.805
47.753
61.496
1.00
16.74

ATOM
1094
CG
LEU
342
25.497
49.147
61.460
1.00
18.05

ATOM
1095
CD1
LEU
342
25.819
49.476
60.011
1.00
13.77

ATOM
1096
CD2
LEU
342
24.607
50.233
62.125
1.00
13.53

ATOM
1097
C
LEU
342
23.833
45.961
63.031
1.00
18.66

ATOM
1098
O
LEU
342
22.634
46.049
63.299
1.00
17.97

ATOM
1099
N
ASP
343
24.491
44.816
62.914
1.00
20.90

ATOM
1101
CA
ASP
343
23.867
43.494
63.017
1.00
20.25

ATOM
1102
CB
ASP
343
24.896
42.395
62.683
1.00
19.73

ATOM
1103
CG
ASP
343
24.417
40.993
63.026
1.00
18.77

ATOM
1104
OD1
ASP
343
23.220
40.755
63.221
1.00
18.48

ATOM
1105
OD2
ASP
343
25.268
40.100
63.076
1.00
19.66

ATOM
1106
C
ASP
343
23.402
43.353
64.438
1.00
17.56

ATOM
1107
O
ASP
343
22.227
43.126
64.696
1.00
17.02

ATOM
1108
N
MET
344
24.337
43.525
65.363
1.00
17.57

ATOM
1110
CA
MET
344
23.940
43.438
66.754
1.00
18.94

ATOM
1111
CB
MET
344
25.159
43.614
67.636
1.00
22.04

ATOM
1112
CG
MET
344
26.205
42.564
67.317
1.00
20.27

ATOM
1113
SD
MET
344
27.702
42.778
68.340
1.00
25.96

ATOM
1114
CE
MET
344
27.750
41.447
69.307
1.00
22.39

ATOM
1115
C
MET
344
22.832
44.414
67.132
1.00
16.14

ATOM
1116
O
MET
344
21.929
44.037
67.828
1.00
16.41

ATOM
1117
N
ALA
345
22.904
45.652
66.647
1.00
16.35

ATOM
1119
CA
ALA
345
21.848
46.656
66.952
1.00
16.04

ATOM
1120
CB
ALA
345
22.196
48.009
66.306
1.00
15.38

ATOM
1121
C
ALA
345
20.475
46.163
66.481
1.00
12.30

ATOM
1122
O
ALA
345
19.496
46.319
67.209
1.00
13.10

ATOM
1123
N
ALA
346
20.414
45.615
65.273
1.00
12.19

ATOM
1125
CA
ALA
346
19.153
45.072
64.749
1.00
15.73

ATOM
1126
CB
ALA
346
19.336
44.622
63.306
1.00
14.07

ATOM
1127
C
ALA
346
18.625
43.928
65.615
1.00
17.64

ATOM
1128
O
ALA
346
17.436
43.843
65.851
1.00
21.71

ATOM
1129
N
GLN
347
19.527
43.064
66.118
1.00
18.84

ATOM
1131
CA
GLN
347
19.121
41.930
66.947
1.00
17.03

ATOM
1132
CB
GLN
347
20.318
41.035
67.320
1.00
13.90

ATOM
1133
CG
GLN
347
21.028
40.452
66.101
1.00
17.33

ATOM
1134
CD
GLN
347
22.086
39.395
66.450
1.00
15.74

ATOM
1135
OE1
GLN
347
22.058
38.793
67.527
1.00
13.53

ATOM
1136
NE2
GLN
347
23.009
39.142
65.508
1.00
13.32

ATOM
1139
C
GLN
347
18.461
42.434
68.214
1.00
17.85

ATOM
1140
O
GLN
347
17.469
41.872
68.650
1.00
18.87

ATOM
1141
N
ILE
348
19.026
43.474
68.796
1.00
17.10

ATOM
1143
CA
ILE
348
18.501
44.082
70.018
1.00
17.32

ATOM
1144
CB
ILE
348
19.469
45.204
70.508
1.00
16.99

ATOM
1145
CG2
ILE
348
18.892
45.990
71.694
1.00
12.02

ATOM
1146
CG1
ILE
348
20.791
44.532
70.895
1.00
17.04

ATOM
1147
CD1
ILE
348
21.913
45.483
71.171
1.00
15.48

ATOM
1148
C
ILE
348
17.142
44.691
69.701
1.00
16.91

ATOM
1149
O
ILE
348
16.212
44.525
70.447
1.00
16.81

ATOM
1150
N
ALA
349
17.071
45.393
68.584
1.00
16.01

ATOM
1152
CA
ALA
349
15.852
46.024
68.152
1.00
15.43

ATOM
1153
CB
ALA
349
16.080
46.841
66.879
1.00
9.59

ATOM
1154
C
ALA
349
14.772
44.936
67.910
1.00
15.31

ATOM
1155
O
ALA
349
13.602
45.173
68.183
1.00
13.86

ATOM
1156
N
GLU
350
15.174
43.746
67.460
1.00
15.50

ATOM
1158
CA
GLU
350
14.238
42.630
67.221
1.00
16.08

ATOM
1159
CB
GLU
350
14.964
41.524
66.455
1.00
17.84

ATOM
1160
CG
GLU
350
14.132
40.344
66.101
1.00
21.98

ATOM
1161
CD
GLU
350
14.942
39.274
65.337
1.00
26.03

ATOM
1162
OE1
GLU
350
15.942
39.592
64.646
1.00
25.60

ATOM
1163
OE2
GLU
350
14.546
38.095
65.408
1.00
29.09

ATOM
1164
C
GLU
350
13.695
42.103
68.531
1.00
15.26

ATOM
1165
O
GLU
350
12.516
41.770
68.622
1.00
13.24

ATOM
1166
N
GLY
351
14.574
41.999
69.540
1.00
14.92

ATOM
1168
CA
GLY
351
14.124
41.554
70.855
1.00
15.10

ATOM
1169
C
GLY
351
13.134
42.578
71.418
1.00
17.07

ATOM
1170
O
GLY
351
12.089
42.209
71.970
1.00
19.38

ATOM
1171
N
MET
352
13.462
43.860
71.291
1.00
16.33

ATOM
1173
CA
MET
352
12.575
44.898
71.824
1.00
14.83

ATOM
1174
CB
MET
352
13.274
46.268
71.799
1.00
17.15

ATOM
1175
CG
MET
352
14.404
46.402
72.806
1.00
12.62

ATOM
1176
SD
MET
352
13.996
46.063
74.508
1.00
15.26

ATOM
1177
CE
MET
352
12.540
47.225
74.678
1.00
13.35

ATOM
1178
C
MET
352
11.256
44.956
71.072
1.00
13.44

ATOM
1179
O
MET
352
10.261
45.337
71.647
1.00
14.17

ATOM
1180
N
ALA
353
11.240
44.567
69.790
1.00
11.98

ATOM
1182
CA
ALA
353
10.001
44.558
69.022
1.00
11.64

ATOM
1183
CB
ALA
353
10.267
44.268
67.587
1.00
10.76

ATOM
1184
C
ALA
353
9.076
43.504
69.584
1.00
15.00

ATOM
1185
O
ALA
353
7.852
43.658
69.546
1.00
17.11

ATOM
1186
N
PHE
354
9.672
42.420
70.085
1.00
17.52

ATOM
1188
CA
PHE
354
8.931
41.346
70.696
1.00
15.71

ATOM
1189
CB
PHE
354
9.852
40.157
71.024
1.00
16.79

ATOM
1190
CG
PHE
354
9.167
39.089
71.803
1.00
15.49

ATOM
1191
CD1
PHE
354
8.110
38.438
71.216
1.00
16.89

ATOM
1192
CD2
PHE
354
9.468
38.821
73.124
1.00
14.96

ATOM
1193
CE1
PHE
354
7.334
37.548
71.915
1.00
15.69

ATOM
1194
CE2
PHE
354
8.687
37.907
73.856
1.00
16.25

ATOM
1195
CZ
PHE
354
7.613
37.279
73.233
1.00
14.21

ATOM
1196
C
PHE
354
8.295
41.890
71.973
1.00
14.98

ATOM
1197
O
PHE
354
7.097
41.709
72.180
1.00
15.65

ATOM
1198
N
ILE
355
9.100
42.516
72.831
1.00
13.91

ATOM
1200
CA
ILE
355
8.610
43.093
74.083
1.00
15.69

ATOM
1201
CB
ILE
355
9.780
43.731
74.800
1.00
14.98

ATOM
1202
CG2
ILE
355
9.306
44.671
75.941
1.00
15.02

ATOM
1203
CG1
ILE
355
10.713
42.635
75.290
1.00
13.68

ATOM
1204
CD1
ILE
355
11.981
43.106
76.050
1.00
13.62

ATOM
1205
C
ILE
355
7.459
44.101
73.798
1.00
15.54

ATOM
1206
O
ILE
355
6.414
44.063
74.408
1.00
15.57

ATOM
1207
N
GLU
356
7.645
44.880
72.751
1.00
16.21

ATOM
1209
CA
GLU
356
6.691
45.881
72.326
1.00
17.55

ATOM
1210
CB
GLU
356
7.289
46.645
71.150
1.00
17.46

ATOM
1211
CG
GLU
356
6.388
47.565
70.371
1.00
20.93

ATOM
1212
CD
GLU
356
7.166
48.283
69.248
1.00
25.88

ATOM
1213
OE1
GLU
356
7.312
47.785
68.095
1.00
26.40

ATOM
1214
OE2
GLU
356
7.667
49.364
69.519
1.00
28.48

ATOM
1215
C
GLU
356
5.356
45.242
71.936
1.00
17.60

ATOM
1216
O
GLU
356
4.325
45.698
72.383
1.00
19.61

ATOM
1217
N
GLU
357
5.415
44.192
71.118
0.36
14.79

ATOM
1219
CA
GLU
357
4.242
43.456
70.661
0.36
12.79

ATOM
1220
CB
GLU
357
4.727
42.434
69.605
0.36
12.71

ATOM
1221
CG
GLU
357
3.842
41.280
69.204
0.36
16.32

ATOM
1222
CD
GLU
357
4.647
40.034
68.710
0.36
21.70

ATOM
1223
OE1
GLU
357
5.869
40.104
68.400
0.36
23.32

ATOM
1224
OE2
GLU
357
4.033
38.948
68.665
0.36
25.20

ATOM
1225
C
GLU
357
3.470
42.803
71.823
0.36
10.96

ATOM
1226
O
GLU
357
2.255
42.749
71.813
0.36
8.17

ATOM
1227
N
ARG
358
4.174
42.404
72.866
1.00
14.43

ATOM
1229
CA
ARG
358
3.531
41.750
74.016
1.00
14.57

ATOM
1230
CB
ARG
358
4.523
40.756
74.676
1.00
15.08

ATOM
1231
CG
ARG
358
5.074
39.682
73.719
1.00
15.68

ATOM
1232
CD
ARG
358
3.940
38.859
73.095
1.00
16.35

ATOM
1233
NE
ARG
358
2.986
38.399
74.097
1.00
20.96

ATOM
1235
CZ
ARG
358
1.710
38.155
73.826
1.00
22.73

ATOM
1236
NH1
ARG
358
1.270
38.313
72.594
1.00
19.50

ATOM
1239
NH2
ARG
358
0.860
37.789
74.773
1.00
25.50

ATOM
1242
C
ARG
358
3.005
42.728
75.054
1.00
14.70

ATOM
1243
O
ARG
358
2.633
42.324
76.146
1.00
16.87

ATOM
1244
N
ASN
359
3.036
44.025
74.755
1.00
16.35

ATOM
1246
CA
ASN
359
2.580
45.025
75.741
1.00
16.01

ATOM
1247
CB
ASN
359
1.121
44.772
76.134
1.00
17.72

ATOM
1248
CG
ASN
359
0.162
45.263
75.077
1.00
20.99

ATOM
1249
OD1
ASN
359
0.591
45.886
74.139
1.00
23.16

ATOM
1250
ND2
ASN
359
−1.126
44.936
75.193
1.00
23.65

ATOM
1253
C
ASN
359
3.441
45.185
76.985
1.00
16.43

ATOM
1254
O
ASN
359
2.945
45.523
78.062
1.00
17.27

ATOM
1255
N
TYR
360
4.731
44.912
76.859
1.00
17.35

ATOM
1257
CA
TYR
360
5.618
45.104
78.010
1.00
18.37

ATOM
1258
CB
TYR
360
6.487
43.865
78.282
1.00
17.76

ATOM
1259
CG
TYR
360
5.782
42.747
78.996
1.00
16.41

ATOM
1260
CD1
TYR
360
4.982
41.863
78.290
1.00
18.58

ATOM
1261
CE1
TYR
360
4.323
40.835
78.945
1.00
20.66

ATOM
1262
CD2
TYR
360
5.910
42.581
80.355
1.00
17.13

ATOM
1263
CE2
TYR
360
5.253
41.560
81.023
1.00
20.21

ATOM
1264
CZ
TYR
360
4.463
40.700
80.314
1.00
19.85

ATOM
1265
OH
TYR
360
3.743
39.736
80.985
1.00
26.09

ATOM
1267
C
TYR
360
6.572
46.266
77.723
1.00
17.97

ATOM
1268
O
TYR
360
6.696
46.727
76.596
1.00
14.07

ATOM
1269
N
ILE
361
7.198
46.752
78.782
1.00
18.53

ATOM
1271
CA
ILE
361
8.219
47.755
78.665
1.00
20.70

ATOM
1272
CB
ILE
361
7.779
49.180
79.175
1.00
20.42

ATOM
1273
CG2
ILE
361
6.761
49.799
78.224
1.00
20.38

ATOM
1274
CG1
ILE
361
7.310
49.121
80.610
1.00
20.54

ATOM
1275
CD1
ILE
361
7.026
50.483
81.187
1.00
24.78

ATOM
1276
C
ILE
361
9.382
47.205
79.488
1.00
21.11

ATOM
1277
O
ILE
361
9.184
46.410
80.408
1.00
23.36

ATOM
1278
N
HIS
362
10.587
47.659
79.183
1.00
20.32

ATOM
1280
CA
HIS
362
11.778
47.195
79.900
1.00
18.13

ATOM
1281
CB
HIS
362
12.876
46.935
78.865
1.00
17.63

ATOM
1282
CG
HIS
362
14.083
46.232
79.419
1.00
18.12

ATOM
1283
CD2
HIS
362
14.479
44.945
79.323
1.00
18.04

ATOM
1284
ND1
HIS
362
15.052
46.880
80.162
1.00
17.47

ATOM
1286
CE1
HIS
362
15.995
46.017
80.494
1.00
19.69

ATOM
1287
NE2
HIS
362
15.669
44.837
80.002
1.00
19.55

ATOM
1289
C
HIS
362
12.250
48.182
80.953
1.00
16.38

ATOM
1290
O
HIS
362
12.533
47.820
82.077
1.00
16.56

ATOM
1291
N
ARG
363
12.384
49.442
80.541
1.00
18.77

ATOM
1293
CA
ARG
363
12.795
50.537
81.437
1.00
19.55

ATOM
1294
CB
ARG
363
11.940
50.584
82.703
1.00
16.82

ATOM
1295
CG
ARG
363
10.450
50.871
82.432
1.00
15.69

ATOM
1296
CD
ARG
363
9.746
51.332
83.693
1.00
12.82

ATOM
1297
NE
ARG
363
9.807
50.377
84.769
1.00
16.17

ATOM
1299
CZ
ARG
363
9.719
50.708
86.044
1.00
16.47

ATOM
1300
NH1
ARG
363
9.575
51.976
86.373
1.00
21.41

ATOM
1303
NH2
ARG
363
9.731
49.787
86.988
1.00
19.50

ATOM
1306
C
ARG
363
14.258
50.557
81.853
1.00
20.13

ATOM
1307
O
ARG
363
14.649
51.438
82.576
1.00
23.91

ATOM
1308
N
ASP
364
15.058
49.579
81.441
1.00
19.03

ATOM
1310
CA
ASP
364
16.485
49.567
81.836
1.00
16.53

ATOM
1311
CB
ASP
364
16.697
48.592
82.978
1.00
19.77

ATOM
1312
CG
ASP
364
17.928
48.901
83.840
1.00
23.49

ATOM
1313
OD1
ASP
364
18.660
49.876
83.582
1.00
24.42

ATOM
1314
OD2
ASP
364
18.153
48.176
84.825
1.00
27.26

ATOM
1315
C
ASP
364
17.296
49.147
80.620
1.00
16.47

ATOM
1316
O
ASP
364
18.284
48.424
80.741
1.00
17.58

ATOM
1317
N
LEU
365
16.851
49.560
79.447
1.00
12.32

ATOM
1319
CA
LEU
365
17.519
49.247
78.203
1.00
14.67

ATOM
1320
CB
LEU
365
16.595
49.479
77.026
1.00
12.87

ATOM
1321
CG
LEU
365
17.089
49.116
75.630
1.00
11.40

ATOM
1322
CD1
LEU
365
17.468
47.618
75.584
1.00
14.03

ATOM
1323
CD2
LEU
365
16.067
49.428
74.583
1.00
7.20

ATOM
1324
C
LEU
365
18.831
50.090
78.034
1.00
19.62

ATOM
1325
O
LEU
365
18.811
51.329
77.861
1.00
21.35

ATOM
1326
N
ARG
366
19.948
49.382
78.017
1.00
18.38

ATOM
1328
CA
ARG
366
21.273
49.955
77.887
1.00
18.62

ATOM
1329
CB
ARG
366
21.668
50.625
79.207
1.00
17.23

ATOM
1330
CG
ARG
366
21.584
49.703
80.386
1.00
21.00

ATOM
1331
CD
ARG
366
21.786
50.457
81.719
1.00
23.24

ATOM
1332
NE
ARG
366
23.106
51.061
81.783
1.00
29.88

ATOM
1334
CZ
ARG
366
23.437
52.001
82.672
1.00
35.16

ATOM
1335
NH1
ARG
366
22.541
52.419
83.566
1.00
34.83

ATOM
1338
NH2
ARG
366
24.663
52.527
82.653
1.00
35.29

ATOM
1341
C
ARG
366
22.244
48.773
77.568
1.00
19.27

ATOM
1342
O
ARG
366
21.917
47.574
77.794
1.00
18.61

ATOM
1343
N
ALA
367
23.420
49.085
77.066
1.00
17.16

ATOM
1345
CA
ALA
367
24.361
48.059
76.699
1.00
14.91

ATOM
1346
CB
ALA
367
25.589
48.643
76.078
1.00
15.47

ATOM
1347
C
ALA
367
24.738
47.110
77.830
1.00
15.64

ATOM
1348
O
ALA
367
25.034
45.945
77.562
1.00
16.83

ATOM
1349
N
ALA
368
24.702
47.574
79.072
1.00
13.84

ATOM
1351
CA
ALA
368
25.020
46.728
80.192
1.00
14.87

ATOM
1352
CB
ALA
368
25.095
47.516
81.477
1.00
12.42

ATOM
1353
C
ALA
368
23.978
45.603
80.353
1.00
18.21

ATOM
1354
O
ALA
368
24.299
44.532
80.936
1.00
19.57

ATOM
1355
N
ASN
369
22.773
45.840
79.835
1.00
16.57

ATOM
1357
CA
ASN
369
21.707
44.868
79.962
1.00
17.13

ATOM
1358
CB
ASN
369
20.457
45.543
80.521
1.00
17.43

ATOM
1359
CG
ASN
369
20.656
45.924
81.965
1.00
18.16

ATOM
1360
OD1
ASN
369
21.446
45.275
82.672
1.00
18.99

ATOM
1361
ND2
ASN
369
19.982
46.986
82.416
1.00
20.31

ATOM
1364
C
ASN
369
21.429
44.042
78.706
1.00
17.54

ATOM
1365
O
ASN
369
20.324
43.535
78.510
1.00
20.01

ATOM
1366
N
ILE
370
22.392
44.022
77.805
1.00
16.12

ATOM
1368
CA
ILE
370
22.285
43.213
76.621
1.00
15.43

ATOM
1369
CB
ILE
370
22.616
43.996
75.347
1.00
13.08

ATOM
1370
CG2
ILE
370
22.685
43.061
74.163
1.00
12.36

ATOM
1371
CG1
ILE
370
21.605
45.120
75.127
1.00
14.37

ATOM
1372
CD1
ILE
370
20.119
44.695
75.114
1.00
15.62

ATOM
1373
C
ILE
370
23.389
42.142
76.825
1.00
16.79

ATOM
1374
O
ILE
370
24.515
42.470
77.255
1.00
17.04

ATOM
1375
N
LEU
371
23.062
40.857
76.617
1.00
16.45

ATOM
1377
CA
LEU
371
24.086
39.814
76.783
1.00
13.91

ATOM
1378
CB
LEU
371
23.629
38.718
77.718
1.00
11.51

ATOM
1379
CG
LEU
371
23.385
39.151
79.162
1.00
11.65

ATOM
1380
CD1
LEU
371
23.017
37.974
80.030
1.00
9.30

ATOM
1381
CD2
LEU
371
24.623
39.845
79.736
1.00
13.96

ATOM
1382
C
LEU
371
24.515
39.273
75.435
1.00
15.55

ATOM
1383
O
LEU
371
23.743
39.310
74.498
1.00
14.88

ATOM
1384
N
VAL
372
25.753
38.805
75.323
1.00
16.05

ATOM
1386
CA
VAL
372
26.276
38.352
74.048
1.00
16.97

ATOM
1387
CB
VAL
372
27.483
39.238
73.661
1.00
15.86

ATOM
1388
CG1
VAL
372
28.019
38.915
72.278
1.00
14.22

ATOM
1389
CG2
VAL
372
27.015
40.717
73.765
1.00
16.22

ATOM
1390
C
VAL
372
26.662
36.860
74.136
1.00
19.00

ATOM
1391
O
VAL
372
27.310
36.425
75.091
1.00
16.67

ATOM
1392
N
SER
373
26.176
36.084
73.171
1.00
17.20

ATOM
1394
CA
SER
373
26.443
34.661
73.173
1.00
16.49

ATOM
1395
CB
SER
373
25.401
33.903
72.382
1.00
9.61

ATOM
1396
OG
SER
373
25.609
34.133
71.002
1.00
12.51

ATOM
1398
C
SER
373
27.818
34.328
72.567
1.00
19.20

ATOM
1399
O
SER
373
28.515
35.194
71.993
1.00
18.05

ATOM
1400
N
ASP
374
28.132
33.030
72.589
1.00
19.95

ATOM
1402
CA
ASP
374
29.372
32.544
72.033
1.00
20.00

ATOM
1403
CB
ASP
374
29.589
31.078
72.391
1.00
26.17

ATOM
1404
CG
ASP
374
28.545
30.163
71.772
1.00
31.48

ATOM
1405
OD1
ASP
374
27.331
30.389
71.978
1.00
38.05

ATOM
1406
OD2
ASP
374
28.943
29.237
71.042
1.00
34.24

ATOM
1407
C
ASP
374
29.393
32.722
70.530
1.00
20.11

ATOM
1408
O
ASP
374
30.473
32.770
69.956
1.00
20.54

ATOM
1409
N
THR
375
28.233
32.821
69.871
1.00
19.69

ATOM
1411
CA
THR
375
28.237
33.030
68.402
1.00
19.16

ATOM
1412
CB
THR
375
27.161
32.200
67.721
1.00
18.19

ATOM
1413
OG1
THR
375
25.884
32.473
68.337
1.00
21.03

ATOM
1415
CG2
THR
375
27.480
30.704
67.854
1.00
22.62

ATOM
1416
C
THR
375
28.050
34.530
68.047
1.00
18.52

ATOM
1417
O
THR
375
27.761
34.892
66.912
1.00
16.67

ATOM
1418
N
LEU
376
28.207
35.375
69.055
1.00
17.98

ATOM
1420
CA
LEU
376
28.055
36.815
68.877
1.00
19.87

ATOM
1421
CB
LEU
376
29.050
37.365
67.846
1.00
16.55

ATOM
1422
CG
LEU
376
30.530
37.043
68.128
1.00
19.39

ATOM
1423
CD1
LEU
376
31.407
38.002
67.298
1.00
17.27

ATOM
1424
CD2
LEU
376
30.879
37.163
69.594
1.00
18.10

ATOM
1425
C
LEU
376
26.628
37.226
68.523
1.00
19.40

ATOM
1426
O
LEU
376
26.403
38.075
67.668
1.00
20.81

ATOM
1427
N
SER
377
25.674
36.563
69.154
1.00
17.62

ATOM
1429
CA
SER
377
24.280
36.930
68.974
1.00
16.30

ATOM
1430
CB
SER
377
23.370
35.697
68.723
1.00
10.40

ATOM
1431
OG
SER
377
23.443
34.763
69.780
1.00
11.26

ATOM
1433
C
SER
377
23.928
37.681
70.273
1.00
16.38

ATOM
1434
O
SER
377
24.550
37.456
71.330
1.00
14.77

ATOM
1435
N
CYS
378
22.993
38.632
70.165
1.00
16.82

ATOM
1437
CA
CYS
378
22.615
39.439
71.319
1.00
17.69

ATOM
1438
CB
CYS
378
22.723
40.941
70.982
1.00
18.25

ATOM
1439
SG
CYS
378
24.427
41.428
70.519
1.00
15.71

ATOM
1440
C
CYS
378
21.252
39.151
71.879
1.00
15.25

ATOM
1441
O
CYS
378
20.327
38.899
71.148
1.00
15.90

ATOM
1442
N
LYS
379
21.130
39.258
73.195
1.00
15.87

ATOM
1444
CA
LYS
379
19.873
39.054
73.836
1.00
15.83

ATOM
1445
CB
LYS
379
19.812
37.666
74.496
1.00
15.60

ATOM
1446
CG
LYS
379
20.037
36.561
73.480
1.00
19.59

ATOM
1447
CD
LYS
379
19.703
35.184
74.000
1.00
16.05

ATOM
1448
CE
LYS
379
20.029
34.207
72.859
1.00
16.48

ATOM
1449
NZ
LYS
379
19.249
32.982
72.931
1.00
14.49

ATOM
1453
C
LYS
379
19.584
40.120
74.910
1.00
15.54

ATOM
1454
O
LYS
379
20.485
40.554
75.630
1.00
14.31

ATOM
1455
N
ILE
380
18.295
40.466
75.022
1.00
14.13

ATOM
1457
CA
ILE
380
17.854
41.414
76.044
1.00
11.75

ATOM
1458
CB
ILE
380
16.375
41.897
75.825
1.00
14.77

ATOM
1459
CG2
ILE
380
16.038
43.003
76.826
1.00
12.38

ATOM
1460
CG1
ILE
380
16.131
42.369
74.372
1.00
12.86

ATOM
1461
CD1
ILE
380
17.049
43.459
73.920
1.00
15.77

ATOM
1462
C
ILE
380
17.899
40.623
77.352
1.00
12.43

ATOM
1463
O
ILE
380
17.428
39.476
77.425
1.00
11.43

ATOM
1464
N
ALA
381
18.410
41.245
78.388
1.00
12.03

ATOM
1466
CA
ALA
381
18.540
40.652
79.684
1.00
13.59

ATOM
1467
CB
ALA
381
19.984
40.229
79.914
1.00
12.83

ATOM
1468
C
ALA
381
18.103
41.691
80.759
1.00
16.54

ATOM
1469
O
ALA
381
17.777
42.833
80.432
1.00
17.99

ATOM
1470
N
ASP
382
18.145
41.285
82.023
1.00
17.83

ATOM
1472
CA
ASP
382
17.758
42.113
83.173
1.00
22.61

ATOM
1473
CB
ASP
382
18.782
43.206
83.523
1.00
24.19

ATOM
1474
CG
ASP
382
18.593
43.704
84.956
1.00
28.24

ATOM
1475
OD1
ASP
382
17.492
43.502
85.538
1.00
29.43

ATOM
1476
OD2
ASP
382
19.545
44.237
85.533
1.00
33.21

ATOM
1477
C
ASP
382
16.346
42.720
83.100
1.00
23.47

ATOM
1478
O
ASP
382
16.156
43.929
82.857
1.00
26.04

ATOM
1479
N
PHE
383
15.374
41.876
83.437
1.00
20.99

ATOM
1481
CA
PHE
383
13.971
42.238
83.431
1.00
17.65

ATOM
1482
CB
PHE
383
13.146
41.066
82.908
1.00
15.74

ATOM
1483
CG
PHE
383
13.539
40.611
81.531
1.00
11.79

ATOM
1484
CD1
PHE
383
13.033
41.254
80.412
1.00
10.41

ATOM
1485
CD2
PHE
383
14.474
39.598
81.355
1.00
6.82

ATOM
1486
CE1
PHE
383
13.449
40.906
79.140
1.00
10.63

ATOM
1487
CE2
PHE
383
14.900
39.245
80.081
1.00
7.13

ATOM
1488
CZ
PHE
383
14.401
39.887
78.985
1.00
7.27

ATOM
1489
C
PHE
383
13.441
42.694
84.793
1.00
18.53

ATOM
1490
O
PHE
383
12.226
42.734
85.010
1.00
18.76

ATOM
1491
N
GLY
384
14.340
43.042
85.696
1.00
19.19

ATOM
1493
CA
GLY
384
13.939
43.509
87.021
1.00
21.04

ATOM
1494
C
GLY
384
12.973
44.703
87.032
1.00
22.23

ATOM
1495
O
GLY
384
12.091
44.791
87.890
1.00
22.56

ATOM
1496
N
LEU
385
13.121
45.606
86.060
1.00
21.19

ATOM
1498
CA
LEU
385
12.234
46.774
86.004
1.00
21.56

ATOM
1499
CB
LEU
385
13.032
48.048
85.706
1.00
19.23

ATOM
1500
CG
LEU
385
13.985
48.510
86.806
1.00
19.18

ATOM
1501
CD1
LEU
385
14.780
49.751
86.306
1.00
21.36

ATOM
1502
CD2
LEU
385
13.200
48.842
88.046
1.00
14.38

ATOM
1503
C
LEU
385
11.150
46.625
84.962
1.00
20.62

ATOM
1504
O
LEU
385
10.322
47.522
84.802
1.00
21.37

ATOM
1505
N
ALA
386
11.191
45.528
84.211
1.00
21.92

ATOM
1507
CA
ALA
386
10.208
45.302
83.150
1.00
22.38

ATOM
1508
CB
ALA
386
10.536
44.062
82.366
1.00
21.60

ATOM
1509
C
ALA
386
8.781
45.234
83.718
1.00
22.56

ATOM
1510
O
ALA
386
8.565
44.759
84.837
1.00
22.02

ATOM
1511
N
ARG
387
7.815
45.709
82.937
1.00
22.00

ATOM
1513
CA
ARG
387
6.418
45.730
83.394
1.00
21.42

ATOM
1514
CB
ARG
387
6.052
47.080
84.021
1.00
20.93

ATOM
1515
CG
ARG
387
6.878
47.511
85.195
1.00
22.36

ATOM
1516
CD
ARG
387
6.644
46.657
86.383
1.00
20.81

ATOM
1517
NE
ARG
387
7.346
47.194
87.533
1.00
22.93

ATOM
1519
CZ
ARG
387
8.504
46.731
87.993
1.00
26.61

ATOM
1520
NH1
ARG
387
9.108
45.704
87.388
1.00
26.75

ATOM
1523
NH2
ARG
387
9.044
47.253
89.088
1.00
25.49

ATOM
1526
C
ARG
387
5.411
45.490
82.282
1.00
20.65

ATOM
1527
O
ARG
387
5.638
45.837
81.108
1.00
15.93

ATOM
1528
N
LEU
388
4.299
44.859
82.655
1.00
22.37

ATOM
1530
CA
LEU
388
3.256
44.638
81.689
1.00
25.26

ATOM
1531
CB
LEU
388
2.387
43.430
82.041
1.00
27.00

ATOM
1532
CG
LEU
388
1.550
43.223
80.779
1.00
25.08

ATOM
1533
CD1
LEU
388
1.705
41.941
79.981
1.00
26.36

ATOM
1534
CD2
LEU
388
0.247
43.295
81.355
1.00
25.06

ATOM
1535
C
LEU
388
2.457
45.939
81.683
1.00
26.73

ATOM
1536
O
LEU
388
2.148
46.495
82.723
1.00
25.72

ATOM
1537
N
ILE
389
2.160
46.425
80.496
1.00
29.26

ATOM
1539
CA
ILE
389
1.470
47.676
80.350
1.00
34.27

ATOM
1540
CB
ILE
389
2.196
48.499
79.297
1.00
35.09

ATOM
1541
CG2
ILE
389
1.467
49.722
78.935
1.00
36.03

ATOM
1542
CG1
ILE
389
3.563
48.869
79.864
1.00
36.24

ATOM
1543
CD1
ILE
389
3.507
49.506
81.264
1.00
33.80

ATOM
1544
C
ILE
389
0.018
47.434
80.058
1.00
37.44

ATOM
1545
O
ILE
389
−0.390
47.106
78.946
1.00
38.29

ATOM
1546
N
GLU
390
−0.765
47.653
81.088
1.00
40.80

ATOM
1548
CA
GLU
390
−2.186
47.422
81.022
1.00
46.41

ATOM
1549
CB
GLU
390
−2.712
47.356
82.459
1.00
48.77

ATOM
1550
CG
GLU
390
−1.681
46.711
83.434
1.00
51.74

ATOM
1551
CD
GLU
390
−1.810
45.193
83.740
1.00
55.50

ATOM
1552
OE1
GLU
390
−2.641
44.416
83.175
1.00
57.31

ATOM
1553
OE2
GLU
390
−0.984
44.799
84.598
1.00
56.71

ATOM
1554
C
GLU
390
−2.896
48.444
80.068
1.00
48.64

ATOM
1555
O
GLU
390
−3.560
48.015
79.119
1.00
50.05

ATOM
1556
N
ASP
391
−2.589
49.746
80.236
1.00
49.94

ATOM
1558
CA
ASP
391
−3.062
50.943
79.463
1.00
52.09

ATOM
1559
CB
ASP
391
−3.704
51.868
80.517
1.00
53.43

ATOM
1560
CG
ASP
391
−5.190
51.599
80.683
1.00
54.64

ATOM
1561
OD1
ASP
391
−5.816
51.546
79.605
1.00
57.00

ATOM
1562
OD2
ASP
391
−5.720
51.446
81.813
1.00
55.68

ATOM
1563
C
ASP
391
−1.720
51.530
78.813
1.00
54.45

ATOM
1564
O
ASP
391
−0.734
50.989
79.216
1.00
57.78

ATOM
1565
N
ASN
392
−1.601
52.563
77.923
1.00
54.74

ATOM
1567
CA
ASN
392
−0.222
53.004
77.344
1.00
54.25

ATOM
1568
CB
ASN
392
−0.281
54.412
76.624
1.00
57.84

ATOM
1569
CG
ASN
392
0.774
54.671
75.390
1.00
61.35

ATOM
1570
OD1
ASN
392
1.285
53.777
74.659
1.00
63.64

ATOM
1571
ND2
ASN
392
0.926
55.982
75.103
1.00
64.17

ATOM
1574
C
ASN
392
0.909
53.201
78.360
1.00
51.44

ATOM
1575
O
ASN
392
2.071
53.027
78.005
1.00
50.36

ATOM
1576
N
GLU
393
0.598
53.413
79.630
1.00
48.28

ATOM
1578
CA
GLU
393
1.703
53.844
80.469
1.00
46.79

ATOM
1579
CB
GLU
393
1.505
55.343
80.475
1.00
46.89

ATOM
1580
CG
GLU
393
2.546
56.345
80.691
1.00
46.44

ATOM
1581
CD
GLU
393
1.801
57.659
80.529
1.00
46.39

ATOM
1582
OE1
GLU
393
1.063
58.050
81.476
1.00
45.21

ATOM
1583
OE2
GLU
393
1.773
58.175
79.384
1.00
45.38

ATOM
1584
C
GLU
393
1.852
53.352
81.891
1.00
46.03

ATOM
1585
O
GLU
393
0.867
53.073
82.583
1.00
47.03

ATOM
1586
N
TYR
394
3.106
53.298
82.336
1.00
43.40

ATOM
1588
CA
TYR
394
3.368
52.883
83.697
1.00
40.15

ATOM
1589
CB
TYR
394
4.177
51.595
83.765
1.00
38.62

ATOM
1590
CG
TYR
394
4.416
51.044
85.153
1.00
38.07

ATOM
1591
CD1
TYR
394
5.245
51.714
86.025
1.00
39.62

ATOM
1592
CE1
TYR
394
5.630
51.162
87.222
1.00
42.24

ATOM
1593
CD2
TYR
394
3.946
49.783
85.532
1.00
40.01

ATOM
1594
CE2
TYR
394
4.328
49.204
86.751
1.00
40.87

ATOM
1595
CZ
TYR
394
5.186
49.907
87.591
1.00
43.04

ATOM
1596
OH
TYR
394
5.669
49.391
88.778
1.00
46.90

ATOM
1598
C
TYR
394
4.027
54.037
84.428
1.00
40.06

ATOM
1599
O
TYR
394
5.016
54.637
83.968
1.00
40.48

ATOM
1600
N
THR
395
3.494
54.314
85.605
1.00
40.62

ATOM
1602
CA
THR
395
3.996
55.420
86.394
1.00
39.68

ATOM
1603
CB
THR
395
2.833
56.407
86.622
1.00
36.39

ATOM
1604
OG1
THR
395
2.416
56.900
85.345
1.00
35.31

ATOM
1606
CG2
THR
395
3.269
57.568
87.421
1.00
34.94

ATOM
1607
C
THR
395
4.793
55.021
87.646
1.00
40.23

ATOM
1608
O
THR
395
4.261
54.422
88.561
1.00
42.34

ATOM
1609
N
ALA
396
6.094
55.301
87.652
1.00
40.72

ATOM
1611
CA
ALA
396
6.936
54.917
88.793
1.00
42.94

ATOM
1612
CB
ALA
396
8.401
55.095
88.459
1.00
42.40

ATOM
1613
C
ALA
396
6.652
55.661
90.064
1.00
45.64

ATOM
1614
O
ALA
396
5.918
56.635
90.044
1.00
47.05

ATOM
1615
N
ARG
397
7.312
55.274
91.152
1.00
48.85

ATOM
1617
CA
ARG
397
7.118
55.986
92.409
1.00
52.23

ATOM
1618
CB
ARG
397
7.631
55.177
93.578
1.00
51.92

ATOM
1619
CG
ARG
397
7.441
55.909
94.893
1.00
56.10

ATOM
1620
CD
ARG
397
7.539
54.933
96.067
1.00
57.82

ATOM
1621
NE
ARG
397
7.418
55.586
97.366
1.00
56.39

ATOM
1623
CZ
ARG
397
6.985
54.972
98.459
1.00
55.20

ATOM
1624
NH1
ARG
397
6.624
53.694
98.400
1.00
53.82

ATOM
1627
NH2
ARG
397
6.934
55.634
99.602
1.00
55.03

ATOM
1630
C
ARG
397
7.816
57.358
92.363
1.00
54.99

ATOM
1631
O
ARG
397
8.851
57.505
91.714
1.00
55.96

ATOM
1632
N
GLU
398
7.239
58.380
92.988
1.00
56.91

ATOM
1634
CA
GLU
398
7.884
59.688
92.932
1.00
59.37

ATOM
1635
CB
GLU
398
7.106
60.765
93.703
1.00
62.54

ATOM
1636
CG
GLU
398
5.719
61.103
93.140
1.00
66.92

ATOM
1637
CD
GLU
398
5.758
61.532
91.681
1.00
70.31

ATOM
1638
OE1
GLU
398
6.843
61.954
91.212
1.00
74.49

ATOM
1639
OE2
GLU
398
4.703
61.414
91.022
1.00
71.70

ATOM
1640
C
GLU
398
9.298
59.578
93.469
1.00
59.04

ATOM
1641
O
GLU
398
10.211
60.249
92.988
1.00
58.64

ATOM
1642
N
GLY
399
9.482
58.692
94.444
1.00
57.92

ATOM
1644
CA
GLY
399
10.799
58.527
95.010
1.00
55.73

ATOM
1645
C
GLY
399
11.724
57.759
94.081
1.00
53.26

ATOM
1646
O
GLY
399
12.920
57.684
94.327
1.00
54.49

ATOM
1647
N
ALA
400
11.182
57.195
93.011
1.00
50.53

ATOM
1649
CA
ALA
400
12.004
56.401
92.092
1.00
49.36

ATOM
1650
CB
ALA
400
11.126
55.624
91.107
1.00
47.55

ATOM
1651
C
ALA
400
12.988
57.254
91.331
1.00
48.46

ATOM
1652
O
ALA
400
12.627
58.312
90.838
1.00
51.06

ATOM
1653
N
ALA
401
14.170
56.724
91.100
1.00
46.01

ATOM
1655
CA
ALA
401
15.170
57.496
90.478
1.00
44.15

ATOM
1656
CB
ALA
401
16.096
57.908
91.591
1.00
45.07

ATOM
1657
C
ALA
401
15.864
56.589
89.359
1.00
41.57

ATOM
1658
O
ALA
401
16.039
55.375
89.578
1.00
40.99

ATOM
1659
N
PHE
402
16.052
57.085
88.130
1.00
38.21

ATOM
1661
CA
PHE
402
16.627
56.248
87.072
1.00
35.49

ATOM
1662
CB
PHE
402
15.606
55.988
85.941
1.00
35.98

ATOM
1663
CG
PHE
402
14.368
55.247
86.382
1.00
39.61

ATOM
1664
CD1
PHE
402
14.299
53.843
86.361
1.00
40.06

ATOM
1665
CD2
PHE
402
13.289
55.959
86.919
1.00
41.14

ATOM
1666
CE1
PHE
402
13.161
53.164
86.893
1.00
40.16

ATOM
1667
CE2
PHE
402
12.155
55.293
87.446
1.00
40.96

ATOM
1668
CZ
PHE
402
12.098
53.899
87.436
1.00
41.14

ATOM
1669
C
PHE
402
17.865
56.933
86.483
1.00
34.30

ATOM
1670
O
PHE
402
18.058
58.136
86.674
1.00
36.67

ATOM
1671
N
PRO
403
18.722
56.166
85.781
1.00
30.75

ATOM
1672
CD
PRO
403
18.577
54.718
85.543
1.00
30.65

ATOM
1673
CA
PRO
403
19.951
56.689
85.159
1.00
28.50

ATOM
1674
CB
PRO
403
20.524
55.465
84.409
1.00
29.37

ATOM
1675
CG
PRO
403
19.990
54.288
85.229
1.00
30.78

ATOM
1676
C
PRO
403
19.567
57.772
84.181
1.00
26.46

ATOM
1677
O
PRO
403
18.963
57.493
83.152
1.00
26.61

ATOM
1678
N
ILE
404
19.941
59.004
84.496
1.00
24.48

ATOM
1680
CA
ILE
404
19.627
60.141
83.673
1.00
20.10

ATOM
1681
CB
ILE
404
20.211
61.446
84.297
1.00
22.53

ATOM
1682
CG2
ILE
404
20.006
62.648
83.363
1.00
19.44

ATOM
1683
CG1
ILE
404
19.574
61.677
85.652
1.00
24.54

ATOM
1684
CD1
ILE
404
18.040
61.803
85.603
1.00
27.14

ATOM
1685
C
ILE
404
20.051
60.036
82.228
1.00
18.42

ATOM
1686
O
ILE
404
19.273
60.342
81.342
1.00
19.08

ATOM
1687
N
LYS
405
21.274
59.613
81.968
1.00
19.47

ATOM
1689
CA
LYS
405
21.741
59.560
80.575
1.00
17.69

ATOM
1690
CB
LYS
405
23.244
59.319
80.543
1.00
19.78

ATOM
1691
CG
LYS
405
24.007
60.419
81.214
1.00
20.91

ATOM
1692
CD
LYS
405
25.504
60.285
81.004
1.00
25.68

ATOM
1693
CE
LYS
405
26.228
61.491
81.594
1.00
25.97

ATOM
1694
NZ
LYS
405
27.619
61.628
81.058
1.00
30.78

ATOM
1698
C
LYS
405
21.024
58.584
79.649
1.00
17.59

ATOM
1699
O
LYS
405
20.997
58.781
78.447
1.00
17.74

ATOM
1700
N
TRP
406
20.439
57.533
80.198
1.00
17.75

ATOM
1702
CA
TRP
406
19.742
56.538
79.383
1.00
18.37

ATOM
1703
CB
TRP
406
20.066
55.132
79.897
1.00
19.40

ATOM
1704
CG
TRP
406
21.359
54.653
79.472
1.00
18.94

ATOM
1705
CD2
TRP
406
22.628
54.844
80.122
1.00
19.38

ATOM
1706
CE2
TRP
406
23.589
54.168
79.342
1.00
18.92

ATOM
1707
CE3
TRP
406
23.035
55.510
81.292
1.00
17.63

ATOM
1708
CD1
TRP
406
21.603
53.907
78.360
1.00
18.56

ATOM
1709
NE1
TRP
406
22.938
53.613
78.272
1.00
18.76

ATOM
1711
CZ2
TRP
406
24.934
54.135
79.684
1.00
18.38

ATOM
1712
CZ3
TRP
406
24.373
55.472
81.631
1.00
18.43

ATOM
1713
CH2
TRP
406
25.313
54.790
80.827
1.00
20.51

ATOM
1714
C
TRP
406
18.221
56.667
79.414
1.00
20.12

ATOM
1715
O
TRP
406
17.529
56.117
78.571
1.00
19.54

ATOM
1716
N
THR
407
17.701
57.377
80.400
1.00
21.90

ATOM
1718
CA
THR
407
16.273
57.481
80.565
1.00
20.95

ATOM
1719
CB
THR
407
15.975
57.565
82.053
1.00
21.49

ATOM
1720
OG1
THR
407
16.572
56.449
82.731
1.00
21.33

ATOM
1722
CG2
THR
407
14.463
57.568
82.320
1.00
20.08

ATOM
1723
C
THR
407
15.595
58.637
79.784
1.00
21.99

ATOM
1724
O
THR
407
16.066
59.766
79.777
1.00
21.47

ATOM
1725
N
ALA
408
14.453
58.355
79.160
1.00
21.85

ATOM
1727
CA
ALA
408
13.698
59.383
78.403
1.00
21.61

ATOM
1728
CB
ALA
408
12.470
58.761
77.725
1.00
22.58

ATOM
1729
C
ALA
408
13.260
60.533
79.311
1.00
21.12

ATOM
1730
O
ALA
408
12.942
60.343
80.479
1.00
22.30

ATOM
1731
N
PRO
409
13.197
61.739
78.768
1.00
22.37

ATOM
1732
CD
PRO
409
13.479
62.088
77.367
1.00
21.70

ATOM
1733
CA
PRO
409
12.799
62.939
79.540
1.00
22.65

ATOM
1734
CB
PRO
409
12.767
64.041
78.477
1.00
21.61

ATOM
1735
CG
PRO
409
13.763
63.578
77.460
1.00
21.10

ATOM
1736
C
PRO
409
11.448
62.800
80.264
1.00
23.34

ATOM
1737
O
PRO
409
11.357
63.092
81.452
1.00
23.23

ATOM
1738
N
GLU
410
10.435
62.271
79.586
1.00
24.26

ATOM
1740
CA
GLU
410
9.136
62.137
80.239
1.00
23.57

ATOM
1741
CB
GLU
410
8.043
61.687
79.274
1.00
23.95

ATOM
1742
CG
GLU
410
8.173
60.240
78.775
1.00
25.44

ATOM
1743
CD
GLU
410
9.123
60.042
77.597
1.00
27.31

ATOM
1744
OE1
GLU
410
9.817
60.995
77.159
1.00
26.56

ATOM
1745
OE2
GLU
410
9.158
58.915
77.064
1.00
27.58

ATOM
1746
C
GLU
410
9.210
61.207
81.415
1.00
24.83

ATOM
1747
O
GLU
410
8.489
61.424
82.394
1.00
28.35

ATOM
1748
N
ALA
411
10.090
60.204
81.361
1.00
24.70

ATOM
1750
CA
ALA
411
10.232
59.291
82.489
1.00
24.06

ATOM
1751
CB
ALA
411
10.948
58.015
82.063
1.00
23.48

ATOM
1752
C
ALA
411
10.989
59.983
83.600
1.00
22.89

ATOM
1753
O
ALA
411
10.670
59.809
84.759
1.00
23.57

ATOM
1754
N
ILE
412
12.036
60.730
83.251
1.00
23.82

ATOM
1756
CA
ILE
412
12.805
61.463
84.279
1.00
24.62

ATOM
1757
CB
ILE
412
14.035
62.160
83.657
1.00
26.65

ATOM
1758
CG2
ILE
412
14.670
63.166
84.650
1.00
24.30

ATOM
1759
CG1
ILE
412
15.068
61.128
83.198
1.00
26.80

ATOM
1760
CD1
ILE
412
16.199
61.747
82.363
1.00
29.02

ATOM
1761
C
ILE
412
11.929
62.559
84.948
1.00
23.45

ATOM
1762
O
ILE
412
11.891
62.693
86.161
1.00
21.71

ATOM
1763
N
ASN
413
11.191
63.292
84.129
1.00
23.22

ATOM
1765
CA
ASN
413
10.351
64.386
84.611
1.00
27.01

ATOM
1766
CB
ASN
413
10.090
65.380
83.455
1.00
25.92

ATOM
1767
CG
ASN
413
11.326
66.208
83.129
1.00
25.74

ATOM
1768
OD1
ASN
413
12.269
66.197
83.880
1.00
27.88

ATOM
1769
ND2
ASN
413
11.268
66.991
82.074
1.00
28.60

ATOM
1772
C
ASN
413
9.013
64.013
85.297
1.00
28.43

ATOM
1773
O
ASN
413
8.657
64.566
86.337
1.00
28.15

ATOM
1774
N
TYR
414
8.315
63.038
84.722
1.00
30.08

ATOM
1776
CA
TYR
414
7.026
62.645
85.253
1.00
30.85

ATOM
1777
CB
TYR
414
5.985
62.791
84.173
1.00
29.88

ATOM
1778
CG
TYR
414
6.134
64.027
83.348
1.00
32.03

ATOM
1779
CD1
TYR
414
6.387
65.269
83.946
1.00
33.46

ATOM
1780
CE1
TYR
414
6.507
66.424
83.184
1.00
33.49

ATOM
1781
CD2
TYR
414
6.012
63.984
81.971
1.00
33.51

ATOM
1782
CE2
TYR
414
6.130
65.131
81.202
1.00
34.46

ATOM
1783
CZ
TYR
414
6.376
66.344
81.814
1.00
35.28

ATOM
1784
OH
TYR
414
6.487
67.473
81.042
1.00
37.44

ATOM
1786
C
TYR
414
6.946
61.239
85.810
1.00
30.61

ATOM
1787
O
TYR
414
5.931
60.884
86.397
1.00
32.49

ATOM
1788
N
GLY
415
8.002
60.450
85.633
1.00
29.99

ATOM
1790
CA
GLY
415
7.966
59.086
86.132
1.00
28.82

ATOM
1791
C
GLY
415
7.089
58.242
85.206
1.00
28.52

ATOM
1792
O
GLY
415
6.753
57.092
85.481
1.00
27.98

ATOM
1793
N
THR
416
6.798
58.817
84.057
1.00
27.94

ATOM
1795
CA
THR
416
5.954
58.204
83.076
1.00
29.92

ATOM
1796
CB
THR
416
5.011
59.322
82.598
1.00
32.60

ATOM
1797
OG1
THR
416
3.682
58.995
83.011
1.00
37.83

ATOM
1799
CG2
THR
416
5.107
59.645
81.141
1.00
34.29

ATOM
1800
C
THR
416
6.735
57.382
81.997
1.00
28.19

ATOM
1801
O
THR
416
7.563
57.923
81.263
1.00
28.30

ATOM
1802
N
PHE
417
6.534
56.058
81.996
1.00
25.95

ATOM
1804
CA
PHE
417
7.252
55.157
81.088
1.00
22.72

ATOM
1805
CB
PHE
417
7.960
54.053
81.929
1.00
22.06

ATOM
1806
CG
PHE
417
9.240
54.463
82.623
1.00
19.89

ATOM
1807
CD1
PHE
417
10.423
54.495
81.896
1.00
20.48

ATOM
1808
CD2
PHE
417
9.318
54.638
84.014
1.00
19.95

ATOM
1809
CE1
PHE
417
11.633
54.672
82.495
1.00
18.79

ATOM
1810
CE2
PHE
417
10.607
54.820
84.620
1.00
20.32

ATOM
1811
CZ
PHE
417
11.732
54.828
83.830
1.00
20.05

ATOM
1812
C
PHE
417
6.343
54.447
80.051
1.00
21.56

ATOM
1813
O
PHE
417
5.266
53.981
80.389
1.00
20.78

ATOM
1814
N
THR
418
6.747
54.431
78.783
1.00
19.69

ATOM
1816
CA
THR
418
6.007
53.693
77.764
1.00
20.67

ATOM
1817
CB
THR
418
5.148
54.590
76.854
1.00
20.26

ATOM
1818
OG1
THR
418
6.015
55.312
76.008
1.00
25.33

ATOM
1820
CG2
THR
418
4.271
55.562
77.684
1.00
21.05

ATOM
1821
C
THR
418
7.056
52.981
76.873
1.00
20.77

ATOM
1822
O
THR
418
8.262
53.163
77.050
1.00
20.46

ATOM
1823
N
ILE
419
6.628
52.204
75.894
1.00
19.91

ATOM
1825
CA
ILE
419
7.596
51.546
75.059
1.00
19.28

ATOM
1826
CB
ILE
419
6.906
50.615
74.033
1.00
19.61

ATOM
1827
CG2
ILE
419
6.084
51.447
73.012
1.00
17.68

ATOM
1828
CG1
ILE
419
7.932
49.725
73.275
1.00
16.37

ATOM
1829
CD1
ILE
419
8.633
48.748
74.143
1.00
11.47

ATOM
1830
C
ILE
419
8.439
52.641
74.341
1.00
20.48

ATOM
1831
O
ILE
419
9.552
52.369
73.871
1.00
19.11

ATOM
1832
N
LYS
420
7.866
53.847
74.198
1.00
19.01

ATOM
1834
CA
LYS
420
8.554
54.973
73.550
1.00
16.10

ATOM
1835
CB
LYS
420
7.588
56.126
73.250
1.00
15.15

ATOM
1836
CG
LYS
420
6.484
55.787
72.239
1.00
15.77

ATOM
1837
CD
LYS
420
7.047
55.221
70.937
1.00
14.36

ATOM
1838
CE
LYS
420
5.948
55.081
69.907
1.00
7.71

ATOM
1839
NZ
LYS
420
6.454
54.493
68.641
1.00
12.60

ATOM
1843
C
LYS
420
9.713
55.474
74.404
1.00
14.10

ATOM
1844
O
LYS
420
10.612
56.062
73.882
1.00
15.75

ATOM
1845
N
SER
421
9.634
55.280
75.719
0.84
11.80

ATOM
1847
CA
SER
421
10.705
55.605
76.605
0.84
11.53

ATOM
1848
CB
SER
421
10.288
55.456
78.074
0.84
10.22

ATOM
1849
OG
SER
421
9.162
56.223
78.370
0.84
13.84

ATOM
1851
C
SER
421
11.856
54.618
76.329
0.84
13.00

ATOM
1852
O
SER
421
13.032
54.979
76.449
0.84
11.53

ATOM
1853
N
ASP
422
11.528
53.348
76.074
1.00
15.55

ATOM
1855
CA
ASP
422
12.561
52.353
75.775
1.00
14.65

ATOM
1856
CB
ASP
422
11.968
50.948
75.674
1.00
15.84

ATOM
1857
CG
ASP
422
11.668
50.329
77.007
1.00
17.56

ATOM
1858
OD1
ASP
422
12.194
50.768
78.064
1.00
17.02

ATOM
1859
OD2
ASP
422
10.879
49.371
76.982
1.00
18.39

ATOM
1860
C
ASP
422
13.211
52.708
74.447
1.00
15.67

ATOM
1861
O
ASP
422
14.403
52.482
74.256
1.00
18.05

ATOM
1862
N
VAL
423
12.419
53.237
73.518
1.00
14.52

ATOM
1864
CA
VAL
423
12.956
53.641
72.215
1.00
14.96

ATOM
1865
CB
VAL
423
11.852
54.135
71.290
1.00
13.71

ATOM
1866
CG1
VAL
423
12.434
54.804
70.050
1.00
11.97

ATOM
1867
CG2
VAL
423
10.995
52.940
70.853
1.00
11.91

ATOM
1868
C
VAL
423
14.042
54.737
72.400
1.00
15.31

ATOM
1869
O
VAL
423
15.084
54.665
71.765
1.00
16.48

ATOM
1870
N
TRP
424
13.786
55.679
73.309
1.00
14.64

ATOM
1872
CA
TRP
424
14.778
56.726
73.584
1.00
16.07

ATOM
1873
CB
TRP
424
14.229
57.698
74.643
1.00
16.52

ATOM
1874
CG
TRP
424
15.185
58.718
75.027
1.00
18.45

ATOM
1875
CD2
TRP
424
15.141
60.102
74.686
1.00
18.79

ATOM
1876
CE2
TRP
424
16.277
60.700
75.259
1.00
19.83

ATOM
1877
CE3
TRP
424
14.239
60.887
73.958
1.00
20.12

ATOM
1878
CD1
TRP
424
16.312
58.548
75.780
1.00
18.97

ATOM
1879
NE1
TRP
424
16.961
59.724
75.931
1.00
16.31

ATOM
1881
CZ2
TRP
424
16.561
62.081
75.122
1.00
20.80

ATOM
1882
CZ3
TRP
424
14.506
62.268
73.824
1.00
19.39

ATOM
1883
CH2
TRP
424
15.655
62.840
74.397
1.00
19.97

ATOM
1884
C
TRP
424
16.060
56.041
74.127
1.00
12.71

ATOM
1885
O
TRP
424
17.176
56.337
73.641
1.00
11.08

ATOM
1886
N
SER
425
15.884
55.140
75.103
0.74
8.75

ATOM
1888
CA
SER
425
17.020
54.421
75.678
0.74
10.92

ATOM
1889
CB
SER
425
16.555
53.443
76.749
0.74
12.58

ATOM
1890
OG
SER
425
15.843
54.097
77.763
0.74
14.72

ATOM
1892
C
SER
425
17.785
53.651
74.607
0.74
10.97

ATOM
1893
O
SER
425
19.010
53.594
74.636
0.74
12.46

ATOM
1894
N
PHE
426
17.057
53.069
73.661
1.00
11.96

ATOM
1896
CA
PHE
426
17.696
52.350
72.579
1.00
13.86

ATOM
1897
CB
PHE
426
16.674
51.731
71.656
1.00
11.32

ATOM
1898
CG
PHE
426
17.268
50.930
70.536
1.00
12.43

ATOM
1899
CD1
PHE
426
17.850
49.676
70.798
1.00
11.39

ATOM
1900
CD2
PHE
426
17.279
51.424
69.249
1.00
11.59

ATOM
1901
CE1
PHE
426
18.419
48.961
69.779
1.00
10.37

ATOM
1902
CE2
PHE
426
17.866
50.689
68.215
1.00
11.36

ATOM
1903
CZ
PHE
426
18.430
49.456
68.498
1.00
9.95

ATOM
1904
C
PHE
426
18.619
53.298
71.807
1.00
14.91

ATOM
1905
O
PHE
426
19.710
52.881
71.379
1.00
16.79

ATOM
1906
N
GLY
427
18.175
54.530
71.574
1.00
15.14

ATOM
1908
CA
GLY
427
19.005
55.494
70.858
1.00
16.07

ATOM
1909
C
GLY
427
20.333
55.675
71.592
1.00
15.29

ATOM
1910
O
GLY
427
21.367
55.736
70.961
1.00
15.59

ATOM
1911
N
ILE
428
20.274
55.821
72.915
1.00
13.04

ATOM
1913
CA
ILE
428
21.435
55.958
73.739
1.00
13.65

ATOM
1914
CB
ILE
428
21.042
56.193
75.213
1.00
15.69

ATOM
1915
CG2
ILE
428
22.306
56.326
76.077
1.00
14.46

ATOM
1916
CG1
ILE
428
20.175
57.467
75.342
1.00
17.63

ATOM
1917
CD1
ILE
428
20.855
58.757
74.831
1.00
15.45

ATOM
1918
C
ILE
428
22.304
54.666
73.630
1.00
16.99

ATOM
1919
O
ILE
428
23.523
54.728
73.492
1.00
14.96

ATOM
1920
N
LEU
429
21.654
53.513
73.675
1.00
18.20

ATOM
1922
CA
LEU
429
22.349
52.229
73.557
1.00
18.84

ATOM
1923
CB
LEU
429
21.344
51.066
73.695
1.00
19.87

ATOM
1924
CG
LEU
429
21.890
49.653
73.876
1.00
20.75

ATOM
1925
CD1
LEU
429
20.791
48.727
74.436
1.00
18.75

ATOM
1926
CD2
LEU
429
22.409
49.128
72.549
1.00
21.10

ATOM
1927
C
LEU
429
23.113
52.182
72.238
1.00
17.14

ATOM
1928
O
LEU
429
24.239
51.706
72.197
1.00
17.44

ATOM
1929
N
LEU
430
22.525
52.706
71.164
1.00
15.39

ATOM
1931
CA
LEU
430
23.241
52.725
69.908
1.00
15.10

ATOM
1932
CB
LEU
430
22.412
53.360
68.800
1.00
15.61

ATOM
1933
CG
LEU
430
21.155
52.641
68.351
1.00
18.59

ATOM
1934
CD1
LEU
430
20.470
53.464
67.278
1.00
14.20

ATOM
1935
CD2
LEU
430
21.518
51.242
67.828
1.00
16.64

ATOM
1936
C
LEU
430
24.587
53.492
70.017
1.00
16.62

ATOM
1937
O
LEU
430
25.539
53.148
69.330
1.00
15.61

ATOM
1938
N
THR
431
24.644
54.537
70.847
1.00
19.39

ATOM
1940
CA
THR
431
25.901
55.294
71.008
1.00
19.11

ATOM
1941
CB
THR
431
25.742
56.667
71.758
1.00
15.34

ATOM
1942
OG1
THR
431
25.465
56.469
73.143
1.00
12.80

ATOM
1944
CG2
THR
431
24.630
57.456
71.164
1.00
13.08

ATOM
1945
C
THR
431
26.909
54.411
71.733
1.00
19.79

ATOM
1946
O
THR
431
28.105
54.447
71.414
1.00
20.57

ATOM
1947
N
GLU
432
26.444
53.600
72.693
1.00
19.43

ATOM
1949
CA
GLU
432
27.361
52.697
73.389
1.00
18.07

ATOM
1950
CB
GLU
432
26.665
51.930
74.493
1.00
19.17

ATOM
1951
CG
GLU
432
26.127
52.805
75.603
1.00
17.14

ATOM
1952
CD
GLU
432
25.461
52.018
76.673
1.00
17.70

ATOM
1953
OE1
GLU
432
24.287
51.671
76.452
1.00
15.03

ATOM
1954
OE2
GLU
432
26.089
51.738
77.711
1.00
21.38

ATOM
1955
C
GLU
432
27.935
51.673
72.387
1.00
20.42

ATOM
1956
O
GLU
432
29.117
51.311
72.447
1.00
21.99

ATOM
1957
N
ILE
433
27.124
51.244
71.442
1.00
17.57

ATOM
1959
CA
ILE
433
27.610
50.277
70.481
1.00
17.15

ATOM
1960
CB
ILE
433
26.456
49.748
69.615
1.00
13.48

ATOM
1961
CG2
ILE
433
26.969
49.056
68.369
1.00
14.99

ATOM
1962
CG1
ILE
433
25.569
48.827
70.453
1.00
14.70

ATOM
1963
CD1
ILE
433
24.356
48.293
69.661
1.00
15.32

ATOM
1964
C
ILE
433
28.712
50.851
69.583
1.00
19.95

ATOM
1965
O
ILE
433
29.805
50.280
69.460
1.00
21.11

ATOM
1966
N
VAL
434
28.420
51.988
68.953
1.00
20.59

ATOM
1968
CA
VAL
434
29.353
52.602
68.038
1.00
19.04

ATOM
1969
CB
VAL
434
28.610
53.644
67.140
1.00
19.75

ATOM
1970
CG1
VAL
434
28.609
55.040
67.759
1.00
16.22

ATOM
1971
CG2
VAL
434
29.164
53.625
65.724
1.00
22.03

ATOM
1972
C
VAL
434
30.650
53.137
68.721
1.00
18.85

ATOM
1973
O
VAL
434
31.668
53.256
68.078
1.00
21.33

ATOM
1974
N
THR
435
30.626
53.364
70.026
1.00
18.23

ATOM
1976
CA
THR
435
31.824
53.837
70.716
1.00
18.93

ATOM
1977
CB
THR
435
31.495
54.993
71.674
1.00
16.49

ATOM
1978
OG1
THR
435
30.641
54.492
72.693
1.00
16.60

ATOM
1980
CG2
THR
435
30.795
56.146
70.909
1.00
12.43

ATOM
1981
C
THR
435
32.485
52.714
71.546
1.00
21.45

ATOM
1982
O
THR
435
33.347
52.983
72.400
1.00
20.04

ATOM
1983
N
HIS
436
32.077
51.460
71.293
1.00
20.62

ATOM
1985
CA
HIS
436
32.610
50.333
72.044
1.00
19.62

ATOM
1986
CB
HIS
436
34.038
50.024
71.638
1.00
23.29

ATOM
1987
CG
HIS
436
34.155
49.533
70.236
1.00
25.16

ATOM
1988
CD2
HIS
436
34.147
50.195
69.060
1.00
26.06

ATOM
1989
ND1
HIS
436
34.209
48.184
69.919
1.00
26.86

ATOM
1991
CE1
HIS
436
34.212
48.047
68.596
1.00
24.56

ATOM
1992
NE2
HIS
436
34.174
49.251
68.056
1.00
26.47

ATOM
1994
C
HIS
436
32.515
50.473
73.540
1.00
18.57

ATOM
1995
O
HIS
436
33.474
50.250
74.248
1.00
19.06

ATOM
1996
N
GLY
437
31.342
50.884
74.001
1.00
19.54

ATOM
1998
CA
GLY
437
31.109
50.994
75.427
1.00
18.07

ATOM
1999
C
GLY
437
31.368
52.280
76.155
1.00
19.71

ATOM
2000
O
GLY
437
31.265
52.264
77.382
1.00
23.18

ATOM
2001
N
ARG
438
31.625
53.379
75.451
0.58
17.74

ATOM
2003
CA
ARG
438
31.863
54.659
76.118
0.58
16.96

ATOM
2004
CB
ARG
438
32.322
55.699
75.072
0.58
18.69

ATOM
2005
CG
ARG
438
32.916
56.962
75.643
0.58
24.05

ATOM
2006
CD
ARG
438
33.318
57.941
74.525
0.58
24.65

ATOM
2007
NE
ARG
438
34.286
58.933
74.994
0.58
30.19

ATOM
2009
CZ
ARG
438
34.556
60.070
74.353
0.58
31.90

ATOM
2010
NH1
ARG
438
33.936
60.369
73.228
0.58
34.48

ATOM
2013
NH2
ARG
438
35.437
60.923
74.844
0.58
34.48

ATOM
2016
C
ARG
438
30.591
55.152
76.810
0.58
15.26

ATOM
2017
O
ARG
438
29.497
54.837
76.393
0.58
13.56

ATOM
2018
N
ILE
439
30.735
55.878
77.901
1.00
16.65

ATOM
2020
CA
ILE
439
29.608
56.467
78.618
1.00
17.06

ATOM
2021
CB
ILE
439
30.086
57.074
79.945
1.00
20.85

ATOM
2022
CG2
ILE
439
28.983
57.937
80.589
1.00
21.06

ATOM
2023
CG1
ILE
439
30.501
55.933
80.883
1.00
21.92

ATOM
2024
CD1
ILE
439
31.070
56.392
82.180
1.00
22.55

ATOM
2025
C
ILE
439
29.001
57.572
77.748
1.00
15.41

ATOM
2026
O
ILE
439
29.752
58.391
77.165
1.00
16.20

ATOM
2027
N
PRO
440
27.665
57.580
77.594
0.43
10.45

ATOM
2028
CD
PRO
440
26.703
56.670
78.229
0.43
5.92

ATOM
2029
CA
PRO
440
26.983
58.587
76.776
0.43
9.30

ATOM
2030
CB
PRO
440
25.516
58.151
76.850
0.43
7.88

ATOM
2031
CG
PRO
440
25.433
57.460
78.165
0.43
7.57

ATOM
2032
C
PRO
440
27.190
60.024
77.272
0.43
8.71

ATOM
2033
O
PRO
440
27.501
60.252
78.432
0.43
6.28

ATOM
2034
N
TYR
441
27.103
60.972
76.359
1.00
11.99

ATOM
2036
CA
TYR
441
27.259
62.401
76.693
1.00
16.68

ATOM
2037
CB
TYR
441
26.179
62.876
77.658
1.00
14.19

ATOM
2038
CG
TYR
441
24.789
62.722
77.105
1.00
16.13

ATOM
2039
CD1
TYR
441
24.265
63.645
76.185
1.00
13.76

ATOM
2040
CE1
TYR
441
22.966
63.522
75.713
1.00
14.57

ATOM
2041
CD2
TYR
441
23.973
61.666
77.526
1.00
15.68

ATOM
2042
CE2
TYR
441
22.671
61.524
77.057
1.00
14.69

ATOM
2043
CZ
TYR
441
22.168
62.465
76.146
1.00
16.03

ATOM
2044
OH
TYR
441
20.870
62.338
75.699
1.00
16.22

ATOM
2046
C
TYR
441
28.635
62.642
77.299
1.00
19.83

ATOM
2047
O
TYR
441
28.761
63.055
78.433
1.00
22.48

ATOM
2048
N
PRO
442
29.683
62.308
76.550
1.00
21.96

ATOM
2049
CD
PRO
442
29.621
61.815
75.149
1.00
23.72

ATOM
2050
CA
PRO
442
31.058
62.478
76.991
1.00
24.18

ATOM
2051
CB
PRO
442
31.849
62.276
75.687
1.00
23.93

ATOM
2052
CG
PRO
442
30.987
61.262
74.932
1.00
23.15

ATOM
2053
C
PRO
442
31.353
63.888
77.593
1.00
23.56

ATOM
2054
O
PRO
442
30.954
64.906
77.047
1.00
22.74

ATOM
2055
N
GLY
443
31.984
63.889
78.751
1.00
23.98

ATOM
2057
CA
GLY
443
32.365
65.116
79.423
1.00
25.02

ATOM
2058
C
GLY
443
31.223
65.938
80.001
1.00
25.31

ATOM
2059
O
GLY
443
31.427
67.108
80.330
1.00
27.52

ATOM
2060
N
MET
444
30.040
65.347
80.141
1.00
22.78

ATOM
2062
CA
MET
444
28.904
66.081
80.676
1.00
19.38

ATOM
2063
CB
MET
444
27.804
66.213
79.642
1.00
17.92

ATOM
2064
CG
MET
444
28.205
66.965
78.383
1.00
15.75

ATOM
2065
SD
MET
444
27.016
66.876
77.050
1.00
20.93

ATOM
2066
CE
MET
444
25.610
67.571
77.794
1.00
15.12

ATOM
2067
C
MET
444
28.330
65.475
81.935
1.00
20.07

ATOM
2068
O
MET
444
28.210
64.248
82.042
1.00
22.27

ATOM
2069
N
THR
445
27.978
66.348
82.880
1.00
19.84

ATOM
2071
CA
THR
445
27.372
65.932
84.106
1.00
19.22

ATOM
2072
CB
THR
445
27.576
66.964
85.238
1.00
23.06

ATOM
2073
OG1
THR
445
26.830
68.164
84.934
1.00
23.49

ATOM
2075
CG2
THR
445
29.102
67.271
85.392
1.00
24.46

ATOM
2076
C
THR
445
25.881
65.741
83.788
1.00
18.15

ATOM
2077
O
THR
445
25.388
66.088
82.718
1.00
17.17

ATOM
2078
N
ASN
446
25.163
65.120
84.684
1.00
18.92

ATOM
2080
CA
ASN
446
23.757
64.962
84.384
1.00
22.14

ATOM
2081
CB
ASN
446
23.118
64.029
85.368
1.00
22.94

ATOM
2082
CG
ASN
446
23.520
62.605
85.162
1.00
23.33

ATOM
2083
OD1
ASN
446
23.620
62.087
84.063
1.00
27.45

ATOM
2084
ND2
ASN
446
23.650
61.925
86.254
1.00
20.08

ATOM
2087
C
ASN
446
22.998
66.279
84.316
1.00
21.36

ATOM
2088
O
ASN
446
22.103
66.415
83.504
1.00
22.94

ATOM
2089
N
PRO
447
23.291
67.216
85.237
1.00
21.41

ATOM
2090
CD
PRO
447
24.006
67.063
86.516
1.00
19.28

ATOM
2091
CA
PRO
447
22.599
68.504
85.173
1.00
19.53

ATOM
2092
CB
PRO
447
23.242
69.293
86.331
1.00
20.05

ATOM
2093
CG
PRO
447
23.430
68.199
87.372
1.00
20.54

ATOM
2094
C
PRO
447
22.884
69.115
83.783
1.00
18.40

ATOM
2095
O
PRO
447
21.982
69.684
83.162
1.00
18.87

ATOM
2096
N
GLU
448
24.079
68.932
83.241
1.00
17.60

ATOM
2098
CA
GLU
448
24.383
69.494
81.888
1.00
17.50

ATOM
2099
CB
GLU
448
25.875
69.386
81.562
1.00
17.69

ATOM
2100
CG
GLU
448
26.730
70.197
82.503
1.00
20.35

ATOM
2101
CD
GLU
448
28.202
70.065
82.200
1.00
22.71

ATOM
2102
OE1
GLU
448
28.742
68.945
82.274
1.00
21.71

ATOM
2103
OE2
GLU
448
28.838
71.083
81.865
1.00
29.91

ATOM
2104
C
GLU
448
23.601
68.769
80.802
1.00
18.43

ATOM
2105
O
GLU
448
23.234
69.358
79.781
1.00
17.96

ATOM
2106
N
VAL
449
23.444
67.446
80.976
1.00
19.16

ATOM
2108
CA
VAL
449
22.649
66.685
80.003
1.00
19.42

ATOM
2109
CB
VAL
449
22.680
65.134
80.205
1.00
18.44

ATOM
2110
CG1
VAL
449
21.890
64.507
79.102
1.00
18.24

ATOM
2111
CG2
VAL
449
24.106
64.594
80.094
1.00
16.28

ATOM
2112
C
VAL
449
21.188
67.190
80.005
1.00
16.19

ATOM
2113
O
VAL
449
20.644
67.474
78.956
1.00
18.65

ATOM
2114
N
ILE
450
20.608
67.337
81.179
0.60
14.24

ATOM
2116
CA
ILE
450
19.246
67.835
81.301
0.60
15.95

ATOM
2117
CB
ILE
450
18.850
67.860
82.769
0.60
14.74

ATOM
2118
CG2
ILE
450
17.535
68.649
82.967
0.60
11.72

ATOM
2119
CG1
ILE
450
18.714
66.416
83.280
0.60
13.82

ATOM
2120
CD1
ILE
450
18.473
66.323
84.762
0.60
16.21

ATOM
2121
C
ILE
450
19.102
69.240
80.680
0.60
17.69

ATOM
2122
O
ILE
450
18.164
69.498
79.944
0.60
16.19

ATOM
2123
N
GLN
451
20.052
70.123
80.972
1.00
22.22

ATOM
2125
CA
GLN
451
20.038
71.469
80.438
1.00
23.33

ATOM
2126
CB
GLN
451
21.165
72.291
81.113
1.00
29.28

ATOM
2127
CG
GLN
451
21.698
73.572
80.452
1.00
38.30

ATOM
2128
CD
GLN
451
23.250
73.598
80.516
1.00
44.81

ATOM
2129
OE1
GLN
451
23.870
73.579
81.599
1.00
47.60

ATOM
2130
NE2
GLN
451
23.871
73.533
79.341
1.00
47.62

ATOM
2133
C
GLN
451
20.112
71.447
78.914
1.00
22.37

ATOM
2134
O
GLN
451
19.300
72.094
78.265
1.00
21.86

ATOM
2135
N
ASN
452
20.998
70.644
78.346
1.00
21.50

ATOM
2137
CA
ASN
452
21.105
70.604
76.893
1.00
23.60

ATOM
2138
CB
ASN
452
22.291
69.730
76.475
1.00
30.33

ATOM
2139
CG
ASN
452
23.620
70.476
76.472
1.00
33.45

ATOM
2140
OD1
ASN
452
24.582
70.027
75.827
1.00
38.19

ATOM
2141
ND2
ASN
452
23.688
71.601
77.179
1.00
33.08

ATOM
2144
C
ASN
452
19.840
70.063
76.224
1.00
24.20

ATOM
2145
O
ASN
452
19.408
70.546
75.168
1.00
25.63

ATOM
2146
N
LEU
453
19.298
68.988
76.787
1.00
22.63

ATOM
2148
CA
LEU
453
18.111
68.402
76.191
1.00
20.88

ATOM
2149
CB
LEU
453
17.735
67.131
76.911
1.00
19.15

ATOM
2150
CG
LEU
453
18.640
66.041
76.303
1.00
20.09

ATOM
2151
CD1
LEU
453
18.704
65.061
77.381
1.00
19.24

ATOM
2152
CD2
LEU
453
18.171
65.442
74.999
1.00
19.91

ATOM
2153
C
LEU
453
16.953
69.359
76.154
1.00
20.98

ATOM
2154
O
LEU
453
16.247
69.482
75.150
1.00
20.40

ATOM
2155
N
GLU
454
16.849
70.134
77.215
1.00
20.29

ATOM
2157
CA
GLU
454
15.777
71.091
77.333
1.00
20.69

ATOM
2158
CB
GLU
454
15.636
71.460
78.808
1.00
22.44

ATOM
2159
CG
GLU
454
14.691
70.571
79.652
1.00
26.95

ATOM
2160
CD
GLU
454
14.860
70.937
81.103
1.00
32.80

ATOM
2161
OE1
GLU
454
15.655
71.869
81.371
1.00
35.24

ATOM
2162
OE2
GLU
454
14.234
70.303
81.985
1.00
36.29

ATOM
2163
C
GLU
454
15.940
72.301
76.361
1.00
19.99

ATOM
2164
O
GLU
454
14.950
72.951
76.027
1.00
19.52

ATOM
2165
N
ARG
455
17.141
72.486
75.781
1.00
17.70

ATOM
2167
CA
ARG
455
17.386
73.552
74.782
1.00
17.77

ATOM
2168
CB
ARG
455
18.844
74.021
74.771
1.00
18.95

ATOM
2169
CG
ARG
455
19.356
74.547
76.074
1.00
22.96

ATOM
2170
CD
ARG
455
20.763
75.090
75.932
1.00
23.08

ATOM
2171
NE
ARG
455
20.833
76.222
75.012
1.00
25.12

ATOM
2173
CZ
ARG
455
21.969
76.855
74.680
1.00
24.77

ATOM
2174
NH1
ARG
455
23.139
76.455
75.192
1.00
22.66

ATOM
2177
NH2
ARG
455
21.926
77.913
73.881
1.00
19.61

ATOM
2180
C
ARG
455
17.114
73.011
73.385
1.00
18.74

ATOM
2181
O
ARG
455
17.200
73.728
72.402
1.00
18.28

ATOM
2182
N
GLY
456
16.807
71.716
73.285
1.00
20.31

ATOM
2184
CA
GLY
456
16.597
71.101
71.977
1.00
18.59

ATOM
2185
C
GLY
456
17.849
70.367
71.487
1.00
18.02

ATOM
2186
O
GLY
456
17.828
69.804
70.405
1.00
17.58

ATOM
2187
N
TYR
457
18.945
70.432
72.210
1.00
18.14

ATOM
2189
CA
TYR
457
20.149
69.747
71.750
1.00
19.56

ATOM
2190
CB
TYR
457
21.385
70.191
72.541
1.00
17.10

ATOM
2191
CG
TYR
457
21.894
71.591
72.302
1.00
17.96

ATOM
2192
CD1
TYR
457
21.478
72.352
71.226
1.00
19.20

ATOM
2193
CE1
TYR
457
21.992
73.637
71.008
1.00
19.38

ATOM
2194
CD2
TYR
457
22.836
72.138
73.170
1.00
20.40

ATOM
2195
CE2
TYR
457
23.347
73.404
72.960
1.00
19.97

ATOM
2196
CZ
TYR
457
22.920
74.135
71.879
1.00
17.83

ATOM
2197
OH
TYR
457
23.472
75.385
71.675
1.00
17.07

ATOM
2199
C
TYR
457
20.021
68.246
72.034
1.00
20.03

ATOM
2200
O
TYR
457
19.221
67.828
72.870
1.00
18.91

ATOM
2201
N
ARG
458
20.819
67.445
71.340
1.00
20.26

ATOM
2203
CA
ARG
458
20.854
66.013
71.608
1.00
19.25

ATOM
2204
CB
ARG
458
20.175
65.210
70.495
1.00
17.50

ATOM
2205
CG
ARG
458
18.652
65.394
70.441
1.00
14.01

ATOM
2206
CD
ARG
458
17.986
65.025
71.777
1.00
13.72

ATOM
2207
NE
ARG
458
16.528
65.083
71.689
1.00
15.54

ATOM
2209
CZ
ARG
458
15.776
66.071
72.199
1.00
17.63

ATOM
2210
NH1
ARG
458
16.347
67.098
72.825
1.00
18.53

ATOM
2213
NH2
ARG
458
14.444
66.012
72.092
1.00
14.13

ATOM
2216
C
ARG
458
22.325
65.657
71.718
1.00
19.83

ATOM
2217
O
ARG
458
23.195
66.530
71.557
1.00
17.44

ATOM
2218
N
MET
459
22.628
64.380
71.961
1.00
17.91

ATOM
2220
CA
MET
459
24.043
64.001
72.101
1.00
15.97

ATOM
2221
CB
MET
459
24.199
62.503
72.377
1.00
15.95

ATOM
2222
CG
MET
459
25.568
62.127
72.906
1.00
15.08

ATOM
2223
SD
MET
459
25.816
60.318
73.149
1.00
19.19

ATOM
2224
CE
MET
459
24.291
59.886
73.995
1.00
17.66

ATOM
2225
C
MET
459
24.854
64.341
70.872
1.00
15.70

ATOM
2226
O
MET
459
24.419
64.145
69.726
1.00
14.70

ATOM
2227
N
VAL
460
26.046
64.885
71.098
1.00
15.83

ATOM
2229
CA
VAL
460
26.935
65.234
70.021
1.00
14.18

ATOM
2230
CB
VAL
460
28.245
65.833
70.624
1.00
17.78

ATOM
2231
CG1
VAL
460
29.355
65.930
69.544
1.00
19.44

ATOM
2232
CG2
VAL
460
27.956
67.209
71.227
1.00
15.84

ATOM
2233
C
VAL
460
27.295
63.950
69.235
1.00
15.35

ATOM
2234
O
VAL
460
27.398
62.886
69.833
1.00
17.60

ATOM
2235
N
ARG
461
27.463
64.046
67.924
1.00
14.74

ATOM
2237
CA
ARG
461
27.858
62.899
67.114
1.00
20.91

ATOM
2238
CB
ARG
461
28.214
63.364
65.695
1.00
17.94

ATOM
2239
CG
ARG
461
27.058
63.957
64.917
1.00
17.02

ATOM
2240
CD
ARG
461
27.500
64.354
63.533
1.00
14.96

ATOM
2241
NE
ARG
461
26.364
64.666
62.692
1.00
17.42

ATOM
2243
CZ
ARG
461
25.687
65.829
62.692
1.00
18.25

ATOM
2244
NH1
ARG
461
26.033
66.825
63.493
1.00
18.39

ATOM
2247
NH2
ARG
461
24.645
65.985
61.881
1.00
17.39

ATOM
2250
C
ARG
461
29.093
62.172
67.672
1.00
24.64

ATOM
2251
O
ARG
461
30.143
62.800
67.840
1.00
26.86

ATOM
2252
N
PRO
462
28.974
60.863
68.043
1.00
25.97

ATOM
2253
CD
PRO
462
27.723
60.100
68.164
1.00
26.62

ATOM
2254
CA
PRO
462
30.105
60.075
68.580
1.00
26.30

ATOM
2255
CB
PRO
462
29.478
58.706
68.855
1.00
25.21

ATOM
2256
CG
PRO
462
28.091
59.044
69.225
1.00
27.71

ATOM
2257
C
PRO
462
31.186
59.973
67.531
1.00
27.36

ATOM
2258
O
PRO
462
30.887
60.074
66.349
1.00
22.85

ATOM
2259
N
ASP
463
32.440
59.856
67.976
1.00
33.07

ATOM
2261
CA
ASP
463
33.542
59.724
67.037
1.00
36.40

ATOM
2262
CB
ASP
463
34.905
59.513
67.731
1.00
42.61

ATOM
2263
CG
ASP
463
35.486
60.802
68.343
1.00
46.87

ATOM
2264
OD1
ASP
463
35.313
61.884
67.723
1.00
52.92

ATOM
2265
OD2
ASP
463
36.113
60.733
69.440
1.00
48.62

ATOM
2266
C
ASP
463
33.249
58.565
66.102
1.00
36.01

ATOM
2267
O
ASP
463
32.726
57.512
66.506
1.00
38.21

ATOM
2268
N
ASN
464
33.364
58.858
64.826
1.00
34.27

ATOM
2270
CA
ASN
464
33.164
57.823
63.884
1.00
33.69

ATOM
2271
CB
ASN
464
34.310
56.892
64.024
1.00
37.65

ATOM
2272
CG
ASN
464
35.421
57.411
63.277
1.00
41.02

ATOM
2273
OD1
ASN
464
36.530
57.497
63.748
1.00
42.34

ATOM
2274
ND2
ASN
464
35.092
57.962
62.114
1.00
46.22

ATOM
2277
C
ASN
464
31.858
57.103
63.742
1.00
31.02

ATOM
2278
O
ASN
464
31.769
55.942
63.346
1.00
33.21

ATOM
2279
N
CYS
465
30.831
57.839
64.091
1.00
28.20

ATOM
2281
CA
CYS
465
29.512
57.312
63.948
1.00
23.77

ATOM
2282
CB
CYS
465
28.624
57.996
64.957
1.00
22.59

ATOM
2283
SG
CYS
465
26.940
57.347
64.922
1.00
20.23

ATOM
2284
C
CYS
465
29.009
57.609
62.534
1.00
20.29

ATOM
2285
O
CYS
465
29.113
58.722
62.076
1.00
20.20

ATOM
2286
N
PRO
466
28.580
56.571
61.785
1.00
19.54

ATOM
2287
CD
PRO
466
28.614
55.148
62.170
1.00
18.45

ATOM
2288
CA
PRO
466
28.044
56.745
60.424
1.00
17.34

ATOM
2289
CB
PRO
466
27.528
55.340
60.086
1.00
17.76

ATOM
2290
CG
PRO
466
28.454
54.452
60.853
1.00
18.34

ATOM
2291
C
PRO
466
26.833
57.713
60.603
1.00
17.27

ATOM
2292
O
PRO
466
26.087
57.593
61.573
1.00
15.23

ATOM
2293
N
GLU
467
26.693
58.678
59.702
1.00
18.48

ATOM
2295
CA
GLU
467
25.622
59.652
59.830
1.00
18.82

ATOM
2296
CB
GLU
467
25.850
60.793
58.830
1.00
17.73

ATOM
2297
CG
GLU
467
25.269
62.174
59.193
1.00
17.92

ATOM
2298
CD
GLU
467
25.281
62.575
60.623
1.00
16.81

ATOM
2299
OE1
GLU
467
26.239
62.494
61.391
1.00
20.48

ATOM
2300
OE2
GLU
467
24.245
63.097
60.907
1.00
19.26

ATOM
2301
C
GLU
467
24.233
59.009
59.717
1.00
16.25

ATOM
2302
O
GLU
467
23.296
59.473
60.377
1.00
18.45

ATOM
2303
N
GLU
468
24.109
57.933
58.948
0.51
12.70

ATOM
2305
CA
GLU
468
22.824
57.230
58.840
0.51
9.87

ATOM
2306
CB
GLU
468
22.881
56.084
57.826
0.51
9.75

ATOM
2307
CG
GLU
468
22.768
56.476
56.373
0.51
12.87

ATOM
2308
CD
GLU
468
23.600
55.604
55.454
0.51
16.73

ATOM
2309
OE1
GLU
468
24.697
55.613
55.289
0.51
21.01

ATOM
2310
OE2
GLU
468
23.104
54.806
54.715
0.51
19.71

ATOM
2311
C
GLU
468
22.427
56.693
60.208
0.51
7.61

ATOM
2312
O
GLU
468
21.285
56.793
60.593
0.51
5.14

ATOM
2313
N
LEU
469
23.383
56.173
60.961
1.00
11.98

ATOM
2315
CA
LEU
469
23.088
55.669
62.295
1.00
13.45

ATOM
2316
CB
LEU
469
24.255
54.815
62.821
1.00
16.09

ATOM
2317
CG
LEU
469
24.011
54.128
64.188
1.00
18.21

ATOM
2318
CD1
LEU
469
22.896
53.133
64.027
1.00
19.45

ATOM
2319
CD2
LEU
469
25.309
53.401
64.621
1.00
20.80

ATOM
2320
C
LEU
469
22.810
56.829
63.234
1.00
14.50

ATOM
2321
O
LEU
469
21.922
56.748
64.097
1.00
13.69

ATOM
2322
N
TYR
470
23.556
57.925
63.087
1.00
15.76

ATOM
2324
CA
TYR
470
23.330
59.070
63.961
1.00
15.69

ATOM
2325
CB
TYR
470
24.347
60.190
63.676
1.00
15.77

ATOM
2326
CG
TYR
470
24.177
61.346
64.628
1.00
13.26

ATOM
2327
CD1
TYR
470
24.383
61.192
65.989
1.00
11.67

ATOM
2328
CE1
TYR
470
24.238
62.237
66.860
1.00
14.86

ATOM
2329
CD2
TYR
470
23.799
62.610
64.152
1.00
14.80

ATOM
2330
CE2
TYR
470
23.648
63.674
65.007
1.00
11.49

ATOM
2331
CZ
TYR
470
23.876
63.487
66.360
1.00
14.26

ATOM
2332
OH
TYR
470
23.829
64.533
67.259
1.00
13.59

ATOM
2334
C
TYR
470
21.897
59.622
63.790
1.00
15.89

ATOM
2335
O
TYR
470
21.222
59.948
64.748
1.00
16.07

ATOM
2336
N
GLN
471
21.458
59.722
62.563
1.00
17.58

ATOM
2338
CA
GLN
471
20.122
60.197
62.267
1.00
19.32

ATOM
2339
CB
GLN
471
20.095
60.406
60.776
1.00
20.31

ATOM
2340
CG
GLN
471
20.193
61.875
60.292
1.00
27.33

ATOM
2341
CD
GLN
471
20.883
62.897
61.206
1.00
28.92

ATOM
2342
OE1
GLN
471
22.072
62.990
61.296
1.00
36.59

ATOM
2343
NE2
GLN
471
20.103
63.750
61.758
1.00
28.48

ATOM
2346
C
GLN
471
19.025
59.212
62.785
1.00
21.02

ATOM
2347
O
GLN
471
17.942
59.640
63.223
1.00
22.52

ATOM
2348
N
LEU
472
19.337
57.916
62.835
1.00
19.39

ATOM
2350
CA
LEU
472
18.398
56.945
63.388
1.00
19.13

ATOM
2351
CB
LEU
472
18.851
55.510
63.099
1.00
22.09

ATOM
2352
CG
LEU
472
17.826
54.393
63.372
1.00
21.25

ATOM
2353
CD1
LEU
472
16.645
54.578
62.419
1.00
21.50

ATOM
2354
CD2
LEU
472
18.486
53.021
63.134
1.00
16.29

ATOM
2355
C
LEU
472
18.313
57.183
64.917
1.00
18.02

ATOM
2356
O
LEU
472
17.232
57.104
65.524
1.00
19.05

ATOM
2357
N
MET
473
19.448
57.491
65.539
1.00
18.25

ATOM
2359
CA
MET
473
19.449
57.813
66.976
1.00
17.95

ATOM
2360
CB
MET
473
20.836
58.137
67.466
1.00
18.39

ATOM
2361
CG
MET
473
21.885
57.043
67.296
1.00
19.12

ATOM
2362
SD
MET
473
23.579
57.734
67.549
1.00
17.70

ATOM
2363
CE
MET
473
24.541
56.279
67.611
1.00
21.24

ATOM
2364
C
MET
473
18.567
59.055
67.233
1.00
17.42

ATOM
2365
O
MET
473
17.826
59.099
68.220
1.00
17.21

ATOM
2366
N
ARG
474
18.648
60.043
66.342
1.00
17.08

ATOM
2368
CA
ARG
474
17.892
61.290
66.513
1.00
16.18

ATOM
2369
CB
ARG
474
18.240
62.345
65.407
1.00
16.13

ATOM
2370
CG
ARG
474
19.678
62.878
65.264
1.00
15.54

ATOM
2371
CD
ARG
474
20.206
63.766
66.340
1.00
17.62

ATOM
2372
NE
ARG
474
19.690
65.108
66.507
1.00
25.22

ATOM
2374
CZ
ARG
474
20.451
66.074
66.989
1.00
24.91

ATOM
2375
NH1
ARG
474
21.737
65.854
67.244
1.00
21.73

ATOM
2378
NH2
ARG
474
19.827
67.067
67.594
1.00
28.65

ATOM
2381
C
ARG
474
16.374
60.982
66.462
1.00
15.94

ATOM
2382
O
ARG
474
15.613
61.602
67.148
1.00
18.86

ATOM
2383
N
LEU
475
15.933
60.061
65.611
1.00
16.10

ATOM
2385
CA
LEU
475
14.507
59.688
65.596
1.00
17.16

ATOM
2386
CB
LEU
475
14.201
58.641
64.522
1.00
16.67

ATOM
2387
CG
LEU
475
14.260
58.919
63.031
1.00
18.23

ATOM
2388
CD1
LEU
475
13.551
57.692
62.447
1.00
20.24

ATOM
2389
CD2
LEU
475
13.537
60.190
62.620
1.00
19.21

ATOM
2390
C
LEU
475
14.103
59.119
66.949
1.00
16.79

ATOM
2391
O
LEU
475
13.025
59.451
67.477
1.00
17.89

ATOM
2392
N
CYS
476
15.007
58.382
67.581
1.00
16.31

ATOM
2394
CA
CYS
476
14.718
57.793
68.896
1.00
16.85

ATOM
2395
CB
CYS
476
15.831
56.780
69.277
1.00
15.55

ATOM
2396
SG
CYS
476
15.969
55.406
68.118
1.00
14.96

ATOM
2397
C
CYS
476
14.650
58.840
69.980
1.00
17.41

ATOM
2398
O
CYS
476
14.159
58.563
71.058
1.00
20.02

ATOM
2399
N
TRP
477
15.236
60.016
69.704
1.00
20.22

ATOM
2401
CA
TRP
477
15.284
61.111
70.682
1.00
19.77

ATOM
2402
CB
TRP
477
16.689
61.668
70.808
1.00
19.85

ATOM
2403
CG
TRP
477
17.712
60.646
71.178
1.00
19.63

ATOM
2404
CD2
TRP
477
19.084
60.628
70.782
1.00
18.71

ATOM
2405
CE2
TRP
477
19.682
59.507
71.392
1.00
20.22

ATOM
2406
CE3
TRP
477
19.869
61.469
69.963
1.00
18.45

ATOM
2407
CD1
TRP
477
17.537
59.565
71.995
1.00
20.69

ATOM
2408
NE1
TRP
477
18.721
58.877
72.136
1.00
17.19

ATOM
2410
CZ2
TRP
477
21.060
59.190
71.216
1.00
16.34

ATOM
2411
CZ3
TRP
477
21.222
61.159
69.786
1.00
15.37

ATOM
2412
CH2
TRP
477
21.796
60.035
70.416
1.00
15.60

ATOM
2413
C
TRP
477
14.305
62.251
70.376
1.00
19.98

ATOM
2414
O
TRP
477
14.498
63.369
70.825
1.00
17.04

ATOM
2415
N
LYS
478
13.280
61.974
69.572
1.00
18.53

ATOM
2417
CA
LYS
478
12.302
63.005
69.296
1.00
17.79

ATOM
2418
CB
LYS
478
11.276
62.549
68.282
1.00
18.06

ATOM
2419
CG
LYS
478
11.831
62.577
66.881
1.00
17.26

ATOM
2420
CD
LYS
478
10.816
62.102
65.915
1.00
19.20

ATOM
2421
CE
LYS
478
11.309
62.303
64.503
1.00
22.29

ATOM
2422
NZ
LYS
478
11.573
63.737
64.240
1.00
27.75

ATOM
2426
C
LYS
478
11.615
63.452
70.576
1.00
18.94

ATOM
2427
O
LYS
478
11.429
62.677
71.516
1.00
19.46

ATOM
2428
N
GLU
479
11.319
64.743
70.658
1.00
19.78

ATOM
2430
CA
GLU
479
10.695
65.284
71.852
1.00
22.45

ATOM
2431
CB
GLU
479
10.434
66.767
71.627
1.00
27.45

ATOM
2432
CG
GLU
479
9.843
67.518
72.816
1.00
33.27

ATOM
2433
CD
GLU
479
10.791
67.878
73.971
1.00
38.31

ATOM
2434
OE1
GLU
479
12.044
67.900
73.903
1.00
44.43

ATOM
2435
OE2
GLU
479
10.187
68.204
75.002
1.00
39.74

ATOM
2436
C
GLU
479
9.394
64.549
72.287
1.00
22.57

ATOM
2437
O
GLU
479
9.264
64.065
73.415
1.00
21.17

ATOM
2438
N
ARG
480
8.427
64.469
71.387
1.00
21.63

ATOM
2440
CA
ARG
480
7.194
63.785
71.746
1.00
25.32

ATOM
2441
CB
ARG
480
6.053
64.222
70.837
1.00
27.02

ATOM
2442
CG
ARG
480
5.329
65.427
71.242
1.00
34.66

ATOM
2443
CD
ARG
480
4.500
65.812
70.100
1.00
35.70

ATOM
2444
NE
ARG
480
4.865
65.561
68.688
1.00
41.57

ATOM
2446
CZ
ARG
480
3.848
65.369
67.862
1.00
43.95

ATOM
2447
NH1
ARG
480
2.706
65.400
68.498
1.00
46.80

ATOM
2450
NH2
ARG
480
3.857
65.388
66.521
1.00
43.75

ATOM
2453
C
ARG
480
7.361
62.274
71.585
1.00
22.03

ATOM
2454
O
ARG
480
7.707
61.799
70.526
1.00
21.78

ATOM
2455
N
PRO
481
7.088
61.510
72.641
1.00
20.56

ATOM
2456
CD
PRO
481
6.601
61.978
73.953
1.00
19.52

ATOM
2457
CA
PRO
481
7.203
60.043
72.606
1.00
20.01

ATOM
2458
CB
PRO
481
6.566
59.619
73.916
1.00
19.09

ATOM
2459
CG
PRO
481
6.859
60.763
74.832
1.00
18.91

ATOM
2460
C
PRO
481
6.489
59.426
71.414
1.00
22.36

ATOM
2461
O
PRO
481
7.057
58.599
70.701
1.00
24.56

ATOM
2462
N
GLU
482
5.289
59.920
71.100
1.00
23.76

ATOM
2464
CA
GLU
482
4.527
59.365
69.977
1.00
22.80

ATOM
2465
CB
GLU
482
3.101
59.928
69.970
1.00
26.56

ATOM
2466
CG
GLU
482
3.088
61.434
69.770
1.00
34.44

ATOM
2467
CD
GLU
482
2.854
62.240
71.068
1.00
37.15

ATOM
2468
OE1
GLU
482
3.373
61.884
72.176
1.00
32.95

ATOM
2469
OE2
GLU
482
2.104
63.231
70.949
1.00
44.38

ATOM
2470
C
GLU
482
5.182
59.557
68.626
1.00
20.97

ATOM
2471
O
GLU
482
4.835
58.870
67.667
1.00
20.58

ATOM
2472
N
ASP
483
6.108
60.502
68.520
1.00
20.69

ATOM
2474
CA
ASP
483
6.810
60.707
67.247
1.00
17.73

ATOM
2475
CB
ASP
483
7.313
62.132
67.113
1.00
21.92

ATOM
2476
CG
ASP
483
6.201
63.123
66.952
1.00
23.99

ATOM
2477
OD1
ASP
483
5.090
62.749
66.535
1.00
26.48

ATOM
2478
OD2
ASP
483
6.476
64.279
67.256
1.00
26.05

ATOM
2479
C
ASP
483
7.994
59.779
67.074
1.00
16.37

ATOM
2480
O
ASP
483
8.529
59.663
65.984
1.00
13.59

ATOM
2481
N
ARG
484
8.409
59.133
68.151
1.00
16.89

ATOM
2483
CA
ARG
484
9.556
58.206
68.083
1.00
17.09

ATOM
2484
CB
ARG
484
10.054
57.871
69.488
1.00
13.85

ATOM
2485
CG
ARG
484
10.487
59.103
70.255
1.00
11.02

ATOM
2486
CD
ARG
484
10.824
58.769
71.676
1.00
12.58

ATOM
2487
NE
ARG
484
10.898
59.984
72.449
1.00
14.20

ATOM
2489
CZ
ARG
484
10.673
60.073
73.746
1.00
21.54

ATOM
2490
NH1
ARG
484
10.373
58.989
74.443
1.00
20.98

ATOM
2493
NH2
ARG
484
10.632
61.286
74.357
1.00
23.02

ATOM
2496
C
ARG
484
9.079
56.942
67.337
1.00
19.02

ATOM
2497
O
ARG
484
7.918
56.565
67.419
1.00
20.65

ATOM
2498
N
PRO
485
9.981
56.307
66.584
1.00
17.88

ATOM
2499
CD
PRO
485
11.424
56.601
66.551
1.00
17.09

ATOM
2500
CA
PRO
485
9.680
55.098
65.809
1.00
16.95

ATOM
2501
CB
PRO
485
10.935
54.941
64.982
1.00
15.97

ATOM
2502
CG
PRO
485
12.002
55.366
65.916
1.00
14.91

ATOM
2503
C
PRO
485
9.387
53.845
66.653
1.00
15.71

ATOM
2504
O
PRO
485
9.619
53.806
67.838
1.00
14.43

ATOM
2505
N
THR
486
8.768
52.861
66.025
1.00
16.25

ATOM
2507
CA
THR
486
8.504
51.581
66.722
1.00
17.14

ATOM
2508
CB
THR
486
7.417
50.779
66.033
1.00
16.41

ATOM
2509
OG1
THR
486
7.829
50.507
64.693
1.00
16.20

ATOM
2511
CG2
THR
486
6.058
51.558
66.000
1.00
15.66

ATOM
2512
C
THR
486
9.779
50.747
66.664
1.00
16.65

ATOM
2513
O
THR
486
10.647
50.987
65.824
1.00
17.35

ATOM
2514
N
PHE
487
9.891
49.752
67.531
1.00
16.93

ATOM
2516
CA
PHE
487
11.080
48.887
67.487
1.00
15.50

ATOM
2517
CB
PHE
487
11.174
48.036
68.741
1.00
12.76

ATOM
2518
CG
PHE
487
11.758
48.741
69.884
1.00
12.18

ATOM
2519
CD1
PHE
487
13.138
49.069
69.879
1.00
11.67

ATOM
2520
CD2
PHE
487
10.987
49.065
70.985
1.00
12.34

ATOM
2521
CE1
PHE
487
13.709
49.708
70.975
1.00
12.23

ATOM
2522
CE2
PHE
487
11.552
49.727
72.097
1.00
13.42

ATOM
2523
CZ
PHE
487
12.937
50.044
72.075
1.00
12.97

ATOM
2524
C
PHE
487
11.076
48.043
66.241
1.00
17.36

ATOM
2525
O
PHE
487
12.130
47.704
65.711
1.00
18.27

ATOM
2526
N
ASP
488
9.905
47.728
65.719
1.00
19.57

ATOM
2528
CA
ASP
488
9.892
46.945
64.483
1.00
20.13

ATOM
2529
CB
ASP
488
8.470
46.499
64.106
1.00
24.27

ATOM
2530
CG
ASP
488
8.496
45.499
62.992
1.00
29.59

ATOM
2531
OD1
ASP
488
9.131
44.444
63.191
1.00
36.24

ATOM
2532
OD2
ASP
488
7.964
45.752
61.907
1.00
33.69

ATOM
2533
C
ASP
488
10.488
47.784
63.346
1.00
18.94

ATOM
2534
O
ASP
488
11.215
47.273
62.444
1.00
16.23

ATOM
2535
N
TYR
489
10.150
49.082
63.347
1.00
17.75

ATOM
2537
CA
TYR
489
10.712
49.989
62.324
1.00
17.95

ATOM
2538
CB
TYR
489
10.131
51.399
62.490
1.00
17.00

ATOM
2539
CG
TYR
489
10.784
52.406
61.612
1.00
15.28

ATOM
2540
CD1
TYR
489
10.356
52.584
60.313
1.00
14.83

ATOM
2541
CE1
TYR
489
10.989
53.458
59.479
1.00
15.97

ATOM
2542
CD2
TYR
489
11.877
53.158
62.063
1.00
15.71

ATOM
2543
CE2
TYR
489
12.511
54.063
61.209
1.00
14.92

ATOM
2544
CZ
TYR
489
12.065
54.201
59.929
1.00
15.91

ATOM
2545
OH
TYR
489
12.646
55.117
59.055
1.00
17.58

ATOM
2547
C
TYR
489
12.258
50.052
62.496
1.00
16.42

ATOM
2548
O
TYR
489
13.005
50.000
61.532
1.00
15.86

ATOM
2549
N
LEU
490
12.702
50.223
63.726
1.00
16.20

ATOM
2551
CA
LEU
490
14.130
50.318
63.992
1.00
17.33

ATOM
2552
CB
LEU
490
14.357
50.563
65.480
1.00
15.71

ATOM
2553
CG
LEU
490
13.988
51.980
65.957
1.00
18.53

ATOM
2554
CD1
LEU
490
13.929
52.008
67.486
1.00
13.48

ATOM
2555
CD2
LEU
490
15.081
52.997
65.466
1.00
13.64

ATOM
2556
C
LEU
490
14.848
49.036
63.546
1.00
17.72

ATOM
2557
O
LEU
490
15.904
49.116
62.933
1.00
17.65

ATOM
2558
N
ARG
491
14.249
47.881
63.824
1.00
18.78

ATOM
2560
CA
ARG
491
14.840
46.616
63.419
1.00
17.34

ATOM
2561
CB
ARG
491
13.982
45.428
63.875
1.00
17.59

ATOM
2562
CG
ARG
491
14.540
44.136
63.232
1.00
24.17

ATOM
2563
CD
ARG
491
13.523
43.026
63.167
1.00
22.99

ATOM
2564
NE
ARG
491
12.284
43.481
62.543
1.00
25.56

ATOM
2566
CZ
ARG
491
12.064
43.567
61.239
1.00
22.13

ATOM
2567
NH1
ARG
491
12.999
43.225
60.371
1.00
20.13

ATOM
2570
NH2
ARG
491
10.894
44.032
60.802
1.00
22.56

ATOM
2573
C
ARG
491
14.987
46.543
61.911
1.00
15.82

ATOM
2574
O
ARG
491
16.047
46.194
61.391
1.00
17.69

ATOM
2575
N
SER
492
13.929
46.895
61.201
0.71
14.44

ATOM
2577
CA
SER
492
13.948
46.832
59.751
0.71
12.85

ATOM
2578
CB
SER
492
12.560
47.197
59.208
0.71
10.21

ATOM
2579
OG
SER
492
12.535
47.140
57.800
0.71
13.48

ATOM
2581
C
SER
492
15.009
47.747
59.152
0.71
12.75

ATOM
2582
O
SER
492
15.688
47.387
58.208
0.71
12.67

ATOM
2583
N
VAL
493
15.128
48.946
59.687
1.00
15.45

ATOM
2585
CA
VAL
493
16.101
49.895
59.178
1.00
15.94

ATOM
2586
CB
VAL
493
15.912
51.314
59.829
1.00
18.03

ATOM
2587
CG1
VAL
493
17.062
52.223
59.447
1.00
15.50

ATOM
2588
CG2
VAL
493
14.587
51.931
59.354
1.00
14.02

ATOM
2589
C
VAL
493
17.520
49.389
59.452
1.00
12.14

ATOM
2590
O
VAL
493
18.341
49.419
58.586
1.00
11.76

ATOM
2591
N
LEU
494
17.766
48.933
60.667
1.00
13.03

ATOM
2593
CA
LEU
494
19.086
48.432
61.028
1.00
14.71

ATOM
2594
CB
LEU
494
19.157
48.159
62.520
1.00
10.71

ATOM
2595
CG
LEU
494
19.173
49.410
63.390
1.00
8.89

ATOM
2596
CD1
LEU
494
18.912
49.063
64.858
1.00
2.00

ATOM
2597
CD2
LEU
494
20.551
50.101
63.290
1.00
12.44

ATOM
2598
C
LEU
494
19.502
47.218
60.180
1.00
17.11

ATOM
2599
O
LEU
494
20.666
47.111
59.803
1.00
16.73

ATOM
2600
N
GLU
495
18.559
46.339
59.844
1.00
20.35

ATOM
2602
CA
GLU
495
18.876
45.198
58.999
1.00
21.31

ATOM
2603
CB
GLU
495
17.669
44.245
58.899
1.00
23.20

ATOM
2604
CG
GLU
495
17.373
43.530
60.206
1.00
25.30

ATOM
2605
CD
GLU
495
16.180
42.595
60.127
1.00
27.48

ATOM
2606
OE1
GLU
495
15.434
42.595
59.123
1.00
29.73

ATOM
2607
OE2
GLU
495
15.960
41.852
61.083
1.00
31.46

ATOM
2608
C
GLU
495
19.270
45.711
57.611
1.00
22.77

ATOM
2609
O
GLU
495
20.174
45.168
56.954
1.00
22.87

ATOM
2610
N
ASP
496
18.574
46.740
57.126
1.00
22.86

ATOM
2612
CA
ASP
496
18.915
47.313
55.831
1.00
22.17

ATOM
2613
CB
ASP
496
17.885
48.377
55.400
1.00
23.72

ATOM
2614
CG
ASP
496
16.620
47.773
54.828
1.00
24.62

ATOM
2615
OD1
ASP
496
16.584
46.547
54.539
1.00
27.54

ATOM
2616
OD2
ASP
496
15.644
48.526
54.664
1.00
23.63

ATOM
2617
C
ASP
496
20.303
47.935
55.898
1.00
20.74

ATOM
2618
O
ASP
496
21.034
47.881
54.941
1.00
20.45

ATOM
2619
N
PHE
497
20.653
48.551
57.031
1.00
22.83

ATOM
2621
CA
PHE
497
21.990
49.160
57.185
1.00
23.54

ATOM
2622
CB
PHE
497
22.107
49.907
58.534
1.00
22.41

ATOM
2623
CG
PHE
497
21.396
51.257
58.593
1.00
19.41

ATOM
2624
CD1
PHE
497
20.699
51.789
57.504
1.00
16.87

ATOM
2625
CD2
PHE
497
21.446
51.973
59.761
1.00
17.79

ATOM
2626
CE1
PHE
497
20.042
53.066
57.611
1.00
15.59

ATOM
2627
CE2
PHE
497
20.808
53.213
59.883
1.00
16.89

ATOM
2628
CZ
PHE
497
20.107
53.751
58.799
1.00
15.28

ATOM
2629
C
PHE
497
23.144
48.119
57.079
1.00
26.43

ATOM
2630
O
PHE
497
24.132
48.361
56.405
1.00
24.05

ATOM
2631
N
PHE
498
22.995
46.993
57.786
1.00
31.81

ATOM
2633
CA
PHE
498
23.937
45.847
57.839
1.00
34.53

ATOM
2634
CB
PHE
498
23.410
44.895
58.970
1.00
38.33

ATOM
2635
CG
PHE
498
23.812
43.440
58.870
1.00
42.97

ATOM
2636
CD1
PHE
498
25.128
43.061
58.962
1.00
44.23

ATOM
2637
CD2
PHE
498
22.841
42.441
58.808
1.00
45.57

ATOM
2638
CE1
PHE
498
25.494
41.718
59.002
1.00
45.32

ATOM
2639
CE2
PHE
498
23.194
41.084
58.846
1.00
45.40

ATOM
2640
CZ
PHE
498
24.536
40.728
58.947
1.00
45.26

ATOM
2641
C
PHE
498
23.986
45.174
56.452
1.00
34.71

ATOM
2642
O
PHE
498
25.078
44.797
55.999
1.00
34.04

ATOM
2643
N
THR
499
22.861
45.066
55.747
1.00
36.17

ATOM
2645
CA
THR
499
22.929
44.395
54.446
1.00
39.53

ATOM
2646
CB
THR
499
21.599
43.788
53.879
1.00
38.32

ATOM
2647
OG1
THR
499
20.731
44.827
53.457
1.00
40.33

ATOM
2649
CG2
THR
499
20.883
42.893
54.883
1.00
38.45

ATOM
2650
C
THR
499
23.610
45.230
53.394
1.00
42.57

ATOM
2651
O
THR
499
24.254
44.701
52.499
1.00
45.02

ATOM
2652
N
ALA
500
23.561
46.542
53.566
1.00
46.24

ATOM
2654
CA
ALA
500
24.251
47.406
52.624
1.00
48.43

ATOM
2655
CB
ALA
500
23.704
48.821
52.716
1.00
48.43

ATOM
2656
C
ALA
500
25.755
47.359
52.979
1.00
48.93

ATOM
2657
O
ALA
500
26.588
47.243
52.081
1.00
51.02

ATOM
2658
N
THR
501
26.087
47.447
54.280
1.00
49.00

ATOM
2660
CA
THR
501
27.489
47.375
54.745
1.00
50.41

ATOM
2661
CB
THR
501
27.729
47.812
56.242
1.00
50.29

ATOM
2662
OG1
THR
501
27.170
46.843
57.145
1.00
51.73

ATOM
2664
CG2
THR
501
27.211
49.187
56.529
1.00
48.41

ATOM
2665
C
THR
501
28.051
45.942
54.648
1.00
51.23

ATOM
2666
O
THR
501
27.291
45.008
54.304
1.00
50.34

ATOM
2667
OT
THR
501
29.271
45.796
54.838
1.00
53.71

ATOM
2668
S
SO4
901
20.240
32.671
68.950
1.00
20.54

ATOM
2669
O1
SO4
901
20.164
32.039
70.208
1.00
18.75

ATOM
2670
O2
SO4
901
18.884
33.001
68.524
1.00
21.22

ATOM
2671
O3
SO4
901
21.012
33.903
69.104
1.00
22.65

ATOM
2672
O4
SO4
901
20.810
31.783
68.019
1.00
20.07

ATOM
2673
PA
ANP
1
25.168
41.602
88.040
1.00
59.70

ATOM
2674
O1A
ANP
1
25.690
41.585
89.452
1.00
62.05

ATOM
2675
O2A
ANP
1
23.870
40.964
87.774
1.00
60.10

ATOM
2676
O5′
ANP
1
26.271
40.936
87.075
1.00
55.58

ATOM
2677
O3A
ANP
1
25.238
43.072
87.395
1.00
58.85

ATOM
2678
C5′
ANP
1
27.126
39.813
87.313
1.00
47.85

ATOM
2679
C4′
ANP
1
27.811
39.435
85.961
1.00
42.19

ATOM
2680
O4′
ANP
1
27.328
38.181
85.485
1.00
39.82

ATOM
2681
C1′
ANP
1
27.393
38.245
84.067
1.00
34.30

ATOM
2682
N9
ANP
1
26.168
37.720
83.671
1.00
29.49

ATOM
2683
C4
ANP
1
25.987
36.620
82.839
1.00
27.56

ATOM
2684
N3
ANP
1
26.971
35.962
82.079
1.00
25.59

ATOM
2685
C2
ANP
1
26.430
34.902
81.461
1.00
25.56

ATOM
2686
N1
ANP
1
25.142
34.566
81.317
1.00
22.28

ATOM
2687
C6
ANP
1
24.205
35.236
82.032
1.00
24.41

ATOM
2688
N6
ANP
1
22.887
34.873
81.858
1.00
23.00

ATOM
2689
C5
ANP
1
24.642
36.296
82.892
1.00
27.32

ATOM
2690
N7
ANP
1
23.958
37.069
83.756
1.00
27.18

ATOM
2691
C8
ANP
1
24.888
37.892
84.271
1.00
29.52

ATOM
2692
C2′
ANP
1
27.365
39.606
83.480
1.00
37.32

ATOM
2693
O2′
ANP
1
27.402
39.564
81.930
1.00
37.60

ATOM
2694
C3′
ANP
1
28.466
39.860
84.536
1.00
41.10

ATOM
2695
O3′
ANP
1
29.648
40.806
84.396
1.00
40.76

ATOM
2696
OH2
TIP
1
21.636
29.682
74.788
1.00
24.70

ATOM
2699
OH2
TIP
2
19.421
27.894
78.845
1.00
15.80

ATOM
2702
OH2
TIP
3
14.819
51.729
79.254
1.00
11.50

ATOM
2705
OH2
TIP
4
19.432
60.733
77.592
1.00
22.33

ATOM
2708
OH2
TIP
5
20.635
62.747
73.259
1.00
21.30

ATOM
2711
OH2
TIP
6
16.552
32.841
74.619
1.00
25.56

ATOM
2714
OH2
TIP
7
24.548
68.842
70.700
1.00
20.10

ATOM
2717
OH2
TIP
8
3.895
16.823
94.898
1.00
13.20

ATOM
2720
OH2
TIP
9
18.109
61.908
79.708
1.00
27.65

ATOM
2723
OH2
TIP
10
16.726
62.080
62.427
1.00
20.90

ATOM
2726
OH2
TIP
11
25.219
50.449
80.027
1.00
19.51

ATOM
2729
OH2
TIP
12
26.686
31.635
75.090
1.00
13.82

ATOM
2732
OH2
TIP
13
25.361
21.684
76.987
1.00
26.96

ATOM
2735
OH2
TIP
14
3.847
51.668
76.148
1.00
22.21

ATOM
2738
OH2
TIP
15
33.052
40.009
77.678
1.00
32.58

ATOM
2741
OH2
TIP
16
23.215
20.551
78.038
1.00
29.80

ATOM
2744
OH2
TIP
17
7.654
54.028
63.788
1.00
34.59

ATOM
2747
OH2
TIP
18
28.141
56.263
74.474
1.00
22.00

ATOM
2750
OH2
TIP
19
22.179
18.839
82.211
1.00
26.18

ATOM
2753
OH2
TIP
20
13.275
34.109
76.607
1.00
22.45

ATOM
2756
OH2
TIP
21
7.198
57.427
104.428
1.00
22.43

ATOM
2759
OH2
TIP
22
35.735
44.087
79.480
1.00
33.94

ATOM
2762
OH2
TIP
23
8.540
65.595
69.023
1.00
24.56

ATOM
2765
OH2
TIP
24
22.270
28.066
79.324
1.00
22.91

ATOM
2768
OH2
TIP
25
14.107
69.026
73.845
1.00
31.41

ATOM
2771
OH2
TIP
26
13.696
55.586
79.458
1.00
22.90

ATOM
2774
OH2
TIP
27
4.349
54.682
67.141
1.00
45.29

ATOM
2777
OH2
TIP
28
6.680
45.227
67.941
1.00
43.31

ATOM
2780
OH2
TIP
29
24.714
78.648
73.916
1.00
17.34

ATOM
2783
OH2
TIP
30
30.134
59.806
72.383
1.00
29.23

ATOM
2786
OH2
TIP
31
26.035
23.821
78.463
1.00
21.36

ATOM
2789
OH2
TIP
32
3.066
56.997
68.078
1.00
28.45

ATOM
2792
OH2
TIP
33
6.610
51.972
70.152
1.00
23.35

ATOM
2795
OH2
TIP
34
26.470
70.439
71.773
1.00
36.32

ATOM
2798
OH2
TIP
35
30.259
41.069
81.623
1.00
23.00

ATOM
2801
OH2
TIP
36
13.095
71.374
72.576
1.00
42.40

ATOM
2804
OH2
TIP
37
29.729
18.036
80.754
1.00
33.66

ATOM
2807
OH2
TIP
38
36.082
38.615
74.443
1.00
37.20

ATOM
2810
OH2
TIP
39
29.667
65.962
75.095
1.00
56.18

ATOM
2813
OH2
TIP
40
16.535
52.578
84.855
1.00
32.05

ATOM
2816
OH2
TIP
41
4.169
43.760
85.732
1.00
30.89

ATOM
2819
OH2
TIP
42
29.884
58.322
74.618
1.00
17.65

ATOM
2822
OH2
TIP
43
15.951
20.096
79.975
1.00
25.65

ATOM
2825
OH2
TIP
44
4.646
47.648
75.172
1.00
35.85

ATOM
2828
OH2
TIP
45
15.058
76.771
76.303
1.00
30.45

ATOM
2831
OH2
TIP
46
6.244
59.942
101.309
1.00
35.15

ATOM
2834
OH2
TIP
47
14.040
45.715
83.639
1.00
18.86

ATOM
2837
OH2
TIP
48
14.202
25.165
81.284
1.00
34.29

ATOM
2840
OH2
TIP
49
10.663
40.652
67.185
1.00
26.39

ATOM
2843
OH2
TIP
50
33.301
41.942
62.513
1.00
35.25

ATOM
2846
OH2
TIP
51
6.527
57.868
77.114
1.00
53.32

ATOM
2849
OH2
TIP
52
17.044
28.731
80.298
1.00
36.84

ATOM
2852
OH2
TIP
53
6.062
57.571
65.730
1.00
30.27

ATOM
2855
OH2
TIP
54
17.822
52.756
80.733
1.00
34.91

ATOM
2858
OH2
TIP
55
11.552
33.271
69.618
1.00
32.40

ATOM
2861
OH2
TIP
56
12.856
35.833
79.201
1.00
22.14

ATOM
2864
OH2
TIP
57
40.066
43.507
77.613
1.00
50.14

ATOM
2867
OH2
TIP
58
2.995
17.966
92.504
1.00
37.28

ATOM
2870
OH2
TIP
59
13.311
23.566
95.035
1.00
47.12

ATOM
2873
OH2
TIP
60
11.795
37.974
66.135
1.00
36.11

ATOM
2876
OH2
TIP
61
24.504
67.408
74.469
1.00
35.25

ATOM
2879
OH2
TIP
62
43.357
40.085
77.338
1.00
51.90

ATOM
2882
OH2
TIP
63
1.393
21.671
100.291
1.00
33.39

ATOM
2885
OH2
TIP
64
11.280
66.450
68.597
1.00
31.52

ATOM
2888
OH2
TIP
65
4.661
48.407
66.893
1.00
31.00

ATOM
2891
OH2
TIP
66
23.517
29.080
77.018
1.00
31.18

ATOM
2894
OH2
TIP
67
13.747
73.842
73.889
1.00
26.91

ATOM
2897
OH2
TIP
68
15.378
54.181
81.664
1.00
19.28

ATOM
2900
OH2
TIP
69
35.556
54.625
72.574
1.00
56.78

ATOM
2903
OH2
TIP
70
25.738
53.333
58.018
1.00
44.39

ATOM
2906
OH2
TIP
71
14.505
45.522
57.007
1.00
52.07

ATOM
2909
OH2
TIP
72
9.631
42.340
87.085
1.00
47.28

ATOM
2912
OH2
TIP
73
24.646
26.338
78.448
1.00
50.23

ATOM
2915
OH2
TIP
74
17.613
34.219
99.904
1.00
41.24

ATOM
2918
OH2
TIP
75
31.787
33.945
97.250
1.00
76.43

ATOM
2921
OH2
TIP
76
29.710
33.429
98.446
1.00
67.00

ATOM
2924
OH2
TIP
77
26.300
72.730
70.717
1.00
25.94

ATOM
2927
OH2
TIP
78
11.976
33.414
80.103
1.00
24.71

ATOM
2930
OH2
TIP
79
29.259
62.469
72.136
1.00
30.42

ATOM
2933
OH2
TIP
80
26.839
65.527
74.362
1.00
40.02

ATOM
2936
OH2
TIP
81
27.257
19.893
78.082
1.00
32.57

ATOM
2939
OH2
TIP
82
29.912
36.264
82.030
1.00
41.11

ATOM
2942
OH2
TIP
84
18.856
52.421
83.223
1.00
30.89

ATOM
2945
OH2
TIP
85
27.449
24.537
94.644
1.00
62.62

ATOM
2948
OH2
TIP
86
−1.546
21.109
100.288
1.00
51.77

ATOM
2951
OH2
TIP
87
15.729
35.403
101.377
1.00
39.68

ATOM
2954
OH2
TIP
88
34.403
37.880
76.403
1.00
28.62

ATOM
2957
OH2
TIP
89
24.265
74.217
76.897
1.00
33.70

ATOM
2960
OH2
TIP
90
13.249
22.449
79.551
1.00
32.00

ATOM
2963
OH2
TIP
91
9.902
52.146
79.592
1.00
40.91

ATOM
2966
OH2
TIP
92
20.101
71.150
85.234
1.00
42.55

ATOM
2969
OH2
TIP
93
4.608
59.409
77.922
1.00
43.45

ATOM
2972
OH2
TIP
94
10.440
59.077
64.328
1.00
40.61

ATOM
2975
OH2
TIP
95
17.443
51.837
87.380
1.00
44.75

ATOM
2978
OH2
TIP
96
14.747
19.195
88.163
1.00
32.29

ATOM
2981
OH2
TIP
98
22.641
31.842
72.909
1.00
68.73

ATOM
2984
OH2
TIP
99
16.410
46.201
86.092
1.00
35.14

ATOM
2987
OH2
TIP
100
32.717
59.893
71.213
1.00
53.13

ATOM
2990
OH2
TIP
101
12.529
44.995
98.969
1.00
36.54

ATOM
2993
OH2
TIP
102
15.282
38.471
102.107
1.00
36.81

ATOM
2996
OH2
TIP
103
−1.910
21.152
94.291
1.00
36.76

ATOM
2999
OH2
TIP
104
23.386
43.084
94.045
1.00
37.19

ATOM
3002
OH2
TIP
105
24.169
18.508
94.575
1.00
54.05

ATOM
3005
OH2
TIP
106
32.547
63.480
69.339
1.00
62.31

ATOM
3008
OH2
TIP
107
32.770
33.673
71.653
1.00
36.53

ATOM
3011
OH2
TIP
108
6.133
39.983
88.066
1.00
48.22

ATOM
3014
OH2
TIP
109
27.593
29.189
75.515
1.00
52.79

ATOM
3017
OH2
TIP
110
34.714
32.216
91.918
1.00
32.03

ATOM
3020
OH2
TIP
111
5.948
50.113
63.208
1.00
47.91

ATOM
3023
OH2
TIP
112
7.211
28.277
92.069
1.00
58.25

ATOM
3026
OH2
TIP
113
4.659
62.123
78.278
1.00
65.10

ATOM
3029
OH2
TIP
114
12.092
21.414
95.200
1.00
45.95

ATOM
3032
OH2
TIP
115
−5.762
20.102
93.377
1.00
54.02

ATOM
3035
OH2
TIP
116
34.368
49.023
60.476
1.00
48.95

ATOM
3038
OH2
TIP
117
15.264
39.756
90.933
1.00
50.11

ATOM
3041
OH2
TIP
118
20.473
34.315
86.628
1.00
35.15

ATOM
3044
OH2
TIP
119
12.962
30.648
72.355
1.00
42.72

ATOM
3047
OH2
TIP
120
29.284
70.894
70.767
1.00
60.04

ATOM
3050
OH2
TIP
121
6.144
34.703
75.934
1.00
47.46

ATOM
3053
OH2
TIP
122
26.483
74.969
74.981
1.00
62.56

ATOM
3056
OH2
TIP
123
40.678
38.708
69.386
1.00
42.80

ATOM
3059
OH2
TIP
124
18.287
74.826
79.516
1.00
35.33

ATOM
3062
OH2
TIP
125
24.227
25.786
95.606
1.00
45.47

ATOM
3065
OH2
TIP
126
26.975
26.962
73.533
1.00
31.23

ATOM
3068
OH2
TIP
127
34.377
35.809
70.653
1.00
42.79

ATOM
3071
OH2
TIP
128
9.420
66.131
80.020
1.00
41.85

ATOM
3074
OH2
TIP
129
5.913
42.023
93.982
1.00
37.93

[0233]

