Method for crystallization of TRX-TXNIP complex mutein and 3D structure thereof

SEQUENCE LISTING SUBMISSION VIA EFS WEB

A computer readable text file, entitled “SequenceListing.txt,” created on or about Mar. 23, 2017 with a file size of about 21 kb contains the sequence listing for this application and is hereby incorporated by reference in its entirety.

BACKGROUND OF THE INVENTION

1. Field of the Invention

The present invention relates to a modified TXNIP (thioredoxin-interacting protein) protein, a method for preparing the modified TXNIP protein, a polynucleotide encoding the modified protein, an expression vector comprising the polynucleotide, a transformant introduced with the expression vector, a method for crystallizing a modified TRX(thioredoxin)-TXNIP complex using the modified TXNIP protein, and a method for screening a substance regulating interaction between TRX and TXNIP, an inhibitor of TRX activity, and a substance regulating TXNIP function, using the crystal structure of the TRX-TXNIP complex mutein.

2. Description of the Related Art

TRX, which is up-regulated in many cancers, is involved in a wide range of cell signaling processes comprising cellular immune response, in response to a variety of oxidative stresses, and thus TRX is an important protein that has received much attention from the world's major pharmaceutical companies as an attractive target for anticancer drugs (Powis, G. et al., 2007 Current Opinion in Pharmacology 7:392, Mukherjee, A. et al., 2008 The British Journal of Radiology 81:S57). TXNIP, the only currently known endogenous inhibitor of TRX, inhibits interaction between TRX and a range of proteins involved in cell signaling as well as redox-potential activity of TRX. Therefore, studies have been actively conducted on TRX-TXNIP roles in cancers and metabolic diseases (Schulze, P. C. et al., 2004 J Biol Chem 279:30369, Dunn, L. L. et al., 2010 Arteriosclerosis, Thrombosis, and Vascular Biology 30:2089, Spindel, O. N. et al., 2012 Antioxidants & Redox Signaling 16:587), which is supported by the experimental results that TXNIP is strongly down-regulated in a variety of tumor cells and tissues (Shin, K. H. et al., 2008 Biochem Biophys Res Commun 372:880), and TXNIP knockout mice have an increased incidence of hepatocellular carcinoma (Sheth, S. S. et al., 2006 Oncogene 25:3528). The function of TXNIP as the tumor suppressor inhibiting TRX activity is well-known in the research related to inhibition of TRX-ASK1 (apoptosis signal-regulating kinase 1) interaction by TXNIP. That is, TXNIP-TRX interaction inhibits TRX-ASK1 interaction, leading to increased levels of reactive oxygen species (ROS) and promotion of cell apoptosis by ASK1 (Matsuoka, S. et al., 2008 Cancer Science 99:2485).

In addition to its function as an endogenous inhibitor of TRX, TXNIP is correlated with glucose levels (Muoio, D. M. 2007 Cell Metabolism 5:412, Parikh, H. et al., 2007 PLoS Medicine 4:2158). Glucose stimulates TXNIP transcription through a carbohydrate-response element present in the TXNIP promoter (Minn, A. H. et al., 2005 Endocrinology 146:2397) and its association with transcription factors MLX (max-like protein X) and MondoA (Stoltzman, C. A. et al., 2008 Proc Natl Acad Sci USA 105:6912). An elevated level of TXNIP has led to a reduction in the number of pancreatic beta-cells, insulin secretion, and peripheral glucose uptake (Parikh, H. et al., 2007 PLoS Medicine 4:2158, 23). By contrast, TXNIP deficiency protected against beta-cell apoptosis, and enhanced insulin sensitivity (Yoshihara, E. et al., 2010 Nature Communications 1:127, Chen, J. et al., 2008 FASEB Journal 22:3581). Despite considerable efforts to identify TXNIP characteristics and molecular mechanism of TRX regulation by TXNIP which are involved in metabolic diseases as well as cancers, understanding of TXNIP and regulation mechanism of TXNIP-TRX has reached a limit, because of a lack of their structural information.

Recent studies change their approach from a random approach to exploration of a number of anticancer drug candidates and therapeutic candidates to a new approach to development of effective therapeutic agents by exploration of target proteins, investigation of structure and reaction mechanism of the target proteins, and design and development of drug candidates through more efficient and scientific protein engineering. To design and develop drug candidates, investigation of their three-dimensional structures is essential. To investigate the three-dimensional structures, the priority is to acquire the protein in a stable form. However, the three-dimensional structure of the TXNIP protein, for all its importance, has not been revealed yet, because the TXNIP protein is a redox protein containing 11 cysteines, making it difficult to handle during production.

Accordingly, the present inventors have made many efforts to investigate the three-dimensional structure of the TXNIP protein. As a result, the present inventors have established a method for preparing a stable TRX-TXNIP complex having a purity of 90% or more, through various types of engineering, and they prepared a complex crystal of a TRX protein and a modified TXNIP protein, activity of which has no significant difference from that of the wild-type and demonstrated interaction between TRX and TXNIP at the protein level. Consequently, they have found that a substance capable of regulating the activities of TRX and TXNIP or interaction there between can be developed, based on the protein structure, thereby completing the present invention.

SUMMARY OF THE INVENTION

An object of the present invention is to provide a method for crystallizing a modified TRX-TXNIP complex, comprising a modified TXNIP protein and a modified TRX protein.

Another object of the present invention is to provide a crystal of the modified TXNIP protein, and a crystal of the modified TRX-TXNIP complex.

Still another object of the present invention is to provide a modified TXNIP protein, a polynucleotide encoding the protein, an expression vector comprising the polynucleotide, and a transformant introduced with the expression vector.

Still another object of the present invention is to provide a method for preparing the modified TXNIP protein.

Still another object of the present invention is to provide a method for screening a substance regulating interaction between TRX and TXNIP, by utilizing the three-dimensional structure of the modified TXNIP protein or the modified TRX-TXNIP complex.

Still another object of the present invention is to provide a method for screening an inhibitor of TRX activity, by utilizing the three-dimensional structure of the modified TXNIP protein or the modified TRX-TXNIP complex.

Still another object of the present invention is to provide a method for screening a substance regulating TXNIP function, by utilizing the three-dimensional structure of the modified TXNIP protein or the modified TRX-TXNIP complex.

BRIEF DESCRIPTION OF THE DRAWINGS

FIG. 1 illustrates cloning of the TXNIP gene and TRX gene into an E. coli expression vector, pPROEX-T-TXNIP-TRX;

FIG. 2 illustrates mutagenesis of non-specific cysteines;

FIG. 3 shows the results of SDS-polyacrylamide gel electrophoresis of a cell pellet which was obtained by culturing E. coli transformed with mutation-induced pPROEX-T-TXNIP (C120,170,205,267S)(SEQ ID NO: 6)-TRX(C35A)(SEQ ID NO:3);

FIG. 4 shows the results of SDS-polyacrylamide gel electrophoresis of T-TXNIP-TRX purified from the cell pellet which was obtained by culturing E. coli transformed with mutation-induced pPROEX-T-TXNIP(C120,170,205,267S)(SEQ ID NO: 6)-TRX(C35A)(SEQ ID NO:3);

FIG. 5 shows the overall structure of TRX and TXNIP complex: (A) Ribbon representation of COM1 is shown, the structure of TRX(C35A)(SEQ ID NO: 3)-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO:6) complex (COM1) was determined at a resolution of 2.0 Å. There are two heterodimeric complexes of TRX and TXNIP in the asymmetric unit. The N-terminal TXNIP (N-TXNIP) and C-terminal TXNIP (C-TXNIP) domains are indicated. (B) Ribbon representation of COM2 is shown, the structure of TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) complex (COM2) was determined at a resolution of 2.7 Å. The intermolecular disulfide bond between TRX Cys32 and TXNIP Cys247 and the interdomain disulfide bond between TXNIP Cys63 and Cys190 are displayed. The location of Cys120 in TXNIP is indicated;

FIG. 6a is a schematic representation of the TXNIP and TRX constructs used in the present invention, showing the locations of the cysteines;

FIGS. 6b and c show that native T-TXNIP and its mutants were indistinguishable from full-length TXNIP in their ability to negatively regulate TRX. In detail, FIG. 6c shows that the TRX-interacting activities of T-TXNIP and its mutants are the same as that of full-length TXNIP. HEK 293T cells were transfected with the expression plasmids indicated in FIG. 6b and the cells were lysed. GST and GST-fusion proteins were pulled down with glutathione beads and immunoblotted with anti-FLAG or anti-GST antibodies. One percent of each whole cell lysate (WCL) was used as the input. FIG. 6c shows that native T-TXNIP and its mutants were indistinguishable from full-length TXNIP in their ability to inhibit endogenous TRX. The TRX activity was analyzed by the insulin disulfide reduction assay. The data are expressed as mean±S.D. of all three independent experiments;

FIG. 6d shows that TRX and T-TXNIP complex exists as single heterodimeric species in solution. The wild type complex and its modified complexes are indicated by different colors. Ovalbumin, shown by the black dashed line, was used as a size marker;

FIG. 6e shows a representative structure of the TRX and TXNIP complex. The β-sheets of TXNIP are numbered. Disordered regions in TXNIP are depicted as gray dashed lines. The N-terminal domain of TXNIP is indicated by N-TXNIP and the C-terminal domain of TXNIP is indicated by C-TXNIP. Cysteine locations on the TXNIP structure are displayed with white carbon atoms;

FIG. 7 shows a structural analysis of T-TXNIP domain and a comparison of the T-TXNIP-bound TRX and Free TRX. (A) Superimposition of the C-TXNIP and N-TXNIP structures is shown. (B) No significant structural changes are found in the structure of TRX(C35A)(SEQ ID NO:3) complexed with T-TXNIP compared to the free TRX (PDB ID lERT) structure;

FIG. 8a shows distinctiveness of the domain assembly of TXNIP. TRX-bound TXNIP has an entirely different domain arrangement fold from the previously reported arrestin family proteins. Representative arrestin structures with their PDB accession IDs are displayed and compared with TXNIP. The N-terminal (N) and C-terminal (C) domains for each structure are indicated;

FIG. 8b shows superimposition of N-TXNIP and C-TXNIP domain structures onto N-mVPS26B and C-mVPS26B domain structures, respectively;

FIG. 8c shows that TRX-bound TXNIP has a different domain arrangement fold from the previously reported arrestin family proteins. Representative arrestin structures (mVPS26B, PDB ID 3LH8) are displayed and compared with TXNIP. Superimposition of TXNIP onto mVPS26B based on the C-terminal domain, is shown;

FIG. 8d shows that the electrostatic surface potential of TXNIP reveals a highly basic C-terminal domain and a relatively negative electrostatic N-terminal domain;

FIG. 9a shows the critical β-strand (β18, dark gray) of TXNIP interacting with TRX (transparent surface). The cleft formed by residues in the active site of TRX is shown in transparent gray under C247. The intermolecular disulfide-forming TRX Cys32 and TXNIP Cys247 residues are shown with stick atom models;

FIG. 9b shows a detailed stick depiction of the interactions between TRX (transparent surface) and TXNIP (upper). The backbone-backbone interactions between TRX Met74 and TXNIP Cys247, and TRX Ala92 and TXNIP Gly245, are displayed as short dashed lines. The salt bridge between TRX Asp60 and TXNIP Arg251; and the hydrogen bond between TRX Gly33 and TXNIP Glu202 are also shown as short dashed lines. Strands β15 and β18 in TXNIP are also indicated;

FIG. 9c shows superimposition of TRX-interacting substrates. Complexes of TRX and Ref-1 (PDB ID 1CQG); TRX and NF-κB (PDB ID 1MDI); and TRX and TXNIP are displayed. The consensus backbone-backbone interactions stabilizing intermolecular disulfides in each complex are depicted as black dashed lines in red circles;

FIG. 9d shows in vivo interprotomer interaction between TXNIP molecules. Assays were performed using lysates from HEK 293T cells transfected with FLAG-tagged or HA-tagged TXNIP-expressing plasmid after cell disruption with lysis buffer containing 50 mM IAA. (Left) Immobilized proteins on FLAG-agarose beads were visualized by Western blot analysis using anti-FLAG or anti-HA antibodies. (Right) Immobilized proteins on FLAG-agarose beads were fractionated by SDS-PAGE under reduced and non-reduced conditions and visualized by Western blot analysis using anti-FLAG antibody. F, FLAG;

FIG. 9e shows that TXNIP molecules form interprotomer disulfide bonds via Cys63 and Cys247. (Left) TXNIP molecules interact with each other through their N- and C-terminal domains. (Right) The Cys63 and Cys247 residues are critical for the interaction between TXNIP molecules. Coimmunoprecipitation assays were performed using lysates from 293T cells transfected with combinations of FLAG-tagged or HA-tagged TXNIP plasmids and GST-tagged or FLAG-tagged TXNIP plasmids. Immobilized proteins on FLAG-agarose beads or glutathione beads were visualized by Western blot analysis using anti-HA, anti-FLAG, or anti-GST antibodies. One percent of WCL was used as the input;

FIG. 9f shows that TXNIP molecules interact with each other in the redox dependent manner. Pull-down assays were performed using lysates from HEK 293T cells transfected with plasmid expressing GST-fused TXNIP. (a) Immobilized proteins on glutathione beads were fractionated by SDS-PAGE and (b) analyzed by western blotting using anti-GST antibody;

FIG. 9g shows the results of T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) isolation.