5

TABLE 3

Coordinates of Lck bound with AMP-PNP

Atom

Type
Res
#
X
Y
Z
Occ
B

ATOM
1
CB
LYS
231
1.385
26.773
89.461
1.00
21.34

ATOM
2
CG
LYS
231
0.537
26.769
88.245
1.00
21.51

ATOM
3
CD
LYS
231
1.065
25.734
87.277
1.00
23.65

ATOM
4
CE
LYS
231
0.120
25.565
86.108
1.00
23.61

ATOM
5
NZ
LYS
231
0.728
24.648
85.080
1.00
25.65

ATOM
6
HZ1
LYS
231
0.915
23.722
85.493
1.00
0.00

ATOM
7
HZ2
LYS
231
1.620
25.071
84.742
1.00
0.00

ATOM
8
HZ3
LYS
231
0.075
24.561
84.274
1.00
0.00

ATOM
9
C
LYS
231
1.988
27.638
91.652
1.00
19.85

ATOM
10
O
LYS
231
3.059
28.227
91.744
1.00
20.43

ATOM
11
HT1
LYS
231
2.338
29.252
89.546
1.00
0.00

ATOM
12
HT2
LYS
231
1.183
29.956
90.579
1.00
0.00

ATOM
13
N
LYS
231
1.355
29.219
89.879
1.00
20.87

ATOM
14
HT3
LYS
231
0.717
29.358
89.057
1.00
0.00

ATOM
15
CA
LYS
231
1.088
27.870
90.472
1.00
20.91

ATOM
16
N
PRO
232
1.597
26.726
92.561
1.00
18.80

ATOM
17
CD
PRO
232
0.390
25.885
92.560
1.00
18.99

ATOM
18
CA
PRO
232
2.435
26.437
93.733
1.00
17.40

ATOM
19
CB
PRO
232
1.579
25.470
94.538
1.00
18.29

ATOM
20
CG
PRO
232
0.814
24.761
93.509
1.00
19.28

ATOM
21
C
PRO
232
3.705
25.766
93.253
1.00
15.67

ATOM
22
O
PRO
232
3.737
25.184
92.178
1.00
15.72

ATOM
23
N
TRP
233
4.744
25.851
94.063
1.00
15.43

ATOM
24
H
TRP
233
4.653
26.278
94.938
1.00
0.00

ATOM
25
CA
TRP
233
6.049
25.336
93.653
1.00
14.16

ATOM
26
CB
TRP
233
7.123
25.646
94.713
1.00
13.93

ATOM
27
CG
TRP
233
6.954
24.883
96.024
1.00
13.67

ATOM
28
CD2
TRP
233
7.354
23.532
96.282
1.00
13.44

ATOM
29
CE2
TRP
233
7.057
23.264
97.626
1.00
13.68

ATOM
30
CE3
TRP
233
7.945
22.518
95.485
1.00
13.97

ATOM
31
CD1
TRP
233
6.443
25.356
97.181
1.00
13.30

ATOM
32
NE1
TRP
233
6.510
24.402
98.161
1.00
12.97

ATOM
33
HE1
TRP
233
6.237
24.512
99.089
1.00
0.00

ATOM
34
CZ2
TRP
233
7.313
22.031
98.220
1.00
12.53

ATOM
35
CZ3
TRP
233
8.207
21.261
96.095
1.00
12.04

ATOM
36
CH2
TRP
233
7.884
21.044
97.449
1.00
12.52

ATOM
37
C
TRP
233
6.030
23.858
93.280
1.00
14.34

ATOM
38
O
TRP
233
6.738
23.462
92.380
1.00
13.58

ATOM
39
N
TRP
234
5.163
23.064
93.912
1.00
13.99

ATOM
40
H
TRP
234
4.556
23.452
94.570
1.00
0.00

ATOM
41
CA
TRP
234
5.112
21.632
93.603
1.00
14.92

ATOM
42
CB
TRP
234
4.507
20.854
94.790
1.00
13.19

ATOM
43
CG
TRP
234
3.124
21.289
95.147
1.00
12.51

ATOM
44
CD2
TRP
234
2.755
22.231
96.158
1.00
12.55

ATOM
45
CE2
TRP
234
1.346
22.370
96.127
1.00
13.35

ATOM
46
CE3
TRP
234
3.488
22.980
97.079
1.00
14.36

ATOM
47
CD1
TRP
234
1.938
20.883
94.555
1.00
12.11

ATOM
48
NE1
TRP
234
0.874
21.538
95.149
1.00
11.94

ATOM
49
HE1
TRP
234
−0.056
21.431
94.898
1.00
0.00

ATOM
50
CZ2
TRP
234
0.644
23.231
96.982
1.00
13.79

ATOM
51
CZ3
TRP
234
2.786
23.866
97.946
1.00
16.07

ATOM
52
CH2
TRP
234
1.373
23.975
97.886
1.00
16.13

ATOM
53
C
TRP
234
4.405
21.300
92.295
1.00
15.64

ATOM
54
O
TRP
234
4.413
20.139
91.829
1.00
15.96

ATOM
55
N
GLU
235
3.820
22.323
91.686
1.00
16.35

ATOM
56
H
GLU
235
3.838
23.203
92.107
1.00
0.00

ATOM
57
CA
GLU
235
3.152
22.179
90.402
1.00
18.95

ATOM
58
CB
GLU
235
1.672
22.623
90.489
1.00
19.45

ATOM
59
CG
GLU
235
0.789
21.713
91.394
1.00
21.99

ATOM
60
CD
GLU
235
−0.684
21.852
91.119
1.00
24.05

ATOM
61
OE1
GLU
235
−1.084
22.883
90.512
1.00
26.95

ATOM
62
OE2
GLU
235
−1.450
20.942
91.542
1.00
24.79

ATOM
63
C
GLU
235
3.885
23.036
89.360
1.00
19.29

ATOM
64
O
GLU
235
3.701
22.834
88.169
1.00
20.91

ATOM
65
N
ASP
236
4.691
23.997
89.811
1.00
19.88

ATOM
66
H
ASP
236
4.823
24.117
90.773
1.00
0.00

ATOM
67
CA
ASP
236
5.384
24.897
88.880
1.00
20.52

ATOM
68
CB
ASP
236
5.972
26.104
89.645
1.00
21.88

ATOM
69
CG
ASP
236
6.438
27.211
88.724
1.00
24.16

ATOM
70
OD1
ASP
236
5.609
27.763
87.958
1.00
25.94

ATOM
71
OD2
ASP
236
7.641
27.543
88.786
1.00
26.72

ATOM
72
C
ASP
236
6.465
24.212
88.035
1.00
19.94

ATOM
73
O
ASP
236
7.405
23.589
88.560
1.00
20.22

ATOM
74
N
GLU
237
6.363
24.421
86.726
1.00
19.19

ATOM
75
H
GLU
237
5.643
24.976
86.428
1.00
0.00

ATOM
76
CA
GLU
237
7.291
23.876
85.759
1.00
18.93

ATOM
77
CB
GLU
237
6.767
24.171
84.336
1.00
21.53

ATOM
78
CG
GLU
237
5.949
25.481
84.159
1.00
25.16

ATOM
79
CD
GLU
237
4.521
25.450
84.779
1.00
26.69

ATOM
80
OE1
GLU
237
3.679
24.578
84.402
1.00
28.81

ATOM
81
OE2
GLU
237
4.253
26.327
85.629
1.00
28.14

ATOM
82
C
GLU
237
8.740
24.369
85.919
1.00
18.12

ATOM
83
O
GLU
237
9.684
23.709
85.466
1.00
18.57

ATOM
84
N
TRP
238
8.924
25.472
86.635
1.00
16.91

ATOM
85
H
TRP
238
8.164
25.919
87.048
1.00
0.00

ATOM
86
CA
TRP
238
10.266
26.021
86.808
1.00
16.06

ATOM
87
CB
TRP
238
10.289
27.557
86.586
1.00
16.99

ATOM
88
CG
TRP
238
10.110
28.031
85.147
1.00
18.25

ATOM
89
CD2
TRP
238
8.886
28.388
84.524
1.00
19.01

ATOM
90
CE2
TRP
238
9.200
28.819
83.207
1.00
18.54

ATOM
91
CE3
TRP
238
7.547
28.380
84.949
1.00
18.64

ATOM
92
CD1
TRP
238
11.090
28.244
84.221
1.00
17.51

ATOM
93
NE1
TRP
238
10.558
28.711
83.052
1.00
18.52

ATOM
94
HE1
TRP
238
11.049
28.951
82.237
1.00
0.00

ATOM
95
CZ2
TRP
238
8.216
29.244
82.317
1.00
20.29

ATOM
96
CZ3
TRP
238
6.582
28.790
84.075
1.00
20.70

ATOM
97
CH2
TRP
238
6.908
29.220
82.767
1.00
20.69

ATOM
98
C
TRP
238
10.976
25.689
88.109
1.00
14.67

ATOM
99
O
TRP
238
12.196
25.840
88.205
1.00
14.18

ATOM
100
N
GLU
239
10.264
25.185
89.119
1.00
13.40

ATOM
101
H
GLU
239
9.309
25.008
89.012
1.00
0.00

ATOM
102
CA
GLU
239
10.915
24.882
90.388
1.00
12.41

ATOM
103
CB
GLU
239
9.893
24.602
91.513
1.00
13.82

ATOM
104
CG
GLU
239
10.526
24.406
92.876
1.00
13.92

ATOM
105
CD
GLU
239
10.802
25.700
93.640
1.00
15.04

ATOM
106
OE1
GLU
239
10.143
26.716
93.321
1.00
15.02

ATOM
107
OE2
GLU
239
11.666
25.716
94.544
1.00
14.50

ATOM
108
C
GLU
239
11.804
23.648
90.233
1.00
12.24

ATOM
109
O
GLU
239
11.391
22.668
89.611
1.00
13.77

ATOM
110
N
VAL
240
13.023
23.735
90.766
1.00
11.71

ATOM
111
H
VAL
240
13.299
24.560
91.203
1.00
0.00

ATOM
112
CA
VAL
240
13.945
22.598
90.744
1.00
12.51

ATOM
113
CB
VAL
240
15.105
22.733
89.670
1.00
12.10

ATOM
114
CG1
VAL
240
14.585
22.850
88.277
1.00
13.18

ATOM
115
CG2
VAL
240
16.071
23.859
90.061
1.00
10.76

ATOM
116
C
VAL
240
14.616
22.422
92.110
1.00
12.39

ATOM
117
O
VAL
240
14.841
23.375
92.870
1.00
12.42

ATOM
118
N
PRO
241
14.908
21.154
92.491
1.00
11.86

ATOM
119
CD
PRO
241
14.473
19.902
91.840
1.00
12.24

ATOM
120
CA
PRO
241
15.568
20.912
93.767
1.00
12.65

ATOM
121
CB
PRO
241
15.730
19.372
93.775
1.00
11.78

ATOM
122
CG
PRO
241
14.565
18.895
92.974
1.00
12.22

ATOM
123
C
PRO
241
16.962
21.570
93.740
1.00
11.85

ATOM
124
O
PRO
241
17.620
21.555
92.693
1.00
12.46

ATOM
125
N
ARG
242
17.384
22.198
94.832
1.00
12.89

ATOM
126
H
ARG
242
16.795
22.250
95.619
1.00
0.00

ATOM
127
CA
ARG
242
18.708
22.830
94.861
1.00
12.40

ATOM
128
CB
ARG
242
18.950
23.533
96.193
1.00
14.75

ATOM
129
CG
ARG
242
20.091
24.535
96.113
1.00
15.25

ATOM
130
CD
ARG
242
20.541
25.070
97.460
1.00
17.56

ATOM
131
NE
ARG
242
19.422
25.556
98.268
1.00
18.07

ATOM
132
HE
ARG
242
19.107
24.977
98.985
1.00
0.00

ATOM
133
CZ
ARG
242
18.799
26.724
98.110
1.00
19.12

ATOM
134
NH1
ARG
242
19.166
27.577
97.161
1.00
19.73

ATOM
135
HH11
ARG
242
19.915
27.339
96.534
1.00
0.00

ATOM
136
HH12
ARG
242
18.676
28.436
97.031
1.00
0.00

ATOM
137
NH2
ARG
242
17.780
27.032
98.902
1.00
18.83

ATOM
138
HH21
ARG
242
17.506
26.405
99.623
1.00
0.00

ATOM
139
HH22
ARG
242
17.312
27.908
98.781
1.00
0.00

ATOM
140
C
ARG
242
19.895
21.875
94.555
1.00
12.95

ATOM
141
O
ARG
242
20.894
22.277
93.987
1.00
11.99

ATOM
142
N
GLU
243
19.697
20.585
94.822
1.00
13.41

ATOM
143
H
GLU
243
18.842
20.286
95.170
1.00
0.00

ATOM
144
CA
GLU
243
20.754
19.606
94.572
1.00
14.21

ATOM
145
CB
GLU
243
20.342
18.237
95.178
1.00
16.12

ATOM
146
CG
GLU
243
20.061
18.260
96.691
1.00
21.22

ATOM
147
CD
GLU
243
18.709
18.847
97.095
1.00
22.86

ATOM
148
OE1
GLU
243
17.795
18.975
96.259
1.00
22.70

ATOM
149
OE2
GLU
243
18.539
19.103
98.316
1.00
25.06

ATOM
150
C
GLU
243
21.102
19.446
93.076
1.00
12.77

ATOM
151
O
GLU
243
22.152
18.874
92.721
1.00
12.70

ATOM
152
N
THR
244
20.240
19.959
92.200
1.00
11.90

ATOM
153
H
THR
244
19.429
20.393
92.526
1.00
0.00

ATOM
154
CA
THR
244
20.480
19.869
90.761
1.00
11.33

ATOM
155
CB
THR
244
19.178
20.061
89.922
1.00
11.58

ATOM
156
OG1
THR
244
18.722
21.409
90.111
1.00
12.20

ATOM
157
HG1
THR
244
18.543
21.529
91.048
1.00
0.00

ATOM
158
CG2
THR
244
18.068
19.018
90.329
1.00
11.12

ATOM
159
C
THR
244
21.513
20.905
90.309
1.00
10.60

ATOM
160
O
THR
244
22.005
20.841
89.187
1.00
9.84

ATOM
161
N
LEU
245
21.893
21.813
91.196
1.00
10.02

ATOM
162
H
LEU
245
21.570
21.783
92.115
1.00
0.00

ATOM
163
CA
LEU
245
22.835
22.865
90.806
1.00
10.44

ATOM
164
CB
LEU
245
22.179
24.221
91.148
1.00
9.40

ATOM
165
CG
LEU
245
20.838
24.462
90.428
1.00
10.29

ATOM
166
CD1
LEU
245
20.055
25.579
91.158
1.00
11.97

ATOM
167
CD2
LEU
245
21.079
24.863
88.989
1.00
11.52

ATOM
168
C
LEU
245
24.183
22.828
91.494
1.00
11.15

ATOM
169
O
LEU
245
24.257
22.514
92.699
1.00
13.40

ATOM
170
N
LYS
246
25.230
23.052
90.715
1.00
10.77

ATOM
171
H
LYS
246
25.086
23.177
89.756
1.00
0.00

ATOM
172
CA
LYS
246
26.597
23.139
91.215
1.00
12.14

ATOM
173
CB
LYS
246
27.528
22.118
90.572
1.00
13.85

ATOM
174
CG
LYS
246
28.935
22.225
91.133
1.00
16.33

ATOM
175
CD
LYS
246
29.970
21.564
90.205
1.00
19.11

ATOM
176
CE
LYS
246
31.305
21.487
90.910
1.00
20.77

ATOM
177
NZ
LYS
246
32.177
20.585
90.041
1.00
22.87

ATOM
178
HZ1
LYS
246
32.285
20.988
89.106
1.00
0.00

ATOM
179
HZ2
LYS
246
31.712
19.652
89.977
1.00
0.00

ATOM
180
HZ3
LYS
246
33.102
20.464
90.502
1.00
0.00

ATOM
181
C
LYS
246
27.051
24.538
90.814
1.00
10.91

ATOM
182
O
LYS
246
27.037
24.876
89.642
1.00
10.91

ATOM
183
N
LEU
247
27.367
25.383
91.798
0.60
9.61

ATOM
184
H
LEU
247
27.319
25.075
92.714
1.00
0.00

ATOM
185
CA
LEU
247
27.815
26.761
91.532
0.60
9.63

ATOM
186
CB
LEU
247
27.348
27.712
92.652
0.60
9.83

ATOM
187
CG
LEU
247
25.846
28.129
92.642
0.60
10.31

ATOM
188
CD1
LEU
247
24.882
26.939
92.630
0.60
13.23

ATOM
189
CD2
LEU
247
25.564
29.031
93.833
0.60
11.95

ATOM
190
C
LEU
247
29.327
26.666
91.428
0.60
10.71

ATOM
191
O
LEU
247
29.973
26.180
92.342
0.60
10.43

ATOM
192
N
VAL
248
29.873
27.137
90.313
1.00
11.88

ATOM
193
H
VAL
248
29.310
27.614
89.675
1.00
0.00

ATOM
194
CA
VAL
248
31.310
26.991
90.003
1.00
13.11

ATOM
195
CB
VAL
248
31.498
26.319
88.602
1.00
13.53

ATOM
196
CG1
VAL
248
32.978
26.241
88.210
1.00
14.85

ATOM
197
CG2
VAL
248
30.899
24.899
88.605
1.00
14.81

ATOM
198
C
VAL
248
32.186
28.216
90.080
1.00
14.16

ATOM
199
O
VAL
248
33.270
28.175
90.679
1.00
14.80

ATOM
200
N
GLU
249
31.725
29.312
89.495
1.00
13.26

ATOM
201
H
GLU
249
30.834
29.309
89.093
1.00
0.00

ATOM
202
CA
GLU
249
32.508
30.530
89.468
1.00
13.80

ATOM
203
CB
GLU
249
33.134
30.677
88.091
1.00
15.55

ATOM
204
CG
GLU
249
34.014
31.912
87.944
1.00
18.90

ATOM
205
CD
GLU
249
34.405
32.210
86.510
1.00
21.24

ATOM
206
OE1
GLU
249
34.135
31.393
85.593
1.00
24.08

ATOM
207
OE2
GLU
249
34.913
33.319
86.265
1.00
22.80

ATOM
208
C
GLU
249
31.631
31.727
89.746
1.00
13.85

ATOM
209
O
GLU
249
30.599
31.893
89.107
1.00
13.22

ATOM
210
N
ARG
250
32.032
32.565
90.691
1.00
13.43

ATOM
211
H
ARG
250
32.845
32.390
91.203
1.00
0.00

ATOM
212
CA
ARG
250
31.238
33.756
90.975
1.00
13.91

ATOM
213
CB
ARG
250
31.424
34.209
92.429
1.00
15.62

ATOM
214
CG
ARG
250
30.454
35.361
92.785
1.00
18.83

ATOM
215
CD
ARG
250
30.548
35.864
94.224
1.00
21.47

ATOM
216
NE
ARG
250
31.929
35.904
94.643
1.00
24.18

ATOM
217
HE
ARG
250
32.576
35.446
94.077
1.00
0.00

ATOM
218
CZ
ARG
250
32.379
36.480
95.742
1.00
25.74

ATOM
219
NH1
ARG
250
31.558
37.136
96.561
1.00
27.48

ATOM
220
HH11
ARG
250
30.581
37.188
96.376
1.00
0.00

ATOM
221
HH12
ARG
250
31.927
37.552
97.403
1.00
0.00

ATOM
222
NH2
ARG
250
33.593
36.137
96.166
1.00
28.18

ATOM
223
HH21
ARG
250
34.096
35.413
95.681
1.00
0.00

ATOM
224
HH22
ARG
250
33.955
36.514
97.011
1.00
0.00

ATOM
225
C
ARG
250
31.596
34.847
89.970
1.00
13.66

ATOM
226
O
ARG
250
32.789
35.114
89.719
1.00
15.10

ATOM
227
N
LEU
251
30.567
35.378
89.300
1.00
12.58

ATOM
228
H
LEU
251
29.669
35.062
89.490
1.00
0.00

ATOM
229
CA
LEU
251
30.723
36.409
88.295
1.00
11.75

ATOM
230
CB
LEU
251
29.719
36.195
87.157
1.00
12.32

ATOM
231
CG
LEU
251
29.810
34.803
86.565
1.00
11.37

ATOM
232
CD1
LEU
251
28.787
34.682
85.487
1.00
11.33

ATOM
233
CD2
LEU
251
31.198
34.554
86.008
1.00
12.76

ATOM
234
C
LEU
251
30.524
37.797
88.874
1.00
12.74

ATOM
235
O
LEU
251
31.043
38.767
88.320
1.00
13.60

ATOM
236
N
GLY
252
29.736
37.884
89.939
1.00
12.51

ATOM
237
H
GLY
252
29.333
37.075
90.321
1.00
0.00

ATOM
238
CA
GLY
252
29.458
39.185
90.521
1.00
13.79

ATOM
239
C
GLY
252
28.902
39.056
91.900
1.00
13.34

ATOM
240
O
GLY
252
28.356
38.030
92.292
1.00
13.87

ATOM
241
N
ALA
253
29.086
40.120
92.672
1.00
14.74

ATOM
242
H
ALA
253
29.577
40.898
92.327
1.00
0.00

ATOM
243
CA
ALA
253
28.596
40.172
94.040
1.00
16.13

ATOM
244
CB
ALA
253
29.648
39.731
95.035
1.00
15.97

ATOM
245
C
ALA
253
28.179
41.593
94.332
1.00
17.39

ATOM
246
O
ALA
253
28.882
42.558
94.005
1.00
17.53

ATOM
247
N
GLY
254
27.033
41.707
94.977
1.00
17.78

ATOM
248
H
GLY
254
26.551
40.907
95.239
1.00
0.00

ATOM
249
CA
GLY
254
26.517
43.011
95.317
1.00
18.08

ATOM
250
C
GLY
254
25.728
42.948
96.598
1.00
17.45

ATOM
251
O
GLY
254
25.644
41.956
97.325
1.00
17.19

ATOM
252
N
GLN
255
25.101
44.066
96.868
1.00
18.33

ATOM
253
H
GLN
255
25.164
44.813
96.258
1.00
0.00

ATOM
254
CA
GLN
255
24.301
44.213
98.045
1.00
19.13

ATOM
255
CB
GLN
255
23.771
45.594
97.946
1.00
19.95

ATOM
256
CG
GLN
255
23.078
46.146
99.052
1.00
22.32

ATOM
257
CD
GLN
255
22.847
47.590
98.718
1.00
24.50

ATOM
258
OE1
GLN
255
22.188
48.281
99.453
1.00
26.43

ATOM
259
NE2
GLN
255
23.403
48.048
97.588
1.00
26.54

ATOM
260
HE21
GLN
255
23.980
47.407
97.016
1.00
0.00

ATOM
261
HE22
GLN
255
23.348
48.942
97.308
1.00
0.00

ATOM
262
C
GLN
255
23.114
43.280
98.164
1.00
18.89

ATOM
263
O
GLN
255
22.715
42.912
99.277
1.00
18.97

ATOM
264
N
PHE
256
22.566
42.891
97.016
1.00
18.57

ATOM
265
H
PHE
256
22.967
43.162
96.160
1.00
0.00

ATOM
266
CA
PHE
256
21.387
42.039
97.045
1.00
18.53

ATOM
267
CB
PHE
256
20.361
42.561
96.047
1.00
18.42

ATOM
268
CG
PHE
256
20.043
44.006
96.223
1.00
19.55

ATOM
269
CD1
PHE
256
19.660
44.487
97.462
1.00
19.76

ATOM
270
CD2
PHE
256
20.163
44.889
95.149
1.00
19.70

ATOM
271
CE1
PHE
256
19.391
45.854
97.651
1.00
20.60

ATOM
272
CE2
PHE
256
19.905
46.252
95.312
1.00
20.72

ATOM
273
CZ
PHE
256
19.517
46.734
96.572
1.00
21.23

ATOM
274
C
PHE
256
21.689
40.589
96.752
1.00
18.00

ATOM
275
O
PHE
256
20.764
39.761
96.636
1.00
16.87

ATOM
276
N
GLY
257
22.973
40.284
96.577
1.00
17.57

ATOM
277
H
GLY
257
23.667
40.987
96.619
1.00
0.00

ATOM
278
CA
GLY
257
23.337
38.913
96.293
1.00
17.34

ATOM
279
C
GLY
257
24.491
38.688
95.333
1.00
17.02

ATOM
280
O
GLY
257
25.258
39.602
95.011
1.00
17.68

ATOM
281
N
GLY
258
24.501
37.481
94.753
1.00
14.48

ATOM
282
H
GLU
258
23.782
36.853
94.960
1.00
0.00

ATOM
283
CA
GLU
258
25.569
37.077
93.856
1.00
14.43

ATOM
284
CB
GLU
258
26.448
36.038
94.559
1.00
15.81

ATOM
285
CG
GLU
258
27.085
36.578
95.872
1.00
19.83

ATOM
286
CD
GLU
258
28.011
35.584
96.576
1.00
22.41

ATOM
287
OE1
GLU
258
27.731
34.360
96.582
1.00
24.84

ATOM
288
OE2
GLU
258
29.021
36.035
97.165
1.00
26.85

ATOM
289
C
GLU
258
25.069
36.481
92.551
1.00
12.27

ATOM
290
O
GLU
258
23.942
36.024
92.462
1.00
12.35

ATOM
291
N
VAL
259
25.939
36.480
91.562
0.77
9.83

ATOM
292
H
VAL
259
26.806
36.897
91.710
1.00
0.00

ATOM
293
CA
VAL
259
25.657
35.863
90.262
0.77
8.93

ATOM
294
CB
VAL
259
25.650
36.867
89.108
0.77
9.26

ATOM
295
CG1
VAL
259
25.414
36.115
87.754
0.77
8.23

ATOM
296
CG2
VAL
259
24.500
37.872
89.347
0.771
0.50

ATOM
297
C
VAL
259
26.795
34.888
90.038
0.77
8.47

ATOM
298
O
VAL
259
27.958
35.272
90.143
0.77
7.91

ATOM
299
N
TRP
260
26.454
33.642
89.724
1.00
7.79

ATOM
300
H
TRP
260
25.509
33.403
89.658
1.00
0.00

ATOM
301
CA
TRP
260
27.449
32.614
89.503
1.00
8.79

ATOM
302
CB
TRP
260
27.298
31.522
90.561
1.00
10.03

ATOM
303
CG
TRP
260
27.700
31.898
91.938
1.00
12.72

ATOM
304
CD2
TRP
260
28.837
31.392
92.653
1.00
13.43

ATOM
305
CE2
TRP
260
28.838
32.008
93.918
1.00
15.26

ATOM
306
CE3
TRP
260
29.836
30.464
92.335
1.00
14.66

ATOM
307
CD1
TRP
260
27.066
32.770
92.780
1.00
12.67

ATOM
308
NE1
TRP
260
27.763
32.834
93.984
1.00
15.10

ATOM
309
HE1
TRP
260
27.518
33.395
94.742
1.00
0.00

ATOM
310
CZ2
TRP
260
29.825
31.723
94.876
1.00
16.09

ATOM
311
CZ3
TRP
260
30.813
30.188
93.297
1.00
16.92

ATOM
312
CH2
TRP
260
30.796
30.815
94.547
1.00
16.41

ATOM
313
C
TRP
260
27.242
31.864
88.202
1.00
8.56

ATOM
314
O
TRP
260
26.132
31.790
87.674
1.00
9.60

ATOM
315
N
MET
261
28.341
31.349
87.662
1.00
8.43

ATOM
316
H
MET
261
29.227
31.596
87.991
1.00
0.00

ATOM
317
CA
MET
261
28.222
30.439
86.541
1.00
7.71

ATOM
318
CB
MET
261
29.469
30.486
85.644
1.00
9.06

ATOM
319
CG
MET
261
29.476
29.473
84.493
1.00
9.93

ATOM
320
SD
MET
261
30.097
27.818
85.014
1.00
12.84

ATOM
321
CE
MET
261
31.911
28.132
85.302
1.00
15.22

ATOM
322
C
MET
261
28.150
29.077
87.245
1.00
8.44

ATOM
323
O
MET
261
28.814
28.856
88.244
1.00
8.95

ATOM
324
N
GLY
262
27.295
28.195
86.773
1.00
8.18

ATOM
325
H
GLY
262
26.731
28.417
86.018
1.00
0.00

ATOM
326
CA
GLY
262
27.203
26.878
87.413
1.00
8.32

ATOM
327
C
GLY
262
26.648
25.894
86.401
1.00
5.91

ATOM
328
O
GLY
262
26.517
26.175
85.206
1.00
5.98

ATOM
329
N
TYR
263
26.415
24.666
86.875
1.00
6.89

ATOM
330
H
TYR
263
26.583
24.448
87.807
1.00
0.00

ATOM
331
CA
TYR
263
25.861
23.637
85.987
1.00
7.28

ATOM
332
CB
TYR
263
26.889
22.496
85.841
1.00
8.06

ATOM
333
CG
TYR
263
28.080
22.924
85.048
1.00
10.09

ATOM
334
CD1
TYR
263
28.044
22.868
83.662
1.00
10.54

ATOM
335
CE1
TYR
263
29.066
23.364
82.901
1.00
14.47

ATOM
336
CD2
TYR
263
29.184
23.476
85.673
1.00
12.72

ATOM
337
CE2
TYR
263
30.221
23.978
84.935
1.00
14.68

ATOM
338
CZ
TYR
263
30.160
23.926
83.547
1.00
15.68

ATOM
339
OH
TYR
263
31.170
24.487
82.778
1.00
20.07

ATOM
340
HH
TYR
263
30.989
24.389
81.857
1.00
0.00

ATOM
341
C
TYR
263
24.615
23.016
86.596
1.00
6.81

ATOM
342
O
TYR
263
24.563
22.811
87.826
1.00
8.23

ATOM
343
N
TYR
264
23.617
22.767
85.750
1.00
7.63

ATOM
344
H
TYR
264
23.733
23.013
84.815
1.00
0.00

ATOM
345
CA
TYR
264
22.369
22.110
86.128
1.00
8.60

ATOM
346
CB
TYR
264
21.156
22.808
85.446
1.00
9.34

ATOM
347
CG
TYR
264
19.866
22.028
85.585
1.00
9.75

ATOM
348
CD1
TYR
264
19.102
22.129
86.754
1.00
10.24

ATOM
349
CE1
TYR
264
17.959
21.354
86.929
1.00
10.67

ATOM
350
CD2
TYR
264
19.453
21.136
84.586
1.00
11.81

ATOM
351
CE2
TYR
264
18.282
20.337
84.756
1.00
11.92

ATOM
352
CZ
TYR
264
17.562
20.474
85.941
1.00
12.03

ATOM
353
OH
TYR
264
16.420
19.720
86.154
1.00
14.04

ATOM
354
HH
TYR
264
16.040
19.932
86.999
1.00
0.00

ATOM
355
C
TYR
264
22.492
20.651
85.665
1.00
8.08

ATOM
356
O
TYR
264
22.826
20.368
84.513
1.00
7.72

ATOM
357
N
ASN
265
22.291
19.749
86.621
1.00
8.42

ATOM
358
H
ASN
265
22.114
20.076
87.520
1.00
0.00

ATOM
359
CA
ASN
265
22.350
18.290
86.352
1.00
8.83

ATOM
360
CB
ASN
265
21.111
17.794
85.571
1.00
10.23

ATOM
361
CG
ASN
265
19.909
17.513
86.449
1.00
12.04

ATOM
362
OD1
ASN
265
18.922
16.924
85.971
1.00
16.27

ATOM
363
ND2
ASN
265
19.987
17.846
87.700
1.00
10.60

ATOM
364
HD21
ASN
265
20.791
18.278
88.040
1.00
0.00

ATOM
365
HD22
ASN
265
19.200
17.675
88.263
1.00
0.00

ATOM
366
C
ASN
265
23.655
17.896
85.654
1.00
8.05

ATOM
367
O
ASN
265
23.664
17.133
84.672
1.00
9.88

ATOM
368
N
GLY
266
24.734
18.494
86.141
1.00
7.83

ATOM
369
H
GLY
266
24.621
19.165
86.832
1.00
0.00

ATOM
370
CA
GLY
266
26.076
18.161
85.677
1.00
6.92

ATOM
371
C
GLY
266
26.558
18.718
84.367
1.00
6.25

ATOM
372
O
GLY
266
27.690
19.215
84.313
1.00
9.19

ATOM
373
N
HIS
267
25.705
18.747
83.348
0.49
2.00

ATOM
374
H
HIS
267
24.768
18.516
83.488
1.00
0.00

ATOM
375
CA
HIS
267
26.132
19.118
82.007
0.49
2.00

ATOM
376
CB
HIS
267
25.644
18.007
81.071
0.49
2.00

ATOM
377
CG
HIS
267
26.288
16.707
81.346
0.49
2.00

ATOM
378
CD2
HIS
267
27.610
16.377
81.362
0.49
2.00

ATOM
379
ND1
HIS
267
25.611
15.575
81.738
0.49
2.60

ATOM
380
HD1
HIS
267
24.637
15.483
81.811
1.00
0.00

ATOM
381
CE1
HIS
267
26.481
14.607
81.990
0.49
2.00

ATOM
382
NE2
HIS
267
27.697
15.089
81.760
0.49
3.36

ATOM
383
HE2
HIS
267
28.533
14.590
81.874
1.00
0.00

ATOM
384
C
HIS
267
25.678
20.418
81.398
0.49
2.00

ATOM
385
O
HIS
267
26.213
20.808
80.365
0.49
2.30

ATOM
386
N
THR
268
24.710
21.092
82.013
1.00
5.29

ATOM
387
H
THR
268
24.397
20.822
82.896
1.00
0.00

ATOM
388
CA
THR
268
24.145
22.270
81.320
1.00
6.10

ATOM
389
CB
THR
268
22.609
22.169
81.303
1.00
7.20

ATOM
390
OG1
THR
268
22.235
20.980
80.601
1.00
7.82

ATOM
391
HG1
THR
268
22.598
20.214
81.047
1.00
0.00

ATOM
392
CG2
THR
268
22.010
23.369
80.495
1.00
7.70

ATOM
393
C
THR
268
24.549
23.551
82.050
1.00
5.45

ATOM
394
O
THR
268
24.164
23.747
83.189
1.00
6.14

ATOM
395
N
LYS
269
25.347
24.370
81.356
1.00
6.47

ATOM
396
H
LYS
269
25.557
24.141
80.425
1.00
0.00

ATOM
397
CA
LYS
269
25.901
25.592
81.925
1.00
6.35

ATOM
398
CB
LYS
269
26.940
26.166
80.973
1.00
7.90

ATOM
399
CG
LYS
269
27.866
27.140
81.613
1.00
10.78

ATOM
400
CD
LYS
269
29.023
27.358
80.618
1.00
13.81

ATOM
401
CE
LYS
269
30.233
27.795
81.340
1.00
17.11

ATOM
402
NZ
LYS
269
31.390
27.884
80.376
1.00
19.10

ATOM
403
HZ1
LYS
269
31.172
28.567
79.641
1.00
0.00

ATOM
404
HZ2
LYS
269
31.566
26.944
79.962
1.00
0.00

ATOM
405
HZ3
LYS
269
32.243
28.180
80.907
1.00
0.00

ATOM
406
C
LYS
269
24.753
26.567
82.074
1.00
7.04

ATOM
407
O
LYS
269
23.952
26.722
81.169
1.00
7.34

ATOM
408
N
VAL
270
24.690
27.205
83.238
1.00
5.91

ATOM
409
H
VAL
270
25.398
27.048
83.893
1.00
0.00

ATOM
410
CA
VAL
270
23.629
28.177
83.546
1.00
6.63

ATOM
411
CB
VAL
270
22.509
27.481
84.400
1.00
6.46

ATOM
412
CG1
VAL
270
21.803
26.405
83.568
1.00
7.32

ATOM
413
CG2
VAL
270
23.083
26.839
85.698
1.00
7.53

ATOM
414
C
VAL
270
24.182
29.316
84.395
1.00
6.17

ATOM
415
O
VAL
270
25.268
29.240
84.916
1.00
6.51

ATOM
416
N
ALA
271
23.443
30.426
84.450
1.00
6.02

ATOM
417
H
ALA
271
22.644
30.496
83.891
1.00
0.00

ATOM
418
CA
ALA
271
23.788
31.527
85.338
1.00
5.74

ATOM
419
CB
ALA
271
23.574
32.853
84.648
1.00
5.67

ATOM
420
C
ALA
271
22.814
31.423
86.540
1.00
5.85

ATOM
421
O
ALA
271
21.608
31.142
86.381
1.00
7.29

ATOM
422
N
VAL
272
23.318
31.635
87.747
1.00
7.39

ATOM
423
H
VAL
272
24.267
31.833
87.843
1.00
0.00

ATOM
424
CA
VAL
272
22.475
31.543
88.936
1.00
8.08

ATOM
425
CB
VAL
272
22.969
30.428
89.899
1.00
8.79

ATOM
426
CG1
VAL
272
22.070
30.343
91.136
1.00
9.68

ATOM
427
CG2
VAL
272
23.015
29.076
89.131
1.00
9.63

ATOM
428
C
VAL
272
22.581
32.834
89.722
1.00
9.60

ATOM
429
O
VAL
272
23.684
33.284
89.989
1.00
11.01

ATOM
430
N
LYS
273
21.451
33.495
89.956
1.00
9.34

ATOM
431
H
LYS
273
20.623
33.163
89.587
1.00
0.00

ATOM
432
CA
LYS
273
21.441
34.713
90.766
1.00
9.94

ATOM
433
CB
LYS
273
20.613
35.821
90.094
1.00
13.05

ATOM
434
CG
LYS
273
20.444
36.981
91.030
1.00
16.55

ATOM
435
CD
LYS
273
20.241
38.260
90.283
1.00
18.34

ATOM
436
CE
LYS
273
18.990
38.229
89.471
1.00
18.99

ATOM
437
NZ
LYS
273
18.646
39.634
89.043
1.00
21.97

ATOM
438
HZ1
LYS
273
19.448
40.027
88.524
1.00
0.00

ATOM
439
HZ2
LYS
273
18.496
40.175
89.925
1.00
0.00

ATOM
440
HZ3
LYS
273
17.792
39.616
88.478
1.00
0.00

ATOM
441
C
LYS
273
20.871
34.330
92.124
1.00
10.21

ATOM
442
O
LYS
273
19.781
33.769
92.200
1.00
10.49

ATOM
443
N
SER
274
21.606
34.614
93.188
0.65
8.89

ATOM
444
H
SER
274
22.451
35.070
93.082
1.00
0.00

ATOM
445
CA
SER
274
21.170
34.262
94.530
0.65
10.39

ATOM
446
CB
SER
274
22.290
33.526
95.266
0.65
10.95

ATOM
447
OG
SER
274
23.412
34.386
95.458
0.65
12.46

ATOM
448
HG
SER
274
23.734
34.694
94.615
1.00
0.00

ATOM
449
C
SER
274
20.827
35.531
95.287
0.65
10.72

ATOM
450
O
SER
274
21.436
36.556
95.060
0.65
11.54

ATOM
451
N
LEU
275
19.802
35.439
96.128
1.00
12.75

ATOM
452
H
LEU
275
19.341
34.581
96.220
1.00
0.00

ATOM
453
CA
LEU
275
19.322
36.539
96.946
1.00
14.16

ATOM
454
CB
LEU
275
17.799
36.441
97.131
1.00
14.72

ATOM
455
CG
LEU
275
17.126
37.358
98.176
1.00
15.26

ATOM
456
CD1
LEU
275
17.373
38.810
97.880
1.00
14.76

ATOM
457
CD2
LEU
275
15.642
37.071
98.223
1.00
15.40

ATOM
458
C
LEU
275
19.957
36.461
98.300
1.00
14.90

ATOM
459
O
LEU
275
19.884
35.439
98.984
1.00
15.55

ATOM
460
N
LYS
276
20.560
37.570
98.687
1.00
16.04

ATOM
461
H
LYS
276
20.585
38.337
98.075
1.00
0.00

ATOM
462
CA
LYS
276
21.161
37.698
100.008
1.00
18.12

ATOM
463
CB
LYS
276
22.041
38.935
100.022
1.00
17.89

ATOM
464
CG
LYS
276
22.544
39.200
101.420
1.00
20.43

ATOM
465
CD
LYS
276
23.537
40.284
101.422
1.00
21.32

ATOM
466
CE
LYS
276
24.127
40.343
102.800
1.00
23.30

ATOM
467
NZ
LYS
276
25.301
41.227
102.750
1.00
23.81

ATOM
468
HZ1
LYS
276
25.023
42.181
102.440
1.00
0.00

ATOM
469
HZ2
LYS
276
25.992
40.837
102.068
1.00
0.00

ATOM
470
HZ3
LYS
276
25.742
41.282
103.688
1.00
0.00

ATOM
471
C
LYS
276
20.010
37.870
100.986
1.00
18.63

ATOM
472
O
LYS
276
19.317
38.883
100.927
1.00
18.34

ATOM
473
N
ALA
277
19.804
36.878
101.854
1.00
20.10

ATOM
474
H
ALA
277
20.411
36.106
101.843
1.00
0.00

ATOM
475
CA
ALA
277
18.696
36.896
102.809
1.00
21.51

ATOM
476
CB
ALA
277
18.744
35.672
103.740
1.00
21.27

ATOM
477
C
ALA
277
18.662
38.192
103.608
1.00
21.38

ATOM
478
O
ALA
277
19.689
38.632
104.114
1.00
23.46

ATOM
479
N
GLY
278
17.498
38.841
103.623
1.00
21.75

ATOM
480
H
GLY
278
16.742
38.457
103.137
1.00
0.00

ATOM
481
CA
GLY
278
17.335
40.098
104.345
1.00
21.96

ATOM
482
C
GLY
278
17.703
41.377
103.617
1.00
21.14

ATOM
483
O
GLY
278
17.305
42.473
104.045
1.00
22.05

ATOM
484
N
SER
279
18.394
41.263
102.487
1.00
20.64

ATOM
485
H
SER
279
18.644
40.372
102.161
1.00
0.00

ATOM
486
CA
SER
279
18.819
42.442
101.738
1.00
19.52

ATOM
487
CB
SER
279
19.972
42.078
100.785
1.00
19.84

ATOM
488
OG
SER
279
19.440
41.327
99.694
1.00
18.98

ATOM
489
HG
SER
279
20.154
41.097
99.086
1.00
0.00

ATOM
490
C
SER
279
17.712
43.126
100.952
1.00
19.74

ATOM
491
O
SER
279
17.835
44.293
100.568
1.00
20.02

ATOM
492
N
MET
280
16.637
42.390
100.700
1.00
17.85

ATOM
493
H
MET
280
16.594
41.465
101.047
1.00
0.00

ATOM
494
CA
MET
280
15.489
42.901
99.956
1.00
16.89

ATOM
495
CB
MET
280
15.839
43.178
98.496
1.00
17.51

ATOM
496
CG
MET
280
16.225
41.950
97.688
1.00
17.40

ATOM
497
SD
MET
280
16.460
42.297
95.951
1.00
18.85

ATOM
498
CE
MET
280
14.770
42.465
95.400
1.00
16.54

ATOM
499
C
MET
280
14.422
41.828
100.044
1.00
15.88

ATOM
500
O
MET
280
14.692
40.713
100.422
1.00
16.00

ATOM
501
N
SER
281
13.194
42.197
99.739
1.00
14.52

ATOM
502
H
SER
281
13.024
43.121
99.473
1.00
0.00

ATOM
503
CA
SER
281
12.100
41.271
99.799
1.00
14.28

ATOM
504
CB
SER
281
10.811
42.032
99.436
1.00
15.24

ATOM
505
OG
SER
281
9.768
41.133
99.163
1.00
16.19

ATOM
506
HG
SER
281
10.032
40.550
98.442
1.00
0.00

ATOM
507
C
SER
281
12.231
40.062
98.869
1.00
12.89

ATOM
508
O
SER
281
12.536
40.225
97.691
1.00
12.83

ATOM
509
N
PRO
282
11.948
38.860
99.374
0.51
11.26

ATOM
510
CD
PRO
282
11.412
38.488
100.692
0.51
10.63

ATOM
511
CA
PRO
282
12.044
37.698
98.489
0.51
9.61

ATOM
512
CB
PRO
282
11.828
36.511
99.427
0.51
9.95

ATOM
513
CG
PRO
282
11.890
37.067
100.820
0.51
10.91

ATOM
514
C
PRO
282
10.938
37.789
97.410
0.51
8.61

ATOM
515
O
PRO
282
11.081
37.265
96.317
0.51
5.03

ATOM
516
N
ASP
283
9.820
38.444
97.734
1.00
10.53

ATOM
517
H
ASP
283
9.710
38.821
98.636
1.00
0.00

ATOM
518
CA
ASP
283
8.752
38.607
96.773
1.00
11.00

ATOM
519
CB
ASP
283
7.477
39.171
97.472
1.00
13.39

ATOM
520
CG
ASP
283
6.286
39.334
96.495
1.00
16.20

ATOM
521
OD1
ASP
283
5.792
38.307
95.941
1.00
18.15

ATOM
522
OD2
ASP
283
5.810
40.470
96.263
1.00
16.68

ATOM
523
C
ASP
283
9.237
39.535
95.651
1.00
10.60

ATOM
524
O
ASP
283
9.008
39.267
94.491
1.00
11.89

ATOM
525
N
ALA
284
9.901
40.638
96.000
1.00
12.01

ATOM
526
H
ALA
284
10.073
40.837
96.948
1.00
0.00

ATOM
527
CA
ALA
284
10.402
41.553
94.983
1.00
11.82

ATOM
528
CB
ALA
284
11.085
42.782
95.643
1.00
12.76

ATOM
529
C
ALA
284
11.421
40.824
94.112
1.00
11.34

ATOM
530
O
ALA
284
11.451
40.994
92.910
1.00
12.67

ATOM
531
N
PHE
285
12.292
40.068
94.752
1.00
11.20

ATOM
532
H
PHE
285
12.230
40.005
95.726
1.00
0.00

ATOM
533
CA
PHE
285
13.324
39.315
94.027
1.00
10.80

ATOM
534
CB
PHE
285
14.185
38.521
95.038
1.00
10.15

ATOM
535
CG
PHE
285
15.303
37.735
94.414
1.00
10.28

ATOM
536
CD1
PHE
285
16.477
38.381
94.036
1.00
10.36

ATOM
537
CD2
PHE
285
15.182
36.358
94.211
1.00
10.04

ATOM
538
CE1
PHE
285
17.557
37.626
93.439
1.00
11.72

ATOM
539
CE2
PHE
285
16.240
35.612
93.622
1.00
9.70

ATOM
540
CZ
PHE
285
17.408
36.252
93.244
1.00
9.67

ATOM
541
C
PHE
285
12.667
38.349
93.011
1.00
10.63

ATOM
542
O
PHE
285
13.036
38.328
91.833
1.00
11.66

ATOM
543
N
LEU
286
11.680
37.574
93.453
1.00
9.81

ATOM
544
H
LEU
286
11.360
37.667
94.365
1.00
0.00

ATOM
545
CA
LEU
286
11.055
36.582
92.565
1.00
11.19

ATOM
546
CB
LEU
286
10.354
35.491
93.373
1.00
11.45

ATOM
547
CG
LEU
286
11.324
34.522
94.080
1.00
11.02

ATOM
548
CD1
LEU
286
10.594
33.757
95.126
1.00
12.70

ATOM
549
CD2
LEU
286
12.004
33.545
93.081
1.00
10.79

ATOM
550
C
LEU
286
10.129
37.149
91.534
1.00
11.27

ATOM
551
O
LEU
286
9.775
36.501
90.559
1.00
11.78

ATOM
552
N
ALA
287
9.690
38.381
91.767
1.00
11.65

ATOM
553
H
ALA
287
9.917
38.858
92.592
1.00
0.00

ATOM
554
CA
ALA
287
8.820
39.011
90.792
1.00
11.64

ATOM
555
CB
ALA
287
8.409
40.422
91.276
1.00
12.67

ATOM
556
C
ALA
287
9.434
39.050
89.383
1.00
10.99

ATOM
557
O
ALA
287
8.716
38.900
88.365
1.00
10.96

ATOM
558
N
GLU
288
10.765
39.146
89.327
1.00
10.68

ATOM
559
H
GLU
288
11.299
39.193
90.148
1.00
0.00

ATOM
560
CA
GLU
288
11.453
39.191
88.051
1.00
10.51

ATOM
561
CB
GLU
288
12.935
39.481
88.257
1.00
11.55

ATOM
562
CG
GLU
288
13.663
39.445
86.924
1.00
13.55

ATOM
563
CD
GLU
288
15.124
39.777
87.027
1.00
15.93

ATOM
564
OE1
GLU
288
15.689
39.843
88.151
1.00
17.97

ATOM
565
OE2
GLU
288
15.723
39.984
85.959
1.00
16.29

ATOM
566
C
GLU
288
11.309
37.847
87.345
1.00
9.59

ATOM
567
O
GLU
288
11.052
37.767
86.153
1.00
9.75

ATOM
568
N
ALA
289
11.496
36.774
88.104
1.00
9.45

ATOM
569
H
ALA
289
11.702
36.863
89.059
1.00
0.00

ATOM
570
CA
ALA
289
11.352
35.449
87.502
1.00
9.52

ATOM
571
CB
ALA
289
11.724
34.414
88.530
1.00
9.44

ATOM
572
C
ALA
289
9.905
35.216
86.997
1.00
9.32

ATOM
573
O
ALA
289
9.695
34.740
85.884
1.00
9.28

ATOM
574
N
ASN
290
8.912
35.647
87.780
1.00
11.14

ATOM
575
H
ASN
290
9.101
36.050
88.649
1.00
0.00

ATOM
576
CA
ASN
290
7.516
35.468
87.357
1.00
11.56

ATOM
577
CB
ASN
290
6.569
35.952
88.466
1.00
14.37

ATOM
578
CG
ASN
290
6.655
35.081
89.739
1.00
17.32

ATOM
579
OD1
ASN
290
7.075
33.943
89.680
1.00
19.80

ATOM
580
ND2
ASN
290
6.187
35.593
90.851
1.00
17.51

ATOM
581
HD21
ASN
290
5.786
36.481
90.850
1.00
0.00

ATOM
582
HD22
ASN
290
6.275
35.050
91.644
1.00
0.00

ATOM
583
C
ASN
290
7.251
36.199
86.033
1.00
11.86

ATOM
584
O
ASN
290
6.587
35.677
85.153
1.00
11.62

ATOM
585
N
LEU
291
7.836
37.387
85.868
1.00
11.22

ATOM
586
H
LEU
291
8.374
37.768
86.595
1.00
0.00

ATOM
587
CA
LEU
291
7.656
38.133
84.625
1.00
11.75

ATOM
588
CB
LEU
291
8.282
39.535
84.751
1.00
12.23

ATOM
589
CG
LEU
291
8.185
40.373
83.467
1.00
13.03

ATOM
590
CD1
LEU
291
7.868
41.815
83.829
1.00
15.64

ATOM
591
CD2
LEU
291
9.504
40.288
82.637
1.00
14.61

ATOM
592
C
LEU
291
8.309
37.393
83.472
1.00
11.60

ATOM
593
O
LEU
291
7.775
37.337
82.375
1.00
11.66

ATOM
594
N
MET
292
9.492
36.843
83.729
1.00
10.84

ATOM
595
H
MET
292
9.873
36.893
84.632
1.00
0.00

ATOM
596
CA
MET
292
10.214
36.128
82.669
1.00
11.69

ATOM
597
CB
MET
292
11.631
35.762
83.112
1.00
10.20

ATOM
598
CG
MET
292
12.483
37.020
83.427
1.00
10.33

ATOM
599
SD
MET
292
14.091
36.510
84.073
1.00
10.40

ATOM
600
CE
MET
292
14.866
35.881
82.607
1.00
9.86

ATOM
601
C
MET
292
9.475
34.907
82.156
1.00
12.23

ATOM
602
O
MET
292
9.647
34.562
80.981
1.00
13.03

ATOM
603
N
LYS
293
8.584
34.350
82.985
1.00
13.02

ATOM
604
H
LYS
293
8.486
34.720
83.884
1.00
0.00

ATOM
605
CA
LYS
293
7.762
33.188
82.564
1.00
15.14

ATOM
606
CB
LYS
293
6.948
32.663
83.747
1.00
14.94

ATOM
607
CG
LYS
293
7.766
32.128
84.906
1.00
15.08

ATOM
608
CD
LYS
293
6.890
31.761
86.085
1.00
17.22

ATOM
609
CE
LYS
293
7.726
31.376
87.286
1.00
18.51

ATOM
610
NZ
LYS
293
6.887
30.902
88.479
1.00
19.83

ATOM
611
HZ1
LYS
293
6.333
30.066
88.185
1.00
0.00

ATOM
612
HZ2
LYS
293
6.239
31.661
88.760
1.00
0.00

ATOM
613
HZ3
LYS
293
7.507
30.647
89.260
1.00
0.00

ATOM
614
C
LYS
293
6.829
33.606
81.421
1.00
16.53

ATOM
615
O
LYS
293
6.545
32.823
80.534
1.00
17.55

ATOM
616
N
GLN
294
6.420
34.875
81.424
1.00
18.04

ATOM
617
H
GLN
294
6.719
35.469
82.143
1.00
0.00

ATOM
618
CA
GLN
294
5.544
35.451
80.385
1.00
19.92

ATOM
619
CB
GLN
294
4.688
36.565
80.996
1.00
21.19

ATOM
620
CG
GLN
294
3.862
36.130
82.160
1.00
23.42

ATOM
621
CD
GLN
294
3.053
34.911
81.850
1.00
24.85

ATOM
622
OE1
GLN
294
2.605
34.705
80.711
1.00
27.15

ATOM
623
NE2
GLN
294
2.836
34.090
82.865
1.00
27.14

ATOM
624
HE21
GLN
294
3.177
34.317
83.740
1.00
0.00

ATOM
625
HE22
GLN
294
2.292
33.291
82.678
1.00
0.00

ATOM
626
C
GLN
294
6.235
36.049
79.174
1.00
19.86

ATOM
627
O
GLN
294
5.586
36.469
78.184
1.00
21.52

ATOM
628
N
LEU
295
7.538
36.240
79.273
1.00
17.72

ATOM
629
H
LEU
295
8.005
35.994
80.100
1.00
0.00

ATOM
630
CA
LEU
295
8.259
36.856
78.183
1.00
17.44

ATOM
631
CB
LEU
295
8.899
38.174
78.633
1.00
18.33

ATOM
632
CG
LEU
295
8.089
39.439
78.537
1.00
19.10

ATOM
633
CD1
LEU
295
8.952
40.578
79.056
1.00
17.86

ATOM
634
CD2
LEU
295
7.638
39.671
77.075
1.00
18.70

ATOM
635
C
LEU
295
9.343
35.957
77.700
1.00
16.74

ATOM
636
O
LEU
295
10.523
36.204
77.934
1.00
18.51

ATOM
637
N
GLN
296
8.954
35.007
76.874
1.00
14.87

ATOM
638
H
GLN
296
8.013
34.951
76.608
1.00
0.00

ATOM
639
CA
GLN
296
9.889
34.056
76.344
1.00
13.05

ATOM
640
CB
GLN
296
9.391
32.620
76.593
1.00
14.33

ATOM
641
CG
GLN
296
9.240
32.242
78.076
1.00
15.73

ATOM
642
CD
GLN
296
8.768
30.784
78.185
1.00
16.79

ATOM
643
OE1
GLN
296
9.296
29.906
77.494
1.00
18.93

ATOM
644
NE2
GLN
296
7.762
30.529
79.014
1.00
16.78

ATOM
645
HE21
GLN
296
7.353
31.246
79.528
1.00
0.00

ATOM
646
HE22
GLN
296
7.461
29.594
79.074
1.00
0.00

ATOM
647
C
GLN
296
10.094
34.290
74.857
1.00
11.48

ATOM
648
O
GLN
296
9.158
34.239
74.065
1.00
12.22

ATOM
649
N
HIS
297
11.349
34.490
74.452
1.00
9.21

ATOM
650
H
HIS
297
12.070
34.506
75.110
1.00
0.00

ATOM
651
CA
HIS
297
11.667
34.709
73.042
1.00
7.88

ATOM
652
CB
HIS
297
11.381
36.185
72.696
1.00
7.64

ATOM
653
CG
HIS
297
11.478
36.523
71.250
1.00
7.02

ATOM
654
CD2
HIS
297
10.499
36.614
70.288
1.00
6.74

ATOM
655
ND1
HIS
297
12.645
36.853
70.603
1.00
8.34

ATOM
656
HD1
HIS
297
13.521
36.897
71.018
1.00
0.00

ATOM
657
CE1
HIS
297
12.413
37.105
69.324
1.00
8.54

ATOM
658
NE2
HIS
297
11.101
36.960
69.130
1.00
9.52

ATOM
659
HE2
HIS
297
10.657
37.102
68.264
1.00
0.00

ATOM
660
C
HIS
297
13.175
34.449
72.851
1.00
7.79

ATOM
661
O
HIS
297
13.956
34.573
73.811
1.00
7.26

ATOM
662
N
GLN
298
13.573
34.036
71.657
1.00
7.65

ATOM
663
H
GLN
298
12.903
33.866
70.970
1.00
0.00

ATOM
664
CA
GLN
298
15.013
33.818
71.377
1.00
7.64

ATOM
665
CB
GLN
298
15.300
33.484
69.903
1.00
10.16

ATOM
666
CG
GLN
298
14.997
32.104
69.355
1.00
11.96

ATOM
667
CD
GLN
298
15.649
30.957
70.130
1.00
8.58

ATOM
668
OE1
GLN
298
14.935
30.145
70.613
1.00
8.87

ATOM
669
NE2
GLN
298
17.002
30.904
70.237
1.00
8.67

ATOM
670
HE21
GLN
298
17.535
31.617
69.798
1.00
0.00

ATOM
671
HE22
GLN
298
17.380
30.158
70.698
1.00
0.00

ATOM
672
C
GLN
298
15.925
34.990
71.685
1.00
7.38

ATOM
673
O
GLN
298
17.099
34.823
72.012
1.00
7.02

ATOM
674
N
ARG
299
15.389
36.199
71.564
1.00
5.08

ATOM
675
H
ARG
299
14.460
36.275
71.341
1.00
0.00

ATOM
676
CA
ARG
299
16.191
37.381
71.783
1.00
4.55

ATOM
677
CB
ARG
299
15.713
38.518
70.842
1.00
4.18

ATOM
678
CG
ARG
299
15.844
38.163
69.343
1.00
5.31

ATOM
679
CD
ARG
299
17.190
38.627
68.732
1.00
5.70

ATOM
680
NE
ARG
299
18.367
38.057
69.401
1.00
4.85

ATOM
681
HE
ARG
299
18.907
38.669
69.940
1.00
0.00

ATOM
682
CZ
ARG
299
18.762
36.772
69.325
1.00
5.72

ATOM
683
NH1
ARG
299
18.072
35.895
68.613
1.00
5.30

ATOM
684
HH11
ARG
299
17.246
36.191
68.136
1.00
0.00

ATOM
685
HH12
ARG
299
18.357
34.942
68.573
1.00
0.00

ATOM
686
NH2
ARG
299
19.887
36.428
69.941
1.00
5.26

ATOM
687
HH21
ARG
299
20.424
37.131
70.406
1.00
0.00

ATOM
688
HH22
ARG
299
20.218
35.491
69.900
1.00
0.00

ATOM
689
C
ARG
299
16.170
37.909
73.213
1.00
3.99

ATOM
690
O
ARG
299
16.721
38.978
73.459
1.00
4.46

ATOM
691
N
LEU
300
15.570
37.189
74.152
1.00
3.70

ATOM
692
H
LEU
300
15.123
36.350
73.885
1.00
0.00

ATOM
693
CA
LEU
300
15.532
37.609
75.547
1.00
2.76

ATOM
694
CB
LEU
300
14.065
37.745
75.990
1.00
4.76

ATOM
695
CG
LEU
300
13.374
39.107
75.659
1.00
4.91

ATOM
696
CD1
LEU
300
13.310
39.464
74.206
1.00
5.95

ATOM
697
CD2
LEU
300
11.966
39.016
76.303
1.00
6.21

ATOM
698
C
LEU
300
16.165
36.473
76.369
1.00
4.75

ATOM
699
O
LEU
300
15.872
35.298
76.102
1.00
4.95

ATOM
700
N
VAL
301
16.977
36.818
77.352
1.00
4.59

ATOM
701
H
VAL
301
17.165
37.766
77.515
1.00
0.00

ATOM
702
CA
VAL
301
17.610
35.808
78.204
1.00
5.27

ATOM
703
CB
VAL
301
18.486
36.503
79.257
1.00
6.48

ATOM
704
CG1
VAL
301
18.941
35.466
80.295
1.00
9.38

ATOM
705
CG2
VAL
301
19.709
37.060
78.572
1.00
7.92

ATOM
706
C
VAL
301
16.469
34.980
78.818
1.00
5.74

ATOM
707
O
VAL
301
15.562
35.524
79.433
1.00
6.67

ATOM
708
N
ARG
302
16.551
33.666
78.661
1.00
4.72

ATOM
709
H
ARG
302
17.335
33.285
78.214
1.00
0.00

ATOM
710
CA
ARG
302
15.474
32.770
79.103
1.00
5.24

ATOM
711
CB
ARG
302
15.495
31.536
78.171
1.00
6.58

ATOM
712
CG
ARG
302
14.401
30.467
78.475
1.00
8.38

ATOM
713
CD
ARG
302
14.573
29.236
77.581
1.00
13.26

ATOM
714
NE
ARG
302
13.573
28.193
77.840
1.00
17.18

ATOM
715
HE
ARG
302
12.760
28.179
77.302
1.00
0.00

ATOM
716
CZ
ARG
302
13.720
27.260
78.785
1.00
18.72

ATOM
717
NH1
ARG
302
14.804
27.265
79.575
1.00
18.61

ATOM
718
HH11
ARG
302
15.491
27.975
79.465
1.00
0.00

ATOM
719
HH12
ARG
302
14.899
26.571
80.282
1.00
0.00

ATOM
720
NH2
ARG
302
12.828
26.268
78.880
1.00
20.90

ATOM
721
HH21
ARG
302
12.071
26.223
78.242
1.00
0.00

ATOM
722
HH22
ARG
302
12.944
25.566
79.586
1.00
0.00

ATOM
723
C
ARG
302
15.565
32.306
80.554
1.00
4.86

ATOM
724
O
ARG
302
16.632
31.867
81.009
1.00
5.51

ATOM
725
N
LEU
303
14.441
32.352
81.265
1.00
4.43

ATOM
726
H
LEU
303
13.645
32.794
80.920
1.00
0.00

ATOM
727
CA
LEU
303
14.409
31.771
82.615
1.00
5.26

ATOM
728
CB
LEU
303
13.068
32.048
83.282
1.00
5.82

ATOM
729
CG
LEU
303
12.908
31.501
84.712
1.00
6.58

ATOM
730
CD1
LEU
303
13.851
32.214
85.738
1.00
6.78

ATOM
731
CD2
LEU
303
11.436
31.724
85.122
1.00
7.19

ATOM
732
C
LEU
303
14.513
30.233
82.472
1.00
7.27

ATOM
733
O
LEU
303
13.777
29.602
81.666
1.00
8.97

ATOM
734
N
TYR
304
15.381
29.645
83.287
1.00
7.38

ATOM
735
H
TYR
304
15.846
30.185
83.941
1.00
0.00

ATOM
736
CA
TYR
304
15.628
28.207
83.279
1.00
9.20

ATOM
737
CB
TYR
304
17.137
28.013
83.439
1.00
12.10

ATOM
738
CG
TYR
304
17.668
26.670
83.106
1.00
16.90

ATOM
739
CD1
TYR
304
17.486
25.595
83.981
1.00
18.59

ATOM
740
CE1
TYR
304
17.901
24.310
83.645
1.00
19.46

ATOM
741
CD2
TYR
304
18.291
26.442
81.891
1.00
17.15

ATOM
742
CE2
TYR
304
18.692
25.155
81.538
1.00
18.38

ATOM
743
CZ
TYR
304
18.485
24.105
82.417
1.00
19.88

ATOM
744
OH
TYR
304
18.825
22.837
82.035
1.00
20.68

ATOM
745
HH
TYR
304
19.174
22.852
81.144
1.00
0.00

ATOM
746
C
TYR
304
14.886
27.530
84.432
1.00
8.76

ATOM
747
O
TYR
304
14.244
26.497
84.245
1.00
10.19

ATOM
748
N
ALA
305
15.007
28.085
85.626
1.00
7.54

ATOM
749
H
ALA
305
15.518
28.913
85.713
1.00
0.00

ATOM
750
CA
ALA
305
14.432
27.492
86.836
1.00
7.28

ATOM
751
CB
ALA
305
15.277
26.210
87.229
1.00
7.36

ATOM
752
C
ALA
305
14.479
28.472
88.005
1.00
7.58

ATOM
753
O
ALA
305
15.133
29.507
87.920
1.00
7.76

ATOM
754
N
VAL
306
13.877
28.072
89.125
0.75
6.33

ATOM
755
H
VAL
306
13.386
27.221
89.127
1.00
0.00

ATOM
756
CA
VAL
306
13.908
28.858
90.345
0.75
6.60

ATOM
757
CB
VAL
306
12.613
29.756
90.564
0.75
7.65

ATOM
758
CG1
VAL
306
12.500
30.825
89.493
0.75
8.43

ATOM
759
CG2
VAL
306
11.329
28.906
90.578
0.75
8.63

ATOM
760
C
VAL
306
13.983
27.880
91.509
0.75
7.64

ATOM
761
O
VAL
306
13.627
26.699
91.337
0.75
6.81

ATOM
762
N
VAL
307
14.564
28.341
92.605
1.00
9.85

ATOM
763
H
VAL
307
14.951
29.233
92.585
1.00
0.00

ATOM
764
CA
VAL
307
14.620
27.575
93.860
1.00
11.28

ATOM
765
CB
VAL
307
16.043
27.209
94.300
1.00
11.93

ATOM
766
CG1
VAL
307
16.011
26.526
95.654
1.00
12.96

ATOM
767
CG2
VAL
307
16.650
26.243
93.283
1.00
11.76

ATOM
768
C
VAL
307
14.013
28.581
94.817
1.00
13.39

ATOM
769
O
VAL
307
14.649
29.603
95.136
1.00
12.71

ATOM
770
N
THR
308
12.790
28.294
95.284
1.00
15.11

ATOM
771
H
THR
308
12.360
27.452
95.070
1.00
0.00

ATOM
772
CA
THR
308
12.107
29.269
96.140
1.00
18.31

ATOM
773
CB
THR
308
10.638
29.453
95.709
1.00
19.28

ATOM
774
OG1
THR
308
9.966
28.193
95.726
1.00
19.76

ATOM
775
HG1
THR
308
9.056
28.301
95.466
1.00
0.00

ATOM
776
CG2
THR
308
10.559
30.056
94.312
1.00
20.08

ATOM
777
C
THR
308
12.246
29.193
97.661
1.00
20.02

ATOM
778
O
THR
308
11.514
29.872
98.398
1.00
21.39

ATOM
779
N
ALA
309
13.143
28.337
98.137
1.00
21.32

ATOM
780
H
ALA
309
13.617
27.761
97.503
1.00
0.00

ATOM
781
CA
ALA
309
13.454
28.233
99.561
1.00
20.86

ATOM
782
CB
ALA
309
13.646
26.766
99.968
1.00
21.75

ATOM
783
C
ALA
309
14.754
29.016
99.768
1.00
21.92

ATOM
784
O
ALA
309
15.649
28.989
98.908
1.00
21.32

ATOM
785
N
GLU
310
14.873
29.734
100.883
1.00
21.30

ATOM
786
H
GLU
310
14.137
29.741
101.543
1.00
0.00

ATOM
787
CA
GLU
310
16.090
30.529
101.126
1.00
22.49

ATOM
788
CB
GLU
310
15.886
31.446
102.349
1.00
23.46

ATOM
789
CG
GLU
310
14.771
32.487
102.104
1.00
25.11

ATOM
790
CD
GLU
310
14.451
33.374
103.292
1.00
26.08

ATOM
791
OE1
GLU
310
14.946
33.092
104.411
1.00
27.45

ATOM
792
OE2
GLU
310
13.643
34.314
103.123
1.00
27.13

ATOM
793
C
GLU
310
17.389
29.683
101.245
1.00
22.09

ATOM
794
O
GLU
310
17.390
28.618
101.859
1.00
23.35

ATOM
795
N
PRO
311
18.495
30.125
100.602
1.00
20.88

ATOM
796
CD
PRO
311
19.781
29.396
100.672
1.00
20.86

ATOM
797
CA
PRO
311
18.626
31.337
99.782
1.00
20.02

ATOM
798
CB
PRO
311
20.140
31.514
99.653
1.00
20.24

ATOM
799
CG
PRO
311
20.638
30.083
99.618
1.00
21.06

ATOM
800
C
PRO
311
17.991
31.101
98.417
1.00
18.54

ATOM
801
O
PRO
311
18.334
30.173
97.705
1.00
18.90

ATOM
802
N
ILE
312
17.156
32.032
98.027
1.00
15.99

ATOM
803
H
ILE
312
17.013
32.821
98.586
1.00
0.00

ATOM
804
CA
ILE
312
16.428
31.941
96.785
1.00
14.13

ATOM
805
CB
ILE
312
15.357
33.048
96.802
1.00
15.35

ATOM
806
CG2
ILE
312
14.599
33.109
95.489
1.00
15.68

ATOM
807
CG1
ILE
312
14.445
32.807
98.025
1.00
17.79

ATOM
808
CD1
ILE
312
13.416
33.839
98.227
1.00
19.19

ATOM
809
C
ILE
312
17.317
32.084
95.575
1.00
11.69

ATOM
810
O
ILE
312
18.233
32.918
95.556
1.00
11.84

ATOM
811
N
TYR
313
17.095
31.223
94.585
1.00
9.45

ATOM
812
H
TYR
313
16.400
30.545
94.679
1.00
0.00

ATOM
813
CA
TYR
313
17.861
31.336
93.345
1.00
8.37

ATOM
814
CB
TYR
313
18.624
30.041
93.016
1.00
8.55

ATOM
815
CG
TYR
313
19.756
29.586
93.920
1.00
12.63

ATOM
816
CD1
TYR
313
20.370
30.425
94.826
1.00
12.91

ATOM
817
CE1
TYR
313
21.426
29.985
95.632
1.00
14.23

ATOM
818
CD2
TYR
313
20.223
28.273
93.828
1.00
14.27

ATOM
819
CE2
TYR
313
21.280
27.829
94.626
1.00
14.90

ATOM
820
CZ
TYR
313
21.870
28.689
95.520
1.00
15.27

ATOM
821
OH
TYR
313
22.910
28.240
96.314
1.00
17.23

ATOM
822
HH
TYR
313
23.083
27.319
96.125
1.00
0.00

ATOM
823
C
TYR
313
16.971
31.540
92.137
1.00
7.36

ATOM
824
O
TYR
313
15.893
30.996
92.046
1.00
7.60

ATOM
825
N
ILE
314
17.457
32.334
91.189
0.82
5.30

ATOM
826
H
ILE
314
18.265
32.853
91.366
1.00
0.00

ATOM
827
CA
ILE
314
16.818
32.465
89.871
0.82
5.28

ATOM
828
CB
ILE
314
16.487
33.917
89.505
0.82
3.82

ATOM
829
CG2
ILE
314
16.118
34.031
88.022
0.82
5.97

ATOM
830
CG1
ILE
314
15.353
34.373
90.376
0.82
6.17

ATOM
831
CD1
ILE
314
15.075
35.885
90.228
0.82
6.59

ATOM
832
C
ILE
314
17.912
31.956
88.901
0.82
5.34

ATOM
833
O
ILE
314
19.054
32.440
88.919
0.82
6.05

ATOM
834
N
ILE
315
17.590
30.941
88.112
1.00
4.96

ATOM
835
H
ILE
315
16.681
30.583
88.145
1.00
0.00

ATOM
836
CA
ILE
315
18.555
30.342
87.177
1.00
5.21

ATOM
837
CB
ILE
315
18.584
28.786
87.389
1.00
6.45

ATOM
838
CG2
ILE
315
19.648
28.161
86.489
1.00
6.91

ATOM
839
CG1
ILE
315
18.938
28.480
88.858
1.00
7.39

ATOM
840
CD1
ILE
315
17.755
28.248
89.842
1.00
8.45

ATOM
841
C
ILE
315
18.159
30.700
85.767
1.00
5.40

ATOM
842
O
ILE
315
16.995
30.576
85.409
1.00
4.96

ATOM
843
N
THR
316
19.129
31.176
84.970
1.00
5.62

ATOM
844
H
THR
316
20.044
31.248
85.291
1.00
0.00

ATOM
845
CA
THR
316
18.824
31.575
83.615
1.00
5.76

ATOM
846
CB
THR
316
18.829
33.131
83.474
1.00
8.03

ATOM
847
OG1
THR
316
20.137
33.649
83.793
1.00
9.42

ATOM
848
HG1
THR
316
20.126
34.596
83.708
1.00
0.00

ATOM
849
CG2
THR
316
17.897
33.731
84.491
1.00
7.19

ATOM
850
C
THR
316
19.792
31.052
82.580
1.00
5.99

ATOM
851
O
THR
316
20.860
30.501
82.906
1.00
5.90

ATOM
852
N
GLU
317
19.445
31.314
81.342
1.00
5.22

ATOM
853
H
GLU
317
18.592
31.745
81.162
1.00
0.00

ATOM
854
CA
GLU
317
20.295
30.965
80.189
1.00
5.30

ATOM
855
CB
GLU
317
19.618
31.546
78.960
1.00
5.70

ATOM
856
CG
GLU
317
20.307
31.327
77.643
1.00
6.11

ATOM
857
CD
GLU
317
19.459
31.830
76.475
1.00
6.55

ATOM
858
OE1
GLU
317
18.499
32.609
76.703
1.00
6.40

ATOM
859
OE2
GLU
317
19.715
31.435
75.323
1.00
7.06

ATOM
860
C
GLU
317
21.690
31.631
80.355
1.00
7.29

ATOM
861
O
GLU
317
21.794
32.837
80.668
1.00
8.69

ATOM
862
N
TYR
318
22.754
30.866
80.133
1.00
6.02

ATOM
863
H
TYR
318
22.648
29.938
79.891
1.00
0.00

ATOM
864
CA
TYR
318
24.114
31.411
80.272
1.00
5.54

ATOM
865
CB
TYR
318
25.078
30.268
80.623
1.00
6.33

ATOM
866
CG
TYR
318
26.452
30.764
81.010
1.00
7.47

ATOM
867
CD1
TYR
318
26.643
31.354
82.258
1.00
10.12

ATOM
868
CE1
TYR
318
27.862
31.866
82.636
1.00
13.41

ATOM
869
CD2
TYR
318
27.509
30.672
80.143
1.00
9.46

ATOM
870
CE2
TYR
318
28.766
31.208
80.518
1.00
11.26

ATOM
871
CZ
TYR
318
28.909
31.787
81.756
1.00
12.20

ATOM
872
OH
TYR
318
30.143
32.302
82.179
1.00
16.24

ATOM
873
HH
TYR
318
30.059
32.690
83.047
1.00
0.00

ATOM
874
C
TYR
318
24.554
32.041
78.950
1.00
5.01

ATOM
875
O
TYR
318
24.367
31.482
77.835
1.00
5.85

ATOM
876
N
MET
319
25.165
33.233
79.080
1.00
5.48

ATOM
877
H
MET
319
25.292
33.625
79.961
1.00
0.00

ATOM
878
CA
MET
319
25.612
33.975
77.904
1.00
5.51

ATOM
879
CB
MET
319
24.888
35.332
77.889
1.00
6.85

ATOM
880
CG
MET
319
23.344
35.195
77.705
1.00
8.12

ATOM
881
SD
MET
319
22.849
34.471
76.173
1.00
11.98

ATOM
882
CE
MET
319
23.062
35.837
75.041
1.00
9.53

ATOM
883
C
MET
319
27.129
34.107
78.064
1.00
5.87

ATOM
884
O
MET
319
27.615
34.858
78.897
1.00
7.09

ATOM
885
N
GLU
320
27.858
33.407
77.216
1.00
6.56

ATOM
886
H
GLU
320
27.431
32.956
76.453
1.00
0.00

ATOM
887
CA
GLU
320
29.299
33.269
77.406
1.00
7.66

ATOM
888
CB
GLU
320
29.898
32.327
76.362
1.00
10.83

ATOM
889
CG
GLU
320
31.367
31.957
76.669
1.00
16.03

ATOM
890
CD
GLU
320
31.475
31.047
77.891
1.00
19.05

ATOM
891
OE1
GLU
320
30.758
30.025
77.939
1.00
22.54

ATOM
892
OE2
GLU
320
32.235
31.369
78.834
1.00
23.91

ATOM
893
C
GLU
320
30.115
34.513
77.416
1.00
7.80

ATOM
894
O
GLU
320
31.104
34.568
78.145
1.00
9.31

ATOM
895
N
ASN
321
29.705
35.490
76.621
1.00
6.37

ATOM
896
H
ASN
321
28.871
35.388
76.113
1.00
0.00

ATOM
897
CA
ASN
321
30.480
36.722
76.512
1.00
6.88

ATOM
898
CB
ASN
321
30.615
37.140
75.058
1.00
6.80

ATOM
899
CG
ASN
321
31.689
36.332
74.348
1.00
8.90

ATOM
900
OD1
ASN
321
32.864
36.282
74.820
1.00
9.89

ATOM
901
ND2
ASN
321
31.354
35.755
73.224
1.00
9.37

ATOM
902
HD21
ASN
321
30.446
35.848
72.879
1.00
0.00

ATOM
903
HD22
ASN
321
32.049
35.235
72.766
1.00
0.00

ATOM
904
C
ASN
321
30.011
37.837
77.428
1.00
6.75

ATOM
905
O
ASN
321
30.506
38.975
77.292
1.00
8.29

ATOM
906
N
GLY
322
29.095
37.528
78.344
1.00
5.34

ATOM
907
H
GLY
322
28.692
36.642
78.339
1.00
0.00

ATOM
908
CA
GLY
322
28.722
38.495
79.367
1.00
5.22

ATOM
909
C
GLY
322
28.008
39.730
78.849
1.00
4.77

ATOM
910
O
GLY
322
27.372
39.690
77.799
1.00
6.29

ATOM
911
N
SER
323
28.143
40.835
79.574
0.43
2.00

ATOM
912
H
SER
323
28.719
40.843
80.360
1.00
0.00

ATOM
913
CA
SER
323
27.423
42.054
79.182
0.43
2.00

ATOM
914
CB
SER
323
27.333
43.044
80.361
0.43
2.00

ATOM
915
OG
SER
323
26.946
42.392
81.552
0.43
6.27

ATOM
916
HG
SER
323
27.645
41.822
81.868
1.00
0.00

ATOM
917
C
SER
323
28.091
42.710
77.994
0.43
2.00

ATOM
918
O
SER
323
29.304
42.734
77.877
0.43
2.00

ATOM
919
N
LEU
324
27.267
43.285
77.135
1.00
3.87

ATOM
920
H
LEU
324
26.301
43.285
77.318
1.00
0.00

ATOM
921
CA
LEU
324
27.726
43.918
75.930
1.00
4.10

ATOM
922
CB
LEU
324
26.494
44.494
75.178
1.00
4.53

ATOM
923
CG
LEU
324
26.823
45.237
73.867
1.00
4.60

ATOM
924
CD1
LEU
324
27.447
44.359
72.828
1.00
5.61

ATOM
925
CD2
LEU
324
25.467
45.865
73.307
1.00
6.42

ATOM
926
C
LEU
324
28.697
45.076
76.272
1.00
5.16

ATOM
927
O
LEU
324
29.666
45.282
75.511
1.00
5.89

ATOM
928
N
VAL
325
28.386
45.855
77.306
1.00
6.46

ATOM
929
H
VAL
325
27.573
45.668
77.824
1.00
0.00

ATOM
930
CA
VAL
325
29.240
47.000
77.669
1.00
8.87

ATOM
931
CB
VAL
325
28.594
47.840
78.795
1.00
8.19

ATOM
932
CG1
VAL
325
28.717
47.195
80.138
1.00
8.51

ATOM
933
CG2
VAL
325
29.247
49.268
78.848
1.00
11.08

ATOM
934
C
VAL
325
30.653
46.530
77.989
1.00
9.20

ATOM
935
O
VAL
325
31.614
47.255
77.670
1.00
11.08

ATOM
936
N
ASP
326
30.798
45.323
78.552
1.00
8.70

ATOM
937
H
ASP
326
30.003
44.804
78.767
1.00
0.00

ATOM
938
CA
ASP
326
32.125
44.776
78.853
1.00
8.66

ATOM
939
CB
ASP
326
32.033
43.765
79.992
1.00
11.02

ATOM
940
CG
ASP
326
31.631
44.377
81.309
1.00
14.01

ATOM
941
OD1
ASP
326
32.006
45.532
81.614
1.00
15.85

ATOM
942
OD2
ASP
326
30.940
43.688
82.095
1.00
16.51

ATOM
943
C
ASP
326
32.740
44.091
77.626
1.00
7.60

ATOM
944
O
ASP
326
33.933
44.221
77.324
1.00
8.08

ATOM
945
N
PHE
327
31.911
43.400
76.853
1.00
5.80

ATOM
946
H
PHE
327
30.967
43.364
77.068
1.00
0.00

ATOM
947
CA
PHE
327
32.412
42.674
75.693
1.00
4.85

ATOM
948
CB
PHE
327
31.272
41.827
75.089
1.00
4.73

ATOM
949
CG
PHE
327
31.670
41.144
73.836
1.00
7.13

ATOM
950
CD1
PHE
327
32.580
40.068
73.870
1.00
6.58

ATOM
951
CD2
PHE
327
31.242
41.615
72.603
1.00
6.43

ATOM
952
CE1
PHE
327
33.025
39.514
72.679
1.00
8.02

ATOM
953
CE2
PHE
327
31.691
41.057
71.426
1.00
8.54

ATOM
954
CZ
PHE
327
32.602
39.986
71.473
1.00
9.43

ATOM
955
C
PHE
327
33.044
43.581
74.630
1.00
4.40

ATOM
956
O
PHE
327
34.078
43.278
74.031
1.00
5.80

ATOM
957
N
LEU
328
32.413
44.736
74.421
0.40
2.00

ATOM
958
H
LEU
328
31.613
44.967
74.941
1.00
0.00

ATOM
959
CA
LEU
328
32.891
45.667
73.412
0.40
2.00

ATOM
960
CB
LEU
328
31.909
46.819
73.264
0.40
2.00

ATOM
961
CG
LEU
328
30.604
46.413
72.573
0.40
2.00

ATOM
962
CD1
LEU
328
29.676
47.610
72.679
0.40
4.11

ATOM
963
CD2
LEU
328
30.861
46.004
71.134
0.40
3.16

ATOM
964
C
LEU
328
34.267
46.218
73.721
0.40
2.00

ATOM
965
O
LEU
328
34.888
46.790
72.832
0.40
2.00

ATOM
966
N
LYS
329
34.707
46.049
74.966
1.00
6.15

ATOM
967
H
LYS
329
34.127
45.597
75.611
1.00
0.00

ATOM
968
CA
LYS
329
36.042
46.538
75.410
1.00
7.57

ATOM
969
CB
LYS
329
35.972
47.085
76.825
1.00
9.39

ATOM
970
CG
LYS
329
35.055
48.293
76.956
1.00
10.53

ATOM
971
CD
LYS
329
35.034
48.771
78.369
1.00
12.08

ATOM
972
CE
LYS
329
33.924
49.783
78.604
1.00
14.72

ATOM
973
NZ
LYS
329
33.813
50.022
80.065
1.00
17.45

ATOM
974
HZ1
LYS
329
34.725
50.386
80.430
1.00
0.00

ATOM
975
HZ2
LYS
329
33.609
49.124
80.554
1.00
0.00

ATOM
976
HZ3
LYS
329
33.073
50.696
80.273
1.00
0.00

ATOM
977
C
LYS
329
37.121
45.460
75.332
1.00
9.59

ATOM
978
O
LYS
329
38.304
45.760
75.515
1.00
12.01

ATOM
979
N
THR
330
36.727
44.203
75.186
1.00
8.85

ATOM
980
H
THR
330
35.777
43.995
75.152
1.00
0.00

ATOM
981
CA
THR
330
37.733
43.124
75.084
1.00
9.09

ATOM
982
CB
THR
330
37.013
41.756
75.236
1.00
8.50

ATOM
983
OG1
THR
330
36.187
41.541
74.094
1.00
9.34

ATOM
984
HG1
THR
330
35.742
40.698
74.178
1.00
0.00

ATOM
985
CG2
THR
330
36.275
41.705
76.534
1.00
10.85

ATOM
986
C
THR
330
38.400
43.168
73.699
1.00
8.83

ATOM
987
O
THR
330
37.948
43.804
72.771
1.00
8.36

ATOM
988
N
PRO
331
39.528
42.451
73.511
1.00
9.77

ATOM
989
CD
PRO
331
40.331
41.767
74.521
1.00
9.22

ATOM
990
CA
PRO
331
40.169
42.453
72.195
1.00
10.20

ATOM
991
CB
PRO
331
41.304
41.427
72.382
1.00
9.14

ATOM
992
CG
PRO
331
41.688
41.634
73.771
1.00
8.46

ATOM
993
C
PRO
331
39.251
42.048
71.037
1.00
11.30

ATOM
994
O
PRO
331
39.314
42.623
69.952
1.00
12.41

ATOM
995
N
SER
332
38.424
41.026
71.272
1.00
11.84

ATOM
996
H
SER
332
38.455
40.584
72.144
1.00
0.00

ATOM
997
CA
SER
332
37.483
40.542
70.269
1.00
13.69

ATOM
998
CB
SER
332
36.732
39.300
70.805
1.00
15.15

ATOM
999
OG
SER
332
37.613
38.194
70.960
1.00
19.85

ATOM
1000
HG
SER
332
37.137
37.436
71.296
1.00
0.00

ATOM
1001
C
SER
332
36.462
41.632
69.986
1.00
13.44

ATOM
1002
O
SER
332
36.191
41.946
68.825
1.00
14.86

ATOM
1003
N
GLY
333
35.990
42.268
71.047
1.00
11.92

ATOM
1004
H
GLY
333
36.314
42.035
71.940
1.00
0.00

ATOM
1005
CA
GLY
333
34.997
43.333
70.888
1.00
11.53

ATOM
1006
C
GLY
333
35.575
44.519
70.120
1.00
11.96

ATOM
1007
O
GLY
333
34.911
45.094
69.240
1.00
11.03

ATOM
1008
N
ILE
334
36.797
44.903
70.471
1.00
11.99

ATOM
1009
H
ILE
334
37.279
44.425
71.166
1.00
0.00

ATOM
1010
CA
ILE
334
37.443
46.025
69.790
1.00
13.87

ATOM
1011
CB
ILE
334
38.796
46.304
70.469
1.00
13.07

ATOM
1012
CG2
ILE
334
39.668
47.275
69.591
1.00
13.30

ATOM
1013
CG1
ILE
334
38.540
46.807
71.885
1.00
13.93

ATOM
1014
CD1
ILE
334
39.823
46.948
72.735
1.00
16.85

ATOM
1015
C
ILE
334
37.616
45.791
68.283
1.00
14.82

ATOM
1016
O
ILE
334
37.479
46.715
67.484
1.00
16.68

ATOM
1017
N
LYS
335
37.793
44.551
67.856
1.00
14.68

ATOM
1018
H
LYS
335
37.797
43.806
68.481
1.00
0.00

ATOM
1019
CA
LYS
335
37.985
44.319
66.427
1.00
15.73

ATOM
1020
CB
LYS
335
38.809
43.057
66.222
1.00
17.96

ATOM
1021
CG
LYS
335
40.132
43.083
66.978
1.00
20.04

ATOM
1022
CD
LYS
335
40.829
41.736
66.884
1.00
22.10

ATOM
1023
CE
LYS
335
42.093
41.738
67.703
1.00
24.01

ATOM
1024
NZ
LYS
335
42.309
40.417
68.327
1.00
24.11

ATOM
1025
HZ1
LYS
335
42.361
39.679
67.590
1.00
0.00

ATOM
1026
HZ2
LYS
335
41.507
40.217
68.952
1.00
0.00

ATOM
1027
HZ3
LYS
335
43.165
40.435
68.859
1.00
0.00

ATOM
1028
C
LYS
335
36.698
44.249
65.595
1.00
15.48

ATOM
1029
O
LYS
335
36.747
44.062
64.372
1.00
15.26

ATOM
1030
N
LEU
336
35.541
44.409
66.242
1.00
14.77

ATOM
1031
H
LEU
336
35.513
44.579
67.208
1.00
0.00

ATOM
1032
CA
LEU
336
34.296
44.313
65.460
1.00
13.70

ATOM
1033
CB
LEU
336
33.082
44.291
66.380
1.00
14.27

ATOM
1034
CG
LEU
336
33.028
43.099
67.363
1.00
15.32

ATOM
1035
CD1
LEU
336
31.767
43.228
68.222
1.00
15.81

ATOM
1036
CD2
LEU
336
33.067
41.753
66.636
1.00
16.91

ATOM
1037
C
LEU
336
34.122
45.410
64.448
1.00
13.32

ATOM
1038
O
LEU
336
34.392
46.582
64.763
1.00
15.25

ATOM
1039
N
THR
337
33.599
45.033
63.280
1.00
12.95

ATOM
1040
H
THR
337
33.359
44.105
63.153
1.00
0.00

ATOM
1041
CA
THR
337
33.353
45.967
62.202
1.00
11.61

ATOM
1042
CB
THR
337
33.161
45.237
60.836
1.00
11.98

ATOM
1043
OG1
THR
337
32.050
44.309
60.907
1.00
12.22

ATOM
1044
HG1
THR
337
31.248
44.779
61.143
1.00
0.00

ATOM
1045
CG2
THR
337
34.450
44.424
60.453
1.00
13.51

ATOM
1046
C
THR
337
32.064
46.729
62.483
1.00
10.80

ATOM
1047
O
THR
337
31.255
46.279
63.309
1.00
9.51

ATOM
1048
N
ILE
338
31.890
47.892
61.843
1.00
9.90

ATOM
1049
H
ILE
338
32.595
48.249
61.262
1.00
0.00

ATOM
1050
CA
ILE
338
30.642
48.642
62.011
1.00
9.68

ATOM
1051
CB
ILE
338
30.677
50.012
61.253
1.00
10.93

ATOM
1052
CG2
ILE
338
30.808
49.794
59.770
1.00
12.49

ATOM
1053
CG1
ILE
338
29.417
50.842
61.559
1.00
12.18

ATOM
1054
CD1
ILE
338
29.136
51.150
63.028
1.00
11.90

ATOM
1055
C
ILE
338
29.464
47.740
61.567
1.00
9.09

ATOM
1056
O
ILE
338
28.409
47.791
62.162
1.00
9.09

ATOM
1057
N
ASN
339
29.659
46.905
60.551
1.00
8.89

ATOM
1058
H
ASN
339
30.527
46.858
60.092
1.00
0.00

ATOM
1059
CA
ASN
339
28.595
46.012
60.093
1.00
10.04

ATOM
1060
CB
ASN
339
29.121
45.182
58.914
1.00
14.13

ATOM
1061
CG
ASN
339
28.369
43.872
58.706
1.00
19.41

ATOM
1062
OD1
ASN
339
27.830
43.641
57.641
1.00
24.95

ATOM
1063
ND2
ASN
339
28.340
43.013
59.728
1.00
24.26

ATOM
1064
HD21
ASN
339
28.774
43.262
60.586
1.00
0.00

ATOM
1065
HD22
ASN
339
27.885
42.176
59.646
1.00
0.00

ATOM
1066
C
ASN
339
28.169
45.097
61.245
1.00
8.87

ATOM
1067
O
ASN
339
26.975
44.847
61.433
1.00
7.55

ATOM
1068
N
LYS
340
29.133
44.511
61.967
1.00
7.56

ATOM
1069
H
LYS
340
30.077
44.690
61.773
1.00
0.00

ATOM
1070
CA
LYS
340
28.726
43.588
63.029
1.00
6.70

ATOM
1071
CB
LYS
340
29.915
42.776
63.573
1.00
5.88

ATOM
1072
CG
LYS
340
29.586
41.835
64.698
1.00
6.19

ATOM
1073
CD
LYS
340
28.473
40.804
64.263
1.00
6.70

ATOM
1074
CE
LYS
340
28.199
39.920
65.468
1.00
7.59

ATOM
1075
NZ
LYS
340
27.010
38.984
65.151
1.00
9.23

ATOM
1076
HZ1
LYS
340
27.244
38.385
64.353
1.00
0.00

ATOM
1077
HZ2
LYS
340
26.167
39.561
64.935
1.00
0.00

ATOM
1078
HZ3
LYS
340
26.803
38.402
65.992
1.00
0.00

ATOM
1079
C
LYS
340
28.046
44.352
64.150
1.00
6.91

ATOM
1080
O
LYS
340
27.097
43.838
64.795
1.00
7.61

ATOM
1081
N
LEU
341
28.526
45.576
64.420
1.00
5.67

ATOM
1082
H
LEU
341
29.266
45.945
63.925
1.00
0.00

ATOM
1083
CA
LEU
341
27.903
46.378
65.460
1.00
5.04

ATOM
1084
CB
LEU
341
28.692
47.686
65.712
1.00
6.51

ATOM
1085
CG
LEU
341
30.121
47.465
66.221
1.00
7.32

ATOM
1086
CD1
LEU
341
30.775
48.870
66.357
1.00
8.50

ATOM
1087
CD2
LEU
341
30.140
46.820
67.570
1.00
8.70

ATOM
1088
C
LEU
341
26.437
46.699
65.075
1.00
4.38

ATOM
1089
O
LEU
341
25.582
46.706
65.945
1.00
5.27

ATOM
1090
N
LEU
342
26.176
46.960
63.798
1.00
5.97

ATOM
1091
H
LEU
342
26.913
46.945
63.154
1.00
0.00

ATOM
1092
CA
LEU
342
24.816
47.279
63.312
1.00
4.84

ATOM
1093
CB
LEU
342
24.850
47.754
61.845
1.00
6.19

ATOM
1094
CG
LEU
342
25.448
49.182
61.674
1.00
8.40

ATOM
1095
CD1
LEU
342
25.731
49.410
60.184
1.00
9.05

ATOM
1096
CD2
LEU
342
24.536
50.273
62.284
1.00
10.59

ATOM
1097
C
LEU
342
23.957
46.020
63.435
1.00
6.56

ATOM
1098
O
LEU
342
22.808
46.088
63.844
1.00
6.05

ATOM
1099
N
ASP
343
24.562
44.872
63.129
1.00
6.36

ATOM
1100
H
ASP
343
25.477
44.873
62.804
1.00
0.00

ATOM
1101
CA
ASP
343
23.846
43.589
63.289
1.00
6.77

ATOM
1102
CB
ASP
343
24.814
42.473
62.870
1.00
5.62

ATOM
1103
CG
ASP
343
24.355
41.091
63.252
1.00
7.43

ATOM
1104
OD1
ASP
343
23.150
40.853
63.435
1.00
8.26

ATOM
1105
OD2
ASP
343
25.262
40.231
63.270
1.00
9.00

ATOM
1106
C
ASP
343
23.417
43.439
64.747
1.00
5.67

ATOM
1107
O
ASP
343
22.232
43.177
65.021
1.00
6.41

ATOM
1108
N
MET
344
24.343
43.555
65.699
1.00
5.54

ATOM
1109
H
MET
344
25.277
43.704
65.454
1.00
0.00

ATOM
1110
CA
MET
344
24.003
43.452
67.114
1.00
6.12

ATOM
1111
CB
MET
344
25.242
43.644
67.977
1.00
8.61

ATOM
1112
CG
MET
344
26.221
42.513
67.682
1.00
9.80

ATOM
1113
SD
MET
344
27.833
42.796
68.536
1.00
17.00

ATOM
1114
CE
MET
344
27.976
41.510
69.671
1.00
16.18

ATOM
1115
C
MET
344
22.911
44.461
67.503
1.00
5.89

ATOM
1116
O
MET
344
22.029
44.124
68.265
1.00
5.58

ATOM
1117
N
ALA
345
23.003
45.696
66.990
1.00
4.96

ATOM
1118
H
ALA
345
23.774
45.923
66.423
1.00
0.00

ATOM
1119
CA
ALA
345
21.995
46.729
67.266
1.00
4.58

ATOM
1120
CB
ALA
345
22.376
48.034
66.577
1.00
5.20

ATOM
1121
C
ALA
345
20.603
46.244
66.804
1.00
4.22

ATOM
1122
O
ALA
345
19.646
46.454
67.563
1.00
5.43

ATOM
1123
N
ALA
346
20.525
45.688
65.597
1.00
3.54

ATOM
1124
H
ALA
346
21.323
45.645
65.043
1.00
0.00

ATOM
1125
CA
ALA
346
19.257
45.140
65.059
1.00
4.63

ATOM
1126
CB
ALA
346
19.442
44.694
63.647
1.00
4.56

ATOM
1127
C
ALA
346
18.769
43.992
65.925
1.00
4.94

ATOM
1128
O
ALA
346
17.562
43.865
66.158
1.00
4.62

ATOM
1129
N
GLN
347
19.691
43.149
66.415
1.00
4.26

ATOM
1130
H
GLN
347
20.630
43.255
66.203
1.00
0.00

ATOM
1131
CA
GLN
347
19.253
42.039
67.287
1.00
4.61

ATOM
1132
CB
GLN
347
20.437
41.123
67.668
1.00
4.27

ATOM
1133
CG
GLN
347
21.120
40.527
66.475
1.00
5.36

ATOM
1134
CD
GLN
347
22.162
39.471
66.822
1.00
5.82

ATOM
1135
OE1
GLN
347
22.130
38.918
67.891
1.00
7.06

ATOM
1136
NE2
GLN
347
23.104
39.223
65.904
1.00
6.44

ATOM
1137
HE21
GLN
347
23.095
39.715
65.057
1.00
0.00

ATOM
1138
HE22
GLN
347
23.763
38.532
66.098
1.00
0.00

ATOM
1139
C
GLN
347
18.558
42.542
68.524
1.00
5.59

ATOM
1140
O
GLN
347
17.563
41.999
68.987
1.00
6.38

ATOM
1141
N
ILE
348
19.117
43.599
69.129
1.00
4.36

ATOM
1142
H
ILE
348
19.933
43.999
68.752
1.00
0.00

ATOM
1143
CA
ILE
348
18.547
44.163
70.321
1.00
4.40

ATOM
1144
CB
ILE
348
19.507
45.237
70.885
1.00
4.00

ATOM
1145
CG2
ILE
348
18.896
45.944
72.083
1.00
5.56

ATOM
1146
CG1
ILE
348
20.815
44.547
71.279
1.00
3.40

ATOM
1147
CD1
ILE
348
21.972
45.521
71.478
1.00
5.25

ATOM
1148
C
ILE
348
17.192
44.797
69.974
1.00
3.38

ATOM
1149
O
ILE
348
16.287
44.658
70.794
1.00
4.01

ATOM
1150
N
ALA
349
17.111
45.518
68.857
1.00
4.79

ATOM
1151
H
ALA
349
17.902
45.617
68.285
1.00
0.00

ATOM
1152
CA
ALA
349
15.827
46.147
68.447
1.00
3.81

ATOM
1153
CB
ALA
349
15.972
46.914
67.148
1.00
4.46

ATOM
1154
C
ALA
349
14.788
45.007
68.242
1.00
4.00

ATOM
1155
O
ALA
349
13.606
45.193
68.604
1.00
4.66

ATOM
1156
N
GLU
350
15.226
43.862
67.717
1.00
5.02

ATOM
1157
H
GLU
350
16.162
43.769
67.465
1.00
0.00

ATOM
1158
CA
GLU
350
14.295
42.747
67.499
1.00
4.86

ATOM
1159
CB
GLU
350
15.011
41.626
66.771
1.00
5.41

ATOM
1160
CG
GLU
350
14.139
40.436
66.419
1.00
7.13

ATOM
1161
CD
GLU
350
14.948
39.349
65.710
1.00
10.34

ATOM
1162
OE1
GLU
350
15.991
39.637
65.025
1.00
10.86

ATOM
1163
OE2
GLU
350
14.466
38.181
65.764
1.00
12.13

ATOM
1164
C
GLU
350
13.768
42.243
68.854
1.00
5.26

ATOM
1165
O
GLU
350
12.563
41.921
68.985
1.00
5.78

ATOM
1166
N
GLY
351
14.641
42.113
69.868
1.00
3.72

ATOM
1167
H
GLY
351
15.593
42.271
69.705
1.00
0.00

ATOM
1168
CA
GLY
351
14.167
41.705
71.183
1.00
3.50

ATOM
1169
C
GLY
351
13.200
42.739
71.741
1.00
4.23

ATOM
1170
O
GLY
351
12.202
42.405
72.322
1.00
5.58

ATOM