TRX(C73A)-T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) complex was incubated with 100 mM DTT and subjected to size exclusion chromatography to isolate T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) from remained protein complex and TRX. The fractions containing T-TXNIP (C36S/C49S/C120S/C170S/C205S/C267S) were collected and dialyzed against 50 mM Tris-HCl (pH 8.0), 500 mM NaCl and 10% glycerol to induce the formation of disulfide bonds between TXNIP molecules;

FIG. 9h shows the results of SDS-PAGE analysis of the interprotomer-interacting TXNIP molecules. Reducing and non-reducing protein samples were fractionated on SDS-PAGE. The bands ˜32 kDa and ˜60 kDa were analyzed as monomeric and dimeric T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S), respectively. The rest of high molecular bands were analyzed as non-specific aggregates of TXNIP molecules. No disulfide bonds were detected from the bands;

FIG. 9i shows interdomain disulfide bond between Cys63 and Cys190. Protein band ˜32 kDa on SDS-PAGE was subjected to a proteomic analysis. Interdomain disulfide bond between Cys63 and Cys190 was identified from the MS/MS spectra as ‘⁵⁴VLWMQGSQQCK⁶⁴’, ‘¹⁸⁸GFCEGDEISIHADFENTSSR²⁰⁷’. The ion types of matched peaks were written in b- and y-ions;

FIG. 9j shows the result of proteomic analysis of the interaction between TXNIP molecules. The interprotomer-interacting TXNIP molecules fractionated by SDS-PAGE under non-reducing condition were subjected to the proteomic analysis. The MS/MS spectra show the interprotomer disulfide bond between Cys63 and Cys247 identified as “⁵⁴VLWMQGSQQCK⁶⁴-²⁴⁰GNHISGTCASWR²⁵¹”;

FIG. 9k shows that TRX diminishes the interaction between TXNIP molecules. Coimmunoprecipitation assays were performed using lysates from 293T cells transfected with FLAG-tagged TXNIP, HA-tagged TXNIP, and FLAG-tagged TRX-expressing plasmids Immobilized proteins or HA-agarose beads were detected using anti-HA, anti-FLAG antibodies. HA-tagged TXNIP, FLAG-tagged TXNIP, and FLAG-tagged TRX were detected by using anti-HA and FLAG antibodies;

FIG. 10 shows interaction between N-TXNIP and TRX. (A) N-TXNIP was co-expressed and co-purified with TRX(C35A)(SEQ ID NO:3) and analyzed by SDS-PAGE. M, molecular weight size marker; T, total cell lysate; S, soluble fraction; I, insoluble fraction; FT, flow-through fraction; W, wash fraction; E, hexahistidine-tagged N-TXNIP eluted from the Ni-NTA column; N-TXNIP, tag-free N-TXNIP obtained by treatment with recombinant TEV protease; P, purified protein. (B) NMR-titration experiments are shown. Representative ¹⁵N-HSQC NMR spectra from N-TXNIP after addition of different amounts of TRX are shown. Inset, chemical shift perturbations upon addition of 0, 0.2, 0.5, 1, 1.5 and 2 molar equivalents of TRX;

FIG. 11 shows that the interaction between TRX and TXNIP involves disulfide bond switching. (A) Ribbon representation of N-TXNIP displaying the intramolecular disulfide bond between Cys63 and Cys120 is shown. Locations of other cysteine residues are shown. (B) TXNIP undergoes disulfide bond switching via a significant Cys63-mediated conformational change. The structure of N-TXNIP is superimposed onto the T-TXNIP structure. The β-strands and cysteine residues in T-TXNIP are indicated in green. The interdomain disulfide bond between Cys63 and Cys190 is displayed. The intramolecular disulfide bond between Cys63 and Cys190 in N-TXNIP is indicated in magenta. (C) An interdomain disulfide bond is formed in TXNIP between N-TXNIP Cys63 and C-TXNIP Cys190. The disulfide bond is located at the center of the interdomain interface. Residues involved in the interface between N-TXNIP and C-TXNIP are depicted using stick representations with magenta and green carbon atoms, respectively. Strands β5, β6 and β14 are indicated. (D) interaction between the TXNIP domains is shown. Interdomain interactions between the N-terminal strand β6 and the C-terminal strand β19 are displayed;

FIG. 12 shows that TRX interacts with N-TXNIP via its active cysteine residue. Interaction between N-TXNIP and TRX was analyzed by monitoring ¹H-¹⁵N HSQC spectra of ¹⁵N-labeled N-TXNIP, after addition of modified TRX protein. There were no significant chemical shift changes when C32A or C35A TRX mutants were added, whereas C62A, C69A and C73A mutants caused a chemical shift similar to the wild-type TRX. Inset A and B was magnified for visualization convenience;

FIG. 13 shows structure-related functional sequence conservation in TXNIP and homologous proteins. Shown above the alignments are elements of the secondary structure of TXNIP. The numbering shown is from human TXNIP (SEQ ID NO: 1). 63, 120, 190 and 247 amino acid residues indicated by triangles are functional cysteine residues in TXNIP. As shown in figure, while Cys63, Cys190 and Cys247 are strictly conserved, Cys120 are not. The rest triangles indicate residues critical for interaction with TRX. Strictly conserved residues are highlighted with inverted boxes. Biological sources and accession codes for the sequences are: Hs, Homo sapiens (gi:171184421); Mm, Mus musculus (gi:254553444); Ss, Salmo salar (gi:223647818); Dr, Danio rerio (gi:41056117). Sequence alignments were assembled using CLUSTALW, and visualized using ESPript software, both located on the ExPASy Proteomics Server (au.expasy.org/);

FIG. 14 shows that TRX interacts with a disulfide bond involving TXNIP Cys63. ¹H-¹⁵N HSQC NMR experiments using ¹⁵N-labeled N-TXNIP modified proteins and TRX were performed. There were no significant chemical shift changes when TRX was added to C63S and C120S modified proteins of N-TXNIP compared with the spectra for each modified protein without TRX;

FIGS. 15a to c show that ROS directly affect the intermolecular disulfide bond between TRX and TXNIP. In detail, the TRX-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex was incubated with H₂O₂at 37° C. for 30 minutes (a). The TRX(C73A)-T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) complex was incubated with diamide at 37° C. for 30 minutes. The reaction products were injected onto a HiLoad™ 16/60 Superdex™ 75 gel filtration column at room temperature (b). The TRX Cys35 residue is essential for dissociation between TRX and TXNIP. The TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex was incubated with diamide at 37° C. for 60 minutes and the reaction products were injected onto the Superdex™ 75 10/300 GL gel filtration column (c). Eluted T-TXNIP and TRX after the ROS treatments are indicated for each reaction. All eluted proteins were analyzed by SDS-PAGE;

FIG. 15D shows a proposed molecular mechanism of the negative regulation of TRX by TXNIP; and

FIG. 16 shows location of the ubiquitinated residue Lys212 in the TXNIP structure complexed with TRX. The Lys212 residue is located in the highly basic C-terminal region, which forms a deeply curved □beta-sandwich domain, and is depicted as a dark stick. The residues with positive electrostatic potential in C-TXNIP are displayed with light sticks.

DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS

In one aspect, the present invention provides a method for crystallizing a modified TRX-TXNIP complex comprising a modified TXNIP protein and a modified TRX protein.

Specifically, the method for crystallizing the modified TRX-TXNIP complex comprises the steps of: (a) co-expressing the modified TXNIP protein, which is prepared by deleting 2 amino acids at the N-terminus and 74 amino acids at the C-terminus, and substituting serines (Ser) for cysteines (Cys) at positions 170, 205, and 267 in an amino acid sequence of SEQ ID NO: 1 of TXNIP protein, and the modified TRX protein represented by SEQ ID NO: 3; and (b) crystallizing the modified TXNIP protein and the modified TRX protein; but is not limited thereto. The modified TXNIP protein may be a modified protein further comprising a substitution of serine for cysteine at position 120, but is not limited thereto.

In the crystallizing method, Step (a) may include a step of purifying the expressed proteins, and purification of the proteins may be conducted by a known purification method such as affinity chromatography, etc.

As used herein, the term “TRX protein” is a redox-active protein which functions as a defense protein in response to a variety of oxidative stresses and plays pivotal roles in intra- and extracellular signaling pathways. With respect to the objects of the present invention, TRX means a protein that interacts with TXNIP, but is not limited thereto. TRX is preferably human TRX, but is not limited thereto. The amino acid sequence and nucleotide sequence of the TRX protein can be obtained from the known database such as NCBI GenBank, and preferably, an amino acid sequence of SEQ ID NO: 2 and a nucleotide sequence of SEQ ID NO: 10, but is not limited thereto.

As used herein, the term “modified TRX protein” means a protein prepared by substitution, insertion, deletion, or alteration of one or more amino acids in the wild-type TRX protein. With respect to the objects of the present invention, modified TRX protein means a protein modified in order to prevent further reactions after interaction with TXNIP, but is not limited thereto. The modified TRX protein comprises any modified TRX protein without limitation, as long as it is a soluble, or a soluble and crystalline protein, but is not limited thereto. The modified TRX protein is preferably a protein prepared by substitution of alanine (Ala) for cysteine (Cys) at position 35 in the wild-type TRX protein, but is not limited thereto. In the present invention, TRX protein having a substitution of alanine for cysteine at position 35 was designated as TRX(C35A)(SEQ ID NO:3). This modified TRX protein may be a protein having the amino acid sequence of SEQ ID NO: 3, and it may also be a protein having an amino acid sequence having 70% or more homology, preferably 80% or more homology, more preferably 95% or more homology, or much more preferably 98% or more homology thereto, in which it is apparent that a protein having an amino acid sequence in which a part thereof is deleted, altered, substituted, or added is also included in the scope of the present invention, as long as it substantially has an activity to form a crystal, together with the modified TXNIP protein. In one embodiment of the present invention, a modified TRX protein was prepared by substitution of alanine for cysteine at position 35 in TRX protein having the amino acid sequence of SEQ ID NO: 2, and then used for the preparation of a modified TRX-TXNIP complex crystal, together with the modified TXNIP protein.

As used herein, the term “TXNIP protein” means a protein that is able to interact with TRX protein, and interacts with TRX to inhibit TRX activity. The TXNIP protein acts as a tumor suppressor protein in cancer and its expression is down-regulated in a variety of tumor cells. TXNIP interacts with TRX which is up-regulated in tumor cells to inhibit its activity, thereby exhibiting an anticancer effect, but is not limited thereto. The anticancer activity of TXNIP may be exemplified by an anticancer activity through inhibition of binding between TRX and ASK1, but is not limited thereto. The TXNIP protein may be preferably human TXNIP protein (SEQ ID NO: 1), but is not limited thereto. The amino acid sequence and nucleotide sequence of the TXNIP protein can be obtained from a known database such as NCBI GenBank, and preferably, an amino acid sequence of SEQ ID NO: 1 and a nucleotide sequence of SEQ ID NO: 9.

As used herein, the term “modified TXNIP protein” means a protein prepared by substitution, insertion, deletion or alteration of one or more amino acids in the wild-type TXNIP protein. With respect to the objects of the present invention, the modified TXNIP protein is any protein without limitation, as long as it is able to form a complex with the wild-type or modified TRX protein and has alteration of one or more amino acids in the amino acid sequence encoding the wild-type TXNIP protein. The modified TXNIP protein may be preferably a protein prepared by deletion of 2 amino acids at the N-terminus and 74 amino acids at the C-terminus, and substitution of serines for cysteines at positions 170, 205, and 267 in the wild-type TXNIP protein (e.g. SEQ ID NO: 4 and 5, respectively), but is not limited thereto. Further, the modified TXNIP protein comprises a protein prepared by further substitution of serine for cysteine at position 120, in addition to substitution of serines for cysteines at positions 170, 205, and 267 (e.g. SEQ ID NO: 6). Through the alteration of the length and partial sequences of the wild-type TXNIP protein, the modified TXNIP protein becomes more prone to crystallization than the wild-type TXNIP protein, which could not be crystallized together with TRX protein.

The modified TXNIP protein prepared by deletions of 2 amino acids at the N-terminus and 74 amino acids at the C-terminus in the wild-type TXNIP protein was designated as T-TXNIP, and represented by SEQ ID NO: 4.

Further, the modified TXNIP protein prepared by substitutions of serines for cysteines at positions 170, 205, and 267 based on the wild-type TXNIP protein represented by the amino acid sequence of SEQ ID NO: 1 in T-TXNIP was designated as T-TXNIP(C170S/C205S/C267S), and represented by SEQ ID NO: 5.

Furthermore, the modified TXNIP protein prepared by further substitution of serine for cysteine at position 120 in T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) was designated as T-TXNIP(C120S/C170S/C205S/C267S), and represented by SEQ ID NO: 6.

In one embodiment of the present invention, in order to prepare a crystal of the modified TXNIP protein and TRX(C35A)(SEQ ID NO:3) complex, T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) were used as the modified TXNIP protein, respectively. Like the wild-type TXNIP protein, the T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) proteins effectively inhibited the activity of TRX protein, suggesting that their activities are not affected by the substitution of serines for cysteine residues (FIG. 6c).

As used herein, the term “TRX-TXNIP complex” means a complex formed by interaction between TRX protein and TXNIP protein. Preferably, it may be a complex formed through an intermolecular disulfide bond between the cysteine residue (Cys32) at position 32 of TRX protein and the cysteine residue (Cys247) at position 247 of TXNIP protein, but is not limited thereto.