1171
N
MET
352
13.560
44.009
71.611
1.00
3.47

ATOM
1172
H
MET
352
14.420
44.241
71.190
1.00
0.00

ATOM
1173
CA
MET
352
12.665
45.019
72.130
1.00
3.42

ATOM
1174
CB
MET
352
13.342
46.392
72.110
1.00
2.72

ATOM
1175
CG
MET
352
14.467
46.506
73.158
1.00
5.58

ATOM
1176
SD
MET
352
14.003
46.180
74.852
1.00
5.58

ATOM
1177
CE
MET
352
12.489
47.318
75.041
1.00
7.43

ATOM
1178
C
MET
352
11.337
45.091
71.369
1.00
3.73

ATOM
1179
O
MET
352
10.372
45.485
72.023
1.00
4.83

ATOM
1180
N
ALA
353
11.275
44.680
70.093
1.00
4.70

ATOM
1181
H
ALA
353
12.092
44.390
69.637
1.00
0.00

ATOM
1182
CA
ALA
353
10.014
44.713
69.327
1.00
3.95

ATOM
1183
CB
ALA
353
10.251
44.482
67.888
1.00
5.05

ATOM
1184
C
ALA
353
9.116
43.633
69.914
1.00
5.68

ATOM
1185
O
ALA
353
7.888
43.816
69.920
1.00
5.65

ATOM
1186
N
PHE
354
9.703
42.527
70.378
1.00
5.57

ATOM
1187
H
PHE
354
10.677
42.415
70.297
1.00
0.00

ATOM
1188
CA
PHE
354
8.871
41.487
71.010
1.00
5.74

ATOM
1189
CB
PHE
354
9.690
40.193
71.276
1.00
5.64

ATOM
1190
CG
PHE
354
8.963
39.190
72.137
1.00
7.49

ATOM
1191
CD1
PHE
354
7.954
38.421
71.583
1.00
9.77

ATOM
1192
CD2
PHE
354
9.284
39.033
73.477
1.00
7.95

ATOM
1193
CE1
PHE
354
7.269
37.494
72.416
1.00
7.85

ATOM
1194
CE2
PHE
354
8.600
38.106
74.307
1.00
10.41

ATOM
1195
CZ
PHE
354
7.606
37.365
73.731
1.00
8.21

ATOM
1196
C
PHE
354
8.262
42.040
72.300
1.00
5.21

ATOM
1197
O
PHE
354
7.074
41.882
72.542
1.00
6.94

ATOM
1198
N
ILE
355
9.066
42.707
73.146
1.00
3.91

ATOM
1199
H
ILE
355
10.007
42.832
72.897
1.00
0.00

ATOM
1200
CA
ILE
355
8.624
43.274
74.422
1.00
4.64

ATOM
1201
CB
ILE
355
9.858
43.897
75.121
1.00
4.64

ATOM
1202
CG2
ILE
355
9.429
44.817
76.257
1.00
5.51

ATOM
1203
CG1
ILE
355
10.689
42.748
75.698
1.00
5.02

ATOM
1204
CD1
ILE
355
12.039
43.225
76.336
1.00
5.07

ATOM
1205
C
ILE
355
7.507
44.302
74.145
1.00
5.18

ATOM
1206
O
ILE
355
6.471
44.277
74.821
1.00
6.36

ATOM
1207
N
GLU
356
7.688
45.052
73.072
1.00
5.48

ATOM
1208
H
GLU
356
8.499
44.926
72.549
1.00
0.00

ATOM
1209
CA
GLU
356
6.730
46.066
72.633
1.00
5.56

ATOM
1210
CB
GLU
356
7.309
46.792
71.413
1.00
6.65

ATOM
1211
CG
GLU
356
6.392
47.776
70.567
1.00
9.77

ATOM
1212
CD
GLU
356
7.256
48.348
69.382
1.00
11.17

ATOM
1213
OE1
GLU
356
7.380
47.805
68.206
1.00
14.46

ATOM
1214
OE2
GLU
356
7.863
49.347
69.707
1.00
13.36

ATOM
1215
C
GLU
356
5.411
45.370
72.284
1.00
5.36

ATOM
1216
O
GLU
356
4.348
45.812
72.733
1.00
6.62

ATOM
1217
N
GLU
357
5.482
44.359
71.428
0.36
2.07

ATOM
1218
H
GLU
357
6.356
44.046
71.111
1.00
0.00

ATOM
1219
CA
GLU
357
4.260
43.690
70.981
0.36
2.00

ATOM
1220
CB
GLU
357
4.593
42.734
69.845
0.36
3.32

ATOM
1221
CG
GLU
357
3.419
41.918
69.332
0.36
6.37

ATOM
1222
CD
GLU
357
3.244
40.629
70.091
0.36
9.12

ATOM
1223
OE1
GLU
357
4.082
40.326
70.953
0.36
10.81

ATOM
1224
OE2
GLU
357
2.264
39.897
69.841
0.36
12.28

ATOM
1225
C
GLU
357
3.495
43.010
72.096
0.36
2.09

ATOM
1226
O
GLU
357
2.254
42.897
72.064
0.36
2.00

ATOM
1227
N
ARG
358
4.215
42.578
73.112
1.00
5.24

ATOM
1228
H
ARG
358
5.184
42.724
73.114
1.00
0.00

ATOM
1229
CA
ARG
358
3.568
41.888
74.246
1.00
6.65

ATOM
1230
CB
ARG
358
4.542
40.861
74.891
1.00
9.04

ATOM
1231
CG
ARG
358
5.014
39.746
73.965
1.00
10.38

ATOM
1232
CD
ARG
358
3.832
38.910
73.377
1.00
13.95

ATOM
1233
NE
ARG
358
2.952
38.513
74.438
1.00
17.47

ATOM
1234
HE
ARG
358
3.314
38.471
75.342
1.00
0.00

ATOM
1235
CZ
ARG
358
1.678
38.213
74.227
1.00
17.45

ATOM
1236
NH1
ARG
358
1.200
38.277
72.985
1.00
19.34

ATOM
1237
HH11
ARG
358
1.801
38.543
72.242
1.00
0.00

ATOM
1238
HH12
ARG
358
0.241
38.050
72.811
1.00
0.00

ATOM
1239
NH2
ARG
358
0.897
37.937
75.262
1.00
19.28

ATOM
1240
HH21
ARG
358
1.289
37.929
76.190
1.00
0.00

ATOM
1241
HH22
ARG
358
−0.055
37.691
75.122
1.00
0.00

ATOM
1242
C
ARG
358
3.040
42.803
75.341
1.00
6.80

ATOM
1243
O
ARG
358
2.581
42.352
76.383
1.00
9.44

ATOM
1244
N
ASN
359
3.113
44.120
75.095
1.00
7.42

ATOM
1245
H
ASN
359
3.472
44.423
74.234
1.00
0.00

ATOM
1246
CA
ASN
359
2.661
45.128
76.047
1.00
8.33

ATOM
1247
CB
ASN
359
1.161
44.997
76.418
1.00
8.38

ATOM
1248
CG
ASN
359
0.249
45.452
75.301
1.00
9.65

ATOM
1249
OD1
ASN
359
0.661
46.058
74.325
1.00
12.69

ATOM
1250
ND2
ASN
359
−1.031
45.100
75.428
1.00
12.89

ATOM
1251
HD21
ASN
359
−1.325
44.590
76.209
1.00
0.00

ATOM
1252
HD22
ASN
359
−1.663
45.395
74.733
1.00
0.00

ATOM
1253
C
ASN
359
3.477
45.300
77.298
1.00
7.53

ATOM
1254
O
ASN
359
2.976
45.618
78.353
1.00
9.21

ATOM
1255
N
TYR
360
4.786
45.023
77.207
1.00
6.45

ATOM
1256
H
TYR
360
5.185
44.692
76.374
1.00
0.00

ATOM
1257
CA
TYR
360
5.629
45.247
78.357
1.00
6.51

ATOM
1258
CB
TYR
360
6.540
44.026
78.603
1.00
6.47

ATOM
1259
CG
TYR
360
5.822
42.905
79.323
1.00
7.71

ATOM
1260
CD1
TYR
360
5.025
42.040
78.627
1.00
11.10

ATOM
1261
CE1
TYR
360
4.362
40.971
79.293
1.00
12.54

ATOM
1262
CD2
TYR
360
5.976
42.726
80.686
1.00
9.28

ATOM
1263
CE2
TYR
360
5.314
41.706
81.359
1.00
11.47

ATOM
1264
CZ
TYR
360
4.526
40.842
80.651
1.00
13.14

ATOM
1265
OH
TYR
360
3.793
39.868
81.329
1.00
16.50

ATOM
1266
HH
TYR
360
3.298
39.348
80.701
1.00
0.00

ATOM
1267
C
TYR
360
6.552
46.413
78.061
1.00
5.30

ATOM
1268
O
TYR
360
6.622
46.880
76.936
1.00
6.46

ATOM
1269
N
ILE
361
7.170
46.882
79.125
1.00
6.46

ATOM
1270
H
ILE
361
6.925
46.527
80.001
1.00
0.00

ATOM
1271
CA
ILE
361
8.234
47.889
79.038
1.00
6.30

ATOM
1272
CB
ILE
361
7.795
49.281
79.548
1.00
7.47

ATOM
1273
CG2
ILE
361
6.822
49.866
78.557
1.00
8.36

ATOM
1274
CG1
ILE
361
7.283
49.192
80.974
1.00
7.63

ATOM
1275
CD1
ILE
361
7.029
50.595
81.537
1.00
10.24

ATOM
1276
C
ILE
361
9.397
47.292
79.854
1.00
6.54

ATOM
1277
O
ILE
361
9.207
46.473
80.761
1.00
6.53

ATOM
1278
N
HIS
362
10.621
47.761
79.567
1.00
6.73

ATOM
1279
H
HIS
362
10.705
48.454
78.895
1.00
0.00

ATOM
1280
CA
HIS
362
11.806
47.232
80.245
1.00
6.25

ATOM
1281
CB
HIS
362
12.869
46.961
79.178
1.00
5.77

ATOM
1282
CG
HIS
362
14.092
46.248
79.690
1.00
5.45

ATOM
1283
CD2
HIS
362
14.468
44.938
79.647
1.00
6.09

ATOM
1284
ND1
HIS
362
15.077
46.892
80.397
1.00
6.86

ATOM
1285
HD1
HIS
362
15.110
47.858
80.570
1.00
0.00

ATOM
1286
CE1
HIS
362
16.014
46.030
80.777
1.00
7.28

ATOM
1287
NE2
HIS
362
15.650
44.829
80.321
1.00
6.66

ATOM
1288
HE2
HIS
362
16.165
44.014
80.467
1.00
0.00

ATOM
1289
C
HIS
362
12.312
48.198
81.333
1.00
6.96

ATOM
1290
O
HIS
362
12.604
47.804
82.445
1.00
7.16

ATOM
1291
N
ARG
363
12.455
49.470
80.951
1.00
7.28

ATOM
1292
H
ARG
363
12.263
49.705
80.018
1.00
0.00

ATOM
1293
CA
ARG
363
12.869
50.559
81.843
1.00
7.20

ATOM
1294
CB
ARG
363
12.013
50.655
83.133
1.00
7.60

ATOM
1295
CG
ARG
363
10.522
50.776
82.802
1.00
7.72

ATOM
1296
CD
ARG
363
9.783
51.262
84.036
1.00
9.74

ATOM
1297
NE
ARG
363
9.869
50.343
85.152
1.00
10.57

ATOM
1298
HE
ARG
363
10.012
49.404
84.937
1.00
0.00

ATOM
1299
CZ
ARG
363
9.750
50.683
86.428
1.00
12.41

ATOM
1300
NH1
ARG
363
9.556
51.955
86.773
1.00
13.78

ATOM
1301
HH11
ARG
363
9.518
52.662
86.073
1.00
0.00

ATOM
1302
HH12
ARG
363
9.488
52.195
87.740
1.00
0.00

ATOM
1303
NH2
ARG
363
9.784
49.752
87.368
1.00
12.55

ATOM
1304
HH21
ARG
363
9.877
48.784
87.114
1.00
0.00

ATOM
1305
HH22
ARG
363
9.691
50.004
88.328
1.00
0.00

ATOM
1306
C
ARG
363
14.314
50.619
82.248
1.00
8.08

ATOM
1307
O
ARG
363
14.715
51.571
82.927
1.00
10.09

ATOM
1308
N
ASP
364
15.106
49.633
81.845
1.00
7.43

ATOM
1309
H
ASP
364
14.739
48.926
81.296
1.00
0.00

ATOM
1310
CA
ASP
364
16.538
49.612
82.217
1.00
7.37

ATOM
1311
CB
ASP
364
16.718
48.600
83.369
1.00
9.33

ATOM
1312
CG
ASP
364
17.934
48.885
84.252
1.00
11.01

ATOM
1313
OD1
ASP
364
18.666
49.855
83.985
1.00
14.23

ATOM
1314
OD2
ASP
364
18.133
48.118
85.232
1.00
13.15

ATOM
1315
C
ASP
364
17.328
49.176
80.979
1.00
7.00

ATOM
1316
O
ASP
364
18.325
48.457
81.081
1.00
6.90

ATOM
1317
N
LEU
365
16.969
49.704
79.816
1.00
6.16

ATOM
1318
H
LEU
365
16.252
50.366
79.771
1.00
0.00

ATOM
1319
CA
LEU
365
17.626
49.321
78.591
1.00
5.80

ATOM
1320
CB
LEU
365
16.679
49.555
77.398
1.00
6.34

ATOM
1321
CG
LEU
365
17.204
49.239
75.995
1.00
5.69

ATOM
1322
CD1
LEU
365
17.619
47.750
75.912
1.00
7.46

ATOM
1323
CD2
LEU
365
16.103
49.465
75.001
1.00
7.06

ATOM
1324
C
LEU
365
18.919
50.133
78.461
1.00
7.96

ATOM
1325
O
LEU
365
18.889
51.344
78.362
1.00
8.00

ATOM
1326
N
ARG
366
20.036
49.436
78.454
1.00
6.41

ATOM
1327
H
ARG
366
19.967
48.457
78.536
1.00
0.00

ATOM
1328
CA
ARG
366
21.379
50.010
78.340
1.00
6.06

ATOM
1329
CB
ARG
366
21.798
50.631
79.664
1.00
6.83

ATOM
1330
CG
ARG
366
21.724
49.671
80.885
1.00
7.28

ATOM
1331
CD
ARG
366
21.899
50.431
82.169
1.00
11.03

ATOM
1332
NE
ARG
366
23.175
51.133
82.201
1.00
13.50

ATOM
1333
HE
ARG
366
23.818
50.985
81.487
1.00
0.00

ATOM
1334
CZ
ARG
366
23.495
51.973
83.177
1.00
15.04

ATOM
1335
NH1
ARG
366
22.631
52.211
84.154
1.00
18.15

ATOM
1336
HH11
ARG
366
21.732
51.761
84.155
1.00
0.00

ATOM
1337
HH12
ARG
366
22.860
52.847
84.888
1.00
0.00

ATOM
1338
NH2
ARG
366
24.710
52.474
83.242
1.00
17.55

ATOM
1339
HH21
ARG
366
25.390
52.220
82.560
1.00
0.00

ATOM
1340
HH22
ARG
366
24.954
53.114
83.978
1.00
0.00

ATOM
1341
C
ARG
366
22.302
48.866
77.977
1.00
6.86

ATOM
1342
O
ARG
366
21.964
47.715
78.218
1.00
5.81

ATOM
1343
N
ALA
367
23.515
49.174
77.533
1.00
5.91

ATOM
1344
H
ALA
367
23.776
50.100
77.473
1.00
0.00

ATOM
1345
CA
ALA
367
24.423
48.087
77.137
1.00
5.11

ATOM
1346
CB
ALA
367
25.693
48.656
76.461
1.00
6.19

ATOM
1347
C
ALA
367
24.811
47.137
78.280
1.00
6.35

ATOM
1348
O
ALA
367
25.139
45.947
77.977
1.00
6.18

ATOM
1349
N
ALA
368
24.795
47.612
79.518
1.00
6.36

ATOM
1350
H
ALA
368
24.592
48.543
79.680
1.00
0.00

ATOM
1351
CA
ALA
368
25.095
46.734
80.647
1.00
6.76

ATOM
1352
CB
ALA
368
25.129
47.490
81.939
1.00
8.33

ATOM
1353
C
ALA
368
24.060
45.615
80.760
1.00
6.98

ATOM
1354
O
ALA
368
24.355
44.580
81.356
1.00
8.43

ATOM
1355
N
ASN
369
22.879
45.839
80.193
1.00
5.80

ATOM
1356
H
ASN
369
22.723
46.674
79.700
1.00
0.00

ATOM
1357
CA
ASN
369
21.773
44.877
80.321
1.00
6.07

ATOM
1358
CB
ASN
369
20.528
45.545
80.911
1.00
6.03

ATOM
1359
CG
ASN
369
20.736
45.949
82.373
1.00
7.00

ATOM
1360
OD1
ASN
369
21.510
45.292
83.117
1.00
8.89

ATOM
1361
ND2
ASN
369
20.100
47.037
82.798
1.00
8.55

ATOM
1362
HD21
ASN
369
19.516
47.524
82.189
1.00
0.00

ATOM
1363
HD22
ASN
369
20.220
47.286
83.732
1.00
0.00

ATOM
1364
C
ASN
369
21.465
44.127
79.063
1.00
6.64

ATOM
1365
O
ASN
369
20.369
43.601
78.878
1.00
6.61

ATOM
1366
N
ILE
370
22.437
44.098
78.181
1.00
4.83

ATOM
1367
H
ILE
370
23.235
44.632
78.335
1.00
0.00

ATOM
1368
CA
ILE
370
22.369
43.243
76.985
1.00
4.37

ATOM
1369
CB
ILE
370
22.705
44.012
75.724
1.00
4.38

ATOM
1370
CG2
ILE
370
22.787
43.118
74.492
1.00
5.49

ATOM
1371
CG1
ILE
370
21.745
45.198
75.560
1.00
4.73

ATOM
1372
CD1
ILE
370
20.210
44.713
75.543
1.00
6.97

ATOM
1373
C
ILE
370
23.478
42.202
77.193
1.00
5.68

ATOM
1374
O
ILE
370
24.572
42.529
77.592
1.00
6.20

ATOM
1375
N
LEU
371
23.127
40.935
77.039
1.00
4.58

ATOM
1376
H
LEU
371
22.204
40.693
76.821
1.00
0.00

ATOM
1377
CA
LEU
371
24.146
39.864
77.181
1.00
4.32

ATOM
1378
CB
LEU
371
23.603
38.761
78.096
1.00
3.54

ATOM
1379
CG
LEU
371
23.482
39.116
79.561
1.00
4.30

ATOM
1380
CD1
LEU
371
22.880
38.001
80.367
1.00
6.65

ATOM
1381
CD2
LEU
371
24.898
39.456
80.168
1.00
7.93

ATOM
1382
C
LEU
371
24.527
39.331
75.804
1.00
4.99

ATOM
1383
O
LEU
371
23.742
39.345
74.833
1.00
5.49

ATOM
1384
N
VAL
372
25.789
38.862
75.674
1.00
4.04

ATOM
1385
H
VAL
372
26.390
38.858
76.440
1.00
0.00

ATOM
1386
CA
VAL
372
26.310
38.403
74.401
1.00
4.69

ATOM
1387
CB
VAL
372
27.623
39.164
74.085
1.00
5.67

ATOM
1388
CG1
VAL
372
28.146
38.812
72.722
1.00
6.43

ATOM
1389
CG2
VAL
372
27.347
40.736
74.166
1.00
6.52

ATOM
1390
C
VAL
372
26.665
36.905
74.473
1.00
4.28

ATOM
1391
O
VAL
372
27.315
36.495
75.428
1.00
5.15

ATOM
1392
N
SER
373
26.214
36.144
73.480
1.00
4.34

ATOM
1393
H
SER
373
25.728
36.553
72.741
1.00
0.00

ATOM
1394
CA
SER
373
26.464
34.684
73.459
1.00
4.40

ATOM
1395
CB
SER
373
25.410
33.992
72.594
1.00
3.61

ATOM
1396
OG
SER
373
25.671
34.220
71.244
1.00
5.61

ATOM
1397
HG
SER
373
26.531
33.882
71.018
1.00
0.00

ATOM
1398
C
SER
373
27.827
34.351
72.900
1.00
6.57

ATOM
1399
O
SER
373
28.541
35.199
72.374
1.00
5.65

ATOM
1400
N
ASP
374
28.158
33.063
72.982
1.00
7.67

ATOM
1401
H
ASP
374
27.582
32.419
73.420
1.00
0.00

ATOM
1402
CA
ASP
374
29.401
32.633
72.405
1.00
9.72

ATOM
1403
CB
ASP
374
29.630
31.168
72.747
1.00
12.24

ATOM
1404
CG
ASP
374
28.651
30.288
72.094
1.00
16.64

ATOM
1405
OD1
ASP
374
27.446
30.542
72.290
1.00
18.67

ATOM
1406
OD2
ASP
374
29.066
29.426
71.278
1.00
20.28

ATOM
1407
C
ASP
374
29.476
32.827
70.891
1.00
9.29

ATOM
1408
O
ASP
374
30.554
32.831
70.344
1.00
11.15

ATOM
1409
N
THR
375
28.327
32.927
70.190
1.00
8.21

ATOM
1410
H
THR
375
27.459
32.875
70.657
1.00
0.00

ATOM
1411
CA
THR
375
28.306
33.120
68.755
1.00
8.40

ATOM
1412
CB
THR
375
27.238
32.260
68.056
1.00
8.35

ATOM
1413
OG1
THR
375
25.982
32.561
68.672
1.00
9.12

ATOM
1414
HG1
THR
375
25.806
33.510
68.563
1.00
0.00

ATOM
1415
CG2
THR
375
27.485
30.719
68.176
1.00
11.28

ATOM
1416
C
THR
375
28.106
34.578
68.355
1.00
8.49

ATOM
1417
O
THR
375
27.811
34.903
67.226
1.00
8.72

ATOM
1418
N
LEU
376
28.203
35.436
69.353
1.00
7.19

ATOM
1419
H
LEU
376
28.346
35.101
70.256
1.00
0.00

ATOM
1420
CA
LEU
376
28.118
36.883
69.173
1.00
8.14

ATOM
1421
CB
LEU
376
29.149
37.407
68.161
1.00
10.40

ATOM
1422
CG
LEU
376
30.608
37.097
68.564
1.00
11.93

ATOM
1423
CD1
LEU
376
31.457
38.031
67.671
1.00
13.62

ATOM
1424
CD2
LEU
376
30.949
37.256
70.019
1.00
13.34

ATOM
1425
C
LEU
376
26.710
37.342
68.841
1.00
8.14

ATOM
1426
O
LEU
376
26.502
38.204
67.976
1.00
8.33

ATOM
1427
N
SER
377
25.742
36.609
69.371
1.00
6.49

ATOM
1428
H
SER
377
25.946
35.806
69.878
1.00
0.00

ATOM
1429
CA
SER
377
24.356
37.087
69.250
1.00
6.46

ATOM
1430
CB
SER
377
23.400
35.934
68.923
1.00
5.34

ATOM
1431
OG
SER
377
23.368
34.975
69.963
1.00
6.98

ATOM
1432
HG
SER
377
22.769
34.262
69.738
1.00
0.00

ATOM
1433
C
SER
377
24.012
37.791
70.588
1.00
5.46

ATOM
1434
O
SER
377
24.592
37.566
71.649
1.00
6.09

ATOM
1435
N
CYS
378
23.032
38.684
70.544
1.00
5.11

ATOM
1436
H
CYS
378
22.529
38.848
69.724
1.00
0.00

ATOM
1437
CA
CYS
378
22.730
39.470
71.742
1.00
6.25

ATOM
1438
CB
CYS
378
22.741
40.969
71.406
1.00
6.45

ATOM
1439
SG
CYS
378
24.415
41.584
70.930
1.00
10.06

ATOM
1440
C
CYS
378
21.323
39.216
72.223
1.00
5.48

ATOM
1441
O
CYS
378
20.443
38.963
71.396
1.00
5.39

ATOM
1442
N
LYS
379
21.131
39.294
73.532
1.00
4.43

ATOM
1443
H
LYS
379
21.897
39.485
74.116
1.00
0.00

ATOM
1444
CA
LYS
379
19.808
39.073
74.131
1.00
4.63

ATOM
1445
CB
LYS
379
19.695
37.664
74.777
1.00
4.64

ATOM
1446
CG
LYS
379
19.810
36.618
73.678
1.00
4.87

ATOM
1447
CD
LYS
379
19.503
35.253
74.181
1.00
3.55

ATOM
1448
CE
LYS
379
19.881
34.280
73.053
1.00
4.66

ATOM
1449
NZ
LYS
379
19.074
32.964
73.127
1.00
6.09

ATOM
1450
HZ1
LYS
379
18.062
33.166
73.034
1.00
0.00

ATOM
1451
HZ2
LYS
379
19.248
32.493
74.028
1.00
0.00

ATOM
1452
HZ3
LYS
379
19.372
32.341
72.353
1.00
0.00

ATOM
1453
C
LYS
379
19.553
40.113
75.210
1.00
4.75

ATOM
1454
O
LYS
379
20.444
40.544
75.950
1.00
5.82

ATOM
1455
N
ILE
380
18.281
40.504
75.338
1.00
3.76

ATOM
1456
H
ILE
380
17.617
40.153
74.718
1.00
0.00

ATOM
1457
CA
ILE
380
17.902
41.447
76.392
1.00
3.92

ATOM
1458
CB
ILE
380
16.439
41.933
76.175
1.00
5.30

ATOM
1459
CG2
ILE
380
16.075
42.984
77.249
1.00
5.03

ATOM
1460
CG1
ILE
380
16.168
42.431
74.744
1.00
8.04

ATOM
1461
CD1
ILE
380
16.997
43.587
74.311
1.00
9.70

ATOM
1462
C
ILE
380
17.922
40.709
77.742
1.00
4.94

ATOM
1463
O
ILE
380
17.397
39.599
77.876
1.00
4.49

ATOM
1464
N
ALA
381
18.455
41.367
78.752
1.00
5.27

ATOM
1465
H
ALA
381
18.807
42.267
78.607
1.00
0.00

ATOM
1466
CA
ALA
381
18.528
40.803
80.077
1.00
5.60

ATOM
1467
CB
ALA
381
20.023
40.357
80.356
1.00
6.73

ATOM
1468
C
ALA
381
18.070
41.818
81.146
1.00
7.05

ATOM
1469
O
ALA
381
17.737
42.961
80.815
1.00
6.78

ATOM
1470
N
ASP
382
18.087
41.372
82.394
1.00
7.75

ATOM
1471
H
ASP
382
18.342
40.442
82.530
1.00
0.00

ATOM
1472
CA
ASP
382
17.763
42.160
83.573
1.00
8.33

ATOM
1473
CB
ASP
382
18.797
43.262
83.852
1.00
10.89

ATOM
1474
CG
ASP
382
18.620
43.868
85.256
1.00
14.13

ATOM
1475
OD1
ASP
382
17.585
43.590
85.944
1.00
17.05

ATOM
1476
OD2
ASP
382
19.563
44.563
85.725
1.00
17.44

ATOM
1477
C
ASP
382
16.365
42.738
83.523
1.00
8.68

ATOM
1478
O
ASP
382
16.140
43.927
83.251
1.00
9.78

ATOM
1479
N
PHE
383
15.419
41.900
83.924
1.00
7.70

ATOM
1480
H
PHE
383
15.675
41.030
84.282
1.00
0.00

ATOM
1481
CA
PHE
383
14.015
42.275
83.884
1.00
8.11

ATOM
1482
CB
PHE
383
13.235
41.053
83.392
1.00
7.97

ATOM
1483
CG
PHE
383
13.575
40.669
81.982
1.00
7.04

ATOM
1484
CD1
PHE
383
13.019
41.341
80.899
1.00
6.87

ATOM
1485
CD2
PHE
383
14.543
39.678
81.727
1.00
5.96

ATOM
1486
CE1
PHE
383
13.419
41.040
79.600
1.00
5.83

ATOM
1487
CE2
PHE
383
14.933
39.388
80.430
1.00
6.87

ATOM
1488
CZ
PHE
383
14.397
40.045
79.374
1.00
6.24

ATOM
1489
C
PHE
383
13.457
42.771
85.216
1.00
8.69

ATOM
1490
O
PHE
383
12.227
42.854
85.411
1.00
9.48

ATOM
1491
N
GLY
384
14.344
43.214
86.096
1.00
9.32

ATOM
1492
H
GLY
384
15.292
43.213
85.846
1.00
0.00

ATOM
1493
CA
GLY
384
13.932
43.659
87.416
1.00
10.41

ATOM
1494
C
GLY
384
12.963
44.838
87.414
1.00
10.19

ATOM
1495
O
GLY
384
12.117
44.945
88.313
1.00
11.74

ATOM
1496
N
LEU
385
13.146
45.758
86.469
1.00
9.00

ATOM
1497
H
LEU
385
13.886
45.663
85.830
1.00
0.00

ATOM
1498
CA
LEU
385
12.259
46.925
86.389
1.00
9.26

ATOM
1499
CB
LEU
385
13.066
48.198
86.104
1.00
9.63

ATOM
1500
CG
LEU
385
13.971
48.641
87.249
1.00
12.22

ATOM
1501
CD1
LEU
385
14.819
49.840
86.744
1.00
12.81

ATOM
1502
CD2
LEU
385
13.169
48.985
88.509
1.00
13.55

ATOM
1503
C
LEU
385
11.197
46.759
85.349
1.00
8.64

ATOM
1504
O
LEU
385
10.364
47.645
85.173
1.00
8.68

ATOM
1505
N
ALA
386
11.185
45.634
84.630
1.00
7.47

ATOM
1506
H
ALA
386
11.848
44.929
84.838
1.00
0.00

ATOM
1507
CA
ALA
386
10.194
45.436
83.547
1.00
7.81

ATOM
1508
CB
ALA
386
10.579
44.228
82.723
1.00
8.06

ATOM
1509
C
ALA
386
8.783
45.304
84.065
1.00
8.67

ATOM
1510
O
ALA
386
8.597
44.840
85.166
1.00
9.09

ATOM
1511
N
ARG
387
7.810
45.773
83.293
1.00
9.55

ATOM
1512
H
ARG
387
8.034
46.133
82.404
1.00
0.00

ATOM
1513
CA
ARG
387
6.411
45.761
83.739
1.00
10.38

ATOM
1514
CB
ARG
387
6.041
47.127
84.382
1.00
9.95

ATOM
1515
CG
ARG
387
6.877
47.550
85.627
1.00
11.72

ATOM
1516
CD
ARG
387
6.626
46.683
86.843
1.00
11.98

ATOM
1517
NE
ARG
387
7.333
47.168
88.009
1.00
14.30

ATOM
1518
HE
ARG
387
6.881
47.843
88.543
1.00
0.00

ATOM
1519
CZ
ARG
387
8.535
46.731
88.390
1.00
14.48

ATOM
1520
NH1
ARG
387
9.165
45.782
87.704
1.00
14.82

ATOM
1521
HH11
ARG
387
8.741
45.377
86.898
1.00
0.00

ATOM
1522
HH12
ARG
387
10.064
45.463
88.010
1.00
0.00

ATOM
1523
NH2
ARG
387
9.116
47.251
89.453
1.00
16.13

ATOM
1524
HH21
ARG
387
8.645
47.969
89.975
1.00
0.00

ATOM
1525
HH22
ARG
387
10.012
46.930
89.752
1.00
0.00

ATOM
1526
C
ARG
387
5.445
45.555
82.610
1.00
10.77

ATOM
1527
O
ARG
387
5.695
45.985
81.481
1.00
9.38

ATOM
1528
N
LEU
388
4.321
44.886
82.942
1.00
12.31

ATOM
1529
H
LEU
388
4.214
44.547
83.854
1.00
0.00

ATOM
1530
CA
LEU
388
3.233
44.681
82.000
1.00
15.61

ATOM
1531
CB
LEU
388
2.312
43.523
82.428
1.00
16.22

ATOM
1532
CG
LEU
388
1.164
43.180
81.444
1.00
16.99

ATOM
1533
CD1
LEU
388
1.624
43.029
80.043
1.00
17.93

ATOM
1534
CD2
LEU
388
0.454
41.881
81.908
1.00
19.04

ATOM
1535
C
LEU
388
2.444
45.977
82.079
1.00
17.76

ATOM
1536
O
LEU
388
2.023
46.406
83.162
1.00
18.30

ATOM
1537
N
ILE
389
2.211
46.542
80.910
1.00
19.03

ATOM
1538
H
ILE
389
2.498
46.080
80.106
1.00
0.00

ATOM
1539
CA
ILE
389
1.544
47.815
80.736
1.00
22.41

ATOM
1540
CB
ILE
389
2.540
48.673
79.801
1.00
22.90

ATOM
1541
CG2
ILE
389
1.877
49.282
78.614
1.00
25.50

ATOM
1542
CC1
ILE
389
3.364
49.629
80.675
1.00
24.32

ATOM
1543
CD1
ILE
389
3.584
49.158
82.104
1.00
22.03

ATOM
1544
C
ILE
389
0.062
47.558
80.316
1.00
23.87

ATOM
1545
O
ILE
389
−0.245
47.095
79.233
1.00
24.93

ATOM
1546
N
GLU
390
−0.831
47.762
81.277
1.00
26.28

ATOM
1547
H
GLU
390
−0.512
48.078
82.143
1.00
0.00

ATOM
1548
CA
GLU
390
−2.289
47.561
81.120
1.00
27.19

ATOM
1549
CB
GLU
390
−2.852
47.412
82.550
1.00
28.06

ATOM
1550
CG
GLU
390
−1.738
46.634
83.317
1.00
29.36

ATOM
1551
CD
GLU
390
−2.098
45.949
84.591
1.00
29.77

ATOM
1552
OE1
GLU
390
−2.656
44.821
84.536
1.00
33.71

ATOM
1553
OE2
GLU
390
−1.721
46.483
85.657
1.00
32.83

ATOM
1554
C
GLU
390
−2.889
48.676
80.239
1.00
27.94

ATOM
1555
O
GLU
390
−3.554
48.404
79.235
1.00
28.70

ATOM
1556
N
ASP
391
−2.544
49.914
80.562
1.00
27.89

ATOM
1557
H
ASP
391
−2.136
49.831
81.347
1.00
0.00

ATOM
1558
CA
ASP
391
−2.912
51.113
79.835
1.00
27.88

ATOM
1559
CB
ASP
391
−3.614
52.091
80.788
1.00
28.06

ATOM
1560
CG
ASP
391
−4.958
51.566
81.269
1.00
28.78

ATOM
1561
OD1
ASP
391
−5.926
51.686
80.489
1.00
31.01

ATOM
1562
OD2
ASP
391
−5.055
51.010
82.382
1.00
30.51

ATOM
1563
C
ASP
391
−1.566
51.661
79.319
1.00
28.40

ATOM
1564
O
ASP
391
−0.498
51.332
79.861
1.00
30.70

ATOM
1565
N
ASN
392
−1.584
52.451
78.264
1.00
27.86

ATOM
1566
H
ASN
392
−2.449
52.738
77.912
1.00
0.00

ATOM
1567
CA
ASN
392
−0.347
52.988
77.662
1.00
26.67

ATOM
1568
CB
ASN
392
−0.749
54.151
76.702
1.00
27.44

ATOM
1569
CG
ASN
392
0.422
54.981
76.169
1.00
27.68

ATOM
1570
OD1
ASN
392
0.624
55.099
74.941
1.00
30.22

ATOM
1571
ND2
ASN
392
1.103
55.672
77.069
1.00
29.28

ATOM
1572
HD21
ASN
392
0.826
55.624
78.013
1.00
0.00

ATOM
1573
HD22
ASN
392
1.842
56.233
76.770
1.00
0.00

ATOM
1574
C
ASN
392
0.852
53.313
78.597
1.00
26.04

ATOM
1575
O
ASN
392
2.002
52.961
78.245
1.00
26.05

ATOM
1576
N
GLU
393
0.580
53.698
79.851
1.00
24.55

ATOM
1577
H
GLU
393
−0.346
53.711
80.181
1.00
0.00

ATOM
1578
CA
GLU
393
1.659
54.131
80.765
1.00
24.24

ATOM
1579
CB
GLU
393
1.533
55.661
80.775
1.00
24.48

ATOM
1580
CG
GLU
393
2.497
56.482
81.537
1.00
26.69

ATOM
1581
CD
GLU
393
2.033
57.925
81.500
1.00
27.72

ATOM
1582
OE1
GLU
393
1.319
58.351
82.440
1.00
29.14

ATOM
1583
OE2
GLU
393
2.348
58.613
80.499
1.00
30.45

ATOM
1584
C
GLU
393
1.838
53.569
82.213
1.00
23.01

ATOM
1585
O
GLU
393
0.853
53.231
82.901
1.00
24.00

ATOM
1586
N
PTR
394
3.101
53.425
82.647
1.00
20.84

ATOM
1587
CA
PTR
394
3.441
52.971
83.994
1.00
19.86

ATOM
1588
C
PTR
394
3.985
54.192
84.730
1.00
19.41

ATOM
1589
O
PTR
394
4.883
54.882
84.246
1.00
18.42

ATOM
1590
CB
PTR
394
4.521
51.850
83.989
1.00
19.64

ATOM
1591
CG
PTR
394
4.825
51.286
85.369
1.00
21.18

ATOM
1592
CD1
PTR
394
3.984
50.327
85.920
1.00
22.60

ATOM
1593
CD2
PTR
394
5.940
51.714
86.104
1.00
22.12

ATOM
1594
CE1
PTR
394
4.263
49.820
87.180
1.00
25.56

ATOM
1595
CE2
PTR
394
6.242
51.222
87.371
1.00
25.23

ATOM
1596
CZ
PTR
394
5.372
50.268
87.881
1.00
27.46

ATOM
1597
OH
PTR
394
5.671
49.754
89.196
1.00
32.26

ATOM
1598
P
PTR
394
6.483
50.612
90.322
1.00
35.99

ATOM
1599
O1P
PTR
394
7.817
50.767
89.802
1.00
35.74

ATOM
1600
O2P
PTR
394
6.596
49.898
91.619
1.00
35.31

ATOM
1601
O3P
PTR
394
5.885
52.009
90.479
1.00
36.41

ATOM
1602
N
THR
395
3.451
54.460
85.904
1.00
20.04

ATOM
1603
H
THR
395
2.745
53.891
86.266
1.00
0.00

ATOM
1604
CA
THR
395
3.920
55.583
86.693
1.00
20.75

ATOM
1605
CB
THR
395
2.722
56.526
87.037
1.00
20.90

ATOM
1606
OG1
THR
395
2.160
57.062
85.828
1.00
21.39

ATOM
1607
HG1
THR
395
1.897
56.368
85.193
1.00
0.00

ATOM
1608
CG2
THR
395
3.200
57.691
87.864
1.00
22.70

ATOM
1609
C
THR
395
4.652
55.047
87.929
1.00
21.38

ATOM
1610
O
THR
395
4.100
54.294
88.718
1.00
22.13

ATOM
1611
N
ALA
396
5.943
55.339
88.035
1.00
21.97

ATOM
1612
H
ALA
396
6.350
55.856
87.315
1.00
0.00

ATOM
1613
CA
ALA
396
6.773
54.881
89.148
1.00
23.48

ATOM
1614
CB
ALA
396
8.240
55.170
88.811
1.00
22.84

ATOM
1615
C
ALA
396
6.403
55.520
90.512
1.00
24.59

ATOM
1616
O
ALA
396
5.348
56.123
90.650
1.00
25.45

ATOM
1617
N
ALA
397
7.319
55.433
91.486
1.00
26.07

ATOM
1618
H
ALA
397
8.126
54.926
91.281
1.00
0.00

ATOM
1619
CA
ALA
397
7.172
55.993
92.851
1.00
27.25

ATOM
1620
CB
ALA
397
7.836
55.050
93.836
1.00
27.32

ATOM
1621
C
ALA
397
7.857
57.388
92.889
1.00
28.09

ATOM
1622
O
ALA
397
8.990
57.494
92.435
1.00
28.75

ATOM
1623
N
GLU
398
7.210
58.451
93.407
1.00
28.89

ATOM
1624
H
GLU
398
6.305
58.325
93.812
1.00
0.00

ATOM
1625
CA
GLU
398
7.837
59.794
93.419
1.00
29.61

ATOM
1626
CB
GLU
398
7.099
60.823
94.308
1.00
29.76

ATOM
1627
CG
GLU
398
5.801
61.413
93.737
1.00
31.04

ATOM
1628
CD
GLU
398
5.826
61.593
92.232
1.00
31.85

ATOM
1629
OE1
GLU
398
6.686
62.342
91.720
1.00
32.63

ATOM
1630
OE2
GLU
398
4.983
60.957
91.549
1.00
33.67

ATOM
1631
C
GLU
398
9.311
59.770
93.822
1.00
29.08

ATOM
1632
O
GLU
398
10.149
60.476
93.225
1.00
30.57

ATOM
1633
N
GLY
399
9.626
58.912
94.793
1.00
29.05

ATOM
1634
H
GLY
399
8.914
58.386
95.191
1.00
0.00

ATOM
1635
CA
GLY
399
10.993
58.770
95.265
1.00
27.68

ATOM
1636
C
GLY
399
11.902
57.917
94.392
1.00
27.05

ATOM
1637
O
GLY
399
13.124
58.061
94.489
1.00
28.08

ATOM
1638
N
ALA
400
11.343
57.016
93.575
1.00
25.80

ATOM
1639
H
ALA
400
10.365
56.937
93.574
1.00
0.00

ATOM
1640
CA
ALA
400
12.147
56.140
92.690
1.00
24.97

ATOM
1641
CB
ALA
400
11.230
55.264
91.820
1.00
25.88

ATOM
1642
C
ALA
400
13.072
56.964
91.796
1.00
24.08

ATOM
1643
O
ALA
400
12.653
57.972
91.231
1.00
23.69

ATOM
1644
N
ALA
401
14.325
56.527
91.684
1.00
22.58

ATOM
1645
H
ALA
401
14.587
55.709
92.161
1.00
0.00

ATOM
1646
CA
ALA
401
15.321
57.231
90.873
1.00
21.72

ATOM
1647
CB
ALA
401
16.440
57.756
91.750
1.00
21.84

ATOM
1648
C
ALA
401
15.898
56.360
89.770
1.00
21.42

ATOM
1649
O
ALA
401
16.135
55.160
89.962
1.00
22.02

ATOM
1650
N
PHE
402
16.136
56.968
88.606
1.00
20.04

ATOM
1651
H
PHE
402
15.926
57.920
88.525
1.00
0.00

ATOM
1652
CA
PHE
402
16.670
56.251
87.433
1.00
19.01

ATOM
1653
CB
PHE
402
15.592
56.187
86.349
1.00
19.03

ATOM
1654
CG
PHE
402
14.408
55.380
86.765
1.00
19.84

ATOM
1655
CD1
PHE
402
13.389
55.961
87.520
1.00
20.91

ATOM
1656
CD2
PHE
402
14.343
54.026
86.462
1.00
21.47

ATOM
1657
CE1
PHE
402
12.293
55.170
87.982
1.00
20.57

ATOM
1658
CE2
PHE
402
13.290
53.251
86.902
1.00
23.31

ATOM
1659
CZ
PHE
402
12.265
53.819
87.662
1.00
21.28

ATOM
1660
C
PHE
402
17.907
56.942
86.893
1.00
17.86

ATOM
1661
O
PHE
402
18.087
58.127
87.156
1.00
18.44

ATOM
1662
N
PRO
403
18.787
56.220
86.178
1.00
17.44

ATOM
1663
CD
PRO
403
18.730
54.779
85.882
1.00
18.18

ATOM
1664
CA
PRO
403
20.019
56.811
85.615
1.00
16.59

ATOM
1665
CB
PRO
403
20.691
55.637
84.911
1.00
17.23

ATOM
1666
CG
PRO
403
20.170
54.442
85.679
1.00
18.61

ATOM
1667
C
PRO
403
19.624
57.866
84.616
1.00
14.73

ATOM
1668
O
PRO
403
18.987
57.605
83.596
1.00
15.04

ATOM
1669
N
ILE
404
20.022
59.080
84.919
1.00
13.61

ATOM
1670
H
ILE
404
20.555
59.235
85.731
1.00
0.00

ATOM
1671
CA
ILE
404
19.660
60.194
84.091
1.00
12.30

ATOM
1672
CB
ILE
404
20.203
61.528
84.721
1.00
13.05

ATOM
1673
CG2
ILE
404
20.079
62.721
83.745
1.00
13.72

ATOM
1674
CG1
ILE
404
19.491
61.796
86.058
1.00
14.98

ATOM
1675
CD1
ILE
404
18.033
61.960
85.911
1.00
17.98

ATOM
1676
C
ILE
404
20.085
60.106
82.647
1.00
11.12

ATOM
1677
O
ILE
404
19.278
60.367
81.756
1.00
11.56

ATOM
1678
N
LYS
405
21.318
59.670
82.381
1.00
9.07

ATOM
1679
H
LYS
405
21.925
59.426
83.106
1.00
0.00

ATOM
1680
CA
LYS
405
21.775
59.650
81.002
1.00
7.63

ATOM
1681
CB
LYS
405
23.300
59.453
80.911
1.00
8.28

ATOM
1682
CG
LYS
405
24.061
60.612
81.557
1.00
8.49

ATOM
1683
CD
LYS
405
25.564
60.423
81.441
1.00
11.13

ATOM
1684
CE
LYS
405
26.337
61.718
81.836
1.00
13.18

ATOM
1685
NZ
LYS
405
27.805
61.777
81.368
1.00
14.95

ATOM
1686
HZ1
LYS
405
27.839
61.749
80.330
1.00
0.00

ATOM
1687
HZ2
LYS
405
28.334
60.981
81.766
1.00
0.00

ATOM
1688
HZ3
LYS
405
28.226
62.667
81.697
1.00
0.00

ATOM
1689
C
LYS
405
21.052
58.679
80.061
1.00
6.24

ATOM
1690
O
LYS
405
21.100
58.871
78.838
1.00
7.40

ATOM
1691
N
TRP
406
20.392
57.651
80.619
1.00
7.34

ATOM
1692
H
TRP
406
20.372
57.535
81.590
1.00
0.00

ATOM
1693
CA
TRP
406
19.728
56.699
79.731
1.00
8.49

ATOM
1694
CB
TRP
406
20.042
55.244
80.160
1.00
9.71

ATOM
1695
CG
TRP
406
21.321
54.748
79.711
1.00
10.18

ATOM
1696
CD2
TRP
406
22.566
54.922
80.368
1.00
10.17

ATOM
1697
CE2
TRP
406
23.535
54.241
79.595
1.00
9.32

ATOM
1698
CE3
TRP
406
22.971
55.598
81.535
1.00
10.29

ATOM
1699
CD1
TRP
406
21.558
54.016
78.589
1.00
10.80

ATOM
1700
NE1
TRP
406
22.902
53.695
78.517
1.00
10.93

ATOM
1701
HE1
TRP
406
23.320
53.164
77.823
1.00
0.00

ATOM
1702
CZ2
TRP
406
24.874
54.205
79.959
1.00
11.02

ATOM
1703
CZ3
TRP
406
24.319
55.569
81.898
1.00
11.88

ATOM
1704
CH2
TRP
406
25.251
54.877
81.105
1.00
9.69

ATOM
1705
C
TRP
406
18.212
56.820
79.719
1.00
9.42

ATOM
1706
O
TRP
406
17.516
56.222
78.871
1.00
10.08

ATOM
1707
N
THR
407
17.706
57.613
80.652
1.00
9.02

ATOM
1708
H
THR
407
18.294
58.157
81.200
1.00
0.00

ATOM
1709
CA
THR
407
16.266
57.673
80.873
1.00
10.08

ATOM
1710
CB
THR
407
15.984
57.741
82.376
1.00
10.72

ATOM
1711
OG1
THR
407
16.657
56.670
83.062
1.00
12.59

ATOM
1712
HG1
THR
407
16.372
55.818
82.760
1.00
0.00

ATOM
1713
CG2
THR
407
14.467
57.617
82.608
1.00
11.37

ATOM
1714
C
THR
407
15.592
58.819
80.107
1.00
9.61

ATOM
1715
O
THR
407
16.076
59.955
80.078
1.00
10.13

ATOM
1716
N
ALA
408
14.445
58.539
79.500
1.00
9.86

ATOM
1717
H
ALA
408
14.056
57.662
79.573
1.00
0.00

ATOM
1718
CA
ALA
408
13.718
59.566
78.744
1.00
9.33

ATOM
1719
CB
ALA
408
12.465
58.939
78.127
1.00
10.37

ATOM
1720
C
ALA
408
13.292
60.704
79.640
1.00
10.07

ATOM
1721
O
ALA
408
12.984
60.480
80.805
1.00
9.61

ATOM
1722
N
PRO
409
13.198
61.913
79.077
1.00
10.63

ATOM
1723
CD
PRO
409
13.575
62.330
77.706
1.00
11.82

ATOM
1724
CA
PRO
409
12.791
63.079
79.881
1.00
12.32

ATOM
1725
CB
PRO
409
12.689
64.185
78.837
1.00
12.27

ATOM
1726
CG
PRO
409
13.791
63.853
77.886
1.00
13.12

ATOM
1727
C
PRO
409
11.497
62.906
80.643
1.00
11.72

ATOM
1728
O
PRO
409
11.425
63.271
81.807
1.00
12.12

ATOM
1729
N
GLU
410
10.460
62.394
79.989
1.00
11.64

ATOM
1730
H
GLU
410
10.569
62.124
79.053
1.00
0.00

ATOM
1731
CA
GLU
410
9.169
62.201
80.675
1.00
12.82

ATOM
1732
CB
GLU
410
8.100
61.709
79.705
1.00
13.13

ATOM
1733
CG
GLU
410
8.302
60.285
79.208
1.00
14.50

ATOM
1734
CD
GLU
410
9.158
60.157
77.949
1.00
14.16

ATOM
1735
OE1
GLU
410
9.883
61.116
77.527
1.00
13.49

ATOM
1736
OE2
GLU
410
9.065
59.066
77.349
1.00
12.30

ATOM
1737
C
GLU
410
9.271
61.294
81.893
1.00
13.03

ATOM
1738
O
GLU
410
8.546
61.457
82.882
1.00
12.80

ATOM
1739
N
ALA
411
10.166
60.309
81.848
1.00
12.07

ATOM
1740
H
ALA
411
10.709
60.180
81.049
1.00
0.00

ATOM
1741
CA
ALA
411
10.349
59.452
82.995
1.00
13.48

ATOM
1742
CB
ALA
411
11.013
58.115
82.544
1.00
11.89

ATOM
1743
C
ALA
411
11.148
60.152
84.098
1.00
13.86

ATOM
1744
O
ALA
411
10.810
60.060
85.261
1.00
14.48

ATOM
1745
N
ILE
412
12.181
60.902
83.730
1.00
14.47

ATOM
1746
H
ILE
412
12.449
60.948
82.784
1.00
0.00

ATOM
1747
CA
ILE
412
12.948
61.654
84.744
1.00
14.35

ATOM
1748
CB
ILE
412
14.113
62.409
84.064
1.00
14.57

ATOM
1749
CG2
ILE
412
14.727
63.480
85.056
1.00
13.67

ATOM
1750
CG1
ILE
412
15.170
61.407
83.604
1.00
14.89

ATOM
1751
CD1
ILE
412
16.276
62.054
82.716
1.00
14.65

ATOM
1752
C
ILE
412
12.055
62.706
85.440
1.00
14.72

ATOM
1753
O
ILE
412
12.011
62.786
86.680
1.00
14.64

ATOM
1754
N
ASN
413
11.264
63.399
84.631
1.00
14.43

ATOM
1755
H
ASN
413
11.230
63.156
83.690
1.00
0.00

ATOM
1756
CA
ASN
413
10.414
64.489
85.121
1.00
15.79

ATOM
1757
CB
ASN
413
10.114
65.441
83.970
1.00
14.72

ATOM
1758
CG
ASN
413
11.378
66.139
83.446
1.00
15.01

ATOM
1759
OD1
ASN
413
12.294
66.321
84.194
1.00
17.88

ATOM
1760
ND2
ASN
413
11.434
66.458
82.163
1.00
16.83

ATOM
1761
HD21
ASN
413
10.665
66.243
81.576
1.00
0.00

ATOM
1762
HD22
ASN
413
12.214
66.918
81.835
1.00
0.00

ATOM
1763
C
ASN
413
9.123
64.113
85.824
1.00
16.85

ATOM
1764
O
ASN
413
8.785
64.680
86.890
1.00
17.54

ATOM
1765
N
TYR
414
8.403
63.169
85.228
1.00
17.67

ATOM
1766
H
TYR
414
8.738
62.752
84.418
1.00
0.00

ATOM
1767
CA
TYR
414
7.107
62.737
85.758
1.00
17.90

ATOM
1768
CB
TYR
414
6.048
62.839
84.688
1.00
19.12

ATOM
1769
CG
TYR
414
6.139
64.092
83.865
1.00
20.66

ATOM
1770
CD1
TYR
414
6.223
65.333
84.472
1.00
22.51

ATOM
1771
CE1
TYR
414
6.327
66.490
83.720
1.00
22.39

ATOM
1772
CD2
TYR
414
6.149
64.043
82.495
1.00
21.40

ATOM
1773
CE2
TYR
414
6.247
65.200
81.720
1.00
22.03

ATOM
1774
CZ
TYR
414
6.336
66.425
82.358
1.00
23.14

ATOM
1775
OH
TYR
414
6.444
67.606
81.635
1.00
25.51

ATOM
1776
HH
TYR
414
6.465
68.348
82.243
1.00
0.00

ATOM
1777
C
TYR
414
7.038
61.353
86.348
1.00
17.97

ATOM
1778
O
TYR
414
6.048
61.020
87.011
1.00
18.36

ATOM
1779
N
GLY
415
8.045
60.530
86.081
1.00
16.60

ATOM
1780
H
GLY
415
8.790
60.830
85.527
1.00
0.00

ATOM
1781
CA
GLY
415
8.034
59.166
86.595
1.00
16.06

ATOM
1782
C
GLY
415
7.196
58.284
85.676
1.00
15.74

ATOM
1783
O
GLY
415
6.907
57.111
86.023
1.00
16.26

ATOM
1784
N
THR
416
6.808
58.837
84.532
1.00
14.68

ATOM
1785
H
THR
416
7.093
59.754
84.321
1.00
0.00

ATOM
1786
CA
THR
416
5.973
58.145
83.554
1.00
15.57

ATOM
1787
CB
THR
416
5.028
59.079
82.786
1.00
17.57

ATOM
1788
OG1
THR
416
5.779
60.132
82.169
1.00
19.26

ATOM
1789
HG1
THR
416
6.231
60.639
82.836
1.00
0.00

ATOM
1790
CG2
THR
416
3.995
59.699
83.736
1.00
19.13

ATOM
1791
C
THR
416
6.800
57.401
82.524
1.00
14.21

ATOM
1792
O
THR
416
7.593
57.995
81.760
1.00
15.67

ATOM
1793
N
PHE
417
6.511
56.115
82.405
1.00
12.09

ATOM
1794
H
PHE
417
5.818
55.722
82.957
1.00
0.00

ATOM
1795
CA
PHE
417
7.231
55.271
81.441
1.00
11.30

ATOM
1796
CB
PHE
417
7.924
54.118
82.168
1.00
11.23

ATOM
1797
CG
PHE
417
9.090
54.535
82.997
1.00
10.41

ATOM
1798
CD1
PHE
417
8.916
54.991
84.293
1.00
9.97

ATOM
1799
CD2
PHE
417
10.388
54.409
82.486
1.00
9.23

ATOM
1800
CE1
PHE
417
10.009
55.309
85.091
1.00
12.35

ATOM
1801
CE2
PHE
417
11.462
54.713
83.243
1.00
9.51

ATOM
1802
CZ
PHE
417
11.311
55.166
84.558
1.00
9.78

ATOM
1803
C
PHE
417
6.300
54.610
80.450
1.00
11.10

ATOM
1804
O
PHE
417
5.198
54.172
80.821
1.00
11.90

ATOM
1805
N
THR
418
6.715
54.593
79.183
1.00
10.15

ATOM
1806
H
THR
418
7.525
55.089
78.952
1.00
0.00

ATOM
1807
CA
THR
418
5.982
53.852
78.127
1.00
9.74

ATOM
1808
CB
THR
418
5.140
54.725
77.164
1.00
10.54

ATOM
1809
OG1
THR
418
5.972
55.497
76.304
1.00
12.41

ATOM
1810
HG1
THR
418
6.542
54.913
75.812
1.00
0.00

ATOM
1811
CG2
THR
418
4.244
55.659
77.943
1.00
12.42

ATOM
1812
C
THR
418
7.019
53.150
77.269
1.00
8.07

ATOM
1813
O
THR
418
8.245
53.304
77.522
1.00
8.89

ATOM
1814
N
ILE
419
6.569
52.350
76.289
1.00
7.32

ATOM
1815
H
ILE
419
5.621
52.202
76.165
1.00
0.00

ATOM
1816
CA
ILE
419
7.551
51.741
75.415
1.00
6.24

ATOM
1817
CB
ILE
419
6.871
50.730
74.410
1.00
6.09

ATOM
1818
CG2
ILE
419
6.082
51.511
73.346
1.00
5.86

ATOM
1819
CG1
ILE
419
7.893
49.841
73.669
1.00
6.62

ATOM
1820
CD1
ILE
419
8.604
48.853
74.599
1.00
7.43

ATOM
1821
C
ILE
419
8.387
52.838
74.702
1.00
6.54

ATOM
1822
O
ILE
419
9.534
52.607
74.300
1.00
6.86

ATOM
1823
N
LYS
420
7.813
54.056
74.546
1.00
7.02

ATOM
1824
H
LYS
420
6.898
54.194
74.832
1.00
0.00

ATOM
1825
CA
LYS
420
8.559
55.133
73.922
1.00
5.39

ATOM
1826
CB
LYS
420
7.616
56.295
73.620
1.00
6.87

ATOM
1827
CG
LYS
420
6.565
55.987
72.532
1.00
7.82

ATOM
1828
CD
LYS
420
7.083
55.455
71.200
1.00
7.78

ATOM
1829
CE
LYS
420
5.959
55.208
70.159
1.00
8.97

ATOM
1830
NZ
LYS
420
6.486
54.574
68.971
1.00
10.61

ATOM
1831
HZ1
LYS
420
6.912
53.650
69.230
1.00
0.00

ATOM
1832
HZ2
LYS
420
7.218
55.159
68.535
1.00
0.00

ATOM
1833
HZ3
LYS
420
5.725
54.392
68.287
1.00
0.00

ATOM
1834
C
LYS
420
9.739
55.639
74.781
1.00
5.31

ATOM
1835
O
LYS
420
10.681
56.226
74.222
1.00
5.39

ATOM
1836
N
SER
421
9.680
55.442
76.096
0.84
3.40

ATOM
1837
H
SER
421
8.867
55.039
76.461
1.00
0.00

ATOM
1838
CA
SER
421
10.775
55.769
77.032
0.84
4.39

ATOM
1839
CB
SER
421
10.275
55.628
78.498
0.84
6.53

ATOM
1840
OG
SER
421
9.071
56.399
78.631
0.84
8.78

ATOM
1841
HG
SER
421
9.278
57.326
78.452
1.00
0.00

ATOM
1842
C
SER
421
11.898
54.774
76.723
0.84
4.17

ATOM
1843
O
SER
421
13.080
55.127
76.738
0.84
4.10

ATOM
1844
N
ASP
422
11.518
53.528
76.443
1.00
5.50

ATOM
1845
H
ASP
422
10.584
53.272
76.460
1.00
0.00

ATOM
1846
CA
ASP
422
12.551
52.540
76.115
1.00
4.75

ATOM
1847
CB
ASP
422
11.990
51.100
76.040
1.00
6.52

ATOM
1848
CG
ASP
422
11.724
50.489
77.392
1.00
7.22

ATOM
1849
OD1
ASP
422
12.227
50.919
78.460
1.00
7.55

ATOM
1850
OD2
ASP
422
10.893
49.543
77.380
1.00
9.72

ATOM
1851
C
ASP
422
13.207
52.883
74.792
1.00
4.30

ATOM
1852
O
ASP
422
14.360
52.585
74.579
1.00
4.83

ATOM
1853
N
VAL
423
12.452
53.444
73.844
1.00
2.28

ATOM
1854
H
VAL
423
11.503
53.580
74.014
1.00
0.00

ATOM
1855
CA
VAL
423
12.995
53.847
72.548
1.00
3.14

ATOM
1856
CB
VAL
423
11.870
54.339
71.631
1.00
4.31

ATOM
1857
CG1
VAL
423
12.411
55.008
70.401
1.00
4.11

ATOM
1858
CG2
VAL
423
11.022
53.087
71.158
1.00
3.98

ATOM
1859
C
VAL
423
14.065
54.930
72.776
1.00
3.64

ATOM
1860
O
VAL
423
15.079
54.888
72.121
1.00
3.31

ATOM
1861
N
TRP
424
13.786
55.881
73.692
1.00
3.87

ATOM
1862
H
TRP
424
12.905
55.865
74.141
1.00
0.00

ATOM
1863
CA
TRP
424
14.793
56.897
74.008
1.00
4.26

ATOM
1864
CB
TRP
424
14.230
57.847
75.110
1.00
4.58

ATOM
1865
CG
TRP
424
15.218
58.908
75.524
1.00
5.10

ATOM
1866
CD2
TRP
424
15.190
60.294
75.147
1.00
5.67

ATOM
1867
CE2
TRP
424
16.342
60.888
75.701
1.00
5.11

ATOM
1868
CE3
TRP
424
14.271
61.078
74.416
1.00
5.52

ATOM
1869
CD1
TRP
424
16.339
58.728
76.275
1.00
5.45

ATOM
1870
NE1
TRP
424
17.025
59.928
76.388
1.00
6.04

ATOM
1871
HE1
TRP
424
17.870
60.056
76.863
1.00
0.00

ATOM
1872
CZ2
TRP
424
16.629
62.268
75.548
1.00
4.89

ATOM
1873
CZ3
TRP
424
14.539
62.462
74.268
1.00
5.83

ATOM
1874
CH2
TRP
424
15.722
63.031
74.842
1.00
6.03

ATOM
1875
C
TRP
424
16.085
56.161
74.467
1.00
4.03

ATOM
1876
O
TRP
424
17.190
56.513
74.008
1.00
3.83

ATOM
1877
N
SER
425
15.925
55.282
75.435
0.74
2.00

ATOM
1878
H
SER
425
15.019
55.122
75.789
1.00
0.00

ATOM
1879
CA
SER
425
17.053
54.556
76.005
0.74
2.00

ATOM
1880
CB
SER
425
16.530
53.590
77.044
0.74
2.00

ATOM
1881
OG
SER
425
15.918
54.259
78.131
0.74
3.21

ATOM
1882
HG
SER
425
15.179
54.793
77.793
1.00
0.00

ATOM
1883
C
SER
425
17.818
53.835
74.915
0.74
2.61

ATOM
1884
O
SER
425
19.051
53.752
74.965
0.74
2.00

ATOM
1885
N
PHE
426
17.094
53.193
73.991
1.00
3.61

ATOM
1886
H
PHE
426
16.127
53.188
74.079
1.00
0.00

ATOM
1887
CA
PHE
426
17.736
52.496
72.870
1.00
3.25

ATOM
1888
CB
PHE
426
16.676
51.897
71.952
1.00
3.78

ATOM
1889
CG
PHE
426
17.238
51.086
70.836
1.00
2.99

ATOM
1890
CD1
PHE
426
17.786
49.829
71.097
1.00
3.53

ATOM
1891
CD2
PHE
426
17.250
51.580
69.532
1.00
3.33

ATOM
1892
CE1
PHE
426
18.341
49.085
70.044
1.00
3.60

ATOM
1893
CE2
PHE
426
17.809
50.846
68.476
1.00
4.33

ATOM
1894
CZ
PHE
426
18.369
49.551
68.755
1.00
2.26

ATOM
1895
C
PHE
426
18.651
53.445
72.081
1.00
4.19

ATOM
1896
O
PHE
426
19.742
53.059
71.648
1.00
4.20

ATOM
1897
N
GLY
427
18.198
54.674
71.882
1.00
3.62

ATOM
1898
H
GLY
427
17.307
54.940
72.200
1.00
0.00

ATOM
1899
CA
GLY
427
19.084
55.593
71.185
1.00
4.54

ATOM
1900
C
GLY
427
20.399
55.766
71.964
1.00
2.74

ATOM
1901
O
GLY
427
21.434
55.911
71.318
1.00
3.03

ATOM
1902
N
ILE
428
20.319
55.912
73.279
1.00
2.87

ATOM
1903
H
ILE
428
19.437
55.901
73.706
1.00
0.00

ATOM
1904
CA
ILE
428
21.504
56.074
74.098
1.00
2.59

ATOM
1905
CB
ILE
428
21.141
56.366
75.562
1.00
3.04

ATOM
1906
CG2
ILE
428
22.405
56.537
76.405
1.00
4.80

ATOM
1907
CG1
ILE
428
20.191
57.589
75.641
1.00
3.89

ATOM
1908
CD1
ILE
428
20.795
58.952
75.169
1.00
5.08

ATOM
1909
C
ILE
428
22.326
54.782
73.967
1.00
4.70

ATOM
1910
O
ILE
428
23.565
54.797
73.895
1.00
4.68

ATOM
1911
N
LEU
429
21.634
53.638
74.001
1.00
3.61

ATOM
1912
H
LEU
429
20.677
53.651
74.121
1.00
0.00

ATOM
1913
CA
LEU
429
22.384
52.370
73.868
1.00
4.69

ATOM
1914
CB
LEU
429
21.388
51.184
74.005
1.00
5.24

ATOM
1915
CG
LEU
429
21.962
49.763
74.217
1.00
7.89

ATOM
1916
CD1
LEU
429
20.803
48.836
74.587
1.00
6.69

ATOM
1917
CD2
LEU
429
22.640
49.187
73.029
1.00
11.59

ATOM
1918
C
LEU
429
23.177
52.328
72.528
1.00
5.16

ATOM
1919
O
LEU
429
24.305
51.787
72.453
1.00
6.28

ATOM
1920
N
LEU
430
22.593
52.823
71.446
1.00
4.85

ATOM
1921
H
LEU
430
21.691
53.201
71.500
1.00
0.00

ATOM
1922
CA
LEU
430
23.267
52.837
70.158
1.00
4.09

ATOM
1923
CB
LEU
430
22.427
53.499
69.089
1.00
4.96

ATOM
1924
CG
LEU
430
21.181
52.736
68.615
1.00
4.92

ATOM
1925
CD1
LEU
430
20.499
53.563
67.511
1.00
5.50

ATOM
1926
CD2
LEU
430
21.616
51.344
68.039
1.00
5.64

ATOM
1927
C
LEU
430
24.603
53.638
70.329
1.00
5.14

ATOM
1928
O
LEU
430
25.588
53.283
69.729
1.00
4.63

ATOM
1929
N
THR
431
24.631
54.686
71.143
1.00
4.15

ATOM
1930
H
THR
431
23.820
54.932
71.629
1.00
0.00

ATOM
1931
CA
THR
431
25.907
55.419
71.331
1.00
4.99

ATOM
1932
CB
THR
431
25.775
56.788
72.128
1.00
3.81

ATOM
1933
OG1
THR
431
25.535
56.607
73.521
1.00
5.06

ATOM
1934
HG1
THR
431
26.285
56.125
73.912
1.00
0.00

ATOM
1935
CG2
THR
431
24.682
57.599
71.511
1.00
5.88

ATOM
1936
C
THR
431
26.916
54.513
72.030
1.00
5.33

ATOM
1937
O
THR
431
28.093
54.577
71.725
1.00
6.80

ATOM
1938
N
GLU
432
26.460
53.731
72.981
1.00
4.68

ATOM
1939
H
GLU
432
25.506
53.772
73.212
1.00
0.00

ATOM
1940
CA
GLU
432
27.364
52.789
73.682
1.00
5.06

ATOM
1941
CB
GLU
432
26.667
52.087
74.838
1.00
5.36

ATOM
1942
CG
GLU
432
26.109
52.989
75.912
1.00
5.97

ATOM
1943
CD
GLU
432
25.472
52.155
76.997
1.00
7.12

ATOM
1944
OE1
GLU
432
24.291
51.757
76.844
1.00
7.06

ATOM
1945
OE2
GLU
432
26.173
51.808
77.959
1.00
9.86

ATOM
1946
C
GLU
432
27.937
51.795
72.693
1.00
5.32

ATOM
1947
O
GLU
432
29.106
51.418
72.820
1.00
6.10

ATOM
1948
N
ILE
433
27.142
51.324
71.755
1.00
5.34

ATOM
1949
H
ILE
433
26.222
51.617
71.690
1.00
0.00

ATOM
1950
CA
ILE
433
27.658
50.357
70.802
1.00
6.31

ATOM
1951
CB
ILE
433
26.526
49.749
69.990
1.00
6.14

ATOM
1952
CG2
ILE
433
27.062
49.005
68.759
1.00
8.93

ATOM
1953
CG1
ILE
433
25.675
48.945
70.934
1.00
7.33

ATOM
1954
CD1
ILE
433
24.435
48.475
70.211
1.00
7.92

ATOM
1955
C
ILE
433
28.729
50.918
69.892
1.00
7.78

ATOM
1956
O
ILE
433
29.844
50.386
69.783
1.00
8.65

ATOM
1957
N
VAL
434
28.471
52.097
69.358
1.00
7.33

ATOM
1958
H
VAL
434
27.642
52.564
69.591
1.00
0.00

ATOM
1959
CA
VAL
434
29.398
52.699
68.407
1.00
10.01

ATOM
1960
CB
VAL
434
28.641
53.800
67.535
1.00
11.32

ATOM
1961
CG1
VAL
434
28.540
55.063
68.298
1.00
12.92

ATOM
1962
CG2
VAL
434
29.302
53.940
66.124
1.00
14.45

ATOM
1963
C
VAL
434
30.685
53.258
69.077
1.00
8.29

ATOM
1964
O
VAL
434
31.717
53.362
68.411
1.00
10.84

ATOM
1965
N
THR
435
30.662
53.505
70.374
1.00
8.17

ATOM
1966
H
THR
435
29.839
53.362
70.876
1.00
0.00

ATOM
1967
CA
THR
435
31.862
54.008
71.060
1.00
9.24

ATOM
1968
CB
THR
435
31.531
55.127
72.051
1.00
8.60

ATOM
1969
OG1
THR
435
30.671
54.649
73.101
1.00
9.12

ATOM
1970
HG1
THR
435
30.469
55.385
73.698
1.00
0.00

ATOM
1971
CG2
THR
435
30.850
56.305
71.301
1.00
9.20

ATOM
1972
C
THR
435
32.545
52.895
71.865
1.00
10.34

ATOM
1973
O
THR
435
33.336
53.175
72.766
1.00
10.87

ATOM
1974
N
HIS
436
32.180
51.642
71.590
1.00
10.82

ATOM
1975
H
HIS
436
31.537
51.471
70.873
1.00
0.00

ATOM
1976
CA
HIS
436
32.744
50.530
72.347
1.00
11.46

ATOM
1977
CB
HIS
436
34.154
50.167
71.849
1.00
15.05

ATOM
1978
CG
HIS
436
34.179
49.627
70.461
1.00
16.72

ATOM
1979
CD2
HIS
436
34.109
50.254
69.243
1.00
18.23

ATOM
1980
ND1
HIS
436
34.283
48.283
70.183
1.00
18.71

ATOM
1981
HD1
HIS
436
34.338
47.562
70.852
1.00
0.00

ATOM
1982
CE1
HIS
436
34.284
48.090
68.872
1.00
17.96

ATOM
1983
NE2
HIS
436
34.177
49.279
68.287
1.00
19.69

ATOM
1984
HE2
HIS
436
34.183
49.421
67.315
1.00
0.00

ATOM
1985
C
HIS
436
32.630
50.659
73.865
1.00
10.91

ATOM
1986
O
HIS
436
33.569
50.410
74.667
1.00
12.67

ATOM
1987
N
GLY
437
31.418
51.025
74.291
1.00
9.46

ATOM
1988
H
GLY
437
30.733
51.246
73.653
1.00
0.00

ATOM
1989
CA
GLY
437
31.120
51.097
75.702
1.00
9.96

ATOM
1990
C
GLY
437
31.404
52.372
76.462
1.00
9.49

ATOM
1991
O
GLY
437
31.325
52.346
77.682
1.00
11.99

ATOM
1992
N
ARG
438
31.665
53.481
75.758
0.58
7.77

ATOM
1993
H
ARG
438
31.690
53.422
74.773
1.00
0.00

ATOM
1994
CA
ARG
438
31.923
54.759
76.429
0.58
8.40

ATOM
1995
CB
ARG
438
32.404
55.805
75.404
0.58
8.52

ATOM
1996
CG
ARG
438
33.030
57.083
75.974
0.58
11.45

ATOM
1997
CD
ARG
438
33.486
58.066
74.874
0.58
12.12

ATOM
1998
NE
ARG
438
34.280
59.175
75.424
0.58
15.11

ATOM
1999
HE
ARG
438
34.611
59.088
76.334
1.00
0.00

ATOM
2000
CZ
ARG
438
34.590
60.280
74.744
0.58
16.05

ATOM
2001
NH1
ARG
438
34.178
60.439
73.497
0.58
17.29

ATOM
2002
HH11
ARG
438
33.631
59.718
73.051
1.00
0.00

ATOM
2003
HH12
ARG
438
34.407
61.263
72.984
1.00
0.00

ATOM
2004
NH2
ARG
438
35.305
61.241
75.310
0.58
18.16

ATOM
2005
HH21
ARG
438
35.597
61.150
76.254
1.00
0.00

ATOM
2006
HH22
ARG
438
35.513
62.069
74.786
1.00
0.00

ATOM
2007
C
ARG
438
30.638
55.243
77.108
0.58
7.24

ATOM
2008
O
ARG
438
29.530
54.895
76.655
0.58
6.64

ATOM
2009
N
ILE
439
30.788
56.029
78.180
1.00
8.97

ATOM
2010
H
ILE
439
31.697
56.242
78.475
1.00
0.00

ATOM
2011
CA
ILE
439
29.652
56.580
78.934
1.00
7.88

ATOM
2012
CB
ILE
439
30.127
57.170
80.287
1.00
11.18

ATOM
2013
CG2
ILE
439
29.026
58.024
80.928
1.00
12.03

ATOM
2014
CG1
ILE
439
30.520
56.025
81.211
1.00
11.96

ATOM
2015
CD1
ILE
439
30.889
56.512
82.575
1.00
16.69

ATOM
2016
C
ILE
439
29.019
57.675
78.071
1.00
6.45

ATOM
2017
O
ILE
439
29.737
58.458
77.417
1.00
8.58

ATOM
2018
N
PRO
440
27.679
57.686
77.963
0.43
2.25

ATOM
2019
CD
PRO
440
26.708
56.716
78.495
0.43
2.56

ATOM
2020
CA
PRO
440
27.017
58.710
77.139
0.43
2.00

ATOM
2021
CB
PRO
440
25.524
58.333
77.243
0.43
2.00

ATOM
2022
CG
PRO
440
25.420
57.491
78.427
0.43
3.05

ATOM
2023
C
PRO
440
27.283
60.131
77.622
0.43
2.00

ATOM
2024
O
PRO
440
27.587
60.341
78.809
0.43
2.00

ATOM
2025
N
TYR
441
27.115
61.092
76.706
1.00
6.28

ATOM
2026
H
TYR
441
26.831
60.842
75.803
1.00
0.00

ATOM
2027
CA
TYR
441
27.326
62.520
77.049
1.00
7.84

ATOM
2028
CB
TYR
441
26.252
63.053
77.985
1.00
7.07

ATOM
2029
CG
TYR
441
24.850
62.862
77.431
1.00
5.21

ATOM
2030
CD1
TYR
441
24.301
63.763
76.504
1.00
5.50

ATOM
2031
CE1
TYR
441
22.974
63.602
76.058
1.00
5.71

ATOM
2032
CD2
TYR
441
24.055
61.788
77.859
1.00
6.20

ATOM
2033
CE2
TYR
441
22.764
61.625
77.394
1.00
4.20

ATOM
2034
CZ
TYR
441
22.220
62.538
76.516
1.00
5.80

ATOM
2035
OH
TYR
441
20.911
62.422
76.164
1.00
4.13

ATOM
2036
HH
TYR
441
20.531
61.671
76.616
1.00
0.00

ATOM
2037
C
TYR
441
28.682
62.737
77.679
1.00
10.50

ATOM
2038
O
TYR
441
28.786
63.196
78.818
1.00
9.67

ATOM
2039
N
PRO
442
29.724
62.483
76.898
1.00
11.93

ATOM
2040
CD
PRO
442
29.751
62.094
75.473
1.00
12.53

ATOM
2041
CA
PRO
442
31.074
62.657
77.425
1.00
14.05

ATOM
2042
CB
PRO
442
31.962
62.268
76.249
1.00
14.29

ATOM
2043
CG
PRO
442
31.118
61.497
75.363
1.00
13.87

ATOM
2044
C
PRO
442
31.424
64.044
77.967
1.00
13.17

ATOM
2045
O
PRO
442
31.135
65.088
77.356
1.00
14.67

ATOM
2046
N
GLY
443
31.980
64.003
79.166
1.00
14.90

ATOM
2047
H
GLY
443
32.060
63.141
79.622
1.00
0.00

ATOM
2048
CA
GLY
443
32.438
65.214
79.838
1.00
14.50

ATOM
2049
C
GLY
443
31.325
66.026
80.453
1.00
15.21

ATOM
2050
O
GLY
443
31.535
67.204
80.844
1.00
15.80

ATOM
2051
N
MET
444
30.152
65.405
80.572
1.00
13.04

ATOM
2052
H
MET
444
30.072
64.473
80.280
1.00
0.00

ATOM
2053
CA
MET
444
29.011
66.110
81.133
1.00
12.08

ATOM
2054
CB
MET
444
27.904
66.247
80.081
1.00
12.69

ATOM
2055
CG
MET
444
28.365
66.809
78.745
1.00
14.01

ATOM
2056
SD
MET
444
27.083
66.990
77.487
1.00
13.68

ATOM
2057
CE
MET
444
25.864
67.933
78.292
1.00
13.90

ATOM
2058
C
MET
444
28.428
65.477
82.376
1.00
11.03

ATOM
2059
O
MET
444
28.302
64.250
82.459
1.00
11.68

ATOM
2060
N
THR
445
28.069
66.325
83.341
1.00
9.53

ATOM
2061
H
THR
445
28.272
67.272
83.235
1.00
0.00

ATOM
2062
CA
THR
445
27.399
65.870
84.550
1.00
9.56

ATOM
2063
CB
THR
445
27.493
66.906
85.671
1.00
11.45

ATOM
2064
OG1
THR
445
26.787
68.112
85.278
1.00
11.07

ATOM
2065
HG1
THR
445
27.181
68.455
84.470
1.00
0.00

ATOM
2066
CG2
THR
445
28.985
67.231
85.975
1.00
13.08

ATOM
2067
C
THR
445
25.901
65.711
84.260
1.00
8.59

ATOM
2068
O
THR
445
25.408
66.221
83.254
1.00
8.79

ATOM
2069
N
ASN
446
25.168
65.098
85.182
1.00
9.38

ATOM
2070
H
ASN
446
25.593
64.726
85.988
1.00
0.00

ATOM
2071
CA
ASN
446
23.726
64.966
84.978
1.00
10.56

ATOM
2072
CB
ASN
446
23.111
64.095
86.052
1.00
12.38

ATOM
2073
CG
ASN
446
23.480
62.637
85.888
1.00
13.78

ATOM
2074
OD1
ASN
446
23.862
62.184
84.813
1.00
14.64

ATOM
2075
ND2
ASN
446
23.418
61.909
86.978
1.00
15.96

ATOM
2076
HD21
ASN
446
23.185
62.332
87.802
1.00
0.00

ATOM
2077
HD22
ASN
446
23.635
60.964
86.897
1.00
0.00

ATOM
2078
C
ASN
446
22.986
66.304
84.875
1.00
10.53

ATOM
2079
O
ASN
446
22.121
66.460
84.023
1.00
10.29

ATOM
2080
N
PRO
447
23.348
67.303
85.717
1.00
11.41

ATOM
2081
CD
PRO
447
24.130
67.277
86.969
1.00
11.07

ATOM
2082
CA
PRO
447
22.623
68.576
85.573
1.00
11.37

ATOM
2083
CB
PRO
447
23.188
69.426
86.729
1.00
11.98

ATOM
2084
CG
PRO
447
23.475
68.401
87.765
1.00
12.44

ATOM
2085
C
PRO
447
22.917
69.197
84.199
1.00
11.25

ATOM
2086
O
PRO
447
22.059
69.857
83.602
1.00
10.58

ATOM
2087
N
GLU
448
24.130
69.009
83.690
1.00
10.17

ATOM
2088
H
GLU
448
24.800
68.533
84.219
1.00
0.00

ATOM
2089
CA
GLU
448
24.477
69.552
82.365
1.00
9.24

ATOM
2090
CB
GLU
448
25.978
69.405
82.046
1.00
9.39

ATOM
2091
CG
GLU
448
26.812
70.398
82.851
1.00
12.36

ATOM
2092
CD
GLU
448
28.303
70.227
82.678
1.00
14.85

ATOM
2093
OE1
GLU
448
28.849
69.096
82.698
1.00
12.78

ATOM
2094
OE2
GLU
448
28.988
71.270
82.581
1.00
18.02

ATOM
2095
C
GLU
448
23.670
68.859
81.257
1.00
8.38

ATOM
2096
O
GLU
448
23.216
69.499
80.322
1.00
8.27

ATOM
2097
N
VAL
449
23.482
67.544
81.378
1.00
7.49

ATOM
2098
H
VAL
449
23.883
67.055
82.131
1.00
0.00

ATOM
2099
CA
VAL
449
22.714
66.799
80.376
1.00
6.61

ATOM
2100
CB
VAL
449
22.734
65.268
80.701
1.00
5.82

ATOM
2101
CG1
VAL
449
21.720
64.527
79.865
1.00
7.81

ATOM
2102
CG2
VAL
449
24.134
64.734
80.451
1.00
7.31

ATOM
2103
C
VAL
449
21.285
67.318
80.384
1.00
5.47

ATOM
2104
O
VAL
449
20.748
67.638
79.333
1.00
6.04

ATOM
2105
N
ILE
450
20.725
67.486
81.573
0.60
3.36

ATOM
2106
H
ILE
450
21.259
67.331
82.377
1.00
0.00

ATOM
2107
CA
ILE
450
19.344
67.957
81.702
0.60
4.33

ATOM
2108
CB
ILE
450
18.921
67.934
83.180
0.60
4.13

ATOM
2109
CG2
ILE
450
17.613
68.709
83.354
0.60
4.27

ATOM
2110
CG1
ILE
450
18.739
66.471
83.617
0.60
4.38

ATOM
2111
CD1
ILE
450
18.559
66.309
85.109
0.60
6.27

ATOM
2112
C
ILE
450
19.170
69.350
81.111
0.60
5.04

ATOM
2113
O
ILE
450
18.260
69.601
80.309
0.60
3.63

ATOM
2114
N
GLN
451
20.131
70.208
81.426
1.00
7.77

ATOM
2115
H
GLN
451
20.861
69.891
82.002
1.00
0.00

ATOM
2116
CA
GLN
451
20.122
71.594
80.937
1.00
10.54

ATOM
2117
CB
GLN
451
21.324
72.380
81.561
1.00
14.15

ATOM
2118
CG
GLN
451
21.528
73.883
81.175
1.00
20.16

ATOM
2119
CD
GLN
451
22.760
74.552
81.885
1.00
22.13

ATOM
2120
OE1
GLN
451
22.612
75.605
82.517
1.00
26.32

ATOM
2121
NE2
GLN
451
23.968
73.963
81.736
1.00
25.19

ATOM
2122
HE21
GLN
451
24.064
73.148
81.192
1.00
0.00

ATOM
2123
HE22
GLN
451
24.759
74.379
82.166
1.00
0.00

ATOM
2124
C
GLN
451
20.158
71.595
79.398
1.00
10.44

ATOM
2125
O
GLN
451
19.349
72.280
78.730
1.00
9.35

ATOM
2126
N
ASN
452
21.048
70.798
78.815
1.00
8.81

ATOM
2127
H
ASN
452
21.629
70.238
79.354
1.00
0.00

ATOM
2128
CA
ASN
452
21.198
70.776
77.359
1.00
8.91

ATOM
2129
CB
ASN
452
22.408
69.915
76.974
1.00
12.05

ATOM
2130
CG
ASN
452
23.700
70.670
76.921
1.00
15.97

ATOM
2131
OD1
ASN
452
24.703
70.170
76.339
1.00
21.26

ATOM
2132
ND2
ASN
452
23.708
71.858
77.460
1.00
16.96

ATOM
2133
HD21
ASN
452
22.903
72.231
77.860
1.00
0.00

ATOM
2134
HD22
ASN
452
24.554
72.362
77.417
1.00
0.00

ATOM
2135
C
ASN
452
19.941
70.203
76.681
1.00
7.97

ATOM
2136
O
ASN
452
19.478
70.736
75.669
1.00
7.99

ATOM
2137
N
LEU
453
19.412
69.105
77.224
1.00
7.30

ATOM
2138
H
LEU
453
19.813
68.691
78.019
1.00
0.00

ATOM
2139
CA
LEU
453
18.236
68.533
76.635
1.00
7.09

ATOM
2140
CB
LEU
453
17.793
67.274
77.383
1.00
7.90

ATOM
2141
CG
LEU
453
18.757
66.088
77.240
1.00
7.82

ATOM
2142
CD1
LEU
453
18.258
64.959
78.206
1.00
8.30

ATOM
2143
CD2
LEU
453
18.832
65.579
75.764
1.00
6.41

ATOM
2144
C
LEU
453
17.110
69.560
76.580
1.00
6.46

ATOM
2145
O
LEU
453
16.336
69.581
75.624
1.00
7.59

ATOM
2146
N
GLU
454
16.956
70.305
77.665
1.00
7.77

ATOM
2147
H
GLU
454
17.564
70.200
78.417
1.00
0.00

ATOM
2148
CA
GLU
454
15.883
71.291
77.719
1.00
9.34

ATOM
2149
CB
GLU
454
15.706
71.786
79.152
1.00
12.04

ATOM
2150
CG
GLU
454
15.054
70.656
79.968
1.00
17.04

ATOM
2151
CD
GLU
454
14.908
70.931
81.436
1.00
21.47

ATOM
2152
OE1
GLU
454
15.423
71.959
81.918
1.00
23.68

ATOM
2153
OE2
GLU
454
14.257
70.098
82.113
1.00
22.13

ATOM
2154
C
GLU
454
16.008
72.408
76.729
1.00
9.43

ATOM
2155
O
GLU
454
14.988
73.045
76.413
1.00
10.25

ATOM
2156
N
ARG
455
17.225
72.647
76.240
1.00
8.46

ATOM
2157
H
ARG
455
17.979
72.143
76.580
1.00
0.00

ATOM
2158
CA
ARG
455
17.474
73.668
75.208
1.00
7.95

ATOM
2159
CB
ARG
455
18.952
74.159
75.219
1.00
9.51

ATOM
2160
CG
ARG
455
19.395
74.768
76.525
1.00
11.91

ATOM
2161
CD
ARG
455
20.827
75.305
76.457
1.00
12.88

ATOM
2162
NE
ARG
455
20.908
76.335
75.408
1.00
10.71

ATOM
2163
HE
ARG
455
20.106
76.545
74.935
1.00
0.00

ATOM
2164
CZ
ARG
455
22.038
76.973
75.060
1.00
10.70

ATOM
2165
NH1
ARG
455
23.215
76.666
75.617
1.00
11.36

ATOM
2166
HH11
ARG
455
23.266
75.965
76.330
1.00
0.00

ATOM
2167
HH12
ARG
455
24.039
77.158
75.346
1.00
0.00

ATOM
2168
NH2
ARG
455
21.945
78.048
74.293
1.00
7.80

ATOM
2169
HH21
ARG
455
21.046
78.355
73.986
1.00
0.00

ATOM
2170
HH22
ARG
455
22.769
78.538
74.007
1.00
0.00

ATOM
2171
C
ARG
455
17.179
73.119
73.811
1.00
7.19

ATOM
2172
O
ARG
455
17.216
73.811
72.829
1.00
7.14

ATOM
2173
N
GLY
456
16.969
71.797
73.694
1.00
6.37

ATOM
2174
H
GLY
456
16.986
71.232
74.489
1.00
0.00

ATOM
2175
CA
GLY
456
16.732
71.194
72.404
1.00
6.14

ATOM
2176
C
GLY
456
17.969
70.497
71.856
1.00
5.95

ATOM
2177
O
GLY
456
17.942
69.907
70.766
1.00
7.78

ATOM
2178
N
TYR
457
19.042
70.542
72.619
1.00
5.47

ATOM
2179
H
TYR
457
19.023
71.005
73.485
1.00
0.00

ATOM
2180
CA
TYR
457
20.256
69.856
72.151
1.00
5.37

ATOM
2181
CB
TYR
457
21.503
70.284
72.933
1.00
5.38

ATOM
2182
CG
TYR
457
21.979
71.718
72.715
1.00
6.50

ATOM
2183
CD1
TYR
457
21.495
72.490
71.683
1.00
7.95

ATOM
2184
CE1
TYR
457
21.991
73.794
71.454
1.00
8.83

ATOM
2185
CD2
TYR
457
22.957
72.246
73.530
1.00
8.19

ATOM
2186
CE2
TYR
457
23.470
73.538
73.317
1.00
9.65

ATOM
2187
CZ
TYR
457
22.980
74.293
72.276
1.00
8.91

ATOM
2188
OH
TYR
457
23.541
75.554
72.010
1.00
9.80

ATOM
2189
HH
TYR
457
23.086
75.971
71.281
1.00
0.00

ATOM
2190
C
TYR
457
20.098
68.387
72.439
1.00
5.41

ATOM
2191
O
TYR
457
19.297
68.006
73.292
1.00
6.17

ATOM
2192
N
ARG
458
20.858
67.586
71.693
1.00
4.55

ATOM
2193
H
ARG
458
21.374
67.973
70.938
1.00
0.00

ATOM
2194
CA
ARG
458
20.935
66.138
71.975
1.00
4.84

ATOM
2195
CB
ARG
458
20.254
65.327
70.888
1.00
3.99

ATOM
2196
CG
ARG
458
18.701
65.543
70.874
1.00
4.20

ATOM
2197
CD
ARG
458
18.037
65.155
72.167
1.00
5.10

ATOM
2198
NE
ARG
458
16.566
65.315
72.102
1.00
5.88

ATOM
2199
HE
ARG
458
16.065
64.635
71.605
1.00
0.00

ATOM
2200
CZ
ARG
458
15.875
66.325
72.647
1.00
7.42

ATOM
2201
NH1
ARG
458
16.516
67.326
73.280
1.00
7.90

ATOM
2202
HH11
ARG
458
17.507
67.309
73.327
1.00
0.00

ATOM
2203
HH12
ARG
458
15.995
68.070
73.677
1.00
0.00

ATOM
2204
NH2
ARG
458
14.532
66.252
72.649
1.00
7.34

ATOM
2205
HH21
ARG
458
14.066
65.468
72.248
1.00
0.00

ATOM
2206
HH22
ARG
458
13.996
66.998
73.052
1.00
0.00

ATOM
2207
C
ARG
458
22.412
65.805
72.031
1.00
6.43

ATOM
2208
O
ARG
458
23.290
66.676
71.861
1.00
7.40

ATOM
2209
N
MET
459
22.712
64.543
72.353
1.00
5.51

ATOM
2210
H
MET
459
22.005
63.887
72.532
1.00
0.00

ATOM
2211
CA
MET
459
24.111
64.152
72.485
1.00
5.95

ATOM
2212
CB
MET
459
24.216
62.643
72.743
1.00
6.59

ATOM
2213
CG
MET
459
25.571
62.339
73.338
1.00
7.84

ATOM
2214
SD
MET
459
25.818
60.536
73.560
1.00
6.28

ATOM
2215
CE
MET
459
24.337
60.011
74.326
1.00
6.82

ATOM
2216
C
MET
459
24.932
64.502
71.235
1.00
5.23

ATOM
2217
O
MET
459
24.508
64.251
70.107
1.00
5.48

ATOM
2218
N
VAL
460
26.145
65.055
71.436
1.00
5.55

ATOM
2219
H
VAL
460
26.446
65.223
72.340
1.00
0.00

ATOM
2220
CA
VAL
460
27.027
65.394
70.348
1.00
7.12

ATOM
2221
CB
VAL
460
28.303
66.024
70.947
1.00
7.96

ATOM
2222
CG1
VAL
460
29.437
66.112
69.917
1.00
9.36

ATOM
2223
CG2
VAL
460
27.916
67.395
71.546
1.00
9.72

ATOM
2224
C
VAL
460
27.385
64.139
69.536
1.00
6.92

ATOM
2225
O
VAL
460
27.514
63.072
70.135
1.00
7.43

ATOM
2226
N
ARG
461
27.522
64.250
68.228
1.00
7.25

ATOM
2227
H
ARG
461
27.347
65.105
67.790
1.00
0.00

ATOM
2228
CA
ARG
461
27.914
63.079
67.409
1.00
6.83

ATOM
2229
CB
ARG
461
28.282
63.474
65.983
1.00
7.15

ATOM
2230
CG
ARG
461
27.117
64.029
65.198
1.00
7.70

ATOM
2231
CD
ARG
461
27.573
64.576
63.843
1.00
8.56

ATOM
2232
NE
ARG
461
26.394
64.870
63.034
1.00
8.40

ATOM
2233
HE
ARG
461
26.059
64.166
62.465
1.00
0.00

ATOM
2234
CZ
ARG
461
25.742
66.033
63.030
1.00
9.86

ATOM
2235
NH1
ARG
461
26.151
67.061
63.803
1.00
8.75

ATOM
2236
HH11
ARG
461
26.936
66.957
64.397
1.00
0.00

ATOM
2237
HH12
ARG
461
25.636
67.921
63.781
1.00
0.00

ATOM
2238
NH2
ARG
461
24.679
66.147
62.247
1.00
7.82

ATOM
2239
HH21
ARG
461
24.374
65.365
61.712
1.00
0.00

ATOM
2240
HH22
ARG
461
24.153
67.001
62.230
1.00
0.00

ATOM
2241
C
ARG
461
29.138
62.381
67.997
1.00
8.87

ATOM
2242
O
ARG
461
30.209
63.004
68.196
1.00
9.79

ATOM
2243
N
PRO
462
28.978
61.082
68.311
1.00
9.26

ATOM
2244
CD
PRO
462
27.722
60.309
68.426
1.00
9.57

ATOM
2245
CA
PRO
462
30.114
60.354
68.863
1.00
11.18

ATOM
2246
CB
PRO
462
29.536
58.948
69.103
1.00
9.51

ATOM
2247
CG
PRO
462
28.094
59.166
69.361
1.00
9.93

ATOM
2248
C
PRO
462
31.183
60.273
67.811
1.00
12.44

ATOM
2249
O
PRO
462
30.902
60.304
66.613
1.00
12.97

ATOM
2250
N
ASP
463
32.429
60.068
68.249
1.00
15.65

ATOM
2251
H
ASP
463
32.611
60.028
69.194
1.00
0.00

ATOM
2252
CA
ASP
463
33.527
59.896
67.309
1.00
17.53

ATOM
2253
CB
ASP
463
34.846
59.645
68.056
1.00
19.87

ATOM
2254
CG
ASP
463
35.394
60.883
68.735
1.00
22.64

ATOM
2255
OD1
ASP
463
35.069
62.011
68.287
1.00
26.57

ATOM
2256
OD2
ASP
463
36.183
60.725
69.700
1.00
24.80

ATOM
2257
C
ASP
463
33.272
58.684
66.423
1.00
17.79

ATOM
2258
O
ASP
463
32.783
57.645
66.910
1.00
18.57

ATOM
2259
N
ASN
464
33.566
58.856
65.134
1.00
18.96

ATOM
2260
H
ASN
464
33.918
59.727
64.850
1.00
0.00

ATOM
2261
CA
ASN
464
33.426
57.827
64.104
1.00
19.94

ATOM
2262
CB
ASN
464
34.480
56.729
64.287
1.00
23.16

ATOM
2263
CG
ASN
464
35.902
57.252
64.087
1.00
25.19

ATOM
2264
OD1
ASN
464
36.188
57.958
63.115
1.00
27.59

ATOM
2265
ND2
ASN
464
36.778
56.955
65.040
1.00
26.98

ATOM
2266
HD21
ASN
464
36.514
56.437
65.809
1.00
0.00

ATOM
2267
HD22
ASN
464
37.700
57.286
64.893
1.00
0.00

ATOM
2268
C
ASN
464
32.055
57.184
63.998
1.00
18.39

ATOM
2269
O
ASN
464
31.927
56.007
63.639
1.00
20.77

ATOM
2270
N
CYS
465
31.017
57.920
64.342
1.00
16.37

ATOM
2271
H
CYS
465
31.151
58.841
64.656
1.00
0.00

ATOM
2272
CA
CYS
465
29.660
57.352
64.245
1.00
14.87

ATOM
2273
CB
CYS
465
28.795
58.006
65.308
1.00
14.20

ATOM
2274
SG
CYS
465
27.051
57.500
65.248
1.00
12.65

ATOM
2275
C
CYS
465
29.094
57.673
62.862
1.00
12.49

ATOM
2276
O
CYS
465
29.113
58.835
62.446
1.00
12.65

ATOM
2277
N
PRO
466
28.636
56.667
62.104
1.00
10.32

ATOM
2278
CD
PRO
466
28.670
55.217
62.425
1.00
11.10

ATOM
2279
CA
PRO
466
28.073
56.921
60.769
1.00
9.39

ATOM
2280
CB
PRO
466
27.566
55.548
60.319
1.00
10.25

ATOM
2281
CG
PRO
466
28.404
54.572
61.124
1.00
11.42

ATOM
2282
C
PRO
466
26.876
57.881
60.925
1.00
7.58

ATOM
2283
O
PRO
466
26.055
57.733
61.851
1.00
7.26

ATOM
2284
N
GLU
467
26.727
58.807
59.975
1.00
6.68

ATOM
2285
H
GLU
467
27.343
58.848
59.215
1.00
0.00

ATOM
2286
CA
GLU
467
25.652
59.781
60.100
1.00
6.04

ATOM
2287
CB
GLU
467
25.895
60.930
59.126
1.00
5.93

ATOM
2288
CG
GLU
467
24.827
62.033
59.276
1.00
7.61

ATOM
2289
CD
GLU
467
24.949
62.858
60.537
1.00
7.58

ATOM
2290
OE1
GLU
467
25.929
62.714
61.289
1.00
8.06

ATOM
2291
OE2
GLU
467
24.022
63.691
60.784
1.00
7.05

ATOM
2292
C
GLU
467
24.261
59.174
59.995
1.00
5.22

ATOM
2293
O
GLU
467
23.327
59.674
60.653
1.00
5.02

ATOM
2294
N
GLU
468
24.119
58.100
59.226
0.51
2.00

ATOM
2295
H
GLU
468
24.876
57.757
58.725
1.00
0.00

ATOM
2296
CA
GLU
468
22.823
57.436
59.143
0.51
2.00

ATOM
2297
CB
GLU
468
22.889
56.272
58.182
0.51
2.00

ATOM
2298
CG
GLU
468
23.077
56.743
56.747
0.51
2.53

ATOM
2299
CD
GLU
468
23.460
55.601
55.829
0.51
6.33

ATOM
2300
OE1
GLU
468
22.553
55.026
55.176
0.51
7.50

ATOM
2301
OE2
GLU
468
24.668
55.272
55.768
0.51
8.25

ATOM
2302
C
GLU
468
22.452
56.912
60.520
0.51
2.00

ATOM
2303
O
GLU
468
21.306
56.997
60.953
0.51
2.00

ATOM
2304
N
LEU
469
23.427
56.345
61.216
1.00
4.24

ATOM
2305
H
LEU
469
24.316
56.216
60.836
1.00
0.00

ATOM
2306
CA
LEU
469
23.123
55.853
62.550
1.00
3.84

ATOM
2307
CB
LEU
469
24.277
54.993
63.132
1.00
5.93

ATOM
2308
CG
LEU
469
23.972
54.287
64.459
1.00
7.66

ATOM
2309
CD1
LEU
469
22.900
53.229
64.290
1.00
8.35

ATOM
2310
CD2
LEU
469
25.272
53.663
64.991
1.00
10.08

ATOM
2311
C
LEU
469
22.788
57.015
63.497
1.00
4.40

ATOM
2312
O
LEU
469
21.912
56.929
64.358
1.00
4.94

ATOM
2313
N
TYR
470
23.556
58.113
63.385
1.00
4.82

ATOM
2314
H
TYR
470
24.279
58.161
62.740
1.00
0.00

ATOM
2315
CA
TYR
470
23.277
59.233
64.255
1.00
4.69

ATOM
2316
CB
TYR
470
24.308
60.364
64.027
1.00
3.97

ATOM
2317
CG
TYR
470
24.156
61.525
65.000
1.00
3.57

ATOM
2318
CD1
TYR
470
24.403
61.380
66.367
1.00
3.84

ATOM
2319
CE1
TYR
470
24.266
62.422
67.261
1.00
3.35

ATOM
2320
CD2
TYR
470
23.773
62.770
64.530
1.00
5.04

ATOM
2321
CE2
TYR
470
23.674
63.836
65.403
1.00
4.10

ATOM
2322
CZ
TYR
470
23.904
63.667
66.753
1.00
3.47

ATOM
2323
OH
TYR
470
23.784
64.737
67.628
1.00
6.32

ATOM
2324
HH
TYR
470
23.979
64.406
68.492
1.00
0.00

ATOM
2325
C
TYR
470
21.862
59.774
64.035
1.00
4.18

ATOM
2326
O
TYR
470
21.175
60.125
65.030
1.00
4.33

ATOM
2327
N
GLN
471
21.427
59.837
62.764
1.00
4.39

ATOM
2328
H
GLN
471
22.002
59.548
62.038
1.00
0.00

ATOM
2329
CA
GLN
471
20.064
60.350
62.500
1.00
4.56

ATOM
2330
CB
GLN
471
19.868
60.703
61.031
1.00
5.08

ATOM
2331
CG
GLN
471
20.684
61.947
60.624
1.00
5.28

ATOM
2332
CD
GLN
471
20.329
63.136
61.492
1.00
7.09

ATOM
2333
OE1
GLN
471
19.153
63.352
61.824
1.00
8.12

ATOM
2334
NE2
GLN
471
21.326
63.940
61.856
1.00
6.37

ATOM
2335
HE21
GLN
471
22.236
63.743
61.584
1.00
0.00

ATOM
2336
HE22
GLN
471
21.094
64.701
62.429
1.00
0.00

ATOM
2337
C
GLN
471
18.995
59.350
63.008
1.00
4.46

ATOM
2338
O
GLN
471
17.929
59.765
63.467
1.00
6.58

ATOM
2339
N
LEU
472
19.363
58.068
63.149
1.00
5.67

ATOM
2340
H
LEU
472
20.238
57.765
62.845
1.00
0.00

ATOM
2341
CA
LEU
472
18.422
57.112
63.733
1.00
5.59

ATOM
2342
CB
LEU
472
18.847
55.677
63.423
1.00
5.95

ATOM
2343
CG
LEU
472
17.776
54.626
63.714
1.00
6.17

ATOM
2344
CD1
LEU
472
16.699
54.732
62.640
1.00
8.40

ATOM
2345
CD2
LEU
472
18.425
53.239
63.565
1.00
7.32

ATOM
2346
C
LEU
472
18.308
57.355
65.255
1.00
6.10

ATOM
2347
O
LEU
472
17.237
57.324
65.846
1.00
6.53

ATOM
2348
N
MET
473
19.454
57.647
65.908
1.00
5.16

ATOM
2349
H
MET
473
20.292
57.622
65.404
1.00
0.00

ATOM
2350
CA
MET
473
19.473
57.983
67.329
1.00
5.13

ATOM
2351
CB
MET
473
20.885
58.393
67.728
1.00
5.60

ATOM
2352
CG
MET
473
21.865
57.162
67.626
1.00
5.38

ATOM
2353
SD
MET
473
23.566
57.901
67.861
1.00
6.95

ATOM
2354
CE
MET
473
24.589
56.334
67.713
1.00
7.19

ATOM
2355
C
MET
473
18.596
59.224
67.515
1.00
5.07

ATOM
2356
O
MET
473
17.830
59.288
68.461
1.00
6.08

ATOM
2357
N
ARG
474
18.714
60.186
66.610
1.00
5.56

ATOM
2358
H
ARG
474
19.307
60.071
65.829
1.00
0.00

ATOM
2359
CA
ARG
474
17.907
61.417
66.799
1.00
5.66

ATOM
2360
CB
ARG
474
18.252
62.482
65.731
1.00
6.55

ATOM
2361
CG
ARG
474
19.756
62.944
65.715
1.00
8.15

ATOM
2362
CD
ARG
474
20.197
63.546
66.969
1.00
11.29

ATOM
2363
NE
ARG
474
19.469
64.769
67.278
1.00
13.35

ATOM
2364
HE
ARG
474
18.501
64.719
67.298
1.00
0.00

ATOM
2365
CZ
ARG
474
20.030
65.955
67.498
1.00
12.24

ATOM
2366
NH1
ARG
474
21.344
66.132
67.458
1.00
8.11

ATOM
2367
HH11
ARG
474
21.955
65.352
67.277
1.00
0.00

ATOM
2368
HH12
ARG
474
21.745
67.030
67.635
1.00
0.00

ATOM
2369
NH2
ARG
474
19.228
66.976
67.757
1.00
12.65

ATOM
2370
HH21
ARG
474
18.246
66.849
67.753
1.00
0.00

ATOM
2371
HH22
ARG
474
19.620
67.890
67.906
1.00
0.00

ATOM
2372
C
ARG
474
16.414
61.120
66.772
1.00
5.28

ATOM
2373
O
ARG
474
15.660
61.789
67.458
1.00
7.28

ATOM
2374
N
LEU
475
15.973
60.176
65.937
1.00
6.18

ATOM
2375
H
LEU
475
16.599
59.687
65.358
1.00
0.00

ATOM
2376
CA
LEU
475
14.535
59.833
65.918
1.00
5.65

ATOM
2377
CB
LEU
475
14.200
58.769
64.881
1.00
6.32

ATOM
2378
CG
LEU
475
14.438
59.049
63.423
1.00
8.27

ATOM
2379
CD1
LEU
475
13.828
57.856
62.657
1.00
10.34

ATOM
2380
CD2
LEU
475
13.761
60.340
63.023
1.00
10.06

ATOM
2381
C
LEU
475
14.119
59.292
67.288
1.00
5.61

ATOM
2382
O
LEU
475
13.021
59.578
67.798
1.00
6.38

ATOM
2383
N
CYS
476
15.010
58.527
67.943
1.00
5.04

ATOM
2384
H
CYS
476
15.872
58.323
67.538
1.00
0.00

ATOM
2385
CA
CYS
476
14.713
58.010
69.254
1.00
5.25

ATOM
2386
CB
CYS
476
15.827
57.034
69.670
1.00
4.89

ATOM
2387
SG
CYS
476
15.962
55.582
68.654
1.00
6.23

ATOM
2388
C
CYS
476
14.630
59.049
70.342
1.00
4.66

ATOM
2389
O
CYS
476
14.104
58.817
71.416
1.00
5.91

ATOM
2390
N
TRP
477
15.206
60.242
70.047
1.00
5.78

ATOM
2391
H
TRP
477
15.588
60.396
69.164
1.00
0.00

ATOM
2392
CA
TRP
477
15.261
61.296
71.025
1.00
5.87

ATOM
2393
CB
TRP
477
16.698
61.833
71.190
1.00
5.33

ATOM
2394
CG
TRP
477
17.736
60.770
71.568
1.00
4.82

ATOM
2395
CD2
TRP
477
19.102
60.778
71.165
1.00
3.86

ATOM
2396
CE2
TRP
477
19.728
59.628
71.752
1.00
5.21

ATOM
2397
CE3
TRP
477
19.871
61.642
70.361
1.00
4.16

ATOM
2398
CD1
TRP
477
17.567
59.667
72.375
1.00
6.46

ATOM
2399
NE1
TRP
477
18.785
58.969
72.482
1.00
4.91

ATOM
2400
HE1
TRP
477
18.921
58.155
72.996
1.00
0.00

ATOM
2401
CZ2
TRP
477
21.074
59.336
71.537
1.00
5.82

ATOM
2402
CZ3
TRP
477
21.208
61.341
70.157
1.00
4.59

ATOM
2403
CH2
TRP
477
21.786
60.209
70.741
1.00
4.52

ATOM
2404
C
TRP
477
14.331
62.432
70.728
1.00
7.18

ATOM
2405
O
TRP
477
14.519
63.536
71.231
1.00
7.39

ATOM
2406
N
LYS
478
13.291
62.161
69.961
1.00
6.00

ATOM
2407
H
LYS
478
13.180
61.274
69.565
1.00
0.00

ATOM
2408
CA
LYS
478
12.319
63.219
69.699
1.00
7.56

ATOM
2409
CB
LYS
478
11.293
62.731
68.679
1.00
8.32

ATOM
2410
CG
LYS
478
11.869
62.775
67.273
1.00
11.04

ATOM
2411
CD
LYS
478
10.927
62.299
66.234
1.00
14.78

ATOM
2412
CE
LYS
478
11.498
62.526
64.861
1.00
18.29

ATOM
2413
NZ
LYS
478
11.628
63.969
64.509
1.00
22.77

ATOM
2414
HZ1
LYS
478
12.253
64.432
65.196
1.00
0.00

ATOM
2415
HZ2
LYS
478
10.681
64.413
64.558
1.00
0.00

ATOM
2416
HZ3
LYS
478
12.006
64.064
63.555
1.00
0.00

ATOM
2417
C
LYS
478
11.656
63.610
71.016
1.00
7.86

ATOM
2418
O
LYS
478
11.472
62.794
71.946
1.00
8.45

ATOM
2419
N
GLU
479
11.250
64.887
71.091
1.00
9.37

ATOM
2420
H
GLU
479
11.344
65.484
70.316
1.00
0.00

ATOM
2421
CA
GLU
479
10.683
65.403
72.316
1.00
10.56

ATOM
2422
CB
GLU
479
10.367
66.888
72.128
1.00
14.56

ATOM
2423
CG
GLU
479
9.793
67.492
73.360
1.00
18.93

ATOM
2424
CD
GLU
479
10.841
67.919
74.321
1.00
22.09

ATOM
2425
OE1
GLU
479
12.025
67.617
74.055
1.00
23.23

ATOM
2426
OE2
GLU
479
10.513
68.633
75.277
1.00
23.63

ATOM
2427
C
GLU
479
9.395
64.709
72.746
1.00
9.17

ATOM
2428
O
GLU
479
9.262
64.285
73.901
1.00
10.60

ATOM
2429
N
ARG
480
8.468
64.584
71.810
1.00
9.87

ATOM
2430
H
ARG
480
8.630
64.905
70.894
1.00
0.00

ATOM
2431
CA
ARG
480
7.183
63.956
72.149
1.00
10.88

ATOM
2432
CB
ARG
480
6.074
64.402
71.184
1.00
12.98

ATOM
2433
CG
ARG
480
5.722
65.877
71.254
1.00
17.39

ATOM
2434
CD
ARG
480
4.329
66.122
70.639
1.00
20.06

ATOM
2435
NE
ARG
480
4.354
65.998
69.186
1.00
24.35

ATOM
2436
HE
ARG
480
5.190
66.232
68.740
1.00
0.00

ATOM
2437
CZ
ARG
480
3.316
65.616
68.436
1.00
24.98

ATOM
2438
NH1
ARG
480
2.159
65.308
69.002
1.00
28.47

ATOM
2439
HH11
ARG
480
2.071
65.319
69.990
1.00
0.00

ATOM
2440
HH12
ARG
480
1.396
65.000
68.429
1.00
0.00

ATOM
2441
NH2
ARG
480
3.427
65.577
67.109
1.00
27.22

ATOM
2442
HH21
ARG
480
4.294
65.855
66.672
1.00
0.00

ATOM
2443
HH22
ARG
480
2.657
65.305
66.549
1.00
0.00

ATOM
2444
C
ARG
480
7.347
62.458
72.013
1.00
9.30

ATOM
2445
O
ARG
480
7.697
62.010
70.935
1.00
10.00

ATOM
2446
N
PRO
481
7.033
61.699
73.085
1.00
9.78

ATOM
2447
CD
PRO
481
6.681
62.127
74.445
1.00
9.93

ATOM
2448
CA
PRO
481
7.161
60.240
73.019
1.00
9.85

ATOM
2449
CB
PRO
481
6.537
59.798
74.332
1.00
9.97

ATOM
2450
CG
PRO
481
6.910
60.886
75.309
1.00
11.62

ATOM
2451
C
PRO
481
6.450
59.638
71.819
1.00
10.02

ATOM
2452
O
PRO
481
7.016
58.825
71.071
1.00
10.13

ATOM
2453
N
GLU
482
5.238
60.133
71.512
1.00
10.63

ATOM
2454
H
GLU
482
4.858
60.861
72.027
1.00
0.00

ATOM
2455
CA
GLU
482
4.530
59.558
70.391
1.00
12.13

ATOM
2456
CB
GLU
482
3.077
60.045
70.404
1.00
14.96

ATOM
2457
CG
GLU
482
2.985
61.559
70.151
1.00
19.14

ATOM
2458
CD
GLU
482
2.948
62.440
71.417
1.00
21.01

ATOM
2459
OE1
GLU
482
3.424
62.066
72.556
1.00
19.96

ATOM
2460
OE2
GLU
482
2.392
63.564
71.233
1.00
24.17

ATOM
2461
C
GLU
482
5.175
59.758
69.003
1.00
10.16

ATOM
2462
O
GLU
482
4.799
59.108
68.013
1.00
11.74

ATOM
2463
N
ASP
483
6.164
60.663
68.908
1.00
9.21

ATOM
2464
H
ASP
483
6.436
61.169
69.691
1.00
0.00

ATOM
2465
CA
ASP
483
6.832
60.905
67.639
1.00
8.77

ATOM
2466
CB
ASP
483
7.347
62.347
67.567
1.00
10.30

ATOM
2467
CG
ASP
483
6.213
63.361
67.401
1.00
15.55

ATOM
2468
OD1
ASP
483
5.094
62.959
66.996
1.00
16.29

ATOM
2469
OD2
ASP
483
6.475
64.534
67.686
1.00
15.87

ATOM
2470
C
ASP
483
8.040
59.997
67.451
1.00
7.47

ATOM
2471
O
ASP
483
8.606
59.932
66.358
1.00
9.55

ATOM
2472
N
ARG
484
8.425
59.305
68.515
1.00
7.27

ATOM
2473
H
ARG
484
7.950
59.432
69.358
1.00
0.00

ATOM
2474
CA
ARG
484
9.563
58.371
68.435
1.00
6.37

ATOM
2475
CB
ARG
484
10.038
58.016
69.835
1.00
5.61

ATOM
2476
CG
ARG
484
10.575
59.269
70.629
1.00
4.50

ATOM
2477
CD
ARG
484
10.822
58.932
72.045
1.00
5.79

ATOM
2478
NE
ARG
484
10.947
60.178
72.835
1.00
5.54

ATOM
2479
HE
ARG
484
11.163
60.995
72.370
1.00
0.00

ATOM
2480
CZ
ARG
484
10.745
60.237
74.143
1.00
5.68

ATOM
2481
NH1
ARG
484
10.435
59.130
74.890
1.00
6.19

ATOM
2482
HH11
ARG
484
10.371
58.237
74.458
1.00
0.00

ATOM
2483
HH12
ARG
484
10.304
59.233
75.870
1.00
0.00

ATOM
2484
NH2
ARG
484
10.650
61.435
74.772
1.00
7.29

ATOM
2485
HH21
ARG
484
10.726
62.276
74.240
1.00
0.00

ATOM
2486
HH22
ARG
484
10.493
61.474
75.752
1.00
0.00

ATOM
2487
C
ARG
484
9.104
57.124
67.686
1.00
7.83

ATOM
2488
O
ARG
484
7.936
56.779
67.773
1.00
8.21

ATOM
2489
N
PRO
485
10.004
56.458
66.979
1.00
6.56

ATOM
2490
CD
PRO
485
11.455
56.804
66.892
1.00
6.14

ATOM
2491
CA
PRO
485
9.683
55.261
66.200
1.00
6.48

ATOM
2492
CB
PRO
485
10.958
55.027
65.380
1.00
6.21

ATOM
2493
CG
PRO
485
12.025
55.560
66.251
1.00
7.95

ATOM
2494
C
PRO
485
9.340
54.053
67.049
1.00
5.48

ATOM
2495
O
PRO
485
9.614
53.999
68.235
1.00
6.38

ATOM
2496
N
THR
486
8.778
53.043
66.388
1.00
6.76

ATOM
2497
H
THR
486
8.538
53.159
65.454
1.00
0.00

ATOM
2498
CA
THR
486
8.559
51.775
67.079
1.00
6.58

ATOM
2499
CB
THR
486
7.460
50.938
66.370
1.00
6.34

ATOM
2500
OG1
THR
486
7.845
50.658
65.023
1.00
7.89

ATOM
2501
HG1
THR
486
7.170
50.128
64.615
1.00
0.00

ATOM
2502
CG2
THR
486
6.101
51.770
66.358
1.00
8.28

ATOM
2503
C
THR
486
9.829
50.953
66.980
1.00
6.42

ATOM
2504
O
THR
486
10.691
51.202
66.128
1.00
6.53

ATOM
2505
N
PHE
487
9.930
49.972
67.874
1.00
5.71

ATOM
2506
H
PHE
487
9.256
49.869
68.553
1.00
0.00

ATOM
2507
CA
PHE
487
11.060
49.050
67.789
1.00
5.66

ATOM
2508
CB
PHE
487
11.128
48.163
69.039
1.00
4.55

ATOM
2509
CG
PHE
487
11.765
48.852
70.218
1.00
3.64

ATOM
2510
CD1
PHE
487
13.134
49.166
70.178
1.00
4.58

ATOM
2511
CD2
PHE
487
11.025
49.199
71.350
1.00
3.94

ATOM
2512
CE1
PHE
487
13.733
49.807
71.249
1.00
4.13

ATOM
2513
CE2
PHE
487
11.600
49.828
72.408
1.00
5.88

ATOM
2514
CZ
PHE
487
12.994
50.142
72.366
1.00
4.40

ATOM
2515
C
PHE
487
11.024
48.228
66.506
1.00
6.80

ATOM
2516
O
PHE
487
12.080
47.846
65.983
1.00
6.89

ATOM
2517
N
ASP
488
9.826
47.889
65.997
1.00
7.35

ATOM
2518
H
ASP
488
8.984
48.104
66.451
1.00
0.00

ATOM
2519
CA
ASP
488
9.836
47.177
64.727
1.00
9.30

ATOM
2520
CB
ASP
488
8.457
46.691
64.300
1.00
13.59

ATOM
2521
CG
ASP
488
8.569
45.639
63.185
1.00
18.00

ATOM
2522
OD1
ASP
488
9.061
44.531
63.478
1.00
20.71

ATOM
2523
OD2
ASP
488
8.328
45.959
62.005
1.00
23.96

ATOM
2524
C
ASP
488
10.447
48.019
63.607
1.00
7.89

ATOM
2525
O
ASP
488
11.202
47.492
62.801
1.00
8.16

ATOM
2526
N
TYR
489
10.154
49.338
63.599
1.00
6.57

ATOM
2527
H
TYR
489
9.501
49.680
64.240
1.00
0.00

ATOM
2528
CA
TYR
489
10.753
50.238
62.630
1.00
6.51

ATOM
2529
CB
TYR
489
10.198
51.661
62.797
1.00
5.83

ATOM
2530
CG
TYR
489
10.831
52.678
61.888
1.00
7.48

ATOM
2531
CD1
TYR
489
10.412
52.820
60.575
1.00
8.56

ATOM
2532
CE1
TYR
489
11.020
53.729
59.724
1.00
10.01

ATOM
2533
CD2
TYR
489
11.898
53.460
62.347
1.00
6.56

ATOM
2534
CE2
TYR
489
12.525
54.343
61.495
1.00
7.31

ATOM
2535
CZ
TYR
489
12.076
54.476
60.202
1.00
9.98

ATOM
2536
OH
TYR
489
12.677
55.392
59.366
1.00
11.46

ATOM
2537
HH
TYR
489
13.355
55.856
59.850
1.00
0.00

ATOM
2538
C
TYR
489
12.267
50.272
62.801
1.00
5.92

ATOM
2539
O
TYR
489
12.995
50.092
61.839
1.00
7.10

ATOM
2540
N
LEU
490
12.718
50.436
64.038
1.00
6.65

ATOM
2541
H
LEU
490
12.092
50.501
64.777
1.00
0.00

ATOM
2542
CA
LEU
490
14.165
50.492
64.347
1.00
6.42

ATOM
2543
CB
LEU
490
14.388
50.731
65.870
1.00
5.79

ATOM
2544
CG
LEU
490
13.989
52.132
66.373
1.00
7.48

ATOM
2545
CD1
LEU
490
13.931
52.235
67.878
1.00
6.61

ATOM
2546
CD2
LEU
490
15.056
53.105
65.797
1.00
8.80

ATOM
2547
C
LEU
490
14.860
49.211
63.880
1.00
6.18

ATOM
2548
O
LEU
490
15.892
49.243
63.238
1.00
5.96

ATOM
2549
N
ARG
491
14.233
48.060
64.160
1.00
6.27

ATOM
2550
H
ARG
491
13.411
48.069
64.673
1.00
0.00

ATOM
2551
CA
ARG
491
14.815
46.795
63.721
1.00
6.31

ATOM
2552
CB
ARG
491
13.915
45.641
64.183
1.00
7.38

ATOM
2553
CG
ARG
491
14.470
44.283
63.688
1.00
9.31

ATOM
2554
CD
ARG
491
13.393
43.170
63.645
1.00
14.23

ATOM
2555
NE
ARG
491
12.172
43.598
62.930
1.00
15.07

ATOM
2556
HE
ARG
491
11.401
43.829
63.489
1.00
0.00

ATOM
2557
CZ
ARG
491
12.018
43.712
61.608
1.00
15.75

ATOM
2558
NH1
ARG
491
12.982
43.434
60.746
1.00
15.02

ATOM
2559
HH11
ARG
491
13.880
43.121
61.087
1.00
0.00

ATOM
2560
HH12
ARG
491
12.829
43.535
59.774
1.00
0.00

ATOM
2561
NH2
ARG
491
10.865
44.169
61.137
1.00
15.21

ATOM
2562
HH21
ARG
491
10.135
44.416
61.771
1.00
0.00

ATOM
2563
HH22
ARG
491
10.729
44.265
60.152
1.00
0.00

ATOM
2564
C
ARG
491
14.932
46.739
62.189
1.00
6.75

ATOM
2565
O
ARG
491
15.992
46.361
61.634
1.00
7.35

ATOM
2566
N
SER
492
13.879
47.186
61.492
0.71
4.54

ATOM
2567
H
SER
492
13.089
47.538
61.958
1.00
0.00

ATOM
2568
CA
SER
492
13.880
47.133
60.055
0.71
5.30

ATOM
2569
CB
SER
492
12.496
47.529
59.526
0.71
5.43

ATOM
2570
OG
SER
492
12.474
47.374
58.129
0.71
9.15

ATOM
2571
HG
SER
492
13.145
47.949
57.762
1.00
0.00

ATOM
2572
C
SER
492
14.962
48.008
59.439
0.71
4.32

ATOM
2573
O
SER
492
15.671
47.594
58.533
0.71
4.97

ATOM
2574
N
VAL
493
15.139
49.218
59.983
1.00
5.16

ATOM
2575
H
VAL
493
14.553
49.500
60.718
1.00
0.00

ATOM
2576
CA
VAL
493
16.138
50.119
59.443
1.00
6.43

ATOM
2577
CB
VAL
493
15.980
51.550
60.107
1.00
5.63

ATOM
2578
CG1
VAL
493
17.159
52.455
59.652
1.00
8.00

ATOM
2579
CG2
VAL
493
14.634
52.189
59.690
1.00
7.88

ATOM
2580
C
VAL
493
17.516
49.591
59.737
1.00
5.20

ATOM
2581
O
VAL
493
18.353
49.604
58.870
1.00
6.67

ATOM
2582
N
LEU
494
17.745
49.116
60.958
1.00
5.50

ATOM
2583
H
LEU
494
17.027
49.146
61.624
1.00
0.00

ATOM
2584
CA
LEU
494
19.094
48.609
61.333
1.00
6.34

ATOM
2585
CB
LEU
494
19.145
48.289
62.805
1.00
6.35

ATOM
2586
CG
LEU
494
19.171
49.514
63.713
1.00
5.07

ATOM
2587
CD1
LEU
494
18.777
49.188
65.130
1.00
5.78

ATOM
2588
CD2
LEU
494
20.588
50.169
63.619
1.00
6.58

ATOM
2589
C
LEU
494
19.489
47.393
60.482
1.00
7.76

ATOM
2590
O
LEU
494
20.648
47.259
60.094
1.00
8.54

ATOM
2591
N
GLU
495
18.498
46.580
60.118
1.00
8.30

ATOM
2592
H
GLU
495
17.585
46.751
60.430
1.00
0.00

ATOM
2593
CA
GLU
495
18.765
45.453
59.230
1.00
9.37

ATOM
2594
CB
GLU
495
17.566
44.502
59.139
1.00
10.30

ATOM
2595
CG
GLU
495
17.360
43.687
60.404
1.00
12.04

ATOM
2596
CD
GLU
495
16.133
42.795
60.346
1.00
14.75

ATOM
2597
OE1
GLU
495
15.393
42.812
59.331
1.00
17.48

ATOM
2598
OE2
GLU
495
15.858
42.105
61.362
1.00
15.95

ATOM
2599
C
GLU
495
19.195
45.944
57.850
1.00
9.75

ATOM
2600
O
GLU
495
20.099
45.395
57.222
1.00
9.88

ATOM
2601
N
ASP
496
18.574
47.016
57.385
1.00
8.31

ATOM
2602
H
ASP
496
17.904
47.484
57.931
1.00
0.00

ATOM
2603
CA
ASP
496
18.930
47.551
56.084
1.00
9.40

ATOM
2604
CB
ASP
496
17.905
48.638
55.683
1.00
9.92

ATOM
2605
CG
ASP
496
16.622
48.068
55.109
1.00
10.66

ATOM
2606
OD1
ASP
496
16.577
46.842
54.781
1.00
13.65

ATOM
2607
OD2
ASP
496
15.618
48.817
54.976
1.00
10.73

ATOM
2608
C
ASP
496
20.344
48.131
56.130
1.00
9.26

ATOM
2609
O
ASP
496
21.085
48.049
55.169
1.00
10.67

ATOM
2610
N
PHE
497
20.684
48.787
57.241
1.00
9.18

ATOM
2611
H
PHE
497
20.045
48.836
57.979
1.00
0.00

ATOM
2612
CA
PHE
497
22.009
49.385
57.410
1.00
10.38

ATOM
2613
CB
PHE
497
22.103
50.110
58.765
1.00
9.42

ATOM
2614
CG
PHE
497
21.388
51.443
58.822
1.00
9.62

ATOM
2615
CD1
PHE
497
20.736
51.943
57.722
1.00
9.72

ATOM
2616
CD2
PHE
497
21.414
52.185
60.015
1.00
9.12

ATOM
2617
CE1
PHE
497
20.102
53.192
57.800
1.00
9.37

ATOM
2618
CE2
PHE
497
20.799
53.432
60.132
1.00
8.46

ATOM
2619
CZ
PHE
497
20.137
53.935
58.995
1.00
7.24

ATOM
2620
C
PHE
497
23.081
48.271
57.381
1.00
11.52

ATOM
2621
O
PHE
497
24.158
48.438
56.804
1.00
12.93

ATOM
2622
N
PHE
498
22.761
47.153
58.025
1.00
14.28

ATOM
2623
H
PHE
498
21.890
47.107
58.477
1.00
0.00

ATOM
2624
CA
PHE
498
23.660
45.986
58.086
1.00
16.98

ATOM
2625
CB
PHE
498
23.132
45.014
59.176
1.00
19.14

ATOM
2626
CG
PHE
498
23.659
43.596
59.107
1.00
20.38

ATOM
2627
CD1
PHE
498
25.010
43.329
59.124
1.00
22.05

ATOM
2628
CD2
PHE
498
22.758
42.525
59.125
1.00
22.64

ATOM
2629
CE1
PHE
498
25.475
42.012
59.165
1.00
21.12

ATOM
2630
CE2
PHE
498
23.202
41.203
59.168
1.00
22.55

ATOM
2631
CZ
PHE
498
24.576
40.954
59.188
1.00
22.00

ATOM
2632
C
PHE
498
23.797
45.295
56.746
1.00
18.13

ATOM
2633
O
PHE
498
24.917
45.034
56.300
1.00
18.94

ATOM
2634
N
THR
499
22.687
45.073
56.055
1.00
20.19

ATOM
2635
H
THR
499
21.829
45.405
56.384
1.00
0.00

ATOM
2636
CA
THR
499
22.758
44.343
54.797
1.00
22.43

ATOM
2637
CB
THR
499
21.399
43.789
54.373
1.00
22.60

ATOM
2638
OG1
THR
499
20.485
44.855
54.253
1.00
23.78

ATOM
2639
HG1
THR
499
20.379
45.296
55.099
1.00
0.00

ATOM
2640
CG2
THR
499
20.849
42.789
55.405
1.00
22.61

ATOM
2641
C
THR
499
23.419
45.195
53.736
1.00
23.72

ATOM
2642
O
THR
499
23.897
44.682
52.719
1.00
25.02

ATOM
2643
N
ALA
500
23.489
46.497
54.006
1.00
24.94

ATOM
2644
H
ALA
500
23.078
46.836
54.824
1.00
0.00

ATOM
2645
CA
ALA
500
24.153
47.432
53.125
1.00
26.58

ATOM
2646
CB
ALA
500
23.642
48.830
53.346
1.00
25.49

ATOM
2647
C
ALA
500
25.652
47.382
53.407
1.00
27.54

ATOM
2648
O
ALA
500
26.428
47.114
52.491
1.00
28.68

ATOM
2649
N
THR
501
26.050
47.596
54.669
1.00
27.16

ATOM
2650
H
THR
501
25.364
47.778
55.345
1.00
0.00

ATOM
2651
CA
THR
501
27.474
47.577
55.072
1.00
26.85

ATOM
2652
CB
THR
501
27.687
48.037
56.555
1.00
26.23

ATOM
2653
OG1
THR
501
26.993
47.162
57.454
1.00
26.89

ATOM
2654
HG1
THR
501
26.037
47.169
57.270
1.00
0.00

ATOM
2655
CG2
THR
501
27.224
49.498
56.773
1.00
25.38

ATOM
2656
C
THR
501
28.144
46.196
54.904
1.00
26.89

ATOM
2657
O
THR
501
27.647
45.353
54.112
1.00
27.80

ATOM
2658
OT
THR
501
29.172
45.942
55.594
1.00
28.37

ATOM
2659
OH2
TIP3
1
21.620
29.748
74.825
1.00
8.52

ATOM
2660
H1
TIP3
1
21.619
30.703
74.839
1.00
0.00

ATOM
2661
H2
TIP3
1
21.616
29.512
73.905
1.00
0.00

ATOM
2662
OH2
TIP3
2
19.448
27.888
78.810
1.00
8.93

ATOM
2663
H1
TIP3
2
19.438
28.841
78.818
1.00
0.00

ATOM
2664
H2
TIP3
2
19.446
27.649
77.893
1.00
0.00

ATOM
2665
OH2
TIP3
3
14.802
51.739
79.298
1.00
7.18

ATOM
2666
H1
TIP3
3
14.787
52.706
79.289
1.00
0.00

ATOM
2667
H2
TIP3
3
14.787
51.512
78.362
1.00
0.00

ATOM
2668
OH2
TIP3
4
19.440
60.726
77.700
1.00
6.25

ATOM
2669
H1
TIP3
4
19.463
61.675
77.720
1.00
0.00

ATOM
2670
H2
TIP3
4
19.463
60.476
76.790
1.00
0.00

ATOM
2671
OH2
TIP3
5
20.579
62.826
73.348
1.00
6.02

ATOM
2672
H1
TIP3
5
20.582
63.772
73.343
1.00
0.00

ATOM
2673
H2
TIP3
5
20.584
62.575
72.424
1.00
0.00

ATOM
2674
OH2
TIP3
6
16.627
32.849
74.682
1.00
6.62

ATOM
2675
H1
TIP3
6
16.613
33.808
74.673
1.00
0.00

ATOM
2676
H2
TIP3
6
16.613
32.606
73.751
1.00
0.00

ATOM
2677
OH2
TIP3
7
24.567
68.831
70.758
1.00
11.18

ATOM
2678
H1
TIP3
7
24.591
69.792
70.745
1.00
0.00

ATOM
2679
H2
TIP3
7
24.591
68.599
69.825
1.00
0.00

ATOM
2680
OH2
TIP3
8
3.910
16.814
94.936
1.00
8.70

ATOM
2681
H1
TIP3
8
3.914
17.769
94.934
1.00
0.00

ATOM
2682
H2
TIP3
8
3.914
16.574
94.006
1.00
0.00

ATOM
2683
OH2
TIP3
9
18.100
61.850
79.778
1.00
10.32

ATOM
2684
H1
TIP3
9
18.102
62.807
79.772
1.00
0.00

ATOM
2685
H2
TIP3
9
18.102
61.605
78.848
1.00
0.00

ATOM
2686
OH2
TIP3
10
16.772
62.110
62.500
1.00
12.69

ATOM
2687
H1
TIP3
10
16.756
63.066
62.499
1.00
0.00

ATOM
2688
H2
TIP3
10
16.749
61.901
61.567
1.00
0.00

ATOM
2689
OH2
TIP3
11
25.240
50.449
80.104
1.00
7.27

ATOM
2690
H1
TIP3
11
25.255
51.408
80.086
1.00
0.00

ATOM
2691
H2
TIP3
11
25.254
50.208
79.167
1.00
0.00

ATOM
2692
OH2
TIP3
12
26.659
31.622
75.084
1.00
8.62

ATOM
2693
H1
TIP3
12
26.656
32.587
75.083
1.00
0.00

ATOM
2694
H2
TIP3
12
26.656
31.396
74.154
1.00
0.00

ATOM
2695
OH2
TIP3
13
25.383
21.709
76.987
1.00
9.37

ATOM
2696
H1
TIP3
13
25.381
22.678
76.989
1.00
0.00

ATOM
2697
H2
TIP3
13
25.381
21.489
76.055
1.00
0.00

ATOM
2698
OH2
TIP3
14
3.800
51.757
76.179
1.00
16.31

ATOM
2699
H1
TIP3
14
3.790
52.707
76.172
1.00
0.00

ATOM
2700
H2
TIP3
14
3.790
51.508
75.250
1.00
0.00

ATOM
2701
OH2
TIP3
15
33.014
39.952
77.627
1.00
15.59

ATOM
2702
H1
TIP3
15
33.021
40.918
77.633
1.00
0.00

ATOM
2703
H2
TIP3
15
33.021
39.720
76.707
1.00
0.00

ATOM
2704
OH2
TIP3
16
23.244
20.494
78.039
1.00
9.49

ATOM
2705
H1
TIP3
16
23.242
21.447
78.032
1.00
0.00

ATOM
2706
H2
TIP3
16
23.242
20.250
77.107
1.00
0.00

ATOM
2707
OH2
TIP3
17
7.671
53.984
63.752
1.00
12.47

ATOM
2708
H1
TIP3
17
7.669
54.938
63.759
1.00
0.00

ATOM
2709
H2
TIP3
17
7.669
53.747
62.829
1.00
0.00

ATOM
2710
OH2
TIP3
18
28.174
56.185
74.630
1.00
10.19

ATOM
2711
H1
TIP3
18
28.170
57.156
74.603
1.00
0.00

ATOM
2712
H2
TIP3
18
28.170
55.960
73.685
1.00
0.00

ATOM
2713
OH2
TIP3
19
22.146
18.808
82.244
1.00
9.68

ATOM
2714
H1
TIP3
19
22.146
19.771
82.246
1.00
0.00

ATOM
2715
H2
TIP3
19
22.148
18.581
81.320
1.00
0.00

ATOM
2716
OH2
TIP3
20
13.274
34.172
76.713
1.00
9.25

ATOM
2717
H1
TIP3
20
13.268
35.135
76.706
1.00
0.00

ATOM
2718
H2
TIP3
20
13.268
33.939
75.780
1.00
0.00

ATOM
2719
OH2
TIP3
21
7.239
57.436
104.519
1.00
13.95

ATOM
2720
H1
TIP3
21
7.217
58.400
104.524
1.00
0.00

ATOM
2721
H2
TIP3
21
7.217
57.205
103.595
1.00
0.00

ATOM
2722
OH2
TIP3
22
35.743
44.113
79.494
1.00
19.75

ATOM
2723
H1
TIP3
22
35.762
45.067
79.489
1.00
0.00

ATOM
2724
H2
TIP3
22
35.762
43.865
78.562
1.00
0.00

ATOM
2725
OH2
TIP3
23
8.606
65.639
69.086
1.00
14.66

ATOM
2726
H1
TIP3
23
8.604
66.584
69.083
1.00
0.00

ATOM
2727
H2
TIP3
23
8.604
65.377
68.158
1.00
0.00

ATOM
2728
OH2
TIP3
24
22.220
28.061
79.375
1.00
12.39

ATOM
2729
H1
TIP3
24
22.229
29.002
79.345
1.00
0.00

ATOM
2730
H2
TIP3
24
22.240
27.824
78.438
1.00
0.00

ATOM
2731
OH2
TIP3
25
14.088
69.122
73.924
1.00
17.10

ATOM
2732
H1
TIP3
25
14.085
70.074
73.909
1.00
0.00

ATOM
2733
H2
TIP3
25
14.085
68.881
72.986
1.00
0.00

ATOM
2734
OH2
TIP3
26
13.661
55.614
79.562
1.00
10.12

ATOM
2735
H1
TIP3
26
13.655
56.564
79.554
1.00
0.00

ATOM
2736
H2
TIP3
26
13.666
55.383
78.629
1.00
0.00

ATOM
2737
OH2
TIP3
27
4.331
54.670
67.201
1.00
13.37

ATOM
2738
H1
TIP3
27
4.327
55.632
67.197
1.00
0.00

ATOM
2739
H2
TIP3
27
4.327
54.437
66.270
1.00
0.00

ATOM
2740
OH2
TIP3
28
6.632
45.326
67.982
1.00
11.48

ATOM
2741
H1
TIP3
28
6.608
46.242
67.924
1.00
0.00

ATOM
2742
H2
TIP3
28
6.631
45.075
67.039
1.00
0.00

ATOM
2743
OH2
TIP3
29
24.783
78.595
73.991
1.00
10.05

ATOM
2744
H1
TIP3
29
24.778
79.550
74.003
1.00
0.00

ATOM
2745
H2
TIP3
29
24.778
78.358
73.073
1.00
0.00

ATOM
2746
OH2
TIP3
30
30.152
59.848
72.332
1.00
12.11

ATOM
2747
H1
TIP3
30
30.155
60.803
72.334
1.00
0.00

ATOM
2748
H2
TIP3
30
30.157
59.604
71.413
1.00
0.00

ATOM
2749
OH2
TIP3
31
25.969
23.735
78.543
1.00
14.18

ATOM
2750
H1
TIP3
31
26.022
24.715
78.548
1.00
0.00

ATOM
2751
H2
TIP3
31
26.034
23.562
77.609
1.00
0.00

ATOM
2752
OH2
TIP3
32
3.073
56.966
68.148
1.00
18.92

ATOM
2753
H1
TIP3
32
3.062
57.921
68.149
1.00
0.00

ATOM
2754
H2
TIP3
32
3.064
56.716
67.222
1.00
0.00

ATOM
2755
OH2
TIP3
33
6.529
52.062
70.116
1.00
17.22

ATOM
2756
H1
TIP3
33
6.515
53.004
70.134
1.00
0.00

ATOM
2757
H2
TIP3
33
6.513
51.812
69.201
1.00
0.00

ATOM
2758
OH2
TIP3
34
26.402
70.378
71.831
1.00
17.50

ATOM
2759
H1
TIP3
34
26.425
71.335
71.835
1.00
0.00

ATOM
2760
H2
TIP3
34
26.425
70.133
70.905
1.00
0.00

ATOM
2761
OH2
TIP3
35
30.299
41.047
81.602
1.00
15.92

ATOM
2762
H1
TIP3
35
30.269
42.006
81.613
1.00
0.00

ATOM
2763
H2
TIP3
35
30.277
40.826
80.682
1.00
0.00

ATOM
2764
OH2
TIP3
36
13.099
71.465
72.644
1.00
13.79

ATOM
2765
H1
TIP3
36
13.094
72.419
72.624
1.00
0.00

ATOM
2766
H2
TIP3
36
13.088
71.217
71.707
1.00
0.00

ATOM
2767
OH2
TIP3
37
29.727
18.018
80.773
1.00
15.04

ATOM
2768
H1
TIP3
37
29.725
18.973
80.787
1.00
0.00

ATOM
2769
H2
TIP3
37
29.726
17.774
79.864
1.00
0.00

ATOM
2770
OH2
TIP3
38
36.064
38.671
74.415
1.00
19.58

ATOM
2771
H1
TIP3
38
36.087
39.602
74.431
1.00
0.00

ATOM
2772
H2
TIP3
38
36.082
38.420
73.497
1.00
0.00

ATOM
2773
OH2
TIP3
39
29.627
65.885
75.019
1.00
21.09

ATOM
2774
H1
TIP3
39
29.655
66.852
75.030
1.00
0.00

ATOM
2775
H2
TIP3
39
29.655
65.661
74.098
1.00
0.00

ATOM
2776
OH2
TIP3
40
16.595
52.544
84.851
1.00
13.90

ATOM
2777
H1
TIP3
40
16.565
53.498
84.853
1.00
0.00

ATOM
2778
H2
TIP3
40
16.565
52.301
83.924
1.00
0.00

ATOM
2779
OH2
TIP3
41
4.206
43.642
85.694
1.00
20.52

ATOM
2780
H1
TIP3
41
4.220
44.619
85.718
1.00
0.00

ATOM
2781
H2
TIP3
41
4.220
43.432
84.778
1.00
0.00

ATOM
2782
OH2
TIP3
42
29.857
58.327
74.600
1.00
14.26

ATOM
2783
H1
TIP3
42
29.858
59.293
74.612
1.00
0.00

ATOM
2784
H2
TIP3
42
29.858
58.097
73.679
1.00
0.00

ATOM
2785
OH2
TIP3
43
16.161
19.916
80.183
1.00
13.92

ATOM
2786
H1
TIP3
43
16.152
20.873
80.195
1.00
0.00

ATOM
2787
H2
TIP3
43
16.152
19.673
79.264
1.00
0.00

ATOM
2788
OH2
TIP3
44
4.638
47.641
75.156
1.00
11.80

ATOM
2789
H1
TIP3
44
4.658
48.599
75.161
1.00
0.00

ATOM
2790
H2
TIP3
44
4.658
47.399
74.240
1.00
0.00

ATOM
2791
OH2
TIP3
45
15.020
76.683
76.321
1.00
15.07

ATOM
2792
H1
TIP3
45
15.022
77.651
76.323
1.00
0.00

ATOM
2793
H2
TIP3
45
15.022
76.454
75.392
1.00
0.00

ATOM
2794
OH2
TIP3
46
6.193
59.954
101.345
1.00
15.44

ATOM
2795
H1
TIP3
46
6.179
60.902
101.354
1.00
0.00

ATOM
2796
H2
TIP3
46
6.179
59.702
100.426
1.00
0.00

ATOM
2797
OH2
TIP3
47
14.081
45.728
83.666
1.00
10.14

ATOM
2798
H1
TIP3
47
14.071
46.678
83.675
1.00
0.00

ATOM
2799
H2
TIP3
47
14.071
45.475
82.745
1.00
0.00

ATOM
2800
OH2
TIP3
48
14.304
25.203
81.378
1.00
17.96

ATOM
2801
H1
TIP3
48
14.295
26.140
81.372
1.00
0.00

ATOM
2802
H2
TIP3
48
14.295
24.933
80.447
1.00
0.00

ATOM
2803
OH2
TIP3
49
10.646
40.704
67.208
1.00
16.11

ATOM
2804
H1
TIP3
49
10.619
41.662
67.206
1.00
0.00

ATOM
2805
H2
TIP3
49
10.619
40.464
66.278
1.00
0.00

ATOM
2806
OH2
TIP3
50
33.324
41.993
62.711
1.00
18.07

ATOM
2807
H1
TIP3
50
33.287
42.925
62.692
1.00
0.00

ATOM
2808
H2
TIP3
50
33.288
41.711
61.778
1.00
0.00

ATOM
2809
OH2
TIP3
51
6.569
57.850
77.095
1.00
16.85

ATOM
2810
H1
TIP3
51
6.578
58.806
77.099
1.00
0.00

ATOM
2811
H2
TIP3
51
6.578
57.612
76.168
1.00
0.00

ATOM
2812
OH2
TIP3
52
17.054
28.788
80.134
1.00
18.95

ATOM
2813
H1
TIP3
52
17.067
29.730
80.166
1.00
0.00

ATOM
2814
H2
TIP3
52
17.067
28.527
79.234
1.00
0.00

ATOM
2815
OH2
TIP3
53
6.065
57.530
65.648
1.00
23.77

ATOM
2816
H1
TIP3
53
6.086
58.499
65.665
1.00
0.00

ATOM
2817
H2
TIP3
53
6.086
57.308
64.732
1.00
0.00

ATOM
2818
OH2
TIP3
54
17.752
52.844
80.755
1.00
13.96

ATOM
2819
H1
TIP3
54
17.734
53.803
80.742
1.00
0.00

ATOM
2820
H2
TIP3
54
17.734
52.609
79.819
1.00
0.00

ATOM
2821
OH2
TIP3
55
11.753
33.295
69.481
1.00
17.77

ATOM
2822
H1
TIP3
55
11.721
34.247
69.504
1.00
0.00

ATOM
2823
H2
TIP3
55
11.721
33.053
68.572
1.00
0.00

ATOM
2824
OH2
TIP3
56
12.945
35.826
79.153
1.00
17.23

ATOM
2825
H1
TIP3
56
12.909
36.781
79.168
1.00
0.00

ATOM
2826
H2
TIP3
56
12.909
35.585
78.235
1.00
0.00

ATOM
2827
OH2
TIP3
57
40.075
43.408
77.618
1.00
25.03

ATOM
2828
H1
TIP3
57
40.050
44.376
77.632
1.00
0.00

ATOM
2829
H2
TIP3
57
40.050
43.185
76.701
1.00
0.00

ATOM
2830
OH2
TIP3
58
3.057
18.092
92.594
1.00
15.17

ATOM
2831
H1
TIP3
58
3.038
19.049
92.595
1.00
0.00

ATOM
2832
H2
TIP3
58
3.044
17.853
91.666
1.00
0.00

ATOM
2833
OH2
TIP3
59
13.402
23.676
95.191
1.00
18.92

ATOM
2834
H1
TIP3
59
13.392
24.628
95.178
1.00
0.00

ATOM
2835
H2
TIP3
59
13.388
23.427
94.259
1.00
0.00

ATOM
2836
OH2
TIP3
60
11.853
37.895
66.174
1.00
24.55

ATOM
2837
H1
TIP3
60
11.836
38.860
66.171
1.00
0.00

ATOM
2838
H2
TIP3
60
11.836
37.670
65.243
1.00
0.00

ATOM
2839
OH2
TIP3
61
24.411
67.363
74.598
1.00
19.56

ATOM
2840
H1
TIP3
61
24.434
68.332
74.589
1.00
0.00

ATOM
2841
H2
TIP3
61
24.434
67.144
73.661
1.00
0.00

ATOM
2842
OH2
TIP3
62
44.003
40.237
77.121
1.00
31.94

ATOM
2843
H1
TIP3
62
43.457
41.037
77.326
1.00
0.00

ATOM
2844
H2
TIP3
62
43.436
39.913
76.436
1.00
0.00

ATOM
2845
OH2
TIP3
63
1.339
21.721
100.240
1.00
17.54

ATOM
2846
H1
TIP3
63
1.339
22.673
100.256
1.00
0.00

ATOM
2847
H2
TIP3
63
1.339
21.472
99.328
1.00
0.00

ATOM
2848
OH2
TIP3
64
11.283
66.503
68.672
1.00
18.27

ATOM
2849
H1
TIP3
64
11.300
67.456
68.667
1.00
0.00

ATOM
2850
H2
TIP3
64
11.300
66.256
67.742
1.00
0.00

ATOM
2851
OH2
TIP3
65
4.681
48.385
66.955
1.00
26.86

ATOM
2852
H1
TIP3
65
4.695
49.332
66.942
1.00
0.00

ATOM
2853
H2
TIP3
65
4.695
48.132
66.020
1.00
0.00

ATOM
2854
OH2
TIP3
66
23.486
29.111
77.108
1.00
18.25

ATOM
2855
H1
TIP3
66
23.490
30.049
77.092
1.00
0.00

ATOM
2856
H2
TIP3
66
23.496
28.856
76.174
1.00
0.00

ATOM
2857
OH2
TIP3
67
13.754
73.903
73.972
1.00
16.09

ATOM
2858
H1
TIP3
67
13.743
74.857
73.965
1.00
0.00

ATOM
2859
H2
TIP3
67
13.743
73.658
73.039
1.00
0.00

ATOM
2860
OH2
TIP3
68
15.325
54.153
81.648
1.00
15.14

ATOM
2861
H1
TIP3
68
15.321
55.104
81.648
1.00
0.00

ATOM
2862
H2
TIP3
68
15.321
53.903
80.723
1.00
0.00

ATOM
2863
OH2
TIP3
69
35.572
54.636
72.552
1.00
30.62

ATOM
2864
H1
TIP3
69
35.594
55.597
72.556
1.00
0.00

ATOM
2865
H2
TIP3
69
35.594
54.403
71.625
1.00
0.00

ATOM
2866
OH2
TIP3
70
25.795
53.197
58.018
1.00
33.10

ATOM
2867
H1
TIP3
70
25.769
54.178
58.023
1.00
0.00

ATOM
2868
H2
TIP3
70
25.769
52.994
57.086
1.00
0.00

ATOM
2869
OH2
TIP3
71
14.517
45.581
56.939
1.00
20.16

ATOM
2870
H1
TIP3
71
14.506
46.543
56.962
1.00
0.00

ATOM
2871
H2
TIP3
71
14.506
45.346
56.025
1.00
0.00

ATOM
2872
OH2
TIP3
72
9.677
42.302
87.127
1.00
22.96

ATOM
2873
H1
TIP3
72
9.690
43.260
87.147
1.00
0.00

ATOM
2874
H2
TIP3
72
9.690
42.060
86.212
1.00
0.00

ATOM
2875
OH2
TIP3
73
24.579
26.235
78.496
1.00
26.31

ATOM
2876
H1
TIP3
73
24.592
27.209
78.486
1.00
0.00

ATOM
2877
H2
TIP3
73
24.592
26.024
77.561
1.00
0.00

ATOM
2878
OH2
TIP3
74
17.567
34.269
99.900
1.00
24.15

ATOM
2879
H1
TIP3
74
17.549
35.217
99.899
1.00
0.00

ATOM
2880
H2
TIP3
74
17.550
34.016
98.977
1.00
0.00

ATOM
2881
OH2
TIP3
75
32.076
34.036
97.002
1.00
36.60

ATOM
2882
H1
TIP3
75
32.061
34.984
97.041
1.00
0.00

ATOM
2883
H2
TIP3
75
32.070
33.822
96.078
1.00
0.00

ATOM
2884
OH2
TIP3
76
29.996
33.471
98.371
1.00
32.47

ATOM
2885
H1
TIP3
76
30.003
34.432
98.365
1.00
0.00

ATOM
2886
H2
TIP3
76
30.003
33.240
97.440
1.00
0.00

ATOM
2887
OH2
TIP3
77
26.355
72.780
70.720
1.00
12.80

ATOM
2888
H1
TIP3
77
26.352
73.726
70.722
1.00
0.00

ATOM
2889
H2
TIP3
77
26.354
72.528
69.797
1.00
0.00

ATOM
2890
OH2
TIP3
78
12.021
33.492
80.130
1.00
11.11

ATOM
2891
H1
TIP3
78
12.012
34.444
80.131
1.00
0.00

ATOM
2892
H2
TIP3
78
12.012
33.245
79.207
1.00
0.00

ATOM
2893
OH2
TIP3
79
29.270
62.453
72.270
1.00
14.54

ATOM
2894
H1
TIP3
79
29.280
63.420
72.244
1.00
0.00

ATOM
2895
H2
TIP3
79
29.280
62.224
71.323
1.00
0.00

ATOM
2896
OH2
TIP3
80
26.858
65.447
74.374
1.00
14.48

ATOM
2897
H1
TIP3
80
26.860
66.399
74.373
1.00
0.00

ATOM
2898
H2
TIP3
80
26.866
65.196
73.462
1.00
0.00

ATOM
2899
OH2
TIP3
81
27.145
19.820
78.037
1.00
20.05

ATOM
2900
H1
TIP3
81
27.159
20.786
78.038
1.00
0.00

ATOM
2901
H2
TIP3
81
27.159
19.591
77.112
1.00
0.00

ATOM
2902
OH2
TIP3
82
29.828
36.381
82.139
1.00
22.88

ATOM
2903
H1
TIP3
82
29.845
37.338
82.130
1.00
0.00

ATOM
2904
H2
TIP3
82
29.845
36.141
81.206
1.00
0.00

ATOM
2905
OH2
TIP3
84
18.936
52.413
83.238
1.00
19.26

ATOM
2906
H1
TIP3
84
18.907
53.373
83.236
1.00
0.00

ATOM
2907
H2
TIP3
84
18.907
52.179
82.308
1.00
0.00

ATOM
2908
OH2
TIP3
85
27.489
24.446
94.600
1.00
23.28

ATOM
2909
H1
TIP3
85
27.499
25.406
94.617
1.00
0.00

ATOM
2910
H2
TIP3
85
27.499
24.207
93.689
1.00
0.00

ATOM
2911
OH2
TIP3
86
−1.525
21.244
100.281
1.00
20.60

ATOM
2912
H1
TIP3
86
−1.522
22.190
100.278
1.00
0.00

ATOM
2913
H2
TIP3
86
−1.522
20.989
99.353
1.00
0.00

ATOM
2914
OH2
TIP3
87
15.694
35.478
101.363
1.00
21.69

ATOM
2915
H1
TIP3
87
15.706
36.430
101.384
1.00
0.00

ATOM
2916
H2
TIP3
87
15.706
35.236
100.447
1.00
0.00

ATOM
2917
OH2
TIP3
88
34.425
37.817
76.435
1.00
19.38

ATOM
2918
H1
TIP3
88
34.435
38.779
76.430
1.00
0.00

ATOM
2919
H2
TIP3
88
34.435
37.591
75.503
1.00
0.00

ATOM
2920
OH2
TIP3
89
24.246
74.238
76.852
1.00
24.69

ATOM
2921
H1
TIP3
89
24.243
75.192
76.866
1.00
0.00

ATOM
2922
H2
TIP3
89
24.243
73.998
75.931
1.00
0.00

ATOM
2923
OH2
TIP3
90
13.178
22.440
79.586
1.00
20.65

ATOM
2924
H1
TIP3
90
13.179
23.405
79.587
1.00
0.00

ATOM
2925
H2
TIP3
90
13.179
22.206
78.661
1.00
0.00

ATOM
2926
OH2
TIP3
91
9.901
52.179
79.541
1.00
14.50

ATOM
2927
H1
TIP3
91
9.885
53.139
79.541
1.00
0.00

ATOM
2928
H2
TIP3
91
9.885
51.939
78.615
1.00
0.00

ATOM
2929
OH2
TIP3
92
20.065
71.147
85.203
1.00
24.37

ATOM
2930
H1
TIP3
92
20.041
72.108
85.216
1.00
0.00

ATOM
2931
H2
TIP3
92
20.041
70.911
84.282
1.00
0.00

ATOM
2932
OH2
TIP3
93
4.592
59.423
77.902
1.00
20.98

ATOM
2933
H1
TIP3
93
4.607
60.387
77.908
1.00
0.00

ATOM
2934
H2
TIP3
93
4.607
59.198
76.976
1.00
0.00

ATOM
2935
OH2
TIP3
94
10.454
59.113
64.371
1.00
20.16

ATOM
2936
H1
TIP3
94
10.456
60.064
64.357
1.00
0.00

ATOM
2937
H2
TIP3
94
10.456
58.865
63.436
1.00
0.00

ATOM
2938
OH2
TIP3
95
17.505
51.846
87.411
1.00
18.46

ATOM
2939
H1
TIP3
95
17.475
52.799
87.416
1.00
0.00

ATOM
2940
H2
TIP3
95
17.475
51.604
86.488
1.00
0.00

ATOM
2941
OH2
TIP3
96
14.817
19.185
88.279
1.00
20.43

ATOM
2942
H1
TIP3
96
14.808
20.144
88.264
1.00
0.00

ATOM
2943
H2
TIP3
96
14.808
18.951
87.347
1.00
0.00

ATOM
2944
OH2
TIP3
98
22.550
31.892
72.695
1.00
26.87

ATOM
2945
H1
TIP3
98
22.604
32.834
72.780
1.00
0.00

ATOM
2946
H2
TIP3
98
22.605
31.632
71.822
1.00
0.00

ATOM
2947
OH2
TIP3
99
16.431
46.142
86.054
1.00
19.46

ATOM
2948
H1
TIP3
99
16.410
47.101
86.053
1.00
0.00

ATOM
2949
H2
TIP3
99
16.412
45.907
85.128
1.00
0.00

ATOM
2950
OH2
TIP3
100
32.761
59.838
71.205
1.00
21.01

ATOM
2951
H1
TIP3
100
32.787
60.797
71.210
1.00
0.00

ATOM
2952
H2
TIP3
100
32.789
59.595
70.293
1.00
0.00

ATOM
2953
OH2
TIP3
101
12.534
45.025
99.009
1.00
24.38

ATOM
2954
H1
TIP3
101
12.550
45.969
99.012
1.00
0.00

ATOM
2955
H2
TIP3
101
12.550
44.767
98.085
1.00
0.00

ATOM
2956
OH2
TIP3
102
15.287
38.470
102.089
1.00
20.83

ATOM
2957
H1
TIP3
102
15.270
39.417
102.112
1.00
0.00

ATOM
2958
H2
TIP3
102
15.270
38.212
101.180
1.00
0.00

ATOM
2959
OH2
TIP3
103
−1.791
21.163
94.344
1.00
19.97

ATOM
2960
H1
TIP3
103
−1.773
22.122
94.336
1.00
0.00

ATOM
2961
H2
TIP3
103
−1.775
20.933
93.418
1.00
0.00

ATOM
2962
OH2
TIP3
104
23.344
43.006
94.136
1.00
22.28

ATOM
2963
H1
TIP3
104
23.328
43.972
94.120
1.00
0.00

ATOM
2964
H2
TIP3
104
23.328
42.778
93.195
1.00
0.00

ATOM
2965
OH2
TIP3
105
24.245
18.434
94.544
1.00
24.15

ATOM
2966
H1
TIP3
105
24.232
19.393
94.540
1.00
0.00

ATOM
2967
H2
TIP3
105
24.232
18.194
93.617
1.00
0.00

ATOM
2968
OH2
TIP3
106
32.538
63.422
69.289
1.00
23.57

ATOM
2969
H1
TIP3
106
32.501
64.379
69.349
1.00
0.00

ATOM
2970
H2
TIP3
106
32.500
63.180
68.399
1.00
0.00

ATOM
2971
OH2
TIP3
107
32.847
33.726
71.640
1.00
22.75

ATOM
2972
H1
TIP3
107
32.842
34.676
71.651
1.00
0.00

ATOM
2973
H2
TIP3
107
32.842
33.471
70.723
1.00
0.00

ATOM
2974
OH2
TIP3
108
6.155
39.952
88.035
1.00
22.81

ATOM
2975
H1
TIP3
108
6.119
40.912
88.037
1.00
0.00

ATOM
2976
H2
TIP3
108
6.119
39.714
87.107
1.00
0.00

ATOM
2977
OH2
TIP3
109
27.765
29.208
75.507
1.00
27.86

ATOM
2978
H1
TIP3
109
27.701
30.128
75.507
1.00
0.00

ATOM
2979
H2
TIP3
109
27.702
28.917
74.585
1.00
0.00

ATOM
2980
OH2
TIP3
110
34.641
32.194
91.953
1.00
27.76

ATOM
2981
H1
TIP3
110
34.657
33.159
91.941
1.00
0.00

ATOM
2982
H2
TIP3
110
34.657
31.965
91.017
1.00
0.00

ATOM
2983
OH2
TIP3
111
5.934
50.021
63.248
1.00
22.40

ATOM
2984
H1
TIP3
111
5.943
50.984
63.248
1.00
0.00

ATOM
2985
H2
TIP3
111
5.943
49.791
62.317
1.00
0.00

ATOM
2986
OH2
TIP3
112
7.947
27.996
92.109
1.00
26.50

ATOM
2987
H1
TIP3
112
7.940
28.966
92.116
1.00
0.00

ATOM
2988
H2
TIP3
112
7.940
27.778
91.185
1.00
0.00

ATOM
2989
OH2
TIP3
113
4.672
62.116
78.254
1.00
20.82

ATOM
2990
H1
TIP3
113
4.662
63.064
78.251
1.00
0.00

ATOM
2991
H2
TIP3
113
4.662
61.865
77.325
1.00
0.00

ATOM
2992
OH2
TIP3
114
12.054
21.331
95.197
1.00
26.63

ATOM
2993
H1
TIP3
114
12.049
22.291
95.167
1.00
0.00

ATOM
2994
H2
TIP3
114
12.052
21.095
94.254
1.00
0.00

ATOM
2995
OH2
TIP3
115
−5.706
20.084
93.477
1.00
29.07

ATOM
2996
H1
TIP3
115
−5.716
21.048
93.469
1.00
0.00

ATOM
2997
H2
TIP3
115
−5.716
19.857
92.543
1.00
0.00

ATOM
2998
OH2
TIP3
116
34.282
48.971
60.475
1.00
24.24

ATOM
2999
H1
TIP3
116
34.275
49.932
60.475
1.00
0.00

ATOM
3000
H2
TIP3
116
34.275
48.735
59.548
1.00
0.00

ATOM
3001
OH2
TIP3
117
15.304
39.745
90.950
1.00
20.18

ATOM
3002
H1
TIP3
117
15.290
40.701
90.942
1.00
0.00

ATOM
3003
H2
TIP3
117
15.288
39.499
90.029
1.00
0.00

ATOM
3004
OH2
TIP3
118
20.425
34.287
86.652
1.00
21.38

ATOM
3005
H1
TIP3
118
20.420
35.252
86.644
1.00
0.00

ATOM
3006
H2
TIP3
118
20.420
34.057
85.722
1.00
0.00

ATOM
3007
OH2
TIP3
119
12.946
30.671
72.330
1.00
21.81

ATOM
3008
H1
TIP3
119
12.939
31.621
72.336
1.00
0.00

ATOM
3009
H2
TIP3
119
12.939
30.415
71.413
1.00
0.00

ATOM
3010
OH2
TIP3
120
29.267
70.890
70.793
1.00
22.48

ATOM
3011
H1
TIP3
120
29.268
71.844
70.799
1.00
0.00

ATOM
3012
H2
TIP3
120
29.268
70.649
69.867
1.00
0.00

ATOM
3013
OH2
TIP3
121
6.147
34.663
75.934
1.00
27.35

ATOM
3014
H1
TIP3
121
6.142
35.632
75.940
1.00
0.00

ATOM
3015
H2
TIP3
121
6.142
34.437
75.013
1.00
0.00

ATOM
3016
OH2
TIP3
122
26.574
74.898
74.914
1.00
24.47

ATOM
3017
H1
TIP3
122
26.584
75.856
74.919
1.00
0.00

ATOM
3018
H2
TIP3
122
26.584
74.655
73.993
1.00
0.00

ATOM
3019
OH2
TIP3
123
40.624
38.731
69.437
1.00
27.91

ATOM
3020
H1
TIP3
123
40.626
39.681
69.432
1.00
0.00

ATOM
3021
H2
TIP3
123
40.631
38.485
68.506
1.00
0.00

ATOM
3022
OH2
TIP3
124
18.335
74.758
79.540
1.00
23.98

ATOM
3023
H1
TIP3
124
18.311
75.715
79.532
1.00
0.00

ATOM
3024
H2
TIP3
124
18.309
74.518
78.613
1.00
0.00

ATOM
3025
OH2
TIP3
125
24.254
25.876
95.658
1.00
25.27

ATOM
3026
H1
TIP3
125
24.260
26.817
95.653
1.00
0.00

ATOM
3027
H2
TIP3
125
24.258
25.610
94.733
1.00
0.00

ATOM
3028
OH2
TIP3
126
27.246
26.940
73.274
1.00
26.51

ATOM
3029
H1
TIP3
126
27.105
27.879
73.539
1.00
0.00

ATOM
3030
H2
TIP3
126
27.084
26.684
72.509
1.00
0.00

ATOM
3031
OH2
TIP3
127
34.397
35.886
70.708
1.00
31.80

ATOM
3032
H1
TIP3
127
34.382
36.839
70.706
1.00
0.00

ATOM
3033
H2
TIP3
127
34.382
35.642
69.782
1.00
0.00

ATOM
3034
OH2
TIP3
128
9.465
66.059
80.174
1.00
30.85

ATOM
3035
H1
TIP3
128
9.469
67.026
80.156
1.00
0.00

ATOM
3036
H2
TIP3
128
9.469
65.836
79.229
1.00
0.00

ATOM
3037
OH2
TIP3
129
5.931
42.078
93.970
1.00
27.38

ATOM
3038
H1
TIP3
129
5.912
43.032
93.981
1.00
0.00

ATOM
3039
H2
TIP3
129
5.912
41.838
93.047
1.00
0.00

ATOM
3040
OH2
TIP3
130
20.620
40.016
85.891
1.00
38.29

ATOM
3041
H1
TIP3
130
20.594
40.972
85.901
1.00
0.00

ATOM
3042
H2
TIP3
130
20.594
39.776
84.970
1.00
0.00

ATOM
3043
OH2
TIP3
131
22.022
36.821
86.431
1.00
32.96

ATOM
3044
H1
TIP3
131
21.996
37.776
86.440
1.00
0.00

ATOM
3045
H2
TIP3
131
21.996
36.580
85.509
1.00
0.00

ATOM
3046
OH2
TIP3
132
20.893
36.741
83.379
1.00
22.74

ATOM
3047
H1
TIP3
132
20.877
37.688
83.396
1.00
0.00

ATOM
3048
H2
TIP3
132
20.877
36.485
82.465
1.00
0.00

ATOM
3049
OH2
TIP3
133
23.406
58.660
84.323
1.00
21.15

ATOM
3050
H1
TIP3
133
23.406
59.609
84.347
1.00
0.00

ATOM
3051
H2
TIP3
133
23.406
58.410
83.417
1.00
0.00

ATOM
3052
OH2
TIP3
134
23.629
54.392
85.766
1.00
36.35

ATOM
3053
H1
TIP3
134
23.628
55.363
85.762
1.00
0.00

ATOM
3054
H2
TIP3
134
23.630
54.174
84.835
1.00
0.00

ATOM
3055
OH2
TIP3
135
22.408
62.871
89.478
1.00
30.51

ATOM
3056
H1
TIP3
135
22.406
63.808
89.470
1.00
0.00

ATOM
3057
H2
TIP3
135
22.376
62.612
88.565
1.00
0.00

ATOM
3058
OH2
TIP3
136
19.425
59.372
89.140
1.00
30.89

ATOM
3059
H1
TIP3
136
19.425
60.328
89.123
1.00
0.00

ATOM
3060
H2
TIP3
136
19.427
59.136
88.202
1.00
0.00

ATOM
3061
OH2
TIP3
137
11.615
59.513
87.932
1.00
28.83

ATOM
3062
H1
TIP3
137
11.605
60.461
87.938
1.00
0.00

ATOM
3063
H2
TIP3
137
11.605
59.258
87.013
1.00
0.00

ATOM
3064
OH2
TIP3
138
12.694
69.504
76.549
1.00
29.32

ATOM
3065
H1
TIP3
138
12.696
70.443
76.547
1.00
0.00

ATOM
3066
H2
TIP3
138
12.698
69.237
75.628
1.00
0.00

ATOM
3067
OH2
TIP3
139
32.023
33.237
67.973
1.00
28.64

ATOM
3068
H1
TIP3
139
32.022
34.198
67.957
1.00
0.00

ATOM
3069
H2
TIP3
139
32.022
33.008
67.035
1.00
0.00

ATOM
3070
OH2
TIP3
140
26.673
28.035
77.708
1.00
22.76

ATOM
3071
H1
TIP3
140
26.701
28.969
77.676
1.00
0.00

ATOM
3072
H2
TIP3
140
26.701
27.768
76.777
1.00
0.00

ATOM
3073
OH2
TIP3
141
32.465
52.473
65.827
1.00
30.71

ATOM
3074
H1
TIP3
141
32.493
53.434
65.832
1.00
0.00

ATOM
3075
H2
TIP3
141
32.493
52.238
64.904
1.00
0.00

ATOM
3076
OH2
TIP3
142
28.087
61.297
62.694
1.00
25.89

ATOM
3077
H1
TIP3
142
28.121
62.254
62.696
1.00
0.00

ATOM
3078
H2
TIP3
142
28.121
61.054
61.769
1.00
0.00

ATOM
3079
OH2
TIP3
143
3.030
49.726
71.581
1.00
29.32

ATOM
3080
H1
TIP3
143
3.019
50.689
71.562
1.00
0.00

ATOM
3081
H2
TIP3
143
3.019
49.500
70.637
1.00
0.00

ATOM
3082
OH2
TIP3
144
3.075
49.647
74.581
1.00
22.68

ATOM
3083
H1
TIP3
144
3.069
50.596
74.585
1.00
0.00

ATOM
3084
H2
TIP3
144
3.069
49.398
73.657
1.00
0.00

ATOM
3085
OH2
TIP3
145
5.155
55.012
64.654
1.00
25.00

ATOM
3086
H1
TIP3
145
5.114
55.977
64.654
1.00
0.00

ATOM
3087
H2
TIP3
145
5.114
54.783
63.725
1.00
0.00

ATOM
3088
OH2
TIP3
146
2.649
52.569
67.943
1.00
27.65

ATOM
3089
H1
TIP3
146
2.598
53.542
67.945
1.00
0.00

ATOM
3090
H2
TIP3
146
2.598
52.353
67.013
1.00
0.00

ATOM
3091
OH2
TIP3
147
25.491
46.315
95.161
1.00
23.75

ATOM
3092
H1
TIP3
147
25.505
47.272
95.167
1.00
0.00

ATOM
3093
H2
TIP3
147
25.505
46.074
94.235
1.00
0.00

ATOM
3094
OH2
TIP3
148
24.063
56.944
86.112
1.00
32.65

ATOM
3095
H1
TIP3
148
24.066
57.893
86.106
1.00
0.00

ATOM
3096
H2
TIP3
148
24.066
56.690
85.182
1.00
0.00

ATOM
3097
OH2
TIP3
149
9.768
51.724
89.764
1.00
30.10

ATOM
3098
H1
TIP3
149
9.550
52.635
89.797
1.00
0.00

ATOM
3099
H2
TIP3
149
9.559
51.416
88.881
1.00
0.00

ATOM
3100
OH2
TIP3
150
12.830
31.443
74.972
1.00
18.61

ATOM
3101
H1
TIP3
150
12.785
32.361
75.002
1.00
0.00

ATOM
3102
H2
TIP3
150
12.786
31.134
74.076
1.00
0.00

ATOM
3103
OH2
TIP3
151
12.058
29.386
75.911
1.00
26.41

ATOM
3104
H1
TIP3
151
12.139
30.373
75.907
1.00
0.00

ATOM
3105
H2
TIP3
151
12.148
29.211
74.968
1.00
0.00

ATOM
3106
OH2
TIP3
152
21.920
58.891
87.253
1.00
24.49

ATOM
3107
H1
TIP3
152
21.940
59.824
87.237
1.00
0.00

ATOM
3108
H2
TIP3
152
21.940
58.618
86.318
1.00
0.00

ATOM
3109
OH2
TIP3
153
10.991
44.408
57.618
1.00
30.05

ATOM
3110
H1
TIP3
153
11.001
45.351
57.616
1.00
0.00

ATOM
3111
H2
TIP3
153
11.001
44.143
56.693
1.00
0.00

ATOM
3112
OH2
TIP3
154
14.634
59.750
88.168
1.00
26.28

ATOM
3113
H1
TIP3
154
14.619
60.708
88.160
1.00
0.00

ATOM
3114
H2
TIP3
154
14.619
59.504
87.239
1.00
0.00

ATOM
3115
OH2
TIP3
155
3.782
51.970
70.479
1.00
31.90

ATOM
3116
H1
TIP3
155
3.755
52.919
70.475
1.00
0.00

ATOM
3117
H2
TIP3
155
3.755
51.716
69.553
1.00
0.00

ATOM
3118
OH2
TIP3
156
4.635
28.099
96.066
1.00
26.26

ATOM
3119
H1
TIP3
156
4.632
29.065
96.071
1.00
0.00

ATOM
3120
H2
TIP3
156
4.632
27.872
95.143
1.00
0.00

ATOM
3121
OH2
TIP3
157
18.575
41.802
92.535
1.00
36.30

ATOM
3122
H1
TIP3
157
18.614
42.757
92.517
1.00
0.00

ATOM
3123
H2
TIP3
157
18.614
41.555
91.599
1.00
0.00

ATOM
3124
OH2
TIP3
158
22.860
41.454
83.366
1.00
35.87

ATOM
3125
H1
TIP3
158
22.858
42.404
83.372
1.00
0.00

ATOM
3126
H2
TIP3
158
22.858
41.204
82.446
1.00
0.00

ATOM
3127
OH2
TIP3
159
11.591
46.630
90.976
1.00
25.90

ATOM
3128
H1
TIP3
159
11.624
47.583
91.014
1.00
0.00

ATOM
3129
H2
TIP3
159
11.624
46.384
90.077
1.00
0.00

ATOM
3130
OH2
TIP3
160
10.980
42.843
89.397
1.00
25.17

ATOM
3131
H1
TIP3
160
10.945
43.804
89.370
1.00
0.00

ATOM
3132
H2
TIP3
160
10.948
42.611
88.449
1.00
0.00

ATOM
3133
OH2
TIP3
161
2.899
52.279
89.567
1.00
35.93

ATOM
3134
H1
TIP3
161
2.875
53.239
89.576
1.00
0.00

ATOM
3135
H2
TIP3
161
2.884
52.048
88.642
1.00
0.00

ATOM
3136
OH2
TIP3
162
1.360
52.599
87.123
1.00
33.19

ATOM
3137
H1
TIP3
162
1.380
53.547
87.127
1.00
0.00

ATOM
3138
H2
TIP3
162
1.380
52.347
86.199
1.00
0.00

ATOM
3139
OH2
TIP3
163
31.471
41.458
88.534
1.00
28.07

ATOM
3140
H1
TIP3
163
31.480
42.416
88.537
1.00
0.00

ATOM
3141
H2
TIP3
163
31.480
41.221
87.611
1.00
0.00

ATOM
3142
OH2
TIP3
164
31.236
37.995
83.715
1.00
35.98

ATOM
3143
H1
TIP3
164
31.244
38.937
83.680
1.00
0.00

ATOM
3144
H2
TIP3
164
31.244
37.740
82.766
1.00
0.00

ATOM
3145
OH2
TIP3
165
27.212
63.696
87.135
1.00
31.88

ATOM
3146
H1
TIP3
165
27.267
64.673
87.158
1.00
0.00

ATOM
3147
H2
TIP3
165
27.267
63.485
86.220
1.00
0.00

ATOM
3148
OH2
TIP3
166
16.681
64.326
68.227
1.00
14.19

ATOM
3149
H1
TIP3
166
16.644
65.299
68.243
1.00
0.00

ATOM
3150
H2
TIP3
166
16.644
64.102
67.313
1.00
0.00

ATOM
3151
OH2
TIP3
167
6.593
17.748
94.755
1.00
16.77

ATOM
3152
H1
TIP3
167
6.603
18.698
94.780
1.00
0.00

ATOM
3153
H2
TIP3
167
6.603
17.497
93.847
1.00
0.00

ATOM
3154
OH2
TIP3
168
3.319
56.318
74.128
1.00
35.41

ATOM
3155
H1
TIP3
168
3.338
57.270
74.109
1.00
0.00

ATOM
3156
H2
TIP3
168
3.338
56.073
73.190
1.00
0.00

ATOM
3157
OH2
TIP3
169
17.419
44.179
55.313
1.00
27.44

ATOM
3158
H1
TIP3
169
17.421
45.116
55.309
1.00
0.00

ATOM
3159
H2
TIP3
169
17.418
43.918
54.386
1.00
0.00

ATOM
3160
OH2
TIP3
170
23.116
45.953
85.369
1.00
30.99

ATOM
3161
H1
TIP3
170
23.152
46.921
85.402
1.00
0.00

ATOM
3162
H2
TIP3
170
23.155
45.744
84.459
1.00
0.00

ATOM
3163
OH2
TIP3
171
23.784
31.626
74.741
1.00
27.99

ATOM
3164
H1
TIP3
171
23.692
32.577
74.679
1.00
0.00

ATOM
3165
H2
TIP3
171
23.699
31.381
73.782
1.00
0.00

ATOM
3166
OH2
TIP3
172
29.228
23.854
78.309
1.00
33.69

ATOM
3167
H1
TIP3
172
29.203
24.821
78.316
1.00
0.00

ATOM
3168
H2
TIP3
172
29.203
23.628
77.385
1.00
0.00

ATOM
3169
OH2
TIP3
173
12.110
62.970
61.321
1.00
30.60

ATOM
3170
H1
TIP3
173
12.072
63.931
61.315
1.00
0.00

ATOM
3171
H2
TIP3
173
12.072
62.735
60.389
1.00
0.00

ATOM
3172
OH2
TIP3
174
7.496
21.769
90.909
1.00
29.01

ATOM
3173
H1
TIP3
174
7.519
22.745
90.874
1.00
0.00

ATOM
3174
H2
TIP3
174
7.514
21.560
89.967
1.00
0.00

ATOM
3175
OH2
TIP3
175
6.066
34.847
93.635
1.00
28.39

ATOM
3176
H1
TIP3
175
6.053
35.815
93.632
1.00
0.00

ATOM
3177
H2
TIP3
175
6.049
34.618
92.720
1.00
0.00

ATOM
3178
OH2
TIP3
176
6.593
44.033
89.946
1.00
33.99

ATOM
3179
H1
TIP3
176
6.575
44.965
89.812
1.00
0.00

ATOM
3180
H2
TIP3
176
6.621
43.816
89.011
1.00
0.00

ATOM
3181
OH2
TIP3
177
10.295
25.226
82.030
1.00
32.08

ATOM
3182
H1
TIP3
177
10.182
26.172
82.011
1.00
0.00

ATOM
3183
H2
TIP3
177
10.184
24.969
81.098
1.00
0.00

ATOM
3184
OH2
TIP3
178
0.809
45.203
71.524
1.00
25.10

ATOM
3185
H1
TIP3
178
0.842
46.181
71.532
1.00
0.00

ATOM
3186
H2
TIP3
178
0.842
44.995
70.597
1.00
0.00

ATOM
3187
OH2
TIP3
179
22.972
43.363
102.150
1.00
36.75

ATOM
3188
H1
TIP3
179
22.966
44.314
102.170
1.00
0.00

ATOM
3189
H2
TIP3
179
22.966
43.115
101.236
1.00
0.00

ATOM
3190
OH2
TIP3
180
23.237
48.451
85.106
1.00
35.30

ATOM
3191
H1
TIP3
180
23.257
49.383
85.127
1.00
0.00

ATOM
3192
H2
TIP3
180
23.257
48.176
84.197
1.00
0.00

ATOM
3193
OH2
TIP3
181
4.043
34.705
85.757
1.00
24.15

ATOM
3194
H1
TIP3
181
4.019
35.656
85.771
1.00
0.00

ATOM
3195
H2
TIP3
181
4.019
34.455
84.843
1.00
0.00

ATOM
3196
OH2
TIP3
182
20.691
39.215
94.052
1.00
26.94

ATOM
3197
H1
TIP3
182
20.695
40.183
94.093
1.00
0.00

ATOM
3198
H2
TIP3
182
20.695
38.991
93.152
1.00
0.00

ATOM
3199
OH2
TIP3
183
−1.097
50.890
82.306
1.00
33.75

ATOM
3200
H1
TIP3
183
−1.253
51.786
82.212
1.00
0.00

ATOM
3201
H2
TIP3
183
−1.081
50.637
81.373
1.00
0.00

ATOM
3202
OH2
TIP3
184
31.787
63.274
71.545
1.00
28.87

ATOM
3203
H1
TIP3
184
31.798
64.222
71.479
1.00
0.00

ATOM
3204
H2
TIP3
184
31.789
63.019
70.587
1.00
0.00

ATOM
3205
OH2
TIP3
185
14.762
22.784
82.023
1.00
32.79

ATOM
3206
H1
TIP3
185
14.723
23.746
82.025
1.00
0.00

ATOM
3207
H2
TIP3
185
14.721
22.557
81.094
1.00
0.00

ATOM
3208
OH2
TIP3
186
30.806
69.844
80.444
1.00
32.26

ATOM
3209
H1
TIP3
186
30.787
70.789
80.464
1.00
0.00

ATOM
3210
H2
TIP3
186
30.787
69.583
79.535
1.00
0.00

ATOM
3211
OH2
TIP3
187
18.427
72.812
83.951
1.00
27.54

ATOM
3212
H1
TIP3
187
18.458
73.765
83.955
1.00
0.00

ATOM
3213
H2
TIP3
187
18.458
72.563
83.028
1.00
0.00

ATOM
3214
OH2
TIP3
188
34.648
25.709
92.039
1.00
33.88

ATOM
3215
H1
TIP3
188
34.651
26.665
92.028
1.00
0.00

ATOM
3216
H2
TIP3
188
34.651
25.467
91.107
1.00
0.00

ATOM
3217
OH2
TIP3
189
33.550
56.144
79.255
1.00
25.78

ATOM
3218
H1
TIP3
189
33.568
57.112
79.229
1.00
0.00

ATOM
3219
H2
TIP3
189
33.568
55.923
78.308
1.00
0.00

ATOM
3220
OH2
TIP3
190
31.588
65.742
72.966
1.00
27.89

ATOM
3221
H1
TIP3
190
31.537
66.700
72.938
1.00
0.00

ATOM
3222
H2
TIP3
190
31.537
65.505
72.021
1.00
0.00

ATOM
3223
OH2
TIP3
191
34.007
49.937
64.148
1.00
36.57

ATOM
3224
H1
TIP3
191
34.017
50.899
64.136
1.00
0.00

ATOM
3225
H2
TIP3
191
34.017
49.704
63.211
1.00
0.00

ATOM
3226
OH2
TIP3
192
35.774
52.177
76.491
1.00
35.11

ATOM
3227
H1
TIP3
192
35.764
53.126
76.478
1.00
0.00

ATOM
3228
H2
TIP3
192
35.764
51.926
75.558
1.00
0.00

ATOM
3229
OH2
TIP3
193
14.266
18.832
81.850
1.00
42.65

ATOM
3230
H1
TIP3
193
14.506
19.737
82.028
1.00
0.00

ATOM
3231
H2
TIP3
193
14.529
18.531
81.024
1.00
0.00

ATOM
3232
OH2
TIP3
194
1.553
57.603
65.331
1.00
40.28

ATOM
3233
H1
TIP3
194
1.557
58.563
65.337
1.00
0.00

ATOM
3234
H2
TIP3
194
1.557
57.368
64.404
1.00
0.00

ATOM
3235
OH2
TIP3
195
4.422
32.123
88.838
1.00
32.17

ATOM
3236
H1
TIP3
195
4.416
33.067
88.833
1.00
0.00

ATOM
3237
H2
TIP3
195
4.416
31.861
87.913
1.00
0.00

ATOM
3238
OH2
TIP3
196
14.003
45.749
53.783
1.00
31.04

ATOM
3239
H1
TIP3
196
13.997
46.724
53.783
1.00
0.00

ATOM
3240
H2
TIP3
196
13.997
45.534
52.856
1.00
0.00

ATOM
3241
OH2
TIP3
197
31.903
51.874
80.070
1.00
28.31

ATOM
3242
H1
TIP3
197
31.894
52.799
80.038
1.00
0.00

ATOM
3243
H2
TIP3
197
31.902
51.577
79.144
1.00
0.00

ATOM
3244
OH2
TIP3
198
7.885
33.930
71.780
1.00
30.41

ATOM
3245
H1
TIP3
198
7.859
34.885
71.781
1.00
0.00

ATOM
3246
H2
TIP3
198
7.859
33.686
70.856
1.00
0.00

ATOM
3247
OH2
TIP3
199
2.175
52.836
74.373
1.00
36.70

ATOM
3248
H1
TIP3
199
2.210
53.787
74.386
1.00
0.00

ATOM
3249
H2
TIP3
199
2.209
52.586
73.455
1.00
0.00

ATOM
3250
OH2
TIP3
200
27.709
21.730
94.653
1.00
37.76

ATOM
3251
H1
TIP3
200
27.712
22.691
94.669
1.00
0.00

ATOM
3252
H2
TIP3
200
27.712
21.498
93.733
1.00
0.00

ATOM
3253
OH2
TIP3
201
6.824
43.909
85.895
1.00
38.46

ATOM
3254
H1
TIP3
201
6.800
44.826
85.981
1.00
0.00

ATOM
3255
H2
TIP3
201
6.797
43.646
85.033
1.00
0.00

ATOM
3256
OH2
TIP3
202
41.467
40.084
77.723
1.00
36.70

ATOM
3257
H1
TIP3
202
41.162
40.956
77.648
1.00
0.00

ATOM
3258
H2
TIP3
202
41.208
39.765
76.819
1.00
0.00

ATOM
3259
OH2
TIP3
203
38.042
58.700
67.769
1.00
33.76

ATOM
3260
H1
TIP3
203
38.054
59.649
67.790
1.00
0.00

ATOM
3261
H2
TIP3
203
38.054
58.449
66.854
1.00
0.00

ATOM
3262
OH2
TIP3
204
28.693
45.564
82.956
1.00
35.59

ATOM
3263
H1
TIP3
204
28.704
46.525
82.980
1.00
0.00

ATOM
3264
H2
TIP3
204
28.704
45.329
82.041
1.00
0.00

ATOM
3265
OH2
TIP3
205
11.506
37.834
80.089
1.00
21.86

ATOM
3266
H1
TIP3
205
11.474
38.794
80.096
1.00
0.00

ATOM
3267
H2
TIP3
205
11.476
37.605
79.167
1.00
0.00

ATOM
3268
OH2
TIP3
206
13.581
38.686
104.175
1.00
33.01

ATOM
3269
H1
TIP3
206
13.577
39.652
104.176
1.00
0.00

ATOM
3270
H2
TIP3
206
13.577
38.461
103.247
1.00
0.00

ATOM
3271
OH2
TIP3
207
6.466
43.750
66.221
1.00
36.71

ATOM
3272
H1
TIP3
207
6.485
44.742
66.266
1.00
0.00

ATOM
3273
H2
TIP3
207
6.486
43.565
65.319
1.00
0.00

ATOM
3274
OH2
TIP3
208
18.075
49.217
87.796
1.00
33.12

ATOM
3275
H1
TIP3
208
18.046
50.173
87.776
1.00
0.00

ATOM
3276
H2
TIP3
208
18.044
48.989
86.865
1.00
0.00

ATOM
3277
OH2
TIP3
209
28.496
52.689
58.003
1.00
35.36

ATOM
3278
H1
TIP3
209
28.443
53.649
58.016
1.00
0.00

ATOM
3279
H2
TIP3
209
28.443
52.456
57.082
1.00
0.00

ATOM
3280
OH2
TIP3
210
27.292
25.593
77.744
1.00
34.42

ATOM
3281
H1
TIP3
210
27.116
26.481
77.454
1.00
0.00

ATOM
3282
H2
TIP3
210
27.146
25.341
76.779
1.00
0.00

ATOM
3283
OH2
TIP3
211
33.979
35.777
78.853
1.00
32.89

ATOM
3284
H1
TIP3
211
34.015
36.734
78.857
1.00
0.00

ATOM
3285
H2
TIP3
211
34.015
35.532
77.931
1.00
0.00

ATOM
3286
OH2
TIP3
212
31.242
60.948
81.668
1.00
37.12

ATOM
3287
H1
TIP3
212
31.237
61.895
81.679
1.00
0.00

ATOM
3288
H2
TIP3
212
31.237
60.693
80.747
1.00
0.00

ATOM
3289
OH2
TIP3
213
35.836
41.528
63.005
1.00
34.19

ATOM
3290
H1
TIP3
213
35.833
42.482
63.033
1.00
0.00

ATOM
3291
H2
TIP3
213
35.833
41.285
62.095
1.00
0.00

ATOM
3292
OH2
TIP3
214
−2.194
56.331
73.893
1.00
36.04

ATOM
3293
H1
TIP3
214
−2.249
57.281
73.885
1.00
0.00

ATOM
3294
H2
TIP3
214
−2.249
56.080
72.965
1.00
0.00

ATOM
3295
OH2
TIP3
215
3.099
32.353
85.937
1.00
36.12

ATOM
3296
H1
TIP3
215
3.140
33.324
85.937
1.00
0.00

ATOM
3297
H2
TIP3
215
3.143
32.141
85.004
1.00
0.00

ATOM
3298
OH2
TIP3
216
29.399
19.525
86.525
1.00
25.81

ATOM
3299
H1
TIP3
216
29.381
20.462
86.510
1.00
0.00

ATOM
3300
H2
TIP3
216
29.381
19.255
85.591
1.00
0.00

ATOM
3301
OH2
TIP3
217
1.615
38.832
79.927
1.00
28.39

ATOM
3302
H1
TIP3
217
1.622
39.783
79.929
1.00
0.00

ATOM
3303
H2
TIP3
217
1.622
38.590
79.001
1.00
0.00

ATOM
3304
OH2
TIP3
218
13.787
67.375
77.371
1.00
34.53

ATOM
3305
H1
TIP3
218
13.615
68.270
77.173
1.00
0.00

ATOM
3306
H2
TIP3
218
13.746
67.162
76.418
1.00
0.00

ATOM
3307
OH2
TIP3
219
6.177
43.017
87.892
1.00
32.18

ATOM
3308
H1
TIP3
219
6.255
44.059
87.926
1.00
0.00

ATOM
3309
H2
TIP3
219
6.260
42.938
86.951
1.00
0.00

ATOM
3310
OH2
TIP3
220
28.330
71.277
79.038
1.00
36.59

ATOM
3311
H1
TIP3
220
28.365
72.243
79.051
1.00
0.00

ATOM
3312
H2
TIP3
220
28.365
71.051
78.116
1.00
0.00

ATOM
3313
OH2
TIP3
221
15.295
51.964
90.082
1.00
35.46

ATOM
3314
H1
TIP3
221
15.297
52.918
90.087
1.00
0.00

ATOM
3315
H2
TIP3
221
15.297
51.720
89.159
1.00
0.00

ATOM
3316
OH2
TIP3
222
42.721
36.930
69.137
1.00
39.24

ATOM
3317
H1
TIP3
222
42.697
37.900
69.138
1.00
0.00

ATOM
3318
H2
TIP3
222
42.697
36.708
68.213
1.00
0.00

ATOM
3319
OH2
TIP3
223
9.299
64.027
76.973
1.00
34.30

ATOM
3320
H1
TIP3
223
9.283
64.978
76.989
1.00
0.00

ATOM
3321
H2
TIP3
223
9.283
63.775
76.057
1.00
0.00

ATOM
3322
OH2
TIP3
224
−2.159
53.009
74.456
1.00
34.50

ATOM
3323
H1
TIP3
224
−2.107
53.964
74.446
1.00
0.00

ATOM
3324
H2
TIP3
224
−2.107
52.770
73.521
1.00
0.00

ATOM
3325
OH2
TIP3
225
7.927
32.911
69.370
1.00
39.25

ATOM
3326
H1
TIP3
225
7.900
33.886
69.362
1.00
0.00

ATOM
3327
H2
TIP3
225
7.900
32.704
68.435
1.00
0.00

ATOM
3328
OH2
TIP3
226
35.674
33.002
69.346
1.00
37.41

ATOM
3329
H1
TIP3
226
35.675
33.963
69.341
1.00
0.00

ATOM
3330
H2
TIP3
226
35.675
32.764
68.419
1.00
0.00

ATOM
3331
OH2
TIP3
227
32.472
17.954
90.113
1.00
36.48

ATOM
3332
H1
TIP3
227
32.352
18.828
90.119
1.00
0.00

ATOM
3333
H2
TIP3
227
32.363
17.557
89.235
1.00
0.00

ATOM
3334
OH2
TIP3
228
27.207
69.701
74.202
1.00
32.84

ATOM
3335
H1
TIP3
228
27.186
70.672
74.165
1.00
0.00

ATOM
3336
H2
TIP3
228
27.186
69.486
73.249
1.00
0.00

ATOM
3337
OH2
TIP3
229
27.479
45.093
68.178
1.00
37.84

ATOM
3338
H1
TIP3
229
27.483
46.021
68.187
1.00
0.00

ATOM
3339
H2
TIP3
229
27.483
44.816
67.258
1.00
0.00

ATOM
3340
OH2
TIP3
230
37.205
56.043
73.914
1.00
37.92

ATOM
3341
H1
TIP3
230
37.203
57.002
73.907
1.00
0.00

ATOM
3342
H2
TIP3
230
37.203
55.806
72.981
1.00
0.00

ATOM
3343
OH2
TIP3
231
22.304
43.438
86.120
1.00
38.85

ATOM
3344
H1
TIP3
231
22.302
44.395
86.117
1.00
0.00

ATOM
3345
H2
TIP3
231
22.302
43.200
85.191
1.00
0.00

ATOM
3346
OH2
TIP3
232
38.333
43.976
79.336
1.00
35.69

ATOM
3347
H1
TIP3
232
38.328
44.928
79.294
1.00
0.00

ATOM
3348
H2
TIP3
232
38.328
43.733
78.380
1.00
0.00

ATOM
3349
OH2
TIP3
233
16.867
67.376
66.645
1.00
28.36

ATOM
3350
H1
TIP3
233
16.944
68.314
66.630
1.00
0.00

ATOM
3351
H2
TIP3
233
16.944
67.108
65.715
1.00
0.00

ATOM
3352
OH2
TIP3
234
32.553
48.070
81.478
1.00
33.63

ATOM
3353
H1
TIP3
234
32.529
49.029
81.495
1.00
0.00

ATOM
3354
H2
TIP3
234
32.529
47.836
80.558
1.00
0.00

ATOM
3355
OH2
TIP3
235
12.821
66.088
75.560
1.00
31.19

ATOM
3356
H1
TIP3
235
13.007
67.094
75.722
1.00
0.00

ATOM
3357
H2
TIP3
235
13.078
66.048
74.679
1.00
0.00

ATOM
3358
OH2
TIP3
236
6.843
46.881
60.307
1.00
35.24

ATOM
3359
H1
TIP3
236
6.894
47.835
60.307
1.00
0.00

ATOM
3360
H2
TIP3
236
6.894
46.639
59.380
1.00
0.00

ATOM
3361
OH2
TIP3
237
4.319
36.931
69.617
1.00
38.31

ATOM
3362
H1
TIP3
237
4.340
37.876
69.583
1.00
0.00

ATOM
3363
H2
TIP3
237
4.340
36.678
68.670
1.00
0.00

ATOM
3364
OH2
TIP3
238
31.461
33.832
65.405
1.00
35.68

ATOM
3365
H1
TIP3
238
31.412
34.791
65.419
1.00
0.00

ATOM
3366
H2
TIP3
238
31.412
33.596
64.486
1.00
0.00

ATOM
3367
OH2
TIP3
239
39.307
48.339
75.826
1.00
25.00

ATOM
3368
H1
TIP3
239
39.273
49.294
75.832
1.00
0.00

ATOM
3369
H2
TIP3
239
39.273
48.095
74.910
1.00
0.00

ATOM
3370
OH2
TIP3
240
32.144
39.954
63.110
1.00
36.62

ATOM
3371
H1
TIP3
240
32.196
40.964
63.098
1.00
0.00

ATOM
3372
H2
TIP3
240
32.207
39.809
62.162
1.00
0.00

ATOM
3373
OH2
TIP3
241
38.953
39.819
77.372
1.00
38.61

ATOM
3374
H1
TIP3
241
39.606
40.583
77.578
1.00
0.00

ATOM
3375
H2
TIP3
241
39.646
39.550
76.745
1.00
0.00

ATOM
3376
OH2
TIP3
242
27.548
59.716
72.066
1.00
38.18

ATOM
3377
H1
TIP3
242
27.587
60.647
71.978
1.00
0.00

ATOM
3378
H2
TIP3
242
27.512
59.450
71.210
1.00
0.00

ATOM
3379
OH2
TIP3
243
23.904
22.756
95.445
1.00
34.40

ATOM
3380
H1
TIP3
243
23.928
23.706
95.440
1.00
0.00

ATOM
3381
H2
TIP3
243
23.926
22.505
94.522
1.00
0.00

ATOM
3382
OH2
TIP3
244
19.269
30.245
72.706
1.00
32.40

ATOM
3383
H1
TIP3
244
19.258
31.201
72.720
1.00
0.00

ATOM
3384
H2
TIP3
244
19.256
30.019
71.792
1.00
0.00

ATOM
3385
OH2
TIP3
245
0.514
53.634
68.623
1.00
34.70

ATOM
3386
H1
TIP3
245
0.583
54.583
68.603
1.00
0.00

ATOM
3387
H2
TIP3
245
0.583
53.384
67.682
1.00
0.00

ATOM
3388
OH2
TIP3
246
13.727
42.324
91.224
1.00
28.93

ATOM
3389
H1
TIP3
246
13.734
43.285
91.219
1.00
0.00

ATOM
3390
H2
TIP3
246
13.734
42.085
90.295
1.00
0.00

ATOM
3391
OH2
TIP3
247
12.121
26.078
76.245
1.00
35.21

ATOM
3392
H1
TIP3
247
12.115
27.032
76.248
1.00
0.00

ATOM
3393
H2
TIP3
247
12.115
25.828
75.321
1.00
0.00

ATOM
3394
OH2
TIP3
248
26.635
27.093
75.402
1.00
41.37

ATOM
3395
H1
TIP3
248
26.936
27.361
76.195
1.00
0.00

ATOM
3396
H2
TIP3
248
26.916
26.154
75.197
1.00
0.00

ATOM
3397
OH2
TIP3
249
4.453
30.792
80.479
1.00
34.61

ATOM
3398
H1
TIP3
249
4.440
31.767
80.478
1.00
0.00

ATOM
3399
H2
TIP3
249
4.440
30.581
79.550
1.00
0.00

ATOM
3400
OH2
TIP3
250
10.746
21.117
93.065
1.00
34.69

ATOM
3401
H1
TIP3
250
10.882
22.015
93.131
1.00
0.00

ATOM
3402
H2
TIP3
250
10.869
20.735
92.219
1.00
0.00

ATOM
3403
OH2
TIP3
251
10.306
56.959
61.376
1.00
39.18

ATOM
3404
H1
TIP3
251
10.344
57.906
61.368
1.00
0.00

ATOM
3405
H2
TIP3
251
10.344
56.703
60.446
1.00
0.00

ATOM
3406
OH2
TIP3
252
19.639
44.893
88.642
1.00
30.45

ATOM
3407
H1
TIP3
252
19.629
45.858
88.629
1.00
0.00

ATOM
3408
H2
TIP3
252
19.629
44.668
87.710
1.00
0.00

ATOM
3409
OH2
TIP3
253
15.407
18.715
83.978
1.00
34.86

ATOM
3410
H1
TIP3
253
15.292
19.676
83.830
1.00
0.00

ATOM
3411
H2
TIP3
253
15.355
18.477
83.021
1.00
0.00

ATOM
3412
OH2
TIP3
254
9.191
21.414
89.085
1.00
31.02

ATOM
3413
H1
TIP3
254
9.127
22.355
89.110
1.00
0.00

ATOM
3414
H2
TIP3
254
9.127
21.152
88.178
1.00
0.00

ATOM
3415
OH2
TIP3
255
7.949
25.146
81.387
1.00
35.28

ATOM
3416
H1
TIP3
255
8.094
26.095
81.404
1.00
0.00

ATOM
3417
H2
TIP3
255
8.095
24.899
80.472
1.00
0.00

ATOM
3418
OH2
TIP3
256
34.958
38.845
65.354
1.00
35.59

ATOM
3419
H1
TIP3
256
35.003
39.804
65.364
1.00
0.00

ATOM
3420
H2
TIP3
256
35.003
38.611
64.433
1.00
0.00

ATOM
3421
S
SO4
901
20.174
32.731
69.351
1.00
8.88

ATOM
3422
O1
SO4
901
19.784
32.048
70.522
1.00
8.66

ATOM
3423
O2
SO4
901
19.008
33.195
68.633
1.00
9.59

ATOM
3424
O3
SO4
901
20.991
33.872
69.811
1.00
8.42

ATOM
3425
O4
SO4
901
20.949
31.837
68.511
1.00
7.06

ATOM
3426
S
SO4
902
39.464
37.832
73.382
1.00
27.67

ATOM
3427
O1
SO4
902
38.570
36.649
73.306
1.00
28.54

ATOM
3428
O2
SO4
902
40.301
37.833
72.264
1.00
26.97

ATOM
3429
O3
SO4
902
38.647
39.016
73.378
1.00
26.59

ATOM
3430
O4
SO4
902
40.168
37.757
74.605
1.00
27.31

ATOM
3431
S
SO4
903
14.908
66.477
81.070
1.00
38.89

ATOM
3432
O1
SO4
903
14.636
65.291
80.341
1.00
39.87

ATOM
3433
O2
SO4
903
13.849
67.449
80.942
1.00
36.71

ATOM
3434
O3
SO4
903
15.068
66.086
82.452
1.00
37.21

ATOM
3435
O4
SO4
903
16.095
67.021
80.519
1.00
37.74

ATOM
3436
PA
ANP
1
24.843
41.888
87.844
1.00
36.02

ATOM
3437
O1A
ANP
1
25.011
41.910
89.325
1.00
36.27

ATOM
3438
O2A
ANP
1
23.696
41.181
87.286
1.00
35.82

ATOM
3439
O5′
ANP
1
26.156
41.369
87.121
1.00
33.31

ATOM
3440
PB
ANP
1
25.987
44.266
86.647
1.00
39.59

ATOM
3441
O1B
ANP
1
25.401
45.114
85.567
1.00
38.23

ATOM
3442
O2B
ANP
1
27.095
43.375
86.202
1.00
38.97

ATOM
3443
O3A
ANP
1
24.871
43.380
87.281
1.00
37.26

ATOM
3444
N3B
ANP
1
26.461
45.182
87.959
1.00
39.82

ATOM
3445
C5′
ANP
1
26.998
40.244
87.427
1.00
26.07

ATOM
3446
C4′
ANP
1
28.014
39.742
86.376
1.00
22.40

ATOM
3447
O4′
ANP
1
27.341
38.582
85.846
1.00
19.19

ATOM
3448
C1′
ANP
1
27.387
38.523
84.444
1.00
16.95

ATOM
3449
N9
ANP
1
26.155
37.856
84.043
1.00
13.25

ATOM
3450
C4
ANP
1
26.003
36.800
83.169
1.00
12.39

ATOM
3451
N3
ANP
1
26.965
36.131
82.438
1.00
12.21

ATOM
3452
C2
ANP
1
26.415
35.218
81.670
1.00
11.33

ATOM
3453
N1
ANP
1
25.126
34.826
81.608
1.00
10.92

ATOM
3454
C6
ANP
1
24.208
35.502
82.313
1.00
11.51

ATOM
3455
N6
ANP
1
22.907
35.158
82.165
1.00
11.52

ATOM
3456
C5
ANP
1
24.660
36.530
83.164
1.00
11.58

ATOM
3457
N7
ANP
1
23.970
37.331
84.013
1.00
12.95

ATOM
3458
C8
ANP
1
24.912
38.111
84.535
1.00
13.45

ATOM
3459
C2′
ANP
1
27.341
39.966
84.103
1.00
19.66

ATOM
3460
O2′
ANP
1
27.631
40.027
82.675
1.00
20.41

ATOM
3461
C3′
ANP
1
28.385
40.520
85.098
1.00
20.48

ATOM
3462
O3′
ANP
1
29.565
40.300
84.242
1.00
22.85

ATOM
3463
C1
DTT
1
17.791
37.806
84.959
1.00
22.39

ATOM
3464
C2
DTT
1
17.633
38.191
83.500
1.00
23.33

ATOM
3465
O3
DTT
1
18.918
38.534
82.973
1.00
22.44

ATOM
3466
O6
DTT
1
18.197
38.939
85.755
1.00
24.18

END

[0234]

6

TABLE 4

Coordinates of Lck bound with staurosporine (soaked)