As used herein the term “modified TRX-TXNIP complex” means a protein complex formed by interaction between the modified TRX protein and the modified TXNIP protein. The modified TRX-TXNIP complex means a complex formed through an intermolecular disulfide bond between the cysteine residue at position 32 of the modified TRX protein and the cysteine residue at position 247 of the modified TXNIP protein, but is not limited thereto. The modified TRX-TXNIP complex may be preferably a modified complex formed by interaction between TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5), or a modified complex formed by interaction between TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C120S/C170S/C205S/C267S) (SEQ ID NO: 6), but is not limited thereto. The modified TRX-TXNIP complex of the present invention is formed by interaction between the modified TXNIP protein and the modified TRX protein, in which the modified TXNIP protein can be easily crystallized due to modification of the TXNIP protein, of which crystallization trials have been unsuccessful, without affecting its activity. The modified TRX-TXNIP complex is a protein capable of forming its crystal structure. Thus, it provides an advantage in that the interaction between TRX and TXNIP can be analyzed through its three-dimensional structure. In one embodiment of the present invention, the modified TRX-TXNIP complex was used to prepare two crystals, COM1 (TRX(C35A) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6)) and COM2 (TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C170S/C205S/C267S)(SEq ID NO: 5)). Their structures were examined (in Example 6, Experimental Example 1 and FIG. 5). Like the wild-type TXNIP protein, the modified TXNIP protein of the present invention exhibits TRX-inhibitory activity (FIG. 6c), and thus it can be understood that the modified TRX-TXNIP complex of the present invention represents the wild-type TRX-TXNIP complex.

As used herein, the term “interaction between TRX protein and TXNIP protein” means interaction by a disulfide bond between Cys32 of TRX protein and Cys247 of TXNIP protein, but is not limited thereto. The interaction between TRX protein and TXNIP protein, particularly, the β18 strand of TXNIP in combination with β15 is a critical component of the interaction, and intermolecular backbone-backbone interactions between TRX and the β18 strand of T-TXNIP contributes to stabilization of the disulfide bond between C32 of TRX and C247 of TXNIP. Further, Arg251 (Arginine, R) of TXNIP protein forms a salt bridge with Asp60 (aspartic acid, D) of TRX protein, which further contributes to stabilization of the interaction (FIG. 9b).

In the present invention, the mechanism by which interaction between TRX protein and TXNIP protein is regulated, was demonstrated by using the crystal structure investigated in the present invention. In detail, the interaction between TRX protein and TXNIP protein is caused by disulfide bond switching. A head-to-tail interprotomer disulfide bond between Cys63 and Cys247 of TXNIP is present in TXNIP proteins, and when TRX approaches and interacts with TXNIP, disruption of the interprotomer disulfide bond occurs, and a disulfide bond between TRX Cys32 and TXNIP Cys247 is formed, and a disulfide bond between Cys63 and Cys190 in the TXNIP protein is formed, leading to S-shaped conformation of TXNIP protein (FIGS. 9 to 15).

The crystallization method preferably comprises the step of co-expressing the modified TRX protein and the modified TXNIP protein, but is not limited thereto.

Since TXNIP protein is not expressed as a soluble protein without TRX protein, co-expression of the modified TRX protein and the modified TXNIP protein is preferred in order to prepare the modified TRX-TXNIP complex in soluble form. Such co-expression may be performed by expressing them in a single vector, a single cell or separate individual vectors, and the proteins thus expressed may be purified, followed by crystallization. In one embodiment of the present invention, a two-promoter vector system capable of co-expressing the modified TRX protein and the modified TXNIP protein was used to prepare a vector comprising polynucleotides encoding each of the two proteins in a single vector (Example 1).

As used herein, the phrase “expressed in soluble form” means that a protein having low solubility is expressed in soluble form. Expression in soluble form is a prerequisite for crystallization of a protein. Most proteins form crystals readily when they are in water-soluble form, and therefore, this step is required for the subsequent crystallization step.

As used herein, the phrase “allowing crystallization” or “having crystallinity” means that, in order to prepare a protein in a form suitable for X-ray analysis of its tertiary structure, mutations are introduced into the protein molecule so as to form solid particles having a uniform shape and size from a uniform liquid or to further stabilize the crystal of the protein. The three-dimensional structure of a protein is very important for the understanding of in vivo actions of the protein and development of therapeutic drugs. That is, since an understanding of the arrangement and three-dimensional structure of atoms constituting a protein as a macromolecule makes it possible to analyze the three-dimensional structure of the modified TRX-TXNIP complex and to provide a platform for development of new drugs for inhibiting interaction between TRX protein and TXNIP protein, it is a common issue in biological and medical fields. However, it was very difficult to demonstrate the three-dimensional structure of the TRX-TXNIP complex. A crystal structure of the TRX-TXNIP complex should be first prepared in order to analyze the three-dimensional structure of the complex, and the protein complex should be prepared in soluble form in order to prepare its stable crystal structure. In order to acquire such protein, the present inventors expressed both the modified TRX protein and the modified TXNIP protein, and prepared modified TRX and TXNIP proteins by substitution of cysteine residues in the amino acid sequence(s) of TRX or/and TXNIP protein, and then prepared the modified TRX-TXNIP complex which serves as a stable TRX-TXNIP complex, using the modified proteins.

The crystallization of Step (b) may be carried out by a variety of known crystallization methods, preferably, by a vapor diffusion method. The vapor diffusion method may be a sitting drop vapor diffusion method or a hanging-drop vapor diffusion method, and more preferably, the sitting drop vapor diffusion method, but is not limited thereto.

As used herein, the term “sitting drop vapor diffusion method” refers to a crystallization method in which, when a microdrop of mother liquor and a much larger reservoir solution exist separately in a closed system, transport of either water or other volatile agent occurs between them, leading to a supersaturated state of protein, and in such a thermodynamically metastable state, proteins are precipitated depending on the precipitant. While the protein precipitation slowly occurs, stable crystals are formed and the precipitant functions to lower the solubility of the concentrated protein solution, and proteins congregate to form crystals in order to reduce an adsorption layer around protein molecules. The reservoir solution contains a mixture of the precipitant, buffer, salt, and detergent at different concentrations. Droplets are usually formed by mixing the protein solution with the reservoir solution of various conditions at a ratio of 1:1, and the droplets thus formed are placed on a microbridge, and sealed. At this time, there is a difference in the concentration between the proteins in the droplets and the reservoir solution, and thus the proteins do not begin as crystals. They are equilibrated while sealed, and crystals are formed under the specific conditions by the above described principle. In the sitting drop vapor diffusion method, the type and proper concentration of the salt, the buffer and the surfactant as well as the precipitant in the reservoir solution, pH of the solution, and the experimental temperature vary depending on the type of protein, and in some cases, they become very important factors in crystal formation of proteins.