Atom

Type
Res
#
X
Y
Z
Occ
B

ATOM
1
CB
LYS
231
1.760
26.587
89.190
1.00
18.15

ATOM
2
CG
LYS
231
0.804
26.486
88.016
1.00
19.78

ATOM
3
CD
LYS
231
1.297
25.440
87.044
1.00
21.94

ATOM
4
CE
LYS
231
0.737
25.667
85.678
1.00
21.71

ATOM
5
NZ
LYS
231
1.363
24.735
84.727
1.00
25.80

ATOM
9
C
LYS
231
2.208
27.249
91.505
1.00
16.44

ATOM
10
O
LYS
231
3.298
27.799
91.498
1.00
16.57

ATOM
13
N
LYS
231
1.232
28.896
89.968
1.00
18.23

ATOM
15
CA
LYS
231
1.255
27.440
90.349
1.00
17.63

ATOM
16
N
PRO
232
1.814
26.446
92.511
1.00
16.47

ATOM
17
CD
PRO
232
0.580
25.644
92.633
1.00
16.83

ATOM
18
CA
PRO
232
2.697
26.208
93.656
1.00
15.75

ATOM
19
CB
PRO
232
1.854
25.276
94.530
1.00
16.74

ATOM
20
CG
PRO
232
1.031
24.515
93.519
1.00
16.11

ATOM
21
C
PRO
232
3.957
25.516
93.146
1.00
15.08

ATOM
22
O
PRO
232
3.914
24.803
92.155
1.00
11.56

ATOM
23
N
TRP
233
5.061
25.660
93.878
1.00
14.93

ATOM
25
CA
TRP
233
6.315
25.098
93.442
1.00
15.30

ATOM
26
CB
TRP
233
7.432
25.348
94.482
1.00
16.73

ATOM
27
CG
TRP
233
7.278
24.559
95.770
1.00
15.82

ATOM
28
CD2
TRP
233
7.695
23.204
96.006
1.00
16.47

ATOM
29
CE2
TRP
233
7.336
22.873
97.331
1.00
16.40

ATOM
30
CE3
TRP
233
8.344
22.232
95.222
1.00
16.08

ATOM
31
CD1
TRP
233
6.707
24.989
96.926
1.00
15.21

ATOM
32
NE1
TRP
233
6.741
23.982
97.877
1.00
15.51

ATOM
34
CZ2
TRP
233
7.590
21.615
97.898
1.00
17.54

ATOM
35
CZ3
TRP
233
8.600
20.980
95.785
1.00
16.04

ATOM
36
CH2
TRP
233
8.217
20.684
97.112
1.00
17.08

ATOM
37
C
TRP
233
6.272
23.631
93.062
1.00
15.78

ATOM
38
O
TRP
233
6.950
23.237
92.114
1.00
16.43

ATOM
39
N
TRP
234
5.431
22.844
93.739
1.00
14.38

ATOM
41
CA
TRP
234
5.354
21.401
93.463
1.00
15.29

ATOM
42
CB
TRP
234
4.686
20.603
94.620
1.00
13.76

ATOM
43
CG
TRP
234
3.293
21.032
94.983
1.00
11.08

ATOM
44
CD2
TRP
234
2.904
21.976
96.002
1.00
12.03

ATOM
45
CE2
TRP
234
1.497
22.087
95.950
1.00
11.40

ATOM
46
CE3
TRP
234
3.610
22.756
96.923
1.00
13.92

ATOM
47
CD1
TRP
234
2.146
20.610
94.399
1.00
12.07

ATOM
48
NE1
TRP
234
1.067
21.234
94.965
1.00
11.51

ATOM
50
CZ2
TRP
234
0.765
22.914
96.804
1.00
13.55

ATOM
51
CZ3
TRP
234
2.886
23.596
97.785
1.00
14.90

ATOM
52
CH2
TRP
234
1.464
23.677
97.705
1.00
13.08

ATOM
53
C
TRP
234
4.718
21.054
92.135
1.00
15.90

ATOM
54
O
TRP
234
4.763
19.905
91.708
1.00
15.35

ATOM
55
N
GLU
235
4.076
22.030
91.508
1.00
16.06

ATOM
57
CA
GLU
235
3.483
21.823
90.182
1.00
17.45

ATOM
58
CB
GLU
235
1.978
22.133
90.187
1.00
18.24

ATOM
59
CG
GLU
235
1.124
21.155
90.988
1.00
20.36

ATOM
60
CD
GLU
235
−0.372
21.423
90.895
1.00
23.76

ATOM
61
OE1
GLU
235
−0.814
22.410
90.254
1.00
25.31

ATOM
62
OE2
GLU
235
−1.122
20.611
91.457
1.00
23.55

ATOM
63
C
GLU
235
4.134
22.720
89.138
1.00
17.15

ATOM
64
O
GLU
235
3.820
22.648
87.952
1.00
18.56

ATOM
65
N
ASP
236
4.949
23.646
89.619
1.00
16.90

ATOM
67
CA
ASP
236
5.608
24.611
88.736
1.00
15.75

ATOM
68
CB
ASP
236
6.242
25.697
89.608
1.00
16.17

ATOM
69
CG
ASP
236
6.798
26.867
88.800
1.00
18.56

ATOM
70
OD1
ASP
236
6.726
26.899
87.570
1.00
17.21

ATOM
71
OD2
ASP
236
7.326
27.820
89.384
1.00
19.46

ATOM
72
C
ASP
236
6.651
23.950
87.841
1.00
15.80

ATOM
73
O
ASP
236
7.690
23.480
88.298
1.00
13.78

ATOM
74
N
ALA
237
6.393
23.961
86.543
1.00
14.20

ATOM
76
CA
ALA
237
7.356
23.384
85.605
1.00
15.78

ATOM
77
CB
ALA
237
6.829
23.514
84.163
1.00
15.97

ATOM
78
C
ALA
237
8.752
24.012
85.721
1.00
14.92

ATOM
79
O
ALA
237
9.723
23.383
85.391
1.00
14.31

ATOM
80
N
TRP
238
8.840
25.236
86.253
1.00
12.87

ATOM
82
CA
TRP
238
10.129
25.922
86.425
1.00
13.04

ATOM
83
CB
TRP
238
9.954
27.442
86.287
1.00
15.24

ATOM
84
CG
TRP
238
10.073
27.900
84.882
1.00
20.51

ATOM
85
CD2
TRP
238
9.031
28.268
84.008
1.00
22.57

ATOM
86
CE2
TRP
238
9.588
28.593
82.759
1.00
23.44

ATOM
87
CE3
TRP
238
7.634
28.388
84.155
1.00
23.00

ATOM
88
CD1
TRP
238
11.235
28.000
84.145
1.00
19.47

ATOM
89
NE1
TRP
238
10.968
28.401
82.876
1.00
21.43

ATOM
91
CZ2
TRP
238
8.864
28.997
81.674
1.00
24.52

ATOM
92
CZ3
TRP
238
6.907
28.782
83.099
1.00
25.91

ATOM
93
CH2
TRP
238
7.506
29.101
81.866
1.00
27.33

ATOM
94
C
TRP
238
10.953
25.631
87.693
1.00
12.20

ATOM
95
O
TRP
238
12.176
25.908
87.733
1.00
12.35

ATOM
96
N
GLU
239
10.315
25.146
88.747
1.00
10.34

ATOM
98
CA
GLU
239
11.049
24.844
89.979
1.00
10.08

ATOM
99
CB
GLU
239
10.073
24.461
91.128
1.00
9.78

ATOM
100
CG
GLU
239
10.736
24.336
92.513
1.00
11.32

ATOM
101
CD
GLU
239
10.896
25.689
93.246
1.00
11.67

ATOM
102
OE1
GLU
239
10.190
26.651
92.913
1.00
11.98

ATOM
103
OE2
GLU
239
11.718
25.788
94.189
1.00
13.38

ATOM
104
C
GLU
239
12.012
23.677
89.790
1.00
9.39

ATOM
105
O
GLU
239
11.657
22.701
89.136
1.00
10.05

ATOM
106
N
VAL
240
13.243
23.818
90.267
1.00
9.86

ATOM
108
CA
VAL
240
14.189
22.719
90.244
1.00
10.68

ATOM
109
CB
VAL
240
15.369
22.907
89.192
1.00
12.91

ATOM
110
CG1
VAL
240
14.833
22.947
87.766
1.00
13.06

ATOM
111
CG2
VAL
240
16.212
24.189
89.520
1.00
12.60

ATOM
112
C
VAL
240
14.832
22.564
91.629
1.00
12.37

ATOM
113
O
VAL
240
15.017
23.557
92.355
1.00
11.55

ATOM
114
N
PRO
241
15.155
21.317
92.027
1.00
12.09

ATOM
115
CD
PRO
241
14.718
20.058
91.401
1.00
12.63

ATOM
116
CA
PRO
241
15.799
21.069
93.321
1.00
12.13

ATOM
117
CB
PRO
241
15.978
19.546
93.314
1.00
12.25

ATOM
118
CG
PRO
241
14.760
19.070
92.581
1.00
14.30

ATOM
119
C
PRO
241
17.156
21.771
93.244
1.00
12.10

ATOM
120
O
PRO
241
17.823
21.782
92.183
1.00
8.60

ATOM
121
N
ARG
242
17.579
22.372
94.352
1.00
11.24

ATOM
123
CA
ARG
242
18.835
23.085
94.383
1.00
13.70

ATOM
124
CB
ARG
242
18.987
23.859
95.694
1.00
14.96

ATOM
125
CG
ARG
242
20.154
24.871
95.692
1.00
21.92

ATOM
126
CD
ARG
242
20.611
25.208
97.126
1.00
26.26

ATOM
127
NE
ARG
242
19.454
25.535
97.957
1.00
31.84

ATOM
129
CZ
ARG
242
18.881
26.725
97.964
1.00
31.27

ATOM
130
NH1
ARG
242
19.384
27.680
97.214
1.00
33.78

ATOM
133
NH2
ARG
242
17.727
26.903
98.588
1.00
34.79

ATOM
136
C
ARG
242
20.053
22.179
94.124
1.00
14.87

ATOM
137
O
ARG
242
21.111
22.641
93.681
1.00
13.69

ATOM
138
N
GLU
243
19.852
20.878
94.327
1.00
12.60

ATOM
140
CA
GLU
243
20.879
19.857
94.087
1.00
15.16

ATOM
141
CB
GLU
243
20.359
18.482
94.537
1.00
15.64

ATOM
142
CG
GLU
243
20.243
18.312
96.035
1.00
21.87

ATOM
143
CD
GLU
243
19.087
19.087
96.647
1.00
24.48

ATOM
144
OE1
GLU
243
18.067
19.266
95.960
1.00
24.61

ATOM
145
OE2
GLU
243
19.190
19.482
97.840
1.00
27.96

ATOM
146
C
GLU
243
21.282
19.754
92.604
1.00
14.70

ATOM
147
O
GLU
243
22.346
19.229
92.259
1.00
14.38

ATOM
148
N
THR
244
20.411
20.220
91.718
1.00
13.51

ATOM
150
CA
THR
244
20.699
20.168
90.280
1.00
12.07

ATOM
151
CB
THR
244
19.385
20.374
89.418
1.00
10.75

ATOM
152
OG1
THR
244
18.888
21.707
89.565
1.00
10.55

ATOM
154
CG2
THR
244
18.290
19.402
89.858
1.00
13.15

ATOM
155
C
THR
244
21.760
21.199
89.833
1.00
10.76

ATOM
156
O
THR
244
22.269
21.168
88.705
1.00
10.97

ATOM
157
N
LEU
245
22.148
22.077
90.746
1.00
8.88

ATOM
159
CA
LEU
245
23.061
23.165
90.379
1.00
9.31

ATOM
160
CB
LEU
245
22.368
24.506
90.651
1.00
10.49

ATOM
161
CG
LEU
245
20.914
24.742
90.150
1.00
11.43

ATOM
162
CD1
LEU
245
20.382
26.019
90.797
1.00
13.57

ATOM
163
CD2
LEU
245
20.877
24.853
88.650
1.00
11.87

ATOM
164
C
LEU
245
24.393
23.193
91.083
1.00
10.95

ATOM
165
O
LEU
245
24.495
22.971
92.300
1.00
9.05

ATOM
166
N
LYS
246
25.416
23.518
90.317
1.00
10.85

ATOM
168
CA
LYS
246
26.762
23.622
90.837
1.00
13.86

ATOM
169
CB
LYS
246
27.611
22.471
90.288
1.00
15.07

ATOM
170
CG
LYS
246
29.054
22.496
90.773
1.00
22.47

ATOM
171
CD
LYS
246
29.873
21.474
89.971
1.00
27.84

ATOM
172
CE
LYS
246
31.201
21.130
90.636
1.00
30.47

ATOM
173
NZ
LYS
246
31.003
20.227
91.823
1.00
34.63

ATOM
177
C
LYS
246
27.311
24.958
90.362
1.00
12.07

ATOM
178
O
LYS
246
27.438
25.151
89.148
1.00
14.04

ATOM
179
N
LEU
247
27.550
25.878
91.299
0.60
10.03

ATOM
181
CA
LEU
247
28.062
27.225
91.030
0.60
10.15

ATOM
182
CB
LEU
247
27.574
28.203
92.116
0.60
9.32

ATOM
183
CG
LEU
247
26.175
28.846
92.001
0.60
10.50

ATOM
184
CD1
LEU
247
25.107
27.817
91.828
0.60
10.50

ATOM
185
CD2
LEU
247
25.882
29.702
93.248
0.60
10.58

ATOM
186
C
LEU
247
29.587
27.226
90.925
0.60
10.90

ATOM
187
O
LEU
247
30.281
26.783
91.830
0.60
9.54

ATOM
188
N
VAL
248
30.106
27.705
89.803
1.00
12.69

ATOM
190
CA
VAL
248
31.547
27.639
89.569
1.00
15.63

ATOM
191
CB
VAL
248
31.834
26.802
88.298
1.00
16.91

ATOM
192
CG1
VAL
248
33.337
26.609
88.100
1.00
18.84

ATOM
193
CG2
VAL
248
31.163
25.438
88.418
1.00
15.03

ATOM
194
C
VAL
248
32.328
28.947
89.556
1.00
16.65

ATOM
195
O
VAL
248
33.435
28.985
90.045
1.00
19.01

ATOM
196
N
GLU
249
31.759
30.034
89.046
1.00
16.72

ATOM
198
CA
GLU
249
32.487
31.279
88.985
1.00
16.72

ATOM
199
CB
GLU
249
33.278
31.332
87.659
1.00
20.55

ATOM
200
CG
GLU
249
34.366
32.418
87.599
1.00
26.95

ATOM
201
CD
GLU
249
34.777
32.796
86.158
1.00
29.78

ATOM
202
OE1
GLU
249
34.916
31.893
85.301
1.00
32.71

ATOM
203
OE2
GLU
249
34.963
34.003
85.879
1.00
31.08

ATOM
204
C
GLU
249
31.556
32.484
89.066
1.00
16.18

ATOM
205
O
GLU
249
30.524
32.519
88.422
1.00
14.44

ATOM
206
N
ARG
250
31.958
33.498
89.826
1.00
14.75

ATOM
208
CA
ARG
250
31.149
34.697
89.970
1.00
16.31

ATOM
209
CB
ARG
250
31.586
35.481
91.206
1.00
18.34

ATOM
210
CG
ARG
250
30.578
36.542
91.602
1.00
24.42

ATOM
211
CD
ARG
250
30.650
36.833
93.108
1.00
29.12

ATOM
212
NE
ARG
250
32.020
37.004
93.581
1.00
34.21

ATOM
214
CZ
ARG
250
32.474
36.540
94.752
1.00
38.12

ATOM
215
NH1
ARG
250
31.658
35.886
95.591
1.00
38.43

ATOM
218
NH2
ARG
250
33.760
36.673
95.064
1.00
38.12

ATOM
221
C
ARG
250
31.216
35.590
88.737
1.00
13.14

ATOM
222
O
ARG
250
32.285
35.858
88.232
1.00
13.08

ATOM
223
N
LEU
251
30.062
35.972
88.205
1.00
12.68

ATOM
224
H
LEU
251
29.248
35.608
88.573
1.00
20.00

ATOM
225
CA
LEU
251
30.012
36.833
87.024
1.00
11.57

ATOM
226
CB
LEU
251
28.920
36.356
86.071
1.00
10.45

ATOM
227
CG
LEU
251
29.000
34.881
85.622
1.00
10.47

ATOM
228
CD1
LEU
251
27.692
34.513
84.926
1.00
10.51

ATOM
229
CD2
LEU
251
30.194
34.549
84.674
1.00
9.63

ATOM
230
C
LEU
251
29.757
38.290
87.354
1.00
12.84

ATOM
231
O
LEU
251
30.110
39.141
86.586
1.00
12.85

ATOM
232
N
GLY
252
29.043
38.534
88.454
1.00
14.06

ATOM
234
CA
GLY
252
28.697
39.889
88.879
1.00
16.48

ATOM
235
C
GLY
252
28.247
39.871
90.337
1.00
18.50

ATOM
236
O
GLY
252
27.860
38.831
90.871
1.00
18.48

ATOM
237
N
ALA
253
28.377
40.997
91.032
1.00
20.36

ATOM
239
CA
ALA
253
27.977
41.046
92.430
1.00
22.25

ATOM
240
CB
ALA
253
29.170
40.793
93.359
1.00
22.29

ATOM
241
C
ALA
253
27.333
42.364
92.753
1.00
24.41

ATOM
242
O
ALA
253
27.654
43.386
92.154
1.00
25.47

ATOM
243
N
GLY
254
26.457
42.365
93.744
1.00
24.62

ATOM
245
CA
GLY
254
25.782
43.592
94.068
1.00
25.95

ATOM
246
C
GLY
254
25.166
43.611
95.431
1.00
25.48

ATOM
247
O
GLY
254
25.350
42.700
96.222
1.00
25.92

ATOM
248
N
GLN
255
24.527
44.737
95.722
1.00
26.31

ATOM
250
CA
GLN
255
23.874
44.957
96.998
1.00
26.64

ATOM
251
CB
GLN
255
23.446
46.419
97.064
1.00
29.75

ATOM
252
CG
GLN
255
22.747
46.856
98.322
1.00
34.10

ATOM
253
CD
GLN
255
22.017
48.171
98.121
1.00
36.38

ATOM
254
OE1
GLN
255
21.131
48.519
98.905
1.00
38.79

ATOM
255
NE2
GLN
255
22.362
48.896
97.053
1.00
36.30

ATOM
258
C
GLN
255
22.682
44.026
97.195
1.00
25.12

ATOM
259
O
GLN
255
22.359
43.641
98.325
1.00
25.75

ATOM
260
N
ALA
256
22.090
43.594
96.077
1.00
22.09

ATOM
261
H
ALA
256
22.487
43.881
95.233
1.00
20.00

ATOM
262
CA
ALA
256
20.935
42.685
96.077
1.00
21.90

ATOM
263
CB
ALA
256
19.911
43.108
94.982
1.00
20.60

ATOM
264
C
ALA
256
21.291
41.210
95.867
1.00
19.44

ATOM
265
O
ALA
256
20.440
40.347
95.964
1.00
15.55

ATOM
266
N
GLY
257
22.552
40.934
95.517
1.00
18.47

ATOM
268
CA
GLY
257
22.937
39.558
95.310
1.00
16.24

ATOM
269
C
GLY
257
24.099
39.430
94.354
1.00
15.18

ATOM
270
O
GLY
257
24.812
40.409
94.037
1.00
13.21

ATOM
271
N
GLU
258
24.241
38.212
93.832
1.00
13.24

ATOM
273
CA
GLU
258
25.292
37.891
92.911
1.00
13.69

ATOM
274
CB
GLU
258
26.321
37.003
93.639
1.00
14.93

ATOM
275
CG
GLU
258
26.843
37.599
94.953
1.00
19.82

ATOM
276
CD
GLU
258
28.028
36.822
95.491
1.00
21.99

ATOM
277
OE1
GLU
258
27.927
35.579
95.638
1.00
22.59

ATOM
278
OE2
GLU
258
29.072
37.457
95.699
1.00
23.01

ATOM
279
C
GLU
258
24.742
37.130
91.709
1.00
12.11

ATOM
280
O
GLU
258
23.557
36.707
91.717
1.00
12.35

ATOM
281
N
VAL
259
25.577
36.995
90.694
1.00
9.59

ATOM
282
H
VAL
259
26.474
37.374
90.786
1.00
20.00

ATOM
283
CA
VAL
259
25.275
36.217
89.519
1.00
10.11

ATOM
284
CB
VAL
259
24.980
37.045
88.216
1.00
11.85

ATOM
285
CG1
VAL
259
24.607
36.055
87.038
1.00
9.66

ATOM
286
CG2
VAL
259
23.823
38.034
88.430
1.00
10.23

ATOM
287
C
VAL
259
26.500
35.388
89.299
1.00
10.60

ATOM
288
O
VAL
259
27.644
35.919
89.313
1.00
10.25

ATOM
289
N
TRP
260
26.279
34.089
89.199
1.00
9.34

ATOM
291
CA
TRP
260
27.307
33.090
89.022
1.00
9.50

ATOM
292
CB
TRP
260
27.269
32.103
90.194
1.00
10.92

ATOM
293
CG
TRP
260
27.761
32.642
91.486
1.00
12.43

ATOM
294
CD2
TRP
260
29.008
32.329
92.089
1.00
12.30

ATOM
295
CE2
TRP
260
29.119
33.128
93.248
1.00
14.82

ATOM
296
CE3
TRP
260
30.071
31.488
91.758
1.00
14.96

ATOM
297
CD1
TRP
260
27.135
33.529
92.281
1.00
13.18

ATOM
298
NE1
TRP
260
27.947
33.832
93.362
1.00
17.08

ATOM
300
CZ2
TRP
260
30.238
33.081
94.093
1.00
17.64

ATOM
301
CZ3
TRP
260
31.199
31.429
92.613
1.00
16.99

ATOM
302
CH2
TRP
260
31.273
32.246
93.745
1.00
14.69

ATOM
303
C
TRP
260
27.080
32.231
87.800
1.00
9.88

ATOM
304
O
TRP
260
25.944
31.967
87.419
1.00
8.95

ATOM
305
N
MET
261
28.163
31.821
87.161
1.00
8.87

ATOM
307
CA
MET
261
28.038
30.878
86.085
1.00
10.46

ATOM
308
CB
MET
261
29.247
30.988
85.136
1.00
12.42

ATOM
309
CG
MET
261
29.262
29.954
83.987
1.00
16.57

ATOM
310
SD
MET
261
30.294
28.517
84.361
1.00
22.32

ATOM
311
CE
MET
261
29.294
27.235
83.989
1.00
23.08

ATOM
312
C
MET
261
28.056
29.525
86.781
1.00
9.83

ATOM
313
O
MET
261
28.834
29.330
87.742
1.00
9.64

ATOM
314
N
GLY
262
27.208
28.607
86.341
1.00
8.72

ATOM
316
CA
GLY
262
27.166
27.301
86.966
1.00
11.89

ATOM
317
C
GLY
262
26.724
26.246
85.969
1.00
10.57

ATOM
318
O
GLY
262
26.624
26.513
84.758
1.00
9.80

ATOM
319
N
TYR
263
26.497
25.042
86.465
1.00
9.01

ATOM
321
CA
TYR
263
26.035
23.960
85.621
1.00
11.02

ATOM
322
CB
TYR
263
27.097
22.855
85.485
1.00
12.51

ATOM
323
CG
TYR
263
28.293
23.213
84.655
1.00
14.55

ATOM
324
CD1
TYR
263
29.438
23.724
85.239
1.00
18.08

ATOM
325
CE1
TYR
263
30.546
24.079
84.461
1.00
20.09

ATOM
326
CD2
TYR
263
28.269
23.049
83.277
1.00
18.00

ATOM
327
CE2
TYR
263
29.333
23.398
82.502
1.00
19.77

ATOM
328
CZ
TYR
263
30.472
23.907
83.085
1.00
21.42

ATOM
329
OH
TYR
263
31.509
24.270
82.257
1.00
23.89

ATOM
331
C
TYR
263
24.802
23.330
86.196
1.00
10.30

ATOM
332
O
TYR
263
24.747
23.067
87.393
1.00
9.29

ATOM
333
N
TYR
264
23.829
23.092
85.327
1.00
9.14

ATOM
335
CA
TYR
264
22.598
22.418
85.668
1.00
9.25

ATOM
336
CB
TYR
264
21.389
23.039
84.904
1.00
8.14

ATOM
337
CG
TYR
264
20.125
22.250
85.107
1.00
8.30

ATOM
338
CD1
TYR
264
19.414
22.336
86.296
1.00
9.38

ATOM
339
CE1
TYR
264
18.277
21.535
86.521
1.00
10.86

ATOM
340
CD2
TYR
264
19.660
21.345
84.113
1.00
10.42

ATOM
341
CE2
TYR
264
18.504
20.541
84.338
1.00
11.07

ATOM
342
CZ
TYR
264
17.818
20.667
85.546
1.00
11.93

ATOM
343
OH
TYR
264
16.644
19.967
85.764
1.00
12.25

ATOM
345
C
TYR
264
22.755
20.991
85.244
1.00
7.93

ATOM
346
O
TYR
264
23.097
20.730
84.084
1.00
7.75

ATOM
347
N
ASN
265
22.556
20.068
86.177
1.00
8.78

ATOM
349
CA
ASN
265
22.656
18.630
85.940
1.00
7.73

ATOM
350
CB
ASN
265
21.432
18.107
85.138
1.00
9.37

ATOM
351
CG
ASN
265
20.195
17.820
86.027
1.00
10.68

ATOM
352
OD1
ASN
265
19.201
17.236
85.555
1.00
14.15

ATOM
353
ND2
ASN
265
20.277
18.151
87.295
1.00
6.80

ATOM
356
C
ASN
265
23.976
18.213
85.297
1.00
7.98

ATOM
357
O
ASN
265
24.000
17.505
84.261
1.00
7.72

ATOM
358
N
GLY
266
25.043
18.836
85.810
1.00
6.07

ATOM
360
CA
GLY
266
26.401
18.561
85.350
1.00
7.41

ATOM
361
C
GLY
266
26.851
19.058
83.986
1.00
7.01

ATOM
362
O
GLY
266
27.974
19.487
83.871
1.00
9.23

ATOM
363
N
HIS
267
25.968
19.138
83.003
0.49
2.00

ATOM
365
CA
HIS
267
26.385
19.498
81.649
0.49
2.00

ATOM
366
CB
HIS
267
25.879
18.404
80.711
0.49
2.00

ATOM
367
CG
HIS
267
26.427
17.062
81.012
0.49
2.00

ATOM
368
CD2
HIS
267
25.850
15.925
81.413
0.49
2.00

ATOM
369
ND1
HIS
267
27.795
16.791
80.933
0.49
2.00

ATOM
371
CE1
HIS
267
27.995
15.546
81.278
0.49
2.00

ATOM
372
NE2
HIS
267
26.840
14.982
81.578
0.49
2.00

ATOM
374
C
HIS
267
25.966
20.815
81.027
0.49
2.09

ATOM
375
O
HIS
267
26.543
21.266
80.034
0.49
2.00

ATOM
376
N
THR
268
24.935
21.423
81.586
1.00
4.73

ATOM
377
H
THR
268
24.525
21.095
82.409
1.00
20.00

ATOM
378
CA
THR
268
24.404
22.625
80.944
1.00
5.55

ATOM
379
CB
THR
268
22.859
22.525
80.846
1.00
7.68

ATOM
380
OG1
THR
268
22.512
21.310
80.149
1.00
9.02

ATOM
382
CG2
THR
268
22.274
23.755
80.100
1.00
5.22

ATOM
383
C
THR
268
24.803
23.892
81.652
1.00
6.63

ATOM
384
O
THR
268
24.513
24.093
82.850
1.00
6.37

ATOM
385
N
LYS
269
25.546
24.706
80.928
1.00
5.70

ATOM
387
CA
LYS
269
25.997
25.980
81.437
1.00
7.60

ATOM
388
CB
LYS
269
27.008
26.557
80.441
1.00
11.19

ATOM
389
CG
LYS
269
28.112
27.299
81.092
1.00
19.64

ATOM
390
CD
LYS
269
29.454
27.141
80.346
1.00
24.28

ATOM
391
CE
LYS
269
30.292
28.414
80.570
1.00
28.05

ATOM
392
NZ
LYS
269
31.712
28.462
80.031
1.00
29.11

ATOM
396
C
LYS
269
24.835
26.970
81.591
1.00
6.80

ATOM
397
O
LYS
269
24.107
27.215
80.617
1.00
4.51

ATOM
398
N
VAL
270
24.729
27.609
82.759
1.00
4.20

ATOM
400
CA
VAL
270
23.665
28.550
83.073
1.00
5.51

ATOM
401
CB
VAL
270
22.487
27.835
83.862
1.00
5.12

ATOM
402
CG1
VAL
270
21.848
26.691
83.028
1.00
5.11

ATOM
403
CG2
VAL
270
23.005
27.227
85.215
1.00
4.28

ATOM
404
C
VAL
270
24.196
29.670
83.985
1.00
4.46

ATOM
405
O
VAL
270
25.323
29.602
84.495
1.00
5.70

ATOM
406
N
ALA
271
23.427
30.735
84.117
1.00
4.49

ATOM
408
CA
ALA
271
23.749
31.844
85.016
1.00
5.32

ATOM
409
CB
ALA
271
23.510
33.201
84.315
1.00
5.88

ATOM
410
C
ALA
271
22.807
31.730
86.169
1.00
6.25

ATOM
411
O
ALA
271
21.619
31.496
85.963
1.00
6.40

ATOM
412
N
VAL
272
23.311
31.871
87.376
1.00
7.01

ATOM
414
CA
VAL
272
22.501
31.778
88.577
1.00
8.53

ATOM
415
CB
VAL
272
22.991
30.643
89.516
1.00
10.04

ATOM
416
CG1
VAL
272
22.089
30.562
90.776
1.00
8.99

ATOM
417
CG2
VAL
272
22.962
29.341
88.754
1.00
9.42

ATOM
418
C
VAL
272
22.551
33.066
89.373
1.00
8.99

ATOM
419
O
VAL
272
23.604
33.496
89.799
1.00
9.70

ATOM
420
N
LYS
273
21.397
33.713
89.473
1.00
10.49

ATOM
422
CA
LYS
273
21.250
34.941
90.240
1.00
12.00

ATOM
423
CB
LYS
273
20.196
35.824
89.540
1.00
14.81

ATOM
424
CG
LYS
273
20.151
37.282
90.025
1.00
20.98

ATOM
425
CD
LYS
273
19.145
38.096
89.197
1.00
21.51

ATOM
426
CE
LYS
273
19.180
39.574
89.551
1.00
25.70

ATOM
427
NZ
LYS
273
18.104
40.361
88.885
1.00
26.23

ATOM
431
C
LYS
273
20.778
34.571
91.660
1.00
12.95

ATOM
432
O
LYS
273
19.717
33.951
91.823
1.00
10.71

ATOM
433
N
SER
274
21.572
34.907
92.662
1.00
11.60

ATOM
435
CA
SER
274
21.239
34.619
94.053
1.00
14.29

ATOM
436
CB
SER
274
22.491
34.100
94.762
1.00
15.73

ATOM
437
OG
SER
274
23.481
35.139
94.783
1.00
18.57

ATOM
439
C
SER
274
20.792
35.880
94.777
1.00
16.33

ATOM
440
O
SER
274
21.347
36.931
94.557
1.00
16.75

ATOM
441
N
LEU
275
19.812
35.772
95.658
1.00
17.75

ATOM
443
CA
LEU
275
19.364
36.926
96.416
1.00
19.66

ATOM
444
CB
LEU
275
17.874
36.790
96.750
1.00
17.82

ATOM
445
CG
LEU
275
17.242
37.763
97.782
1.00
18.34

ATOM
446
CD1
LEU
275
17.364
39.217
97.340
1.00
16.13

ATOM
447
CD2
LEU
275
15.773
37.399
97.936
1.00
19.31

ATOM
448
C
LEU
275
20.136
37.100
97.708
1.00
20.05

ATOM
449
O
LEU
275
20.235
36.168
98.520
1.00
21.68

ATOM
450
N
LYS
276
20.678
38.291
97.915
1.00
21.85

ATOM
452
CA
LYS
276
21.344
38.566
99.161
1.00
22.31

ATOM
453
CB
LYS
276
22.108
39.880
99.083
1.00
22.82

ATOM
454
CG
LYS
276
22.633
40.254
100.446
1.00
23.68

ATOM
455
CD
LYS
276
23.468
41.476
100.398
1.00
23.56

ATOM
456
CE
LYS
276
24.054
41.658
101.760
1.00
26.66

ATOM
457
NZ
LYS
276
25.196
42.568
101.684
1.00
28.24

ATOM
461
C
LYS
276
20.266
38.685
100.241
1.00
23.91

ATOM
462
O
LYS
276
19.513
39.656
100.269
1.00
22.65

ATOM
463
N
ALA
277
20.162
37.673
101.091
1.00
25.44

ATOM
465
CA
ALA
277
19.147
37.644
102.135
1.00
28.36

ATOM
466
CB
ALA
277
19.387
36.469
103.085
1.00
27.71

ATOM
467
C
ALA
277
19.046
38.925
102.913
1.00
28.32

ATOM
468
O
ALA
277
20.033
39.430
103.427
1.00
31.33

ATOM
469
N
GLY
278
17.857
39.515
102.899
1.00
29.93

ATOM
471
CA
GLY
278
17.618
40.743
103.638
1.00
29.72

ATOM
472
C
GLY
278
17.743
42.014
102.841
1.00
30.31

ATOM
473
O
GLY
278
17.208
43.047
103.231
1.00
31.97

ATOM
474
N
SER
279
18.424
41.945
101.705
1.00
29.29

ATOM
476
CA
SER
279
18.618
43.119
100.863
1.00
27.22

ATOM
477
CB
SER
279
19.657
42.833
99.784
1.00
27.32

ATOM
478
OG
SER
279
19.144
41.896
98.846
1.00
27.64

ATOM
480
C
SER
279
17.359
43.602
100.183
1.00
26.04

ATOM
481
O
SER
279
17.230
44.747
99.832
1.00
26.50

ATOM
482
N
MET
280
16.492
42.668
99.844
1.00
24.08

ATOM
484
CA
MET
280
15.241
43.003
99.200
1.00
20.84

ATOM
485
CB
MET
280
15.440
43.303
97.712
1.00
22.08

ATOM
486
CG
MET
280
15.974
42.167
96.890
1.00
18.69

ATOM
487
SD
MET
280
15.987
42.519
95.137
1.00
22.52

ATOM
488
CE
MET
280
14.275
42.290
94.709
1.00
10.03

ATOM
489
C
MET
280
14.289
41.854
99.400
1.00
19.05

ATOM
490
O
MET
280
14.700
40.750
99.704
1.00
18.43

ATOM
491
N
SER
281
13.009
42.108
99.301
1.00
15.80

ATOM
493
CA
SER
281
12.032
41.073
99.498
1.00
15.96

ATOM
494
CB
SER
281
10.645
41.676
99.366
1.00
17.20

ATOM
495
OG
SER
281
9.725
40.685
98.991
1.00
16.98

ATOM
497
C
SER
281
12.156
39.928
98.493
1.00
14.42

ATOM
498
O
SER
281
12.369
40.178
97.303
1.00
15.13

ATOM
499
N
PRO
282
12.017
38.677
98.944
0.51
11.99

ATOM
500
CD
PRO
282
12.119
38.272
100.351
0.51
12.01

ATOM
501
CA
PRO
282
12.092
37.516
98.056
0.51
9.71

ATOM
502
CB
PRO
282
11.942
36.318
99.009
0.51
9.45

ATOM
503
CG
PRO
282
11.505
36.907
100.327
0.51
11.53

ATOM
504
C
PRO
282
10.971
37.570
97.000
0.51
8.44

ATOM
505
O
PRO
282
11.137
37.132
95.864
0.51
3.52

ATOM
506
N
ASP
283
9.801
38.069
97.408
1.00
9.84

ATOM
508
CA
ASP
283
8.689
38.252
96.484
1.00
10.75

ATOM
509
CB
ASP
283
7.478
38.857
97.209
1.00
15.31

ATOM
510
CG
ASP
283
6.276
39.016
96.301
1.00
18.52

ATOM
511
OD1
ASP
283
5.791
37.972
95.818
1.00
18.82

ATOM
512
OD2
ASP
283
5.809
40.169
96.061
1.00
19.91

ATOM
513
C
ASP
283
9.100
39.211
95.391
1.00
10.82

ATOM
514
O
ASP
283
8.812
38.997
94.250
1.00
10.24

ATOM
515
N
ALA
284
9.787
40.295
95.769
1.00
9.15

ATOM
517
CA
ALA
284
10.252
41.282
94.770
1.00
12.47

ATOM
518
CB
ALA
284
10.921
42.462
95.466
1.00
11.84

ATOM
519
C
ALA
284
11.250
40.642
93.803
1.00
12.12

ATOM
520
O
ALA
284
11.134
40.745
92.569
1.00
12.27

ATOM
521
N
PHE
285
12.176
39.881
94.384
1.00
13.53

ATOM
523
CA
PHE
285
13.198
39.163
93.620
1.00
12.88

ATOM
524
CB
PHE
285
14.092
38.404
94.615
1.00
10.02

ATOM
525
CG
PHE
285
15.241
37.657
93.979
1.00
9.97

ATOM
526
CD1
PHE
285
16.388
38.312
93.585
1.00
11.33

ATOM
527
CD2
PHE
285
15.171
36.266
93.824
1.00
10.09

ATOM
528
CE1
PHE
285
17.468
37.590
93.037
1.00
12.01

ATOM
529
CE2
PHE
285
16.222
35.561
93.297
1.00
8.91

ATOM
530
CZ
PHE
285
17.366
36.215
92.905
1.00
9.02

ATOM
531
C
PHE
285
12.551
38.230
92.597
1.00
13.34

ATOM
532
O
PHE
285
12.767
38.355
91.376
1.00
14.06

ATOM
533
N
LEU
286
11.645
37.378
93.082
1.00
13.73

ATOM
535
CA
LEU
286
10.950
36.406
92.251
1.00
13.26

ATOM
536
CB
LEU
286
10.195
35.405
93.118
1.00
13.89

ATOM
537
CG
LEU
286
11.161
34.471
93.851
1.00
14.02

ATOM
538
CD1
LEU
286
10.336
33.449
94.581
1.00
15.09

ATOM
539
CD2
LEU
286
12.141
33.772
92.882
1.00
14.06

ATOM
540
C
LEU
286
10.013
36.957
91.164
1.00
14.59

ATOM
541
O
LEU
286
9.770
36.292
90.126
1.00
12.36

ATOM
542
N
ALA
287
9.545
38.181
91.372
1.00
12.82

ATOM
544
CA
ALA
287
8.674
38.823
90.398
1.00
14.03

ATOM
545
CB
ALA
287
8.299
40.253
90.886
1.00
12.35

ATOM
546
C
ALA
287
9.309
38.885
89.011
1.00
12.11

ATOM
547
O
ALA
287
8.624
38.732
88.000
1.00
14.16

ATOM
548
N
GLU
288
10.616
39.149
88.967
1.00
13.07

ATOM
550
CA
GLU
288
11.337
39.210
87.702
1.00
13.61

ATOM
551
CB
GLU
288
12.823
39.550
87.924
1.00
17.54

ATOM
552
CG
GLU
288
13.514
40.087
86.624
1.00
20.67

ATOM
553
CD
GLU
288
15.010
39.853
86.585
1.00
22.80

ATOM
554
OE1
GLU
288
15.609
39.713
87.685
1.00
26.25

ATOM
555
OE2
GLU
288
15.592
39.825
85.452
1.00
23.11

ATOM
556
C
GLU
288
11.243
37.890
86.941
1.00
14.04

ATOM
557
O
GLU
288
11.074
37.858
85.713
1.00
11.37

ATOM
558
N
ALA
289
11.356
36.776
87.677
1.00
13.32

ATOM
560
CA
ALA
289
11.255
35.459
87.014
1.00
12.33

ATOM
561
CB
ALA
289
11.609
34.340
87.987
1.00
9.97

ATOM
562
C
ALA
289
9.850
35.258
86.462
1.00
11.60

ATOM
563
O
ALA
289
9.653
34.800
85.348
1.00
11.52

ATOM
564
N
ASN
290
8.839
35.611
87.257
1.00
13.27

ATOM
566
CA
ASN
290
7.457
35.477
86.807
1.00
12.41

ATOM
567
CB
ASN
290
6.502
35.901
87.931
1.00
14.49

ATOM
568
CG
ASN
290
6.524
34.917
89.099
1.00
20.55

ATOM
569
OD1
ASN
290
6.929
33.755
88.937
1.00
22.92

ATOM
570
ND2
ASN
290
6.105
35.377
90.279
1.00
22.93

ATOM
573
C
ASN
290
7.213
36.292
85.530
1.00
12.76

ATOM
574
O
ASN
290
6.540
35.854
84.595
1.00
11.17

ATOM
575
N
LEU
291
7.795
37.485
85.456
1.00
11.61

ATOM
577
CA
LEU
291
7.626
38.259
84.224
1.00
11.64

ATOM
578
CB
LEU
291
8.169
39.673
84.422
1.00
9.96

ATOM
579
CG
LEU
291
8.160
40.645
83.255
1.00
11.85

ATOM
580
CD1
LEU
291
7.872
42.090
83.793
1.00
13.57

ATOM
581
CD2
LEU
291
9.451
40.583
82.529
1.00
14.59

ATOM
582
C
LEU
291
8.346
37.596
83.032
1.00
11.11

ATOM
583
O
LEU
291
7.835
37.568
81.936
1.00
8.95

ATOM
584
N
MET
292
9.556
37.084
83.258
1.00
10.78

ATOM
586
CA
MET
292
10.318
36.453
82.163
1.00
11.56

ATOM
587
CB
MET
292
11.703
36.016
82.636
1.00
10.22

ATOM
588
CG
MET
292
12.600
37.176
83.098
1.00
10.81

ATOM
589
SD
MET
292
14.110
36.571
83.937
1.00
12.07

ATOM
590
CE
MET
292
15.113
36.169
82.522
1.00
9.73

ATOM
591
C
MET
292
9.576
35.269
81.533
1.00
13.99

ATOM
592
O
MET
292
9.781
34.955
80.375
1.00
13.51

ATOM
593
N
LYS
293
8.747
34.600
82.326
1.00
14.27

ATOM
595
CA
LYS
293
7.927
33.505
81.810
1.00
18.20

ATOM
596
CB
LYS
293
7.059
32.889
82.918
1.00
17.91

ATOM
597
CG
LYS
293
7.788
32.069
83.956
1.00
19.57

ATOM
598
CD
LYS
293
6.832
31.655
85.125
1.00
22.28

ATOM
599
CE
LYS
293
7.630
31.258
86.369
1.00
24.15

ATOM
600
NZ
LYS
293
6.765
30.817
87.547
1.00
26.53

ATOM
604
C
LYS
293
7.027
33.985
80.642
1.00
17.56

ATOM
605
O
LYS
293
6.825
33.260
79.667
1.00
19.70

ATOM
606
N
GLN
294
6.569
35.232
80.725
1.00
18.40

ATOM
608
CA
GLN
294
5.715
35.871
79.692
1.00
18.61

ATOM
609
CB
GLN
294
4.932
37.056
80.299
1.00
18.33

ATOM
610
CG
GLN
294
4.157
36.753
81.587
1.00
18.95

ATOM
611
CD
GLN
294
3.299
35.548
81.445
1.00
21.42

ATOM
612
OE1
GLN
294
2.661
35.330
80.392
1.00
25.23

ATOM
613
NE2
GLN
294
3.288
34.712
82.470
1.00
23.40

ATOM
616
C
GLN
294
6.479
36.459
78.519
1.00
18.97

ATOM
617
O
GLN
294
5.883
37.021
77.573
1.00
20.23

ATOM
618
N
LEU
295
7.799
36.476
78.608
1.00
17.18

ATOM
620
CA
LEU
295
8.571
37.061
77.539
1.00
15.88

ATOM
621
CB
LEU
295
9.206
38.391
77.978
1.00
16.19

ATOM
622
CG
LEU
295
8.265
39.561
78.250
1.00
14.51

ATOM
623
CD1
LEU
295
9.034
40.678
78.953
1.00
14.42

ATOM
624
CD2
LEU
295
7.672
40.025
76.914
1.00
14.80

ATOM
625
C
LEU
295
9.634
36.148
77.051
1.00
15.46

ATOM
626
O
LEU
295
10.808
36.414
77.229
1.00
16.92

ATOM
627
N
GLN
296
9.217
35.076
76.402
1.00
13.87

ATOM
629
CA
GLN
296
10.166
34.124
75.882
1.00
12.14

ATOM
630
CB
GLN
296
9.622
32.698
76.060
1.00
12.02

ATOM
631
CG
GLN
296
9.503
32.296
77.521
1.00
13.14

ATOM
632
CD
GLN
296
8.863
30.942
77.698
1.00
13.95

ATOM
633
OE1
GLN
296
9.306
29.989
77.113
1.00
14.90

ATOM
634
NE2
GLN
296
7.815
30.863
78.526
1.00
11.25

ATOM
637
C
GLN
296
10.377
34.436
74.422
1.00
11.43

ATOM
638
O
GLN
296
9.420
34.517
73.667
1.00
10.56

ATOM
639
N
HIS
297
11.615
34.700
74.047
1.00
8.16

ATOM
641
CA
HIS
297
11.925
35.031
72.665
1.00
7.06

ATOM
642
CB
HIS
297
11.524
36.520
72.425
1.00
8.21

ATOM
643
CG
HIS
297
11.682
36.972
71.002
1.00
7.91

ATOM
644
CD2
HIS
297
10.810
37.047
69.993
1.00
9.84

ATOM
645
ND1
HIS
297
12.919
37.329
70.475
1.00
7.23

ATOM
647
CE1
HIS
297
12.776
37.594
69.201
1.00
7.62

ATOM
648
NE2
HIS
297
11.501
37.428
68.858
1.00
8.05

ATOM
650
C
HIS
297
13.408
34.835
72.494
1.00
5.69

ATOM
651
O
HIS
297
14.156
35.019
73.484
1.00
6.84

ATOM
652
N
GLN
298
13.888
34.501
71.297
1.00
5.85

ATOM
654
CA
GLN
298
15.348
34.304
71.124
1.00
5.85

ATOM
655
CB
GLN
298
15.751
33.937
69.688
1.00
7.17

ATOM
656
CG
GLN
298
15.283
32.622
69.181
1.00
7.62

ATOM
657
CD
GLN
298
15.876
31.431
69.900
1.00
5.57

ATOM
658
OE1
GLN
298
15.131
30.570
70.307
1.00
6.33

ATOM
659
NE2
GLN
298
17.232
31.341
69.984
1.00
3.89

ATOM
662
C
GLN
298
16.203
35.502
71.486
1.00
6.17

ATOM
663
O
GLN
298
17.357
35.340
71.902
1.00
4.21

ATOM
664
N
ARG
299
15.660
36.706
71.294
1.00
5.30

ATOM
666
CA
ARG
299
16.427
37.934
71.588
1.00
5.58

ATOM
667
CB
ARG
299
16.016
39.064
70.642
1.00
5.47

ATOM
668
CG
ARG
299
16.154
38.726
69.148
1.00
5.45

ATOM
669
CD
ARG
299
17.567
39.101
68.588
1.00
6.21

ATOM
670
NE
ARG
299
18.692
38.485
69.320
1.00
4.29

ATOM
672
CZ
ARG
299
19.049
37.196
69.256
1.00
6.38

ATOM
673
NH1
ARG
299
18.364
36.337
68.501
1.00
2.92

ATOM
676
NH2
ARG
299
20.162
36.791
69.863
1.00
2.41

ATOM
679
C
ARG
299
16.369
38.420
73.047
1.00
4.17

ATOM
680
O
ARG
299
16.849
39.506
73.342
1.00
2.82

ATOM
681
N
LEU
300
15.673
37.680
73.918
1.00
2.95

ATOM
683
CA
LEU
300
15.595
37.956
75.366
1.00
5.10

ATOM
684
CB
LEU
300
14.140
38.104
75.859
1.00
6.30

ATOM
685
CG
LEU
300
13.449
39.474
75.631
1.00
6.48

ATOM
686
CD1
LEU
300
13.525
39.871
74.166
1.00
5.11

ATOM
687
CD2
LEU
300
11.972
39.426
76.097
1.00
5.95

ATOM
688
C
LEU
300
16.261
36.823
76.189
1.00
5.43

ATOM
689
O
LEU
300
16.035
35.652
75.890
1.00
8.06

ATOM
690
N
VAL
301
17.114
37.172
77.153
1.00
3.26

ATOM
692
CA
VAL
301
17.729
36.170
78.009
1.00
4.14

ATOM
693
CB
VAL
301
18.612
36.847
79.115
1.00
5.85

ATOM
694
CG1
VAL
301
18.976
35.830
80.239
1.00
6.95

ATOM
695
CG2
VAL
301
19.908
37.376
78.452
1.00
4.28

ATOM
696
C
VAL
301
16.589
35.341
78.595
1.00
4.74

ATOM
697
O
VAL
301
15.607
35.898
79.118
1.00
3.76

ATOM
698
N
ARG
302
16.655
34.034
78.353
1.00
5.01

ATOM
700
CA
ARG
302
15.582
33.093
78.747
1.00
6.78

ATOM
701
CB
ARG
302
15.586
31.885
77.760
1.00
4.29

ATOM
702
CG
ARG
302
14.425
30.854
77.977
1.00
5.87

ATOM
703
CD
ARG
302
14.589
29.621
77.023
1.00
10.00

ATOM
704
NE
ARG
302
13.653
28.529
77.330
1.00
10.74

ATOM
706
CZ
ARG
302
13.839
27.642
78.306
1.00
13.16

ATOM
707
NH1
ARG
302
14.931
27.696
79.064
1.00
10.13

ATOM
710
NH2
ARG
302
12.917
26.721
78.546
1.00
14.10

ATOM
713
C
ARG
302
15.638
32.574
80.157
1.00
4.90

ATOM
714
O
ARG
302
16.711
32.175
80.623
1.00
4.69

ATOM
715
N
LEU
303
14.497
32.607
80.849
1.00
3.59

ATOM
717
CA
LEU
303
14.419
32.026
82.175
1.00
5.79

ATOM
718
CB
LEU
303
13.045
32.312
82.820
1.00
4.46

ATOM
719
CG
LEU
303
12.798
31.556
84.147
1.00
6.09

ATOM
720
CD1
LEU
303
13.683
32.133
85.182
1.00
5.83

ATOM
721
CD2
LEU
303
11.298
31.702
84.590
1.00
5.76

ATOM
722
C
LEU
303
14.597
30.495
82.033
1.00
6.12

ATOM
723
O
LEU
303
14.016
29.880
81.137
1.00
5.68

ATOM
724
N
TYR
304
15.467
29.939
82.854
1.00
6.67

ATOM
726
CA
TYR
304
15.760
28.519
82.853
1.00
10.36

ATOM
727
CB
TYR
304
17.291
28.358
83.016
1.00
12.58

ATOM
728
CG
TYR
304
17.822
26.995
82.695
1.00
18.48

ATOM
729
CD1
TYR
304
17.631
25.921
83.579
1.00
18.80

ATOM
730
CE1
TYR
304
18.052
24.647
83.257
1.00
20.58

ATOM
731
CD2
TYR
304
18.451
26.747
81.479
1.00
19.27

ATOM
732
CE2
TYR
304
18.876
25.452
81.134
1.00
18.54

ATOM
733
CZ
TYR
304
18.670
24.416
82.021
1.00
20.02

ATOM
734
OH
TYR
304
19.095
23.141
81.707
1.00
20.08

ATOM
736
C
TYR
304
15.001
27.749
83.976
1.00
9.73

ATOM
737
O
TYR
304
14.413
26.700
83.742
1.00
10.05

ATOM
738
N
ALA
305
15.004
28.302
85.185
1.00
7.52

ATOM
740
CA
ALA
305
14.384
27.634
86.321
1.00
9.06

ATOM
741
CB
ALA
305
15.183
26.340
86.675
1.00
9.73

ATOM
742
C
ALA
305
14.446
28.551
87.520
1.00
7.93

ATOM
743
O
ALA
305
15.064
29.608
87.437
1.00
5.51

ATOM
744
N
VAL
306
13.812
28.133
88.606
0.75
5.06

ATOM
746
CA
VAL
306
13.843
28.850
89.869
0.75
5.16

ATOM
747
CB
VAL
306
12.577
29.752
90.092
0.75
5.18

ATOM
748
CG1
VAL
306
12.496
30.839
89.018
0.75
4.67

ATOM
749
CG2
VAL
306
11.296
28.899
90.096
0.75
8.77

ATOM
750
C
VAL
306
13.890
27.878
91.033
0.75
7.22

ATOM
751
O
VAL
306
13.539
26.688
90.902
0.75
5.43

ATOM
752
N
VAL
307
14.463
28.359
92.125
1.00
10.68

ATOM
754
CA
VAL
307
14.508
27.659
93.397
1.00
12.59

ATOM
755
CB
VAL
307
15.958
27.351
93.812
1.00
13.79

ATOM
756
CG1
VAL
307
16.007
26.697
95.200
1.00
13.71

ATOM
757
CG2
VAL
307
16.608
26.402
92.743
1.00
14.06

ATOM
758
C
VAL
307
13.868
28.676
94.353
1.00
13.65

ATOM
759
O
VAL
307
14.442
29.722
94.622
1.00
13.40

ATOM
760
N
THR
308
12.636
28.409
94.744
1.00
14.36

ATOM
762
CA
THR
308
11.868
29.320
95.583
1.00
17.04

ATOM
763
CB
THR
308
10.423
29.408
95.087
1.00
17.52

ATOM
764
OG1
THR
308
9.839
28.089
95.072
1.00
17.06

ATOM
766
CG2
THR
308
10.407
29.988
93.650
1.00
14.81

ATOM
767
C
THR
308
11.915
29.139
97.116
1.00
20.73

ATOM
768
O
THR
308
11.151
29.785
97.843
1.00
20.55

ATOM
769
N
ALA
309
12.808
28.273
97.576
1.00
23.05

ATOM
771
CA
ALA
309
13.075
28.034
98.990
1.00
26.63

ATOM
772
CB
ALA
309
13.186
26.514
99.259
1.00
27.10

ATOM
773
C
ALA
309
14.400
28.710
99.259
1.00
27.06

ATOM
774
O
ALA
309
15.294
28.651
98.421
1.00
28.53

ATOM
775
N
GLU
310
14.528
29.426
100.372
1.00
29.16

ATOM
777
CA
GLU
310
15.768
30.145
100.684
1.00
29.78

ATOM
778
CB
GLU
310
15.524
31.083
101.885
1.00
32.43

ATOM
779
CG
GLU
310
14.395
32.120
101.619
1.00
37.17

ATOM
780
CD
GLU
310
14.264
33.233
102.677
1.00
40.15

ATOM
781
OE1
GLU
310
15.052
33.274
103.659
1.00
41.14

ATOM
782
OE2
GLU
310
13.356
34.084
102.516
1.00
41.13

ATOM
783
C
GLU
310
16.979
29.220
100.920
1.00
30.28

ATOM
784
O
GLU
310
16.810
28.135
101.475
1.00
30.28

ATOM
785
N
PRO
311
18.184
29.589
100.401
1.00
27.46

ATOM
786
CD
PRO
311
19.431
28.823
100.539
1.00
27.79

ATOM
787
CA
PRO
311
18.399
30.791
99.598
1.00
26.53

ATOM
788
CB
PRO
311
19.921
30.941
99.589
1.00
28.19

ATOM
789
CG
PRO
311
20.403
29.570
99.615
1.00
28.21

ATOM
790
C
PRO
311
17.793
30.569
98.210
1.00
25.22

ATOM
791
O
PRO
311
17.759
29.443
97.689
1.00
25.62

ATOM
792
N
ILE
312
17.237
31.642
97.668
1.00
20.59

ATOM
794
CA
ILE
312
16.521
31.626
96.409
1.00
18.53

ATOM
795
CB
ILE
312
15.394
32.689
96.474
1.00
20.69

ATOM
796
CG2
ILE
312
14.560
32.665
95.198
1.00
23.02

ATOM
797
CG1
ILE
312
14.486
32.398
97.690
1.00
23.23

ATOM
798
CD1
ILE
312
13.437
33.459
97.930
1.00
25.11

ATOM
799
C
ILE
312
17.387
31.914
95.222
1.00
15.57

ATOM
800
O
ILE
312
18.319
32.702
95.295
1.00
13.64

ATOM
801
N
TYR
313
17.039
31.313
94.092
1.00
11.22

ATOM
803
CA
TYR
313
17.780
31.540
92.849
1.00
10.98

ATOM
804
CB
TYR
313
18.696
30.350
92.514
1.00
13.10

ATOM
805
CG
TYR
313
19.723
29.965
93.549
1.00
16.88

ATOM
806
CD1
TYR
313
20.558
30.910
94.130
1.00
18.93

ATOM
807
CE1
TYR
313
21.559
30.535
95.042
1.00
20.18

ATOM
808
CD2
TYR
313
19.901
28.643
93.896
1.00
19.50

ATOM
809
CE2
TYR
313
20.874
28.260
94.810
1.00
23.04

ATOM
810
CZ
TYR
313
21.700
29.198
95.382
1.00
22.50

ATOM
811
OH
TYR
313
22.615
28.780
96.334
1.00
23.90

ATOM
813
C
TYR
313
16.847
31.681
91.660
1.00
7.53

ATOM
814
O
TYR
313
15.759
31.147
91.663
1.00
7.59

ATOM
815
N
ILE
314
17.274
32.485
90.708
0.82
5.19

ATOM
817
CA
ILE
314
16.629
32.619
89.430
0.82
4.86

ATOM
818
CB
ILE
314
16.262
34.121
89.045
0.82
4.18

ATOM
819
CG2
ILE
314
15.868
34.202
87.538
0.82
4.60

ATOM
820
CG1
ILE
314
15.121
34.628
89.927
0.82
4.86

ATOM
821
CD1
ILE
314
14.733
36.090
89.720
0.82
5.03

ATOM
822
C
ILE
314
17.709
32.110
88.468
0.82
3.70

ATOM
823
O
ILE
314
18.834
32.649
88.420
0.82
4.66

ATOM
824
N
ILE
315
17.421
31.047
87.742
1.00
3.50

ATOM
826
CA
ILE
315
18.429
30.500
86.833
1.00
4.82

ATOM
827
CB
ILE
315
18.532
28.945
86.945
1.00
6.00

ATOM
828
CG2
ILE
315
19.664
28.420
86.046
1.00
2.00

ATOM
829
CG1
ILE
315
18.799
28.533
88.401
1.00
7.08

ATOM
830
CD1
ILE
315
17.513
28.158
89.123
1.00
9.51

ATOM
831
C
ILE
315
18.094
30.888
85.408
1.00
4.20

ATOM
832
O
ILE
315
16.958
30.735
84.988
1.00
3.76

ATOM
833
N
THR
316
19.069
31.406
84.672
1.00
3.78

ATOM
835
CA
THR
316
18.801
31.849
83.327
1.00
6.81

ATOM
836
CB
THR
316
18.795
33.443
83.208
1.00
10.74

ATOM
837
OG1
THR
316
20.135
33.944
83.317
1.00
8.08

ATOM
839
CG2
THR
316
17.941
34.094
84.309
1.00
7.54

ATOM
840
C
THR
316
19.836
31.360
82.341
1.00
8.02

ATOM
841
O
THR
316
20.829
30.707
82.705
1.00
7.95

ATOM
842
N
GLU
317
19.546
31.668
81.073
1.00
8.12

ATOM
844
CA
GLU
317
20.406
31.390
79.925
1.00
6.24

ATOM
845
CB
GLU
317
19.697
32.000
78.689
1.00
6.14

ATOM
846
CG
GLU
317
20.403
31.836
77.334
1.00
5.27

ATOM
847
CD
GLU
317
19.526
32.312
76.153
1.00
6.54

ATOM
848
OE1
GLU
317
18.590
33.110
76.366
1.00
8.58

ATOM
849
OE2
GLU
317
19.786
31.895
74.992
1.00
6.88

ATOM
850
C
GLU
317
21.746
32.105
80.164
1.00
6.62

ATOM
851
O
GLU
317
21.770
33.266
80.625
1.00
5.80

ATOM
852
N
TYR
318
22.845
31.425
79.833
1.00
4.84

ATOM
853
H
TYR
318
22.781
30.554
79.430
1.00
20.00

ATOM
854
CA
TYR
318
24.194
31.946
79.996
1.00
7.09

ATOM
855
CB
TYR
318
25.127
30.784
80.307
1.00
6.94

ATOM
856
CG
TYR
318
26.586
31.175
80.412
1.00
8.70

ATOM
857
CD1
TYR
318
27.507
30.641
79.536
1.00
8.78

ATOM
858
CE1
TYR
318
28.838
30.963
79.622
1.00
12.40

ATOM
859
CD2
TYR
318
27.032
32.056
81.395
1.00
9.60

ATOM
860
CE2
TYR
318
28.398
32.393
81.499
1.00
11.60

ATOM
861
CZ
TYR
318
29.282
31.831
80.592
1.00
12.34

ATOM
862
OH
TYR
318
30.605
32.172
80.614
1.00
13.65

ATOM
864
C
TYR
318
24.679
32.630
78.718
1.00
7.87

ATOM
865
O
TYR
318
24.588
32.055
77.646
1.00
7.67

ATOM
866
N
MET
319
25.230
33.826
78.851
1.00
7.03

ATOM
868
CA
MET
319
25.733
34.612
77.702
1.00
7.90

ATOM
869
CB
MET
319
24.936
35.929
77.662
1.00
7.45

ATOM
870
CG
MET
319
23.415
35.686
77.475
1.00
8.56

ATOM
871
SD
MET
319
23.081
34.959
75.864
1.00
11.41

ATOM
872
CE
MET
319
23.496
36.172
74.813
1.00
5.20

ATOM
873
C
MET
319
27.225
34.826
77.917
1.00
8.08

ATOM
874
O
MET
319
27.678
35.630
78.741
1.00
6.69

ATOM
875
N
GLU
320
27.998
34.004
77.225
1.00
7.13

ATOM
877
CA
GLU
320
29.433
33.933
77.394
1.00
10.02

ATOM
878
CB
GLU
320
29.989
32.986
76.317
1.00
15.75

ATOM
879
CG
GLU
320
31.462
32.922
76.271
1.00
23.94

ATOM
880
CD
GLU
320
31.934
31.545
76.529
1.00
29.33

ATOM
881
OE1
GLU
320
32.143
31.198
77.738
1.00
33.76

ATOM
882
OE2
GLU
320
31.959
30.741
75.562
1.00
27.05

ATOM
883
C
GLU
320
30.271
35.225
77.440
1.00
10.37

ATOM
884
O
GLU
320
31.225
35.342
78.238
1.00
8.73

ATOM
885
N
ASN
321
29.928
36.181
76.579
1.00
6.58

ATOM
887
CA
ASN
321
30.664
37.418
76.483
1.00
6.63

ATOM
888
CB
ASN
321
30.812
37.808
74.991
1.00
3.44

ATOM
889
CG
ASN
321
31.833
36.914
74.270
1.00
7.15

ATOM
890
OD1
ASN
321
32.960
36.707
74.772
1.00
4.07

ATOM
891
ND2
ASN
321
31.452
36.346
73.151
1.00
6.04

ATOM
894
C
ASN
321
30.173
38.555
77.364
1.00
6.86

ATOM
895
O
ASN
321
30.599
39.689
77.211
1.00
7.33

ATOM
896
N
GLY
322
29.238
38.237
78.269
1.00
5.72

ATOM
898
CA
GLY
322
28.783
39.238
79.235
1.00
5.81

ATOM
899
C
GLY
322
28.136
40.486
78.701
1.00
4.76

ATOM
900
O
GLY
322
27.537
40.429
77.649
1.00
4.07

ATOM
901
N
SER
323
28.234
41.597
79.422
1.00
4.07

ATOM
903
CA
SER
323
27.601
42.830
78.975
1.00
4.52

ATOM
904
CB
SER
323
27.551
43.892
80.118
1.00
5.64

ATOM
905
OG
SER
323
26.697
43.489
81.181
1.00
10.41

ATOM
907
C
SER
323
28.238
43.441
77.759
1.00
4.42

ATOM
908
O
SER
323
29.475
43.522
77.636
1.00
6.97

ATOM
909
N
LEU
324
27.387
43.900
76.853
1.00
2.28

ATOM
911
CA
LEU
324
27.840
44.535
75.644
1.00
5.27

ATOM
912
CB
LEU
324
26.642
45.033
74.833
1.00
3.48

ATOM
913
CG
LEU
324
26.955
45.780
73.529
1.00
5.04

ATOM
914
CD1
LEU
324
27.664
44.823
72.523
1.00
6.71

ATOM
915
CD2
LEU
324
25.617
46.220
72.922
1.00
8.47

ATOM
916
C
LEU
324
28.749
45.740
75.945
1.00
5.66

ATOM
917
O
LEU
324
29.777
45.913
75.288
1.00
6.05

ATOM
918
N
VAL
325
28.395
46.537
76.950
1.00
6.08

ATOM
920
CA
VAL
325
29.227
47.692
77.284
1.00
6.56

ATOM
921
CB
VAL
325
28.601
48.567
78.411
1.00
6.30

ATOM
922
CG1
VAL
325
28.897
47.976
79.791
1.00
6.07

ATOM
923
CG2
VAL
325
29.125
49.976
78.262
1.00
6.51

ATOM
924
C
VAL
325
30.668
47.301
77.634
1.00
8.74

ATOM
925
O
VAL
325
31.578
48.063
77.344
1.00
8.55

ATOM
926
N
ASP
326
30.850
46.118
78.250
1.00
8.86

ATOM
928
CA
ASP
326
32.183
45.599
78.576
1.00
9.40

ATOM
929
CB
ASP
326
32.137
44.627
79.786
1.00
10.79

ATOM
930
CG
ASP
326
31.682
45.309
81.073
1.00
15.23

ATOM
931
OD1
ASP
326
31.907
46.527
81.226
1.00
17.45

ATOM
932
OD2
ASP
326
31.114
44.620
81.945
1.00
15.65

ATOM
933
C
ASP
326
32.814
44.878
77.374
1.00
8.47

ATOM
934
O
ASP
326
34.010
45.097
77.041
1.00
8.70

ATOM
935
N
PHE
327
32.041
44.008
76.712
1.00
6.30

ATOM
937
CA
PHE
327
32.533
43.275
75.550
1.00
5.97

ATOM
938
CB
PHE
327
31.417
42.452
74.872
1.00
6.18

ATOM
939
CG
PHE
327
31.863
41.778
73.574
1.00
5.53

ATOM
940
CD1
PHE
327
32.755
40.715
73.600
1.00
5.80

ATOM
941
CD2
PHE
327
31.399
42.238
72.335
1.00
7.58

ATOM
942
CE1
PHE
327
33.197
40.104
72.401
1.00
3.63

ATOM
943
CE2
PHE
327
31.816
41.666
71.151
1.00
6.07

ATOM
944
CZ
PHE
327
32.733
40.585
71.193
1.00
6.92

ATOM
945
C
PHE
327
33.179
44.164
74.441
1.00
6.02

ATOM
946
O
PHE
327
34.170
43.765
73.827
1.00
4.71

ATOM
947
N
LEU
328
32.577
45.326
74.176
0.40
2.63

ATOM
949
CA
LEU
328
33.076
46.237
73.130
0.40
2.00

ATOM
950
CB
LEU
328
32.067
47.361
72.882
0.40
2.00

ATOM
951
CG
LEU
328
30.693
46.917
72.327
0.40
2.00

ATOM
952
CD1
LEU
328
29.763
48.096
72.210
0.40
2.00

ATOM
953
CD2
LEU
328
30.847
46.243
70.979
0.40
2.00

ATOM
954
C
LEU
328
34.476
46.819
73.373
0.40
3.02

ATOM
955
O
LEU
328
35.072
47.402
72.496
0.40
2.00

ATOM
956
N
LYS
329
34.916
46.745
74.625
1.00
6.19

ATOM
958
CA
LYS
329
36.245
47.196
75.057
1.00
8.81

ATOM
959
CB
LYS
329
36.190
47.773
76.477
1.00
9.48

ATOM
960
CG
LYS
329
35.251
48.970
76.589
1.00
10.04

ATOM
961
CD
LYS
329
35.080
49.401
78.016
1.00
9.54

ATOM
962
CE
LYS
329
33.808
50.288
78.100
1.00
11.11

ATOM
963
NZ
LYS
329
33.664
50.767
79.489
1.00
13.64

ATOM
967
C
LYS
329
37.304
46.104
75.026
1.00
7.62

ATOM
968
O
LYS
329
38.486
46.372
75.245
1.00
6.19

ATOM
969
N
THR
330
36.882
44.853
74.859
1.00
7.54

ATOM
971
CA
THR
330
37.876
43.765
74.792
1.00
8.64

ATOM
972
CB
THR
330
37.204
42.387
75.026
1.00
6.18

ATOM
973
OG1
THR
330
36.302
42.117
73.957
1.00
8.72

ATOM
975
CG2
THR
330
36.437
42.396
76.362
1.00
9.44

ATOM
976
C
THR
330
38.543
43.742
73.440
1.00
8.40

ATOM
977
O
THR
330
38.049
44.349
72.499
1.00
9.09

ATOM
978
N
PRO
331
39.628
42.958
73.281
1.00
10.04

ATOM
979
CD
PRO
331
40.423
42.266
74.324
1.00
8.53

ATOM
980
CA
PRO
331
40.318
42.890
71.989
1.00
10.41

ATOM
981
CB
PRO
331
41.418
41.849
72.247
1.00
8.90

ATOM
982
CG
PRO
331
41.784
42.165
73.621
1.00
10.95

ATOM
983
C
PRO
331
39.375
42.460
70.878
1.00
10.90

ATOM
984
O
PRO
331
39.397
43.019
69.779
1.00
11.98

ATOM
985
N
SER
332
38.515
41.491
71.162
1.00
9.20

ATOM
987
CA
SER
332
37.549
41.082
70.145
1.00
12.25

ATOM
988
CB
SER
332
36.719
39.902
70.646
1.00
10.86

ATOM
989
OG
SER
332
37.530
38.761
70.767
1.00
18.10

ATOM
991
C
SER
332
36.570
42.207
69.803
1.00
11.43

ATOM
992
O
SER
332
36.299
42.481
68.646
1.00
12.17

ATOM
993
N
GLY
333
36.022
42.826
70.837
1.00
9.65

ATOM
995
CA
GLY
333
35.047
43.887
70.619
1.00
11.87

ATOM
996
C
GLY
333
35.583
45.068
69.838
1.00
10.52

ATOM
997
O
GLY
333
34.919
45.600
68.942
1.00
9.33

ATOM
998
N
ILE
334
36.809
45.476
70.175
1.00
11.53

ATOM
1000
CA
ILE
334
37.456
46.609
69.508
1.00
12.33

ATOM
1001
CB
ILE
334
38.857
46.896
70.146
1.00
15.13

ATOM
1002
CG2
ILE
334
39.623
47.990
69.348
1.00
16.44

ATOM
1003
CG1
ILE
334
38.689
47.316
71.603
1.00
13.62

ATOM
1004
CD1
ILE
334
40.003
47.491
72.392
1.00
16.24

ATOM
1005
C
ILE
334
37.581
46.407
68.010
1.00
13.92

ATOM
1006
O
ILE
334
37.397
47.319
67.228
1.00
17.25

ATOM
1007
N
LYS
335
37.860
45.181
67.609
1.00
14.22

ATOM
1009
CA
LYS
335
38.026
44.850
66.211
1.00
15.61

ATOM
1010
CB
LYS
335
38.742
43.501
66.098
1.00
18.74

ATOM
1011
CG
LYS
335
40.159
43.493
66.675
1.00
22.01

ATOM
1012
CD
LYS
335
40.737
42.086
66.747
1.00
27.64

ATOM
1013
CE
LYS
335
42.031
42.044
67.603
1.00
29.38

ATOM
1014
NZ
LYS
335
42.383
40.621
68.013
1.00
31.04

ATOM
1018
C
LYS
335
36.747
44.814
65.372
1.00
16.01

ATOM
1019
O
LYS
335
36.824
44.709
64.139
1.00
15.29

ATOM
1020
N
LEU
336
35.575
44.884
66.004
1.00
12.73

ATOM
1022
CA
LEU
336
34.317
44.804
65.218
1.00
11.81

ATOM
1023
CB
LEU
336
33.094
44.732
66.148
1.00
12.02

ATOM
1024
CG
LEU
336
33.012
43.570
67.175
1.00
13.35

ATOM
1025
CD1
LEU
336
31.657
43.583
67.836
1.00
12.43

ATOM
1026
CD2
LEU
336
33.251
42.218
66.515
1.00
14.13

ATOM
1027
C
LEU
336
34.117
45.968
64.252
1.00
10.72

ATOM
1028
O
LEU
336
34.325
47.107
64.598
1.00
13.53

ATOM
1029
N
THR
337
33.666
45.643
63.045
1.00
11.51

ATOM
1031
CA
THR
337
33.381
46.634
62.007
1.00
12.15

ATOM
1032
CB
THR
337
33.218
45.947
60.615
1.00
12.79

ATOM
1033
OG1
THR
337
32.154
44.956
60.676
1.00
12.22

ATOM
1035
CG2
THR
337
34.519
45.285
60.216
1.00
16.26

ATOM
1036
C
THR
337
32.057
47.342
62.297
1.00
10.27

ATOM
1037
O
THR
337
31.229
46.817
63.091
1.00
5.25

ATOM
1038
N
ILE
338
31.862
48.504
61.690
1.00
8.59

ATOM
1040
CA
ILE
338
30.615
49.200
61.846
1.00
7.74

ATOM
1041
CB
ILE
338
30.579
50.505
61.001
1.00
10.71

ATOM
1042
CG2
ILE
338
30.765
50.197
59.517
1.00
11.93

ATOM
1043
CG1
ILE
338
29.278
51.266
61.284
1.00
8.47

ATOM
1044
CD1
ILE
338
29.254
51.745
62.769
1.00
12.52

ATOM
1045
C
ILE
338
29.467
48.298
61.413
1.00
6.40

ATOM
1046
O
ILE
338
28.363
48.402
61.924
1.00
5.38

ATOM
1047
N
ASN
339
29.695
47.468
60.386
1.00
7.04

ATOM
1049
CA
ASN
339
28.669
46.535
59.910
1.00
9.44

ATOM
1050
CB
ASN
339
29.214
45.704
58.744
1.00
12.90

ATOM
1051
CG
ASN
339
28.238
44.649
58.244
1.00
19.02

ATOM
1052
OD1
ASN
339
28.450
43.440
58.443
1.00
21.28

ATOM
1053
ND2
ASN
339
27.197
45.086
57.522
1.00
19.72

ATOM
1056
C
ASN
339
28.192
45.606
61.018
1.00
6.95

ATOM
1057
O
ASN
339
27.000
45.406
61.199
1.00
6.04

ATOM
1058
N
LYS
340
29.139
45.038
61.772
1.00
6.39

ATOM
1060
CA
LYS
340
28.769
44.129
62.873
1.00
6.76

ATOM
1061
CB
LYS
340
29.985
43.333
63.361
1.00
7.37

ATOM
1062
CG
LYS
340
29.723
42.361
64.575
1.00
7.98

ATOM
1063
CD
LYS
340
28.663
41.312
64.238
1.00
9.32

ATOM
1064
CE
LYS
340
28.325
40.403
65.435
1.00
7.68

ATOM
1065
NZ
LYS
340
27.121
39.561
65.006
1.00
11.81

ATOM
1069
C
LYS
340
28.090
44.877
64.015
1.00
6.46

ATOM
1070
O
LYS
340
27.180
44.361
64.669
1.00
7.41

ATOM
1071
N
LEU
341
28.524
46.122
64.273
1.00
4.91

ATOM
1073
CA
LEU
341
27.892
46.926
65.316
1.00
4.71

ATOM
1074
CB
LEU
341
28.662
48.275
65.487
1.00
6.87

ATOM
1075
CG
LEU
341
30.145
48.170
65.917
1.00
5.50

ATOM
1076
CD1
LEU
341
30.792
49.563
66.144
1.00
7.84

ATOM
1077
CD2
LEU
341
30.228
47.397
67.217
1.00
4.44

ATOM
1078
C
LEU
341
26.426
47.218
64.906
1.00
6.72

ATOM
1079
O
LEU
341
25.554
47.223
65.734
1.00
6.30

ATOM
1080
N
LEU
342
26.199
47.479
63.610
1.00
6.60

ATOM
1082
CA
LEU
342
24.852
47.780
63.101
1.00
8.16

ATOM
1083
CB
LEU
342
24.924
48.248
61.648
1.00
8.76

ATOM
1084
CG
LEU
342
24.817
49.735
61.222
1.00
16.74

ATOM
1085
CD1
LEU
342
24.670
50.708
62.352
1.00
13.92

ATOM
1086
CD2
LEU
342
25.895
50.108
60.186
1.00
11.93

ATOM
1087
C
LEU
342
23.973
46.546
63.229
1.00
6.33

ATOM
1088
O
LEU
342
22.806
46.636
63.598
1.00
4.73

ATOM
1089
N
ASP
343
24.571
45.408
62.903
1.00
7.09

ATOM
1091
CA
ASP
343
23.914
44.099
63.063
1.00
7.37

ATOM
1092
CB
ASP
343
24.909
42.987
62.660
1.00
6.99

ATOM
1093
CG
ASP
343
24.466
41.581
63.110
1.00
7.27

ATOM
1094
OD1
ASP
343
23.262
41.350
63.309
1.00
4.56

ATOM
1095
OD2
ASP
343
25.337
40.719
63.252
1.00
6.70

ATOM
1096
C
ASP
343
23.501
43.949
64.529
1.00
7.54

ATOM
1097
O
ASP
343
22.342
43.697
64.838
1.00
7.54

ATOM
1098
N
MET
344
24.436
44.153
65.457
1.00
6.41

ATOM
1100
CA
MET
344
24.081
44.047
66.885
1.00
9.49

ATOM
1101
CB
MET
344
25.316
44.208
67.804
1.00
8.91

ATOM
1102
CG
MET
344
26.413
43.141
67.567
1.00
12.32

ATOM
1103
SD
MET
344
27.888
43.520
68.539
1.00
16.89

ATOM
1104
CE
MET
344
28.005
42.104
69.644
1.00
18.02

ATOM
1105
C
MET
344
22.962
45.016
67.328
1.00
7.42

ATOM
1106
O
MET
344
22.060
44.644
68.090
1.00
7.37

ATOM
1107
N
ALA
345
23.005
46.250
66.812
1.00
5.31

ATOM
1109
CA
ALA
345
21.943
47.219
67.162
1.00
2.94

ATOM
1110
CB
ALA
345
22.257
48.613
66.496
1.00
2.00

ATOM
1111
C
ALA
345
20.581
46.698
66.674
1.00
2.66

ATOM
1112
O
ALA
345
19.568
46.823
67.371
1.00
3.94

ATOM
1113
N
ALA
346
20.563
46.121
65.465
1.00
3.10

ATOM
1115
CA
ALA
346
19.353
45.540
64.894
1.00
5.34

ATOM
1116
CB
ALA
346
19.548
45.098
63.372
1.00
3.35

ATOM
1117
C
ALA
346
18.825
44.378
65.729
1.00
5.71

ATOM
1118
O
ALA
346
17.620
44.299
65.955
1.00
4.47

ATOM
1119
N
GLN
347
19.720
43.528
66.231
1.00
2.71

ATOM
1121
CA
GLN
347
19.307
42.428
67.141
1.00
4.60

ATOM
1122
CB
GLN
347
20.537
41.592
67.562
1.00
2.74

ATOM
1123
CG
GLN
347
21.216
40.940
66.362
1.00
5.37

ATOM
1124
CD
GLN
347
22.320
39.965
66.751
1.00
7.37

ATOM
1125
OE1
GLN
347
22.353
39.486
67.855
1.00
8.75

ATOM
1126
NE2
GLN
347
23.175
39.635
65.804
1.00
5.62

ATOM
1129
C
GLN
347
18.611
42.971
68.414
1.00
4.10

ATOM
1130
O
GLN
347
17.575
42.455
68.863
1.00
5.67

ATOM
1131
N
ILE
348
19.153
44.050
68.940
1.00
2.95

ATOM
1133
CA
ILE
348
18.628
44.666
70.150
1.00
4.54

ATOM
1134
CB
ILE
348
19.624
45.759
70.691
1.00
4.65

ATOM
1135
CG2
ILE
348
19.039
46.538
71.882
1.00
3.08

ATOM
1136
CG1
ILE
348
20.921
45.080
71.163
1.00
3.26

ATOM
1137
CD1
ILE
348
22.039
46.103
71.381
1.00
5.43

ATOM
1138
C
ILE
348
17.268
45.264
69.885
1.00
5.36

ATOM
1139
O
ILE
348
16.338
45.032
70.674
1.00
4.39

ATOM
1140
N
ALA
349
17.137
45.971
68.750
1.00
4.26

ATOM
1142
CA
ALA
349
15.829
46.544
68.363
1.00
5.91

ATOM
1143
CB
ALA
349
15.966
47.377
67.099
1.00
3.48

ATOM
1144
C
ALA
349
14.794
45.409
68.122
1.00
5.32

ATOM
1145
O
ALA
349
13.601
45.564
68.351
1.00
4.56

ATOM
1146
N
GLU
350
15.282
44.267
67.641
1.00
5.83

ATOM
1148
CA
GLU
350
14.389
43.127
67.360
1.00
6.21

ATOM
1149
CB
GLU
350
15.156
42.033
66.591
1.00
8.90

ATOM
1150
CG
GLU
350
14.330
40.790
66.305
1.00
9.23

ATOM
1151
CD
GLU
350
15.141
39.730
65.550
1.00
12.88

ATOM
1152
OE1
GLU
350
16.194
40.044
64.946
1.00
12.40

ATOM
1153
OE2
GLU
350
14.724
38.558
65.564
1.00
13.17

ATOM
1154
C
GLU
350
13.807
42.575
68.648
1.00
3.70

ATOM
1155
O
GLU
350
12.576
42.238
68.754
1.00
3.99

ATOM
1156
N
GLY
351
14.664
42.494
69.666
1.00
3.72

ATOM
1158
CA
GLY
351
14.177
42.064
70.985
1.00
2.74

ATOM
1159
C
GLY
351
13.231
43.110
71.585
1.00
3.98

ATOM
1160
O
GLY
351
12.206
42.742
72.204
1.00
2.73

ATOM
1161
N
MET
352
13.563
44.402
71.478
1.00
3.10

ATOM
1163
CA
MET
352
12.672
45.431
72.017
1.00
3.20

ATOM
1164
CB
MET
352
13.346
46.839
71.992
1.00
4.15

ATOM
1165
CG
MET
352
14.463
46.987
73.003
1.00
2.46

ATOM
1166
SD
MET
352
13.963
46.634
74.672
1.00
8.88

ATOM
1167
CE
MET
352
12.466
47.792
74.796
1.00
7.85

ATOM
1168
C
MET
352
11.317
45.481
71.244
1.00
4.14

ATOM
1169
O
MET
352
10.298
45.901
71.790
1.00
4.32

ATOM
1170
N
ALA
353
11.345
45.131
69.947
1.00
4.31

ATOM
1172
CA
ALA
353
10.114
45.102
69.161
1.00
4.60

ATOM
1173
CB
ALA
353
10.433
44.852
67.643
1.00
4.58

ATOM
1174
C
ALA
353
9.184
44.019
69.694
1.00
5.84

ATOM
1175
O
ALA
353
7.950
44.175
69.740
1.00
4.41

ATOM
1176
N
PHE
354
9.773
42.911
70.170
1.00
6.70

ATOM
1178
CA
PHE
354
8.962
41.835
70.790
1.00
6.33

ATOM
1179
CB
PHE
354
9.811
40.577
71.057
1.00
6.88

ATOM
1180
CG
PHE
354
9.080
39.481
71.829
1.00
9.26

ATOM
1181
CD1
PHE
354
8.023
38.781
71.242
1.00
9.54

ATOM
1182
CD2
PHE
354
9.429
39.186
73.138
1.00
8.40

ATOM
1183
CE1
PHE
354
7.346
37.781
71.957
1.00
11.15

ATOM
1184
CE2
PHE
354
8.752
38.184
73.867
1.00
11.06

ATOM
1185
CZ
PHE
354
7.698
37.492
73.270
1.00
8.67

ATOM
1186
C
PHE
354
8.360
42.313
72.089
1.00
5.01

ATOM
1187
O
PHE
354
7.162
42.111
72.360
1.00
5.21

ATOM
1188
N
ILE
355
9.186
42.981
72.909
1.00
4.92

ATOM
1190
CA
ILE
355
8.725
43.546
74.191
1.00
3.39

ATOM
1191
CB
ILE
355
9.910
44.209
74.960
1.00
4.12

ATOM
1192
CG2
ILE
355
9.446
45.113
76.167
1.00
3.25

ATOM
1193
CG1
ILE
355
10.833
43.105
75.480
1.00
3.89

ATOM
1194
CD1
ILE
355
12.153
43.638
76.042
1.00
6.62

ATOM
1195
C
ILE
355
7.597
44.548
73.950
1.00
4.30

ATOM
1196
O
ILE
355
6.566
44.533
74.627
1.00
2.05

ATOM
1197
N
GLU
356
7.783
45.361
72.917
1.00
5.49

ATOM
1199
CA
GLU
356
6.808
46.345
72.527
1.00
7.59

ATOM
1200
CB
GLU
356
7.382
47.158
71.359
1.00
8.33

ATOM
1201
CG
GLU
356
6.463
48.069
70.575
1.00
11.40

ATOM
1202
CD
GLU
356
7.238
48.763
69.411
1.00
13.48

ATOM
1203
OE1
GLU
356
7.350
48.218
68.250
1.00
15.78

ATOM
1204
OE2
GLU
356
7.756
49.864
69.664
1.00
14.27

ATOM
1205
C
GLU
356
5.475
45.692
72.132
1.00
8.84

ATOM
1206
O
GLU
356
4.424
46.054
72.629
1.00
7.97

ATOM
1207
N
GLU
357
5.517
44.734
71.225
1.00
10.18

ATOM
1209
CA
GLU
357
4.263
44.097
70.820
1.00
11.61

ATOM
1210
CB
GLU
357
4.408
43.355
69.495
1.00
16.07

ATOM
1211
CG
GLU
357
4.880
41.974
69.512
1.00
24.33

ATOM
1212
CD
GLU
357
3.799
40.973
69.812
1.00
28.19

ATOM
1213
OE1
GLU
357
4.125
40.049
70.565
1.00
31.78

ATOM
1214
OE2
GLU
357
2.649
41.078
69.322
1.00
30.15

ATOM
1215
C
GLU
357
3.501
43.309
71.911
1.00
10.18

ATOM
1216
O
GLU
357
2.289
43.180
71.842
1.00
9.51

ATOM
1217
N
ARG
358
4.205
42.869
72.956
1.00
6.49

ATOM
1219
CA
ARG
358
3.574
42.182
74.061
1.00
7.45

ATOM
1220
CB
ARG
358
4.592
41.215
74.730
1.00
8.83

ATOM
1221
CG
ARG
358
5.135
40.069
73.849
1.00
7.95

ATOM
1222
CD
ARG
358
3.999
39.232
73.218
1.00
12.64

ATOM
1223
NE
ARG
358
2.929
38.875
74.159
1.00
16.71

ATOM
1225
CZ
ARG
358
1.665
38.636
73.797
1.00
17.48

ATOM
1226
NH1
ARG
358
1.296
38.710
72.515
1.00
16.26

ATOM
1229
NH2
ARG
358
0.740
38.415
74.720
1.00
18.05

ATOM
1232
C
ARG
358
3.040
43.157
75.124
1.00
7.52

ATOM
1233
O
ARG
358
2.591
42.738
76.211
1.00
7.17

ATOM
1234
N
ASN
359
3.161
44.465
74.860
1.00
6.81

ATOM
1236
CA
ASN
359
2.694
45.491
75.800
1.00
8.64

ATOM
1237
CB
ASN
359
1.188
45.327
76.159
1.00
9.29

ATOM
1238
CG
ASN
359
0.300
45.844
75.061
1.00
10.37

ATOM
1239
OD1
ASN
359
0.795
46.342
74.072
1.00
12.00

ATOM
1240
ND2
ASN
359
−1.018
45.678
75.204
1.00
12.20

ATOM
1243
C
ASN
359
3.511
45.652
77.050
1.00
8.02

ATOM
1244
O
ASN
359
2.995
46.046
78.108
1.00
9.17

ATOM
1245
N
TYR
360
4.801
45.314
76.963
1.00
5.75

ATOM
1247
CA
TYR
360
5.669
45.520
78.112
1.00
5.81

ATOM
1248
CB
TYR
360
6.541
44.275
78.342
1.00
6.39

ATOM
1249
CG
TYR
360
5.816
43.136
79.021
1.00
7.87

ATOM
1250
CD1
TYR
360
5.033
42.243
78.288
1.00
9.17

ATOM
1251
CE1
TYR
360
4.359
41.181
78.927
1.00
11.35

ATOM
1252
CD2
TYR
360
5.909
42.967
80.389
1.00
9.95

ATOM
1253
CE2
TYR
360
5.231
41.931
81.035
1.00
11.89

ATOM
1254
CZ
TYR
360
4.464
41.063
80.309
1.00
11.40

ATOM
1255
OH
TYR
360
3.752
40.116
81.010
1.00
13.19

ATOM
1257
C
TYR
360
6.621
46.687
77.853
1.00
5.77

ATOM
1258
O
TYR
360
6.719
47.189
76.730
1.00
5.39

ATOM
1259
N
ILE
361
7.307
47.122
78.909
1.00
6.08

ATOM
1261
CA
ILE
361
8.351
48.130
78.812
1.00
6.60

ATOM
1262
CB
ILE
361
7.949
49.538
79.349
1.00
7.46

ATOM
1263
CG2
ILE
361
6.981
50.231
78.354
1.00
7.70

ATOM
1264
CG1
ILE
361
7.350
49.430
80.744
1.00
7.66

ATOM
1265
CD1
ILE
361
7.111
50.762
81.390
1.00
7.95

ATOM
1266
C
ILE
361
9.496
47.570
79.658
1.00
7.68

ATOM
1267
O
ILE
361
9.236
46.794
80.605
1.00
6.94

ATOM
1268
N
HIS
362
10.722
47.990
79.382
1.00
5.85

ATOM
1270
CA
HIS
362
11.865
47.457
80.114
1.00
6.16

ATOM
1271
CB
HIS
362
12.944
47.124
79.071
1.00
5.50

ATOM
1272
CG
HIS
362
14.150
46.453
79.609
1.00
7.36

ATOM
1273
CD2
HIS
362
14.599
45.170
79.503
1.00
6.35

ATOM
1274
ND1
HIS
362
15.119
47.120
80.343
1.00
7.52

ATOM
1276
CE1
HIS
362
16.091
46.293
80.658
1.00
7.49

ATOM
1277
NE2
HIS
362
15.807
45.106
80.156
1.00
6.81

ATOM
1279
C
HIS
362
12.371
48.418
81.211
1.00
4.64

ATOM
1280
O
HIS
362
12.588
48.033
82.369
1.00
5.59

ATOM
1281
N
ARG
363
12.491
49.679
80.831
1.00
7.45

ATOM
1283
CA
ARG
363
12.913
50.783
81.704
1.00
8.43

ATOM
1284
CB
ARG
363
12.035
50.835
82.970
1.00
7.51

ATOM
1285
CG
ARG
363
10.576
51.119
82.644
1.00
10.25

ATOM
1286
CD
ARG
363
9.897
51.683
83.914
1.00
10.59

ATOM
1287
NE
ARG
363
9.912
50.722
84.981
1.00
11.72

ATOM
1289
CZ
ARG
363
9.861
51.032
86.279
1.00
14.15

ATOM
1290
NH1
ARG
363
9.808
52.301
86.646
1.00
13.54

ATOM
1293
NH2
ARG
363
9.797
50.061
87.195
1.00
12.03

ATOM
1296
C
ARG
363
14.372
50.882
82.117
1.00
7.44

ATOM
1297
O
ARG
363
14.723
51.804
82.809
1.00
7.42

ATOM
1298
N
ASP
364
15.221
50.000
81.634
1.00
8.20

ATOM
1300
CA
ASP
364
16.643
50.022
82.025
1.00
7.94

ATOM
1301
CB
ASP
364
16.832
49.052
83.198
1.00
7.03

ATOM
1302
CG
ASP
364
18.059
49.370
84.068
1.00
11.50

ATOM
1303
OD1
ASP
364
18.799
50.329
83.807
1.00
11.51

ATOM
1304
OD2
ASP
364
18.264
48.627
85.043
1.00
12.82

ATOM
1305
C
ASP
364
17.473
49.590
80.842
1.00
6.20

ATOM
1306
O
ASP
364
18.410
48.799
80.968
1.00
5.54

ATOM
1307
N
LEU
365
17.034
50.044
79.663
1.00
5.04

ATOM
1309
CA
LEU
365
17.656
49.725
78.389
1.00
4.56

ATOM
1310
CB
LEU
365
16.672
50.008
77.222
1.00
3.62

ATOM
1311
CG
LEU
365
17.135
49.719
75.771
1.00
4.02

ATOM
1312
CD1
LEU
365
17.593
48.293
75.631
1.00
4.75

ATOM
1313
CD2
LEU
365
16.034
50.008
74.773
1.00
5.53

ATOM
1314
C
LEU
365
18.945
50.539
78.213
1.00
7.89

ATOM
1315
O
LEU
365
18.897
51.775
78.082
1.00
8.70

ATOM
1316
N
ARG
366
20.072
49.847
78.307
1.00
6.02

ATOM
1318
CA
ARG
366
21.398
50.414
78.170
1.00
7.65

ATOM
1319
CB
ARG
366
21.837
51.023
79.508
1.00
9.30

ATOM
1320
CG
ARG
366
21.673
50.061
80.689
1.00
12.26

ATOM
1321
CD
ARG
366
21.894
50.794
82.011
1.00
16.24

ATOM
1322
NE
ARG
366
23.214
51.410
82.088
1.00
19.64

ATOM
1324
CZ
ARG
366
23.503
52.394
82.930
1.00
23.12

ATOM
1325
NH1
ARG
366
22.556
52.850
83.748
1.00
24.99

ATOM
1328
NH2
ARG
366
24.715
52.926
82.955
1.00
22.43

ATOM
1331
C
ARG
366
22.324
49.265
77.787
1.00
7.09

ATOM
1332
O
ARG
366
21.982
48.103
78.058
1.00
6.44

ATOM
1333
N
ALA
367
23.516
49.586
77.286
1.00
6.74

ATOM
1335
CA
ALA
367
24.460
48.562
76.868
1.00
5.67

ATOM
1336
CB
ALA
367
25.733
49.199
76.238
1.00
3.81

ATOM
1337
C
ALA
367
24.852
47.653
78.034
1.00
6.22

ATOM
1338
O
ALA
367
25.191
46.502
77.806
1.00
8.48

ATOM
1339
N
ALA
368
24.815
48.157
79.278
1.00
4.60

ATOM
1341
CA
ALA
368
25.163
47.268
80.399
1.00
5.77

ATOM
1342
CB
ALA
368
25.235
48.038
81.749
1.00
7.66

ATOM
1343
C
ALA
368
24.161
46.098
80.500
1.00
5.40

ATOM
1344
O
ALA
368
24.511
44.968
80.918
1.00
6.12

ATOM
1345
N
ASN
369
22.935
46.343
80.058
1.00
5.01

ATOM
1347
CA
ASN
369
21.888
45.330
80.097
1.00
5.36

ATOM
1348
CB
ASN
369
20.623
45.916
80.696
1.00
4.47

ATOM
1349
CG
ASN
369
20.795
46.215
82.153
1.00
6.74

ATOM
1350
OD1
ASN
369
21.544
45.516
82.817
1.00
5.37

ATOM
1351
ND2
ASN
369
20.176
47.284
82.642
1.00
4.83

ATOM
1354
C
ASN
369
21.616
44.538
78.810
1.00
6.12

ATOM
1355
O
ASN
369
20.531
43.978
78.607
1.00
7.80

ATOM
1356
N
ILE
370
22.594
44.558
77.910
1.00
5.52

ATOM
1358
CA
ILE
370
22.513
43.778
76.702
1.00
4.05

ATOM
1359
CB
ILE
370
22.806
44.620
75.434
1.00
5.37

ATOM
1360
CG2
ILE
370
22.870
43.667
74.213
1.00
2.00

ATOM
1361
CG1
ILE
370
21.740
45.735
75.298
1.00
2.00

ATOM
1362
CD1
ILE
370
20.271
45.186
75.440
1.00
2.00

ATOM
1363
C
ILE
370
23.630
42.766
76.896
1.00
5.96

ATOM
1364
O
ILE
370
24.759
43.164
77.265
1.00
5.26

ATOM
1365
N
LEU
371
23.310
41.491
76.754
1.00
6.77

ATOM
1366
H
LEU
371
22.404
41.249
76.524
1.00
20.00

ATOM
1367
CA
LEU
371
24.310
40.410
76.951
1.00
5.25

ATOM
1368
CB
LEU
371
23.697
39.300
77.849
1.00
5.80

ATOM
1369
CG
LEU
371
24.000
39.250
79.342
1.00
8.15

ATOM
1370
CD1
LEU
371
24.465
40.553
79.905
1.00
8.54

ATOM
1371
CD2
LEU
371
22.953
38.500
80.228
1.00
5.22

ATOM
1372
C
LEU
371
24.729
39.871
75.607
1.00
6.17

ATOM
1373
O
LEU
371
23.922
39.893
74.657
1.00
6.29

ATOM
1374
N
VAL
372
25.999
39.457
75.505
1.00
4.90

ATOM
1376
CA
VAL
372
26.568
38.935
74.275
1.00
6.66

ATOM
1377
CB
VAL
372
27.838
39.743
73.853
1.00
5.80

ATOM
1378
CG1
VAL
372
28.259
39.341
72.425
1.00
5.19

ATOM
1379
CG2
VAL
372
27.569
41.288
73.960
1.00
7.50

ATOM
1380
C
VAL
372
26.907
37.437
74.351
1.00
4.98

ATOM
1381
O
VAL
372
27.554
36.988
75.265
1.00
5.78

ATOM
1382
N
SER
373
26.434
36.672
73.372
1.00
7.12

ATOM
1384
CA
SER
373
26.662
35.231
73.320
1.00
7.38

ATOM
1385
CB
SER
373
25.583
34.524
72.455
1.00
7.48

ATOM
1386
OG
SER
373
25.791
34.804
71.073
1.00
5.48

ATOM
1388
C
SER
373
28.019
34.899
72.757
1.00
9.13

ATOM
1389
O
SER
373
28.723
35.753
72.197
1.00
8.18

ATOM
1390
N
ASP
374
28.359
33.619
72.805
1.00
8.64

ATOM
1392
CA
ASP
374
29.626
33.194
72.265
1.00
9.08

ATOM
1393
CB
ASP
374
29.854
31.727
72.644
1.00
9.32

ATOM
1394
CG
ASP
374
28.900
30.809
71.944
1.00
11.97

ATOM
1395
OD1
ASP
374
27.709
31.136
71.917
1.00
14.88

ATOM
1396
OD2
ASP
374
29.333
29.804
71.339
1.00
15.30

ATOM
1397
C
ASP
374
29.678
33.397
70.740
1.00
9.93

ATOM
1398
O
ASP
374
30.752
33.485
70.159
1.00
10.12

ATOM
1399
N
THR
375
28.519
33.487
70.070
1.00
7.98

ATOM
1401
CA
THR
375
28.509
33.720
68.613
1.00
8.27

ATOM
1402
CB
THR
375
27.415
32.873
67.900
1.00
8.75

ATOM
1403
OG1
THR
375
26.127
33.281
68.402
1.00
10.07

ATOM
1405
CG2
THR
375
27.566
31.382
68.169
1.00
7.62

ATOM
1406
C
THR
375
28.289
35.213
68.258
1.00
8.45

ATOM
1407
O
THR
375
27.968
35.566
67.137
1.00
8.09

ATOM
1408
N
LEU
376
28.468
36.088
69.248
1.00
8.22

ATOM
1410
CA
LEU
376
28.307
37.521
69.080
1.00
9.33

ATOM
1411
CB
LEU
376
29.290
38.110
68.046
1.00
8.40

ATOM
1412
CG
LEU
376
30.755
37.717
68.339
1.00
12.51

ATOM
1413
CD1
LEU
376
31.719
38.480
67.387
1.00
14.37

ATOM
1414
CD2
LEU
376
31.094
37.986
69.824
1.00
14.45

ATOM
1415
C
LEU
376
26.877
37.947
68.736
1.00
9.24

ATOM
1416
O
LEU
376
26.691
38.800
67.869
1.00
8.58

ATOM
1417
N
SER
377
25.898
37.206
69.255
1.00
6.91

ATOM
1419
CA
SER
377
24.507
37.607
69.085
1.00
6.35

ATOM
1420
CB
SER
377
23.568
36.419
68.736
1.00
3.06

ATOM
1421
OG
SER
377
23.581
35.453
69.779
1.00
7.61

ATOM
1423
C
SER
377
24.169
38.271
70.405
1.00
5.91

ATOM
1424
O
SER
377
24.836
37.965
71.457
1.00
5.71

ATOM
1425
N
CYS
378
23.247
39.227
70.371
1.00
4.65

ATOM
1427
CA
CYS
378
22.863
39.987
71.539
1.00
5.21

ATOM
1428
CB
CYS
378
22.851
41.492
71.171
1.00
6.09

ATOM
1429
SG
CYS
378
24.490
42.098
70.729
1.00
13.86

ATOM
1430
C
CYS
378
21.476
39.652
72.034
1.00
5.68

ATOM
1431
O
CYS
378
20.571
39.390
71.237
1.00
3.41

ATOM
1432
N
LYS
379
21.299
39.790
73.344
1.00
5.79

ATOM
1434
CA
LYS
379
20.028
39.568
73.979
1.00
6.15

ATOM
1435
CB
LYS
379
19.968
38.126
74.557
1.00
5.70

ATOM
1436
CG
LYS
379
20.024
37.069
73.428
1.00
5.57

ATOM
1437
CD
LYS
379
19.695
35.653
73.895
1.00
7.05

ATOM
1438
CE
LYS
379
19.965
34.712
72.713
1.00
8.56

ATOM
1439
NZ
LYS
379
19.168
33.450
72.774
1.00
5.14

ATOM
1443
C
LYS
379
19.774
40.570
75.101
1.00
6.59

ATOM
1444
O
LYS
379
20.688
41.019
75.798
1.00
6.88

ATOM
1445
N
ILE
380
18.503
40.923
75.260
1.00
6.01

ATOM
1447
CA
ILE
380
18.088
41.817
76.308
1.00
4.05

ATOM
1448
CB
ILE
380
16.676
42.413
75.983
1.00
4.23

ATOM
1449
CG2
ILE
380
16.211
43.363
77.114
1.00
4.05

ATOM
1450
CG1
ILE
380
16.740
43.090
74.596
1.00
7.39

ATOM
1451
CD1
ILE
380
15.437
43.643
74.134
1.00
7.36

ATOM
1452
C
ILE
380
18.052
41.096
77.637
1.00
4.63

ATOM
1453
O
ILE
380
17.506
39.972
77.753
1.00
4.54

ATOM
1454
N
ALA
381
18.600
41.753
78.665
1.00
3.68

ATOM
1456
CA
ALA
381
18.646
41.193
79.985
1.00
5.86

ATOM
1457
CB
ALA
381
20.124
40.726
80.309
1.00
4.71

ATOM
1458
C
ALA
381
18.171
42.187
81.075
1.00
6.27

ATOM
1459
O
ALA
381
17.897
43.391
80.826
1.00
6.81

ATOM
1460
N
ASP
382
18.143
41.662
82.287
1.00
7.15

ATOM
1462
CA
ASP
382
17.753
42.393
83.495
1.00
6.71

ATOM
1463
CB
ASP
382
18.777
43.460
83.844
1.00
9.17

ATOM
1464
CG
ASP
382
18.576
44.005
85.266
1.00
12.95

ATOM
1465
OD1
ASP
382
19.508
44.625
85.778
1.00
16.02

ATOM
1466
OD2
ASP
382
17.515
43.747
85.882
1.00
12.88

ATOM
1467
C
ASP
382
16.390
43.016
83.401
1.00
8.02

ATOM
1468
O
ASP
382
16.241
44.204
83.113
1.00
8.10

ATOM
1469
N
PHE
383
15.384
42.209
83.699
1.00
7.98

ATOM
1471
CA
PHE
383
13.996
42.627
83.655
1.00
8.46

ATOM
1472
CB
PHE
383
13.180
41.433
83.124
1.00
8.36

ATOM
1473
CG
PHE
383
13.564
41.017
81.709
1.00
11.11

ATOM
1474
CD1
PHE
383
12.949
41.607
80.607
1.00
11.02

ATOM
1475
CD2
PHE
383
14.592
40.111
81.489
1.00
10.97

ATOM
1476
CE1
PHE
383
13.380
41.293
79.283
1.00
11.05

ATOM
1477
CE2
PHE
383
15.013
39.802
80.166
1.00
13.87

ATOM
1478
CZ
PHE
383
14.408
40.400
79.082
1.00
9.97

ATOM
1479
C
PHE
383
13.459
43.104
85.023
1.00
8.84

ATOM
1480
O
PHE
383
12.281
43.006
85.287
1.00
9.41

ATOM
1481
N
GLY
384
14.351
43.566
85.891
1.00
9.27

ATOM
1483
CA
GLY
384
13.939
44.014
87.221
1.00
9.87

ATOM
1484
C
GLY
384
12.934
45.151
87.217
1.00
11.29

ATOM
1485
O
GLY
384
11.997
45.191
88.033
1.00
8.71

ATOM
1486
N
LEU
385
13.131
46.103
86.303
1.00
9.04

ATOM
1488
CA
LEU
385
12.224
47.217
86.224
1.00
8.32

ATOM
1489
CB
LEU
385
13.035
48.490
85.924
1.00
9.56

ATOM
1490
CG
LEU
385
13.985
48.890
87.070
1.00
10.82

ATOM
1491
CD1
LEU
385
14.808
50.197
86.660
1.00
13.00

ATOM
1492
CD2
LEU
385
13.197
49.130
88.366
1.00
11.41

ATOM
1493
C
LEU
385
11.131
47.037
85.199
1.00
8.31

ATOM
1494
O
LEU
385
10.258
47.897
85.059
1.00
7.36

ATOM
1495
N
ALA
386
11.194
45.927
84.457
1.00
6.60

ATOM
1497
CA
ALA
386
10.224
45.678
83.384
1.00
8.27

ATOM
1498
CB
ALA
386
10.632
44.406
82.587
1.00
4.24

ATOM
1499
C
ALA
386
8.810
45.563
83.911
1.00
9.72

ATOM
1500
O
ALA
386
8.602
44.969
84.987
1.00
10.64

ATOM
1501
N
ARG
387
7.841
46.047
83.132
1.00
9.50

ATOM
1503
CA
ARG
387
6.430
46.084
83.531
1.00
11.62

ATOM
1504
CB
ARG
387
6.080
47.473
84.106
1.00
11.18

ATOM
1505
CG
ARG
387
6.824
47.881
85.379
1.00
16.85

ATOM
1506
CD
ARG
387
6.650
46.874
86.550
1.00
12.98

ATOM
1507
NE
ARG
387
7.323
47.389
87.733
1.00
14.69

ATOM
1509
CZ
ARG
387
8.473
46.964
88.256
1.00
14.33

ATOM
1510
NH1
ARG
387
9.178
45.951
87.724
1.00
13.07

ATOM
1513
NH2
ARG
387
8.928
47.575
89.352
1.00
14.51

ATOM
1516
C
ARG
387
5.446
45.880
82.394
1.00
11.46

ATOM
1517
O
ARG
387
5.706
46.265
81.267
1.00
9.12

ATOM
1518
N
LEU
388
4.324
45.227
82.714
1.00
12.72

ATOM
1520
CA
LEU
388
3.248
45.031
81.775
1.00
15.05

ATOM
1521
CB
LEU
388
2.345
43.844
82.196
1.00
14.65

ATOM
1522
CG
LEU
388
1.060
43.555
81.375
1.00
14.87

ATOM
1523
CD1
LEU
388
1.351
43.464
79.893
1.00
13.38

ATOM
1524
CD2
LEU
388
0.416
42.242
81.874
1.00
14.82

ATOM
1525
C
LEU
388
2.449
46.318
81.792
1.00
17.48

ATOM
1526
O
LEU
388
2.098
46.839
82.847
1.00
17.50

ATOM
1527
N
ILE
389
2.290
46.899
80.622
1.00
20.52

ATOM
1529
CA
ILE
389
1.560
48.120
80.420
1.00
24.70

ATOM
1530
CB
ILE
389
2.178
48.835
79.198
1.00
26.16

ATOM
1531
CG2
ILE
389
1.254
49.885
78.627
1.00
27.35

ATOM
1532
CG1
ILE
389
3.557
49.366
79.549
1.00
26.34

ATOM
1533
CD1
ILE
389
3.586
50.174
80.857
1.00
27.98

ATOM
1534
C
ILE
389
0.061
47.828
80.162
1.00
27.71

ATOM
1535
O
ILE
389
−0.322
47.340
79.089
1.00
28.01

ATOM
1536
N
GLU
390
−0.774
48.060
81.166
1.00
29.07

ATOM
1538
CA
GLU
390
−2.221
47.851
81.036
1.00
33.31

ATOM
1539
CB
GLU
390
−2.858
47.921
82.428
1.00
35.64

ATOM
1540
CG
GLU
390
−2.062
47.175
83.493
1.00
38.85

ATOM
1541
CD
GLU
390
−2.423
45.698
83.589
1.00
41.95

ATOM
1542
OE1
GLU
390
−3.519
45.302
83.111
1.00
43.61

ATOM
1543
OE2
GLU
390
−1.623
44.934
84.182
1.00
44.08

ATOM
1544
C
GLU
390
−2.847
48.913
80.102
1.00
35.51

ATOM
1545
O
GLU
390
−3.491
48.588
79.107
1.00
34.45

ATOM
1546
N
ASP
391
−2.695
50.191
80.464
1.00
36.04

ATOM
1548
CA
ASP
391
−3.160
51.288
79.617
1.00
37.62

ATOM
1549
CB
ASP
391
−3.698
52.456
80.450
1.00
39.24

ATOM
1550
CG
ASP
391
−5.195
52.345
80.720
1.00
40.30

ATOM
1551
OD1
ASP
391
−5.570
52.062
81.881
1.00
41.07

ATOM
1552
OD2
ASP
391
−5.986
52.535
79.767
1.00
39.64

ATOM
1553
C
ASP
391
−1.973
51.702
78.765
1.00
38.38

ATOM
1554
O
ASP
391
−1.336
50.821
78.186
1.00
39.43

ATOM
1555
N
ALA
392
−1.635
52.976
78.645
1.00
36.06

ATOM
1557
CA
ALA
392
−0.445
53.263
77.842
1.00
35.60

ATOM
1558
CB
ALA
392
−0.733
54.383
76.820
1.00
36.17

ATOM
1559
C
ALA
392
0.806
53.611
78.653
1.00
34.60

ATOM
1560
O
ALA
392
1.930
53.541
78.123
1.00
33.20

ATOM
1561
N
GLU
393
0.646
53.747
79.970
1.00
33.89

ATOM
1563
CA
GLU
393
1.740
54.243
80.795
1.00
34.08

ATOM
1564
CB
GLU
393
1.482
55.762
80.859
1.00
36.56

ATOM
1565
CG
GLU
393
2.562
56.693
81.308
1.00
41.00

ATOM
1566
CD
GLU
393
2.130
58.166
81.130
1.00
43.97

ATOM
1567
OE1
GLU
393
1.076
58.563
81.679
1.00
44.55

ATOM
1568
OE2
GLU
393
2.846
58.928
80.437
1.00
45.51

ATOM
1569
C
GLU
393
1.893
53.683
82.221
1.00
32.38

ATOM
1570
O
GLU
393
0.924
53.346
82.896
1.00
33.15

ATOM
1571
N
PTR
394
3.135
53.619
82.686
1.00
29.72

ATOM
1572
CA
PTR
394
3.450
53.199
84.044
1.00
28.19

ATOM
1573
C
PTR
394
4.041
54.413
84.728
1.00
26.93

ATOM
1574
O
PTR
394
4.806
55.192
84.107
1.00
26.68

ATOM
1575
CB
PTR
394
4.461
52.018
84.057
1.00
28.69

ATOM
1576
CG
PTR
394
4.947
51.604
85.475
1.00
30.42

ATOM
1577
CD1
PTR
394
6.052
52.413
86.037
1.00
31.83

ATOM
1578
CD2
PTR
394
4.438
50.580
86.206
1.00
32.13

ATOM
1579
CE1
PTR
394
6.517
52.056
87.318
1.00
34.02

ATOM
1580
CE2
PTR
394
4.903
50.219
87.487
1.00
32.68

ATOM
1581
CZ
PTR
394
5.976
50.995
88.021
1.00
34.04

ATOM
1582
OH
PTR
394
6.505
50.679
89.298
1.00
36.71

ATOM
1583
P
PTR
394
6.117
49.669
90.441
1.00
39.45

ATOM
1584
O1P
PTR
394
7.229
49.796
91.357
1.00
39.10

ATOM
1585
O2P
PTR
394
5.920
48.150
90.168
1.00
39.40

ATOM
1586
O3P
PTR
394
4.923
50.270
90.894
1.00
38.95

ATOM
1587
N
THR
395
3.590
54.670
85.950
1.00
26.11

ATOM
1589
CA
THR
395
4.088
55.800
86.722
1.00
25.74

ATOM
1590
CB
THR
395
2.918
56.697
87.183
1.00
24.73

ATOM
1591
OG1
THR
395
2.191
57.126
86.018
1.00
24.08

ATOM
1593
CG2
THR
395
3.438
57.927
87.934
1.00
25.09

ATOM
1594
C
THR
395
4.860
55.306
87.920
1.00
25.68

ATOM
1595
O
THR
395
4.342
54.492
88.695
1.00
24.31

ATOM
1596
N
ALA
396
6.140
55.668
87.984
1.00
26.54

ATOM
1598
CA
ALA
396
6.989
55.278
89.098
1.00
28.10

ATOM
1599
CB
ALA
396
8.464
55.588
88.771
1.00
27.74

ATOM
1600
C
ALA
396
6.547
56.073
90.312
1.00
29.65

ATOM
1601
O
ALA
396
5.877
57.104
90.150
1.00
31.08

ATOM
1602
N
ARG
397
6.911
55.663
91.519
1.00
31.81

ATOM
1604
CA
ARG
397
6.452
56.459
92.646
1.00
34.40

ATOM
1605
CB
ARG
397
5.970
55.570
93.780
1.00
35.57

ATOM
1606
CG
ARG
397
6.985
55.307
94.848
1.00
38.18

ATOM
1607
CD
ARG
397
6.817
56.289
96.038
1.00
40.04

ATOM
1608
NE
ARG
397
6.023
57.485
95.728
1.00
40.90

ATOM
1610
CZ
ARG
397
4.703
57.582
95.897
1.00
40.28

ATOM
1611
NH1
ARG
397
4.018
56.556
96.373
1.00
40.76

ATOM
1614
NH2
ARG
397
4.069
58.708
95.600
1.00
40.55

ATOM
1617
C
ARG
397
7.435
57.547
93.051
1.00
34.46

ATOM
1618
O
ARG
397
8.630
57.455
92.768
1.00
34.83

ATOM
1619
N
ALA
398
6.869
58.640
93.559
1.00
35.64

ATOM
1621
CA
ALA
398
7.548
59.886
93.948
1.00
35.34

ATOM
1622
CB
ALA
398
6.905
60.503
95.211
1.00
35.64

ATOM
1623
C
ALA
398
9.065
59.964
94.030
1.00
34.51

ATOM
1624
O
ALA
398
9.687
60.755
93.296
1.00
36.64

ATOM
1625
N
GLY
399
9.679
59.176
94.902
1.00
34.00

ATOM
1627
CA
GLY
399
11.124
59.263
95.047
1.00
32.81

ATOM
1628
C
GLY
399
11.992
58.359
94.192
1.00
31.38

ATOM
1629
O
GLY
399
13.204
58.293
94.413
1.00
31.87

ATOM
1630
N
ALA
400
11.390
57.672
93.227
1.00
28.96

ATOM
1632
CA
ALA
400
12.137
56.790
92.344
1.00
27.32

ATOM
1633
CB
ALA
400
11.174
56.056
91.394
1.00
26.93

ATOM
1634
C
ALA
400
13.176
57.556
91.544
1.00
25.78

ATOM
1635
O
ALA
400
12.899
58.602
90.986
1.00
26.61

ATOM
1636
N
ALA
401
14.402
57.059
91.524
1.00
25.56

ATOM
1638
CA
ALA
401
15.449
57.735
90.786
1.00
24.04

ATOM
1639
CB
ALA
401
16.606
58.096
91.755
1.00
23.91

ATOM
1640
C
ALA
401
15.933
56.851
89.634
1.00
23.70

ATOM
1641
O
ALA
401
15.934
55.619
89.771
1.00
24.65

ATOM
1642
N
PHE
402
16.272
57.449
88.495
1.00
21.51

ATOM
1644
CA
PHE
402
16.758
56.704
87.299
1.00
20.26

ATOM
1645
CB
PHE
402
15.642
56.605
86.236
1.00
19.45

ATOM
1646
CG
PHE
402
14.362
56.003
86.750
1.00
19.99

ATOM
1647
CD1
PHE
402
13.375
56.818
87.331
1.00
18.30

ATOM
1648
CD2
PHE
402
14.174
54.624
86.739
1.00
17.24

ATOM
1649
CE1
PHE
402
12.214
56.264
87.885
1.00
18.60

ATOM
1650
CE2
PHE
402
13.016
54.065
87.296
1.00
18.88

ATOM
1651
CZ
PHE
402
12.035
54.890
87.881
1.00
17.36

ATOM
1652
C
PHE
402
17.992
57.390
86.685
1.00
19.72

ATOM
1653
O
PHE
402
18.205
58.604
86.908
1.00
19.51

ATOM
1654
N
PRO
403
18.841
56.633
85.948
1.00
17.61

ATOM
1655
CD
PRO
403
18.654
55.224
85.565
1.00
17.37

ATOM
1656
CA
PRO
403
20.063
57.183
85.321
1.00
15.21

ATOM
1657
CB
PRO
403
20.615
55.998
84.521
1.00
14.52

ATOM
1658
CG
PRO
403
20.064
54.794
85.246
1.00
16.35

ATOM
1659
C
PRO
403
19.614
58.268
84.390
1.00
14.03

ATOM
1660
O
PRO
403
18.940
57.991
83.393
1.00
12.56

ATOM
1661
N
ILE
404
19.955
59.506
84.727
1.00
10.55

ATOM
1663
CA
ILE
404
19.548
60.642
83.932
1.00
9.23

ATOM
1664
CB
ILE
404
20.103
61.969
84.556
1.00
8.33

ATOM
1665
CG2
ILE
404
19.856
63.198
83.614
1.00
7.22

ATOM
1666
CG1
ILE
404
19.428
62.279
85.898
1.00
10.89

ATOM
1667
CD1
ILE
404
18.045
62.761
85.740
1.00
15.61

ATOM
1668
C
ILE
404
19.958
60.551
82.463
1.00
9.05

ATOM
1669
O
ILE
404
19.168
60.830
81.581
1.00
10.29

ATOM
1670
N
LYS
405
21.218
60.216
82.199
1.00
7.51

ATOM
1672
CA
LYS
405
21.697
60.166
80.805
1.00
7.74

ATOM
1673
CB
LYS
405
23.199
59.976
80.757
1.00
7.91

ATOM
1674
CG
LYS
405
24.009
61.154
81.381
1.00
9.19

ATOM
1675
CD
LYS
405
25.544
60.934
81.284
1.00
12.01

ATOM
1676
CE
LYS
405
26.376
62.219
81.618
1.00
13.50

ATOM
1677
NZ
LYS
405
27.864
62.237
81.067
1.00
14.45

ATOM
1681
C
LYS
405
20.997
59.190
79.840
1.00
7.52

ATOM
1682
O
LYS
405
20.987
59.451
78.641
1.00
5.32

ATOM
1683
N
TRP
406
20.325
58.163
80.367
1.00
7.25

ATOM
1685
CA
TRP
406
19.631
57.158
79.533
1.00
10.21

ATOM
1686
CB
TRP
406
19.925
55.740
80.065
1.00
8.91

ATOM
1687
CG
TRP
406
21.236
55.217
79.637
1.00
10.41

ATOM
1688
CD2
TRP
406
22.496
55.427
80.271
1.00
8.35

ATOM
1689
CE2
TRP
406
23.476
54.814
79.452
1.00
9.11

ATOM
1690
CE3
TRP
406
22.905
56.078
81.433
1.00
7.48

ATOM
1691
CD1
TRP
406
21.484
54.492
78.508
1.00
10.63

ATOM
1692
NE1
TRP
406
22.822
54.251
78.391
1.00
9.36

ATOM
1694
CZ2
TRP
406
24.831
54.821
79.776
1.00
8.58

ATOM
1695
CZ3
TRP
406
24.260
56.094
81.756
1.00
9.59

ATOM
1696
CH2
TRP
406
25.210
55.475
80.918
1.00
8.77

ATOM
1697
C
TRP
406
18.106
57.292
79.568
1.00
11.44

ATOM
1698
O
TRP
406
17.387
56.668
78.809
1.00
12.49

ATOM
1699
N
THR
407
17.617
58.073
80.511
1.00
11.51

ATOM
1701
CA
THR
407
16.181
58.167
80.689
1.00
12.67

ATOM
1702
CB
THR
407
15.816
58.202
82.219
1.00
12.98

ATOM
1703
OG1
THR
407
16.463
57.099
82.887
1.00
12.38

ATOM
1705
CG2
THR
407
14.310
58.062
82.403
1.00
12.55

ATOM
1706
C
THR
407
15.504
59.303
79.948
1.00
12.08

ATOM
1707
O
THR
407
16.003
60.425
79.927
1.00
11.81

ATOM
1708
N
ALA
408
14.300
59.017
79.445
1.00
11.28

ATOM
1710
CA
ALA
408
13.510
59.970
78.686
1.00
10.42

ATOM
1711
CB
ALA
408
12.267
59.252
78.095
1.00
8.62

ATOM
1712
C
ALA
408
13.090
61.129
79.566
1.00
10.45

ATOM
1713
O
ALA
408
12.737
60.925
80.724
1.00
10.17

ATOM
1714
N
PRO
409
13.067
62.356
79.035
1.00
12.06

ATOM
1715
CD
PRO
409
13.188
62.730
77.611
1.00
10.84

ATOM
1716
CA
PRO
409
12.681
63.524
79.862
1.00
12.48

ATOM
1717
CB
PRO
409
12.645
64.690
78.844
1.00
10.99

ATOM
1718
CG
PRO
409
13.517
64.202
77.667
1.00
9.44

ATOM
1719
C
PRO
409
11.341
63.395
80.598
1.00
13.51

ATOM
1720
O
PRO
409
11.274
63.733
81.780
1.00
13.39

ATOM
1721
N
GLU
410
10.309
62.825
79.950
1.00
13.66

ATOM
1723
CA
GLU
410
9.008
62.686
80.601
1.00
14.05

ATOM
1724
CB
GLU
410
7.929
62.164
79.618
1.00
14.74

ATOM
1725
CG
GLU
410
8.157
60.712
79.139
1.00
14.11

ATOM
1726
CD
GLU
410
9.006
60.589
77.855
1.00
13.92

ATOM
1727
OE1
GLU
410
9.609
61.586
77.412
1.00
17.79

ATOM
1728
OE2
GLU
410
9.055
59.487
77.268
1.00
10.94

ATOM
1729
C
GLU
410
9.096
61.754
81.789
1.00
15.51

ATOM
1730
O
GLU
410
8.327
61.851
82.762
1.00
15.28

ATOM
1731
N
ALA
411
10.070
60.839
81.740
1.00
13.77

ATOM
1733
CA
ALA
411
10.273
59.891
82.842
1.00
13.86

ATOM
1734
CB
ALA
411
10.993
58.635
82.349
1.00
11.70

ATOM
1735
C
ALA
411
11.038
60.542
83.979
1.00
15.69

ATOM
1736
O
ALA
411
10.800
60.260
85.160
1.00
16.64

ATOM
1737
N
ILE
412
12.015
61.375
83.623
1.00
17.12

ATOM
1739
CA
ILE
412
12.777
62.111
84.637
1.00
17.37

ATOM
1740
CB
ILE
412
13.973
62.899
83.992
1.00
17.17

ATOM
1741
CG2
ILE
412
14.591
63.878
84.984
1.00
15.66

ATOM
1742
CG1
ILE
412
15.060
61.930
83.462
1.00
17.50

ATOM
1743
CD1
ILE
412
16.132
62.644
82.494
1.00
17.00

ATOM
1744
C
ILE
412
11.843
63.117
85.337
1.00
19.20

ATOM
1745
O
ILE
412
11.727
63.116
86.550
1.00
20.37

ATOM
1746
N
ASN
413
11.091
63.865
84.522
1.00
19.09

ATOM
1748
CA
ASN
413
10.193
64.901
84.980
1.00
22.25

ATOM
1749
CB
ASN
413
9.782
65.838
83.812
1.00
20.96

ATOM
1750
CG
ASN
413
10.949
66.645
83.252
1.00
23.09

ATOM
1751
OD1
ASN
413
11.885
66.995
83.973
1.00
24.79

ATOM
1752
ND2
ASN
413
10.902
66.945
81.961
1.00
24.01

ATOM
1755
C
ASN
413
8.921
64.436
85.696
1.00
22.36

ATOM
1756
O
ASN
413
8.634
64.894
86.796
1.00
25.00

ATOM
1757
N
TYR
414
8.177
63.525
85.073
1.00
24.57

ATOM
1759
CA
TYR
414
6.898
63.071
85.616
1.00
24.50

ATOM
1760
CB
TYR
414
5.790
63.345
84.593
1.00
24.84

ATOM
1761
CG
TYR
414
5.842
64.728
83.981
1.00
26.70

ATOM
1762
CD1
TYR
414
5.987
65.875
84.772
1.00
28.30

ATOM
1763
CE1
TYR
414
6.144
67.142
84.198
1.00
27.43

ATOM
1764
CD2
TYR
414
5.821
64.896
82.605
1.00
29.06

ATOM
1765
CE2
TYR
414
5.979
66.157
82.025
1.00
29.86

ATOM
1766
CZ
TYR
414
6.131
67.273
82.833
1.00
30.46

ATOM
1767
OH
TYR
414
6.329
68.528
82.252
1.00
32.92

ATOM
1769
C
TYR
414
6.825
61.638
86.113
1.00
23.44

ATOM
1770
O
TYR
414
5.803
61.207
86.625
1.00
25.42

ATOM
1771
N
GLY
415
7.928
60.899
86.015
1.00
22.95

ATOM
1773
CA
GLY
415
7.922
59.520
86.467
1.00
21.12

ATOM
1774
C
GLY
415
7.123
58.621
85.520
1.00
18.78

ATOM
1775
O
GLY
415
6.916
57.437
85.802
1.00
18.47

ATOM
1776
N
THR
416
6.722
59.172
84.383
1.00
18.49

ATOM
1778
CA
THR
416
5.939
58.434
83.396
1.00
18.76

ATOM
1779
CB
THR
416
4.974
59.380
82.694
1.00
19.70

ATOM
1780
OG1
THR
416
5.715
60.494
82.206
1.00
25.21

ATOM
1782
CG2
THR
416
3.918
59.920
83.703
1.00
23.33

ATOM
1783
C
THR
416
6.793
57.704
82.348
1.00
15.58

ATOM
1784
O
THR
416
7.590
58.312
81.606
1.00
15.63

ATOM
1785
N
PHE
417
6.559
56.397
82.263
1.00
14.22

ATOM
1787
CA
PHE
417
7.250
55.502
81.344
1.00
12.90

ATOM
1788
CB
PHE
417
7.911
54.364
82.118
1.00
12.43

ATOM
1789
CG
PHE
417
9.134
54.763
82.853
1.00
13.25

ATOM
1790
CD1
PHE
417
9.057
55.226
84.174
1.00
12.35

ATOM
1791
CD2
PHE
417
10.383
54.601
82.258
1.00
13.08

ATOM
1792
CE1
PHE
417
10.217
55.598
84.848
1.00
14.79

ATOM
1793
CE2
PHE
417
11.526
54.969
82.916
1.00
13.12

ATOM
1794
CZ
PHE
417
11.449
55.437
84.228
1.00
14.79

ATOM
1795
C
PHE
417
6.304
54.829
80.382
1.00
12.95

ATOM
1796
O
PHE
417
5.224
54.345
80.793
1.00
11.58

ATOM
1797
N
THR
418
6.686
54.787
79.118
1.00
9.37

ATOM
1799
CA
THR
418
5.913
54.095
78.072
1.00
9.20

ATOM
1800
CB
THR
418
5.073
55.056
77.147
1.00
11.14

ATOM
1801
OG1
THR
418
5.959
55.769
76.311
1.00
12.07

ATOM
1803
CG2
THR
418
4.246
56.057
77.952
1.00
12.81

ATOM
1804
C
THR
418
6.951
53.449
77.191
1.00
6.81

ATOM
1805
O
THR
418
8.154
53.657
77.387
1.00
8.90

ATOM
1806
N
ILE
419
6.542
52.686
76.204
1.00
6.90

ATOM
1808
CA
ILE
419
7.520
52.054
75.319
1.00
6.26

ATOM
1809
CB
ILE
419
6.799
51.100
74.313
1.00
6.92

ATOM
1810
CG2
ILE
419
6.000
51.927
73.287
1.00
8.94

ATOM
1811
CG1
ILE
419
7.798
50.165
73.599
1.00
5.41

ATOM
1812
CD1
ILE
419
8.540
49.171
74.529
1.00
6.59

ATOM
1813
C
ILE
419
8.350
53.143
74.577
1.00
8.26

ATOM
1814
O
ILE
419
9.488
52.908
74.138
1.00
5.34

ATOM
1815
N
LYS
420
7.806
54.364
74.521
1.00
6.34

ATOM
1817
CA
LYS
420
8.520
55.484
73.854
1.00
4.08

ATOM
1818
CB
LYS
420
7.551
56.644
73.531
1.00
2.68

ATOM
1819
CG
LYS
420
6.438
56.270
72.514
1.00
3.67

ATOM
1820
CD
LYS
420
6.999
55.671
71.209
1.00
5.03

ATOM
1821
CE
LYS
420
5.953
55.772
70.043
1.00
6.23

ATOM
1822
NZ
LYS
420
6.424
54.981
68.875
1.00
7.07

ATOM
1826
C
LYS
420
9.676
55.986
74.697
1.00
4.79

ATOM
1827
O
LYS
420
10.576
56.650
74.186
1.00
6.52

ATOM
1828
N
SER
421
9.629
55.723
76.004
0.84
4.97

ATOM
1830
CA
SER
421
10.729
56.084
76.893
0.84
3.95

ATOM
1831
CB
SER
421
10.352
55.960
78.402
0.84
5.49

ATOM
1832
OG
SER
421
9.094
56.468
78.668
0.84
10.14

ATOM
1834
C
SER
421
11.856
55.117
76.617
0.84
3.16

ATOM
1835
O
SER
421
13.021
55.456
76.709
0.84
2.00

ATOM
1836
N
ASP
422
11.490
53.857
76.377
1.00
4.50

ATOM
1838
CA
ASP
422
12.512
52.860
76.032
1.00
5.52

ATOM
1839
CB
ASP
422
11.915
51.447
75.914
1.00
6.76

ATOM
1840
CG
ASP
422
11.665
50.773
77.266
1.00
9.09

ATOM
1841
OD1
ASP
422
12.156
51.243
78.339
1.00
4.99

ATOM
1842
OD2
ASP
422
10.963
49.730
77.229
1.00
9.59

ATOM
1843
C
ASP
422
13.142
53.267
74.694
1.00
3.86

ATOM
1844
O
ASP
422
14.361
53.122
74.463
1.00
2.91

ATOM
1845
N
VAL
423
12.304
53.759
73.783
1.00
4.15

ATOM
1847
CA
VAL
423
12.848
54.225
72.504
1.00
4.40

ATOM
1848
CB
VAL
423
11.735
54.766
71.550
1.00
5.29

ATOM
1849
CG1
VAL
423
12.373
55.463
70.292
1.00
5.10

ATOM
1850
CG2
VAL
423
10.844
53.619
71.040
1.00
4.81

ATOM
1851
C
VAL
423
13.944
55.267
72.711
1.00
3.42

ATOM
1852
O
VAL
423
15.025
55.180
72.099
1.00
3.11

ATOM
1853
N
TRP
424
13.687
56.245
73.583
1.00
4.34

ATOM
1855
CA
TRP
424
14.703
57.278
73.898
1.00
3.74

ATOM
1856
CB
TRP
424
14.186
58.216
75.004
1.00
3.96

ATOM
1857
CG
TRP
424
15.148
59.270
75.367
1.00
4.52

ATOM
1858
CD2
TRP
424
15.071
60.663
75.021
1.00
4.48

ATOM
1859
CE2
TRP
424
16.218
61.297
75.562
1.00
5.86

ATOM
1860
CE3
TRP
424
14.137
61.450
74.307
1.00
6.03

ATOM
1861
CD1
TRP
424
16.312
59.108
76.079
1.00
4.73

ATOM
1862
NE1
TRP
424
16.952
60.329
76.206
1.00
2.83

ATOM
1864
CZ2
TRP
424
16.470
62.682
75.422
1.00
5.37

ATOM
1865
CZ3
TRP
424
14.387
62.856
74.166
1.00
6.25

ATOM
1866
CH2
TRP
424
15.546
63.436
74.725
1.00
3.32

ATOM
1867
C
TRP
424
16.007
56.611
74.391
1.00
5.05

ATOM
1868
O
TRP
424
17.113
56.965
73.917
1.00
6.14

ATOM
1869
N
SER
425
15.858
55.672
75.338
0.74
2.00

ATOM
1871
CA
SER
425
16.988
54.915
75.894
0.74
2.00

ATOM
1872
CB
SER
425
16.515
53.928
76.981
0.74
2.95

ATOM
1873
OG
SER
425
15.796
54.605
78.015
0.74
2.82

ATOM
1875
C
SER
425
17.764
54.161
74.834
0.74
2.00

ATOM
1876
O
SER
425
18.976
54.040
74.889
0.74
2.00

ATOM
1877
N
PHE
426
17.038
53.644
73.857
1.00
2.05

ATOM
1879
CA
PHE
426
17.702
52.933
72.729
1.00
2.00

ATOM
1880
CB
PHE
426
16.643
52.335
71.789
1.00
2.00

ATOM
1881
CG
PHE
426
17.235
51.508
70.669
1.00
3.82

ATOM
1882
CD1
PHE
426
17.777
50.261
70.941
1.00
3.04

ATOM
1883
CD2
PHE
426
17.279
51.995
69.371
1.00
4.66

ATOM
1884
CE1
PHE
426
18.346
49.516
69.918
1.00
5.20

ATOM
1885
CE2
PHE
426
17.845
51.248
68.359
1.00
5.66

ATOM
1886
CZ
PHE
426
18.386
50.010
68.650
1.00
5.23

ATOM
1887
C
PHE
426
18.615
53.883
71.944
1.00
2.84

ATOM
1888
O
PHE
426
19.761
53.550
71.593
1.00
2.64

ATOM
1889
N
GLY
427
18.148
55.108
71.716
1.00
2.95

ATOM
1891
CA
GLY
427
19.003
56.051
70.984
1.00
2.56

ATOM
1892
C
GLY
427
20.309
56.268
71.740
1.00
3.41

ATOM
1893
O
GLY
427
21.375
56.316
71.143
1.00
5.01

ATOM
1894
N
ILE
428
20.218
56.398
73.062
1.00
2.32

ATOM
1896
CA
ILE
428
21.404
56.562
73.886
1.00
2.51

ATOM
1897
CB
ILE
428
21.044
56.798
75.385
1.00
2.00

ATOM
1898
CG2
ILE
428
22.348
56.986
76.232
1.00
4.15

ATOM
1899
CG1
ILE
428
20.075
58.015
75.551
1.00
3.53

ATOM
1900
CD1
ILE
428
20.655
59.343
75.055
1.00
3.34

ATOM
1901
C
ILE
428
22.255
55.299
73.798
1.00
3.22

ATOM
1902
O
ILE
428
23.488
55.352
73.695
1.00
2.00

ATOM
1903
N
LEU
429
21.588
54.146
73.849
1.00
5.03

ATOM
1905
CA
LEU
429
22.300
52.873
73.737
1.00
4.88

ATOM
1906
CB
LEU
429
21.303
51.682
73.883
1.00
5.84

ATOM
1907
CG
LEU
429
21.893
50.289
74.195
1.00
8.89

ATOM
1908
CD1
LEU
429
20.796
49.309
74.701
1.00
5.51

ATOM
1909
CD2
LEU
429
22.507
49.742
72.917
1.00
10.48

ATOM
1910
C
LEU
429
23.134
52.812
72.436
1.00
3.30

ATOM
1911
O
LEU
429
24.248
52.361
72.435
1.00
3.13

ATOM
1912
N
LEU
430
22.571
53.297
71.326
1.00
4.74

ATOM
1914
CA
LEU
430
23.271
53.350
70.055
1.00
5.38

ATOM
1915
CB
LEU
430
22.407
53.988
68.973
1.00
4.05

ATOM
1916
CG
LEU
430
21.146
53.206
68.574
1.00
4.57

ATOM
1917
CD1
LEU
430
20.360
54.072
67.628
1.00
5.38

ATOM
1918
CD2
LEU
430
21.476
51.819
67.911
1.00
5.08

ATOM
1919
C
LEU
430
24.592
54.116
70.130
1.00
3.87

ATOM
1920
O
LEU
430
25.534
53.745
69.411
1.00
4.14

ATOM
1921
N
THR
431
24.627
55.186
70.943
1.00
3.19

ATOM
1923
CA
THR
431
25.866
55.948
71.123
1.00
4.13

ATOM
1924
CB
THR
431
25.674
57.329
71.881
1.00
6.10

ATOM
1925
OG1
THR
431
25.431
57.085
73.283
1.00
4.45

ATOM
1927
CG2
THR
431
24.482
58.149
71.271
1.00
3.43

ATOM
1928
C
THR
431
26.864
55.068
71.868
1.00
5.42

ATOM
1929
O
THR
431
28.063
55.066
71.547
1.00
5.41

ATOM
1930
N
GLU
432
26.376
54.264
72.816
1.00
5.58

ATOM
1932
CA
GLU
432
27.294
53.343
73.514
1.00
5.91

ATOM
1933
CB
GLU
432
26.601
52.587
74.663
1.00
4.77

ATOM
1934
CG
GLU
432
26.024
53.501
75.738
1.00
6.02

ATOM
1935
CD
GLU
432
25.312
52.690
76.824
1.00
8.30

ATOM
1936
OE1
GLU
432
24.124
52.346
76.656
1.00
7.55

ATOM
1937
OE2
GLU
432
25.984
52.327
77.812
1.00
8.54

ATOM
1938
C
GLU
432
27.876
52.314
72.562
1.00
4.75

ATOM
1939
O
GLU
432
29.063
51.880
72.721
1.00
7.57

ATOM
1940
N
ILE
433
27.067
51.895
71.580
1.00
4.02

ATOM
1942
CA
ILE
433
27.573
50.891
70.640
1.00
5.75

ATOM
1943
CB
ILE
433
26.434
50.278
69.789
1.00
5.46

ATOM
1944
CG2
ILE
433
27.002
49.491
68.557
1.00
7.63

ATOM
1945
CG1
ILE
433
25.621
49.330
70.667
1.00
3.44

ATOM
1946
CD1
ILE
433
24.268
48.956
70.064
1.00
3.43

ATOM
1947
C
ILE
433
28.662
51.466
69.766
1.00
7.58

ATOM
1948
O
ILE
433
29.785
50.959
69.716
1.00
5.81

ATOM
1949
N
VAL
434
28.379
52.645
69.211
1.00
8.45

ATOM
1951
CA
VAL
434
29.334
53.291
68.302
1.00
10.29

ATOM
1952
CB
VAL
434
28.574
54.316
67.398
1.00
12.33

ATOM
1953
CG1
VAL
434
28.572
55.699
68.013
1.00
10.36

ATOM
1954
CG2
VAL
434
29.127
54.289
65.987
1.00
15.29

ATOM
1955
C
VAL
434
30.619
53.833
68.958
1.00
10.86

ATOM
1956
O
VAL
434
31.671
53.905
68.328
1.00
11.27

ATOM
1957
N
THR
435
30.578
54.184
70.235
1.00
9.46

ATOM
1959
CA
THR
435
31.790
54.635
70.917
1.00
10.41

ATOM
1960
CB
THR
435
31.459
55.722
71.927
1.00
9.86

ATOM
1961
OG1
THR
435
30.628
55.153
72.922
1.00
10.21

ATOM
1963
CG2
THR
435
30.747
56.926
71.238
1.00
5.06

ATOM
1964
C
THR
435
32.500
53.497
71.701
1.00
11.33

ATOM
1965
O
THR
435
33.333
53.724
72.552
1.00
9.52

ATOM
1966
N
HIS
436
32.095
52.255
71.426
1.00
10.76

ATOM
1968
CA
HIS
436
32.660
51.108
72.117
1.00
12.16

ATOM
1969
CB
HIS
436
34.092
50.771
71.622
1.00
14.36

ATOM
1970
CG
HIS
436
34.138
50.340
70.189
1.00
17.82

ATOM
1971
CD2
HIS
436
34.040
51.008
69.028
1.00
18.01

ATOM
1972
ND1
HIS
436
34.278
48.984
69.811
1.00
17.95

ATOM
1974
CE1
HIS
436
34.249
48.894
68.515
1.00
16.78

ATOM
1975
NE2
HIS
436
34.107
50.118
67.985
1.00
18.47

ATOM
1977
C
HIS
436
32.574
51.200
73.612
1.00
10.66

ATOM
1978
O
HIS
436
33.544
51.002
74.345
1.00
12.29

ATOM
1979
N
GLY
437
31.402
51.596
74.071
1.00
8.50

ATOM
1981
CA
GLY
437
31.165
51.663
75.495
1.00
9.22

ATOM
1982
C
GLY
437
31.423
52.924
76.259
1.00
8.30

ATOM
1983
O
GLY
437
31.442
52.845
77.479
1.00
10.50

ATOM
1984
N
ARG
438
31.604
54.072
75.605
0.58
4.33

ATOM
1986
CA
ARG
438
31.826
55.340
76.342
0.58
5.30

ATOM
1987
CB
ARG
438
32.316
56.432
75.375
0.58
5.27

ATOM
1988
CG
ARG
438
32.741
57.754
76.040
0.58
10.45

ATOM
1989
CD
ARG
438
33.316
58.745
75.006
0.58
12.08

ATOM
1990
NE
ARG
438
34.065
59.847
75.639
0.58
14.66

ATOM
1992
CZ
ARG
438
34.540
60.895
74.970
0.58
14.73

ATOM
1993
NH1
ARG
438
34.337
60.986
73.670
0.58
16.77

ATOM
1996
NH2
ARG
438
35.231
61.844
75.583
0.58
15.37

ATOM
1999
C
ARG
438
30.553
55.845
77.024
0.58
3.96

ATOM
2000
O
ARG
438
29.458
55.559
76.577
0.58
2.00

ATOM
2001
N
ILE
439
30.708
56.622
78.091
1.00
7.07

ATOM
2003
CA
ILE
439
29.595
57.199
78.814
1.00
4.89

ATOM
2004
CB
ILE
439
30.048
57.865
80.184
1.00
10.20

ATOM
2005
CG2
ILE
439
28.834
58.496
80.938
1.00
8.12

ATOM
2006
CG1
ILE
439
30.556
56.790
81.179
1.00
12.62

ATOM
2007
CD1
ILE
439
31.474
57.384
82.326
1.00
13.55

ATOM
2008
C
ILE
439
28.975
58.227
77.894
1.00
4.63

ATOM
2009
O
ILE
439
29.710
58.973
77.199
1.00
5.97

ATOM
2010
N
PRO
440
27.646
58.251
77.788
0.43
2.00

ATOM
2011
CD
PRO
440
26.726
57.301
78.423
0.43
2.00

ATOM
2012
CA
PRO
440
26.959
59.219
76.917
0.43
2.00

ATOM
2013
CB
PRO
440
25.487
58.794
77.006
0.43
2.00

ATOM
2014
CG
PRO
440
25.386
57.918
78.191
0.43
2.00

ATOM
2015
C
PRO
440
27.155
60.671
77.359
0.43
2.00

ATOM
2016
O
PRO
440
27.480
60.906
78.521
0.43
2.00

ATOM
2017
N
TYR
441
26.950
61.622
76.415
1.00
4.34

ATOM
2019
CA
TYR
441
27.095
63.053
76.690
1.00
5.14

ATOM
2020
CB
TYR
441
26.031
63.549
77.709
1.00
3.68

ATOM
2021
CG
TYR
441
24.582
63.337
77.265
1.00
4.65

ATOM
2022
CD1
TYR
441
24.002
64.215
76.326
1.00
3.69

ATOM
2023
CE1
TYR
441
22.697
64.058
75.898
1.00
4.62

ATOM
2024
CD2
TYR
441
23.804
62.283
77.756
1.00
4.82

ATOM
2025
CE2
TYR
441
22.478
62.117
77.334
1.00
3.03

ATOM
2026
CZ
TYR
441
21.941
63.015
76.402
1.00
2.94

ATOM
2027
OH
TYR
441
20.669
62.919
75.948
1.00
2.71

ATOM
2029
C
TYR
441
28.467
63.298
77.309
1.00
9.44

ATOM
2030
O
TYR
441
28.565
63.832
78.399
1.00
10.66

ATOM
2031
N
PRO
442
29.540
62.948
76.597
1.00
11.17

ATOM
2032
CD
PRO
442
29.574
62.539
75.175
1.00
12.12

ATOM
2033
CA
PRO
442
30.906
63.125
77.120
1.00
12.86

ATOM
2034
CB
PRO
442
31.783
62.839
75.897
1.00
13.07

ATOM
2035
CG
PRO
442
30.897
61.871
75.065
1.00
11.80

ATOM
2036
C
PRO
442
31.234
64.500
77.708
1.00
11.90

ATOM
2037
O
PRO
442
30.916
65.527
77.134
1.00
12.98

ATOM
2038
N
GLY
443
31.778
64.492
78.917
1.00
13.61

ATOM
2040
CA
GLY
443
32.196
65.743
79.530
1.00
13.89

ATOM
2041
C
GLY
443
31.127
66.578
80.150
1.00
13.55

ATOM
2042
O
GLY
443
31.388
67.706
80.537
1.00
13.44

ATOM
2043
N
MET
444
29.914
66.029
80.245
1.00
11.91

ATOM
2045
CA
MET
444
28.784
66.748
80.829
1.00
10.61

ATOM
2046
CB
MET
444
27.659
66.840
79.774
1.00
12.90

ATOM
2047
CG
MET
444
28.124
67.442
78.447
1.00
10.70

ATOM
2048
SD
MET
444
26.904
67.495
77.084
1.00
14.53

ATOM
2049
CE
MET
444
25.403
68.138
77.901
1.00
12.34

ATOM
2050
C
MET
444
28.243
66.060
82.080
1.00
11.01

ATOM
2051
O
MET
444
28.173
64.826
82.151
1.00
9.30

ATOM
2052
N
THR
445
27.813
66.864
83.048
1.00
9.72

ATOM
2054
CA
THR
445
27.207
66.359
84.241
1.00
9.39

ATOM
2055
CB
THR
445
27.354
67.395
85.397
1.00
12.53

ATOM
2056
OG1
THR
445
26.680
68.625
85.023
1.00
9.54

ATOM
2058
CG2
THR
445
28.837
67.653
85.703
1.00
10.72

ATOM
2059
C
THR
445
25.714
66.202
83.969
1.00
9.34

ATOM
2060
O
THR
445
25.201
66.651
82.926
1.00
6.96

ATOM
2061
N
ASN
446
24.991
65.596
84.900
1.00
8.17

ATOM
2063
CA
ASN
446
23.549
65.439
84.723
1.00
10.10

ATOM
2064
CB
ASN
446
22.950
64.647
85.888
1.00
11.33

ATOM
2065
CG
ASN
446
23.261
63.145
85.810
1.00
12.27

ATOM
2066
OD1
ASN
446
23.738
62.652
84.779
1.00
13.46

ATOM
2067
ND2
ASN
446
22.993
62.421
86.900
1.00
10.41

ATOM
2070
C
ASN
446
22.821
66.786
84.545
1.00
10.86

ATOM
2071
O
ASN
446
21.933
66.890
83.708
1.00
10.92

ATOM
2072
N
PRO
447
23.140
67.806
85.381
1.00
10.33

ATOM
2073
CD
PRO
447
23.818
67.712
86.697
1.00
11.30

ATOM
2074
CA
PRO
447
22.481
69.119
85.247
1.00
10.42

ATOM
2075
CB
PRO
447
23.137
69.936
86.370
1.00
12.22

ATOM
2076
CG
PRO
447
23.247
68.905
87.456
1.00
12.86

ATOM
2077
C
PRO
447
22.742
69.739
83.869
1.00
8.80

ATOM
2078
O
PRO
447
21.859
70.383
83.293
1.00
9.82

ATOM
2079
N
GLU
448
23.968
69.603
83.363
1.00
8.54

ATOM
2081
CA
GLU
448
24.300
70.112
82.029
1.00
8.10

ATOM
2082
CB
GLU
448
25.784
69.950
81.719
1.00
9.79

ATOM
2083
CG
GLU
448
26.674
71.007
82.384
1.00
13.23

ATOM
2084
CD
GLU
448
28.125
70.748
82.148
1.00
12.90

ATOM
2085
OE1
GLU
448
28.746
71.586
81.484
1.00
16.44

ATOM
2086
OE2
GLU
448
28.656
69.679
82.576
1.00
14.02

ATOM
2087
C
GLU
448
23.501
69.384
80.958
1.00
7.54

ATOM
2088
O
GLU
448
23.021
69.984
79.999
1.00
6.85

ATOM
2089
N
VAL
449
23.327
68.075
81.151
1.00
6.85

ATOM
2091
CA
VAL
449
22.532
67.273
80.174
1.00
6.66

ATOM
2092
CB
VAL
449
22.555
65.758
80.561
1.00
4.93

ATOM
2093
CG1
VAL
449
21.562
64.982
79.702
1.00
9.91

ATOM
2094
CG2
VAL
449
23.934
65.187
80.366
1.00
5.99

ATOM
2095
C
VAL
449
21.078
67.790
80.114
1.00
5.68

ATOM
2096
O
VAL
449
20.548
68.105
79.043
1.00
4.79

ATOM
2097
N
ILE
450
20.499
68.001
81.292
0.60
2.00

ATOM
2099
CA
ILE
450
19.152
68.541
81.399
0.60
3.50

ATOM
2100
CB
ILE
450
18.737
68.594
82.909
0.60
4.11

ATOM
2101
CG2
ILE
450
17.459
69.395
83.108
0.60
2.00

ATOM
2102
CG1
ILE
450
18.574
67.171
83.431
0.60
2.00

ATOM
2103
CD1
ILE
450
18.374
67.130
84.893
0.60
6.46

ATOM
2104
C
ILE
450
19.050
69.938
80.778
0.60
3.55

ATOM
2105
O
ILE
450
18.145
70.230
79.999
0.60
2.00

ATOM
2106
N
GLN
451
20.020
70.787
81.097
1.00
6.56

ATOM
2108
CA
GLN
451
20.075
72.158
80.571
1.00
9.94

ATOM
2109
CB
GLN
451
21.341
72.877
81.075
1.00
13.77

ATOM
2110
CG
GLN
451
21.464
73.121
82.565
1.00
20.58

ATOM
2111
CD
GLN
451
22.831
73.739
82.890
1.00
25.24

ATOM
2112
OE1
GLN
451
23.347
74.549
82.087
1.00
26.69

ATOM
2113
NE2
GLN
451
23.453
73.326
83.996
1.00
24.98

ATOM
2116
C
GLN
451
20.101
72.153
79.034
1.00
8.45

ATOM
2117
O
GLN
451
19.308
72.814
78.354
1.00
8.08

ATOM
2118
N
ASN
452
20.995
71.335
78.488
1.00
8.61

ATOM
2120
CA
ASN
452
21.107
71.178
77.038
1.00
9.38

ATOM
2121
CB
ASN
452
22.292
70.283
76.654
1.00
10.95

ATOM
2122
CG
ASN
452
23.612
71.048
76.615
1.00
13.96

ATOM
2123
OD1
ASN
452
24.486
70.740
75.827
1.00
18.85

ATOM
2124
ND2
ASN
452
23.768
71.995
77.491
1.00
16.27

ATOM
2127
C
ASN
452
19.856
70.626
76.392
1.00
9.06

ATOM
2128
O
ASN
452
19.417
71.113
75.327
1.00
8.73

ATOM
2129
N
LEU
453
19.287
69.588
76.984
1.00
8.56

ATOM
2131
CA
LEU
453
18.080
69.022
76.418
1.00
7.19

ATOM
2132
CB
LEU
453
17.612
67.814
77.228
1.00
7.76

ATOM
2133
CG
LEU
453
18.532
66.609
77.142
1.00
6.00

ATOM
2134
CD1
LEU
453
17.995
65.564
78.071
1.00
9.63

ATOM
2135
CD2
LEU
453
18.615
66.104
75.679
1.00
6.63

ATOM
2136
C
LEU
453
16.953
70.050
76.352
1.00
8.52

ATOM
2137
O
LEU
453
16.224
70.124
75.364
1.00
9.41

ATOM
2138
N
GLU
454
16.787
70.812
77.437
1.00
7.13

ATOM
2140
CA
GLU
454
15.724
71.802
77.494
1.00
9.15

ATOM
2141
CB
GLU
454
15.458
72.265
78.953
1.00
10.57

ATOM
2142
CG
GLU
454
14.804
71.090
79.746
1.00
14.54

ATOM
2143
CD
GLU
454
14.678
71.302
81.259
1.00
18.39

ATOM
2144
OE1
GLU
454
15.251
72.277
81.791
1.00
19.85

ATOM
2145
OE2
GLU
454
14.003
70.466
81.910
1.00
18.65

ATOM
2146
C
GLU
454
15.876
72.937
76.516
1.00
8.75

ATOM
2147
O
GLU
454
14.915
73.603
76.173
1.00
9.11

ATOM
2148
N
ARG
455
17.102
73.132
76.038
1.00
8.42

ATOM
2150
CA
ARG
455
17.381
74.148
75.013
1.00
9.20

ATOM
2151
CB
ARG
455
18.884
74.503
74.997
1.00
10.05

ATOM
2152
CG
ARG
455
19.347
75.201
76.209
1.00
12.72

ATOM
2153
CD
ARG
455
20.794
75.621
76.012
1.00
13.32

ATOM
2154
NE
ARG
455
20.862
76.749
75.073
1.00
12.24

ATOM
2156
CZ
ARG
455
21.999
77.383
74.764
1.00
11.80

ATOM
2157
NH1
ARG
455
23.161
76.974
75.279
1.00
6.86

ATOM
2160
NH2
ARG
455
21.932
78.547
74.123
1.00
7.34

ATOM
2163
C
ARG
455
17.062
73.632
73.619
1.00
9.77

ATOM
2164
O
ARG
455
17.047
74.409
72.682
1.00
9.32

ATOM
2165
N
GLY
456
16.814
72.318
73.483
1.00
8.29

ATOM
2167
CA
GLY
456
16.551
71.743
72.161
1.00
7.45

ATOM
2168
C
GLY
456
17.785
70.997
71.638
1.00
5.78

ATOM
2169
O
GLY
456
17.776
70.442
70.546
1.00
4.51

ATOM
2170
N
TYR
457
18.884
71.066
72.356
1.00
5.91

ATOM
2172
CA
TYR
457
20.077
70.333
71.918
1.00
5.76

ATOM
2173
CB
TYR
457
21.320
70.786
72.695
1.00
5.55

ATOM
2174
CG
TYR
457
21.816
72.215
72.470
1.00
4.70

ATOM
2175
CD1
TYR
457
21.368
72.999
71.395
1.00
4.74

ATOM
2176
CE1
TYR
457
21.910
74.291
71.166
1.00
5.80

ATOM
2177
CD2
TYR
457
22.798
72.744
73.300
1.00
9.15

ATOM
2178
CE2
TYR
457
23.348
73.999
73.075
1.00
7.40

ATOM
2179
CZ
TYR
457
22.905
74.770
72.012
1.00
6.58

ATOM
2180
OH
TYR
457
23.498
76.015
71.849
1.00
6.87

ATOM
2182
C
TYR
457
19.914
68.838
72.234
1.00
5.84

ATOM
2183
O
TYR
457
19.059
68.474
73.058
1.00
2.95

ATOM
2184
N
ARG
458
20.689
67.996
71.542
1.00
7.21

ATOM
2186
CA
ARG
458
20.741
66.581
71.849
1.00
5.55

ATOM
2187
CB
ARG
458
20.055
65.757
70.738
1.00
5.01

ATOM
2188
CG
ARG
458
18.511
65.956
70.669
1.00
3.95

ATOM
2189
CD
ARG
458
17.803
65.576
71.993
1.00
4.69

ATOM
2190
NE
ARG
458
16.318
65.689
71.959
1.00
4.48

ATOM
2192
CZ
ARG
458
15.581
66.711
72.411
1.00
8.02

ATOM
2193
NH1
ARG
458
16.148
67.790
72.966
1.00
9.83

ATOM
2196
NH2
ARG
458
14.256
66.681
72.293
1.00
6.51

ATOM
2199
C
ARG
458
22.222
66.237
71.976
1.00
6.38

ATOM
2200
O
ARG
458
23.090
67.126
71.790
1.00
5.47

ATOM
2201
N
MET
459
22.557
64.988
72.283
1.00
3.53

ATOM
2203
CA
MET
459
23.989
64.633
72.379
1.00
4.64

ATOM
2204
CB
MET
459
24.168
63.117
72.616
1.00
4.43

ATOM
2205
CG
MET
459
25.529
62.769
73.161
1.00
5.73

ATOM
2206
SD
MET
459
25.675
60.947
73.371
1.00
8.91

ATOM
2207
CE
MET
459
24.195
60.627
74.333
1.00
8.80

ATOM
2208
C
MET
459
24.762
64.997
71.127
1.00
4.68

ATOM
2209
O
MET
459
24.285
64.806
70.001
1.00
4.18

ATOM
2210
N
VAL
460
25.947
65.555
71.326
1.00
3.91

ATOM
2212
CA
VAL
460
26.849
65.922
70.239
1.00
6.53

ATOM
2213
CB
VAL
460
28.194
66.479
70.848
1.00
7.54

ATOM
2214
CG1
VAL
460
29.230
66.668
69.784
1.00
8.61

ATOM
2215
CG2
VAL
460
27.953
67.745
71.699
1.00
7.16

ATOM
2216
C
VAL
460
27.220
64.635
69.425
1.00
6.37

ATOM
2217
O
VAL
460
27.348
63.597
69.993
1.00
6.28

ATOM
2218
N
ARG
461
27.293
64.705
68.089
1.00
5.72

ATOM
2220
CA
ARG
461
27.713
63.538
67.294
1.00
8.25

ATOM
2221
CB
ARG
461
28.107
63.962
65.877
1.00
8.12

ATOM
2222
CG
ARG
461
26.973
64.465
65.084
1.00
7.53

ATOM
2223
CD
ARG
461
27.462
65.018
63.756
1.00
10.16

ATOM
2224
NE
ARG
461
26.283
65.256
62.928
1.00
7.37

ATOM
2226
CZ
ARG
461
25.641
66.421
62.865
1.00
8.20

ATOM
2227
NH1
ARG
461
26.053
67.488
63.601
1.00
7.00

ATOM
2230
NH2
ARG
461
24.632
66.538
62.011
1.00
3.52

ATOM
2233
C
ARG
461
28.937
62.826
67.834
1.00
9.83

ATOM
2234
O
ARG
461
29.988
63.453
68.008
1.00
8.35

ATOM
2235
N
PRO
462
28.823
61.513
68.167
1.00
10.04

ATOM
2236
CD
PRO
462
27.623
60.680
68.322
1.00
8.96

ATOM
2237
CA
PRO
462
30.016
60.825
68.694
1.00
11.37

ATOM
2238
CB
PRO
462
29.494
59.402
69.016
1.00
7.39

ATOM
2239
CG
PRO
462
28.069
59.631
69.369
1.00
8.81

ATOM
2240
C
PRO
462
31.052
60.732
67.606
1.00
12.74

ATOM
2241
O
PRO
462
30.740
60.793
66.416
1.00
10.85

ATOM
2242
N
ASP
463
32.300
60.581
68.029
1.00
17.47

ATOM
2244
CA
ASP
463
33.402
60.432
67.105
1.00
20.96

ATOM
2245
CB
ASP
463
34.736
60.286
67.870
1.00
25.18

ATOM
2246
CG
ASP
463
35.087
61.512
68.707
1.00
28.15

ATOM
2247
OD1
ASP
463
34.495
62.597
68.500
1.00
29.78

ATOM
2248
OD2
ASP
463
35.975
61.388
69.582
1.00
30.25

ATOM
2249
C
ASP
463
33.178
59.198
66.262
1.00
21.24

ATOM
2250
O
ASP
463
32.636
58.191
66.749
1.00
21.61

ATOM
2251
N
ASN
464
33.463
59.319
64.973
1.00
22.32

ATOM
2253
CA
ASN
464
33.301
58.206
64.051
1.00
23.87

ATOM
2254
CB
ASN
464
34.451
57.226
64.261
1.00
26.43

ATOM
2255
CG
ASN
464
35.782
57.834
63.850
1.00
28.16

ATOM
2256
OD1
ASN
464
36.029
58.025
62.660
1.00
32.70

ATOM
2257
ND2
ASN
464
36.591
58.236
64.820
1.00
29.64

ATOM
2260
C
ASN
464
31.918
57.522
64.034
1.00
22.09

ATOM
2261
O
ASN
464
31.774
56.284
63.968
1.00
22.34

ATOM
2262
N
CYS
465
30.885
58.347
64.139
1.00
18.35

ATOM
2264
CA
CYS
465
29.505
57.849
64.079
1.00
13.90

ATOM
2265
CB
CYS
465
28.656
58.478
65.196
1.00
12.88

ATOM
2266
SG
CYS
465
26.904
58.015
65.072
1.00
13.96

ATOM
2267
C
CYS
465
28.941
58.185
62.702
1.00
14.12

ATOM
2268
O
CYS
465
29.052
59.332
62.251
1.00
13.81

ATOM
2269
N
PRO
466
28.501
57.172
61.945
1.00
12.80

ATOM
2270
CD
PRO
466
28.509
55.743
62.333
1.00
13.81

ATOM
2271
CA
PRO
466
27.930
57.356
60.609
1.00
11.16

ATOM
2272
CB
PRO
466
27.467
55.945
60.245
1.00
12.22

ATOM
2273
CG
PRO
466
28.424
55.059
61.038
1.00
11.55

ATOM
2274
C
PRO
466
26.735
58.304
60.781
1.00
8.89

ATOM
2275
O
PRO
466
25.944
58.167
61.759
1.00
5.97

ATOM
2276
N
GLU
467
26.651
59.303
59.900
1.00
5.38

ATOM
2278
CA
GLU
467
25.556
60.286
60.003
1.00
5.74

ATOM
2279
CB
GLU
467
25.705
61.399
58.937
1.00
5.77

ATOM
2280
CG
GLU
467
24.667
62.547
59.108
1.00
7.30

ATOM
2281
CD
GLU
467
24.772
63.304
60.430
1.00
8.60

ATOM
2282
OE1
GLU
467
23.866
64.111
60.736
1.00
12.73

ATOM
2283
OE2
GLU
467
25.779
63.148
61.157
1.00
8.79

ATOM
2284
C
GLU
467
24.172
59.647
59.928
1.00
3.94

ATOM
2285
O
GLU
467
23.238
60.090
60.610
1.00
2.54

ATOM
2286
N
GLU
468
24.018
58.578
59.144
0.51
2.00

ATOM
2288
CA
GLU
468
22.731
57.898
59.098
0.51
2.00

ATOM
2289
CB
GLU
468
22.777
56.699
58.155
0.51
2.00

ATOM
2290
CG
GLU
468
22.728
57.056
56.720
0.51
2.00

ATOM
2291
CD
GLU
468
23.102
55.891
55.877
0.51
4.73

ATOM
2292
OE1
GLU
468
24.312
55.744
55.699
0.51
6.19

ATOM
2293
OE2
GLU
468
22.205
55.192
55.389
0.51
2.79

ATOM
2294
C
GLU
468
22.274
57.412
60.486
0.51
2.00

ATOM
2295
O
GLU
468
21.133
57.557
60.870
0.51
2.00

ATOM
2296
N
LEU
469
23.211
56.804
61.206
1.00
2.68

ATOM
2298
CA
LEU
469
22.926
56.312
62.561
1.00
3.75

ATOM
2299
CB
LEU
469
24.119
55.501
63.087
1.00
5.21

ATOM
2300
CG
LEU
469
23.928
54.801
64.441
1.00
4.76

ATOM
2301
CD1
LEU
469
22.855
53.731
64.304
1.00
6.81

ATOM
2302
CD2
LEU
469
25.248
54.097
64.824
1.00
5.46

ATOM
2303
C
LEU
469
22.636
57.484
63.504
1.00
3.44

ATOM
2304
O
LEU
469
21.727
57.436
64.356
1.00
5.45

ATOM
2305
N
TYR
470
23.416
58.563
63.369
1.00
5.07

ATOM
2307
CA
TYR
470
23.161
59.732
64.240
1.00
4.26

ATOM
2308
CB
TYR
470
24.186
60.877
63.983
1.00
4.94

ATOM
2309
CG
TYR
470
24.024
62.070
64.944
1.00
3.71

ATOM
2310
CD1
TYR
470
24.180
61.905
66.310
1.00
5.02

ATOM
2311
CE1
TYR
470
24.036
62.998
67.192
1.00
5.96

ATOM
2312
CD2
TYR
470
23.716
63.357
64.454
1.00
3.81

ATOM
2313
CE2
TYR
470
23.588
64.425
65.296
1.00
5.55

ATOM
2314
CZ
TYR
470
23.746
64.245
66.668
1.00
6.06

ATOM
2315
OH
TYR
470
23.642
65.311
67.523
1.00
9.89

ATOM
2317
C
TYR
470
21.744
60.251
64.004
1.00
4.76

ATOM
2318
O
TYR
470
21.031
60.618
64.942
1.00
6.27

ATOM
2319
N
GLN
471
21.310
60.291
62.739
1.00
4.89

ATOM
2321
CA
GLN
471
19.956
60.783
62.482
1.00
4.63

ATOM
2322
CB
GLN
471
19.774
61.108
61.000
1.00
4.81

ATOM
2323
CG
GLN
471
20.553
62.364
60.572
1.00
5.80

ATOM
2324
CD
GLN
471
20.172
63.619
61.382
1.00
8.94

ATOM
2325
OE1
GLN
471
18.992
63.860
61.704
1.00
6.43

ATOM
2326
NE2
GLN
471
21.189
64.395
61.770
1.00
7.01

ATOM
2329
C
GLN
471
18.877
59.834
63.002
1.00
5.92

ATOM
2330
O
GLN
471
17.741
60.243
63.289
1.00
5.03

ATOM
2331
N
LEU
472
19.203
58.537
63.023
1.00
4.53

ATOM
2333
CA
LEU
472
18.277
57.547
63.597
1.00
5.41

ATOM
2334
CB
LEU
472
18.793
56.135
63.322
1.00
5.33

ATOM
2335
CG
LEU
472
17.748
55.057
63.605
1.00
6.16

ATOM
2336
CD1
LEU
472
16.470
55.351
62.768
1.00
8.74

ATOM
2337
CD2
LEU
472
18.332
53.678
63.277
1.00
5.70

ATOM
2338
C
LEU
472
18.160
57.793
65.129
1.00
4.27

ATOM
2339
O
LEU
472
17.074
57.806
65.685
1.00
6.39

ATOM
2340
N
MET
473
19.293
58.078
65.774
1.00
6.34

ATOM
2342
CA
MET
473
19.332
58.428
67.193
1.00
6.70

ATOM
2343
CB
MET
473
20.756
58.809
67.612
1.00
6.82

ATOM
2344
CG
MET
473
21.759
57.673
67.661
1.00
9.25

ATOM
2345
SD
MET
473
23.425
58.348
67.650
1.00
6.04

ATOM
2346
CE
MET
473
24.397
56.872
67.411
1.00
7.69

ATOM
2347
C
MET
473
18.452
59.648
67.459
1.00
4.98

ATOM
2348
O
MET
473
17.673
59.676
68.417
1.00
5.18

ATOM
2349
N
ARG
474
18.588
60.666
66.603
1.00
5.63

ATOM
2351
CA
ARG
474
17.775
61.881
66.772
1.00
6.92

ATOM
2352
CB
ARG
474
18.084
62.926
65.676
1.00
9.55

ATOM
2353
CG
ARG
474
19.539
63.314
65.490
1.00
11.83

ATOM
2354
CD
ARG
474
20.051
64.228
66.556
1.00
18.94

ATOM
2355
NE
ARG
474
19.308
65.498
66.637
1.00
20.37

ATOM
2357
CZ
ARG
474
19.840
66.644
67.043
1.00
17.59

ATOM
2358
NH1
ARG
474
21.145
66.711
67.354
1.00
12.90

ATOM
2361
NH2
ARG
474
19.018
67.646
67.381
1.00
17.79

ATOM
2364
C
ARG
474
16.280
61.538
66.722
1.00
6.79

ATOM
2365
O
ARG
474
15.492
62.135
67.418
1.00
5.98

ATOM
2366
N
LEU
475
15.888
60.572
65.882
1.00
4.98

ATOM
2368
CA
LEU
475
14.465
60.178
65.878
1.00
7.49

ATOM
2369
CB
LEU
475
14.167
59.090
64.817
1.00
8.16

ATOM
2370
CG
LEU
475
14.426
59.426
63.359
1.00
8.88

ATOM
2371
CD1
LEU
475
13.760
58.322
62.500
1.00
10.43

ATOM
2372
CD2
LEU
475
13.781
60.775
63.021
1.00
11.32

ATOM
2373
C
LEU
475
14.089
59.644
67.241
1.00
4.96

ATOM
2374
O
LEU
475
13.041
59.958
67.784
1.00
6.19

ATOM
2375
N
CYS
476
14.971
58.818
67.822
1.00
5.35

ATOM
2377
CA
CYS
476
14.706
58.295
69.168
1.00
6.09

ATOM
2378
CB
CYS
476
15.836
57.340
69.601
1.00
4.98

ATOM
2379
SG
CYS
476
15.937
55.886
68.514
1.00
7.06

ATOM
2380
C
CYS
476
14.576
59.387
70.217
1.00
5.88

ATOM
2381
O
CYS
476
13.911
59.208
71.247
1.00
4.37

ATOM
2382
N
TRP
477
15.169
60.555
69.925
1.00
6.18

ATOM
2384
CA
TRP
477
15.140
61.635
70.878
1.00
7.04

ATOM
2385
CB
TRP
477
16.555
62.215
71.094
1.00
5.80

ATOM
2386
CG
TRP
477
17.609
61.203
71.440
1.00
6.60

ATOM
2387
CD2
TRP
477
18.978
61.225
71.020
1.00
6.30

ATOM
2388
CE2
TRP
477
19.611
60.098
71.597
1.00
5.65

ATOM
2389
CE3
TRP
477
19.732
62.080
70.200
1.00
4.69

ATOM
2390
CD1
TRP
477
17.470
60.096
72.238
1.00
4.40

ATOM
2391
NE1
TRP
477
18.673
59.442
72.341
1.00
6.25

ATOM
2393
CZ2
TRP
477
20.972
59.816
71.411
1.00
7.14

ATOM
2394
CZ3
TRP
477
21.096
61.802
70.012
1.00
6.66

ATOM
2395
CH2
TRP
477
21.690
60.666
70.613
1.00
5.75

ATOM
2396
C
TRP
477
14.165
62.757
70.546
1.00
8.41

ATOM
2397
O
TRP
477
14.359
63.894
70.986
1.00
7.82

ATOM
2398
N
LYS
478
13.120
62.452
69.775
1.00
10.81

ATOM
2400
CA
LYS
478
12.105
63.471
69.495
1.00
11.81

ATOM
2401
CB
LYS
478
11.058
62.957
68.486
1.00
13.76

ATOM
2402
CG
LYS
478
11.632
63.105
67.055
1.00
15.00

ATOM
2403
CD
LYS
478
10.682
62.928
65.943
1.00
20.43

ATOM
2404
CE
LYS
478
11.383
63.220
64.623
1.00
19.86

ATOM
2405
NZ
LYS
478
11.498
64.682
64.302
1.00
24.89

ATOM
2409
C
LYS
478
11.483
63.966
70.785
1.00
10.75

ATOM
2410
O
LYS
478
11.411
63.245
71.774
1.00
10.57

ATOM
2411
N
GLU
479
11.136
65.245
70.830
1.00
11.76

ATOM
2413
CA
GLU
479
10.545
65.821
72.044
1.00
13.93

ATOM
2414
CB
GLU
479
10.230
67.310
71.834
1.00
16.32

ATOM
2415
CG
GLU
479
9.745
67.956
73.108
1.00
22.00

ATOM
2416
CD
GLU
479
10.869
68.064
74.118
1.00
26.69

ATOM
2417
OE1
GLU
479
12.055
68.130
73.685
1.00
28.93

ATOM
2418
OE2
GLU
479
10.589
68.082
75.338
1.00
29.48

ATOM
2419
C
GLU
479
9.272
65.117
72.511
1.00
12.78

ATOM
2420
O
GLU
479
9.128
64.715
73.663
1.00
11.58

ATOM
2421
N
ARG
480
8.306
65.011
71.606
1.00
13.56

ATOM
2423
CA
ARG
480
7.068
64.316
71.953
1.00
14.11

ATOM
2424
CB
ARG
480
5.920
64.768
71.023
1.00
16.76

ATOM
2425
CG
ARG
480
5.682
66.296
71.022
1.00
20.08

ATOM
2426
CD
ARG
480
4.356
66.616
70.378
1.00
25.32

ATOM
2427
NE
ARG
480
4.264
65.997
69.049
1.00
29.79

ATOM
2429
CZ
ARG
480
3.132
65.818
68.372
1.00
30.49

ATOM
2430
NH1
ARG
480
1.981
66.214
68.906
1.00
33.45

ATOM
2433
NH2
ARG
480
3.155
65.294
67.145
1.00
29.91

ATOM
2436
C
ARG
480
7.226
62.786
71.838
1.00
11.61

ATOM
2437
O
ARG
480
7.665
62.280
70.813
1.00
9.25

ATOM
2438
N
PRO
481
6.879
62.051
72.902
1.00
11.62

ATOM
2439
CD
PRO
481
6.473
62.568
74.214
1.00
11.47

ATOM
2440
CA
PRO
481
6.972
60.581
72.911
1.00
11.78

ATOM
2441
CB
PRO
481
6.221
60.207
74.172
1.00
11.23

ATOM
2442
CG
PRO
481
6.615
61.347
75.110
1.00
14.23

ATOM
2443
C
PRO
481
6.337
59.969
71.667
1.00
12.23

ATOM
2444
O
PRO
481
6.947
59.124
71.007
1.00
11.31

ATOM
2445
N
GLU
482
5.175
60.488
71.269
1.00
12.13

ATOM
2447
CA
GLU
482
4.447
59.979
70.091
1.00
12.86

ATOM
2448
CB
GLU
482
3.013
60.577
70.013
1.00
15.98

ATOM
2449
CG
GLU
482
2.982
62.087
70.078
1.00
20.93

ATOM
2450
CD
GLU
482
2.561
62.602
71.463
1.00
25.76

ATOM
2451
OE1
GLU
482
1.399
63.103
71.539
1.00
30.37

ATOM
2452
OE2
GLU
482
3.341
62.508
72.459
1.00
19.57

ATOM
2453
C
GLU
482
5.142
60.162
68.762
1.00
13.01

ATOM
2454
O
GLU
482
4.803
59.494
67.785
1.00
12.54

ATOM
2455
N
ASP
483
6.112
61.079
68.700
1.00
13.69

ATOM
2457
CA
ASP
483
6.858
61.286
67.463
1.00
11.91

ATOM
2458
CB
ASP
483
7.359
62.742
67.336
1.00
12.80

ATOM
2459
CG
ASP
483
6.242
63.738
67.122
1.00
16.80

ATOM
2460
OD1
ASP
483
5.167
63.357
66.598
1.00
14.10

ATOM
2461
OD2
ASP
483
6.434
64.909
67.523
1.00
18.37

ATOM
2462
C
ASP
483
8.040
60.333
67.313
1.00
9.87

ATOM
2463
O
ASP
483
8.668
60.268
66.246
1.00
11.58

ATOM
2464
N
ARG
484
8.393
59.643
68.401
1.00
8.94

ATOM
2466
CA
ARG
484
9.491
58.681
68.355
1.00
6.66

ATOM
2467
CB
ARG
484
9.964
58.350
69.776
1.00
7.83

ATOM
2468
CG
ARG
484
10.257
59.553
70.614
1.00
7.05

ATOM
2469
CD
ARG
484
10.649
59.211
72.052
1.00
6.98

ATOM
2470
NE
ARG
484
10.804
60.448
72.789
1.00
4.90

ATOM
2472
CZ
ARG
484
10.601
60.560
74.100
1.00
7.72

ATOM
2473
NH1
ARG
484
10.308
59.488
74.824
1.00
5.26

ATOM
2476
NH2
ARG
484
10.480
61.778
74.664
1.00
7.38

ATOM
2479
C
ARG
484
9.012
57.428
67.601
1.00
8.43

ATOM
2480
O
ARG
484
7.859
57.041
67.691
1.00
7.27

ATOM
2481
N
PRO
485
9.904
56.794
66.826
1.00
7.08

ATOM
2482
CD
PRO
485
11.361
57.012
66.755
1.00
5.37

ATOM
2483
CA
PRO
485
9.486
55.624
66.074
1.00
8.48

ATOM
2484
CB
PRO
485
10.647
55.404
65.103
1.00
6.52

ATOM
2485
CG
PRO
485
11.831
55.885
65.885
1.00
8.65

ATOM
2486
C
PRO
485
9.252
54.418
66.954
1.00
7.59

ATOM
2487
O
PRO
485
9.514
54.440
68.161
1.00
4.04

ATOM
2488
N
THR
486
8.685
53.379
66.341
1.00
6.13

ATOM
2490
CA
THR
486
8.509
52.125
67.031
1.00
6.49

ATOM
2491
CB
THR
486
7.424
51.227
66.336
1.00
7.20

ATOM
2492
OG1
THR
486
7.836
50.985
64.982
1.00
5.76

ATOM
2494
CG2
THR
486
6.033
51.934
66.341
1.00
9.07

ATOM
2495
C
THR
486
9.796
51.346
66.939
1.00
6.99

ATOM
2496
O
THR
486
10.661
51.612
66.071
1.00
5.95

ATOM
2497
N
PHE
487
9.895
50.303
67.768
1.00
7.41

ATOM
2499
CA
PHE
487
11.051
49.435
67.728
1.00
7.05

ATOM
2500
CB
PHE
487
11.099
48.583
69.028
1.00
5.13

ATOM
2501
CG
PHE
487
11.732
49.287
70.144
1.00
2.90

ATOM
2502
CD1
PHE
487
13.112
49.564
70.101
1.00
3.27

ATOM
2503
CD2
PHE
487
10.990
49.718
71.250
1.00
2.00

ATOM
2504
CE1
PHE
487
13.721
50.242
71.155
1.00
2.00

ATOM
2505
CE2
PHE
487
11.570
50.374
72.264
1.00
2.00

ATOM
2506
CZ
PHE
487
12.973
50.658
72.235
1.00
2.70

ATOM
2507
C
PHE
487
11.039
48.600
66.477
1.00
6.52

ATOM
2508
O
PHE
487
12.095
48.253
65.952
1.00
5.26

ATOM
2509
N
ASP
488
9.835
48.254
65.986
1.00
6.84

ATOM
2511
CA
ASP
488
9.791
47.504
64.736
1.00
10.14

ATOM
2512
CB
ASP
488
8.379
46.948
64.417
1.00
13.68

ATOM
2513
CG
ASP
488
8.419
45.877
63.300
1.00
18.95

ATOM
2514
OD1
ASP
488
9.060
44.814
63.483
1.00
21.79

ATOM
2515
OD2
ASP
488
7.859
46.115
62.225
1.00
23.85

ATOM
2516
C
ASP
488
10.344
48.378
63.576
1.00
8.80

ATOM
2517
O
ASP
488
11.000
47.882
62.677
1.00
9.13

ATOM
2518
N
TYR
489
10.065
49.681
63.611
1.00
8.36

ATOM
2520
CA
TYR
489
10.648
50.587
62.606
1.00
7.68

ATOM
2521
CB
TYR
489
10.053
52.001
62.730
1.00
7.51

ATOM
2522
CG
TYR
489
10.712
53.012
61.813
1.00
9.26

ATOM
2523
CD1
TYR
489
10.269
53.190
60.505
1.00
9.70

ATOM
2524
CE1
TYR
489
10.858
54.146
59.666
1.00
10.43

ATOM
2525
CD2
TYR
489
11.778
53.801
62.255
1.00
10.00

ATOM
2526
CE2
TYR
489
12.382
54.748
61.421
1.00
11.07

ATOM
2527
CZ
TYR
489
11.922
54.913
60.122
1.00
11.40

ATOM
2528
OH
TYR
489
12.535
55.819
59.272
1.00
9.64

ATOM
2530
C
TYR
489
12.188
50.652
62.763
1.00
5.72

ATOM
2531
O
TYR
489
12.926
50.492
61.825
1.00
7.93

ATOM
2532
N
LEU
490
12.675
50.858
63.992
1.00
5.65

ATOM
2534
CA
LEU
490
14.116
50.877
64.228
1.00
4.64

ATOM
2535
CB
LEU
490
14.377
51.126
65.726
1.00
5.14

ATOM
2536
CG
LEU
490
13.994
52.554
66.205
1.00
3.68

ATOM
2537
CD1
LEU
490
13.894
52.619
67.761
1.00
6.17

ATOM
2538
CD2
LEU
490
15.121
53.481
65.721
1.00
5.67

ATOM
2539
C
LEU
490
14.795
49.575
63.763
1.00
6.45

ATOM
2540
O
LEU
490
15.853
49.569
63.139
1.00
4.40

ATOM
2541
N
ARG
491
14.150
48.438
64.049
1.00
6.90

ATOM
2543
CA
ARG
491
14.713
47.172
63.614
1.00
6.24

ATOM
2544
CB
ARG
491
13.807
46.024
64.085
1.00
7.39

ATOM
2545
CG
ARG
491
14.249
44.589
63.595
1.00
13.33

ATOM
2546
CD
ARG
491
13.006
43.783
63.232
1.00
16.63

ATOM
2547
NE
ARG
491
12.852
43.719
61.777
1.00
23.18

ATOM
2549
CZ
ARG
491
11.840
44.176
61.047
1.00
22.69

ATOM
2550
NH1
ARG
491
10.783
44.798
61.560
1.00
23.32

ATOM
2553
NH2
ARG
491
11.857
43.907
59.766
1.00
26.41

ATOM
2556
C
ARG
491
14.845
47.138
62.078
1.00
6.15

ATOM
2557
O
ARG
491
15.887
46.767
61.512
1.00
8.27

ATOM
2558
N
SER
492
13.781
47.533
61.401
0.71
5.72

ATOM
2560
CA
SER
492
13.771
47.514
59.941
0.71
5.48

ATOM
2561
CB
SER
492
12.379
47.952
59.447
0.71
7.19

ATOM
2562
OG
SER
492
12.296
47.757
58.055
0.71
11.62

ATOM
2564
C
SER
492
14.867
48.388
59.320
0.71
4.57

ATOM
2565
O
SER
492
15.580
47.991
58.402
0.71
2.00

ATOM
2566
N
VAL
493
14.996
49.609
59.845
1.00
5.21

ATOM
2568
CA
VAL
493
16.013
50.529
59.366
1.00
4.52

ATOM
2569
CB
VAL
493
15.809
51.921
60.073
1.00
5.78

ATOM
2570
CG1
VAL
493
16.988
52.876
59.825
1.00
5.45

ATOM
2571
CG2
VAL
493
14.535
52.548
59.627
1.00
7.49

ATOM
2572
C
VAL
493
17.436
50.006
59.632
1.00
3.86

ATOM
2573
O
VAL
493
18.299
50.059
58.791
1.00
5.74

ATOM
2574
N
LEU
494
17.693
49.544
60.857
1.00
4.14

ATOM
2576
CA
LEU
494
19.040
49.061
61.174
1.00
6.78

ATOM
2577
CB
LEU
494
19.186
48.810
62.671
1.00
4.46

ATOM
2578
CG
LEU
494
19.141
50.121
63.485
1.00
4.63

ATOM
2579
CD1
LEU
494
18.661
49.807
64.958
1.00
4.58

ATOM
2580
CD2
LEU
494
20.541
50.809
63.475
1.00
2.17

ATOM
2581
C
LEU
494
19.484
47.834
60.330
1.00
7.37

ATOM
2582
O
LEU
494
20.684
47.665
60.050
1.00
6.93

ATOM
2583
N
GLU
495
18.503
47.015
59.941
1.00
7.28

ATOM
2585
CA
GLU
495
18.770
45.865
59.055
1.00
10.08

ATOM
2586
GB
GLU
495
17.552
44.917
59.002
1.00
9.68

ATOM
2587
CG
GLU
495
17.314
44.174
60.318
1.00
12.01

ATOM
2588
CD
GLU
495
16.180
43.152
60.257
1.00
18.21

ATOM
2589
OE1
GLU
495
15.568
42.977
59.163
1.00
17.97

ATOM
2590
OE2
GLU
495
15.881
42.524
61.313
1.00
19.73

ATOM
2591
C
GLU
495
19.154
46.382
57.647
1.00
7.94

ATOM
2592
O
GLU
495
20.078
45.902
57.002
1.00
8.27

ATOM
2593
N
ASP
496
18.494
47.446
57.222
1.00
9.27

ATOM
2595
CA
ASP
496
18.840
48.047
55.932
1.00
9.40

ATOM
2596
CB
ASP
496
17.801
49.109
55.543
1.00
9.76

ATOM
2597
CG
ASP
496
16.529
48.508
55.005
1.00
9.08

ATOM
2598
OD1
ASP
496
16.546
47.317
54.624
1.00
13.10

ATOM
2599
OD2
ASP
496
15.506
49.203
54.934
1.00
8.40

ATOM
2600
C
ASP
496
20.231
48.655
56.023
1.00
9.38

ATOM
2601
O
ASP
496
21.073
48.442
55.132
1.00
9.97

ATOM
2602
N
PHE
497
20.533
49.304
57.151
1.00
9.58

ATOM
2604
CA
PHE
497
21.848
49.897
57.349
1.00
10.82

ATOM
2605
CB
PHE
497
21.947
50.567
58.730
1.00
10.33

ATOM
2606
CG
PHE
497
21.261
51.910
58.846
1.00
8.98

ATOM
2607
CD1
PHE
497
20.500
52.438
57.804
1.00
9.24

ATOM
2608
CD2
PHE
497
21.440
52.673
59.987
1.00
8.40

ATOM
2609
CE1
PHE
497
19.829
53.667
57.950
1.00
9.15

ATOM
2610
CE2
PHE
497
20.777
53.910
60.153
1.00
9.96

ATOM
2611
CZ
PHE
497
20.007
54.428
59.111
1.00
8.87

ATOM
2612
C
PHE
497
22.950
48.816
57.273
1.00
12.89

ATOM
2613
O
PHE
497
23.970
48.965
56.612
1.00
11.96

ATOM
2614
N
PHE
498
22.697
47.728
57.996
1.00
14.97

ATOM
2616
CA
PHE
498
23.598
46.574
58.066
1.00
20.02

ATOM
2617
CB
PHE
498
23.036
45.591
59.157
1.00
20.25

ATOM
2618
CG
PHE
498
23.576
44.196
59.110
1.00
22.23

ATOM
2619
CD1
PHE
498
24.928
43.940
59.094
1.00
22.93

ATOM
2620
CD2
PHE
498
22.695
43.118
59.149
1.00
26.01

ATOM
2621
CE1
PHE
498
25.397
42.624
59.110
1.00
24.58

ATOM
2622
CE2
PHE
498
23.147
41.813
59.165
1.00
24.88

ATOM
2623
CZ
PHE
498
24.497
41.560
59.147
1.00
24.56

ATOM
2624
C
PHE
498
23.762
45.903
56.700
1.00
21.85

ATOM
2625
O
PHE
498
24.864
45.729
56.220
1.00
22.72

ATOM
2626
N
THR
499
22.649
45.632
56.036
1.00
24.16

ATOM
2628
CA
THR
499
22.697
44.965
54.747
1.00
28.58

ATOM
2629
CB
THR
499
21.426
44.126
54.498
1.00
27.62

ATOM
2630
OG1
THR
499
20.310
44.997
54.393
1.00
29.10

ATOM
2632
CG2
THR
499
21.167
43.190
55.659
1.00
29.27

ATOM
2633
C
THR
499
22.932
45.913
53.594
1.00
32.13

ATOM
2634
O
THR
499
22.396
45.726
52.492
1.00
33.33

ATOM
2635
N
ALA
500
23.726
46.937
53.900
1.00
33.44

ATOM
2637
CA
ALA
500
24.182
48.016
53.028
1.00
35.24

ATOM
2638
CB
ALA
500
23.417
49.327
53.341
1.00
34.45

ATOM
2639
C
ALA
500
25.672
48.223
53.293
1.00
36.18

ATOM
2640
O
ALA
500
26.454
48.448
52.368
1.00
37.53

ATOM
2641
N
THR
501
26.062
48.167
54.575
1.00
35.49

ATOM
2643
CA
THR
501
27.477
48.285
54.968
1.00
35.21

ATOM
2644
CB
THR
501
27.660
48.803
56.434
1.00
34.98

ATOM
2645
OG1
THR
501
27.065
47.864
57.335
1.00
34.15

ATOM
2647
CG2
THR
501
27.027
50.190
56.633
1.00
33.83

ATOM
2648
C
THR
501
28.184
46.918
54.862
1.00
36.81

ATOM
2649
O
THR
501
27.963
46.234
53.833
1.00
36.26

ATOM
2650
OT
THR
501
28.927
46.526
55.809
1.00
37.49

ATOM
2651
OH2
TIP
1
19.311
61.451
77.517
1.00
9.51

ATOM
2654
OH2
TIP
2
21.927
30.146
74.495
1.00
10.87

ATOM
2657
OH2
TIP
3
16.683
33.287
74.355
1.00
9.01

ATOM
2660
OH2
TIP
4
39.739
38.338
73.029
1.00
16.54

ATOM
2663
OH2
TIP
5
14.739
52.071
79.171
1.00
10.02

ATOM
2666
OH2
TIP
6
20.566
63.204
73.067
1.00
10.44

ATOM
2669
OH2
TIP
7
26.999
32.025
74.946
1.00
11.15

ATOM
2672
OH2
TIP
8
24.523
79.325
73.707
1.00
12.34

ATOM
2675
OH2
TIP
9
26.415
24.060
78.113
1.00
11.63

ATOM
2678
OH2
TIP
10
25.241
50.846
79.942
1.00
4.37

ATOM
2681
OH2
TIP
11
23.356
20.960
77.886
1.00
10.04

ATOM
2684
OH2
TIP
12
26.225
73.383
70.539
1.00
11.22

ATOM
2687
OH2
TIP
13
13.101
71.939
72.454
1.00
15.78

ATOM
2690
OH2
TIP
14
28.040
56.696
74.337
1.00
10.46

ATOM
2693
OH2
TIP
15
13.599
34.317
76.278
1.00
11.77

ATOM
2696
OH2
TIP
16
14.407
25.394
81.101
1.00
12.52

ATOM
2699
OH2
TIP
17
22.531
19.149
81.866
1.00
11.75

ATOM
2702
OH2
TIP
18
3.993
51.722
76.108
1.00
12.20

ATOM
2705
OH2
TIP
19
33.188
40.683
77.485
1.00
16.97

ATOM
2708
OH2
TIP
20
30.131
18.456
80.658
1.00
11.69

ATOM
2711
OH2
TIP
21
28.146
53.808
78.726
1.00
10.89

ATOM
2714
OH2
TIP
22
5.966
57.823
65.467
1.00
25.51

ATOM
2717
OH2
TIP
23
4.770
47.784
75.121
1.00
11.19

ATOM
2720
OH2
TIP
24
29.430
62.780
71.874
1.00
12.30

ATOM
2723
OH2
TIP
25
23.569
29.609
76.723
1.00
15.79

ATOM
2726
OH2
TIP
26
19.387
28.532
78.780
1.00
11.30

ATOM
2729
OH2
TIP
27
30.446
41.985
81.415
1.00
12.69

ATOM
2732
OH2
TIP
28
26.750
65.828
74.084
1.00
12.12

ATOM
2735
OH2
TIP
29
16.554
62.515
62.377
1.00
12.02

ATOM
2738
OH2
TIP
30
4.250
54.927
67.119
1.00
11.65

ATOM
2741
OH2
TIP
31
11.960
33.677
79.416
1.00
11.53

ATOM
2744
OH2
TIP
32
17.879
62.427
79.648
1.00
12.18

ATOM
2747
OH2
TIP
33
25.759
21.951
76.518
1.00
11.64

ATOM
2750
OH2
TIP
34
4.279
16.551
94.709
1.00
8.69

ATOM
2753
OH2
TIP
35
43.046
45.255
71.148
1.00
17.41

ATOM
2756
OH2
TIP
36
33.552
42.873
62.416
1.00
12.80

ATOM
2759
OH2
TIP
37
24.371
69.370
70.424
1.00
12.19

ATOM
2762
OH2
TIP
38
8.595
65.929
68.815
1.00
10.23

ATOM
2765
OH2
TIP
39
16.431
52.748
84.453
1.00
13.16

ATOM
2768
OH2
TIP
40
26.298
70.962
71.663
1.00
16.76

ATOM
2771
OH2
TIP
41
40.273
44.193
77.523
1.00
18.95

ATOM
2774
OH2
TIP
42
11.838
33.972
69.173
1.00
15.53

ATOM
2777
OH2
TIP
43
1.764
39.205
79.803
1.00
29.10

ATOM
2780
OH2
TIP
44
13.713
56.017
79.376
1.00
14.52

ATOM
2783
OH2
TIP
45
6.708
45.582
67.704
1.00
11.88

ATOM
2786
OH2
TIP
46
17.978
38.720
82.589
1.00
19.42

ATOM
2789
OH2
TIP
47
20.013
71.383
84.993
1.00
19.83

ATOM
2792
OH2
TIP
48
23.308
59.317
84.264
1.00
13.60

ATOM
2795
OH2
TIP
49
17.831
34.267
99.574
1.00
23.35

ATOM
2798
OH2
TIP
50
15.163
19.433
87.833
1.00
14.39

ATOM
2801
OH2
TIP
51
36.528
39.376
74.325
1.00
20.47

ATOM
2804
OH2
TIP
52
30.957
70.019
72.459
1.00
31.69

ATOM
2807
OH2
TIP
53
22.787
58.814
87.531
1.00
33.78

ATOM
2810
OH2
TIP
54
3.052
57.417
68.084
1.00
19.58

ATOM
2813
OH2
TIP
55
13.253
23.640
94.461
1.00
19.36

ATOM
2816
OH2
TIP
56
35.613
44.620
79.222
1.00
27.49

ATOM
2819
OH2
TIP
57
26.527
64.552
87.243
1.00
23.67

ATOM
2822
OH2
TIP
58
28.903
71.148
70.501
1.00
17.76

ATOM
2825
OH2
TIP
59
29.760
58.827
74.516
1.00
15.12

ATOM
2828
OH2
TIP
60
43.367
40.547
77.280
1.00
18.72

ATOM
2831
OH2
TIP
61
15.982
75.980
77.993
1.00
24.23

ATOM
2834
OH2
TIP
62
32.897
34.167
71.680
1.00
27.51

ATOM
2837
OH2
TIP
63
6.623
58.163
77.247
1.00
19.01

ATOM
2840
OH2
TIP
64
30.113
60.394
72.292
1.00
15.41

ATOM
2843
OH2
TIP
65
3.586
40.599
83.831
1.00
30.72

ATOM
2846
OH2
TIP
66
27.441
51.105
81.647
1.00
19.30

ATOM
2849
OH2
TIP
67
24.529
67.677
74.244
1.00
16.22

ATOM
2852
OH2
TIP
68
19.038
52.615
83.053
1.00
24.52

ATOM
2855
OH2
TIP
69
25.114
31.789
71.057
1.00
23.79

ATOM
2858
OH2
TIP
70
9.969
59.436
64.059
1.00
17.72

ATOM
2861
OH2
TIP
71
29.504
66.330
74.969
1.00
18.42

ATOM
2864
OH2
TIP
72
6.497
52.369
69.874
1.00
12.22

ATOM
2867
OH2
TIP
73
14.390
22.955
83.276
1.00
34.15

ATOM
2870
OH2
TIP
74
27.616
25.173
94.161
1.00
19.72

ATOM
2873
OH2
TIP
75
−1.474
21.109
94.026
1.00
16.84

ATOM
2876
OH2
TIP
76
7.073
27.726
99.566
1.00
29.78

ATOM
2879
OH2
TIP
77
3.184
17.629
92.263
1.00
14.43

ATOM
2882
OH2
TIP
78
10.524
41.239
67.027
1.00
18.23

ATOM
2885
OH2
TIP
79
13.981
69.635
73.583
1.00
19.87

ATOM
2888
OH2
TIP
80
15.009
39.727
90.769
1.00
19.18

ATOM
2891
OH2
TIP
81
17.180
29.359
79.794
1.00
13.29

ATOM
2894
OH2
TIP
82
8.570
33.844
71.005
1.00
30.33

ATOM
2897
OH2
TIP
83
27.624
20.321
77.495
1.00
21.60

ATOM
2900
OH2
TIP
84
14.470
25.077
74.515
1.00
22.43

ATOM
2903
OH2
TIP
85
15.658
69.961
86.496
1.00
33.81

ATOM
2906
OH2
TIP
86
4.347
43.749
85.189
1.00
18.89

ATOM
2909
OH2
TIP
87
13.646
22.495
79.270
1.00
19.63

ATOM
2912
OH2
TIP
88
34.351
49.689
60.577
1.00
22.73

ATOM
2915
OH2
TIP
89
4.570
27.575
95.849
1.00
23.49

ATOM
2918
OH2
TIP
90
14.488
65.973
82.024
1.00
33.95

ATOM
2921
OH2
TIP
91
14.199
45.984
83.667
1.00
9.67

ATOM
2924
OH2
TIP
92
12.650
36.289
79.191
1.00
28.99

ATOM
2927
OH2
TIP
93
7.704
54.375
63.754
1.00
14.74

ATOM
2930
OH2
TIP
94
41.632
44.586
69.191
1.00
13.30

ATOM
2933
OH2
TIP
95
22.332
28.550
79.220
1.00
11.35

ATOM
2936
OH2
TIP
96
3.508
56.701
74.135
1.00
40.43

ATOM
2939
OH2
TIP
97
13.230
31.893
74.970
1.00
14.29

ATOM
2942
OH2
TIP
98
30.226
70.647
76.992
1.00
36.97

ATOM
2945
OH2
TIP
99
30.660
29.412
77.031
1.00
30.61

ATOM
2948
OH2
TIP
100
3.867
29.346
100.830
1.00
35.05

ATOM
2951
OH2
TIP
101
3.305
31.423
85.206
1.00
42.40

ATOM
2954
OH2
TIP
102
19.769
33.131
97.641
1.00
34.70

ATOM
2957
OH2
TIP
103
32.525
60.209
71.096
1.00
26.31

ATOM
2960
OH2
TIP
104
14.385
18.965
81.633
1.00
39.40

ATOM
2963
OH2
TIP
105
35.303
37.590
69.165
1.00
47.36

ATOM
2966
OH2
TIP
106
12.150
44.315
98.941
1.00
27.18

ATOM
2969
OH2
TIP
107
31.404
65.727
72.463
1.00
34.79

ATOM
2972
OH2
TIP
108
1.407
57.920
64.929
1.00
48.77

ATOM
2975
OH2
TIP
109
9.310
40.098
102.788
1.00
23.64

ATOM
2978
OH2
TIP
110
−0.848
51.009
82.212
1.00
38.03

ATOM
2981
OH2
TIP
111
13.086
42.678
102.403
1.00
39.17

ATOM
2984
OH2
TIP
112
1.621
52.914
87.041
1.00
27.63

ATOM
2987
OH2
TIP
113
10.616
25.358
97.769
1.00
46.48

ATOM
2990
OH2
TIP
114
2.753
32.296
80.523
1.00
54.81

ATOM
2993
OH2
TIP
115
19.151
70.156
86.599
1.00
22.62

ATOM
2996
OH2
TIP
116
3.297
33.113
89.038
1.00
44.00

ATOM
2999
OH2
TIP
117
12.148
21.276
94.594
1.00
30.07

ATOM
3002
OH2
TIP
118
9.743
70.112
82.946
1.00
25.91

ATOM
3005
OH2
TIP
119
43.117
37.524
68.875
1.00
37.83

ATOM
3008
OH2
TIP
120
22.806
32.177
72.420
1.00
27.17

ATOM
3011
OH2
TIP
121
12.282
70.067
76.126
1.00
45.70

ATOM
3014
OH2
TIP
122
−0.783
32.259
88.769
1.00
33.61

ATOM
3017
OH2
TIP
123
32.388
39.732
89.901
1.00
32.87

ATOM
3020
OH2
TIP
124
7.556
27.635
91.724
1.00
31.46

ATOM
3023
OH2
TIP
125
4.664
63.106
77.282
1.00
41.06

ATOM
3026
OH2
TIP
126
7.065
70.330
72.529
1.00
49.77

ATOM
3029
OH2
TIP
127
10.158
28.414
102.841
1.00
48.00

ATOM
3032
OH2
TIP
128
17.158
52.424
87.288
1.00
19.66

ATOM
3035
OH2
TIP
129
30.654
73.854
75.647
1.00
44.45

ATOM
3038
OH2
TIP
130
8.181
21.129
91.405
1.00
19.36

ATOM
3041
OH2
TIP
131
30.265
26.627
76.393
1.00
44.63

ATOM
3044
OH2
TIP
132
1.404
36.670
96.617
1.00
37.69

ATOM
3047
OH2
TIP
133
27.398
58.917
84.327
1.00
36.32

ATOM
3050
OH2
TIP
134
26.579
75.000
74.442
1.00
23.63

ATOM
3053
OH2
TIP
135
4.864
37.496
69.248
1.00
51.76

ATOM
3056
OH2
TIP
136
38.759
60.728
66.988
1.00
46.94

ATOM
3059
OH2
TIP
137
7.041
27.787
102.352
1.00
31.69

ATOM
3062
OH2
TIP
138
1.044
56.406
73.837
1.00
54.98

ATOM
3065
OH2
TIP
139
0.020
59.351
68.080
1.00
43.88

ATOM
3068
OH2
TIP
140
24.025
74.725
76.829
1.00
25.03

ATOM
3071
OH2
TIP
141
24.528
53.450
56.345
1.00
40.36

ATOM
3074
OH2
TIP
142
32.470
40.634
63.102
1.00
43.71

ATOM
3077
OH2
TIP
143
35.837
41.876
83.267
1.00
42.17

ATOM
3080
OH2
TIP
144
13.772
74.524
73.842
1.00
21.66

ATOM
3083
OH2
TIP
145
11.507
59.640
87.674
1.00
29.61

ATOM
3086
OH2
TIP
146
35.527
33.428
69.247
1.00
55.37

ATOM
3089
OH2
TIP
147
−1.325
20.750
100.326
1.00
20.28

ATOM
3092
OH2
TIP
148
8.007
41.733
67.424
1.00
42.05

ATOM
3095
OH2
TIP
149
−1.487
56.737
73.798
1.00
54.86

ATOM
3098
OH2
TIP
150
6.452
37.420
92.986
1.00
37.34

ATOM
3101
OH2
TIP
151
3.247
49.993
70.994
1.00
34.95

ATOM
3104
S
SO4
901
20.457
33.124
69.153
1.00
10.65

ATOM
3105
O1
SO4
901
20.257
32.482
70.403
1.00
11.07

ATOM
3106
O2
SO4
901
19.170
33.561
68.666
1.00
10.55

ATOM
3107
O3
SO4
901
21.309
34.278
69.356
1.00
11.81

ATOM
3108
O4
SO4
901
21.109
32.174
68.216
1.00
8.82

ATOM
3109
O4
STU
1
26.535
40.495
85.876
1.00
11.24

ATOM
3110
C25
STU
1
27.502
40.339
84.840
1.00
9.72

ATOM
3111
C24
STU
1
27.822
41.685
84.136
1.00
10.96

ATOM
3112
C23
STU
1
26.945
42.806
84.728
1.00
12.11

ATOM
3113
C22
STU
1
25.446
42.387
84.626
1.00
12.20

ATOM
3114
C21
STU
1
25.305
41.210
85.651
1.00
11.74

ATOM
3115
C26
STU
1
24.993
41.810
86.999
1.00
10.18

ATOM
3116
N2
STU
1
24.278
40.197
85.248
1.00
8.64

ATOM
3117
C18
STU
1
24.601
39.145
84.402
1.00
7.31

ATOM
3118
C19
STU
1
25.764
38.773
83.853
1.00
8.67

ATOM
3119
C6
STU
1
25.858
37.605
82.996
1.00
6.68

ATOM
3120
C7
STU
1
24.603
36.902
82.801
1.00
5.78

ATOM
3121
C10
STU
1
23.475
37.277
83.341
1.00
5.78

ATOM
3122
C11
STU
1
23.380
38.427
84.169
1.00
7.21

ATOM
3123
C12
STU
1
22.339
39.076
84.853
1.00
8.03

ATOM
3124
C17
STU
1
22.898
40.224
85.534
1.00
7.47

ATOM
3125
C16
STU
1
22.083
41.046
86.257
1.00
10.26

ATOM
3126
C15
STU
1
20.716
40.769
86.371
1.00
7.20

ATOM
3127
C14
STU
1
20.171
39.651
85.714
1.00
8.16

ATOM
3128
C13
STU
1
20.985
38.816
84.968
1.00
7.93

ATOM
3129
C9
STU
1
22.330
36.321
82.954
1.00
6.61

ATOM
3130
N1
STU
1
23.082
35.431
82.089
1.00
7.37

ATOM
3131
C8
STU
1
24.394
35.657
81.967
1.00
6.69

ATOM
3132
O5
STU
1
25.212
35.024
81.341
1.00
9.35

ATOM
3133
C5
STU
1
27.220
37.488
82.579
1.00
8.25

ATOM
3134
C20
STU
1
27.911
38.565
83.172
1.00
8.48

ATOM
3135
C1
STU
1
29.291
38.755
82.956
1.00
10.31

ATOM
3136
C2
STU
1
29.958
37.837
82.165
1.00
7.16

ATOM
3137
C3
STU
1
29.269
36.771
81.567
1.00
6.36

ATOM
3138
C4
STU
1
27.892
36.595
81.781
1.00
6.70

ATOM
3139
N3
STU
1
27.065
39.299
83.909
1.00
11.36

ATOM
3140
O6
STU
1
25.269
41.898
83.285
1.00
15.68

ATOM
3141
C27
STU
1
24.060
42.366
82.717
1.00
16.90

ATOM
3142
N4
STU
1
27.204
44.135
83.925
1.00
14.54

ATOM
3143
C28
STU
1
28.684
44.317
83.715
1.00
18.14

[0235]

7

TABLE 5

Coordinates of Lck bound with staurosporine (co-crystal)