As used herein, the term “hanging-drop vapor diffusion method” is a protein crystallization method, which provides crystals having a size sufficient for protein structural analysis. In the hanging-drop vapor diffusion method, a reagent containing a sample and a pure liquid reagent are placed on the top of the reservoir under vapor equilibration. To achieve equilibrium of the sample having a lower reagent concentration than the reservoir, water contained in the sample eventually ends up in the reservoir. Water contained in the sample is removed until the concentration is approximately the same as that in the liquid reagent, and finally, protein crystals reaching the equilibration can be obtained.

In one embodiment of the present invention, the sitting drop vapor diffusion method was used to obtain N-TXNIP, COM1, and COM2 crystals (Example 6).

In another aspect, the present invention provides a crystal of the modified TXNIP protein or the modified TRX-TXNIP complex.

The modified TXNIP protein is the same as described above. The modified TXNIP protein is preferably N-TXNIP(K5A/K6A) protein (SEQ ID NO: 8), and the modified TRX-TXNIP complex is TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex (COM1) and TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) complex (COM2), but are not limited thereto.

There are many different methods for analyzing a protein's crystal structure, and two main methods are NMR spectroscopy and X-ray crystallography. NMR Spectroscopy is based on the principle of predicting a distance between particular atoms in a molecule by analyzing signal changes due to chemical factor which can be detected in the NMR spectrum of a molecule. Data of the chemical shift obtained by the NMR test is analyzed to obtain a set of the distances between labeled atoms in one protein, and a model or a set of models satisfying information about all distances determined by the experiment is produced. Thus, there is a disadvantage of requiring collection and analysis of a large amount of data. Meanwhile, X-ray crystallography is based on the principle of obtaining the result by analyzing x-ray scattered by electron cloud surrounding an atom of the crystal in an x-ray generator. X-ray diffraction patterns from protein crystals are regular because the individual protein molecules are arranged in a regular lattice. Based on this principle, X-ray crystallography is a method of analyzing a protein structure by producing an electron density map of the protein using x-ray scattered and reflected from the protein crystals. However, there is a disadvantage of requiring pure protein samples and protein crystallization. In the present invention, the TXNIP protein of which crystallization trials have been unsuccessful was properly modified to prepare crystals of N-TXNIP protein, COM1, and COM2.

In the present invention, to provide three-dimensional crystal structures of N-TXNIP(K5A/K6A) protein (SEQ ID NO: 8), COM1, and COM2, diffraction patterns were obtained using an x-ray image plate, and phase information was obtained by multiple anomalous dispersion (MAD) using Se-Met (selenium-methionine). An electron density map was obtained from the x-ray diffraction patterns and phase information, and atomic coordinates were derived therefrom so as to obtain the three-dimensional structures. The crystal of N-TXNIP(K5A/K6A) protein (SEQ ID NO: 8) of the present invention is preferably a crystal having an amino acid sequence represented by SEQ ID NO: 8 and having a space group of P2₁2₁2₁and a unit-cell dimension of a=37.43 Å, b=56.62 Å, and c=67.66 Å, and α=β=γ=90°, but is not limited thereto (Table 8). The N-TXNIP(K5A/K6A) protein (SEQ ID NO: 8) has atomic coordinates shown in Table 9.

Further, the crystal of COM1 of the present invention is preferably a crystal of complex of the modified TXNIP protein represented by SEQ ID NO: 6 and the modified TRX protein represented by SEQ ID NO: 3, and having a space group of P2₁and a unit-cell dimension of a=80.14 Å, b=64.02 Å, c=88.30 Å, α=γ=90° and β=91.28°, but is not limited thereto (Table 8). The COM1 complex has atomic coordinates shown in Table 10, and the atomic coordinates and the structure-factor amplitudes thereof were deposited in PDB (Protein Data Bank) under accession code of 4LL1.

The crystal of COM2 of the present invention is preferably a complex crystal of the modified TXNIP protein represented by SEQ ID NO: 5 and the modified TRX protein represented by SEQ ID NO: 3, and having a space group of P2₁and a unit-cell dimension of a=79.83 Å, b=64.99 Å, c=88.42 Å, α=γ=90°, and β=90.88°, but is not limited thereto (Table 8). The COM2 complex has atomic coordinates shown in Table 11, and the atomic coordinates and the structure-factor amplitudes thereof were deposited in PDB (Protein Data Bank) under accession code of 4LL4.

As used herein, the term “space group” means the symmetry of a unit cell of a crystal, and combinations of symmetry elements form symmetry groups. This space is used interchangeably with the space group.

As used herein, the term “unit-cell dimension” is also called lattice parameter, and the unit-cell is the simplest minimum repeating unit constituting the space group, and defined by three crystallographic axes, the lengths of the three vectors (a, b, c) and the inter-axial angles (α, β, γ).

The phase information can be obtained by multiple isomorphous replacement, multiwavelength anomalous dispersion, molecular replacement, or the like. First, multiple isomorphous replacement is a technique of obtaining the phase information by replacing crystals with heavy metals, and collecting and analyzing the data. Second, multiwavelength anomalous dispersion is a widely used technique of obtaining phase information by collecting data using the anomalous dispersion at different wavelengths, in which a specific metal or atom in the crystal is used instead of heavy metals. That is, without the need for collecting data of many crystals, data can be easily obtained from one crystal using a selenium atom by replacing the amino acid methionine with selenomethionine (Se-Met) using a molecular biological method. However, this method has a disadvantage in that data should be obtained from a radiation beam. Third, molecular replacement is a method of solving the phase problem from a known similar structure, and it is widely used as the number of known structures is increasing. Data is collected from each structure, and then refinement is conducted to fit our model against the data. This procedure is performed using known programs (CCP4, Coot, Quanta, CNS, etc.), and standardization of each angle, bond length, etc. is required. In this process, a procedure for fitting the model to the obtained electron density map is performed repeatedly by computer and by eye. In the analysis step after refinement of the structure, a lot of information can be derived from the structure with interpretation. In this analysis step, the mechanism of action can be studied, based on the structure. The studies on the correct mechanism of action provide information needed for development of new drugs. Further, the directly related residues can be identified through the structure of the complex of the protein and its regulator, and therefore, important information is provided for the next step for studying the regulator.

In the present invention, phase information of human N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1, and COM2 structures was obtained by multiple anomalous dispersion (MAD), and SOLVE and RESOLVE programs were used for calculation thereof, and COOT and REFMAC5 programs were used for refinement of the structures. The atomic coordinates and the structure-factor amplitudes of N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1, and COM2 thus obtained are shown in Tables 9 to 11, respectively and their three-dimensional structures are shown in FIGS. 5 to 9, 11, and 16, respectively.

In still another aspect, the present invention provides a modified TXNIP protein, a polynucleotide encoding the modified TXNIP protein, an expression vector comprising the polynucleotide, and a transformant introduced with the expression vector.

The modified TXNIP protein is the same as described above.