Atom

Type
Res
#
X
Y
Z
Occ
B

ATOM
1
CB
ASP
236
3.791
25.898
28.647
1.00
46.80

ATOM
2
CG
ASP
236
4.474
27.027
29.345
1.00
47.60

ATOM
3
OD1
ASP
236
5.651
27.293
28.999
1.00
49.11

ATOM
4
OD2
ASP
236
3.840
27.656
30.227
1.00
46.05

ATOM
5
C
ASP
236
5.224
23.887
29.069
1.00
42.76

ATOM
6
O
ASP
236
6.227
24.086
29.706
1.00
42.38

ATOM
7
N
ASP
236
4.089
24.131
26.949
1.00
48.60

ATOM
8
CA
ASP
236
4.780
24.898
28.023
1.00
44.92

ATOM
9
N
GLU
237
4.445
22.818
29.234
1.00
38.91

ATOM
10
H
GLU
237
3.653
22.675
28.677
1.00
0.00

ATOM
11
CA
GLU
237
4.754
21.766
30.187
1.00
37.11

ATOM
12
CB
GLU
237
3.577
20.817
30.298
1.00
37.19

ATOM
13
CG
GLU
237
3.275
20.087
28.992
1.00
39.32

ATOM
14
CD
GLU
237
1.931
19.415
29.040
1.00
41.04

ATOM
15
OE1
GLU
237
1.884
18.224
29.421
1.00
42.51

ATOM
16
OE2
GLU
237
0.923
20.097
28.723
1.00
44.10

ATOM
17
C
GLU
237
5.991
20.986
29.755
1.00
35.68

ATOM
18
O
GLU
237
6.509
20.167
30.514
1.00
35.83

ATOM
19
N
TRP
238
6.408
21.175
28.499
1.00
33.01

ATOM
20
H
TRP
238
5.919
21.783
27.911
1.00
0.00

ATOM
21
CA
TRP
238
7.622
20.513
27.977
1.00
28.04

ATOM
22
CB
TRP
238
7.523
20.323
26.510
1.00
27.28

ATOM
23
CG
TRP
238
6.602
19.192
26.106
1.00
25.10

ATOM
24
CD2
TRP
238
6.958
17.820
25.891
1.00
23.79

ATOM
25
CE2
TRP
238
5.772
17.136
25.553
1.00
24.28

ATOM
26
CE3
TRP
238
8.154
17.109
25.962
1.00
24.07

ATOM
27
CD1
TRP
238
5.259
19.275
25.876
1.00
25.27

ATOM
28
NE1
TRP
238
4.759
18.046
25.551
1.00
25.70

ATOM
29
HE1
TRP
238
3.828
17.863
25.317
1.00
0.00

ATOM
30
CZ2
TRP
238
5.752
15.767
25.277
1.00
26.11

ATOM
31
CZ3
TRP
238
8.140
15.736
25.687
1.00
25.32

ATOM
32
CH2
TRP
238
6.949
15.076
25.351
1.00
25.44

ATOM
33
C
TRP
238
8.838
21.379
28.309
1.00
25.92

ATOM
34
O
TRP
238
10.017
20.986
28.051
1.00
24.98

ATOM
35
N
GLU
239
8.579
22.524
28.940
1.00
23.32

ATOM
36
H
GLU
239
7.669
22.707
29.220
1.00
0.00

ATOM
37
CA
GLU
239
9.650
23.469
29.306
1.00
21.25

ATOM
38
CB
GLU
239
9.052
24.867
29.590
1.00
20.06

ATOM
39
CG
GLU
239
10.122
25.987
29.709
1.00
20.13

ATOM
40
CD
GLU
239
10.288
26.756
28.427
1.00
20.39

ATOM
41
OE1
GLU
239
9.329
26.727
27.613
1.00
23.14

ATOM
42
OE2
GLU
239
11.340
27.388
28.221
1.00
18.07

ATOM
43
C
GLU
239
10.524
23.026
30.504
1.00
20.93

ATOM
44
O
GLU
239
10.085
22.273
31.356
1.00
22.04

ATOM
45
N
VAL
240
11.807
23.378
30.451
1.00
20.04

ATOM
46
H
VAL
240
12.159
23.801
29.640
1.00
0.00

ATOM
47
CA
VAL
240
12.736
23.090
31.529
1.00
18.60

ATOM
48
CB
VAL
240
13.608
21.829
31.305
1.00
15.84

ATOM
49
CG1
VAL
240
12.748
20.637
30.977
1.00
17.84

ATOM
50
CG2
VAL
240
14.653
22.058
30.222
1.00
16.88

ATOM
51
C
VAL
240
13.644
24.301
31.599
1.00
20.21

ATOM
52
O
VAL
240
13.850
24.986
30.559
1.00
21.95

ATOM
53
N
PRO
241
14.101
24.673
32.816
1.00
19.43

ATOM
54
CD
PRO
241
13.685
24.168
34.133
1.00
19.30

ATOM
55
CA
PRO
241
14.991
25.821
32.944
1.00
19.97

ATOM
56
CB
PRO
241
15.244
25.904
34.452
1.00
19.55

ATOM
57
CG
PRO
241
13.970
25.347
35.054
1.00
20.54

ATOM
58
C
PRO
241
16.271
25.451
32.219
1.00
21.10

ATOM
59
O
PRO
241
16.714
24.324
32.275
1.00
22.63

ATOM
60
N
ARG
242
16.839
26.434
31.545
1.00
25.19

ATOM
61
H
ARG
242
16.396
27.315
31.603
1.00
0.00

ATOM
62
CA
ARG
242
18.056
26.310
30.777
1.00
26.42

ATOM
63
CB
ARG
242
18.361
27.675
30.254
1.00
28.42

ATOM
64
CG
ARG
242
19.810
28.006
30.024
1.00
32.26

ATOM
65
CD
ARG
242
19.950
29.327
29.265
1.00
32.56

ATOM
66
NE
ARG
242
19.715
29.190
27.812
1.00
31.25

ATOM
67
HE
ARG
242
20.326
28.651
27.254
1.00
0.00

ATOM
68
CZ
ARG
242
18.678
29.732
27.193
1.00
31.09

ATOM
69
NH1
ARG
242
18.533
29.579
25.903
1.00
33.13

ATOM
70
HH11
ARG
242
19.165
29.032
25.350
1.00
0.00

ATOM
71
HH12
ARG
242
17.722
29.982
25.474
1.00
0.00

ATOM
72
NH2
ARG
242
17.751
30.378
27.881
1.00
30.56

ATOM
73
HH21
ARG
242
17.904
30.430
28.867
1.00
0.00

ATOM
74
HH22
ARG
242
16.962
30.789
27.439
1.00
0.00

ATOM
75
C
ARG
242
19.232
25.726
31.574
1.00
27.56

ATOM
76
O
ARG
242
20.079
25.047
31.012
1.00
27.78

ATOM
77
N
GLU
243
19.240
25.993
32.880
1.00
26.93

ATOM
78
H
GLU
243
18.494
26.521
33.224
1.00
0.00

ATOM
79
CA
GLU
243
20.261
25.544
33.823
1.00
26.99

ATOM
80
CB
GLU
243
20.005
26.178
35.180
1.00
31.81

ATOM
81
CG
GLU
243
20.035
27.692
35.189
1.00
35.13

ATOM
82
CD
GLU
243
18.774
28.305
34.601
1.00
38.04

ATOM
83
OE1
GLU
243
17.669
27.896
35.009
1.00
38.55

ATOM
84
OE2
GLU
243
18.883
29.215
33.743
1.00
38.71

ATOM
85
C
GLU
243
20.400
24.030
34.019
1.00
25.90

ATOM
86
O
GLU
243
21.372
23.577
34.483
1.00
24.39

ATOM
87
N
THR
244
19.374
23.264
33.685
1.00
27.00

ATOM
88
H
THR
244
18.564
23.710
33.389
1.00
0.00

ATOM
89
CA
THR
244
19.428
21.790
33.803
1.00
24.81

ATOM
90
CB
THR
244
18.035
21.218
33.699
1.00
24.77

ATOM
91
OG1
THR
244
17.528
21.484
32.385
1.00
22.43

ATOM
92
HG1
THR
244
17.499
22.441
32.286
1.00
0.00

ATOM
93
CG2
THR
244
17.085
21.892
34.773
1.00
24.58

ATOM
94
C
THR
244
20.271
21.138
32.677
1.00
23.07

ATOM
95
O
THR
244
20.569
19.959
32.735
1.00
22.58

ATOM
96
N
LEU
245
20.674
21.940
31.690
1.00
20.73

ATOM
97
H
LEU
245
20.419
22.892
31.741
1.00
0.00

ATOM
98
CA
LEU
245
21.433
21.488
30.531
1.00
18.23

ATOM
99
CB
LEU
245
20.771
21.991
29.262
1.00
19.05

ATOM
100
CG
LEU
245
19.241
21.513
29.081
1.00
17.55

ATOM
101
CD1
LEU
245
18.473
22.510
28.252
1.00
15.34

ATOM
102
CD2
LEU
245
19.164
20.150
28.415
1.00
16.92

ATOM
103
C
LEU
245
22.871
21.947
30.517
1.00
18.99

ATOM
104
O
LEU
245
23.194
23.038
30.859
1.00
19.86

ATOM
105
N
LYS
246
23.761
21.070
30.108
1.00
20.59

ATOM
106
H
LYS
246
23.462
20.191
29.787
1.00
0.00

ATOM
107
CA
LYS
246
25.150
21.445
30.065
1.00
20.53

ATOM
108
CB
LYS
246
25.872
20.889
31.314
1.00
22.33

ATOM
109
CG
LYS
246
27.327
21.298
31.393
1.00
29.70

ATOM
110
CD
LYS
246
28.064
20.457
32.425
1.00
36.20

ATOM
111
CE
LYS
246
29.531
20.783
32.460
1.00
39.60

ATOM
112
NZ
LYS
246
30.197
19.773
33.326
1.00
44.20

ATOM
113
HZ1
LYS
246
30.077
18.822
32.934
1.00
0.00

ATOM
114
HZ2
LYS
246
29.800
19.817
34.286
1.00
0.00

ATOM
115
HZ3
LYS
246
31.211
20.007
33.363
1.00
0.00

ATOM
116
C
LYS
246
25.628
20.815
28.758
1.00
20.05

ATOM
117
O
LYS
246
25.594
19.611
28.624
1.00
18.81

ATOM
118
N
LEU
247
25.975
21.653
27.771
1.00
18.85

ATOM
119
H
LEU
247
25.896
22.611
27.934
1.00
0.00

ATOM
120
CA
LEU
247
26.416
21.175
26.466
1.00
18.69

ATOM
121
CB
LEU
247
26.322
22.224
25.479
1.00
17.54

ATOM
122
CG
LEU
247
25.076
23.116
25.449
1.00
17.80

ATOM
123
CD1
LEU
247
25.143
24.069
24.257
1.00
16.96

ATOM
124
CD2
LEU
247
23.841
22.231
25.323
1.00
19.23

ATOM
125
C
LEU
247
27.855
20.717
26.571
1.00
21.37

ATOM
126
O
LEU
247
28.640
21.308
27.300
1.00
24.77

ATOM
127
N
VAL
248
28.223
19.709
25.794
1.00
21.66

ATOM
128
H
VAL
248
27.573
19.379
25.152
1.00
0.00

ATOM
129
CA
VAL
248
29.559
19.136
25.874
1.00
21.38

ATOM
130
CB
VAL
248
29.498
17.640
26.289
1.00
20.80

ATOM
131
CG1
VAL
248
30.853
17.133
26.475
1.00
22.52

ATOM
132
CG2
VAL
248
28.704
17.422
27.604
1.00
22.24

ATOM
133
C
VAL
248
30.328
19.207
24.546
1.00
22.56

ATOM
134
O
VAL
248
31.561
19.467
24.531
1.00
21.04

ATOM
135
N
GLU
249
29.633
18.917
23.445
1.00
22.33

ATOM
136
H
GLU
249
28.674
18.729
23.533
1.00
0.00

ATOM
137
CA
GLU
249
30.270
18.924
22.146
1.00
21.41

ATOM
138
CB
GLU
249
31.190
17.738
22.059
1.00
24.61

ATOM
139
CG
GLU
249
30.797
16.624
21.086
1.00
27.19

ATOM
140
CD
GLU
249
31.622
15.415
21.342
1.00
25.90

ATOM
141
OE1
GLU
249
31.539
14.940
22.475
1.00
26.54

ATOM
142
OE2
GLU
249
32.388
14.957
20.465
1.00
28.83

ATOM
143
C
GLU
249
29.282
18.933
20.990
1.00
20.31

ATOM
144
O
GLU
249
28.172
18.398
21.116
1.00
20.43

ATOM
145
N
ARG
250
29.657
19.594
19.889
1.00
19.95

ATOM
146
H
ARG
250
30.533
20.023
19.868
1.00
0.00

ATOM
147
CA
ARG
250
28.803
19.653
18.728
1.00
18.92

ATOM
148
CB
ARG
250
29.263
20.749
17.760
1.00
19.62

ATOM
149
CG
ARG
250
28.144
21.118
16.776
1.00
22.87

ATOM
150
CD
ARG
250
28.464
22.301
15.866
1.00
25.91

ATOM
151
NE
ARG
250
29.548
21.975
14.935
1.00
29.56

ATOM
152
HE
ARG
250
29.788
21.031
14.794
1.00
0.00

ATOM
153
CZ
ARG
250
30.256
22.870
14.248
1.00
30.00

ATOM
154
NH1
ARG
250
30.017
24.175
14.379
1.00
31.26

ATOM
155
HH11
ARG
250
29.360
24.512
15.046
1.00
0.00

ATOM
156
HH12
ARG
250
30.618
24.823
13.904
1.00
0.00

ATOM
157
NH2
ARG
250
31.237
22.449
13.455
1.00
32.08

ATOM
158
HH21
ARG
250
31.465
21.483
13.392
1.00
0.00

ATOM
159
HH22
ARG
250
31.809
23.119
12.973
1.00
0.00

ATOM
160
C
ARG
250
28.680
18.286
18.005
1.00
17.81

ATOM
161
O
ARG
250
29.658
17.620
17.763
1.00
17.54

ATOM
162
N
LEU
251
27.443
17.906
17.684
1.00
16.70

ATOM
163
H
LEU
251
26.721
18.480
17.946
1.00
0.00

ATOM
164
CA
LEU
251
27.124
16.646
17.012
1.00
17.18

ATOM
165
CB
LEU
251
25.792
16.022
17.671
1.00
12.00

ATOM
166
CG
LEU
251
26.060
15.643
19.116
1.00
9.13

ATOM
167
CD1
LEU
251
24.780
15.282
19.838
1.00
8.56

ATOM
168
CD2
LEU
251
27.030
14.487
19.140
1.00
9.12

ATOM
169
C
LEU
251
26.915
16.844
15.516
1.00
18.82

ATOM
170
O
LEU
251
27.264
15.986
14.680
1.00
18.66

ATOM
171
N
GLY
252
26.214
17.924
15.215
1.00
20.66

ATOM
172
H
GLY
252
25.890
18.473
15.946
1.00
0.00

ATOM
173
CA
GLY
252
25.922
18.263
13.857
1.00
20.26

ATOM
174
C
GLY
252
25.519
19.698
13.794
1.00
18.71

ATOM
175
O
GLY
252
25.384
20.336
14.773
1.00
18.94

ATOM
176
N
ALA
253
25.381
20.194
12.582
1.00
21.92

ATOM
177
H
ALA
253
25.551
19.598
11.818
1.00
0.00

ATOM
178
CA
ALA
253
25.023
21.575
12.352
1.00
25.78

ATOM
179
CB
ALA
253
26.269
22.416
12.163
1.00
23.39

ATOM
180
C
ALA
253
24.169
21.620
11.109
1.00
28.69

ATOM
181
O
ALA
253
24.094
20.661
10.333
1.00
31.18

ATOM
182
N
GLY
254
23.543
22.762
10.907
1.00
31.13

ATOM
183
H
GLY
254
23.740
23.501
11.514
1.00
0.00

ATOM
184
CA
GLY
254
22.681
22.932
9.760
1.00
31.34

ATOM
185
C
GLY
254
22.453
24.412
9.502
1.00
33.30

ATOM
186
O
GLY
254
22.875
25.273
10.220
1.00
34.94

ATOM
187
N
GLN
255
21.707
24.661
8.446
1.00
34.93

ATOM
188
H
GLN
255
21.414
23.882
7.935
1.00
0.00

ATOM
189
CA
GLN
255
21.381
25.993
7.990
1.00
35.95

ATOM
190
CB
GLN
255
20.360
25.808
6.752
1.00
38.38

ATOM
191
CG
GLN
255
19.821
27.042
6.054
1.00
41.48

ATOM
192
CD
GLN
255
19.180
26.669
4.714
1.00
47.23

ATOM
193
OE1
GLN
255
18.534
27.522
4.041
1.00
49.67

ATOM
194
NE2
GLN
255
19.373
25.402
4.284
1.00
50.42

ATOM
195
HE21
GLN
255
19.917
24.747
4.776
1.00
0.00

ATOM
196
HE22
GLN
255
18.938
25.186
3.453
1.00
0.00

ATOM
197
C
GLN
255
20.720
26.744
9.127
1.00
34.52

ATOM
198
O
GLN
255
20.966
27.891
9.336
1.00
34.74

ATOM
199
N
PHE
256
19.965
26.015
9.931
1.00
32.37

ATOM
200
H
PHE
256
19.986
25.040
9.799
1.00
0.00

ATOM
201
CA
PHE
256
19.233
26.626
10.998
1.00
31.02

ATOM
202
CB
PHE
256
17.802
26.173
10.925
1.00
33.47

ATOM
203
CG
PHE
256
17.173
26.361
9.550
1.00
34.65

ATOM
204
CD1
PHE
256
16.762
27.618
9.129
1.00
34.03

ATOM
205
CD2
PHE
256
16.961
25.268
8.703
1.00
34.27

ATOM
206
CE1
PHE
256
16.138
27.788
7.887
1.00
35.95

ATOM
207
CE2
PHE
256
16.343
25.428
7.469
1.00
35.62

ATOM
208
CZ
PHE
256
15.927
26.688
7.059
1.00
35.86

ATOM
209
C
PHE
256
19.768
26.539
12.412
1.00
28.86

ATOM
210
O
PHE
256
19.068
26.901
13.350
1.00
28.45

ATOM
211
N
GLY
257
21.015
26.101
12.564
1.00
27.17

ATOM
212
H
GLY
257
21.512
25.802
11.778
1.00
0.00

ATOM
213
CA
GLY
257
21.610
25.998
13.889
1.00
23.61

ATOM
214
C
GLY
257
22.458
24.759
14.058
1.00
23.10

ATOM
215
O
GLY
257
22.895
24.173
13.100
1.00
24.22

ATOM
216
N
GLU
258
22.673
24.350
15.302
1.00
21.66

ATOM
217
H
GLU
258
22.235
24.827
16.032
1.00
0.00

ATOM
218
CA
GLU
258
23.495
23.190
15.570
1.00
21.37

ATOM
219
CB
GLU
258
24.895
23.630
16.166
1.00
21.18

ATOM
220
CG
GLU
258
25.509
24.857
15.493
1.00
25.01

ATOM
221
CD
GLU
258
26.893
25.250
16.051
1.00
26.04

ATOM
222
OE1
GLU
258
27.129
25.093
17.263
1.00
26.94

ATOM
223
OE2
GLU
258
27.754
25.693
15.267
1.00
27.69

ATOM
224
C
GLU
258
22.807
22.228
16.545
1.00
21.96

ATOM
225
O
GLU
258
21.757
22.510
17.054
1.00
20.84

ATOM
226
N
VAL
259
23.425
21.064
16.738
1.00
20.74

ATOM
227
H
VAL
259
24.273
20.906
16.271
1.00
0.00

ATOM
228
CA
VAL
259
22.937
20.055
17.631
1.00
18.85

ATOM
229
CB
VAL
259
22.400
18.783
16.905
1.00
19.01

ATOM
230
CG1
VAL
259
21.727
17.851
17.955
1.00
17.27

ATOM
231
CG2
VAL
259
21.382
19.154
15.840
1.00
14.61

ATOM
232
C
VAL
259
24.147
19.669
18.434
1.00
18.28

ATOM
233
O
VAL
259
25.158
19.287
17.881
1.00
15.44

ATOM
234
N
TRP
260
24.049
19.849
19.746
1.00
18.54

ATOM
235
H
TRP
260
23.224
20.192
20.135
1.00
0.00

ATOM
236
CA
TRP
260
25.143
19.521
20.657
1.00
18.28

ATOM
237
CB
TRP
260
25.467
20.761
21.579
1.00
16.68

ATOM
238
CG
TRP
260
26.287
21.792
20.906
1.00
16.02

ATOM
239
CD2
TRP
260
27.633
22.197
21.249
1.00
17.43

ATOM
240
CE2
TRP
260
28.047
23.102
20.254
1.00
16.94

ATOM
241
CE3
TRP
260
28.514
21.867
22.292
1.00
17.76

ATOM
242
CD1
TRP
260
25.964
22.455
19.778
1.00
16.58

ATOM
243
NE1
TRP
260
27.012
23.238
19.379
1.00
19.77

ATOM
244
HE1
TRP
260
27.025
23.721
18.554
1.00
0.00

ATOM
245
CZ2
TRP
260
29.335
23.696
20.254
1.00
19.83

ATOM
246
CZ3
TRP
260
29.781
22.447
22.310
1.00
20.99

ATOM
247
CH2
TRP
260
30.186
23.365
21.283
1.00
20.11

ATOM
248
C
TRP
260
24.744
18.362
21.539
1.00
20.03

ATOM
249
O
TRP
260
23.553
18.102
21.722
1.00
19.16

ATOM
250
N
MET
261
25.737
17.616
22.002
1.00
21.49

ATOM
251
H
MET
261
26.629
17.742
21.684
1.00
0.00

ATOM
252
CA
MET
261
25.469
16.551
22.945
1.00
23.90

ATOM
253
CB
MET
261
26.469
15.538
22.900
1.00
29.21

ATOM
254
CG
MET
261
26.001
14.253
23.567
1.00
34.50

ATOM
255
SD
MET
261
27.358
13.279
24.148
1.00
41.23

ATOM
256
CE
MET
261
27.595
14.367
25.679
1.00
37.94

ATOM
257
C
MET
261
25.578
17.231
24.304
1.00
23.09

ATOM
258
O
MET
261
26.380
18.129
24.465
1.00
21.47

ATOM
259
N
GLY
262
24.759
16.790
25.251
1.00
22.19

ATOM
260
H
GLY
262
24.151
16.041
25.056
1.00
0.00

ATOM
261
CA
GLY
262
24.809
17.356
26.583
1.00
21.04

ATOM
262
C
GLY
262
24.198
16.475
27.660
1.00
19.56

ATOM
263
O
GLY
262
23.758
15.364
27.410
1.00
16.24

ATOM
264
N
TYR
263
24.154
17.002
28.873
1.00
20.15

ATOM
265
H
TYR
263
24.538
17.889
29.022
1.00
0.00

ATOM
266
CA
TYR
263
23.551
16.273
29.977
1.00
19.48

ATOM
267
CB
TYR
263
24.601
15.911
31.094
1.00
19.10

ATOM
268
CG
TYR
263
25.675
14.963
30.635
1.00
18.96

ATOM
269
CD1
TYR
263
25.537
13.598
30.820
1.00
19.92

ATOM
270
CE1
TYR
263
26.542
12.730
30.439
1.00
23.80

ATOM
271
CD2
TYR
263
26.827
15.433
30.058
1.00
20.00

ATOM
272
CE2
TYR
263
27.831
14.589
29.676
1.00
22.24

ATOM
273
CZ
TYR
263
27.698
13.239
29.871
1.00
24.04

ATOM
274
OH
TYR
263
28.757
12.382
29.574
1.00
27.68

ATOM
275
HH
TYR
263
28.443
11.476
29.635
1.00
0.00

ATOM
276
C
TYR
263
22.460
17.113
30.571
1.00
19.32

ATOM
277
O
TYR
263
22.558
18.315
30.644
1.00
17.43

ATOM
278
N
TYR
264
21.367
16.438
30.883
1.00
21.19

ATOM
279
H
TYR
264
21.324
15.494
30.723
1.00
0.00

ATOM
280
CA
TYR
264
20.229
17.036
31.502
1.00
21.95

ATOM
281
CB
TYR
264
18.923
16.482
30.899
1.00
22.87

ATOM
282
CG
TYR
264
17.716
16.939
31.686
1.00
24.12

ATOM
283
CD1
TYR
264
17.248
18.242
31.568
1.00
24.43

ATOM
284
CE1
TYR
264
16.170
18.697
32.315
1.00
25.88

ATOM
285
CD2
TYR
264
17.073
16.084
32.594
1.00
24.17

ATOM
286
CE2
TYR
264
16.006
16.521
33.355
1.00
25.59

ATOM
287
CZ
TYR
264
15.550
17.845
33.205
1.00
27.77

ATOM
288
OH
TYR
264
14.466
18.305
33.951
1.00
28.67

ATOM
289
HH
TYR
264
14.314
19.238
33.807
1.00
0.00

ATOM
290
C
TYR
264
20.351
16.623
32.971
1.00
20.56

ATOM
291
O
TYR
264
20.483
15.435
33.269
1.00
18.29

ATOM
292
N
ASN
265
20.342
17.623
33.857
1.00
19.32

ATOM
293
H
ASN
265
20.162
18.504
33.538
1.00
0.00

ATOM
294
CA
ASN
265
20.447
17.436
35.295
1.00
20.07

ATOM
295
CB
ASN
265
19.069
16.859
35.926
1.00
22.63

ATOM
296
CG
ASN
265
17.939
17.900
35.993
1.00
23.77

ATOM
297
OD1
ASN
265
16.765
17.528
36.058
1.00
27.24

ATOM
298
ND2
ASN
265
18.277
19.182
35.996
1.00
22.89

ATOM
299
HD21
ASN
265
19.218
19.438
35.981
1.00
0.00

ATOM
300
HD22
ASN
265
17.513
19.801
36.017
1.00
0.00

ATOM
301
C
ASN
265
21.598
16.513
35.644
1.00
19.57

ATOM
302
O
ASN
265
21.444
15.568
36.440
1.00
21.81

ATOM
303
N
GLY
266
22.694
16.684
34.923
1.00
18.80

ATOM
304
H
GLY
266
22.674
17.344
34.215
1.00
0.00

ATOM
305
CA
GLY
266
23.886
15.880
35.152
1.00
18.08

ATOM
306
C
GLY
266
23.927
14.406
34.755
1.00
18.46

ATOM
307
O
GLY
266
24.913
13.966
34.239
1.00
19.36

ATOM
308
N
HIS
267
22.874
13.634
34.986
1.00
18.26

ATOM
309
H
HIS
267
22.030
13.994
35.342
1.00
0.00

ATOM
310
CA
HIS
267
22.975
12.202
34.690
1.00
18.36

ATOM
311
CB
HIS
267
22.331
11.387
35.831
1.00
16.64

ATOM
312
CG
HIS
267
22.974
11.631
37.167
1.00
17.85

ATOM
313
CD2
HIS
267
24.247
11.441
37.588
1.00
16.28

ATOM
314
ND1
HIS
267
22.297
12.203
38.230
1.00
16.85

ATOM
315
HD1
HIS
267
21.347
12.427
38.198
1.00
0.00

ATOM
316
CE1
HIS
267
23.122
12.351
39.253
1.00
17.98

ATOM
317
NE2
HIS
267
24.312
11.903
38.887
1.00
18.91

ATOM
318
HE2
HIS
267
25.100
11.862
39.466
1.00
0.00

ATOM
319
C
HIS
267
22.495
11.644
33.372
1.00
18.26

ATOM
320
O
HIS
267
22.867
10.577
33.032
1.00
18.50

ATOM
321
N
THR
268
21.707
12.404
32.627
1.00
18.80

ATOM
322
H
THR
268
21.516
13.323
32.893
1.00
0.00

ATOM
323
CA
THR
268
21.135
11.895
31.394
1.00
18.36

ATOM
324
CB
THR
268
19.622
12.011
31.458
1.00
18.73

ATOM
325
OG1
THR
268
19.155
11.590
32.744
1.00
19.09

ATOM
326
HG1
THR
268
19.621
10.788
32.942
1.00
0.00

ATOM
327
CG2
THR
268
18.989
11.139
30.380
1.00
22.10

ATOM
328
C
THR
268
21.616
12.621
30.125
1.00
18.35

ATOM
329
O
THR
268
21.543
13.840
30.043
1.00
16.59

ATOM
330
N
LYS
269
22.200
11.851
29.199
1.00
20.11

ATOM
331
H
LYS
269
22.299
10.892
29.399
1.00
0.00

ATOM
332
CA
LYS
269
22.680
12.370
27.911
1.00
21.64

ATOM
333
CB
LYS
269
23.598
11.307
27.147
1.00
22.56

ATOM
334
CG
LYS
269
24.846
10.957
27.930
1.00
25.30

ATOM
335
CD
LYS
269
25.476
9.670
27.412
1.00
28.98

ATOM
336
CE
LYS
269
26.871
9.547
28.017
1.00
32.35

ATOM
337
NZ
LYS
269
27.574
8.396
27.403
1.00
38.77

ATOM
338
HZ1
LYS
269
27.799
8.601
26.411
1.00
0.00

ATOM
339
HZ2
LYS
269
26.988
7.547
27.510
1.00
0.00

ATOM
340
HZ3
LYS
269
28.455
8.277
27.953
1.00
0.00

ATOM
341
C
LYS
269
21.515
12.750
27.026
1.00
21.29

ATOM
342
O
LYS
269
20.508
12.018
26.910
1.00
22.47

ATOM
343
N
VAL
270
21.629
13.914
26.413
1.00
21.18

ATOM
344
H
VAL
270
22.463
14.406
26.474
1.00
0.00

ATOM
345
CA
VAL
270
20.573
14.419
25.527
1.00
19.20

ATOM
346
CB
VAL
270
19.650
15.471
26.228
1.00
16.29

ATOM
347
CG1
VAL
270
18.900
14.861
27.343
1.00
15.36

ATOM
348
CG2
VAL
270
20.462
16.696
26.710
1.00
13.94

ATOM
349
C
VAL
270
21.201
15.105
24.321
1.00
19.18

ATOM
350
O
VAL
270
22.331
15.355
24.308
1.00
18.97

ATOM
351
N
ALA
271
20.400
15.338
23.299
1.00
19.44

ATOM
352
H
ALA
271
19.518
14.941
23.301
1.00
0.00

ATOM
353
CA
ALA
271
20.789
16.065
22.094
1.00
18.40

ATOM
354
CB
ALA
271
20.268
15.374
20.870
1.00
16.26

ATOM
355
C
ALA
271
20.042
17.383
22.284
1.00
19.24

ATOM
356
O
ALA
271
18.855
17.376
22.664
1.00
21.56

ATOM
357
N
VAL
272
20.697
18.495
21.997
1.00
18.95

ATOM
358
H
VAL
272
21.601
18.457
21.661
1.00
0.00

ATOM
359
CA
VAL
272
20.092
19.784
22.172
1.00
20.35

ATOM
360
CB
VAL
272
20.808
20.620
23.306
1.00
19.65

ATOM
361
CG1
VAL
272
20.112
21.962
23.493
1.00
18.00

ATOM
362
CG2
VAL
272
20.781
19.841
24.665
1.00
20.95

ATOM
363
C
VAL
272
20.199
20.527
20.881
1.00
22.19

ATOM
364
O
VAL
272
21.311
20.878
20.435
1.00
24.94

ATOM
365
N
LYS
273
19.074
20.696
20.211
1.00
22.47

ATOM
366
H
LYS
273
18.272
20.281
20.532
1.00
0.00

ATOM
367
CA
LYS
273
19.077
21.446
18.965
1.00
23.52

ATOM
368
CB
LYS
273
18.066
20.840
17.941
1.00
24.86

ATOM
369
CG
LYS
273
17.817
21.750
16.776
1.00
29.78

ATOM
370
CD
LYS
273
17.453
20.993
15.501
1.00
30.56

ATOM
371
CE
LYS
273
16.152
20.315
15.666
1.00
32.32

ATOM
372
NZ
LYS
273
15.807
19.999
14.244
1.00
35.37

ATOM
373
HZ1
LYS
273
16.478
19.320
13.843
1.00
0.00

ATOM
374
HZ2
LYS
273
15.731
20.833
13.652
1.00
0.00

ATOM
375
HZ3
LYS
273
14.943
19.564
14.245
1.00
0.00

ATOM
376
C
LYS
273
18.824
22.944
19.257
1.00
24.57

ATOM
377
O
LYS
273
18.000
23.303
20.101
1.00
22.70

ATOM
378
N
SER
274
19.676
23.785
18.680
1.00
26.33

ATOM
379
H
SER
274
20.405
23.427
18.137
1.00
0.00

ATOM
380
CA
SER
274
19.610
25.236
18.846
1.00
28.06

ATOM
381
CB
SER
274
20.912
25.730
19.293
1.00
29.22

ATOM
382
OG
SER
274
21.815
25.648
18.213
1.00
30.92

ATOM
383
HG
SER
274
21.932
24.741
17.931
1.00
0.00

ATOM
384
C
SER
274
19.300
25.945
17.535
1.00
28.19

ATOM
385
O
SER
274
19.666
25.468
16.459
1.00
29.21

ATOM
386
N
LEU
275
18.631
27.089
17.637
1.00
29.21

ATOM
387
H
LEU
275
18.366
27.394
18.529
1.00
0.00

ATOM
388
CA
LEU
275
18.281
27.885
16.472
1.00
30.75

ATOM
389
CB
LEU
275
16.922
28.481
16.668
1.00
30.97

ATOM
390
CG
LEU
275
16.466
29.637
15.699
1.00
30.72

ATOM
391
CD1
LEU
275
16.239
29.112
14.291
1.00
28.54

ATOM
392
CD2
LEU
275
15.192
30.238
16.246
1.00
27.65

ATOM
393
C
LEU
275
19.310
28.995
16.241
1.00
32.68

ATOM
394
O
LEU
275
19.805
29.605
17.188
1.00
32.72

ATOM
395
N
LYS
276
19.707
29.169
14.985
1.00
35.82

ATOM
396
H
LYS
276
19.294
28.612
14.293
1.00
0.00

ATOM
397
CA
LYS
276
20.655
30.226
14.574
1.00
38.60

ATOM
398
CB
LYS
276
21.248
29.903
13.169
1.00
39.11

ATOM
399
CG
LYS
276
22.048
31.043
12.545
1.00
41.51

ATOM
400
CD
LYS
276
23.503
31.051
13.033
1.00
42.68

ATOM
401
CE
LYS
276
24.319
32.242
12.431
1.00
42.05

ATOM
402
NZ
LYS
276
25.725
32.388
12.943
1.00
39.53

ATOM
403
HZ1
LYS
276
26.243
31.536
12.658
1.00
0.00

ATOM
404
HZ2
LYS
276
25.767
32.555
13.968
1.00
0.00

ATOM
405
HZ3
LYS
276
26.126
33.210
12.446
1.00
0.00

ATOM
406
C
LYS
276
19.784
31.474
14.457
1.00
39.39

ATOM
407
O
LYS
276
19.019
31.616
13.490
1.00
39.17

ATOM
408
N
ALA
277
19.849
32.340
15.466
1.00
39.77

ATOM
409
H
ALA
277
20.499
32.208
16.185
1.00
0.00

ATOM
410
CA
ALA
277
19.021
33.549
15.475
1.00
39.86

ATOM
411
CB
ALA
277
19.495
34.510
16.542
1.00
40.00

ATOM
412
C
ALA
277
19.076
34.208
14.111
1.00
40.53

ATOM
413
O
ALA
277
20.188
34.451
13.595
1.00
41.71

ATOM
414
N
GLY
278
17.895
34.361
13.497
1.00
40.19

ATOM
415
H
GLY
278
17.070
34.077
13.940
1.00
0.00

ATOM
416
CA
GLY
278
17.772
34.986
12.196
1.00
39.90

ATOM
417
C
GLY
278
17.411
34.039
11.066
1.00
40.07

ATOM
418
O
GLY
278
16.643
34.387
10.152
1.00
39.36

ATOM
419
N
SER
279
17.950
32.829
11.121
1.00
39.55

ATOM
420
H
SER
279
18.460
32.599
11.913
1.00
0.00

ATOM
421
CA
SER
279
17.691
31.858
10.084
1.00
40.33

ATOM
422
CB
SER
279
18.509
30.519
10.343
1.00
41.24

ATOM
423
OG
SER
279
18.020
29.776
11.465
1.00
41.31

ATOM
424
HG
SER
279
17.941
30.355
12.226
1.00
0.00

ATOM
425
C
SER
279
16.200
31.597
9.946
1.00
39.55

ATOM
426
O
SER
279
15.654
31.833
8.885
1.00
40.76

ATOM
427
N
MET
280
15.554
31.130
11.019
1.00
39.15

ATOM
428
H
MET
280
16.081
30.996
11.834
1.00
0.00

ATOM
429
CA
MET
280
14.102
30.829
11.032
1.00
36.90

ATOM
430
CB
MET
280
13.784
29.363
11.511
1.00
35.40

ATOM
431
CG
MET
280
14.166
28.220
10.669
1.00
33.08

ATOM
432
SD
MET
280
13.474
26.775
11.444
1.00
32.04

ATOM
433
CE
MET
280
12.147
26.415
10.385
1.00
33.15

ATOM
434
C
MET
280
13.480
31.665
12.132
1.00
36.73

ATOM
435
O
MET
280
14.175
32.154
13.061
1.00
35.99

ATOM
436
N
SER
281
12.156
31.676
12.137
1.00
35.83

ATOM
437
H
SER
281
11.686
31.187
11.425
1.00
0.00

ATOM
438
CA
SER
281
11.433
32.390
13.178
1.00
36.07

ATOM
439
CB
SER
281
10.068
32.744
12.692
1.00
36.22

ATOM
440
OG
SER
281
9.257
31.596
12.575
1.00
36.03

ATOM
441
HG
SER
281
9.656
30.939
12.006
1.00
0.00

ATOM
442
C
SER
281
11.326
31.404
14.337
1.00
36.64

ATOM
443
O
SER
281
11.340
30.207
14.127
1.00
35.93

ATOM
444
N
PRO
282
11.236
31.914
15.581
1.00
36.85

ATOM
445
CD
PRO
282
11.431
33.305
16.009
1.00
36.93

ATOM
446
CA
PRO
282
11.125
31.014
16.736
1.00
36.71

ATOM
447
CB
PRO
282
10.844
31.977
17.873
1.00
37.49

ATOM
448
CG
PRO
282
11.776
33.133
17.503
1.00
36.47

ATOM
449
C
PRO
282
10.020
29.998
16.554
1.00
37.06

ATOM
450
O
PRO
282
10.248
28.786
16.678
1.00
35.66

ATOM
451
N
ASP
283
8.855
30.468
16.120
1.00
40.09

ATOM
452
H
ASP
283
8.744
31.411
15.877
1.00
0.00

ATOM
453
CA
ASP
283
7.726
29.556
15.919
1.00
42.61

ATOM
454
CB
ASP
283
6.502
30.261
15.385
1.00
46.31

ATOM
455
CG
ASP
283
5.285
29.356
15.387
1.00
51.30

ATOM
456
OD1
ASP
283
4.405
29.614
16.232
1.00
56.76

ATOM
457
OD2
ASP
283
5.210
28.360
14.594
1.00
51.06

ATOM
458
C
ASP
283
8.096
28.487
14.916
1.00
41.24

ATOM
459
O
ASP
283
7.865
27.314
15.156
1.00
42.82

ATOM
460
N
ALA
284
8.583
28.910
13.754
1.00
38.03

ATOM
461
H
ALA
284
8.670
29.863
13.540
1.00
0.00

ATOM
462
CA
ALA
284
8.964
27.960
12.720
1.00
35.19

ATOM
463
CB
ALA
284
9.693
28.675
11.566
1.00
35.32

ATOM
464
C
ALA
284
9.846
26.870
13.318
1.00
32.88

ATOM
465
O
ALA
284
9.626
25.735
13.075
1.00
33.47

ATOM
466
N
PHE
285
10.756
27.249
14.209
1.00
31.43

ATOM
467
H
PHE
285
10.739
28.189
14.493
1.00
0.00

ATOM
468
CA
PHE
285
11.697
26.306
14.834
1.00
29.33

ATOM
469
CB
PHE
285
12.711
27.074
15.618
1.00
27.32

ATOM
470
CG
PHE
285
13.716
26.221
16.326
1.00
25.58

ATOM
471
CD1
PHE
285
14.701
25.529
15.608
1.00
24.24

ATOM
472
CD2
PHE
285
13.725
26.151
17.725
1.00
23.01

ATOM
473
CE1
PHE
285
15.685
24.787
16.283
1.00
20.29

ATOM
474
CE2
PHE
285
14.696
25.419
18.403
1.00
19.10

ATOM
475
CZ
PHE
285
15.676
24.740
17.685
1.00
19.07

ATOM
476
C
PHE
285
11.020
25.301
15.743
1.00
28.45

ATOM
477
O
PHE
285
11.143
24.084
15.557
1.00
29.37

ATOM
478
N
LEU
286
10.243
25.844
16.671
1.00
26.80

ATOM
479
H
LEU
286
10.143
26.804
16.644
1.00
0.00

ATOM
480
CA
LEU
286
9.502
25.107
17.668
1.00
25.29

ATOM
481
CB
LEU
286
8.986
26.073
18.729
1.00
25.66

ATOM
482
CG
LEU
286
10.089
26.601
19.668
1.00
25.26

ATOM
483
CD1
LEU
286
9.557
27.768
20.484
1.00
24.21

ATOM
484
CD2
LEU
286
10.564
25.471
20.561
1.00
24.32

ATOM
485
C
LEU
286
8.360
24.289
17.118
1.00
25.52

ATOM
486
O
LEU
286
7.707
23.497
17.872
1.00
27.10

ATOM
487
N
ALA
287
8.023
24.560
15.864
1.00
25.41

ATOM
488
H
ALA
287
8.529
25.216
15.357
1.00
0.00

ATOM
489
CA
ALA
287
6.971
23.844
15.183
1.00
24.61

ATOM
490
CB
ALA
287
6.836
24.387
13.744
1.00
26.81

ATOM
491
C
ALA
287
7.422
22.384
15.132
1.00
24.45

ATOM
492
O
ALA
287
6.624
21.477
15.298
1.00
24.93

ATOM
493
N
GLU
288
8.702
22.174
14.820
1.00
23.88

ATOM
494
H
GLU
288
9.312
22.940
14.717
1.00
0.00

ATOM
495
CA
GLU
288
9.231
20.814
14.779
1.00
24.30

ATOM
496
CB
GLU
288
10.766
20.822
14.364
1.00
26.18

ATOM
497
CG
GLU
288
11.463
19.475
14.477
1.00
26.23

ATOM
498
CD
GLU
288
12.897
19.506
14.023
1.00
28.71

ATOM
499
OE1
GLU
288
13.272
20.413
13.260
1.00
30.58

ATOM
500
OE2
GLU
288
13.664
18.598
14.414
1.00
30.96

ATOM
501
C
GLU
288
9.032
20.076
16.124
1.00
23.56

ATOM
502
O
GLU
288
8.814
18.910
16.131
1.00
23.44

ATOM
503
N
ALA
289
9.134
20.761
17.261
1.00
23.55

ATOM
504
H
ALA
289
9.343
21.722
17.234
1.00
0.00

ATOM
505
CA
ALA
289
8.944
20.097
18.562
1.00
22.37

ATOM
506
CB
ALA
289
9.596
20.893
19.719
1.00
21.36

ATOM
507
C
ALA
289
7.470
19.861
18.866
1.00
22.76

ATOM
508
O
ALA
289
7.117
18.914
19.545
1.00
25.01

ATOM
509
N
ASN
290
6.603
20.751
18.429
1.00
21.93

ATOM
510
H
ASN
290
6.914
21.541
17.946
1.00
0.00

ATOM
511
CA
ASN
290
5.211
20.512
18.709
1.00
23.59

ATOM
512
CB
ASN
290
4.390
21.808
18.429
1.00
27.38

ATOM
513
CG
ASN
290
4.843
22.955
19.304
1.00
28.57

ATOM
514
OD1
ASN
290
5.377
22.741
20.398
1.00
27.79

ATOM
515
ND2
ASN
290
4.680
24.178
18.815
1.00
34.15

ATOM
516
HD21
ASN
290
4.270
24.283
17.932
1.00
0.00

ATOM
517
HD22
ASN
290
4.978
24.938
19.353
1.00
0.00

ATOM
518
C
ASN
290
4.698
19.280
17.918
1.00
25.04

ATOM
519
O
ASN
290
3.864
18.509
18.382
1.00
24.16

ATOM
520
N
LEU
291
5.327
19.019
16.782
1.00
26.48

ATOM
521
H
LEU
291
6.090
19.560
16.506
1.00
0.00

ATOM
522
CA
LEU
291
4.910
17.897
15.966
1.00
26.45

ATOM
523
CB
LEU
291
5.481
18.048
14.428
1.00
25.95

ATOM
524
CG
LEU
291
5.105
16.968
13.447
1.00
25.74

ATOM
525
CD1
LEU
291
5.139
17.516
12.025
1.00
26.12

ATOM
526
CD2
LEU
291
6.051
15.797
13.576
1.00
24.84

ATOM
527
C
LEU
291
5.371
16.618
16.637
1.00
25.50

ATOM
528
O
LEU
291
4.631
15.597
16.652
1.00
25.63

ATOM
529
N
MET
292
6.555
16.685
17.246
1.00
23.27

ATOM
530
H
MET
292
7.070
17.514
17.229
1.00
0.00

ATOM
531
CA
MET
292
7.123
15.539
17.932
1.00
21.50

ATOM
532
CB
MET
292
8.611
15.828
18.296
1.00
20.49

ATOM
533
CG
MET
292
9.610
15.938
17.097
1.00
18.65

ATOM
534
SD
MET
292
11.270
16.534
17.627
1.00
19.81

ATOM
535
CE
MET
292
11.895
15.041
18.310
1.00
16.94

ATOM
536
C
MET
292
6.299
15.182
19.187
1.00
22.39

ATOM
537
O
MET
292
6.385
14.036
19.686
1.00
23.71

ATOM
538
N
LYS
293
5.553
16.154
19.726
1.00
23.32

ATOM
539
H
LYS
293
5.568
17.038
19.312
1.00
0.00

ATOM
540
CA
LYS
293
4.720
15.925
20.923
1.00
25.64

ATOM
541
CB
LYS
293
4.122
17.235
21.498
1.00
23.53

ATOM
542
CG
LYS
293
5.092
18.202
22.085
1.00
22.58

ATOM
543
CD
LYS
293
4.431
19.567
22.349
1.00
21.05

ATOM
544
CE
LYS
293
5.455
20.560
22.785
1.00
20.29

ATOM
545
NZ
LYS
293
4.925
21.853
23.235
1.00
18.15

ATOM
546
HZ1
LYS
293
4.258
21.688
24.014
1.00
0.00

ATOM
547
HZ2
LYS
293
4.461
22.261
22.401
1.00
0.00

ATOM
548
HZ3
LYS
293
5.734
22.429
23.537
1.00
0.00

ATOM
549
C
LYS
293
3.546
15.033
20.575
1.00
27.96

ATOM
550
O
LYS
293
2.997
14.377
21.449
1.00
29.20

ATOM
551
N
GLN
294
3.150
15.064
19.293
1.00
29.18

ATOM
552
H
GLN
294
3.595
15.675
18.671
1.00
0.00

ATOM
553
CA
GLN
294
2.030
14.277
18.777
1.00
26.86

ATOM
554
CB
GLN
294
1.332
14.997
17.663
1.00
28.41

ATOM
555
CG
GLN
294
−0.005
15.610
18.056
1.00
33.97

ATOM
556
CD
GLN
294
0.147
16.879
18.842
1.00
36.37

ATOM
557
OE1
GLN
294
−0.825
17.350
19.512
1.00
40.52

ATOM
558
NE2
GLN
294
1.318
17.498
18.747
1.00
36.06

ATOM
559
HE21
GLN
294
2.015
17.217
18.112
1.00
0.00

ATOM
560
HE22
GLN
294
1.406
18.251
19.364
1.00
0.00

ATOM
561
C
GLN
294
2.425
12.951
18.224
1.00
25.80

ATOM
562
O
GLN
294
1.570
12.164
17.961
1.00
27.90

ATOM
563
N
LEU
295
3.716
12.757
17.959
1.00
24.61

ATOM
564
H
LEU
295
4.326
13.512
18.045
1.00
0.00

ATOM
565
CA
LEU
295
4.220
11.519
17.374
1.00
23.43

ATOM
566
CB
LEU
295
4.870
11.790
15.962
1.00
23.72

ATOM
567
CG
LEU
295
4.218
11.719
14.628
1.00
21.42

ATOM
568
CD1
LEU
295
5.282
11.885
13.579
1.00
19.41

ATOM
569
CD2
LEU
295
3.460
10.410
14.442
1.00
21.08

ATOM
570
C
LEU
295
5.266
10.822
18.213
1.00
23.15

ATOM
571
O
LEU
295
6.479
10.974
17.981
1.00
25.10

ATOM
572
N
GLN
296
4.828
9.990
19.131
1.00
22.98

ATOM
573
H
GLN
296
3.862
9.851
19.183
1.00
0.00

ATOM
574
CA
GLN
296
5.783
9.269
19.957
1.00
22.87

ATOM
575
CB
GLN
296
5.554
9.561
21.412
1.00
24.69

ATOM
576
CG
GLN
296
5.779
11.017
21.719
1.00
26.60

ATOM
577
CD
GLN
296
5.584
11.326
23.162
1.00
27.41

ATOM
578
OE1
GLN
296
6.061
10.603
24.034
1.00
30.16

ATOM
579
NE2
GLN
296
4.848
12.396
23.438
1.00
30.06

ATOM
580
HE21
GLN
296
4.492
12.957
22.721
1.00
0.00

ATOM
581
HE22
GLN
296
4.729
12.554
24.401
1.00
0.00

ATOM
582
C
GLN
296
5.777
7.786
19.661
1.00
22.60

ATOM
583
O
GLN
296
4.708
7.181
19.453
1.00
23.44

ATOM
584
N
HIS
297
6.980
7.222
19.568
1.00
20.36

ATOM
585
H
HIS
297
7.770
7.784
19.717
1.00
0.00

ATOM
586
CA
HIS
297
7.142
5.808
19.259
1.00
18.42

ATOM
587
CB
HIS
297
6.787
5.563
17.843
1.00
17.58

ATOM
588
CG
HIS
297
6.618
4.114
17.509
1.00
17.88

ATOM
589
CD2
HIS
297
5.513
3.327
17.474
1.00
17.64

ATOM
590
ND1
HIS
297
7.688
3.293
17.216
1.00
18.95

ATOM
591
CE1
HIS
297
7.254
2.057
17.025
1.00
20.21

ATOM
592
NE2
HIS
297
5.931
2.055
17.168
1.00
19.58

ATOM
593
HE2
HIS
297
5.350
1.272
17.113
1.00
0.00

ATOM
594
C
HIS
297
8.583
5.395
19.530
1.00
17.74

ATOM
595
O
HIS
297
9.484
6.244
19.444
1.00
21.81

ATOM
596
N
GLN
298
8.833
4.121
19.816
1.00
14.35

ATOM
597
H
GLN
298
8.112
3.454
19.859
1.00
0.00

ATOM
598
CA
GLN
298
10.217
3.712
20.063
1.00
14.22

ATOM
599
CB
GLN
298
10.347
2.217
20.473
1.00
16.70

ATOM
600
CG
GLN
298
9.798
1.886
21.879
1.00
16.65

ATOM
601
CD
GLN
298
10.489
2.623
23.001
1.00
15.56

ATOM
602
OE1
GLN
298
9.837
3.159
23.835
1.00
19.19

ATOM
603
NE2
GLN
298
11.847
2.599
23.035
1.00
13.65

ATOM
604
HE21
GLN
298
12.301
2.123
22.322
1.00
0.00

ATOM
605
HE22
GLN
298
12.313
3.049
23.776
1.00
0.00

ATOM
606
C
GLN
298
11.101
3.945
18.844
1.00
14.59

ATOM
607
O
GLN
298
12.186
4.407
18.990
1.00
15.43

ATOM
608
N
ARG
299
10.573
3.688
17.638
1.00
15.71

ATOM
609
H
ARG
299
9.646
3.378
17.603
1.00
0.00

ATOM
610
CA
ARG
299
11.328
3.844
16.389
1.00
11.69

ATOM
611
CB
ARG
299
10.657
3.015
15.303
1.00
12.71

ATOM
612
CG
ARG
299
10.610
1.514
15.586
1.00
13.02

ATOM
613
CD
ARG
299
11.928
0.735
15.226
1.00
11.49

ATOM
614
NE
ARG
299
13.151
1.214
15.861
1.00
12.05

ATOM
615
HE
ARG
299
13.764
1.724
15.295
1.00
0.00

ATOM
616
CZ
ARG
299
13.484
1.048
17.142
1.00
11.88

ATOM
617
NH1
ARG
299
12.707
0.388
17.988
1.00
13.13

ATOM
618
HH11
ARG
299
11.825
−0.001
17.697
1.00
0.00

ATOM
619
HH12
ARG
299
12.989
0.284
18.937
1.00
0.00

ATOM
620
NH2
ARG
299
14.616
1.592
17.597
1.00
12.09

ATOM
621
HH21
ARG
299
15.180
2.117
16.978
1.00
0.00

ATOM
622
HH22
ARG
299
14.867
1.473
18.554
1.00
0.00

ATOM
623
C
ARG
299
11.531
5.286
15.934
1.00
11.74

ATOM
624
O
ARG
299
12.064
5.517
14.913
1.00
10.80

ATOM
625
N
LEU
300
11.091
6.251
16.741
1.00
13.22

ATOM
626
H
LEU
300
10.678
6.012
17.596
1.00
0.00

ATOM
627
CA
LEU
300
11.246
7.669
16.424
1.00
14.77

ATOM
628
CB
LEU
300
9.832
8.389
16.112
1.00
14.14

ATOM
629
CG
LEU
300
9.145
8.384
14.714
1.00
12.62

ATOM
630
CD1
LEU
300
8.821
6.969
14.224
1.00
12.47

ATOM
631
CD2
LEU
300
7.860
9.212
14.805
1.00
13.61

ATOM
632
C
LEU
300
11.898
8.428
17.598
1.00
15.47

ATOM
633
O
LEU
300
11.468
8.300
18.753
1.00
16.31

ATOM
634
N
VAL
301
12.876
9.252
17.220
1.00
16.35

ATOM
635
H
VAL
301
13.133
9.273
16.283
1.00
0.00

ATOM
636
CA
VAL
301
13.658
10.136
18.066
1.00
16.88

ATOM
637
CB
VAL
301
14.478
11.064
17.144
1.00
16.24

ATOM
638
CG1
VAL
301
14.930
12.319
17.851
1.00
19.87

ATOM
639
CG2
VAL
301
15.644
10.321
16.609
1.00
16.35

ATOM
640
C
VAL
301
12.680
10.911
18.969
1.00
16.78

ATOM
641
O
VAL
301
11.939
11.719
18.507
1.00
18.12

ATOM
642
N
ARG
302
12.770
10.668
20.271
1.00
16.95

ATOM
643
H
ARG
302
13.494
10.114
20.596
1.00
0.00

ATOM
644
CA
ARG
302
11.873
11.246
21.253
1.00
17.90

ATOM
645
CB
ARG
302
11.693
10.257
22.457
1.00
21.79

ATOM
646
CG
ARG
302
10.737
10.753
23.567
1.00
25.25

ATOM
647
CD
ARG
302
10.579
9.674
24.665
1.00
33.06

ATOM
648
NE
ARG
302
10.409
10.286
25.994
1.00
38.30

ATOM
649
HE
ARG
302
11.230
10.429
26.503
1.00
0.00

ATOM
650
CZ
ARG
302
9.254
10.706
26.498
1.00
40.38

ATOM
651
NH1
ARG
302
9.221
11.255
27.693
1.00
43.38

ATOM
652
HH11
ARG
302
10.090
11.340
28.195
1.00
0.00

ATOM
653
HH12
ARG
302
8.363
11.542
28.119
1.00
0.00

ATOM
654
NH2
ARG
302
8.126
10.563
25.822
1.00
43.96

ATOM
655
HH21
ARG
302
8.133
10.119
24.926
1.00
0.00

ATOM
656
HH22
ARG
302
7.269
10.841
26.254
1.00
0.00

ATOM
657
C
ARG
302
12.177
12.614
21.773
1.00
16.88

ATOM
658
O
ARG
302
13.273
12.900
22.133
1.00
16.17

ATOM
659
N
LEU
303
11.162
13.470
21.763
1.00
16.64

ATOM
660
H
LEU
303
10.290
13.169
21.435
1.00
0.00

ATOM
661
CA
LEU
303
11.284
14.834
22.278
1.00
16.50

ATOM
662
CB
LEU
303
10.083
15.653
21.900
1.00
15.71

ATOM
663
CG
LEU
303
10.001
17.069
22.508
1.00
13.91

ATOM
664
CD1
LEU
303
11.081
17.994
21.892
1.00
14.06

ATOM
665
CD2
LEU
303
8.634
17.619
22.269
1.00
10.68

ATOM
666
C
LEU
303
11.352
14.699
23.807
1.00
17.77

ATOM
667
O
LEU
303
10.681
13.867
24.388
1.00
18.57

ATOM
668
N
TYR
304
12.235
15.461
24.432
1.00
18.53

ATOM
669
H
TYR
304
12.826
16.034
23.912
1.00
0.00

ATOM
670
CA
TYR
304
12.411
15.404
25.862
1.00
18.86

ATOM
671
CB
TYR
304
13.870
15.297
26.208
1.00
20.66

ATOM
672
CG
TYR
304
14.390
13.917
26.204
1.00
22.68

ATOM
673
CD1
TYR
304
13.748
12.899
25.460
1.00
21.88

ATOM
674
CE1
TYR
304
14.230
11.644
25.412
1.00
21.76

ATOM
675
CD2
TYR
304
15.545
13.603
26.898
1.00
23.53

ATOM
676
CE2
TYR
304
16.063
12.306
26.849
1.00
25.30

ATOM
677
CZ
TYR
304
15.394
11.331
26.105
1.00
24.25

ATOM
678
OH
TYR
304
15.900
10.055
26.083
1.00
24.90

ATOM
679
HH
TYR
304
15.405
9.479
25.488
1.00
0.00

ATOM
680
C
TYR
304
11.898
16.657
26.523
1.00
18.75

ATOM
681
O
TYR
304
11.090
16.579
27.368
1.00
18.89

ATOM
682
N
ALA
305
12.416
17.799
26.072
1.00
18.81

ATOM
683
H
ALA
305
13.031
17.774
25.304
1.00
0.00

ATOM
684
CA
ALA
305
12.102
19.109
26.622
1.00
18.80

ATOM
685
CB
ALA
305
12.977
19.366
27.827
1.00
17.61

ATOM
686
C
ALA
305
12.349
20.213
25.613
1.00
18.57

ATOM
687
O
ALA
305
12.833
19.970
24.575
1.00
18.25

ATOM
688
N
VAL
306
11.934
21.427
25.953
1.00
20.70

ATOM
689
H
VAL
306
11.452
21.560
26.807
1.00
0.00

ATOM
690
CA
VAL
306
12.162
22.580
25.106
1.00
21.80

ATOM
691
CB
VAL
306
10.882
23.017
24.305
1.00
23.54

ATOM
692
CG1
VAL
306
10.486
21.926
23.256
1.00
24.13

ATOM
693
CG2
VAL
306
9.701
23.281
25.249
1.00
21.93

ATOM
694
C
VAL
306
12.565
23.725
26.010
1.00
22.84

ATOM
695
O
VAL
306
12.322
23.678
27.243
1.00
21.28

ATOM
696
N
VAL
307
13.291
24.680
25.433
1.00
25.20

ATOM
697
H
VAL
307
13.572
24.553
24.504
1.00
0.00

ATOM
698
CA
VAL
307
13.659
25.918
26.133
1.00
25.44

ATOM
699
CB
VAL
307
15.164
26.100
26.372
1.00
22.38

ATOM
700
CG1
VAL
307
15.377
27.493
26.954
1.00
24.06

ATOM
701
CG2
VAL
307
15.705
25.055
27.392
1.00
20.98

ATOM
702
C
VAL
307
13.156
27.025
25.171
1.00
27.82

ATOM
703
O
VAL
307
13.834
27.359
24.165
1.00
27.48

ATOM
704
N
THR
308
11.966
27.564
25.460
1.00
29.39

ATOM
705
H
THR
308
11.440
27.223
26.204
1.00
0.00

ATOM
706
CA
THR
308
11.337
28.607
24.628
1.00
33.15

ATOM
707
CB
THR
308
9.907
28.770
24.956
1.00
33.32

ATOM
708
OG1
THR
308
9.823
29.195
26.320
1.00
37.00

ATOM
709
HG1
THR
308
10.193
28.487
26.832
1.00
0.00

ATOM
710
CG2
THR
308
9.156
27.483
24.748
1.00
34.16

ATOM
711
C
THR
308
11.861
30.028
24.757
1.00
35.21

ATOM
712
O
THR
308
11.168
30.970
24.338
1.00
37.35

ATOM
713
N
ALA
309
12.997
30.224
25.421
1.00
37.05

ATOM
714
H
ALA
309
13.320
29.461
25.955
1.00
0.00

ATOM
715
CA
ALA
309
13.536
31.569
25.521
1.00
35.59

ATOM
716
CB
ALA
309
13.622
32.029
27.004
1.00
37.11

ATOM
717
C
ALA
309
14.894
31.578
24.836
1.00
36.48

ATOM
718
O
ALA
309
15.694
30.563
24.886
1.00
36.40

ATOM
719
N
GLU
310
15.166
32.682
24.151
1.00
35.90

ATOM
720
H
GLU
310
14.537
33.417
24.244
1.00
0.00

ATOM
721
CA
GLU
310
16.385
32.790
23.383
1.00
37.76

ATOM
722
CB
GLU
310
16.391
34.089
22.528
1.00
41.96

ATOM
723
CG
GLU
310
15.421
34.046
21.311
1.00
48.01

ATOM
724
CD
GLU
310
15.625
35.213
20.296
1.00
52.72

ATOM
725
OE1
GLU
310
16.699
35.895
20.306
1.00
53.88

ATOM
726
OE2
GLU
310
14.696
35.450
19.482
1.00
52.57

ATOM
727
C
GLU
310
17.648
32.661
24.218
1.00
37.15

ATOM
728
O
GLU
310
17.734
33.219
25.328
1.00
35.79

ATOM
729
N
PRO
311
18.602
31.831
23.743
1.00
36.18

ATOM
730
CD
PRO
311
19.954
31.655
24.304
1.00
35.88

ATOM
731
CA
PRO
311
18.443
31.069
22.492
1.00
35.27

ATOM
732
CB
PRO
311
19.835
30.722
22.153
1.00
34.19

ATOM
733
CG
PRO
311
20.461
30.474
23.509
1.00
35.00

ATOM
734
C
PRO
311
17.539
29.835
22.723
1.00
34.57

ATOM
735
O
PRO
311
17.597
29.225
23.784
1.00
33.85

ATOM
736
N
ILE
312
16.610
29.579
21.792
1.00
33.72

ATOM
737
H
ILE
312
16.553
30.165
21.004
1.00
0.00

ATOM
738
CA
ILE
312
15.654
28.467
21.893
1.00
31.65

ATOM
739
CB
ILE
312
14.544
28.579
20.827
1.00
32.02

ATOM
740
CG2
ILE
312
13.412
27.641
21.154
1.00
33.27

ATOM
741
CG1
ILE
312
13.929
29.917
20.822
1.00
34.48

ATOM
742
CD1
ILE
312
12.902
30.070
19.652
1.00
34.97

ATOM
743
C
ILE
312
16.313
27.092
21.713
1.00
29.71

ATOM
744
O
ILE
312
17.141
26.887
20.816
1.00
28.61

ATOM
745
N
TYR
313
15.869
26.128
22.514
1.00
27.38

ATOM
746
H
TYR
313
15.182
26.320
23.179
1.00
0.00

ATOM
747
CA
TYR
313
16.400
24.779
22.440
1.00
25.13

ATOM
748
CB
TYR
313
17.125
24.367
23.747
1.00
26.49

ATOM
749
CG
TYR
313
18.472
25.007
23.976
1.00
30.71

ATOM
750
CD1
TYR
313
19.237
25.493
22.904
1.00
32.53

ATOM
751
CE1
TYR
313
20.403
26.210
23.125
1.00
35.17

ATOM
752
CD2
TYR
313
18.926
25.239
25.271
1.00
32.94

ATOM
753
CE2
TYR
313
20.085
25.951
25.513
1.00
35.88

ATOM
754
CZ
TYR
313
20.824
26.436
24.435
1.00
37.91

ATOM
755
OH
TYR
313
21.995
27.128
24.670
1.00
41.16

ATOM
756
HH
TYR
313
22.452
27.287
23.833
1.00
0.00

ATOM
757
C
TYR
313
15.281
23.810
22.238
1.00
23.94

ATOM
758
O
TYR
313
14.203
24.075
22.633
1.00
21.65

ATOM
759
N
ILE
314
15.585
22.729
21.517
1.00
22.39

ATOM
760
H
ILE
314
16.472
22.693
21.100
1.00
0.00

ATOM
761
CA
ILE
314
14.697
21.576
21.315
1.00
20.08

ATOM
762
CB
ILE
314
14.365
21.265
19.814
1.00
18.92

ATOM
763
CG2
ILE
314
13.588
19.961
19.737
1.00
18.26

ATOM
764
CG1
ILE
314
13.461
22.412
19.198
1.00
18.36

ATOM
765
CD1
ILE
314
13.068
22.153
17.716
1.00
18.45

ATOM
766
C
ILE
314
15.601
20.444
21.857
1.00
19.64

ATOM
767
O
ILE
314
16.688
20.201
21.312
1.00
18.13

ATOM
768
N
ILE
315
15.225
19.883
23.004
1.00
19.17

ATOM
769
H
ILE
315
14.441
20.225
23.474
1.00
0.00

ATOM
770
CA
ILE
315
16.001
18.824
23.633
1.00
18.77

ATOM
771
CB
ILE
315
16.040
18.987
25.195
1.00
17.99

ATOM
772
CG2
ILE
315
16.795
17.806
25.863
1.00
13.41

ATOM
773
CG1
ILE
315
16.722
20.334
25.585
1.00
18.52

ATOM
774
CD1
ILE
315
15.859
21.516
25.358
1.00
17.63

ATOM
775
C
ILE
315
15.369
17.487
23.267
1.00
19.13

ATOM
776
O
ILE
315
14.175
17.347
23.303
1.00
19.01

ATOM
777
N
THR
316
16.187
16.533
22.858
1.00
18.35

ATOM
778
H
THR
316
17.137
16.707
22.801
1.00
0.00

ATOM
779
CA
THR
316
15.688
15.233
22.488
1.00
17.80

ATOM
780
CB
THR
316
15.574
15.101
20.932
1.00
19.07

ATOM
781
OG1
THR
316
16.837
14.725
20.380
1.00
19.50

ATOM
782
HG1
THR
316
16.983
13.797
20.563
1.00
0.00

ATOM
783
CG2
THR
316
15.165
16.430
20.307
1.00
21.32

ATOM
784
C
THR
316
16.598
14.116
22.967
1.00
16.96

ATOM
785
O
THR
316
17.738
14.347
23.459
1.00
17.28

ATOM
786
N
GLU
317
16.123
12.906
22.697
1.00
18.19

ATOM
787
H
GLU
317
15.246
12.866
22.261
1.00
0.00

ATOM
788
CA
GLU
317
16.775
11.644
22.979
1.00
18.18

ATOM
789
CB
GLU
317
15.863
10.567
22.486
1.00
21.43

ATOM
790
CG
GLU
317
16.240
9.112
22.735
1.00
20.77

ATOM
791
CD
GLU
317
15.266
8.133
22.015
1.00
20.87

ATOM
792
OE1
GLU
317
14.509
8.531
21.084
1.00
20.70

ATOM
793
OE2
GLU
317
15.279
6.954
22.396
1.00
23.47

ATOM
794
C
GLU
317
18.119
11.605
22.220
1.00
19.03

ATOM
795
O
GLU
317
18.249
12.118
21.108
1.00
16.15

ATOM
796
N
TYR
318
19.138
11.082
22.899
1.00
19.23

ATOM
797
H
TYR
318
18.971
10.787
23.806
1.00
0.00

ATOM
798
CA
TYR
318
20.481
10.970
22.337
1.00
17.80

ATOM
799
CB
TYR
318
21.559
11.287
23.428
1.00
16.40

ATOM
800
CG
TYR
318
22.986
11.059
22.954
1.00
18.07

ATOM
801
CD1
TYR
318
23.570
11.909
22.009
1.00
18.65

ATOM
802
CE1
TYR
318
24.891
11.784
21.634
1.00
17.24

ATOM
803
CD2
TYR
318
23.781
10.047
23.509
1.00
19.04

ATOM
804
CE2
TYR
318
25.107
9.906
23.150
1.00
19.67

ATOM
805
CZ
TYR
318
25.656
10.794
22.204
1.00
21.81

ATOM
806
OH
TYR
318
26.998
10.708
21.863
1.00
25.47

ATOM
807
HH
TYR
318
27.173
11.403
21.229
1.00
0.00

ATOM
808
C
TYR
318
20.712
9.572
21.713
1.00
16.78

ATOM
809
O
TYR
318
20.351
8.535
22.295
1.00
15.23

ATOM
810
N
MET
319
21.302
9.572
20.521
1.00
16.17

ATOM
811
H
MET
319
21.601
10.428
20.179
1.00
0.00

ATOM
812
CA
MET
319
21.579
8.351
19.767
1.00
16.70

ATOM
813
CB
MET
319
20.904
8.411
18.438
1.00
17.33

ATOM
814
CG
MET
319
19.414
8.674
18.529
1.00
16.69

ATOM
815
SD
MET
319
18.582
7.326
19.365
1.00
21.93

ATOM
816
CE
MET
319
18.723
6.049
18.139
1.00
14.01

ATOM
817
C
MET
319
23.080
8.293
19.620
1.00
16.49

ATOM
818
O
MET
319
23.659
8.940
18.794
1.00
20.86

ATOM
819
N
GLU
320
23.681
7.442
20.423
1.00
17.33

ATOM
820
H
GLU
320
23.155
6.830
20.963
1.00
0.00

ATOM
821
CA
GLU
320
25.111
7.338
20.521
1.00
18.76

ATOM
822
CB
GLU
320
25.436
6.380
21.602
1.00
21.01

ATOM
823
CG
GLU
320
26.865
6.472
22.097
1.00
29.29

ATOM
824
CD
GLU
320
27.114
5.528
23.269
1.00
33.89

ATOM
825
OE1
GLU
320
26.606
5.822
24.396
1.00
36.36

ATOM
826
OE2
GLU
320
27.799
4.496
23.024
1.00
34.79

ATOM
827
C
GLU
320
25.946
7.061
19.274
1.00
18.94

ATOM
828
O
GLU
320
27.092
7.460
19.226
1.00
19.98

ATOM
829
N
ASN
321
25.374
6.381
18.282
1.00
17.68

ATOM
830
H
ASN
321
24.450
6.060
18.333
1.00
0.00

ATOM
831
CA
ASN
321
26.137
6.077
17.103
1.00
17.26

ATOM
832
CB
ASN
321
25.987
4.510
16.676
1.00
16.82

ATOM
833
CG
ASN
321
26.904
3.605
17.495
1.00
19.11

ATOM
834
OD1
ASN
321
28.113
3.867
17.584
1.00
23.10

ATOM
835
ND2
ASN
321
26.352
2.564
18.100
1.00
16.64

ATOM
836
HD21
ASN
321
25.392
2.440
17.955
1.00
0.00

ATOM
837
HD22
ASN
321
26.920
1.965
18.634
1.00
0.00

ATOM
838
C
ASN
321
25.890
6.973
15.925
1.00
18.43

ATOM
839
O
ASN
321
26.307
6.616
14.854
1.00
20.02

ATOM
840
N
GLY
322
25.222
8.119
16.115
1.00
17.51

ATOM
841
H
GLY
322
24.919
8.314
17.024
1.00
0.00

ATOM
842
CA
GLY
322
25.011
9.051
15.009
1.00
18.26

ATOM
843
C
GLY
322
24.191
8.644
13.765
1.00
19.16

ATOM
844
O
GLY
322
23.315
7.782
13.826
1.00
18.68

ATOM
845
N
SER
323
24.410
9.349
12.658
1.00
18.83

ATOM
846
H
SER
323
25.044
10.105
12.707
1.00
0.00

ATOM
847
CA
SER
323
23.696
9.046
11.425
1.00
19.56

ATOM
848
CB
SER
323
24.023
10.028
10.336
1.00
19.82

ATOM
849
OG
SER
323
23.451
11.278
10.607
1.00
27.48

ATOM
850
HG
SER
323
23.603
11.493
11.545
1.00
0.00

ATOM
851
C
SER
323
24.055
7.697
10.872
1.00
17.95

ATOM
852
O
SER
323
25.187
7.334
10.849
1.00
18.23

ATOM
853
N
LEU
324
23.056
6.988
10.396
1.00
17.91

ATOM
854
H
LEU
324
22.149
7.342
10.440
1.00
0.00

ATOM
855
CA
LEU
324
23.258
5.699
9.726
1.00
17.28

ATOM
856
CB
LEU
324
21.963
5.241
9.198
1.00
14.81

ATOM
857
CG
LEU
324
21.916
3.884
8.455
1.00
15.26

ATOM
858
CD1
LEU
324
22.439
2.794
9.393
1.00
12.51

ATOM
859
CD2
LEU
324
20.495
3.607
7.970
1.00
12.49

ATOM
860
C
LEU
324
24.237
5.904
8.523
1.00
18.39

ATOM
861
O
LEU
324
25.095
5.100
8.297
1.00
19.31

ATOM
862
N
VAL
325
24.108
7.001
7.773
1.00
17.77

ATOM
863
H
VAL
325
23.403
7.647
7.954
1.00
0.00

ATOM
864
CA
VAL
325
25.012
7.183
6.624
1.00
18.83

ATOM
865
CB
VAL
325
24.500
8.322
5.654
1.00
19.64

ATOM
866
CG1
VAL
325
24.658
9.709
6.280
1.00
21.91

ATOM
867
CG2
VAL
325
25.143
8.202
4.254
1.00
20.15

ATOM
868
C
VAL
325
26.506
7.244
6.968
1.00
18.57

ATOM
869
O
VAL
325
27.349
6.593
6.283
1.00
17.37

ATOM
870
N
ASP
326
26.818
7.813
8.134
1.00
18.53

ATOM
871
H
ASP
326
26.070
8.137
8.668
1.00
0.00

ATOM
872
CA
ASP
326
28.191
7.943
8.616
1.00
16.82

ATOM
873
CB
ASP
326
28.311
9.130
9.599
1.00
17.28

ATOM
874
CG
ASP
326
27.927
10.464
8.976
1.00
17.77

ATOM
875
OD1
ASP
326
27.955
10.593
7.731
1.00
18.64

ATOM
876
OD2
ASP
326
27.613
11.406
9.747
1.00
20.85

ATOM
877
C
ASP
326
28.615
6.689
9.341
1.00
17.74

ATOM
878
O
ASP
326
29.745
6.244
9.213
1.00
21.11

ATOM
879
N
PHE
327
27.729
6.127
10.141
1.00
16.30

ATOM
880
H
PHE
327
26.844
6.523
10.248
1.00
0.00

ATOM
881
CA
PHE
327
28.077
4.939
10.889
1.00
17.00

ATOM
882
CB
PHE
327
26.885
4.534
11.924
1.00
15.93

ATOM
883
CG
PHE
327
27.133
3.257
12.675
1.00
14.46

ATOM
884
CD1
PHE
327
27.931
3.243
13.812
1.00
13.77

ATOM
885
CD2
PHE
327
26.569
2.055
12.240
1.00
16.20

ATOM
886
CE1
PHE
327
28.161
2.060
14.493
1.00
12.57

ATOM
887
CE2
PHE
327
26.800
0.855
12.923
1.00
12.13

ATOM
888
CZ
PHE
327
27.600
0.870
14.051
1.00
12.00

ATOM
889
C
PHE
327
28.445
3.740
9.997
1.00
18.19

ATOM
890
O
PHE
327
29.409
3.032
10.295
1.00
20.59

ATOM
891
N
LEU
328
27.726
3.553
8.881
1.00
18.04

ATOM
892
H
LEU
328
27.063
4.239
8.664
1.00
0.00

ATOM
893
CA
LEU
328
27.980
2.413
7.987
1.00
16.38

ATOM
894
CB
LEU
328
26.975
2.391
6.850
1.00
18.15

ATOM
895
CG
LEU
328
25.548
2.206
7.292
1.00
17.33

ATOM
896
CD1
LEU
328
24.672
2.464
6.103
1.00
18.29

ATOM
897
CD2
LEU
328
25.340
0.783
7.874
1.00
17.14

ATOM
898
C
LEU
328
29.371
2.423
7.412
1.00
16.98

ATOM
899
O
LEU
328
29.824
1.395
6.902
1.00
17.22

ATOM
900
N
LYS
329
30.006
3.603
7.447
1.00
20.41

ATOM
901
H
LYS
329
29.574
4.380
7.851
1.00
0.00

ATOM
902
CA
LYS
329
31.383
3.871
6.948
1.00
21.58

ATOM
903
CB
LYS
329
31.460
5.323
6.382
1.00
20.37

ATOM
904
CG
LYS
329
30.740
5.512
5.054
1.00
20.77

ATOM
905
CD
LYS
329
30.559
6.988
4.743
1.00
24.42

ATOM
906
CE
LYS
329
29.789
7.107
3.433
1.00
25.19

ATOM
907
NZ
LYS
329
28.984
8.369
3.433
1.00
31.55

ATOM
908
HZ1
LYS
329
29.793
9.037
3.323
1.00
0.00

ATOM
909
HZ2
LYS
329
28.605
8.714
4.344
1.00
0.00

ATOM
910
HZ3
LYS
329
28.355
8.569
2.637
1.00
0.00

ATOM
911
C
LYS
329
32.452
3.742
8.047
1.00
22.44

ATOM
912
O
LYS
329
33.616
3.899
7.789
1.00
24.59

ATOM
913
N
THR
330
32.036
3.558
9.293
1.00
22.77

ATOM
914
H
THR
330
31.093
3.585
9.502
1.00
0.00

ATOM
915
CA
THR
330
33.006
3.426
10.360
1.00
23.69

ATOM
916
CB
THR
330
32.393
3.825
11.707
1.00
21.93

ATOM
917
OG1
THR
330
31.335
2.932
12.050
1.00
19.28

ATOM
918
HG1
THR
330
30.981
3.213
12.898
1.00
0.00

ATOM
919
CG2
THR
330
31.862
5.244
11.646
1.00
21.79

ATOM
920
C
THR
330
33.544
1.986
10.373
1.00
26.02

ATOM
921
O
THR
330
33.087
1.166
9.629
1.00
25.92

ATOM
922
N
PRO
331
34.547
1.687
11.210
1.00
29.76

ATOM
923
CD
PRO
331
35.197
2.549
12.218
1.00
30.00

ATOM
924
CA
PRO
331
35.088
0.308
11.240
1.00
31.69

ATOM
925
CB
PRO
331
36.186
0.380
12.375
1.00
31.79

ATOM
926
CG
PRO
331
36.530
1.816
12.470
1.00
31.64

ATOM
927
C
PRO
331
33.996
−0.664
11.678
1.00
32.18

ATOM
928
O
PRO
331
33.857
−1.791
11.170
1.00
32.22

ATOM
929
N
SER
332
33.232
−0.181
12.645
1.00
31.88

ATOM
930
H
SER
332
33.420
0.719
12.993
1.00
0.00

ATOM
931
CA
SER
332
32.143
−0.891
13.264
1.00
31.66

ATOM
932
CB
SER
332
31.650
−0.012
14.399
1.00
34.70

ATOM
933
OG
SER
332
30.835
−0.727
15.302
1.00
43.92

ATOM
934
HG
SER
332
30.105
−1.164
14.834
1.00
0.00

ATOM
935
C
SER
332
31.010
−1.174
12.266
1.00
29.59

ATOM
936
O
SER
332
30.415
−2.225
12.322
1.00
29.48

ATOM
937
N
GLY
333
30.727
−0.205
11.378
1.00
27.71

ATOM
938
H
GLY
333
31.239
0.624
11.414
1.00
0.00

ATOM
939
CA
GLY
333
29.655
−0.350
10.393
1.00
24.87

ATOM
940
C
GLY
333
30.023
−1.144
9.153
1.00
25.10

ATOM
941
O
GLY
333
29.201
−1.821
8.548
1.00
23.10

ATOM
942
N
ILE
334
31.278
−1.042
8.757
1.00
25.33

ATOM
943
H
ILE
334
31.895
−0.470
9.260
1.00
0.00

ATOM
944
CA
ILE
334
31.763
−1.758
7.598
1.00
26.30

ATOM
945
CB
ILE
334
33.221
−1.368
7.353
1.00
28.35

ATOM
946
CG2
ILE
334
34.004
−2.449
6.599
1.00
31.63

ATOM
947
CG1
ILE
334
33.240
−0.035
6.701
1.00
29.59

ATOM
948
CD1
ILE
334
34.619
0.643
6.784
1.00
34.90

ATOM
949
C
ILE
334
31.613
−3.254
7.860
1.00
25.84

ATOM
950
O
ILE
334
31.312
−3.989
6.964
1.00
28.47

ATOM
951
N
LYS
335
31.717
−3.638
9.131
1.00
25.42

ATOM
952
H
LYS
335
31.858
−2.957
9.828
1.00
0.00

ATOM
953
CA
LYS
335
31.594
−5.013
9.581
1.00
27.57

ATOM
954
CB
LYS
335
32.092
−5.100
11.088
1.00
29.30

ATOM
955
CG
LYS
335
33.601
−4.790
11.272
1.00
35.17

ATOM
956
CD
LYS
335
34.083
−4.957
12.738
1.00
34.53

ATOM
957
CE
LYS
335
35.572
−4.582
12.867
1.00
37.74

ATOM
958
NZ
LYS
335
36.618
−5.461
12.168
1.00
37.33

ATOM
959
HZ1
LYS
335
36.388
−5.398
11.156
1.00
0.00

ATOM
960
HZ2
LYS
335
36.523
−6.431
12.527
1.00
0.00

ATOM
961
HZ3
LYS
335
37.540
−5.032
12.364
1.00
0.00

ATOM
962
C
LYS
335
30.173
−5.637
9.491
1.00
27.39

ATOM
963
O
LYS
335
30.046
−6.798
9.308
1.00
30.36

ATOM
964
N
LEU
336
29.121
−4.839
9.619
1.00
25.47

ATOM
965
H
LEU
336
29.299
−3.875
9.726
1.00
0.00

ATOM
966
CA
LEU
336
27.735
−5.337
9.573
1.00
21.47

ATOM
967
CB
LEU
336
26.726
−4.166
9.517
1.00
17.84

ATOM
968
CG
LEU
336
26.919
−3.072
10.651
1.00
17.56

ATOM
969
CD1
LEU
336
25.706
−2.163
10.726
1.00
18.47

ATOM
970
CD2
LEU
336
27.199
−3.686
12.008
1.00
16.16

ATOM
971
C
LEU
336
27.449
−6.291
8.437
1.00
21.33

ATOM
972
O
LEU
336
27.808
−6.026
7.313
1.00
21.99

ATOM
973
N
THR
337
26.831
−7.429
8.741
1.00
20.66

ATOM
974
H
THR
337
26.598
−7.606
9.679
1.00
0.00

ATOM
975
CA
THR
337
26.483
−8.405
7.698
1.00
18.57

ATOM
976
CB
THR
337
26.254
−9.803
8.321
1.00
19.06

ATOM
977
OG1
THR
337
25.262
−9.710
9.360
1.00
20.19

ATOM
978
HG1
THR
337
25.472
−9.003
9.976
1.00
0.00

ATOM
979
CG2
THR
337
27.555
−10.334
8.893
1.00
20.79

ATOM
980
C
THR
337
25.173
−7.999
7.033
1.00
17.28

ATOM
981
O
THR
337
24.425
−7.191
7.595
1.00
19.39

ATOM
982
N
ILE
338
24.865
−8.589
5.876
1.00
16.40

ATOM
983
H
ILE
338
25.491
−9.224
5.474
1.00
0.00

ATOM
984
CA
ILE
338
23.594
−8.301
5.175
1.00
17.59

ATOM
985
CB
ILE
338
23.458
−9.084
3.836
1.00
17.52

ATOM
986
CG2
ILE
338
23.564
−10.609
4.076
1.00
17.67

ATOM
987
CG1
ILE
338
22.149
−8.716
3.117
1.00
15.36

ATOM
988
CD1
ILE
338
22.068
−7.237
2.591
1.00
14.19

ATOM
989
C
ILE
338
22.384
−8.624
6.083
1.00
17.65

ATOM
990
O
ILE
338
21.340
−7.965
5.986
1.00
19.19

ATOM
991
N
ASN
339
22.572
−9.543
7.033
1.00
15.84

ATOM
992
H
ASN
339
23.446
−9.979
7.117
1.00
0.00

ATOM
993
CA
ASN
339
21.486
−9.888
7.947
1.00
15.65

ATOM
994
CB
ASN
339
21.720
−11.246
8.679
1.00
15.18

ATOM
995
CG
ASN
339
20.681
−11.493
9.818
1.00
17.06

ATOM
996
OD1
ASN
339
20.944
−11.177
10.981
1.00
19.11

ATOM
997
ND2
ASN
339
19.500
−12.063
9.467
1.00
14.64

ATOM
998
HD21
ASN
339
19.365
−12.288
8.524
1.00
0.00

ATOM
999
HD22
ASN
339
18.851
−12.231
10.179
1.00
0.00

ATOM
1000
C
ASN
339
21.149
−8.747
8.927
1.00
15.01

ATOM
1001
O
ASN
339
20.010
−8.518
9.237
1.00
14.72

ATOM
1002
N
LYS
340
22.160
−8.013
9.355
1.00
14.54

ATOM
1003
H
LYS
340
23.074
−8.229
9.061
1.00
0.00

ATOM
1004
CA
LYS
340
21.955
−6.886
10.240
1.00
14.31

ATOM
1005
CB
LYS
340
23.251
−6.551
10.980
1.00
14.58

ATOM
1006
CG
LYS
340
23.151
−5.342
11.929
1.00
11.64

ATOM
1007
CD
LYS
340
22.142
−5.521
13.019
1.00
12.23

ATOM
1008
CE
LYS
340
22.053
−4.313
13.925
1.00
7.82

ATOM
1009
NZ
LYS
340
20.972
−4.440
14.933
1.00
11.78

ATOM
1010
HZ1
LYS
340
21.107
−5.303
15.487
1.00
0.00

ATOM
1011
HZ2
LYS
340
20.055
−4.464
14.446
1.00
0.00

ATOM
1012
HZ3
LYS
340
20.995
−3.606
15.554
1.00
0.00

ATOM
1013
C
LYS
340
21.479
−5.675
9.391
1.00
15.43

ATOM
1014
O
LYS
340
20.695
−4.882
9.838
1.00
18.80

ATOM
1015
N
LEU
341
21.943
−5.579
8.148
1.00
16.15

ATOM
1016
H
LEU
341
22.547
−6.265
7.812
1.00
0.00

ATOM
1017
CA
LEU
341
21.526
−4.489
7.278
1.00
17.07

ATOM
1018
CB
LEU
341
22.394
−4.453
5.942
1.00
20.38

ATOM
1019
CG
LEU
341
23.892
−4.240
6.151
1.00
20.24

ATOM
1020
CD1
LEU
341
24.621
−4.272
4.779
1.00
22.36

ATOM
1021
CD2
LEU
341
24.106
−2.894
6.881
1.00
18.14

ATOM
1022
C
LEU
341
20.028
−4.599
6.995
1.00
15.99

ATOM
1023
O
LEU
341
19.307
−3.614
7.060
1.00
18.43

ATOM
1024
N
LEU
342
19.557
−5.829
6.828
1.00
15.03

ATOM
1025
H
LEU
342
20.162
−6.598
6.893
1.00
0.00

ATOM
1026
CA
LEU
342
18.125
−6.097
6.581
1.00
13.07

ATOM
1027
CB
LEU
342
17.943
−7.503
6.153
1.00
14.48

ATOM
1028
CG
LEU
342
18.432
−7.832
4.797
1.00
12.52

ATOM
1029
CD1
LEU
342
18.425
−9.341
4.615
1.00
10.60

ATOM
1030
CD2
LEU
342
17.554
−7.149
3.746
1.00
12.53

ATOM
1031
C
LEU
342
17.298
−5.817
7.856
1.00
13.32

ATOM
1032
O
LEU
342
16.291
−5.265
7.791
1.00
14.77

ATOM
1033
N
ASP
343
17.833
−6.187
9.018
1.00
15.33

ATOM
1034
H
ASP
343
18.705
−6.631
9.005
1.00
0.00

ATOM
1035
CA
ASP
343
17.189
−5.940
10.313
1.00
16.19

ATOM
1036
CB
ASP
343
18.123
−6.485
11.430
1.00
16.89

ATOM
1037
CG
ASP
343
17.792
−5.959
12.805
1.00
18.05

ATOM
1038
OD1
ASP
343
16.675
−5.482
13.087
1.00
17.67

ATOM
1039
OD2
ASP
343
18.715
−6.012
13.635
1.00
21.17

ATOM
1040
C
ASP
343
16.941
−4.412
10.469
1.00
18.03

ATOM
1041
O
ASP
343
15.803
−3.982
10.681
1.00
19.85

ATOM
1042
N
MET
344
17.983
−3.608
10.281
1.00
16.93

ATOM
1043
H
MET
344
18.847
−3.988
10.044
1.00
0.00

ATOM
1044
CA
MET
344
17.888
−2.151
10.385
1.00
15.78

ATOM
1045
CB
MET
344
19.289
−1.517
10.161
1.00
18.47

ATOM
1046
CG
MET
344
20.390
−1.914
11.180
1.00
17.27

ATOM
1047
SD
MET
344
21.991
−1.021
10.805
1.00
18.35

ATOM
1048
CE
MET
344
22.518
−0.556
12.442
1.00
14.95

ATOM
1049
C
MET
344
16.887
−1.555
9.349
1.00
14.13

ATOM
1050
O
MET
344
16.102
−0.698
9.680
1.00
14.69

ATOM
1051
N
ALA
345
16.918
−2.065
8.119
1.00
12.89

ATOM
1052
H
ALA
345
17.544
−2.772
7.908
1.00
0.00

ATOM
1053
CA
ALA
345
15.989
−1.576
7.089
1.00
14.59

ATOM
1054
CB
ALA
345
16.210
−2.287
5.682
1.00
14.49

ATOM
1055
C
ALA
345
14.574
−1.807
7.596
1.00
13.93

ATOM
1056
O
ALA
345
13.770
−0.909
7.572
1.00
15.08

ATOM
1057
N
ALA
346
14.301
−3.029
8.051
1.00
15.44

ATOM
1058
H
ALA
346
15.006
−3.702
8.042
1.00
0.00

ATOM
1059
CA
ALA
346
12.989
−3.384
8.638
1.00
14.52

ATOM
1060
CB
ALA
346
12.985
−4.846
9.106
1.00
14.20

ATOM
1061
C
ALA
346
12.631
−2.455
9.819
1.00
14.89

ATOM
1062
O
ALA
346
11.508
−2.041
9.918
1.00
14.25

ATOM
1063
N
GLN
347
13.620
−2.116
10.658
1.00
15.69

ATOM
1064
H
GLN
347
14.528
−2.444
10.501
1.00
0.00

ATOM
1065
CA
GLN
347
13.427
−1.190
11.813
1.00
15.37

ATOM
1066
CB
GLN
347
14.733
−1.083
12.676
1.00
15.22

ATOM
1067
CG
GLN
347
15.136
−2.366
13.429
1.00
17.02

ATOM
1068
CD
GLN
347
16.246
−2.069
14.457
1.00
18.79

ATOM
1069
OE1
GLN
347
16.345
−0.943
14.944
1.00
16.41

ATOM
1070
NE2
GLN
347
17.071
−3.088
14.803
1.00
17.47

ATOM
1071
HE21
GLN
347
16.913
−3.953
14.382
1.00
0.00

ATOM
1072
HE22
GLN
347
17.777
−2.923
15.462
1.00
0.00

ATOM
1073
C
GLN
347
13.006
0.220
11.355
1.00
15.23

ATOM
1074
O
GLN
347
12.131
0.874
11.962
1.00
14.16

ATOM
1075
N
ILE
348
13.660
0.707
10.307
1.00
14.84

ATOM
1076
H
ILE
348
14.339
0.157
9.878
1.00
0.00

ATOM
1077
CA
ILE
348
13.288
1.988
9.744
1.00
14.27

ATOM
1078
CB
ILE
348
14.347
2.445
8.727
1.00
10.76

ATOM
1079
CG2
ILE
348
13.929
3.776
8.050
1.00
10.12

ATOM
1080
CG1
ILE
348
15.668
2.642
9.446
1.00
7.11

ATOM
1081
CD1
ILE
348
16.849
2.604
8.527
1.00
6.11

ATOM
1082
C
ILE
348
11.845
1.908
9.140
1.00
16.17

ATOM
1083
O
ILE
348
11.006
2.792
9.413
1.00
16.71

ATOM
1084
N
ALA
349
11.516
0.825
8.418
1.00
16.08

ATOM
1085
H
ALA
349
12.161
0.098
8.302
1.00
0.00

ATOM
1086
CA
ALA
349
10.154
0.678
7.824
1.00
13.97

ATOM
1087
CB
ALA
349
10.049
−0.581
6.939
1.00
8.78

ATOM
1088
C
ALA
349
9.068
0.647
8.911
1.00
13.46

ATOM
1089
O
ALA
349
7.986
1.147
8.695
1.00
12.89

ATOM
1090
N
GLU
350
9.400
0.008
10.053
1.00
15.64

ATOM
1091
H
GLU
350
10.298
−0.364
10.126
1.00
0.00

ATOM
1092
CA
GLU
350
8.520
−0.090
11.221
1.00
13.87

ATOM
1093
CB
GLU
350
9.191
−1.084
12.301
1.00
13.08

ATOM
1094
CG
GLU
350
8.451
−1.140
13.616
1.00
17.10

ATOM
1095
CD
GLU
350
9.098
−2.087
14.670
1.00
19.67

ATOM
1096
OE1
GLU
350
9.884
−2.986
14.321
1.00
23.25

ATOM
1097
OE2
GLU
350
8.803
−1.898
15.858
1.00
21.62

ATOM
1098
C
GLU
350
8.296
1.340
11.780
1.00
12.66

ATOM
1099
O
GLU
350
7.229
1.714
12.169
1.00
14.82

ATOM
1100
N
GLY
351
9.338
2.141
11.811
1.00
14.22

ATOM
1101
H
GLY
351
10.222
1.844
11.541
1.00
0.00

ATOM
1102
CA
GLY
351
9.157
3.509
12.253
1.00
12.76

ATOM
1103
C
GLY
351
8.244
4.197
11.220
1.00
15.22

ATOM
1104
O
GLY
351
7.229
4.875
11.594
1.00
17.48

ATOM
1105
N
MET
352
8.548
4.012
9.932
1.00
14.54

ATOM
1106
H
MET
352
9.304
3.463
9.675
1.00
0.00

ATOM
1107
CA
MET
352
7.745
4.633
8.898
1.00
13.00

ATOM
1108
CB
MET
352
8.409
4.568
7.524
1.00
13.81

ATOM
1109
CG
MET
352
9.626
5.476
7.401
1.00
11.69

ATOM
1110
SD
MET
352
9.384
7.218
7.808
1.00
16.60

ATOM
1111
CE
MET
352
8.028
7.775
6.732
1.00
12.67

ATOM
1112
C
MET
352
6.293
4.133
8.852
1.00
12.53

ATOM
1113
O
MET
352
5.452
4.862
8.491
1.00
13.87

ATOM
1114
N
ALA
353
6.052
2.901
9.299
1.00
13.17

ATOM
1115
H
ALA
353
6.817
2.401
9.637
1.00
0.00

ATOM
1116
CA
ALA
353
4.708
2.331
9.361
1.00
13.95

ATOM
1117
CB
ALA
353
4.792
0.834
9.714
1.00
12.12

ATOM
1118
C
ALA
353
3.806
3.093
10.376
1.00
14.78

ATOM
1119
O
ALA
353
2.610
3.354
10.112
1.00
14.83

ATOM
1120
N
PHE
354
4.394
3.463
11.523
1.00
15.29

ATOM
1121
H
PHE
354
5.330
3.202
11.662
1.00
0.00

ATOM
1122
CA
PHE
354
3.712
4.234
12.563
1.00
15.49

ATOM
1123
CB
PHE
354
4.599
4.336
13.836
1.00
14.78

ATOM
1124
CG
PHE
354
4.089
5.325
14.873
1.00
16.58

ATOM
1125
CD1
PHE
354
2.985
5.013
15.690
1.00
16.69

ATOM
1126
CD2
PHE
354
4.741
6.532
15.057
1.00
15.47

ATOM
1127
CE1
PHE
354
2.535
5.898
16.694
1.00
15.19

ATOM
1128
CE2
PHE
354
4.318
7.423
16.049
1.00
18.47

ATOM
1129
CZ
PHE
354
3.212
7.101
16.869
1.00
18.26

ATOM
1130
C
PHE
354
3.401
5.634
12.035
1.00
16.62

ATOM
1131
O
PHE
354
2.317
6.149
12.239
1.00
16.48

ATOM
1132
N
ILE
355
4.384
6.267
11.396
1.00
17.98

ATOM
1133
H
ILE
355
5.244
5.791
11.307
1.00
0.00

ATOM
1134
CA
ILE
355
4.192
7.604
10.809
1.00
17.82

ATOM
1135
CB
ILE
355
5.501
8.075
10.120
1.00
15.55

ATOM
1136
CG2
ILE
355
5.217
9.307
9.248
1.00
15.50

ATOM
1137
CG1
ILE
355
6.554
8.364
11.197
1.00
14.67

ATOM
1138
CD1
ILE
355
7.938
8.742
10.680
1.00
10.06

ATOM
1139
C
ILE
355
3.009
7.520
9.804
1.00
18.66

ATOM
1140
O
ILE
355
2.104
8.347
9.797
1.00
17.13

ATOM
1141
N
GLU
356
3.011
6.451
9.017
1.00
21.17

ATOM
1142
H
GLU
356
3.719
5.802
9.123
1.00
0.00

ATOM
1143
CA
GLU
356
1.952
6.161
8.040
1.00
22.27

ATOM
1144
CB
GLU
356
2.316
4.809
7.314
1.00
22.13

ATOM
1145
CG
GLU
356
1.343
4.258
6.260
1.00
23.79

ATOM
1146
CD
GLU
356
1.957
3.034
5.522
1.00
23.99

ATOM
1147
OE1
GLU
356
1.916
1.861
6.026
1.00
25.13

ATOM
1148
OE2
GLU
356
2.545
3.251
4.465
1.00
24.37

ATOM
1149
C
GLU
356
0.552
6.033
8.723
1.00
23.82

ATOM
1150
O
GLU
356
−0.418
6.704
8.303
1.00
23.18

ATOM
1151
N
GLU
357
0.434
5.142
9.721
1.00
23.00

ATOM
1152
H
GLU
357
1.217
4.651
10.019
1.00
0.00

ATOM
1153
CA
GLU
357
−0.842
4.947
10.417
1.00
22.55

ATOM
1154
CB
GLU
357
−0.766
3.806
11.493
1.00
24.70

ATOM
1155
CG
GLU
357
0.211
4.068
12.625
1.00
34.31

ATOM
1156
CD
GLU
357
0.218
2.992
13.713
1.00
38.96

ATOM
1157
OE1
GLU
357
0.972
1.989
13.561
1.00
42.87

ATOM
1158
OE2
GLU
357
−0.496
3.140
14.739
1.00
42.70

ATOM
1159
C
GLU
357
−1.367
6.235
11.039
1.00
20.51

ATOM
1160
O
GLU
357
−2.542
6.464
11.031
1.00
19.83

ATOM
1161
N
ARG
358
−0.471
7.122
11.471
1.00
21.49

ATOM
1162
H
ARG
358
0.480
6.923
11.352
1.00
0.00

ATOM
1163
CA
ARG
358
−0.867
8.408
12.094
1.00
20.36

ATOM
1164
CB
ARG
358
0.258
8.933
13.089
1.00
23.15

ATOM
1165
CG
ARG
358
0.575
7.956
14.189
1.00
25.46

ATOM
1166
CD
ARG
358
−0.532
7.941
15.232
1.00
29.51

ATOM
1167
NE
ARG
358
−0.281
8.983
16.228
1.00
32.69

ATOM
1168
HE
ARG
358
0.097
8.671
17.078
1.00
0.00

ATOM
1169
CZ
ARG
358
−0.567
10.267
16.060
1.00
32.48

ATOM
1170
NH1
ARG
358
−0.282
11.137
17.010
1.00
32.08

ATOM
1171
HH11
ARG
358
0.133
10.728
17.832
1.00
0.00

ATOM
1172
HH12
ARG
358
−0.428
12.125
17.022
1.00
0.00

ATOM
1173
NH2
ARG
358
−1.198
10.682
14.985
1.00
35.41

ATOM
1174
HH21
ARG
358
−1.499
10.123
14.223
1.00
0.00

ATOM
1175
HH22
ARG
358
−1.318
11.682
15.005
1.00
0.00

ATOM
1176
C
ARG
358
−1.168
9.521
11.095
1.00
20.10

ATOM
1177
O
ARG
358
−1.334
10.646
11.501
1.00
20.83

ATOM
1178
N
ASN
359
−1.172
9.214
9.797
1.00
18.65

ATOM
1179
H
ASN
359
−0.974
8.292
9.525
1.00
0.00

ATOM
1180
CA
ASN
359
−1.449
10.215
8.774
1.00
18.31

ATOM
1181
CB
ASN
359
−2.898
10.785
8.913
1.00
20.61

ATOM
1182
CG
ASN
359
−3.942
9.702
8.790
1.00
23.28

ATOM
1183
OD1
ASN
359
−3.939
8.968
7.826
1.00
27.83

ATOM
1184
ND2
ASN
359
−4.778
9.541
9.806
1.00
22.16

ATOM
1185
HD21
ASN
359
−4.712
10.166
10.552
1.00
0.00

ATOM
1186
HD22
ASN
359
−5.447
8.814
9.769
1.00
0.00

ATOM
1187
C
ASN
359
−0.431
11.365
8.630
1.00
17.72

ATOM
1188
O
ASN
359
−0.781
12.467
8.302
1.00
18.92

ATOM
1189
N
TYR
360
0.830
11.085
8.912
1.00
17.02

ATOM
1190
H
TYR
360
1.046
10.207
9.279
1.00
0.00

ATOM
1191
CA
TYR
360
1.892
12.064
8.729
1.00
14.38

ATOM
1192
CB
TYR
360
2.807
12.153
10.029
1.00
13.98

ATOM
1193
CG
TYR
360
2.318
13.076
11.063
1.00
13.85

ATOM
1194
CD1
TYR
360
1.283
12.704
11.920
1.00
16.87

ATOM
1195
CE1
TYR
360
0.811
13.558
12.890
1.00
19.66

ATOM
1196
CD2
TYR
360
2.867
14.329
11.197
1.00
15.11

ATOM
1197
CE2
TYR
360
2.388
15.209
12.172
1.00
18.85

ATOM
1198
CZ
TYR
360
1.365
14.799
13.007
1.00
18.39

ATOM
1199
OH
TYR
360
0.910
15.616
13.998
1.00
24.39

ATOM
1200
HH
TYR
360
1.335
16.475
13.881
1.00
0.00

ATOM
1201
C
TYR
360
2.820
11.625
7.587
1.00
13.33

ATOM
1202
O
TYR
360
2.863
10.508
7.225
1.00
11.18

ATOM
1203
N
ILE
361
3.630
12.567
7.118
1.00
14.25

ATOM
1204
H
ILE
361
3.552
13.465
7.513
1.00
0.00

ATOM
1205
CA
ILE
361
4.663
12.312
6.115
1.00
14.37

ATOM
1206
CB
ILE
361
4.415
12.990
4.738
1.00
14.04

ATOM
1207
CG2
ILE
361
3.341
12.258
3.971
1.00
15.22

ATOM
1208
CG1
ILE
361
4.105
14.396
4.856
1.00
12.56

ATOM
1209
CD1
ILE
361
3.798
14.957
3.513
1.00
14.53

ATOM
1210
C
ILE
361
5.942
12.896
6.706
1.00
14.27

ATOM
1211
O
ILE
361
5.879
13.810
7.521
1.00
15.89

ATOM
1212
N
HIS
362
7.088
12.373
6.295
1.00
15.01

ATOM
1213
H
HIS
362
7.082
11.632
5.688
1.00
0.00

ATOM
1214
CA
HIS
362
8.364
12.860
6.799
1.00
14.55

ATOM
1215
CB
HIS
362
9.318
11.660
7.089
1.00
15.30

ATOM
1216
CG
HIS
362
10.573
12.052
7.808
1.00
16.56

ATOM
1217
CD2
HIS
362
10.906
11.975
9.119
1.00
17.53

ATOM
1218
ND1
HIS
362
11.672
12.592
7.166
1.00
16.51

ATOM
1219
CE1
HIS
362
12.625
12.820
8.046
1.00
14.63

ATOM
1220
NE2
HIS
362
12.191
12.454
9.240
1.00
16.15

ATOM
1221
HE2
HIS
362
12.686
12.543
10.075
1.00
0.00

ATOM
1222
C
HIS
362
8.981
13.852
5.797
1.00
14.89

ATOM
1223
O
HIS
362
9.371
14.927
6.177
1.00
13.66

ATOM
1224
N
ARG
363
8.957
13.475
4.514
1.00
15.95

ATOM
1225
H
ARG
363
8.542
12.615
4.325
1.00
0.00

ATOM
1226
CA
ARG
363
9.482
14.289
3.405
1.00
17.42

ATOM
1227
CB
ARG
363
8.820
15.730
3.410
1.00
16.25

ATOM
1228
CG
ARG
363
7.362
15.737
3.028
1.00
14.24

ATOM
1229
CD
ARG
363
7.000
17.087
2.418
1.00
16.43

ATOM
1230
NE
ARG
363
7.219
18.153
3.385
1.00
17.16

ATOM
1231
HE
ARG
363
7.089
17.893
4.322
1.00
0.00

ATOM
1232
CZ
ARG
363
7.536
19.411
3.103
1.00
15.55

ATOM
1233
NH1
ARG
363
7.714
19.793
1.844
1.00
14.00

ATOM
1234
HH11
ARG
363
7.619
19.108
1.121
1.00
0.00

ATOM
1235
HH12
ARG
363
7.960
20.732
1.627
1.00
0.00

ATOM
1236
NH2
ARG
363
7.540
20.295
4.065
1.00
12.15

ATOM
1237
HH21
ARG
363
7.322
19.995
5.002
1.00
0.00

ATOM
1238
HH22
ARG
363
7.786
21.240
3.868
1.00
0.00

ATOM
1239
C
ARG
363
11.018
14.432
3.285
1.00
18.19

ATOM
1240
O
ARG
363
11.563
15.044
2.281
1.00
18.33

ATOM
1241
N
ASP
364
11.736
13.871
4.258
1.00
17.61

ATOM
1242
H
ASP
364
11.294
13.345
4.944
1.00
0.00

ATOM
1243
CA
ASP
364
13.185
13.981
4.296
1.00
16.42

ATOM
1244
CB
ASP
364
13.583
15.072
5.324
1.00
16.30

ATOM
1245
CG
ASP
364
14.959
15.723
5.006
1.00
16.74

ATOM
1246
OD1
ASP
364
15.575
15.411
3.988
1.00
15.68

ATOM
1247
OD2
ASP
364
15.385
16.571
5.788
1.00
20.30

ATOM
1248
C
ASP
364
13.811
12.626
4.685
1.00
17.26

ATOM
1249
O
ASP
364
14.793
12.550
5.414
1.00
16.57

ATOM
1250
N
LEU
365
13.227
11.556
4.169
1.00
16.75

ATOM
1251
H
LEU
365
12.460
11.663
3.573
1.00
0.00

ATOM
1252
CA
LEU
365
13.693
10.215
4.454
1.00
16.75

ATOM
1253
CB
LEU
365
12.553
9.210
4.207
1.00
15.30

ATOM
1254
CG
LEU
365
12.798
7.792
4.695
1.00
14.08

ATOM
1255
CD1
LEU
365
12.979
7.840
6.201
1.00
11.92

ATOM
1256
CD2
LEU
365
11.635
6.857
4.267
1.00
7.96

ATOM
1257
C
LEU
365
14.927
9.861
3.618
1.00
17.49

ATOM
1258
O
LEU
365
14.876
9.833
2.408
1.00
16.31

ATOM
1259
N
ARG
366
16.027
9.593
4.323
1.00
17.66

ATOM
1260
H
ARG
366
15.961
9.657
5.298
1.00
0.00

ATOM
1261
CA
ARG
366
17.338
9.225
3.765
1.00
16.18

ATOM
1262
CB
ARG
366
18.010
10.452
3.112
1.00
17.31

ATOM
1263
CG
ARG
366
17.816
11.737
3.928
1.00
19.54

ATOM
1264
CD
ARG
366
18.944
12.800
3.695
1.00
23.47

ATOM
1265
NE
ARG
366
18.906
13.491
2.418
1.00
26.81

ATOM
1266
HE
ARG
366
18.034
13.590
1.962
1.00
0.00

ATOM
1267
CZ
ARG
366
19.995
13.938
1.775
1.00
28.86

ATOM
1268
NH1
ARG
366
21.206
13.753
2.276
1.00
28.11

ATOM
1269
HH11
ARG
366
21.352
13.270
3.144
1.00
0.00

ATOM
1270
HH12
ARG
366
22.008
14.080
1.778
1.00
0.00

ATOM
1271
NH2
ARG
366
19.882
14.593
0.623
1.00
30.30

ATOM
1272
HH21
ARG
366
18.982
14.712
0.214
1.00
0.00

ATOM
1273
HH22
ARG
366
20.704
14.889
0.136
1.00
0.00

ATOM
1274
C
ARG
366
18.204
8.744
4.958
1.00
15.99

ATOM
1275
O
ARG
366
17.918
9.046
6.098
1.00
16.36

ATOM
1276
N
ALA
367
19.262
8.014
4.659
1.00
16.28

ATOM
1277
H
ALA
367
19.450
7.850
3.716
1.00
0.00

ATOM
1278
CA
ALA
367
20.159
7.471
5.668
1.00
14.41

ATOM
1279
CB
ALA
367
21.292
6.712
4.987
1.00
14.66

ATOM
1280
C
ALA
367
20.733
8.550
6.649
1.00
13.21

ATOM
1281
O
ALA
367
20.872
8.284
7.830
1.00
13.34

ATOM
1282
N
ALA
368
21.038
9.741
6.148
1.00
11.41

ATOM
1283
H
ALA
368
20.901
9.910
5.201
1.00
0.00

ATOM
1284
CA
ALA
368
21.532
10.790
7.006
1.00
12.42

ATOM
1285
CB
ALA
368
21.853
12.030
6.211
1.00
9.29

ATOM
1286
C
ALA
368
20.531
11.138
8.126
1.00
15.42

ATOM
1287
O
ALA
368
20.937
11.603
9.183
1.00
16.76

ATOM
1288
N
ASM
369
19.238
10.937
7.877
1.00
16.34

ATOM
1289
H
ASN
369
18.967
10.585
7.004
1.00
0.00

ATOM
1290
CA
ASN
369
18.193
11.259
8.851
1.00
16.19

ATOM
1291
CB
ASN
369
17.014
12.062
8.176
1.00
12.34

ATOM
1292
CG
ASN
369
17.439
13.483
7.761
1.00
11.80

ATOM
1293
OD1
ASN
369
18.306
14.091
8.393
1.00
12.39

ATOM
1294
ND2
ASN
369
16.824
14.016
6.690
1.00
13.58

ATOM
1295
HD21
ASN
369
16.165
13.481
6.231
1.00
0.00

ATOM
1296
HD22
ASN
369
17.085
14.923
6.423
1.00
0.00

ATOM
1297
C
ASN
369
17.713
10.045
9.687
1.00
16.34

ATOM
1298
O
ASN
369
16.667
10.077
10.333
1.00
14.31

ATOM
1299
N
ILE
370
18.485
8.958
9.613
1.00
16.57

ATOM
1300
H
ILE
370
19.255
8.957
9.016
1.00
0.00

ATOM
1301
CA
ILE
370
18.219
7.799
10.454
1.00
15.28

ATOM
1302
CB
ILE
370
18.268
6.444
9.680
1.00
12.35

ATOM
1303
CG2
ILE
370
18.133
5.278
10.691
1.00
8.58

ATOM
1304
CG1
ILE
370
17.131
6.436
8.635
1.00
9.63

ATOM
1305
CD1
ILE
370
15.752
6.737
9.243
1.00
9.51

ATOM
1306
C
ILE
370
19.347
7.813
11.488
1.00
14.82

ATOM
1307
O
ILE
370
20.475
7.998
11.122
1.00
14.94

ATOM
1308
N
LEU
371
19.012
7.790
12.777
1.00
15.57

ATOM
1309
H
LEU
371
18.073
7.786
13.019
1.00
0.00

ATOM
1310
CA
LEU
371
20.010
7.747
13.835
1.00
14.63

ATOM
1311
CB
LEU
371
19.665
8.753
15.000
1.00
16.10

ATOM
1312
CG
LEU
371
19.622
10.250
14.573
1.00
16.11

ATOM
1313
CD1
LEU
371
19.161
11.120
15.732
1.00
15.95

ATOM
1314
CD2
LEU
371
21.031
10.664
14.089
1.00
14.60

ATOM
1315
C
LEU
371
20.122
6.311
14.364
1.00
13.16

ATOM
1316
O
LEU
371
19.217
5.595
14.332
1.00
13.70

ATOM
1317
N
VAL
372
21.298
5.950
14.835
1.00
14.01

ATOM
1318
H
VAL
372
22.030
6.600
14.834
1.00
0.00

ATOM
1319
CA
VAL
372
21.619
4.623
15.339
1.00
13.23

ATOM
1320
CB
VAL
372
22.813
4.071
14.583
1.00
12.91

ATOM
1321
CG1
VAL
372
23.171
2.721
15.111
1.00
13.14

ATOM
1322
CG2
VAL
372
22.533
4.009
13.064
1.00
12.48

ATOM
1323
C
VAL
372
21.999
4.689
16.819
1.00
14.71

ATOM
1324
O
VAL
372
22.826
5.552
17.225
1.00
14.64

ATOM
1325
N
SER
373
21.417
3.801
17.624
1.00
15.54

ATOM
1326
H
SER
373
20.774
3.152
17.266
1.00
0.00

ATOM
1327
CA
SER
373
21.684
3.786
19.059
1.00
16.65

ATOM
1328
CB
SER
373
20.512
3.177
19.825
1.00
16.65

ATOM
1329
OG
SER
373
20.469
1.761
19.629
1.00
16.45

ATOM
1330
HG
SER
373
20.389
1.552
18.696
1.00
0.00

ATOM
1331
C
SER
373
22.896
2.963
19.390
1.00
18.50

ATOM
1332
O
SER
373
23.508
2.344
18.503
1.00
18.64

ATOM
1333
N
ASP
374
23.235
2.924
20.682
1.00
20.91

ATOM
1334
H
ASP
374
22.696
3.399
21.342
1.00
0.00

ATOM
1335
CA
ASP
374
24.379
2.127
21.126
1.00
21.20

ATOM
1336
CB
ASP
374
24.878
2.553
22.564
1.00
23.16

ATOM
1337
CG
ASP
374
23.907
2.172
23.670
1.00
27.96

ATOM
1338
OD1
ASP
374
22.708
2.420
23.523
1.00
31.95

ATOM
1339
OD2
ASP
374
24.329
1.614
24.713
1.00
32.22

ATOM
1340
C
ASP
374
24.109
0.630
21.046
1.00
20.84

ATOM
1341
O
ASP
374
25.052
−0.146
21.018
1.00
22.71

ATOM
1342
N
THR
375
22.845
0.228
20.888
1.00
20.49

ATOM
1343
H
THR
375
22.124
0.886
20.823
1.00
0.00

ATOM
1344
CA
THR
375
22.501
−1.203
20.775
1.00
17.45

ATOM
1345
CB
THR
375
21.231
−1.595
21.574
1.00
18.93

ATOM
1346
OG1
THR
375
20.125
−0.873
21.061
1.00
21.47

ATOM
1347
HG1
THR
375
20.316
0.066
21.153
1.00
0.00

ATOM
1348
CG2
THR
375
21.350
−1.290
23.072
1.00
17.23

ATOM
1349
C
THR
375
22.241
−1.557
19.312
1.00
17.46

ATOM
1350
O
THR
375
21.631
−2.564
19.020
1.00
18.37

ATOM
1351
N
LEU
376
22.688
−0.670
18.416
1.00
16.59

ATOM
1352
H
LEU
376
23.169
0.121
18.738
1.00
0.00

ATOM
1353
CA
LEU
376
22.530
−0.801
16.972
1.00
15.61

ATOM
1354
CB
LEU
376
23.450
−1.970
16.396
1.00
14.66

ATOM
1355
CG
LEU
376
25.028
−1.869
16.844
1.00
10.29

ATOM
1356
CD1
LEU
376
25.876
−2.944
16.121
1.00
9.23

ATOM
1357
CD2
LEU
376
25.582
−0.493
16.496
1.00
10.52

ATOM
1358
C
LEU
376
21.086
−0.887
16.447
1.00
15.54

ATOM
1359
O
LEU
376
20.812
−1.650
15.508
1.00
16.68

ATOM
1360
N
SER
377
20.171
−0.183
17.132
1.00
15.30

ATOM
1361
H
SER
377
20.468
0.255
17.951
1.00
0.00

ATOM
1362
CA
SER
377
18.770
−0.042
16.710
1.00
15.05

ATOM
1363
CB
SER
377
17.760
−0.026
17.907
1.00
14.23

ATOM
1364
OG
SER
377
17.983
1.031
18.848
1.00
14.35

ATOM
1365
HG
SER
377
18.819
0.903
19.275
1.00
0.00

ATOM
1366
C
SER
377
18.727
1.326
15.966
1.00
16.11

ATOM
1367
O
SER
377
19.574
2.176
16.192
1.00
15.06

ATOM
1368
N
CYS
378
17.732
1.522
15.110
1.00
15.44

ATOM
1369
H
CYS
378
17.072
0.820
15.018
1.00
0.00

ATOM
1370
CA
CYS
378
17.576
2.728
14.332
1.00
14.17

ATOM
1371
CB
CYS
378
17.502
2.355
12.782
1.00
16.01

ATOM
1372
SG
CYS
378
18.991
1.540
12.168
1.00
19.80

ATOM
1373
C
CYS
378
16.331
3.507
14.679
1.00
14.82

ATOM
1374
O
CYS
378
15.308
2.934
14.939
1.00
15.46

ATOM
1375
N
LYS
379
16.431
4.832
14.627
1.00
15.71

ATOM
1376
H
LYS
379
17.300
5.223
14.416
1.00
0.00

ATOM
1377
CA
LYS
379
15.289
5.689
14.870
1.00
13.94

ATOM
1378
CB
LYS
379
15.294
6.303
16.299
1.00
13.12

ATOM
1379
CG
LYS
379
15.180
5.279
17.404
1.00
13.38

ATOM
1380
CD
LYS
379
14.885
5.871
18.798
1.00
14.48

ATOM
1381
CE
LYS
379
15.202
4.822
19.849
1.00
13.41

ATOM
1382
NZ
LYS
379
14.265
4.820
20.952
1.00
17.18

ATOM
1383
HZ1
LYS
379
13.310
4.666
20.567
1.00
0.00

ATOM
1384
HZ2
LYS
379
14.289
5.767
21.379
1.00
0.00

ATOM
1385
HZ3
LYS
379
14.508
4.101
21.658
1.00
0.00

ATOM
1386
C
LYS
379
15.263
6.786
13.811
1.00
12.59

ATOM
1387
O
LYS
379
16.287
7.266
13.354
1.00
10.06

ATOM
1388
N
ILE
380
14.055
7.154
13.419
1.00
13.70

ATOM
1389
H
ILE
380
13.286
6.728
13.828
1.00
0.00

ATOM
1390
CA
ILE
380
13.866
8.187
12.408
1.00
13.98

ATOM
1391
CB
ILE
380
12.427
8.151
11.890
1.00
13.22

ATOM
1392
CG2
ILE
380
12.193
9.177
10.817
1.00
11.01

ATOM
1393
CG1
ILE
380
11.988
6.694
11.566
1.00
14.02

ATOM
1394
CD1
ILE
380
12.423
6.133
10.213
1.00
15.70

ATOM
1395
C
ILE
380
14.074
9.488
13.179
1.00
14.68

ATOM
1396
O
ILE
380
13.620
9.608
14.349
1.00
15.94

ATOM
1397
N
ALA
381
14.774
10.429
12.557
1.00
15.42

ATOM
1398
H
ALA
381
15.113
10.204
11.662
1.00
0.00

ATOM
1399
CA
ALA
381
15.027
11.744
13.124
1.00
13.22

ATOM
1400
CB
ALA
381
16.471
11.869
13.551
1.00
11.25

ATOM
1401
C
ALA
381
14.738
12.844
12.105
1.00
14.98

ATOM
1402
O
ALA
381
14.473
12.597
10.932
1.00
13.93

ATOM
1403
N
ASP
382
14.844
14.076
12.591
1.00
16.61

ATOM
1404
H
ASP
382
15.092
14.173
13.531
1.00
0.00

ATOM
1405
CA
ASP
382
14.628
15.291
11.813
1.00
16.99

ATOM
1406
CB
ASP
382
15.688
15.444
10.734
1.00
17.00

ATOM
1407
CG
ASP
382
15.811
16.880
10.258
1.00
19.52

ATOM
1408
OD1
ASP
382
14.842
17.659
10.460
1.00
19.34

ATOM
1409
OD2
ASP
382
16.879
17.247
9.703
1.00
17.32

ATOM
1410
C
ASP
382
13.247
15.425
11.221
1.00
15.46

ATOM
1411
O
ASP
382
13.004
15.137
10.052
1.00
17.25

ATOM
1412
N
PHE
383
12.337
15.901
12.047
1.00
16.10

ATOM
1413
H
PHE
383
12.611
16.148
12.954
1.00
0.00

ATOM
1414
CA
PHE
383
10.952
16.083
11.631
1.00
16.08

ATOM
1415
CB
PHE
383
10.088
15.697
12.755
1.00
17.00

ATOM
1416
CG
PHE
383
10.272
14.247
13.179
1.00
16.93

ATOM
1417
CD1
PHE
383
9.510
13.235
12.607
1.00
15.84

ATOM
1418
CD2
PHE
383
11.239
13.897
14.134
1.00
16.51

ATOM
1419
CE1
PHE
383
9.702
11.892
12.971
1.00
16.58

ATOM
1420
CE2
PHE
383
11.439
12.556
14.508
1.00
14.58

ATOM
1421
CZ
PHE
383
10.680
11.565
13.931
1.00
16.22

ATOM
1422
C
PHE
383
10.670
17.517
11.156
1.00
17.58

ATOM
1423
O
PHE
383
9.561
17.949
11.147
1.00
19.20

ATOM
1424
N
GLY
384
11.696
18.238
10.735
1.00
18.38

ATOM
1425
H
GLY
384
12.591
17.839
10.706
1.00
0.00

ATOM
1426
CA
GLY
384
11.510
19.620
10.286
1.00
18.20

ATOM
1427
C
GLY
384
10.639
19.782
9.030
1.00
18.03

ATOM
1428
O
GLY
384
10.023
20.837
8.808
1.00
19.56

ATOM
1429
N
LEU
385
10.613
18.751
8.194
1.00
18.73

ATOM
1430
H
LEU
385
11.199
17.992
8.350
1.00
0.00

ATOM
1431
CA
LEU
385
9.785
18.765
6.982
1.00
18.43

ATOM
1432
CB
LEU
385
10.652
18.228
5.716
1.00
15.64

ATOM
1433
CG
LEU
385
11.783
19.221
5.210
1.00
16.18

ATOM
1434
CD1
LEU
385
12.460
18.691
3.902
1.00
13.69

ATOM
1435
CD2
LEU
385
11.152
20.629
4.956
1.00
12.90

ATOM
1436
C
LEU
385
8.486
17.951
7.137
1.00
18.86

ATOM
1437
O
LEU
385
7.642
17.949
6.215
1.00
20.88

ATOM
1438
N
ALA
386
8.354
17.205
8.251
1.00
20.00

ATOM
1439
H
ALA
386
9.078
17.244
8.902
1.00
0.00

ATOM
1440
CA
ALA
386
7.188
16.364
8.535
1.00
18.96

ATOM
1441
CB
ALA
386
7.367
15.580
9.840
1.00
16.43

ATOM
1442
C
ALA
386
5.918
17.176
8.600
1.00
20.25

ATOM
1443
O
ALA
386
5.918
18.314
9.082
1.00
23.48

ATOM
1444
N
ARG
387
4.835
16.573
8.132
1.00
19.78

ATOM
1445
H
ARG
387
4.924
15.669
7.780
1.00
0.00

ATOM
1446
CA
ARG
387
3.538
17.229
8.087
1.00
18.32

ATOM
1447
CB
ARG
387
3.306
17.864
6.683
1.00
17.41

ATOM
1448
CG
ARG
387
4.307
18.943
6.273
1.00
14.82

ATOM
1449
CD
ARG
387
4.055
20.246
6.977
1.00
10.69

ATOM
1450
NE
ARG
387
5.003
21.220
6.466
1.00
12.89

ATOM
1451
HE
ARG
387
4.786
21.752
5.679
1.00
0.00

ATOM
1452
CZ
ARG
387
6.205
21.457
6.980
1.00
15.53

ATOM
1453
NH1
ARG
387
6.651
20.815
8.047
1.00
17.42

ATOM
1454
HH11
ARG
387
6.105
20.102
8.500
1.00
0.00

ATOM
1455
HH12
ARG
387
7.566
21.001
8.408
1.00
0.00

ATOM
1456
NH2
ARG
387
7.016
22.316
6.372
1.00
19.12

ATOM
1457
HH21
ARG
387
6.746
22.813
5.550
1.00
0.00

ATOM
1458
HH22
ARG
387
7.910
22.484
6.788
1.00
0.00

ATOM
1459
C
ARG
387
2.410
16.240
8.292
1.00
18.84

ATOM
1460
O
ARG
387
2.495
15.112
7.857
1.00
19.94

ATOM
1461
N
LEU
388
1.356
16.684
8.975
1.00
19.34

ATOM
1462
H
LEU
388
1.405
17.591
9.336
1.00
0.00

ATOM
1463
CA
LEU
388
0.145
15.873
9.188
1.00
18.29

ATOM
1464
CB
LEU
388
−0.759
16.485
10.359
1.00
16.07

ATOM
1465
CG
LEU
388
−2.211
15.841
10.558
1.00
12.21

ATOM
1466
CD1
LEU
388
−2.107
14.367
10.794
1.00
10.76

ATOM
1467
CD2
LEU
388
−2.956
16.502
11.743
1.00
13.17

ATOM
1468
C
LEU
388
−0.606
16.031
7.882
1.00
21.61

ATOM
1469
O
LEU
388
−0.660
17.106
7.367
1.00
22.67

ATOM
1470
N
ILE
389
−1.184
14.942
7.368
1.00
24.36

ATOM
1471
H
ILE
389
−1.135
14.153
7.917
1.00
0.00

ATOM
1472
CA
ILE
389
−1.918
14.947
6.107
1.00
25.41

ATOM
1473
CB
ILE
389
−1.434
13.771
5.157
1.00
24.31

ATOM
1474
CG2
ILE
389
−2.312
13.700
3.904
1.00
22.38

ATOM
1475
CG1
ILE
389
0.007
13.948
4.738
1.00
22.59

ATOM
1476
CD1
ILE
389
0.306
15.265
4.055
1.00
20.20

ATOM
1477
C
ILE
389
−3.403
14.728
6.384
1.00
26.63

ATOM
1478
O
ILE
389
−3.805
13.623
6.689
1.00
27.75

ATOM
1479
N
GLU
390
−4.216
15.779
6.296
1.00
29.05

ATOM
1480
H
GLU
390
−3.823
16.670
6.129
1.00
0.00

ATOM
1481
CA
GLU
390
−5.650
15.608
6.534
1.00
31.11

ATOM
1482
CB
GLU
390
−6.149
16.686
7.345
1.00
26.76

ATOM
1483
CG
GLU
390
−5.751
16.463
8.785
1.00
26.29

ATOM
1484
CD
GLU
390
−6.314
17.486
9.751
1.00
24.80

ATOM
1485
OE1
GLU
390
−6.101
18.694
9.558
1.00
24.79

ATOM
1486
OE2
GLU
390
−6.918
17.065
10.748
1.00
27.72

ATOM
1487
C
GLU
390
−6.429
15.459
5.223
1.00
34.10

ATOM
1488
O
GLU
390
−7.205
14.558
5.046
1.00
36.33

ATOM
1489
N
ASP
391
−6.099
16.307
4.268
1.00
36.42

ATOM
1490
H
ASP
391
−5.403
16.961
4.508
1.00
0.00

ATOM
1491
CA
ASP
391
−6.721
16.310
2.977
1.00
38.98

ATOM
1492
CB
ASP
391
−6.904
17.823
2.550
1.00
41.87

ATOM
1493
CG
ASP
391
−7.570
18.684
3.681
1.00
43.55

ATOM
1494
OD1
ASP
391
−8.763
18.409
4.017
1.00
42.76

ATOM
1495
OD2
ASP
391
−6.897
19.614
4.246
1.00
40.95

ATOM
1496
C
ASP
391
−5.621
15.571
2.213
1.00
39.82

ATOM
1497
O
ASP
391
−4.444
15.812
2.478
1.00
41.33

ATOM
1498
N
ASN
392
−6.024
14.663
1.322
1.00
40.14

ATOM
1499
H
ASN
392
−6.991
14.689
1.211
1.00
0.00

ATOM
1500
CA
ASN
392
−5.151
13.758
0.561
1.00
40.75

ATOM
1501
CB
ASN
392
−5.928
13.123
−0.724
1.00
41.52

ATOM
1502
CG
ASN
392
−7.161
13.916
−1.130
1.00
42.54

ATOM
1503
OD1
ASN
392
−7.325
14.274
−2.302
1.00
44.19

ATOM
1504
ND2
ASN
392
−8.059
14.156
−0.175
1.00
43.25

ATOM
1505
HD21
ASN
392
−8.004
13.831
0.741
1.00
0.00

ATOM
1506
HD22
ASN
392
−8.788
14.733
−0.494
1.00
0.00

ATOM
1507
C
ASN
392
−3.664
13.934
0.242
1.00
40.38

ATOM
1508
O
ASN
392
−2.969
12.931
−0.003
1.00
42.30

ATOM
1509
N
GLU
393
−3.130
15.143
0.331
1.00
38.09

ATOM
1510
H
GLU
393
−3.658
15.890
0.665
1.00
0.00

ATOM
1511
CA
GLU
393
−1.727
15.319
0.023
1.00
34.45

ATOM
1512
CB
GLU
393
−1.494
15.344
−1.497
1.00
34.16

ATOM
1513
CG
GLU
393
−1.943
16.643
−2.143
1.00
36.82

ATOM
1514
CD
GLU
393
−2.611
16.480
−3.497
1.00
39.26

ATOM
1515
OE1
GLU
393
−3.073
17.525
−4.005
1.00
42.26

ATOM
1516
OE2
GLU
393
−2.665
15.354
−4.078
1.00
39.42

ATOM
1517
C
GLU
393
−1.271
16.619
0.626
1.00
33.85

ATOM
1518
O
GLU
393
−2.035
17.332
1.282
1.00
34.00

ATOM
1519
N
PTY
394
−0.016
16.923
0.368
1.00
34.51

ATOM
1520
H
PTY
394
0.476
16.294
−0.190
1.00
0.00

ATOM
1521
CA
PTY
394
0.613
18.131
0.829
1.00
34.83

ATOM
1522
CB
PTY
394
1.564
17.797
1.922
1.00
43.11

ATOM
1523
CG
PTY
394
2.392
18.969
2.312
1.00
52.22

ATOM
1524
CD1
PTY
394
1.864
19.973
3.133
1.00
58.10

ATOM
1525
CE1
PTY
394
2.572
21.114
3.398
1.00
67.67

ATOM
1526
CD2
PTY
394
3.659
19.144
1.786
1.00
56.89

ATOM
1527
CE2
PTY
394
4.360
20.256
2.043
1.00
66.52

ATOM
1528
CZ
PTY
394
3.833
21.259
2.843
1.00
73.87

ATOM
1529
OH
PTY
394
4.619
22.448
3.013
1.00
100.00

ATOM
1530
C
PTY
394
1.390
18.718
−0.355
1.00
31.24

ATOM
1531
O
PTY
394
2.135
18.019
−0.988
1.00
30.24

ATOM
1532
P1
PTY
394
4.258
23.933
3.886
1.00
91.15

ATOM
1533
O1
PTY
394
5.514
24.722
3.726
1.00
91.77

ATOM
1534
O2
PTY
394
4.074
23.650
5.350
1.00
93.29

ATOM
1535
O3
PTY
394
3.060
24.562
3.264
1.00
92.29

ATOM
1536
N
THR
395
1.194
20.003
−0.635
1.00
28.78

ATOM
1537
H
THR
395
0.530
20.453
−0.070
1.00
0.00

ATOM
1538
CA
THR
395
1.886
20.701
−1.721
1.00
27.66

ATOM
1539
CB
THR
395
0.870
21.397
−2.660
1.00
25.89

ATOM
1540
OG1
THR
395
−0.022
20.423
−3.225
1.00
27.17

ATOM
1541
HG1
THR
395
−0.433
19.861
−2.556
1.00
0.00

ATOM
1542
CG2
THR
395
1.583
22.070
−3.824
1.00
24.72

ATOM
1543
C
THR
395
2.868
21.757
−1.123
1.00
29.06

ATOM
1544
O
THR
395
2.468
22.631
−0.340
1.00
27.62

ATOM
1545
N
ALA
396
4.159
21.643
−1.427
1.00
28.81

ATOM
1546
H
ALA
396
4.462
20.888
−1.978
1.00
0.00

ATOM
1547
CA
ALA
396
5.126
22.614
−0.902
1.00
30.68

ATOM
1548
CB
ALA
396
6.531
22.054
−0.998
1.00
29.93

ATOM
1549
C
ALA
396
5.054
23.961
−1.636
1.00
32.23

ATOM
1550
O
ALA
396
4.620
24.017
−2.785
1.00
31.69

ATOM
1551
N
ALA
397
5.544
25.030
−0.992
1.00
33.94

ATOM
1552
H
ALA
397
5.890
24.895
−0.086
1.00
0.00

ATOM
1553
CA
ALA
397
5.538
26.371
−1.617
1.00
36.01

ATOM
1554
CB
ALA
397
6.036
27.428
−0.672
1.00
32.79

ATOM
1555
C
ALA
397
6.320
26.397
−2.932
1.00
38.41

ATOM
1556
O
ALA
397
7.211
25.502
−3.211
1.00
39.05

ATOM
1557
N
GLU
398
6.000
27.384
−3.766
1.00
39.53

ATOM
1558
H
GLU
398
5.421
28.098
−3.433
1.00
0.00

ATOM
1559
CA
GLU
398
6.613
27.472
−5.088
1.00
41.19

ATOM
1560
CB
GLU
398
5.986
28.652
−5.931
1.00
41.84

ATOM
1561
CG
GLU
398
4.825
28.169
−6.817
1.00
43.36

ATOM
1562
CD
GLU
398
5.161
28.125
−8.295
1.00
44.76

ATOM
1563
OE1
GLU
398
6.337
28.433
−8.688
1.00
45.39

ATOM
1564
OE2
GLU
398
4.220
27.805
−9.090
1.00
46.19

ATOM
1565
C
GLU
398
8.121
27.508
−5.211
1.00
41.41

ATOM
1566
O
GLU
398
8.659
27.052
−6.199
1.00
42.08

ATOM
1567
N
GLY
399
8.825
27.982
−4.199
1.00
41.15

ATOM
1568
H
GLY
399
8.439
28.146
−3.312
1.00
0.00

ATOM
1569
CA
GLY
399
10.265
28.067
−4.394
1.00
39.85

ATOM
1570
C
GLY
399
11.066
26.935
−3.807
1.00
38.82

ATOM
1571
O
GLY
399
12.230
26.854
−4.067
1.00
38.82

ATOM
1572
N
ALA
400
10.401
26.068
−3.035
1.00
37.37

ATOM
1573
H
ALA
400
9.435
26.178
−2.904
1.00
0.00

ATOM
1574
CA
ALA
400
11.022
24.952
−2.335
1.00
34.44

ATOM
1575
CB
ALA
400
9.970
24.191
−1.525
1.00
33.55

ATOM
1576
C
ALA
400
11.814
23.997
−3.195
1.00
32.18

ATOM
1577
O
ALA
400
11.334
23.513
−4.192
1.00
32.05

ATOM
1578
N
ALA
401
13.041
23.731
−2.764
1.00
30.24

ATOM
1579
H
ALA
401
13.317
24.158
−1.934
1.00
0.00

ATOM
1580
CA
ALA
401
13.939
22.816
−3.469
1.00
28.71

ATOM
1581
CB
ALA
401
15.260
23.487
−3.759
1.00
30.77

ATOM
1582
C
ALA
401
14.152
21.562
−2.632
1.00
27.02

ATOM
1583
O
ALA
401
14.196
21.635
−1.407
1.00
25.69

ATOM
1584
N
PHE
402
14.300
20.417
−3.309
1.00
26.00

ATOM
1585
H
PHE
402
14.357
20.419
−4.282
1.00
0.00

ATOM
1586
CA
PHE
402
14.464
19.125
−2.634
1.00
24.47

ATOM
1587
CB
PHE
402
13.049
18.340
−2.588
1.00
23.70

ATOM
1588
CG
PHE
402
11.943
19.128
−1.922
1.00
25.30

ATOM
1589
CD1
PHE
402
11.052
19.877
−2.690
1.00
24.46

ATOM
1590
CD2
PHE
402
11.811
19.162
−0.518
1.00
26.38

ATOM
1591
CE1
PHE
402
10.046
20.654
−2.085
1.00
24.71

ATOM
1592
CE2
PHE
402
10.796
19.951
0.102
1.00
24.53

ATOM
1593
CZ
PHE
402
9.921
20.695
−0.696
1.00
26.03

ATOM
1594
C
PHE
402
15.546
18.271
−3.316
1.00
23.67

ATOM
1595
O
PHE
402
15.875
18.490
−4.445
1.00
23.92

ATOM
1596
N
PRO
403
16.191
17.376
−2.544
1.00
21.79

ATOM
1597
CD
PRO
403
15.973
17.363
−1.088
1.00
19.53

ATOM
1598
CA
PRO
403
17.255
16.430
−2.929
1.00
19.78

ATOM
1599
CB
PRO
403
17.500
15.653
−1.636
1.00
19.39

ATOM
1600
CG
PRO
403
17.244
16.702
−0.586
1.00
21.50

ATOM
1601
C
PRO
403
16.727
15.511
−3.989
1.00
19.37

ATOM
1602
O
PRO
403
16.118
14.514
−3.676
1.00
20.97

ATOM
1603
N
ILE
404
16.989
15.861
−5.243
1.00
19.01

ATOM
1604
H
ILE
404
17.529
16.664
−5.407
1.00
0.00

ATOM
1605
CA
ILE
404
16.521
15.102
−6.415
1.00
17.58

ATOM
1606
CB
ILE
404
17.045
15.784
−7.742
1.00
17.33

ATOM
1607
CG2
ILE
404
16.882
14.835
−8.978
1.00
12.01

ATOM
1608
CG1
ILE
404
16.304
17.222
−7.925
1.00
12.49

ATOM
1609
CD1
ILE
404
17.210
18.277
−8.581
1.00
12.28

ATOM
1610
C
ILE
404
16.742
13.584
−6.422
1.00
17.40

ATOM
1611
O
ILE
404
15.817
12.876
−6.683
1.00
20.89

ATOM
1612
N
LYS
405
17.935
13.104
−6.083
1.00
15.40

ATOM
1613
H
LYS
405
18.634
13.748
−5.856
1.00
0.00

ATOM
1614
CA
LYS
405
18.213
11.674
−6.038
1.00
14.67

ATOM
1615
CB
LYS
405
19.810
11.397
−5.718
1.00
14.92

ATOM
1616
CG
LYS
405
20.758
11.949
−6.808
1.00
14.83

ATOM
1617
CD
LYS
405
22.156
11.396
−6.697
1.00
12.78

ATOM
1618
CE
LYS
405
22.835
11.488
−8.040
1.00
16.39

ATOM
1619
NZ
LYS
405
24.186
10.777
−7.987
1.00
24.08

ATOM
1620
HZ1
LYS
405
23.907
9.792
−7.808
1.00
0.00

ATOM
1621
HZ2
LYS
405
24.744
11.178
−7.220
1.00
0.00

ATOM
1622
HZ3
LYS
405
24.634
10.823
−8.918
1.00
0.00

ATOM
1623
C
LYS
405
17.352
10.951
−4.980
1.00
13.92

ATOM
1624
O
LYS
405
17.069
9.805
−5.117
1.00
15.54

ATOM
1625
N
TRP
406
16.912
11.675
−3.953
1.00
15.76

ATOM
1626
H
TRP
406
17.128
12.624
−3.926
1.00
0.00

ATOM
1627
CA
TRP
406
16.106
11.083
−2.870
1.00
16.60

ATOM
1628
CB
TRP
406
16.586
11.654
−1.541
1.00
18.38

ATOM
1629
CG
TRP
406
17.791
11.060
−1.044
1.00
17.60

ATOM
1630
CD2
TRP
406
19.151
11.451
−1.330
1.00
19.62

ATOM
1631
CE2
TRP
406
19.996
10.547
−0.647
1.00
17.36

ATOM
1632
CE3
TRP
406
19.733
12.474
−2.086
1.00
18.14

ATOM
1633
CD1
TRP
406
17.869
9.981
−0.227
1.00
16.88

ATOM
1634
NE1
TRP
406
19.190
9.666
0.011
1.00
18.05

ATOM
1635
HE1
TRP
406
19.428
8.883
0.541
1.00
0.00

ATOM
1636
CZ2
TRP
406
21.384
10.626
−0.701
1.00
17.12

ATOM
1637
CZ3
TRP
406
21.117
12.556
−2.142
1.00
17.59

ATOM
1638
CH2
TRP
406
21.933
11.633
−1.453
1.00
17.99

ATOM
1639
C
TRP
406
14.591
11.335
−2.914
1.00
17.46

ATOM
1640
O
TRP
406
13.813
10.700
−2.177
1.00
17.76

ATOM
1641
N
THR
407
14.177
12.287
−3.742
1.00
20.91

ATOM
1642
H
THR
407
14.822
12.792
−4.267
1.00
0.00

ATOM
1643
CA
THR
407
12.777
12.721
−3.813
1.00
20.21

ATOM
1644
CB
THR
407
12.709
14.284
−3.783
1.00
18.98

ATOM
1645
OG1
THR
407
13.526
14.784
−2.705
1.00
17.05

ATOM
1646
HG1
THR
407
13.228
14.471
−1.846
1.00
0.00

ATOM
1647
CG2
THR
407
11.224
14.783
−3.552
1.00
19.50

ATOM
1648
C
THR
407
11.968
12.156
−4.977
1.00
20.46

ATOM
1649
O
THR
407
12.447
12.076
−6.061
1.00
20.90

ATOM
1650
N
ALA
408
10.724
11.779
−4.705
1.00
18.87

ATOM
1651
H
ALA
408
10.386
11.926
−3.799
1.00
0.00

ATOM
1652
CA
ALA
408
9.830
11.195
−5.700
1.00
16.78

ATOM
1653
CB
ALA
408
8.525
10.776
−5.037
1.00
18.87

ATOM
1654
C
ALA
408
9.568
12.147
−6.847
1.00
16.78

ATOM
1655
O
ALA
408
9.453
13.308
−6.642
1.00
18.12

ATOM
1656
N
PRO
409
9.432
11.629
−8.070
1.00
15.47

ATOM
1657
CD
PRO
409
9.377
10.190
−8.360
1.00
12.49

ATOM
1658
CA
PRO
409
9.194
12.404
−9.287
1.00
16.03

ATOM
1659
CB
PRO
409
8.870
11.320
−10.305
1.00
14.98

ATOM
1660
CG
PRO
409
9.665
10.162
−9.773
1.00
11.87

ATOM
1661
C
PRO
409
8.036
13.402
−9.146
1.00
17.94

ATOM
1662
O
PRO
409
8.175
14.593
−9.481
1.00
21.12

ATOM
1663
N
GLU
410
6.908
12.937
−8.632
1.00
17.81

ATOM
1664
H
GLU
410
6.842
11.997
−8.384
1.00
0.00

ATOM
1665
CA
GLU
410
5.786
13.823
−8.451
1.00
17.97

ATOM
1666
CB
GLU
410
4.514
13.028
−7.955
1.00
17.58

ATOM
1667
CG
GLU
410
4.542
12.536
−6.522
1.00
18.39

ATOM
1668
CD
GLU
410
5.236
11.173
−6.318
1.00
17.37

ATOM
1669
OE1
GLU
410
5.841
10.626
−7.274
1.00
17.66

ATOM
1670
OE2
GLU
410
5.152
10.645
−5.180
1.00
18.30

ATOM
1671
C
GLU
410
6.114
14.991
−7.497
1.00
18.76

ATOM
1672
O
GLU
410
5.559
16.054
−7.611
1.00
20.65

ATOM
1673
N
ALA
411
6.949
14.742
−6.498
1.00
19.19

ATOM
1674
H
ALA
411
7.315
13.834
−6.397
1.00
0.00

ATOM
1675
CA
ALA
411
7.310
15.790
−5.534
1.00
18.61

ATOM
1676
CB
ALA
411
7.973
15.168
−4.290
1.00
16.45

ATOM
1677
C
ALA
411
8.248
16.802
−6.206
1.00
18.60

ATOM
1678
O
ALA
411
8.152
17.977
−5.942
1.00
20.06

ATOM
1679
N
ILE
412
9.133
16.326
−7.082
1.00
18.96

ATOM
1680
H
ILE
412
9.125
15.367
−7.261
1.00
0.00

ATOM
1681
CA
ILE
412
10.085
17.204
−7.780
1.00
19.48

ATOM
1682
CB
ILE
412
11.200
16.384
−8.525
1.00
17.74

ATOM
1683
CG2
ILE
412
11.942
17.285
−9.576
1.00
19.02

ATOM
1684
CG1
ILE
412
12.212
15.749
−7.504
1.00
17.50

ATOM
1685
CD1
ILE
412
12.861
14.489
−8.044
1.00
13.14

ATOM
1686
C
ILE
412
9.365
17.999
−8.866
1.00
19.33

ATOM
1687
O
ILE
412
9.681
19.108
−9.108
1.00
19.43

ATOM
1688
N
ASN
413
8.424
17.345
−9.546
1.00
21.19

ATOM
1689
H
ASN
413
8.157
16.457
−9.257
1.00
0.00

ATOM
1690
CA
ASN
413
7.686
17.964
−10.628
1.00
21.85

ATOM
1691
CB
ASN
413
7.187
16.906
−11.593
1.00
23.13

ATOM
1692
CG
ASN
413
8.309
16.179
−12.263
1.00
22.57

ATOM
1693
OD1
ASN
413
9.373
16.742
−12.464
1.00
26.11

ATOM
1694
ND2
ASN
413
8.108
14.908
−12.546
1.00
24.68

ATOM
1695
HD21
ASN
413
7.245
14.513
−12.261
1.00
0.00

ATOM
1696
HD22
ASN
413
8.779
14.383
−13.020
1.00
0.00

ATOM
1697
C
ASN
413
6.559
18.887
−10.223
1.00
21.33

ATOM
1698
O
ASN
413
6.339
19.922
−10.859
1.00
23.90

ATOM
1699
N
TYR
414
5.806
18.529
−9.201
1.00
21.79

ATOM
1700
H
TYR
414
5.941
17.696
−8.707
1.00
0.00

ATOM
1701
CA
TYR
414
4.737
19.425
−8.817
1.00
22.96

ATOM
1702
CB
TYR
414
3.430
18.829
−9.205
1.00
26.27

ATOM
1703
CG
TYR
414
3.472
18.069
−10.490
1.00
29.76

ATOM
1704
CD1
TYR
414
3.500
18.716
−11.739
1.00
30.46

ATOM
1705
CE1
TYR
414
3.562
17.951
−12.939
1.00
31.07

ATOM
1706
CD2
TYR
414
3.503
16.688
−10.467
1.00
32.08

ATOM
1707
CE2
TYR
414
3.567
15.934
−11.629
1.00
32.12

ATOM
1708
CZ
TYR
414
3.597
16.562
−12.850
1.00
31.87

ATOM
1709
OH
TYR
414
3.663
15.739
−13.952
1.00
36.85

ATOM
1710
HH
TYR
414
3.630
16.266
−14.759
1.00
0.00

ATOM
1711
C
TYR
414
4.719
19.796
−7.337
1.00
23.13

ATOM
1712
O
TYR
414
3.796
20.366
−6.889
1.00
23.73

ATOM
1713
N
GLY
415
5.762
19.472
−6.586
1.00
22.90

ATOM
1714
H
GLY
415
6.533
19.024
−6.995
1.00
0.00

ATOM
1715
CA
GLY
415
5.741
19.790
−5.174
1.00
22.40

ATOM
1716
C
GLY
415
4.708
18.950
−4.411
1.00
21.22

ATOM
1717
O
GLY
415
4.392
19.231
−3.299
1.00
22.65

ATOM
1718
N
THR
416
4.195
17.885
−5.005
1.00
22.57

ATOM
1719
H
THR
416
4.478
17.594
−5.895
1.00
0.00

ATOM
1720
CA
THR
416
3.199
17.123
−4.266
1.00
23.57

ATOM
1721
CB
THR
416
2.059
16.679
−5.186
1.00
26.26

ATOM
1722
OG1
THR
416
2.615
15.931
−6.257
1.00
32.59

ATOM
1723
HG1
THR
416
3.157
15.197
−5.952
1.00
0.00

ATOM
1724
CG2
THR
416
1.366
17.897
−5.843
1.00
27.51

ATOM
1725
C
THR
416
3.839
15.927
−3.516
1.00
22.59

ATOM
1726
O
THR
416
4.553
15.108
−4.109
1.00
21.22

ATOM
1727
N
PHE
417
3.568
15.867
−2.212
1.00
20.62

ATOM
1728
H
PHE
417
2.963
16.538
−1.859
1.00
0.00

ATOM
1729
CA
PHE
417
4.055
14.829
−1.302
1.00
18.07

ATOM
1730
CB
PHE
417
4.919
15.396
−0.157
1.00
14.80

ATOM
1731
CG
PHE
417
6.188
16.024
−0.584
1.00
15.41

ATOM
1732
CD1
PHE
417
6.200
17.294
−1.151
1.00
17.86

ATOM
1733
CD2
PHE
417
7.398
15.373
−0.391
1.00
16.06

ATOM
1734
CE1
PHE
417
7.423
17.906
−1.527
1.00
16.25

ATOM
1735
CE2
PHE
417
8.605
15.968
−0.759
1.00
13.57

ATOM
1736
CZ
PHE
417
8.616
17.232
−1.330
1.00
15.99

ATOM
1737
C
PHE
417
2.913
14.114
−0.622
1.00
17.96

ATOM
1738
O
PHE
417
1.885
14.719
−0.299
1.00
17.65

ATOM
1739
N
THR
418
3.114
12.806
−0.465
1.00
16.63

ATOM
1740
H
THR
418
3.935
12.425
−0.832
1.00
0.00

ATOM
1741
CA
THR
418
2.217
11.925
0.223
1.00
16.95

ATOM
1742
CB
THR
418
1.249
11.134
−0.708
1.00
18.60

ATOM
1743
OG1
THR
418
2.023
10.302
−1.571
1.00
20.03

ATOM
1744
HG1
THR
418
1.478
9.795
−2.183
1.00
0.00

ATOM
1745
CG2
THR
418
0.354
12.046
−1.522
1.00
17.39

ATOM
1746
C
THR
418
3.161
10.882
0.837
1.00
16.10

ATOM
1747
O
THR
418
4.352
10.902
0.594
1.00
15.97

ATOM
1748
N
ILE
419
2.587
9.909
1.537
1.00
15.69

ATOM
1749
H
ILE
419
1.619
9.899
1.642
1.00
0.00

ATOM
1750
CA
ILE
419
3.357
8.856
2.164
1.00
15.08

ATOM
1751
CB
ILE
419
2.486
8.018
3.105
1.00
14.57

ATOM
1752
CG2
ILE
419
1.564
7.116
2.277
1.00
16.44

ATOM
1753
CG1
ILE
419
3.380
7.165
4.056
1.00
13.55

ATOM
1754
CD1
ILE
419
4.165
7.980
5.114
1.00
11.42

ATOM
1755
C
ILE
419
3.998
7.961
1.094
1.00
15.72

ATOM
1756
O
ILE
419
4.962
7.272
1.392
1.00
15.69

ATOM
1757
N
LYS
420
3.433
7.954
−0.128
1.00
16.05

ATOM
1758
H
LYS
420
2.632
8.503
−0.269
1.00
0.00

ATOM
1759
CA
LYS
420
3.985
7.181
−1.232
1.00
15.63

ATOM
1760
CB
LYS
420
2.941
7.002
−2.441
1.00
13.42

ATOM
1761
CG
LYS
420
1.692
6.259
−2.034
1.00
11.85

ATOM
1762
CD
LYS
420
1.966
4.886
−1.501
1.00
11.09

ATOM
1763
CE
LYS
420
0.642
4.095
−1.315
1.00
11.09

ATOM
1764
NZ
LYS
420
0.921
2.776
−0.550
1.00
13.50

ATOM
1765
HZ1
LYS
420
1.340
2.957
0.364
1.00
0.00

ATOM
1766
HZ2
LYS
420
1.623
2.270
−1.093
1.00
0.00

ATOM
1767
HZ3
LYS
420
0.077
2.213
−0.416
1.00
0.00

ATOM
1768
C
LYS
420
5.264
7.868
−1.735
1.00
15.73

ATOM
1769
O
LYS
420
6.088
7.237
−2.385
1.00
15.86

ATOM
1770
N
SER
421
5.387
9.176
−1.477
1.00
15.72

ATOM
1771
H
SER
421
4.675
9.653
−0.993
1.00
0.00

ATOM
1772
CA
SER
421
6.601
9.908
−1.859
1.00
15.83

ATOM
1773
CB
SER
421
6.409
11.463
−1.694
1.00
16.97

ATOM
1774
OG
SER
421
5.274
11.851
−2.430
1.00
19.02

ATOM
1775
HG
SER
421
5.371
11.627
−3.361
1.00
0.00

ATOM
1776
C
SER
421
7.715
9.427
−0.911
1.00
14.26

ATOM
1777
O
SER
421
8.834
9.303
−1.309
1.00
15.84

ATOM
1778
N
ASP
422
7.402
9.288
0.377
1.00
13.94

ATOM
1779
H
ASP
422
6.492
9.494
0.677
1.00
0.00

ATOM
1780
CA
ASP
422
8.368
8.799
1.357
1.00
12.54

ATOM
1781
CB
ASP
422
7.792
8.840
2.771
1.00
14.26

ATOM
1782
CG
ASP
422
7.697
10.272
3.359
1.00
14.62

ATOM
1783
OD1
ASP
422
8.349
11.248
2.924
1.00
16.41

ATOM
1784
OD2
ASP
422
6.952
10.389
4.322
1.00
19.86

ATOM
1785
C
ASP
422
8.715
7.331
1.013
1.00
12.54

ATOM
1786
O
ASP
422
9.819
6.894
1.270
1.00
14.54

ATOM
1787
N
VAL
423
7.753
6.564
0.491
1.00
12.64

ATOM
1788
H
VAL
423
6.846
6.910
0.389
1.00
0.00

ATOM
1789
CA
VAL
423
8.030
5.199
0.111
1.00
11.94

ATOM
1790
CB
VAL
423
6.735
4.420
−0.368
1.00
12.51

ATOM
1791
CG1
VAL
423
7.079
2.995
−0.791
1.00
10.13

ATOM
1792
CG2
VAL
423
5.682
4.381
0.745
1.00
10.02

ATOM
1793
C
VAL
423
9.154
5.139
−0.952
1.00
11.90

ATOM
1794
O
VAL
423
10.062
4.269
−0.886
1.00
12.35

ATOM
1795
N
TRP
424
9.080
6.034
−1.943
1.00
12.24

ATOM
1796
H
TRP
424
8.344
6.681
−1.964
1.00
0.00

ATOM
1797
CA
TRP
424
10.114
6.120
−2.965
1.00
12.36

ATOM
1798
CB
TRP
424
9.812
7.242
−3.941
1.00
11.57

ATOM
1799
CG
TRP
424
10.846
7.426
−5.068
1.00
10.99

ATOM
1800
CD2
TRP
424
10.651
7.170
−6.467
1.00
8.85

ATOM
1801
CE2
TRP
424
11.829
7.579
−7.141
1.00
10.20

ATOM
1802
CE3
TRP
424
9.598
6.645
−7.220
1.00
9.92

ATOM
1803
CD1
TRP
424
12.107
7.977
−4.960
1.00
10.15

ATOM
1804
NE1
TRP
424
12.696
8.074
−6.203
1.00
8.13

ATOM
1805
HE1
TRP
424
13.606
8.412
−6.314
1.00
0.00

ATOM
1806
CZ2
TRP
424
11.976
7.449
−8.530
1.00
10.12

ATOM
1807
CZ3
TRP
424
9.762
6.526
−8.613
1.00
10.03

ATOM
1808
CH2
TRP
424
10.935
6.920
−9.238
1.00
7.49

ATOM
1809
C
TRP
424
11.449
6.426
−2.267
1.00
14.57

ATOM
1810
O
TRP
424
12.470
5.788
−2.574
1.00
16.51

ATOM
1811
N
SER
425
11.467
7.449
−1.394
1.00
16.24

ATOM
1812
H
SER
425
10.634
7.921
−1.179
1.00
0.00

ATOM
1813
CA
SER
425
12.700
7.823
−0.674
1.00
15.28

ATOM
1814
CB
SER
425
12.462
8.928
0.322
1.00
15.38

ATOM
1815
OG
SER
425
12.175
10.118
−0.326
1.00
15.15

ATOM
1816
HG
SER
425
11.420
10.024
−0.909
1.00
0.00

ATOM
1817
C
SER
425
13.271
6.625
0.067
1.00
15.41

ATOM
1818
O
SER
425
14.509
6.450
0.123
1.00
15.24

ATOM
1819
N
PHE
426
12.391
5.846
0.698
1.00
14.44

ATOM
1820
H
PHE
426
11.433
6.049
0.664
1.00
0.00

ATOM
1821
CA
PHE
426
12.815
4.654
1.393
1.00
13.61

ATOM
1822
CB
PHE
426
11.665
3.977
2.065
1.00
14.72

ATOM
1823
CG
PHE
426
12.056
2.722
2.836
1.00
18.08

ATOM
1824
CD1
PHE
426
12.717
2.814
4.062
1.00
17.07

ATOM
1825
CD2
PHE
426
11.654
1.472
2.396
1.00
15.71

ATOM
1826
CE1
PHE
426
12.955
1.675
4.835
1.00
14.50

ATOM
1827
CE2
PHE
426
11.888
0.329
3.165
1.00
16.39

ATOM
1828
CZ
PHE
426
12.534
0.435
4.383
1.00
15.84

ATOM
1829
C
PHE
426
13.571
3.672
0.465
1.00
14.21

ATOM
1830
O
PHE
426
14.615
3.078
0.891
1.00
15.42

ATOM
1831
N
GLY
427
13.074
3.480
−0.764
1.00
12.39

ATOM
1832
H
GLY
427
12.260
3.953
−1.023
1.00
0.00

ATOM
1833
CA
GLY
427
13.757
2.601
−1.695
1.00
11.55

ATOM
1834
C
GLY
427
15.196
3.054
−1.949
1.00
11.48

ATOM
1835
O
GLY
427
16.064
2.277
−1.997
1.00
12.05

ATOM
1836
N
ILE
428
15.387
4.355
−2.109
1.00
13.73

ATOM
1837
H
ILE
428
14.610
4.937
−2.088
1.00
0.00

ATOM
1838
CA
ILE
428
16.714
4.975
−2.290
1.00
12.73

ATOM
1839
CB
ILE
428
16.591
6.494
−2.539
1.00
9.42

ATOM
1840
CG2
ILE
428
17.933
7.073
−2.692
1.00
9.92

ATOM
1841
CG1
ILE
428
15.711
6.794
−3.805
1.00
9.58

ATOM
1842
CD1
ILE
428
16.259
6.242
−5.117
1.00
10.03

ATOM
1843
C
ILE
428
17.513
4.786
−0.972
1.00
14.37

ATOM
1844
O
ILE
428
18.729
4.523
−0.982
1.00
16.84

ATOM
1845
N
LEU
429
16.830
4.974
0.155
1.00
13.93

ATOM
1846
H
LEU
429
15.886
5.193
0.091
1.00
0.00

ATOM
1847
CA
LEU
429
17.465
4.784
1.444
1.00
14.27

ATOM
1848
CB
LEU
429
16.493
5.036
2.543
1.00
13.25

ATOM
1849
CG
LEU
429
17.006
5.104
3.970
1.00
15.00

ATOM
1850
CD1
LEU
429
16.007
5.881
4.836
1.00
15.75

ATOM
1851
CD2
LEU
429
17.259
3.686
4.562
1.00
18.11

ATOM
1852
C
LEU
429
18.009
3.349
1.529
1.00
15.21

ATOM
1853
O
LEU
429
19.121
3.140
2.079
1.00
18.43

ATOM
1854
N
LEU
430
17.269
2.368
0.994
1.00
15.20

ATOM
1855
H
LEU
430
16.437
2.566
0.525
1.00
0.00

ATOM
1856
CA
LEU
430
17.719
0.989
1.034
1.00
14.01

ATOM
1857
CB
LEU
430
16.720
0.033
0.473
1.00
12.69

ATOM
1858
CG
LEU
430
15.447
−0.280
1.233
1.00
13.39

ATOM
1859
CD1
LEU
430
14.489
−1.064
0.316
1.00
8.62

ATOM
1860
CD2
LEU
430
15.777
−1.041
2.559
1.00
13.42

ATOM
1861
C
LEU
430
19.046
0.787
0.297
1.00
15.10

ATOM
1862
O
LEU
430
19.828
−0.035
0.730
1.00
16.41

ATOM
1863
N
THR
431
19.268
1.541
−0.794
1.00
15.96

ATOM
1864
H
THR
431
18.559
2.169
−1.047
1.00
0.00

ATOM
1865
CA
THR
431
20.505
1.448
−1.589
1.00
15.12

ATOM
1866
CB
THR
431
20.434
2.253
−2.960
1.00
16.01

ATOM
1867
OG1
THR
431
20.477
3.675
−2.717
1.00
15.51

ATOM
1868
HG1
THR
431
20.464
4.101
−3.585
1.00
0.00

ATOM
1869
CG2
THR
431
19.140
1.876
−3.767
1.00
15.03

ATOM
1870
C
THR
431
21.690
1.968
−0.735
1.00
17.00

ATOM
1871
O
THR
431
22.820
1.402
−0.763
1.00
16.79

ATOM
1872
N
GLU
432
21.406
2.997
0.064
1.00
17.71

ATOM
1873
H
GLU
432
20.506
3.371
0.082
1.00
0.00

ATOM
1874
CA
GLU
432
22.400
3.578
0.964
1.00
18.11

ATOM
1875
CB
GLU
432
21.872
4.860
1.654
1.00
17.56

ATOM
1876
CG
GLU
432
21.565
6.048
0.714
1.00
15.55

ATOM
1877
CD
GLU
432
21.114
7.274
1.517
1.00
17.07

ATOM
1878
OE1
GLU
432
19.946
7.326
1.891
1.00
16.80

ATOM
1879
OE2
GLU
432
21.933
8.155
1.847
1.00
20.54

ATOM
1880
C
GLU
432
22.768
2.569
2.017
1.00
17.69

ATOM
1881
O
GLU
432
23.863
2.506
2.400
1.00
20.36

ATOM
1882
N
ILE
433
21.810
1.763
2.465
1.00
17.56

ATOM
1883
H
ILE
433
20.906
1.835
2.097
1.00
0.00

ATOM
1884
CA
ILE
433
22.103
0.760
3.472
1.00
17.57

ATOM
1885
CB
ILE
433
20.827
0.079
4.046
1.00
16.80

ATOM
1886
CG2
ILE
433
21.190
−1.165
4.870
1.00
16.51

ATOM
1887
CG1
ILE
433
20.043
1.038
4.862
1.00
15.80

ATOM
1888
CD1
ILE
433
18.852
0.421
5.529
1.00
15.11

ATOM
1889
C
ILE
433
23.010
−0.320
2.884
1.00
19.10

ATOM
1890
O
ILE
433
24.122
−0.481
3.338
1.00
16.95

ATOM
1891
N
VAL
434
22.528
−1.039
1.853
1.00
20.41

ATOM
1892
H
VAL
434
21.647
−0.826
1.464
1.00
0.00

ATOM
1893
CA
VAL
434
23.350
−2.083
1.275
1.00
20.55

ATOM
1894
CB
VAL
434
22.633
−2.911
0.189
1.00
19.66

ATOM
1895
CG1
VAL
434
21.468
−3.637
0.798
1.00
21.62

ATOM
1896
CG2
VAL
434
22.244
−2.061
−1.015
1.00
18.15

ATOM
1897
C
VAL
434
24.753
−1.686
0.770
1.00
19.17

ATOM
1898
O
VAL
434
25.600
−2.516
0.739
1.00
20.00

ATOM
1899
N
THR
435
24.979
−0.434
0.387
1.00
17.74

ATOM
1900
H
THR
435
24.247
0.215
0.443
1.00
0.00

ATOM
1901
CA
THR
435
26.304
0.004
−0.101
1.00
16.83

ATOM
1902
CB
THR
435
26.177
1.064
−1.253
1.00
17.83

ATOM
1903
OG1
THR
435
25.609
2.283
−0.748
1.00
20.40

ATOM
1904
HG1
THR
435
24.772
2.124
−0.322
1.00
0.00

ATOM
1905
CG2
THR
435
25.336
0.563
−2.441
1.00
17.08

ATOM
1906
C
THR
435
27.128
0.645
1.029
1.00
15.63

ATOM
1907
O
THR
435
28.148
1.291
0.809
1.00
16.46

ATOM
1908
N
HIS
436
26.665
0.505
2.252
1.00
15.88

ATOM
1909
H
HIS
436
25.833
0.029
2.389
1.00
0.00

ATOM
1910
CA
HIS
436
27.359
1.121
3.378
1.00
17.21

ATOM
1911
CB
HIS
436
28.669
0.445
3.648
1.00
17.46

ATOM
1912
CG
HIS
436
28.514
−0.954
4.157
1.00
14.48

ATOM
1913
CD2
HIS
436
28.297
−2.118
3.503
1.00
14.36

ATOM
1914
ND1
HIS
436
28.436
−1.243
5.501
1.00
13.14

ATOM
1915
HD1
HIS
436
28.555
−0.592
6.225
1.00
0.00

ATOM
1916
CE1
HIS
436
28.155
−2.518
5.657
1.00
12.31

ATOM
1917
NE2
HIS
436
28.073
−3.077
4.460
1.00
15.21

ATOM
1918
HE2
HIS
436
27.920
−4.030
4.307
1.00
0.00

ATOM
1919
C
HIS
436
27.530
2.648
3.312
1.00
19.44

ATOM
1920
O
HIS
436
28.533
3.154
3.710
1.00
21.15

ATOM
1921
N
GLY
437
26.495
3.360
2.859
1.00
20.63

ATOM
1922
H
GLY
437
25.721
2.878
2.510
1.00
0.00

ATOM
1923
CA
GLY
437
26.547
4.816
2.813
1.00
20.06

ATOM
1924
C
GLY
437
26.907
5.501
1.493
1.00
21.52

ATOM
1925
O
GLY
437
27.150
6.661
1.491
1.00
21.28

ATOM
1926
N
ARG
438
26.914
4.779
0.376
1.00
22.97

ATOM
1927
H
ARG
438
26.699
3.822
0.423
1.00
0.00

ATOM
1928
CA
ARG
438
27.258
5.382
−0.918
1.00
24.21

ATOM
1929
CB
ARG
438
27.619
4.260
−1.969
1.00
29.36

ATOM
1930
CG
ARG
438
28.240
4.754
−3.307
1.00
35.52

ATOM
1931
CD
ARG
438
28.421
3.626
−4.390
1.00
38.48

ATOM
1932
NE
ARG
438
29.288
4.089
−5.504
1.00
46.09

ATOM
1933
HE
ARG
438
29.715
4.964
−5.392
1.00
0.00

ATOM
1934
CZ
ARG
438
29.525
3.391
−6.629
1.00
49.53

ATOM
1935
NH1
ARG
438
28.969
2.202
−6.818
1.00
51.40

ATOM
1936
HH11
ARG
438
28.392
1.810
−6.088
1.00
0.00

ATOM
1937
HH12
ARG
438
29.166
1.640
−7.621
1.00
0.00

ATOM
1938
NH2
ARG
438
30.331
3.876
−7.579
1.00
50.50

ATOM
1939
HH21
ARG
438
30.773
4.751
−7.433
1.00
0.00

ATOM
1940
HH22
ARG
438
30.519
3.310
−8.384
1.00
0.00

ATOM
1941
C
ARG
438
26.128
6.259
−1.463
1.00
22.09

ATOM
1942
O
ARG
438
24.969
6.110
−1.079
1.00
21.61

ATOM
1943
N
ILE
439
26.513
7.243
−2.266
1.00
20.18

ATOM
1944
H
ILE
439
27.474
7.348
−2.431
1.00
0.00

ATOM
1945
CA
ILE
439
25.586
8.175
−2.906
1.00
18.82

ATOM
1946
CB
ILE
439
26.348
9.294
−3.660
1.00
16.85

ATOM
1947
CG2
ILE
439
25.423
10.145
−4.405
1.00
13.52

ATOM
1948
CG1
ILE
439
27.135
10.159
−2.676
1.00
15.59

ATOM
1949
CD1
ILE
439
26.253
10.754
−1.542
1.00
18.14

ATOM
1950
C
ILE
439
24.711
7.403
−3.925
1.00
19.48

ATOM
1951
O
ILE
439
25.193
6.570
−4.632
1.00
20.25

ATOM
1952
N
PRO
440
23.390
7.646
−3.930
1.00
18.22

ATOM
1953
CD
PRO
440
22.610
8.479
−2.989
1.00
17.67

ATOM
1954
CA
PRO
440
22.559
6.917
−4.919
1.00
17.14

ATOM
1955
CB
PRO
440
21.102
7.315
−4.564
1.00
15.84

ATOM
1956
CG
PRO
440
21.259
8.599
−3.673
1.00
18.57

ATOM
1957
C
PRO
440
22.975
7.302
−6.366
1.00
16.31

ATOM
1958
O
PRO
440
23.626
8.302
−6.565
1.00
17.31

ATOM
1959
N
TYR
441
22.676
6.420
−7.319
1.00
16.15

ATOM
1960
H
TYR
441
22.244
5.578
−7.061
1.00
0.00

ATOM
1961
CA
TYR
441
22.979
6.585
−8.740
1.00
15.76

ATOM
1962
CB
TYR
441
22.095
7.650
−9.306
1.00
13.11

ATOM
1963
CG
TYR
441
20.639
7.432
−9.072
1.00
10.64

ATOM
1964
CD1
TYR
441
19.883
6.618
−9.960
1.00
11.16

ATOM
1965
CE1
TYR
441
18.485
6.477
−9.812
1.00
12.67

ATOM
1966
CD2
TYR
441
19.976
8.078
−8.027
1.00
7.40

ATOM
1967
CE2
TYR
441
18.590
7.951
−7.864
1.00
9.27

ATOM
1968
CZ
TYR
441
17.848
7.149
−8.775
1.00
11.67

ATOM
1969
OH
TYR
441
16.507
7.047
−8.676
1.00
11.63

ATOM
1970
HH
TYR
441
16.180
7.463
−7.901
1.00
0.00

ATOM
1971
C
TYR
441
24.475
6.933
−8.948
1.00
16.71

ATOM
1972
O
TYR
441
24.810
8.016
−9.452
1.00
18.03

ATOM
1973
N
PRO
442
25.375
6.004
−8.603
1.00
18.04

ATOM
1974
CD
PRO
442
24.996
4.590
−8.380
1.00
16.17

ATOM
1975
CA
PRO
442
26.840
6.151
−8.711
1.00
20.89

ATOM
1976
CB
PRO
442
27.369
4.731
−8.497
1.00
19.38

ATOM
1977
CG
PRO
442
26.226
3.988
−7.803
1.00
17.19

ATOM
1978
C
PRO
442
27.248
6.669
−10.082
1.00
22.40

ATOM
1979
O
PRO
442
26.780
6.177
−11.066
1.00
24.54

ATOM
1980
N
GLY
443
28.040
7.733
−10.120
1.00
23.47

ATOM
1981
H
GLY
443
28.328
8.200
−9.298
1.00
0.00

ATOM
1982
CA
GLY
443
28.475
8.281
−11.385
1.00
22.95

ATOM
1983
C
GLY
443
27.476
9.163
−12.122
1.00
23.79

ATOM
1984
O
GLY
443
27.823
9.748
−13.095
1.00
25.00

ATOM
1985
N
MET
444
26.251
9.317
−11.626
1.00
21.02

ATOM
1986
H
MET
444
26.056
8.925
−10.742
1.00
0.00

ATOM
1987
CA
MET
444
25.293
10.123
−12.376
1.00
17.88

ATOM
1988
CB
MET
444
23.994
9.372
−12.545
1.00
17.55

ATOM
1989
CG
MET
444
24.110
8.060
−13.355
1.00
17.44

ATOM
1990
SD
MET
444
22.634
6.981
−13.215
1.00
20.53

ATOM
1991
CE
MET
444
21.428
7.942
−14.038
1.00
15.13

ATOM
1992
C
MET
444
25.033
11.452
−11.706
1.00
18.05

ATOM
1993
O
MET
444
24.992
11.530
−10.481
1.00
19.70

ATOM
1994
N
THR
445
24.832
12.479
−12.523
1.00
16.07

ATOM
1995
H
THR
445
24.822
12.334
−13.474
1.00
0.00

ATOM
1996
CA
THR
445
24.528
13.792
−12.050
1.00
14.87

ATOM
1997
CB
THR
445
24.871
14.852
−13.098
1.00
15.07

ATOM
1998
OG1
THR
445
24.235
14.489
−14.318
1.00
16.77

ATOM
1999
HG1
THR
445
23.286
14.617
−14.208
1.00
0.00

ATOM
2000
CG2
THR
445
26.406
15.017
−13.305
1.00
16.76

ATOM
2001
C
THR
445
23.032
13.831
−11.914
1.00
16.32

ATOM
2002
O
THR
445
22.341
12.983
−12.487
1.00
20.27

ATOM
2003
N
ASN
446
22.529
14.896
−11.287
1.00
19.47

ATOM
2004
H
ASN
446
23.149
15.553
−10.938
1.00
0.00

ATOM
2005
CA
ASN
446
21.098
15.119
−11.073
1.00
18.58

ATOM
2006
CB
ASN
446
20.857
16.445
−10.271
1.00
17.56

ATOM
2007
CG
ASN
446
20.951
16.247
−8.786
1.00
16.37

ATOM
2008
OD1
ASN
446
20.903
15.129
−8.308
1.00
13.81

ATOM
2009
ND2
ASN
446
21.065
17.347
−8.039
1.00
16.52

ATOM
2010
HD21
ASN
446
21.075
18.215
−8.503
1.00
0.00

ATOM
2011
HD22
ASN
446
21.154
17.267
−7.072
1.00
0.00

ATOM
2012
C
ASN
446
20.281
15.123
−12.363
1.00
19.03

ATOM
2013
O
ASN
446
19.244
14.465
−12.432
1.00
19.23

ATOM
2014
N
PRO
447
20.749
15.840
−13.409
1.00
19.51

ATOM
2015
CD
PRO
447
21.817
16.855
−13.383
1.00
19.12

ATOM
2016
CA
PRO
447
20.016
15.885
−14.674
1.00
20.68

ATOM
2017
CB
PRO
447
20.815
16.906
−15.506
1.00
19.67

ATOM
2018
CG
PRO
447
21.403
17.790
−14.468
1.00
19.87

ATOM
2019
C
PRO
447
19.991
14.511
−15.351
1.00
21.04

ATOM
2020
O
PRO
447
19.053
14.185
−16.044
1.00
22.47

ATOM
2021
N
GLU
448
21.074
13.750
−15.204
1.00
20.03

ATOM
2022
H
GLU
448
21.849
14.109
−14.722
1.00
0.00

ATOM
2023
CA
GLU
448
21.114
12.417
−15.781
1.00
20.52

ATOM
2024
CB
GLU
448
22.545
11.828
−15.734
1.00
21.34

ATOM
2025
CG
GLU
448
23.570
12.673
−16.524
1.00
22.91

ATOM
2026
CD
GLU
448
24.981
12.172
−16.337
1.00
23.24

ATOM
2027
OE1
GLU
448
25.391
11.850
−15.200
1.00
24.53

ATOM
2028
OE2
GLU
448
25.675
12.078
−17.349
1.00
26.21

ATOM
2029
C
GLU
448
20.131
11.497
−15.055
1.00
21.42

ATOM
2030
O
GLU
448
19.515
10.642
−15.670
1.00
22.71

ATOM
2031
N
VAL
449
19.960
11.698
−13.752
1.00
21.37

ATOM
2032
H
VAL
449
20.494
12.394
−13.296
1.00
0.00

ATOM
2033
CA
VAL
449
19.002
10.887
−12.980
1.00
20.66

ATOM
2034
CB
VAL
449
19.116
11.204
−11.476
1.00
19.13

ATOM
2035
CG1
VAL
449
17.929
10.671
−10.730
1.00
12.43

ATOM
2036
CG2
VAL
449
20.414
10.623
−10.946
1.00
16.46

ATOM
2037
C
VAL
449
17.560
11.129
−13.478
1.00
20.98

ATOM
2038
O
VAL
449
16.851
10.227
−13.764
1.00
22.60

ATOM
2039
N
ILE
450
17.192
12.400
−13.590
1.00
22.70

ATOM
2040
H
ILE
450
17.863
13.079
−13.374
1.00
0.00

ATOM
2041
CA
ILE
450
15.872
12.849
−14.047
1.00
21.82

ATOM
2042
CB
ILE
450
15.826
14.390
−14.014
1.00
21.86

ATOM
2043
CG2
ILE
450
14.603
14.940
−14.776
1.00
21.78

ATOM
2044
CG1
ILE
450
15.803
14.835
−12.510
1.00
21.79

ATOM
2045
CD1
ILE
450
15.747
16.321
−12.300
1.00
25.94

ATOM
2046
C
ILE
450
15.537
12.278
−15.435
1.00
23.84

ATOM
2047
O
ILE
450
14.482
11.623
−15.619
1.00
22.82

ATOM
2048
N
GLN
451
16.515
12.372
−16.339
1.00
25.50

ATOM
2049
H
GLN
451
17.364
12.793
−16.095
1.00
0.00

ATOM
2050
CA
GLN
451
16.369
11.857
−17.696
1.00
25.59

ATOM
2051
CB
GLN
451
17.667
12.165
−18.599
1.00
29.34

ATOM
2052
CG
GLN
451
17.509
11.479
−19.988
1.00
39.00

ATOM
2053
CD
GLN
451
18.726
11.575
−20.920
1.00
44.61

ATOM
2054
OE1
GLN
451
18.586
11.519
−22.185
1.00
46.02

ATOM
2055
NE2
GLN
451
19.934
11.665
−20.320
1.00
47.93

ATOM
2056
HE21
GLN
451
19.934
11.597
−19.345
1.00
0.00

ATOM
2057
HE22
GLN
451
20.728
11.834
−20.863
1.00
0.00

ATOM
2058
C
GLN
451
16.160
10.352
−17.707
1.00
23.21

ATOM
2059
O
GLN
451
15.286
9.865
−18.362
1.00
23.04

ATOM
2060
N
ASN
452
17.030
9.618
−17.008
1.00
22.96

ATOM
2061
H
ASN
452
17.735
10.066
−16.493
1.00
0.00

ATOM
2062
CA
ASN
452
16.908
8.178
−17.018
1.00
20.96

ATOM
2063
CB
ASN
452
18.192
7.504
−16.430
1.00
22.87

ATOM
2064
CG
ASN
452
19.355
7.489
−17.430
1.00
22.04

ATOM
2065
OD1
ASN
452
20.052
6.595
−17.478
1.00
27.51

ATOM
2066
ND2
ASN
452
19.504
8.525
−18.220
1.00
23.96

ATOM
2067
HD21
ASN
452
18.881
9.270
−18.141
1.00
0.00

ATOM
2068
HD22
ASN
452
20.271
8.577
−18.850
1.00
0.00

ATOM
2069
C
ASN
452
15.583
7.708
−16.369
1.00
20.86

ATOM
2070
O
ASN
452
14.919
6.799
−16.897
1.00
21.37

ATOM
2071
N
LEU
453
15.139
8.407
−15.311
1.00
20.01

ATOM
2072
H
LEU
453
15.664
9.154
−14.968
1.00
0.00

ATOM
2073
CA
LEU
453
13.879
8.074
−14.683
1.00
19.12

ATOM
2074
CB
LEU
453
13.637
8.929
−13.359
1.00
17.02

ATOM
2075
CG
LEU
453
14.464
8.638
−12.196
1.00
13.98

ATOM
2076
CD1
LEU
453
14.095
9.580
−11.039
1.00
12.46

ATOM
2077
CD2
LEU
453
14.268
7.167
−11.831
1.00
11.86

ATOM
2078
C
LEU
453
12.692
8.269
−15.646
1.00
20.50

ATOM
2079
O
LEU
453
11.743
7.458
−15.647
1.00
20.66

ATOM
2080
N
GLU
454
12.748
9.324
−16.464
1.00
19.93

ATOM
2081
H
GLU
454
13.543
9.893
−16.416
1.00
0.00

ATOM
2082
CA
GLU
454
11.664
9.620
−17.414
1.00
19.38

ATOM
2083
CB
GLU
454
11.819
11.054
−18.027
1.00
19.41

ATOM
2084
CG
GLU
454
11.708
12.144
−16.953
1.00
24.38

ATOM
2085
CD
GLU
454
11.949
13.574
−17.446
1.00
29.04

ATOM
2086
OE1
GLU
454
12.478
13.779
−18.582
1.00
30.36

ATOM
2087
OE2
GLU
454
11.601
14.513
−16.672
1.00
29.88

ATOM
2088
C
GLU
454
11.561
8.558
−18.528
1.00
18.52

ATOM
2089
O
GLU
454
10.499
8.375
−19.070
1.00
19.85

ATOM
2090
N
ARG
455
12.688
7.913
−18.838
1.00
16.88

ATOM
2091
H
ARG
455
13.512
8.152
−18.363
1.00
0.00

ATOM
2092
CA
ARG
455
12.797
6.856
−19.837
1.00
16.59

ATOM
2093
CB
ARG
455
14.315
6.638
−20.265
1.00
18.54

ATOM
2094
CG
ARG
455
15.015
7.897
−20.809
1.00
22.23

ATOM
2095
CD
ARG
455
16.416
7.608
−21.430
1.00
22.46

ATOM
2096
NE
ARG
455
16.314
6.735
−22.621
1.00
23.65

ATOM
2097
HE
ARG
455
15.440
6.652
−23.024
1.00
0.00

ATOM
2098
CZ
ARG
455
17.339
6.084
−23.176
1.00
23.52

ATOM
2099
NH1
ARG
455
18.564
6.205
−22.666
1.00
23.18

ATOM
2100
HH11
ARG
455
18.722
6.747
−21.844
1.00
0.00

ATOM
2101
HH12
ARG
455
19.323
5.697
−23.082
1.00
0.00

ATOM
2102
NH2
ARG
455
17.117
5.256
−24.201
1.00
23.17

ATOM
2103
HH21
ARG
455
16.202
5.131
−24.563
1.00
0.00

ATOM
2104
HH22
ARG
455
17.880
4.769
−24.640
1.00
0.00

ATOM
2105
C
ARG
455
12.292
5.540
−19.245
1.00
14.86

ATOM
2106
O
ARG
455
12.111
4.590
−19.935
1.00
15.76

ATOM
2107
N
GLY
456
12.123
5.494
−17.935
1.00
15.14

ATOM
2108
H
GLY
456
12.372
6.254
−17.372
1.00
0.00

ATOM
2109
CA
GLY
456
11.654
4.264
−17.320
1.00
14.60

ATOM
2110
C
GLY
456
12.768
3.491
−16.630
1.00
15.10

ATOM
2111
O
GLY
456
12.515
2.461
−16.090
1.00
15.89

ATOM
2112
N
TYR
457
14.022
3.921
−16.772
1.00
15.88

ATOM
2113
H
TYR
457
14.186
4.682
−17.369
1.00
0.00

ATOM
2114
CA
TYR
457
15.117
3.248
−16.052
1.00
16.90

ATOM
2115
CB
TYR
457
16.542
3.818
−16.475
1.00
17.43

ATOM
2116
CG
TYR
457
17.015
3.513
−17.879
1.00
17.13

ATOM
2117
CD1
TYR
457
16.375
2.537
−18.663
1.00
16.81

ATOM
2118
CE1
TYR
457
16.766
2.289
−19.959
1.00
15.70

ATOM
2119
CD2
TYR
457
18.056
4.220
−18.437
1.00
16.39

ATOM
2120
CE2
TYR
457
18.468
3.956
−19.790
1.00
18.02

ATOM
2121
CZ
TYR
457
17.806
2.988
−20.514
1.00
14.82

ATOM
2122
OH
TYR
457
18.212
2.660
−21.778
1.00
13.65

ATOM
2123
HH
TYR
457
17.722
1.912
−22.135
1.00
0.00

ATOM
2124
C
TYR
457
14.967
3.578
−14.552
1.00
17.54

ATOM
2125
O
TYR
457
14.302
4.555
−14.181
1.00
18.62

ATOM
2126
N
ARG
458
15.624
2.784
−13.716
1.00
16.85

ATOM
2127
H
ARG
458
16.061
2.003
−14.102
1.00
0.00

ATOM
2128
CA
ARG
458
15.677
3.014
−12.270
1.00
16.68

ATOM
2129
CB
ARG
458
14.806
2.067
−11.518
1.00
16.43

ATOM
2130
CG
ARG
458
13.315
2.276
−11.757
1.00
18.50

ATOM
2131
CD
ARG
458
12.844
3.651
−11.312
1.00
18.02

ATOM
2132
NE
ARG
458
11.410
3.826
−11.391
1.00
19.46

ATOM
2133
HE
ARG
458
10.865
3.337
−10.747
1.00
0.00

ATOM
2134
CZ
ARG
458
10.791
4.578
−12.311
1.00
19.66

ATOM
2135
NH1
ARG
458
11.494
5.204
−13.258
1.00
18.15

ATOM
2136
HH11
ARG
458
12.488
5.136
−13.266
1.00
0.00

ATOM
2137
HH12
ARG
458
11.024
5.784
−13.925
1.00
0.00

ATOM
2138
NH2
ARG
458
9.488
4.800
−12.226
1.00
17.88

ATOM
2139
HH21
ARG
458
8.953
4.406
−11.479
1.00
0.00

ATOM
2140
HH22
ARG
458
9.031
5.370
−12.914
1.00
0.00

ATOM
2141
C
ARG
458
17.152
2.812
−11.885
1.00
18.17

ATOM
2142
O
ARG
458
17.987
2.515
−12.743
1.00
19.16

ATOM
2143
N
MET
459
17.492
2.989
−10.613
1.00
17.15

ATOM
2144
H
MET
459
16.800
3.195
−9.959
1.00
0.00

ATOM
2145
CA
MET
459
18.881
2.834
−10.213
1.00
17.68

ATOM
2146
CB
MET
459
19.083
3.037
−8.630
1.00
16.65

ATOM
2147
CG
MET
459
20.528
3.323
−8.287
1.00
14.55

ATOM
2148
SD
MET
459
20.883
3.473
−6.544
1.00
16.03

ATOM
2149
CE
MET
459
19.571
4.522
−6.091
1.00
13.30

ATOM
2150
C
MET
459
19.473
1.472
−10.589
1.00
17.16

ATOM
2151
O
MET
459
18.862
0.438
−10.384
1.00
16.06

ATOM
2152
N
VAL
460
20.671
1.494
−11.159
1.00
16.54

ATOM
2153
H
VAL
460
21.107
2.343
−11.368
1.00
0.00

ATOM
2154
CA
VAL
460
21.348
0.240
−11.487
1.00
15.50

ATOM
2155
CB
VAL
460
22.741
0.528
−12.079
1.00
13.02

ATOM
2156
CG1
VAL
460
23.617
−0.721
−11.992
1.00
15.99

ATOM
2157
CG2
VAL
460
22.620
1.004
−13.569
1.00
11.55

ATOM
2158
C
VAL
460
21.496
−0.582
−10.185
1.00
15.30

ATOM
2159
O
VAL
460
21.698
0.004
−9.064
1.00
17.61

ATOM
2160
N
ARG
461
21.352
−1.905
−10.286
1.00
15.24

ATOM
2161
H
ARG
461
21.142
−2.310
−11.161
1.00
0.00

ATOM
2162
CA
ARG
461
21.502
−2.791
−9.120
1.00
15.07

ATOM
2163
CB
ARG
461
21.620
−4.272
−9.530
1.00
11.02

ATOM
2164
CG
ARG
461
20.364
−4.830
−10.115
1.00
12.45

ATOM
2165
CD
ARG
461
20.545
−6.231
−10.649
1.00
11.96

ATOM
2166
NE
ARG
461
19.262
−6.875
−10.964
1.00
13.77

ATOM
2167
HE
ARG
461
18.837
−7.469
−10.349
1.00
0.00

ATOM
2168
CZ
ARG
461
18.595
−6.753
−12.114
1.00
14.20

ATOM
2169
NH1
ARG
461
19.059
−6.002
−13.110
1.00
14.57

ATOM
2170
HH11
ARG
461
19.904
−5.481
−12.976
1.00
0.00

ATOM
2171
HH12
ARG
461
18.518
−5.890
−13.948
1.00
0.00

ATOM
2172
NH2
ARG
461
17.490
−7.467
−12.307
1.00
14.81

ATOM
2173
HH21
ARG
461
17.168
−8.089
−11.599
1.00
0.00

ATOM
2174
HH22
ARG
461
16.979
−7.368
−13.165
1.00
0.00

ATOM
2175
C
ARG
461
22.757
−2.432
−8.364
1.00
16.46

ATOM
2176
O
ARG
461
23.786
−2.396
−8.933
1.00
19.31

ATOM
2177
N
PRO
462
22.647
−2.057
−7.077
1.00
17.45

ATOM
2178
CD
PRO
462
21.425
−1.923
−6.266
1.00
15.77

ATOM
2179
CA
PRO
462
23.833
−1.719
−6.296
1.00
18.08

ATOM
2180
CB
PRO
462
23.298
−1.500
−4.946
1.00
16.03

ATOM
2181
CG
PRO
462
21.877
−0.980
−5.192
1.00
13.87

ATOM
2182
C
PRO
462
24.739
−2.941
−6.257
1.00
21.85

ATOM
2183
O
PRO
462
24.263
−4.102
−6.317
1.00
23.19

ATOM
2184
N
ASP
463
26.033
−2.703
−6.128
1.00
25.56

ATOM
2185
H
ASP
463
26.352
−1.778
−6.075
1.00
0.00

ATOM
2186
CA
ASP
463
26.994
−3.797
−6.032
1.00
28.51

ATOM
2187
CB
ASP
463
28.477
−3.205
−5.996
1.00
31.64

ATOM
2188
CG
ASP
463
28.974
−2.794
−7.395
1.00
33.44

ATOM
2189
OD1
ASP
463
28.744
−3.577
−8.349
1.00
34.19

ATOM
2190
OD2
ASP
463
29.562
−1.693
−7.555
1.00
32.75

ATOM
2191
C
ASP
463
26.669
−4.611
−4.785
1.00
28.31

ATOM
2192
O
ASP
463
26.181
−4.095
−3.817
1.00
27.44

ATOM
2193
N
ASN
464
26.859
−5.915
−4.876
1.00
31.25

ATOM
2194
H
ASN
464
27.222
−6.296
−5.704
1.00
0.00

ATOM
2195
CA
ASN
464
26.559
−6.837
−3.770
1.00
34.14

ATOM
2196
CB
ASN
464
27.581
−6.653
−2.614
1.00
40.82

ATOM
2197
CG
ASN
464
29.030
−6.862
−3.072
1.00
46.39

ATOM
2198
OD1
ASN
464
29.301
−7.603
−4.010
1.00
48.47

ATOM
2199
ND2
ASN
464
29.963
−6.158
−2.421
1.00
50.13

ATOM
2200
HD21
ASN
464
29.755
−5.510
−1.735
1.00
0.00

ATOM
2201
HD22
ASN
464
30.876
−6.388
−2.732
1.00
0.00

ATOM
2202
C
ASN
464
25.147
−6.757
−3.192
1.00
31.91

ATOM
2203
O
ASN
464
24.952
−7.035
−2.039
1.00
34.07

ATOM
2204
N
CYS
465
24.161
−6.344
−3.969
1.00
28.40

ATOM
2205
H
CYS
465
24.356
−6.134
−4.907
1.00
0.00

ATOM
2206
CA
CYS
465
22.804
−6.250
−3.403
1.00
24.22

ATOM
2207
CB
CYS
465
22.145
−5.005
−3.889
1.00
22.49

ATOM
2208
SG
CYS
465
20.412
−4.847
−3.461
1.00
20.33

ATOM
2209
C
CYS
465
21.951
−7.480
−3.758
1.00
23.09

ATOM
2210
O
CYS
465
21.826
−7.799
−4.855
1.00
23.38

ATOM
2211
N
PRO
466
21.404
−8.180
−2.750
1.00
22.22

ATOM
2212
CD
PRO
466
21.560
−7.899
−1.306
1.00
20.41

ATOM
2213
CA
PRO
466
20.566
−9.373
−2.991
1.00
20.92

ATOM
2214
CB
PRO
466
19.990
−9.710
−1.526
1.00
20.49

ATOM
2215
CG
PRO
466
21.084
−9.240
−0.645
1.00
20.50

ATOM
2216
C
PRO
466
19.440
−9.027
−3.952
1.00
20.52

ATOM
2217
O
PRO
466
18.766
−8.029
−3.777
1.00
21.30

ATOM
2218
N
GLU
467
19.205
−9.886
−4.939
1.00
21.08

ATOM
2219
H
GLU
467
19.745
−10.694
−5.001
1.00
0.00

ATOM
2220
CA
GLU
467
18.184
−9.596
−5.946
1.00
18.90

ATOM
2221
CB
GLU
467
18.179
−10.701
−7.100
1.00
18.97

ATOM
2222
CG
GLU
467
17.201
−10.376
−8.247
1.00
17.42

ATOM
2223
CD
GLU
467
17.542
−9.066
−9.005
1.00
16.26

ATOM
2224
OE1
GLU
467
18.651
−8.524
−8.866
1.00
17.05

ATOM
2225
OE2
GLU
467
16.676
−8.560
−9.720
1.00
15.45

ATOM
2226
C
GLU
467
16.786
−9.411
−5.336
1.00
19.15

ATOM
2227
O
GLU
467
15.977
−8.636
−5.850
1.00
18.23

ATOM
2228
N
GLU
468
16.515
−10.141
−4.255
1.00
18.50

ATOM
2229
H
GLU
468
17.207
−10.750
−3.938
1.00
0.00

ATOM
2230
CA
GLU
468
15.236
−10.013
−3.560
1.00
18.26

ATOM
2231
CB
GLU
468
15.143
−11.016
−2.454
1.00
18.02

ATOM
2232
CG
GLU
468
14.944
−12.391
−3.038
1.00
22.38

ATOM
2233
CD
GLU
468
15.077
−13.473
−2.019
1.00
22.82

ATOM
2234
OE1
GLU
468
14.053
−13.856
−1.413
1.00
25.06

ATOM
2235
OE2
GLU
468
16.200
−13.941
−1.837
1.00
24.12

ATOM
2236
C
GLU
468
15.028
−8.592
−3.027
1.00
16.99

ATOM
2237
O
GLU
468
13.968
−8.006
−3.202
1.00
18.07

ATOM
2238
N
LEU
469
16.074
−8.027
−2.436
1.00
16.76

ATOM
2239
H
LEU
469
16.912
−8.528
−2.352
1.00
0.00

ATOM
2240
CA
LEU
469
16.004
−6.661
−1.909
1.00
16.00

ATOM
2241
CB
LEU
469
17.250
−6.323
−1.102
1.00
14.12

ATOM
2242
CG
LEU
469
17.211
−4.913
−0.507
1.00
14.43

ATOM
2243
CD1
LEU
469
16.065
−4.815
0.506
1.00
14.81

ATOM
2244
CD2
LEU
469
18.510
−4.674
0.163
1.00
16.28

ATOM
2245
C
LEU
469
15.878
−5.669
−3.056
1.00
14.33

ATOM
2246
O
LEU
469
15.118
−4.720
−2.988
1.00
16.33

ATOM
2247
N
TYR
470
16.626
−5.900
−4.123
1.00
13.55

ATOM
2248
H
TYR
470
17.226
−6.670
−4.153
1.00
0.00

ATOM
2249
CA
TYR
470
16.542
−4.990
−5.263
1.00
13.77

ATOM
2250
CB
TYR
470
17.503
−5.372
−6.327
1.00
11.35

ATOM
2251
CG
TYR
470
17.513
−4.421
−7.500
1.00
10.50

ATOM
2252
CD1
TYR
470
18.003
−3.119
−7.373
1.00
7.97

ATOM
2253
CE1
TYR
470
18.044
−2.273
−8.461
1.00
8.46

ATOM
2254
CD2
TYR
470
17.057
−4.835
−8.759
1.00
8.80

ATOM
2255
CE2
TYR
470
17.092
−4.008
−9.845
1.00
5.95

ATOM
2256
CZ
TYR
470
17.583
−2.741
−9.705
1.00
9.96

ATOM
2257
OH
TYR
470
17.652
−1.962
−10.818
1.00
13.66

ATOM
2258
HH
TYR
470
17.820
−1.072
−10.537
1.00
0.00

ATOM
2259
C
TYR
470
15.106
−4.944
−5.826
1.00
13.92

ATOM
2260
O
TYR
470
14.617
−3.883
−6.136
1.00
16.81

ATOM
2261
N
GLN
471
14.460
−6.104
−5.972
1.00
15.75

ATOM
2262
H
GLN
471
14.882
−6.938
−5.687
1.00
0.00

ATOM
2263
CA
GLN
471
13.096
−6.125
−6.474
1.00
16.07

ATOM
2264
CB
GLN
471
12.669
−7.545
−6.816
1.00
15.74

ATOM
2265
CG
GLN
471
13.425
−8.120
−8.028
1.00
14.90

ATOM
2266
CD
GLN
471
13.134
−7.284
−9.280
1.00
16.89

ATOM
2267
OE1
GLN
471
12.055
−6.756
−9.427
1.00
19.98

ATOM
2268
NE2
GLN
471
14.125
−7.126
−10.137
1.00
15.91

ATOM
2269
HE21
GLN
471
14.964
−7.537
−9.860
1.00
0.00

ATOM
2270
HE22
GLN
471
13.985
−6.644
−10.978
1.00
0.00

ATOM
2271
C
GLN
471
12.159
−5.430
−5.449
1.00
16.15

ATOM
2272
O
GLN
471
11.192
−4.787
−5.851
1.00
17.76

ATOM
2273
N
LEU
472
12.483
−5.492
−4.148
1.00
14.79

ATOM
2274
H
LEU
472
13.261
−6.005
−3.858
1.00
0.00

ATOM
2275
CA
LEU
472
11.668
−4.769
−3.182
1.00
14.09

ATOM
2276
CB
LEU
472
11.969
−5.175
−1.726
1.00
15.19

ATOM
2277
CG
LEU
472
10.982
−4.513
−0.608
1.00
16.21

ATOM
2278
CD1
LEU
472
9.536
−4.998
−0.789
1.00
16.68

ATOM
2279
CD2
LEU
472
11.473
−4.830
0.779
1.00
14.40

ATOM
2280
C
LEU
472
11.904
−3.252
−3.409
1.00
12.44

ATOM
2281
O
LEU
472
10.996
−2.435
−3.210
1.00
12.73

ATOM
2282
N
MET
473
13.136
−2.891
−3.776
1.00
12.18

ATOM
2283
H
MET
473
13.827
−3.582
−3.899
1.00
0.00

ATOM
2284
CA
MET
473
13.497
−1.511
−4.053
1.00
12.13

ATOM
2285
CB
MET
473
15.027
−1.375
−4.384
1.00
12.25

ATOM
2286
CG
MET
473
15.901
−1.390
−3.211
1.00
10.36

ATOM
2287
SD
MET
473
17.588
−1.669
−3.820
1.00
13.52

ATOM
2288
CE
MET
473
18.441
−1.680
−2.190
1.00
10.52

ATOM
2289
C
MET
473
12.681
−0.997
−5.221
1.00
13.78

ATOM
2290
O
MET
473
12.118
0.146
−5.155
1.00
14.68

ATOM
2291
N
ARG
474
12.600
−1.812
−6.283
1.00
15.28

ATOM
2292
H
ARG
474
13.052
−2.677
−6.232
1.00
0.00

ATOM
2293
CA
ARG
474
11.797
−1.465
−7.486
1.00
15.06

ATOM
2294
CB
ARG
474
11.871
−2.531
−8.543
1.00
16.44

ATOM
2295
CG
ARG
474
13.283
−2.850
−8.994
1.00
17.24

ATOM
2296
CD
ARG
474
13.911
−1.720
−9.718
1.00
26.19

ATOM
2297
NE
ARG
474
13.313
−1.472
−11.073
1.00
31.89

ATOM
2298
HE
ARG
474
12.351
−1.473
−11.138
1.00
0.00

ATOM
2299
CZ
ARG
474
14.040
−1.277
−12.184
1.00
32.39

ATOM
2300
NH1
ARG
474
15.352
−1.327
−12.153
1.00
29.75

ATOM
2301
HH11
ARG
474
15.787
−1.485
−11.255
1.00
0.00

ATOM
2302
HH12
ARG
474
15.949
−1.169
−12.942
1.00
0.00

ATOM
2303
NH2
ARG
474
13.441
−0.880
−13.308
1.00
35.93

ATOM
2304
HH21
ARG
474
12.446
−0.797
−13.326
1.00
0.00

ATOM
2305
HH22
ARG
474
14.014
−0.794
−14.119
1.00
0.00

ATOM
2306
C
ARG
474
10.312
−1.190
−7.174
1.00
14.57

ATOM
2307
O
ARG
474
9.720
−0.278
−7.755
1.00
16.45

ATOM
2308
N
LEU
475
9.724
−1.905
−6.209
1.00
14.97

ATOM
2309
H
LEU
475
10.241
−2.580
−5.707
1.00
0.00

ATOM
2310
CA
LEU
475
8.290
−1.679
−5.853
1.00
15.53

ATOM
2311
CB
LEU
475
7.744
−2.699
−4.769
1.00
16.87

ATOM
2312
CG
LEU
475
7.700
−4.207
−5.090
1.00
15.55

ATOM
2313
CD1
LEU
475
6.998
−4.968
−3.964
1.00
13.87

ATOM
2314
CD2
LEU
475
6.972
−4.428
−6.425
1.00
14.59

ATOM
2315
C
LEU
475
8.120
−0.270
−5.336
1.00
16.95

ATOM
2316
O
LEU
475
7.166
0.372
−5.638
1.00
17.42

ATOM
2317
N
CYS
476
9.084
0.217
−4.565
1.00
17.92

ATOM
2318
H
CYS
476
9.861
−0.344
−4.333
1.00
0.00

ATOM
2319
CA
CYS
476
9.023
1.587
−4.072
1.00
16.60

ATOM
2320
CB
CYS
476
10.226
1.856
−3.019
1.00
17.17

ATOM
2321
SG
CYS
476
10.404
0.633
−1.739
1.00
18.66

ATOM
2322
C
CYS
476
9.223
2.589
−5.239
1.00
16.62

ATOM
2323
O
CYS
476
9.075
3.762
−5.065
1.00
15.94

ATOM
2324
N
TRP
477
9.717
2.124
−6.380
1.00
17.42

ATOM
2325
H
TRP
477
9.976
1.186
−6.432
1.00
0.00

ATOM
2326
CA
TRP
477
9.946
3.063
−7.469
1.00
18.21

ATOM
2327
CB
TRP
477
11.362
2.910
−7.988
1.00
16.36

ATOM
2328
CG
TRP
477
12.392
3.069
−6.923
1.00
15.64

ATOM
2329
CD2
TRP
477
13.690
2.473
−6.906
1.00
16.85

ATOM
2330
CE2
TRP
477
14.371
2.969
−5.773
1.00
16.96

ATOM
2331
CE3
TRP
477
14.351
1.570
−7.746
1.00
15.61

ATOM
2332
CD1
TRP
477
12.326
3.887
−5.822
1.00
15.73

ATOM
2333
NE1
TRP
477
13.525
3.828
−5.124
1.00
16.01

ATOM
2334
HE1
TRP
477
13.807
4.402
−4.388
1.00
0.00

ATOM
2335
CZ2
TRP
477
15.688
2.585
−5.468
1.00
15.56

ATOM
2336
CZ3
TRP
477
15.649
1.200
−7.431
1.00
12.22

ATOM
2337
CH2
TRP
477
16.293
1.708
−6.311
1.00
13.48

ATOM
2338
C
TRP
477
8.920
3.022
−8.613
1.00
19.80

ATOM
2339
O
TRP
477
9.214
3.337
−9.764
1.00
18.99

ATOM
2340
N
LYS
478
7.705
2.635
−8.282
1.00
22.33

ATOM
2341
H
LYS
478
7.529
2.335
−7.367
1.00
0.00

ATOM
2342
CA
LYS
478
6.670
2.554
−9.289
1.00
21.74

ATOM
2343
CB
LYS
478
5.573
1.755
−8.864
1.00
20.38

ATOM
2344
CG
LYS
478
5.937
0.344
−8.960
1.00
21.22

ATOM
2345
CD
LYS
478
4.760
−0.614
−9.033
1.00
24.20

ATOM
2346
CE
LYS
478
5.302
−2.034
−9.186
1.00
24.90

ATOM
2347
NZ
LYS
478
4.278
−3.066
−8.869
1.00
29.63

ATOM
2348
HZ1
LYS
478
3.338
−2.926
−9.288
1.00
0.00

ATOM
2349
HZ2
LYS
478
4.133
−2.994
−7.837
1.00
0.00

ATOM
2350
HZ3
LYS
478
4.565
−4.050
−9.046
1.00
0.00

ATOM
2351
C
LYS
478
6.272
3.923
−9.693
1.00
21.05

ATOM
2352
O
LYS
478
6.301
4.837
−8.886
1.00
22.21

ATOM
2353
N
GLU
479
6.101
4.099
−10.998
1.00
22.28

ATOM
2354
H
GLU
479
6.263
3.353
−11.596
1.00
0.00

ATOM
2355
CA
GLU
479
5.726
5.410
−11.528
1.00
21.62

ATOM
2356
CB
GLU
479
5.464
5.332
−13.025
1.00
25.86

ATOM
2357
CG
GLU
479
6.575
5.959
−13.848
1.00
31.03

ATOM
2358
CD
GLU
479
6.084
7.128
−14.671
1.00
33.23

ATOM
2359
OE1
GLU
479
5.394
6.916
−15.699
1.00
34.68

ATOM
2360
OE2
GLU
479
6.425
8.267
−14.313
1.00
37.38

ATOM
2361
C
GLU
479
4.507
6.018
−10.826
1.00
20.30

ATOM
2362
O
GLU
479
4.555
7.135
−10.378
1.00
17.83

ATOM
2363
N
ARG
480
3.391
5.293
−10.806
1.00
20.52

ATOM
2364
H
ARG
480
3.370
4.409
−11.215
1.00
0.00

ATOM
2365
CA
ARG
480
2.154
5.800
−10.176
1.00
19.54

ATOM
2366
CB
ARG
480
0.990
5.019
−10.623
1.00
21.58

ATOM
2367
CG
ARG
480
0.678
5.095
−12.123
1.00
25.89

ATOM
2368
CD
ARG
480
−0.774
4.624
−12.366
1.00
28.89

ATOM
2369
NE
ARG
480
−0.878
3.195
−12.127
1.00
35.76

ATOM
2370
HE
ARG
480
−0.152
2.600
−12.444
1.00
0.00

ATOM
2371
CZ
ARG
480
−1.866
2.550
−11.491
1.00
35.92

ATOM
2372
NH1
ARG
480
−1.791
1.235
−11.381
1.00
34.46

ATOM
2373
HH11
ARG
480
−1.023
0.715
−11.767
1.00
0.00

ATOM
2374
HH12
ARG
480
−2.538
0.720
−10.974
1.00
0.00

ATOM
2375
NH2
ARG
480
−2.933
3.196
−11.003
1.00
34.72

ATOM
2376
HH21
ARG
480
−3.015
4.167
−11.186
1.00
0.00

ATOM
2377
HH22
ARG
480
−3.678
2.642
−10.636
1.00
0.00

ATOM
2378
C
ARG
480
2.265
5.647
−8.675
1.00
17.56

ATOM
2379
O
ARG
480
2.241
4.508
−8.174
1.00
16.18

ATOM
2380
N
PRO
481
2.262
6.767
−7.931
1.00
15.63

ATOM
2381
CD
PRO
481
2.067
8.171
−8.337
1.00
15.54

ATOM
2382
CA
PRO
481
2.381
6.664
−6.476
1.00
15.45

ATOM
2383
CB
PRO
481
2.042
8.105
−5.973
1.00
13.29

ATOM
2384
CG
PRO
481
2.524
8.968
−7.045
1.00
14.01

ATOM
2385
C
PRO
481
1.523
5.629
−5.789
1.00
17.77

ATOM
2386
O
PRO
481
1.978
4.942
−4.912
1.00
20.96

ATOM
2387
N
GLU
482
0.283
5.478
−6.219
1.00
20.98

ATOM
2388
H
GLU
482
−0.001
6.062
−6.925
1.00
0.00

ATOM
2389
CA
GLU
482
−0.624
4.522
−5.563
1.00
19.94

ATOM
2390
CB
GLU
482
−2.099
4.802
−5.999
1.00
18.33

ATOM
2391
CG
GLU
482
−2.337
4.501
−7.478
1.00
20.65

ATOM
2392
CD
GLU
482
−2.050
5.645
−8.440
1.00
22.38

ATOM
2393
OE1
GLU
482
−1.264
6.609
−8.157
1.00
23.52

ATOM
2394
OE2
GLU
482
−2.659
5.573
−9.530
1.00
24.87

ATOM
2395
C
GLU
482
−0.217
3.061
−5.777
1.00
19.26

ATOM
2396
O
GLU
482
−0.686
2.189
−5.098
1.00
19.19

ATOM
2397
N
ASP
483
0.683
2.818
−6.718
1.00
19.10

ATOM
2398
H
ASP
483
1.005
3.561
−7.232
1.00
0.00

ATOM
2399
CA
ASP
483
1.163
1.465
−6.993
1.00
18.56

ATOM
2400
CB
ASP
483
1.746
1.280
−8.560
1.00
19.43

ATOM
2401
CG
ASP
483
0.643
1.205
−9.578
1.00
22.18

ATOM
2402
OD1
ASP
483
−0.534
1.116
−9.156
1.00
22.63

ATOM
2403
OD2
ASP
483
0.956
1.222
−10.812
1.00
23.31

ATOM
2404
C
ASP
483
2.288
1.079
−6.066
1.00
17.45

ATOM
2405
O
ASP
483
2.738
−0.027
−6.140
1.00
18.30

ATOM
2406
N
ARG
484
2.838
2.048
−5.337
1.00
15.85

ATOM
2407
H
ARG
484
2.524
2.978
−5.416
1.00
0.00

ATOM
2408
CA
ARG
484
3.918
1.755
−4.391
1.00
14.75

ATOM
2409
CB
ARG
484
4.631
3.040
−4.023
1.00
10.78

ATOM
2410
CG
ARG
484
5.202
3.736
−5.218
1.00
9.12

ATOM
2411
CD
ARG
484
5.899
5.032
−4.884
1.00
11.29

ATOM
2412
NE
ARG
484
6.043
5.843
−6.090
1.00
11.36

ATOM
2413
HE
ARG
484
6.099
5.385
−6.949
1.00
0.00

ATOM
2414
CZ
ARG
484
6.110
7.166
−6.120
1.00
11.42

ATOM
2415
NH1
ARG
484
6.085
7.872
−4.986
1.00
11.38

ATOM
2416
HH11
ARG
484
6.034
7.408
−4.115
1.00
0.00

ATOM
2417
HH12
ARG
484
6.125
8.875
−5.033
1.00
0.00

ATOM
2418
NH2
ARG
484
6.029
7.784
−7.289
1.00
9.14

ATOM
2419
HH21
ARG
484
5.922
7.259
−8.127
1.00
0.00

ATOM
2420
HH22
ARG
484
6.057
8.788
−7.359
1.00
0.00

ATOM
2421
C
ARG
484
3.321
1.087
−3.135
1.00
16.28

ATOM
2422
O
ARG
484
2.231
1.443
−2.690
1.00
15.71

ATOM
2423
N
PRO
485
4.067
0.179
−2.498
1.00
16.38

ATOM
2424
CD
PRO
485
5.432
−0.293
−2.799
1.00
16.13

ATOM
2425
CA
PRO
485
3.505
−0.473
−1.303
1.00
17.19

ATOM
2426
CB
PRO
485
4.474
−1.640
−1.068
1.00
17.27

ATOM
2427
CG
PRO
485
5.852
−1.013
−1.509
1.00
18.02

ATOM
2428
C
PRO
485
3.411
0.417
−0.062
1.00
17.34

ATOM
2429
O
PRO
485
3.887
1.556
−0.037
1.00
17.78

ATOM
2430
N
THR
486
2.749
−0.112
0.954
1.00
17.83

ATOM
2431
H
THR
486
2.331
−0.985
0.841
1.00
0.00

ATOM
2432
CA
THR
486
2.604
0.589
2.210
1.00
18.21

ATOM
2433
CB
THR
486
1.411
0.029
3.005
1.00
17.08

ATOM
2434
OG1
THR
486
1.694
−1.343
3.282
1.00
18.82

ATOM
2435
HG1
THR
486
2.475
−1.504
3.830
1.00
0.00

ATOM
2436
CG2
THR
486
0.047
0.096
2.171
1.00
13.25

ATOM
2437
C
THR
486
3.888
0.251
2.992
1.00
18.39

ATOM
2438
O
THR
486
4.571
−0.707
2.683
1.00
19.56

ATOM
2439
N
PHE
487
4.175
1.007
4.044
1.00
17.49

ATOM
2440
H
PHE
487
3.611
1.738
4.267
1.00
0.00

ATOM
2441
CA
PHE
487
5.352
0.724
4.863
1.00
16.21

ATOM
2442
CB
PHE
487
5.700
1.948
5.713
1.00
14.94

ATOM
2443
CG
PHE
487
6.566
2.952
4.987
1.00
14.93

ATOM
2444
CD1
PHE
487
7.903
2.666
4.722
1.00
13.28

ATOM
2445
CD2
PHE
487
6.060
4.191
4.610
1.00
15.19

ATOM
2446
CE1
PHE
487
8.731
3.618
4.090
1.00
11.65

ATOM
2447
CE2
PHE
487
6.872
5.140
3.988
1.00
13.17

ATOM
2448
CZ
PHE
487
8.205
4.853
3.731
1.00
12.01

ATOM
2449
C
PHE
487
5.279
−0.564
5.729
1.00
15.90

ATOM
2450
O
PHE
487
6.333
−1.160
6.086
1.00
16.54

ATOM
2451
N
ASP
488
4.076
−0.949
6.138
1.00
16.31

ATOM
2452
H
ASP
488
3.307
−0.426
5.827
1.00
0.00

ATOM
2453
CA
ASP
488
3.880
−2.151
6.946
1.00
17.10

ATOM
2454
CB
ASP
488
2.404
−2.177
7.533
1.00
18.95

ATOM
2455
CG
ASP
488
2.133
−3.395
8.386
1.00
22.90

ATOM
2456
OD1
ASP
488
2.855
−3.651
9.373
1.00
26.64

ATOM
2457
OD2
ASP
488
1.200
−4.137
8.045
1.00
28.79

ATOM
2458
C
ASP
488
4.187
−3.376
6.030
1.00
18.13

ATOM
2459
O
ASP
488
4.707
−4.393
6.477
1.00
20.04

ATOM
2460
N
TYR
489
3.883
−3.264
4.735
1.00
17.91

ATOM
2461
H
TYR
489
3.486
−2.452
4.367
1.00
0.00

ATOM
2462
CA
TYR
489
4.208
−4.336
3.810
1.00
15.40

ATOM
2463
CB
TYR
489
3.551
−4.136
2.496
1.00
15.48

ATOM
2464
CG
TYR
489
3.988
−5.139
1.456
1.00
14.79

ATOM
2465
CD1
TYR
489
3.403
−6.397
1.386
1.00
16.26

ATOM
2466
CE1
TYR
489
3.800
−7.307
0.390
1.00
15.43

ATOM
2467
CD2
TYR
489
4.968
−4.826
0.536
1.00
13.11

ATOM
2468
CE2
TYR
489
5.368
−5.715
−0.425
1.00
11.08

ATOM
2469
CZ
TYR
489
4.799
−6.923
−0.506
1.00
11.96

ATOM
2470
OH
TYR
489
5.219
−7.783
−1.483
1.00
16.38

ATOM
2471
HH
TYR
489
4.724
−8.613
−1.471
1.00
0.00

ATOM
2472
C
TYR
489
5.718
−4.359
3.630
1.00
15.30

ATOM
2473
O
TYR
489
6.356
−5.460
3.666
1.00
17.43

ATOM
2474
N
LEU
490
6.319
−3.177
3.474
1.00
14.31

ATOM
2475
H
LEU
490
5.785
−2.355
3.464
1.00
0.00

ATOM
2476
CA
LEU
490
7.772
−3.114
3.334
1.00
14.38

ATOM
2477
CB
LEU
490
8.228
−1.722
3.186
1.00
12.38

ATOM
2478
CG
LEU
490
7.969
−1.153
1.709
1.00
11.90

ATOM
2479
CD1
LEU
490
8.027
0.398
1.710
1.00
10.35

ATOM
2480
CD2
LEU
490
8.994
−1.760
0.736
1.00
12.29

ATOM
2481
C
LEU
490
8.413
−3.763
4.545
1.00
17.01

ATOM
2482
O
LEU
490
9.231
−4.635
4.416
1.00
18.78

ATOM
2483
N
ARG
491
7.999
−3.352
5.735
1.00
17.63

ATOM
2484
H
ARG
491
7.260
−2.723
5.773
1.00
0.00

ATOM
2485
CA
ARG
491
8.539
−3.913
6.993
1.00
15.94

ATOM
2486
CB
ARG
491
7.802
−3.336
8.149
1.00
14.44

ATOM
2487
CG
ARG
491
8.195
−3.964
9.482
1.00
15.46

ATOM
2488
CD
ARG
491
7.081
−3.747
10.514
1.00
20.64

ATOM
2489
NE
ARG
491
5.803
−4.340
10.111
1.00
19.83

ATOM
2490
HE
ARG
491
5.132
−3.714
9.766
1.00
0.00

ATOM
2491
CZ
ARG
491
5.541
−5.631
10.218
1.00
22.19

ATOM
2492
NH1
ARG
491
6.464
−6.452
10.700
1.00
22.12

ATOM
2493
HH11
ARG
491
7.351
−6.065
10.929
1.00
0.00

ATOM
2494
HH12
ARG
491
6.306
−7.437
10.716
1.00
0.00

ATOM
2495
NH2
ARG
491
4.325
−6.100
9.940
1.00
23.21

ATOM
2496
HH21
ARG
491
3.632
−5.441
9.642
1.00
0.00

ATOM
2497
HH22
ARG
491
4.127
−7.086
9.962
1.00
0.00

ATOM
2498
C
ARG
491
8.328
−5.442
7.046
1.00
16.14

ATOM
2499
O
ARG
491
9.196
−6.168
7.449
1.00
17.22

ATOM
2500
N
SER
492
7.125
−5.894
6.691
1.00
16.65

ATOM
2501
H
SER
492
6.449
−5.290
6.339
1.00
0.00

ATOM
2502
CA
SER
492
6.848
−7.317
6.773
1.00
17.62

ATOM
2503
CB
SER
492
5.414
−7.546
6.521
1.00
18.72

ATOM
2504
OG
SER
492
5.149
−8.937
6.598
1.00
25.23

ATOM
2505
HG
SER
492
5.622
−9.499
5.982
1.00
0.00

ATOM
2506
C
SER
492
7.762
−8.144
5.829
1.00
16.59

ATOM
2507
O
SER
492
8.330
−9.159
6.249
1.00
14.51

ATOM
2508
N
VAL
493
8.020
−7.629
4.619
1.00
16.85

ATOM
2509
H
VAL
493
7.600
−6.790
4.362
1.00
0.00

ATOM
2510
CA
VAL
493
8.883
−8.346
3.703
1.00
16.09

ATOM
2511
CB
VAL
493
8.807
−7.809
2.262
1.00
17.22

ATOM
2512
CG1
VAL
493
9.693
−8.627
1.332
1.00
14.67

ATOM
2513
CG2
VAL
493
7.349
−7.867
1.763
1.00
16.77

ATOM
2514
C
VAL
493
10.342
−8.355
4.182
1.00
16.75

ATOM
2515
O
VAL
493
11.014
−9.431
4.135
1.00
16.21

ATOM
2516
N
LEU
494
10.791
−7.214
4.725
1.00
15.60

ATOM
2517
H
LEU
494
10.166
−6.462
4.783
1.00
0.00

ATOM
2518
CA
LEU
494
12.164
−7.046
5.216
1.00
15.45

ATOM
2519
CB
LEU
494
12.440
−5.609
5.544
1.00
13.77

ATOM
2520
CG
LEU
494
12.634
−4.628
4.318
1.00
14.20

ATOM
2521
CD1
LEU
494
12.502
−3.166
4.783
1.00
11.19

ATOM
2522
CD2
LEU
494
14.025
−4.864
3.670
1.00
15.83

ATOM
2523
C
LEU
494
12.417
−7.951
6.425
1.00
16.92

ATOM
2524
O
LEU
494
13.467
−8.565
6.534
1.00
15.85

ATOM
2525
N
GLU
495
11.411
−8.104
7.275
1.00
18.19

ATOM
2526
H
GLU
495
10.562
−7.650
7.116
1.00
0.00

ATOM
2527
CA
GLU
495
11.563
−9.005
8.419
1.00
19.83

ATOM
2528
CB
GLU
495
10.377
−8.894
9.412
1.00
19.83

ATOM
2529
CG
GLU
495
10.407
−7.577
10.171
1.00
20.97

ATOM
2530
CD
GLU
495
9.324
−7.458
11.238
1.00
20.35

ATOM
2531
OE1
GLU
495
8.688
−8.459
11.539
1.00
21.48

ATOM
2532
OE2
GLU
495
9.062
−6.348
11.721
1.00
22.23

ATOM
2533
C
GLU
495
11.709
−10.430
7.893
1.00
18.68

ATOM
2534
O
GLU
495
12.472
−11.208
8.419
1.00
17.21

ATOM
2535
N
ASP
496
10.979
−10.745
6.827
1.00
19.49

ATOM
2536
H
ASP
496
10.339
−10.114
6.425
1.00
0.00

ATOM
2537
CA
ASP
496
11.087
−12.064
6.216
1.00
18.59

ATOM
2538
CB
ASP
496
9.996
−12.297
5.239
1.00
17.71

ATOM
2539
CG
ASP
496
8.713
−12.730
5.914
1.00
20.26

ATOM
2540
OD1
ASP
496
8.790
−13.019
7.134
1.00
26.22

ATOM
2541
OD2
ASP
496
7.657
−12.803
5.267
1.00
18.08

ATOM
2542
C
ASP
496
12.458
−12.253
5.598
1.00
19.73

ATOM
2543
O
ASP
496
12.984
−13.369
5.631
1.00
20.26

ATOM
2544
N
PHE
497
13.061
−11.195
5.047
1.00
18.96

ATOM
2545
H
PHE
497
12.589
−10.339
5.015
1.00
0.00

ATOM
2546
CA
PHE
497
14.432
−11.348
4.474
1.00
17.79

ATOM
2547
CB
PHE
497
14.843
−10.118
3.567
1.00
15.41

ATOM
2548
CG
PHE
497
14.062
−9.991
2.297
1.00
11.70

ATOM
2549
CD1
PHE
497
13.263
−11.028
1.848
1.00
8.08

ATOM
2550
CD2
PHE
497
14.106
−8.794
1.568
1.00
13.08

ATOM
2551
CE1
PHE
497
12.505
−10.901
0.710
1.00
11.49

ATOM
2552
CE2
PHE
497
13.342
−8.646
0.390
1.00
13.55

ATOM
2553
CZ
PHE
497
12.530
−9.710
−0.039
1.00
11.88

ATOM
2554
C
PHE
497
15.451
−11.534
5.602
1.00
18.50

ATOM
2555
O
PHE
497
16.382
−12.266
5.499
1.00
18.78

ATOM
2556
N
PHE
498
15.194
−10.864
6.713
1.00
21.03

ATOM
2557
H
PHE
498
14.363
−10.344
6.741
1.00
0.00

ATOM
2558
CA
PHE
498
16.028
−10.922
7.910
1.00
21.11

ATOM
2559
CB
PHE
498
15.435
−9.884
8.929
1.00
22.41

ATOM
2560
CG
PHE
498
15.922
−10.054
10.336
1.00
24.93

ATOM
2561
CD1
PHE
498
17.267
−9.853
10.647
1.00
25.85

ATOM
2562
CD2
PHE
498
15.034
−10.433
11.345
1.00
25.18

ATOM
2563
CE1
PHE
498
17.750
−10.022
11.955
1.00
25.71

ATOM
2564
CE2
PHE
498
15.479
−10.617
12.663
1.00
26.62

ATOM
2565
CZ
PHE
498
16.862
−10.408
12.977
1.00
26.54

ATOM
2566
C
PHE
498
16.013
−12.341
8.512
1.00
21.44

ATOM
2567
O
PHE
498
17.034
−12.919
8.768
1.00
21.18

ATOM
2568
N
THR
499
14.824
−12.876
8.753
1.00
22.36

ATOM
2569
H
THR
499
14.026
−12.373
8.535
1.00
0.00

ATOM
2570
CA
THR
499
14.673
−14.218
9.309
1.00
25.41

ATOM
2571
CB
THR
499
13.186
−14.570
9.473
1.00
25.50

ATOM
2572
OG1
THR
499
12.606
−13.622
10.365
1.00
28.98

ATOM
2573
HG1
THR
499
13.045
−13.710
11.220
1.00
0.00

ATOM
2574
CG2
THR
499
12.983
−16.029
10.055
1.00
25.25

ATOM
2575
C
THR
499
15.332
−15.243
8.379
1.00
26.96

ATOM
2576
O
THR
499
15.991
−16.214
8.830
1.00
28.23

ATOM
2577
N
ALA
500
15.219
−15.008
7.080
1.00
26.49

ATOM
2578
H
ALA
500
14.765
−14.200
6.760
1.00
0.00

ATOM
2579
CA
ALA
500
15.802
−15.943
6.127
1.00
24.30

ATOM
2580
CB
ALA
500
15.086
−15.841
4.796
1.00
24.63

ATOM
2581
C
ALA
500
17.315
−15.823
5.955
1.00
22.92

ATOM
2582
O
ALA
500
17.918
−16.666
5.298
1.00
22.95

ATOM
2583
N
THR
501
17.931
−14.788
6.530
1.00
22.97

ATOM
2584
H
THR
501
17.409
−14.139
7.055
1.00
0.00

ATOM
2585
CA
THR
501
19.382
−14.653
6.410
1.00
23.90

ATOM
2586
CB
THR
501
19.790
−13.371
5.680
1.00
22.33

ATOM
2587
OG1
THR
501
19.169
−12.261
6.314
1.00
21.16

ATOM
2588
HG1
THR
501
19.504
−11.433
5.985
1.00
0.00

ATOM
2589
CG2
THR
501
19.404
−13.407
4.210
1.00
24.64

ATOM
2590
C
THR
501
20.170
−14.721
7.725
1.00
25.31

ATOM
2591
O
THR
501
19.582
−15.160
8.750
1.00
27.07

ATOM
2592
O4
ST
1
23.376
15.962
13.262
1.00
18.86

ATOM
2593
C25
ST
1
24.037
14.733
13.474
1.00
17.77

ATOM
2594
C24
ST
1
24.119
13.901
12.172
1.00
17.76

ATOM
2595
C23
ST
1
23.338
14.679
11.014
1.00
19.80

ATOM
2596
C22
ST
1
21.947
15.107
11.537
1.00
18.56

ATOM
2597
C21
ST
1
22.105
16.108
12.668
1.00
18.03

ATOM
2598
C26
ST
1
21.993
17.529
12.122
1.00
18.55

ATOM
2599
N2
ST
1
21.105
15.915
13.744
1.00
17.71

ATOM
2600
C18
ST
1
21.273
15.092
14.939
1.00
14.79

ATOM
2601
C19
ST
1
22.424
14.294
15.356
1.00
12.76

ATOM
2602
C6
ST
1
22.347
13.472
16.578
1.00
11.97

ATOM
2603
C7
ST
1
21.201
13.512
17.306
1.00
12.66

ATOM
2604
C10
ST
1
20.098
14.278
16.921
1.00
12.81

ATOM
2605
C11
ST
1
20.078
15.041
15.785
1.00
12.66

ATOM
2606
C12
ST
1
19.251
15.861
15.008
1.00
14.35

ATOM
2607
C17
ST
1
19.813
16.398
13.804
1.00
16.23

ATOM
2608
C16
ST
1
19.077
17.182
12.931
1.00
14.41

ATOM
2609
C15
ST
1
17.723
17.493
13.195
1.00
13.93

ATOM
2610
C14
ST
1
17.118
16.998
14.371
1.00
13.32

ATOM
2611
C13
ST
1
17.877
16.172
15.296
1.00
14.59

ATOM
2612
C9
ST
1
19.044
14.063
17.920
1.00
14.21

ATOM
2613
N1
ST
1
19.619
13.009
18.773
1.00
14.53

ATOM
2614
C8
ST
1
20.878
12.779
18.502
1.00
13.43

ATOM
2615
O5
ST
1
21.618
12.048
19.144
1.00
15.60

ATOM
2616
C5
ST
1
23.639
12.861
16.543
1.00
12.06

ATOM
2617
C20
ST
1
24.389
13.248
15.473
1.00
10.11

ATOM
2618
C1
ST
1
25.673
12.757
15.296
1.00
12.74

ATOM
2619
C2
ST
1
26.262
11.835
16.184
1.00
10.91

ATOM
2620
C3
ST
1
25.447
11.442
17.298
1.00
11.95

ATOM
2621
C4
ST
1
24.179
11.932
17.459
1.00
13.43

ATOM
2622
N3
ST
1
23.614
14.128
14.731
1.00
14.16

ATOM
2623
O6
ST
1
21.342
13.924
12.005
1.00
21.51

ATOM
2624
C27
ST
1
19.985
13.789
11.735
1.00
18.21

ATOM
2625
N4
ST
1
23.159
13.846
9.756
1.00
20.15

ATOM
2626
C28
ST
1
24.409
13.392
9.202
1.00
20.53

ATOM
2627
H3
ST
1
19.021
12.466
19.347
0.00
0.00

ATOM
2628
H6
ST
1
22.585
13.040
9.967
0.00
0.00

ATOM
2629
OH2
TIP3
1
6.517
2.211
20.496
1.00
20.01

ATOM
2630
H1
TIP3
1
5.949
1.986
19.762
1.00
0.00

ATOM
2631
H2
TIP3
1
6.867
3.077
20.293
1.00
0.00

ATOM
2632
OH2
TIP3
2
23.888
1.173
−8.373
1.00
19.41

ATOM
2633
H1
TIP3
2
24.765
1.403
−8.021
1.00
0.00

ATOM
2634
H2
TIP3
2
23.979
0.266
−8.633
1.00
0.00

ATOM
2635
OH2
TIP3
3
14.793
14.578
15.523
1.00
23.65

ATOM
2636
H1
TIP3
3
14.683
13.658
15.732
1.00
0.00

ATOM
2637
H2
TIP3
3
13.897
14.935
15.598
1.00
0.00

ATOM
2638
OH2
TIP3
4
14.813
20.370
11.284
1.00
19.15

ATOM
2639
H1
TIP3
4
14.908
21.322
11.224
1.00
0.00

ATOM
2640
H2
TIP3
4
15.134
20.025
10.453
1.00
0.00

ATOM
2641
OH2
TIP3
5
21.388
10.218
3.342
1.00
12.51

ATOM
2642
H1
TIP3
5
20.756
10.518
3.997
1.00
0.00

ATOM
2643
H2
TIP3
5
20.848
10.076
2.563
1.00
0.00

ATOM
2644
OH2
TIP3
6
22.161
4.192
−11.347
1.00
8.95

ATOM
2645
H1
TIP3
6
21.743
4.999
−11.635
1.00
0.00

ATOM
2646
H2
TIP3
6
22.996
4.478
−10.960
1.00
0.00

ATOM
2647
OH2
TIP3
7
11.093
15.802
8.283
1.00
20.27

ATOM
2648
H1
TIP3
7
10.401
16.310
8.697
1.00
0.00

ATOM
2649
H2
TIP3
7
10.668
14.976
8.044
1.00
0.00

ATOM
2650
OH2
TIP3
8
9.876
−5.493
−8.312
1.00
23.01

ATOM
2651
H1
TIP3
8
10.813
−5.582
−8.133
1.00
0.00

ATOM
2652
H2
TIP3
8
9.586
−4.843
−7.663
1.00
0.00

ATOM
2653
OH2
TIP3
9
8.458
7.989
22.600
1.00
17.24

ATOM
2654
H1
TIP3
9
9.063
7.312
22.926
1.00
0.00

ATOM
2655
H2
TIP3
9
8.105
8.381
23.397
1.00
0.00

ATOM
2656
OH2
TIP3
10
19.146
13.159
34.961
1.00
16.45

ATOM
2657
H1
TIP3
10
19.056
12.916
35.886
1.00
0.00

ATOM
2658
H2
TIP3
10
19.715
13.930
34.988
1.00
0.00

ATOM
2659
OH2
TIP3
11
24.991
3.972
−4.565
1.00
7.57

ATOM
2660
H1
TIP3
11
25.201
4.457
−3.779
1.00
0.00

ATOM
2661
H2
TIP3
11
25.293
4.581
−5.267
1.00
0.00

ATOM
2662
OH2
TIP3
12
10.529
25.210
33.269
1.00
18.47

ATOM
2663
H1
TIP3
12
9.837
25.534
33.836
1.00
0.00

ATOM
2664
H2
TIP3
12
11.241
25.854
33.352
1.00
0.00

ATOM
2665
OH2
TIP3
13
23.161
21.501
34.683
1.00
29.82

ATOM
2666
H1
TIP3
13
22.315
21.230
34.326
1.00
0.00

ATOM
2667
H2
TIP3
13
22.950
22.195
35.310
1.00
0.00

ATOM
2668
OH2
TIP3
14
12.297
6.875
20.938
1.00
19.26

ATOM
2669
H1
TIP3
14
12.723
7.493
20.346
1.00
0.00

ATOM
2670
H2
TIP3
14
11.595
6.484
20.411
1.00
0.00

ATOM
2671
OH2
TIP3
15
20.111
−8.413
14.282
1.00
20.80

ATOM
2672
H1
TIP3
15
20.505
−8.966
14.954
1.00
0.00

ATOM
2673
H2
TIP3
15
20.310
−8.867
13.463
1.00
0.00

ATOM
2674
OH2
TIP3
16
29.098
14.343
15.070
1.00
15.49

ATOM
2675
H1
TIP3
16
28.331
14.021
14.586
1.00
0.00

ATOM
2676
H2
TIP3
16
29.652
13.551
15.085
1.00
0.00

ATOM
2677
OH2
TIP3
17
19.576
8.499
−20.847
1.00
28.76

ATOM
2678
H1
TIP3
17
19.507
8.090
−21.711
1.00
0.00

ATOM
2679
H2
TIP3
17
19.655
7.763
−20.240
1.00
0.00

ATOM
2680
OH2
TIP3
18
14.519
11.066
−8.110
1.00
14.85

ATOM
2681
H1
TIP3
18
14.232
11.312
−7.235
1.00
0.00

ATOM
2682
H2
TIP3
18
15.469
11.126
−8.100
1.00
0.00

ATOM
2683
OH2
TIP3
19
18.756
10.068
25.593
1.00
28.39

ATOM
2684
H1
TIP3
19
18.362
10.481
26.363
1.00
0.00

ATOM
2685
H2
TIP3
19
18.102
9.407
25.348
1.00
0.00

ATOM
2686
OH2
TIP3
20
24.358
−12.146
7.162
1.00
22.74

ATOM
2687
H1
TIP3
20
24.341
−13.067
7.457
1.00
0.00

ATOM
2688
H2
TIP3
20
23.722
−12.129
6.449
1.00
0.00

ATOM
2689
OH2
TIP3
21
10.996
11.323
1.931
1.00
18.22

ATOM
2690
H1
TIP3
21
10.201
10.822
1.704
1.00
0.00

ATOM
2691
H2
TIP3
21
10.923
11.504
2.863
1.00
0.00

ATOM
2692
OH2
TIP3
22
13.620
16.380
1.296
1.00
18.01

ATOM
2693
H1
TIP3
22
12.732
16.655
1.058
1.00
0.00

ATOM
2694
H2
TIP3
22
14.129
17.194
1.242
1.00
0.00

ATOM
2695
OH2
TIP3
23
10.065
−0.946
17.954
1.00
14.46

ATOM
2696
H1
TIP3
23
10.656
−0.844
18.696
1.00
0.00

ATOM
2697
H2
TIP3
23
10.579
−1.498
17.355
1.00
0.00

ATOM
2698
OH2
TIP3
24
17.634
3.314
21.572
1.00
24.12

ATOM
2699
H1
TIP3
24
16.794
2.921
21.826
1.00
0.00

ATOM
2700
H2
TIP3
24
18.033
2.592
21.069
1.00
0.00

ATOM
2701
OH2
TIP3
25
24.916
9.813
31.574
1.00
27.68

ATOM
2702
H1
TIP3
25
25.542
9.864
30.852
1.00
0.00

ATOM
2703
H2
TIP3
25
24.588
10.708
31.674
1.00
0.00

ATOM
2704
OH2
TIP3
26
23.174
8.094
34.222
1.00
21.61

ATOM
2705
H1
TIP3
26
23.091
7.359
34.830
1.00
0.00

ATOM
2706
H2
TIP3
26
22.319
8.508
34.215
1.00
0.00

ATOM
2707
OH2
TIP3
27
16.747
14.845
37.895
1.00
34.86

ATOM
2708
H1
TIP3
27
16.883
15.380
37.110
1.00
0.00

ATOM
2709
H2
TIP3
27
15.805
14.679
37.910
1.00
0.00

ATOM
2710
OH2
TIP3
28
22.422
−5.093
19.257
1.00
19.54

ATOM
2711
H1
TIP3
28
22.779
−5.865
19.710
1.00
0.00

ATOM
2712
H2
TIP3
28
22.075
−4.560
19.975
1.00
0.00

ATOM
2713
OH2
TIP3
29
24.837
1.492
−5.952
1.00
28.59

ATOM
2714
H1
TIP3
29
24.266
2.247
−5.830
1.00
0.00

ATOM
2715
H2
TIP3
29
25.489
1.556
−5.259
1.00
0.00

ATOM
2716
OH2
TIP3
30
23.484
11.950
3.060
1.00
29.96

ATOM
2717
H1
TIP3
30
23.128
11.096
2.835
1.00
0.00

ATOM
2718
H2
TIP3
30
24.414
11.914
2.835
1.00
0.00

ATOM
2719
OH2
TIP3
31
19.354
5.801
22.084
1.00
25.82

ATOM
2720
H1
TIP3
31
18.897
4.986
22.322
1.00
0.00

ATOM
2721
H2
TIP3
31
18.735
6.468
22.370
1.00
0.00

ATOM
2722
OH2
TIP3
32
30.921
34.934
3.443
1.00
27.71

ATOM
2723
H1
TIP3
32
30.672
35.854
3.379
1.00
0.00

ATOM
2724
H2
TIP3
32
30.846
34.592
2.559
1.00
0.00

ATOM
2725
OH2
TIP3
33
−10.966
16.637
5.119
1.00
29.50

ATOM
2726
H1
TIP3
33
−10.948
15.990
5.830
1.00
0.00

ATOM
2727
H2
TIP3
33
−10.050
16.912
5.033
1.00
0.00

ATOM
2728
OH2
TIP3
34
12.163
13.497
−0.169
1.00
30.67

ATOM
2729
H1
TIP3
34
12.513
12.876
−0.806
1.00
0.00

ATOM
2730
H2
TIP3
34
12.386
14.356
−0.534
1.00
0.00

ATOM
2731
OH2
TIP3
35
11.748
−0.869
22.150
1.00
14.70

ATOM
2732
H1
TIP3
35
12.187
−1.652
21.807
1.00
0.00

ATOM
2733
H2
TIP3
35
12.105
−0.139
21.649
1.00
0.00

ATOM
2734
OH2
TIP3
36
14.312
24.635
−0.442
1.00
60.61

ATOM
2735
H1
TIP3
36
13.804
25.308
0.022
1.00
0.00

ATOM
2736
H2
TIP3
36
13.692
23.910
−0.529
1.00
0.00

ATOM
2737
OH2
TIP3
37
26.226
0.319
−9.761
1.00
13.73

ATOM
2738
H1
TIP3
37
26.101
−0.460
−9.216
1.00
0.00

ATOM
2739
H2
TIP3
37
25.357
0.573
−10.069
1.00
0.00

ATOM
2740
OH2
TIP3
38
17.271
5.971
24.232
1.00
23.96

ATOM
2741
H1
TIP3
38
17.342
6.667
23.573
1.00
0.00

ATOM
2742
H2
TIP3
38
16.341
5.937
24.427
1.00
0.00

ATOM
2743
OH2
TIP3
39
25.957
−4.980
1.577
1.00
38.64

ATOM
2744
H1
TIP3
39
26.117
−5.860
1.933
1.00
0.00

ATOM
2745
H2
TIP3
39
25.727
−5.151
0.668
1.00
0.00

ATOM
2746
OH2
TIP3
40
24.913
12.754
−19.750
1.00
36.59

ATOM
2747
H1
TIP3
40
24.264
12.996
−20.408
1.00
0.00

ATOM
2748
H2
TIP3
40
24.930
13.512
−19.172
1.00
0.00

ATOM
2749
OH2
TIP3
41
26.339
24.593
28.616
1.00
21.60

ATOM
2750
H1
TIP3
41
25.830
23.797
28.729
1.00
0.00

ATOM
2751
H2
TIP3
41
25.665
25.288
28.759
1.00
0.00

ATOM
2752
OH2
TIP3
42
14.340
12.331
0.840
1.00
20.08

ATOM
2753
H1
TIP3
42
13.590
12.030
0.335
1.00
0.00

ATOM
2754
H2
TIP3
42
14.281
11.851
1.674
1.00
0.00

ATOM
2755
OH2
TIP3
43
15.280
33.615
15.104
1.00
46.72

ATOM
2756
H1
TIP3
43
14.523
33.031
15.132
1.00
0.00

ATOM
2757
H2
TIP3
43
15.575
33.603
14.190
1.00
0.00

ATOM
2758
OH2
TIP3
44
8.930
8.166
−12.815
1.00
42.72

ATOM
2759
H1
TIP3
44
9.820
7.830
−12.969
1.00
0.00

ATOM
2760
H2
TIP3
44
8.652
8.414
−13.699
1.00
0.00

ATOM
2761
OH2
TIP3
45
1.339
19.546
10.037
1.00
21.17

ATOM
2762
H1
TIP3
45
1.447
19.140
9.172
1.00
0.00

ATOM
2763
H2
TIP3
45
0.394
19.609
10.151
1.00
0.00

ATOM
2764
OH2
TIP3
46
13.864
18.011
7.695
1.00
22.29

ATOM
2765
H1
TIP3
46
13.475
17.665
6.887
1.00
0.00

ATOM
2766
H2
TIP3
46
14.516
17.368
7.958
1.00
0.00

ATOM
2767
OH2
TIP3
47
27.243
10.851
12.729
1.00
26.46

ATOM
2768
H1
TIP3
47
26.839
10.445
13.494
1.00
0.00

ATOM
2769
H2
TIP3
47
26.674
10.683
11.987
1.00
0.00

ATOM
2770
OH2
TIP3
48
12.725
27.550
30.496
1.00
24.99

ATOM
2771
H1
TIP3
48
13.491
27.322
31.015
1.00
0.00

ATOM
2772
H2
TIP3
48
13.051
27.416
29.606
1.00
0.00

ATOM
2773
OH2
TIP3
49
21.535
−6.372
21.739
1.00
24.70

ATOM
2774
H1
TIP3
49
21.644
−7.118
22.319
1.00
0.00

ATOM
2775
H2
TIP3
49
21.152
−5.686
22.286
1.00
0.00

ATOM
2776
OH2
TIP3
50
24.320
8.385
0.613
1.00
13.64

ATOM
2777
H1
TIP3
50
23.745
7.712
0.281
1.00
0.00

ATOM
2778
H2
TIP3
50
23.745
9.100
0.896
1.00
0.00

ATOM
2779
OH2
TIP3
51
9.319
9.430
19.657
1.00
24.49

ATOM
2780
H1
TIP3
51
9.348
8.520
19.363
1.00
0.00

ATOM
2781
H2
TIP3
51
10.083
9.839
19.267
1.00
0.00

ATOM
2782
OH2
TIP3
52
17.901
−12.363
−3.289
1.00
27.96

ATOM
2783
H1
TIP3
52
18.848
−12.263
−3.237
1.00
0.00

ATOM
2784
H2
TIP3
52
17.687
−12.119
−4.193
1.00
0.00

ATOM
2785
OH2
TIP3
53
11.610
−15.830
5.989
1.00
37.12

ATOM
2786
H1
TIP3
53
12.506
−15.536
6.156
1.00
0.00

ATOM
2787
H2
TIP3
53
11.585
−16.733
6.315
1.00
0.00

ATOM
2788
OH2
TIP3
54
24.830
4.321
−11.949
1.00
21.87

ATOM
2789
H1
TIP3
54
24.107
4.753
−11.500
1.00
0.00

ATOM
2790
H2
TIP3
54
25.538
4.333
−11.305
1.00
0.00

ATOM
2791
OH2
TIP3
55
10.476
13.377
−13.239
1.00
43.30

ATOM
2792
H1
TIP3
55
10.569
14.007
−13.954
1.00
0.00

ATOM
2793
H2
TIP3
55
10.986
12.612
−13.512
1.00
0.00

ATOM
2794
OH2
TIP3
56
8.184
9.596
−18.487
1.00
41.53

ATOM
2795
H1
TIP3
56
7.857
10.495
−18.361
1.00
0.00

ATOM
2796
H2
TIP3
56
7.759
9.126
−17.768
1.00
0.00

ATOM
2797
OH2
TIP3
57
16.681
−13.562
1.558
1.00
33.24

ATOM
2798
H1
TIP3
57
15.881
−13.292
2.030
1.00
0.00

ATOM
2799
H2
TIP3
57
16.332
−13.641
0.666
1.00
0.00

ATOM
2800
OH2
T1P3
58
23.162
4.448
−2.421
1.00
19.21

ATOM
2801
H1
TIP3
58
24.099
4.507
−2.611
1.00
0.00

ATOM
2802
H2
TIP3
58
22.882
3.676
−2.921
1.00
0.00

ATOM
2803
OH2
TIP3
59
8.722
22.125
−4.605
1.00
42.38

ATOM
2804
H1
TIP3
59
9.569
22.069
−5.051
1.00
0.00

ATOM
2805
H2
TIP3
59
8.095
21.817
−5.259
1.00
0.00

ATOM
2806
OH2
TIP3
60
22.194
5.294
22.020
1.00
13.57

ATOM
2807
H1
TIP3
60
22.869
4.686
22.290
1.00
0.00

ATOM
2808
H2
TIP3
60
22.622
6.156
22.061
1.00
0.00

ATOM
2809
OH2
TIP3
61
15.626
4.338
−8.924
1.00
9.25

ATOM
2810
H1
TIP3
61
16.181
4.810
−9.547
1.00
0.00

ATOM
2811
H2
TIP3
61
15.389
5.013
−8.277
1.00
0.00

ATOM
2812
OH2
TIP3
62
1.456
−2.439
−0.003
1.00
16.63

ATOM
2813
H1
TIP3
62
0.545
−2.750
0.172
1.00
0.00

ATOM
2814
H2
TIP3
62
1.690
−2.869
−0.835
1.00
0.00

ATOM
2815
OH2
TIP3
63
19.448
3.892
25.249
1.00
25.00

ATOM
2816
H1
TIP3
63
19.870
3.659
24.418
1.00
0.00

ATOM
2817
H2
TIP3
63
18.571
4.187
25.015
1.00
0.00

ATOM
2818
OH2
TIP3
64
23.375
25.631
27.767
1.00
27.77

ATOM
2819
H1
TIP3
64
22.804
24.868
27.864
1.00
0.00

ATOM
2820
H2
TIP3
64
22.905
26.154
27.102
1.00
0.00

ATOM
2821
OH2
TIP3
65
7.243
−10.754
8.298
1.00
29.34

ATOM
2822
H1
TIP3
65
7.853
−10.851
7.574
1.00
0.00

ATOM
2823
H2
TIP3
65
6.896
−9.861
8.204
1.00
0.00

ATOM
2824
OH2
TIP3
66
12.929
11.295
37.828
1.00
18.52

ATOM
2825
H1
TIP3
66
12.648
12.224
37.849
1.00
0.00

ATOM
2826
H2
TIP3
66
12.808
11.102
36.901
1.00
0.00

ATOM
2827
OH2
TIP3
67
4.154
−0.440
23.218
1.00
24.11

ATOM
2828
H1
TIP3
67
5.013
−0.044
23.277
1.00
0.00

ATOM
2829
H2
TIP3
67
3.562
0.081
23.764
1.00
0.00

ATOM
2830
OH2
TIP3
68
27.231
−9.773
4.376
1.00
27.30

ATOM
2831
H1
TIP3
68
28.168
−9.686
4.210
1.00
0.00

ATOM
2832
H2
TIP3
68
26.953
−10.590
3.969
1.00
0.00

ATOM
2833
OH2
TIP3
69
28.454
31.977
3.035
1.00
20.42

ATOM
2834
H1
TIP3
69
28.584
32.925
3.036
1.00
0.00

ATOM
2835
H2
TIP3
69
28.603
31.722
2.126
1.00
0.00

ATOM
2836
OH2
TIP3
70
8.113
22.533
2.005
1.00
24.77

ATOM
2837
H1
TIP3
70
7.214
22.673
1.727
1.00
0.00

ATOM
2838
H2
TIP3
70
8.634
23.007
1.341
1.00
0.00

ATOM
2839
OH2
TIP3
71
30.042
12.207
18.067
1.00
43.89

ATOM
2840
H1
TIP3
71
30.111
12.235
17.121
1.00
0.00

ATOM
2841
H2
TIP3
71
29.182
11.841
18.260
1.00
0.00

ATOM
2842
OH2
TIP3
72
26.286
11.383
33.184
1.00
25.75

ATOM
2843
H1
TIP3
72
27.197
11.246
32.929
1.00
0.00

ATOM
2844
H2
TIP3
72
25.807
10.668
32.767
1.00
0.00

ATOM
2845
OH2
TIP3
73
3.197
2.443
−11.726
1.00
23.66

ATOM
2846
H1
TIP3
73
2.723
1.702
−12.120
1.00
0.00

ATOM
2847
H2
TIP3
73
3.917
2.566
−12.349
1.00
0.00

ATOM
2848
OH2
TIP3
74
24.848
16.621
−16.050
1.00
35.36

ATOM
2849
H1
TIP3
74
25.080
15.696
−16.053
1.00
0.00

ATOM
2850
H2
TIP3
74
24.467
16.780
−15.182
1.00
0.00

ATOM
2851
OH2
TIP3
75
28.748
11.033
20.165
1.00
27.06

ATOM
2852
H1
TIP3
75
28.304
10.196
20.325
1.00
0.00

ATOM
2853
H2
TIP3
75
28.526
11.598
20.897
1.00
0.00

ATOM
2854
OH2
TIP3
76
24.947
4.338
−14.788
1.00
29.79

ATOM
2855
H1
TIP3
76
25.201
4.516
−13.884
1.00
0.00

ATOM
2856
H2
TIP3
76
24.689
3.418
−14.805
1.00
0.00

ATOM
2857
OH2
TIP3
77
4.978
−1.866
21.322
1.00
20.02

ATOM
2858
H1
TIP3
77
5.569
−1.335
21.868
1.00
0.00

ATOM
2859
H2
TIP3
77
5.509
−2.052
20.557
1.00
0.00

ATOM
2860
OH2
TIP3
78
9.328
−4.527
20.882
1.00
19.63

ATOM
2861
H1
TIP3
78
8.884
−4.147
21.650
1.00
0.00

ATOM
2862
H2
TIP3
78
9.545
−5.416
21.162
1.00
0.00

ATOM
2863
OH2
TIP3
79
2.670
10.847
−4.036
1.00
22.24

ATOM
2864
H1
TIP3
79
1.816
11.198
−3.775
1.00
0.00

ATOM
2865
H2
TIP3
79
2.708
10.973
−4.982
1.00
0.00

ATOM
2866
OH2
TIP3
80
22.246
−9.802
12.772
1.00
25.94

ATOM
2867
H1
TIP3
80
22.749
−9.141
13.238
1.00
0.00

ATOM
2868
H2
TIP3
80
22.546
−9.702
11.866
1.00
0.00

ATOM
2869
OH2
TIP3
81
7.029
−0.856
19.878
1.00
37.16

ATOM
2870
H1
TIP3
81
7.543
−0.814
19.077
1.00
0.00

ATOM
2871
H2
TIP3
81
6.333
−1.490
19.690
1.00
0.00

ATOM
2872
OH2
TIP3
82
17.285
16.019
−17.018
1.00
33.09

ATOM
2873
H1
TIP3
82
18.165
16.353
−17.112
1.00
0.00

ATOM
2874
H2
TIP3
82
16.762
16.339
−17.752
1.00
0.00

ATOM
2875
OH2
TIP3
83
29.660
−3.470
14.827
1.00
41.75

ATOM
2876
H1
TIP3
83
29.776
−2.719
15.392
1.00
0.00

ATOM
2877
H2
TIP3
83
29.536
−3.143
13.935
1.00
0.00

ATOM
2878
OH2
TIP3
84
23.373
18.925
33.445
1.00
18.30

ATOM
2879
H1
TIP3
84
23.827
18.238
32.962
1.00
0.00

ATOM
2880
H2
TIP3
84
23.637
18.815
34.358
1.00
0.00

ATOM
2881
OH2
TIP3
85
29.774
18.689
13.797
1.00
25.00

ATOM
2882
H1
TIP3
85
29.226
18.047
14.254
1.00
0.00

ATOM
2883
H2
TIP3
85
29.616
18.471
12.860
1.00
0.00

ATOM
2884
OH2
TIP3
86
19.222
22.651
12.896
1.00
41.10

ATOM
2885
H1
TIP3
86
18.387
22.243
12.681
1.00
0.00

ATOM
2886
H2
TIP3
86
19.155
23.577
12.720
1.00
0.00

ATOM
2887
OH2
TIP3
87
19.264
9.008
33.345
1.00
16.06

ATOM
2888
H1
TIP3
87
20.053
9.435
33.017
1.00
0.00

ATOM
2889
H2
TIP3
87
18.539
9.508
32.971
1.00
0.00

ATOM
2890
OH2
TIP3
88
17.193
31.560
19.358
1.00
22.78

ATOM
2891
H1
TIP3
88
17.917
31.039
18.977
1.00
0.00

ATOM
2892
H2
TIP3
88
16.697
30.952
19.887
1.00
0.00

ATOM
2893
OH2
TIP3
89
33.118
15.226
17.727
1.00
30.04

ATOM
2894
H1
TIP3
89
33.617
14.823
18.424
1.00
0.00

ATOM
2895
H2
TIP3
89
33.757
15.316
17.014
1.00
0.00

ATOM
2896
OH2
TIP3
90
33.083
12.742
17.404
1.00
45.97

ATOM
2897
H1
TIP3
90
33.230
13.651
17.642
1.00
0.00

ATOM
2898
H2
TIP3
90
33.610
12.603
16.616
1.00
0.00

ATOM
2899
OH2
TIP3
91
35.720
16.467
19.366
1.00
37.00

ATOM
2900
H1
TIP3
91
36.613
16.451
19.051
1.00
0.00

ATOM
2901
H2
TIP3
91
35.802
16.480
20.326
1.00
0.00

ATOM
2902
OH2
TIP3
92
26.924
12.475
6.484
1.00
51.46

ATOM
2903
H1
TIP3
92
26.794
13.335
6.083
1.00
0.00

ATOM
2904
H2
TIP3
92
26.946
12.644
7.419
1.00
0.00

ATOM
2905
OH2
TIP3
93
26.305
−7.733
11.649
1.00
20.78

ATOM
2906
H1
TIP3
93
26.704
−7.211
12.346
1.00
0.00

ATOM
2907
H2
TIP3
93
26.998
−7.761
10.998
1.00
0.00

ATOM
2908
OH2
TIP3
94
10.997
−4.417
12.149
1.00
18.84

ATOM
2909
H1
TIP3
94
10.097
−4.440
12.491
1.00
0.00

ATOM
2910
H2
TIP3
94
10.961
−4.949
11.354
1.00
0.00

ATOM
2911
OH2
TIP3
95
1.920
3.830
1.638
1.00
29.44

ATOM
2912
H1
TIP3
95
1.960
4.664
1.204
1.00
0.00

ATOM
2913
H2
TIP3
95
2.790
3.542
1.906
1.00
0.00

ATOM
2914
OH2
TIP3
96
−1.564
21.052
0.889
1.00
23.38

ATOM
2915
H1
TIP3
96
−1.888
21.810
1.398
1.00
0.00

ATOM
2916
H2
TIP3
96
−0.632
21.284
0.826
1.00
0.00

ATOM
2917
OH2
TIP3
97
−2.718
17.469
3.774
1.00
28.74

ATOM
2918
H1
TIP3
97
−2.507
18.204
4.419
1.00
0.00

ATOM
2919
H2
TIP3
97
−3.529
17.203
4.218
1.00
0.00

ATOM
2920
OH2
TIP3
98
3.015
29.172
−2.642
1.00
33.39

ATOM
2921
H1
T1P3
98
3.393
30.020
−2.897
1.00
0.00

ATOM
2922
H2
TIP3
98
3.701
28.551
−2.906
1.00
0.00

ATOM
2923
OH2
TIP3
99
18.425
20.907
−2.236
1.00
28.66

ATOM
2924
H1
TIP3
99
19.345
21.037
−2.009
1.00
0.00

ATOM
2925
H2
TIP3
99
17.945
21.469
−1.617
1.00
0.00

ATOM
2926
OH2
TIP3
100
13.588
20.209
−6.382
1.00
35.90

ATOM
2927
H1
TIP3
100
13.551
19.686
−7.194
1.00
0.00

ATOM
2928
H2
TIP3
100
12.832
20.792
−6.443
1.00
0.00

ATOM
2929
OH2
TIP3
101
10.108
12.096
−1.198
1.00
22.97

ATOM
2930
H1
TIP3
101
9.369
12.540
−1.616
1.00
0.00

ATOM
2931
H2
TIP3
101
9.967
11.170
−1.308
1.00
0.00

ATOM
2932
OH2
TIP3
102
−1.402
1.556
−0.692
1.00
17.05

ATOM
2933
H1
TIP3
102
−1.607
0.966
0.025
1.00
0.00

ATOM
2934
H2
TIP3
102
−2.276
1.818
−1.015
1.00
0.00

ATOM
2935
OH2
TIP3
103
15.292
8.779
−7.026
1.00
16.61

ATOM
2936
H1
TIP3
103
15.209
9.331
−6.248
1.00
0.00

ATOM
2937
H2
TIPS
103
14.543
9.023
−7.562
1.00
0.00

ATOM
2938
OH2
TIP3
104
27.772
9.587
−7.527
1.00
25.34

ATOM
2939
H1
TIP3
104
28.437
8.954
−7.235
1.00
0.00

ATOM
2940
H2
TIP3
104
28.290
10.352
−7.779
1.00
0.00

ATOM
2941
OH2
TIP3
105
25.055
18.779
−14.718
1.00
28.73

ATOM
2942
H1
TIP3
105
25.107
19.738
−14.794
1.00
0.00

ATOM
2943
H2
TIP3
105
24.353
18.669
−14.068
1.00
0.00

ATOM
2944
OH2
TIP3
106
5.517
1.787
−12.490
1.00
21.47

ATOM
2945
H1
TIP3
106
4.713
1.532
−12.958
1.00
0.00

ATOM
2946
H2
TIP3
106
6.184
1.212
−12.855
1.00
0.00

ATOM
2947
OH2
TIP3
107
−2.687
1.992
1.471
1.00
32.09

ATOM
2948
H1
TIP3
107
−2.168
1.206
1.433
1.00
0.00

ATOM
2949
H2
TIP3
107
−3.476
1.782
0.941
1.00
0.00

ATOM
2950
OH2
TIP3
108
−1.458
4.745
3.142
1.00
27.51

ATOM
2951
H1
TIP3
108
−2.137
5.265
2.689
1.00
0.00

ATOM
2952
H2
TIP3
108
−1.943
4.258
3.798
1.00
0.00

ATOM
2953
OH2
TIP3
109
21.369
7.191
32.224
1.00
24.45

ATOM
2954
H1
TIP3
109
22.267
7.525
32.217
1.00
0.00

ATOM
2955
H2
TIP3
109
21.308
6.676
31.411
1.00
0.00

ATOM
2956
OH2
TIP3
117
8.732
12.733
20.400
1.00
16.75

ATOM
2957
H1
TIP3
117
8.727
12.486
21.327
1.00
0.00

ATOM
2958
H2
TIP3
117
8.348
11.969
19.973
1.00
0.00

ATOM
2959
S
SO4
901
14.850
0.909
21.260
1.00
16.21

ATOM
2960
O1
SO4
901
14.894
2.173
21.788
1.00
19.01

ATOM
2961
O2
SO4
901
13.563
0.648
20.809
1.00
18.32

ATOM
2962
O3
SO4
901
15.746
0.812
20.149
1.00
19.91

ATOM
2963
O4
SO4
901
15.265
−0.075
22.214
1.00
16.95

END

[0236]

8

TABLE 6

Table of the statistics of diffraction data and refined complex structures

Reso
Rsym (*)
Complete
unique
observed
Rref
Rfree

AMP-PNP1
1.6O
5.9 (14.5%)
98 (96%)
38,529
258,235
20.0%
23.0%

AMP-PNP2
2.2O
4.2 (11.6%)
96 (95%)
15,024
54,174
23.7%
27.0%

Staurosporine
2.0O
5.9 (12.1%)
99 (100%)
20,010
161,934
19.5%
23.7%

PP2
2.0O
8.2 (19.8%)
93 (90%)
19,946
53,618
18.9%
25.4%

[0237] Note: Rsyms in the parentheses are for the highest resolution shell. Fobs greater than 1σ are used in the structural refinement. In all the structures residues 231 to 501 of Lck are included in the final refined model with water molecules added. The N- and C- terminal segments (GS-225-230 and 502-509) are however disordered (GS are the two extra residues left from the thrombin cleavage). The RMS bond length and angles for the AMP-PNP/Lck complex, staurosporine and PP2 are 0.018∘/2.1°, 0.019∘/2.0°, 0.018∘/1.8°, respectively. AMP-PNP1 and AMP-PNP2 correspond to Table 2 and Table3 respectively.

	Number	Date	Country
Parent	09574559	May 2000	US
Child	10798156	Mar 2004	US

Crystal of a kinase-ligand complex and methods of use

Information

Publication Number

Date Filed

Date Published

Inventors

Original Assignees

CPC

US Classifications

International Classifications

Abstract

Description

Claims

Parent Case Info

Provisional Applications (1)

Continuations (1)