The expression vector comprising the polynucleotide encoding the modified TXNIP protein provided in the present invention may be, but is not particularly limited to, a vector capable of replicating and/or expressing the polynucleotide in eukaryotic or prokaryotic cells comprising mammalian cells (e.g., human, monkey, rabbit, rat, hamster, mouse cells, etc.), plant cells, yeast cells, insect cells, or bacteria cells (e.g., E. coli, etc.), preferably, a vector which is operably linked to a suitable promoter to express the polynucleotide in the host cells and comprises at least one selection marker. More preferably, it may be in the form of a phage, a plasmid, a cosmid, a mini-chromosome, a virus, a retrovirus vector to which the polynucleotide is introduced.

The expression vector comprising the polynucleotide encoding the modified TXNIP protein may be an expression vector further comprising a polynucleotide encoding the wild-type or modified TRX protein. Since the modified TXNIP protein is not expressed as a soluble protein without a TRX protein, the expression vector comprising the polynucleotide encoding the modified TXNIP protein may be introduced, together with the expression vector comprising the polynucleotide encoding the wild-type or modified TRX protein, or a single expression vector comprising both the polynucleotides encoding the wild-type or modified TRX protein and the polynucleotide encoding the modified TXNIP protein may be introduced to express both the TRX protein and the modified TXNIP protein.

As used herein, the term “transformant” refers to a host cell transformed with the vector, and means a transformant capable of producing a large amount of soluble, or soluble and crystalline N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1 or COM2 proteins of the present invention, and also comprises a transformant which is introduced with the N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1 or COM2 protein and thus is used to screen candidates for new drug development through NMR, etc, but is not limited thereto. The transformant introduced with the expression vector provided in the present invention may be, but is not particularly limited to, bacterial cells such as E. coli, Streptomyces, Salmonella typhimurium, etc.; yeast cells; fungus cells such as Pichia pastoris; insect cells such as Drosophila, Spodoptera Sf9 cell, etc; animal cells such as CHO, COS, NSO, 293T, Bowes melanoma cells, etc.; or plants cells, which are transformed by introduction of the expression vector.

As used herein, the term “introduction” refers to delivery of the vector comprising the polynucleotide encoding the modified TXNIP protein into a host cell. This introduction may be performed by various methods known in the art, comprising calcium phosphate-DNA coprecipitation, DEAE dextran-mediated transfection, polybrene-mediated transfection, electroporation, microinjection, liposome fusion, lipofection and protoplast fusion. Further, the term “transfection” means delivery of a desired material into a cell by means of infection using viral particles. In addition, the vector may be introduced into a host cell by gene bombardment. In the present invention, the introduction may be used interchangeably with transformation.

In still another aspect, the present invention provides a method for preparing the modified TXNIP protein.

The modified TXNIP protein is the same as described above.

A method of preparing T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) among the modified TXNIP proteins may include the steps of deleting 2 amino acids at the N-terminus and 74 amino acids at the C-terminus in the amino acid sequence of SEQ ID NO: 1 of the TXNIP protein, and substituting serines (Ser) for cysteines (Cys) at positions 170, 205, and 267 based on the amino acid sequence of SEQ ID NO: 1. Further, a method of preparing T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) among the modified TXNIP proteins may include the steps of deleting 2 amino acids at the N-terminus and 74 amino acids at the C-terminus in the amino acid sequence of SEQ ID NO: 1 of the TXNIP protein, and substituting serines (Ser) for cysteines (Cys) at positions 120, 170, 205, and 267, but is not limited thereto.

Further, a method preparing N-TXNIP(K5A/K6A) (SEQ ID NO: 8) may include the steps of comprising only the amino acids at position 3 to 156 in the amino acid sequence of SEQ ID NO: 1, and substituting alanines for lysines at positions 5 and 6, but is not limited thereto.

In still another aspect, the present invention provides a method for screening a substance candidate regulating the interaction between TRX and TXNIP by utilizing the tertiary structure of the modified TXNIP protein or the modified TRX-TXNIP complex.

Preferably, the method may include: (a) producing or selecting a candidate regulating interaction between TRX and TXNIP using a tertiary structure of N-TXNIP (the N-terminal domain of thioredoxin-interacting protein) having the atomic coordinates shown in Table 9; a tertiary structure of the modified TRX-TXNIP complex having the atomic coordinates shown in Table 10; or a tertiary structure of the modified TRX-TXNIP complex having the atomic coordinates shown in Table 11; and (b) examining whether the candidate produced or selected in Step (a) regulates interaction between TRX and TXNIP.

The modified TXNIP protein and the modified TRX-TXNIP complex are the same as described above.

The modified TXNIP protein is preferably N-TXNIP(K5A/K6A) (SEQ ID NO: 8), and the modified TRX-TXNIP complex is preferably COM1 or COM2, but is not limited thereto. The atomic coordinates of N-TXNIP and the modified TRX-TXNIP complexes can be obtained by atomic coordinates of the proteins shown in Tables 9 to 11. The atomic coordinates of N-TXNIP(K5A/K6A) (SEQ ID NO: 8) is shown in Table 9, the atomic coordinates of COM1 is shown in Table 10, and the atomic coordinates of COM2 is shown in Table 11.

Further, the atomic coordinates for N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1 or COM2 can be stored in media for consecutive use in a calculating apparatus such as a computer. Typically, the coordinates can be stored in media (e.g., floppy disks, hard disks, compact disks, magneto-optical media, or electronic media) useful for storing large amounts of data, such as magnetic or optical media. Those skilled in the structural/computational chemistry are used to selecting the computer, storage media, networking, and another device or technique.

Based on the three-dimensional structure of N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1 or COM2 demonstrated in the present invention, information about various protein sites comprising binding sites can be provided by using computer readable media containing the data of the atomic coordinates and/or three-dimensional structure. Through these procedures, reaction patterns of numerous drug candidates can be predicted without practical experiments, and only the resulting selected substances are subjected to experiments, leading to economic improvement in new drug development.

Further, step (a) of the screening method may include the steps of entering the data of the atomic coordinates for the tertiary structures of the proteins into a computer, together with a proper software program; and obtaining a three-dimensional protein structure for visualization and additional computer manipulation, but is not limited thereto. When the tertiary structure of TXNIP, TRX, or complex thereof is designed using the atomic coordinates shown in Tables 9 to 11, amino acids can be appropriately modified within the scope without causing a large structural change, such as substitution of the amino acids which are the same as in the wild-type for the modification of the wild-type protein, but is not limited thereto.

If all or part of the tertiary structure of the N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1 or COM2 is used, a candidate capable of regulating interaction between TRX and TXNIP can be specifically selected or produced. That is, based on the tertiary structure, a substance capable of regulating the interaction can be designed, and a candidate substance can be selected by examining whether the known substances are able to regulate the interaction. Further, it is known that binding of TXNIP protein to TRX protein inhibits TRX activity. It is also known that TRX protein is up-regulated in tumor cells to promote tumorigenesis. Therefore, the candidates can be determined as anticancer therapeutic agents having anticancer effects on tumors by examining whether the candidates promote the interaction between TRX and TXNIP, compared to control group treated with no candidates. Further, when TXNIP protein is over-expressed, insulin sensitivity is reduced and blood glucose level is increased. Therefore, the candidates can be determined as diabetes therapeutic agents that function to lower blood glucose levels in diabetes by examining whether the candidates diminish the interaction between TRX and TXNIP, compared to control group treated with no candidates.

In still another embodiment, the present invention provides a method for screening an inhibitor of TRX activity using the tertiary structure of the modified TXNIP protein or the modified TRX-TXNIP complex.

The method for screening an inhibitor of TRX activity may preferably include (a) producing or selecting a candidate peptide of inhibiting TRX activity or a TRX-binding compound using the tertiary structure of N-TXNIP (the N-terminal domain of thioredoxin-interacting protein) having the atomic coordinates shown in Table 9; the tertiary structure of the modified TRX(thioredoxin)-TXNIP(thioredoxin-interacting protein) complex having the atomic coordinates shown in Table 10; or the tertiary structure of the modified TRX-TXNIP complex having the atomic coordinates shown in Table 11; and (b) examining whether the candidate peptide or compound produced or selected in Step (a) inhibits TRX activity; but is not limited thereto.

In particular, the method for screening an inhibitor of TRX activity may be used to produce a candidate peptide or compound inhibiting TRX activity, on the basis of one or more amino acid sequences selected from the group consisting of the amino acid sequences of β18 and β15 strands of T-TXNIP which are located in the center of the interaction interface between TRX and TXNIP, and combinations thereof, using the tertiary structure of N-TXNIP (the N-terminal domain of thioredoxin-interacting protein) having the atomic coordinates shown in Table 9; the tertiary structure of the modified TRX(thioredoxin)-TXNIP(thioredoxin-interacting protein) complex having the atomic coordinates shown in Table 10; or the tertiary structure of the modified TRX-TXNIP complex having the atomic coordinates shown in Table 11, but is not limited thereto.

In the present invention, the tertiary structures of N-TXNIP(K5A/K6A) (SEQ ID NO: 8); and the modified TRX-TXNIP complex were investigated. It was confirmed that β18 and β15 strands of T-TXNIP are located in the center of the interaction interface between TRX and TXNIP. Therefore, a peptide of inhibiting TRX activity can be synthesized or designed using the amino acid sequences of T-TXNIP β18 and β15 strands involved in the interaction with TRX or/and combinations thereof. In addition, a compound that binds to TRX and regulates its activity can be designed or/and synthesized using information about of β18 and β15 strands in the interaction interface between TRX and TXNIP. Preferably, the compound may be a small compound, but is not limited thereto. It is also known that binding of the TXNIP protein to TRX inhibits TRX activity. Therefore, when a peptide or a compound binding to TRX is synthesized using the information about the interaction interface between TRX and TXNIP, it can be a substance that binds to TRX and regulates its activity, like the TXNIP, but is not limited thereto.

The inhibition of TRX activity may include inhibition of Redox-potential of TRX or inhibition of interaction with a protein that is known to interact with TRX, but is not limited thereto.

By the method for screening an inhibitor of TRX activity, it is possible to further screen a substance having a TRX-inhibitory activity stronger than the TRX inhibitor screened in Step (b) using the designed tertiary structures. In such a manner, it is possible to investigate a substance having a higher TRX-inhibitory activity.

A step of determining the screened peptide or compound as an anticancer agent when the TRX-binding ability of the peptide or compound is higher than that of TXNIP may be further included.

In still another aspect, the present invention provides a method for screening a substance regulating TXNIP function using the tertiary structure of the modified TXNIP protein or modified TRX-TXNIP complex.

The method for screening a substance regulating TXNIP function may preferably include: (a) producing or selecting a candidate regulating TXNIP function using a tertiary structure of N-TXNIP (the N-terminal domain of thioredoxin-interacting protein) having the atomic coordinates shown in Table 9; a tertiary structure of the modified TRX(thioredoxin)-TXNIP(thioredoxin-interacting protein) complex having the atomic coordinates shown in Table 10; or a tertiary structure of the modified TRX-TXNIP complex having the atomic coordinates shown in Table 11; and (b) examining whether the candidate produced or selected in Step (a) regulates TXNIP function; but is not limited thereto. Further, the method may further include the step of determining the candidate regulating TXNIP function as a therapeutic agent for diabetes when the candidate reduces or inhibits TXNIP activity, compared to control group treated with no candidates.

Hereinafter, the present invention will be described in more detail with reference to the following Examples. However, these Examples are for illustrative purposes only, and the invention is not intended to be limited by these Examples.

Example 1: DNA Cloning

Since TXNIP could not be expressed as a soluble protein without TRX, plasmids co-expressing human TRX and TXNIP were constructed using a two-promoter vector system. Further, T-TXNIP (residues 3-317) with an N-terminal hexahistidine-tag containing an integrated rTEV protease cleavage site was cloned into pProEX HTa plasmid (Invitrogen), which expresses tag-free human TRX under the control of the T7 promoter. A plasmid co-expressing TRX(C35A)(SEQ ID NO:3) which was prepared by substituting alanine for cysteine at position 35 of human TRX and N-TXNIP was constructed by cloning N-TXNIP(residues 3-156) with an N-terminal hexahistidine-tag containing the integrated rTEV protein cleavage site into pPROEX-HTa plasmid (Invitrogen) which expresses tag-free human TRX(C35A)(SEQ ID NO:3) under the control of the T7 promoter using the two-promoter vector system. N-TXNIP was subcloned into the pHis-Parallel1 expression vector, which is a protein expression vector encoding an N-terminal hexahistidine tag with an rTEV protease cleavage site. For NMR experiments, TRX was subcloned into pET21 vector, which contains a C-terminal hexahistidine-tag. Cloning of T-TXNIP and TRX is described in more detail below.

Example 1-1: Amplification of T-TXNIP Gene

To synthesize and amplify T-TXNIP gene (T-TXNIP(3-317)) starting from amino acid 3 as the N-terminus and ending at amino acid 317 by PCR, two oligonucleotides were designed as follows and synthesized using a DNA synthesizer (Table 1).

TABLE 1

SEQ ID

Sequence (5′→3′)
NO.

Forward
CAT GCC ATG GTC AAG AAG
11

primer
ATC AAG

Reverse
ATA AGA ATG CGG CCG CTC
12

primer

ACA TCT CAG AGC TGG

The forward primer contains a base sequence corresponding to the NcoI restriction enzyme recognition site, which is underlined. The reverse primer has a stop codon, which is indicated in italics and the restriction enzyme NotI recognition site underlined.

Human-derived TXNIP gene was used as a template to carry out PCR by the following procedure: 1 μl of TXNIP DNA, 1 μl of 10 mM dNTP (final concentration: 0.2 mM), 1 μl each of forward and reverse primers (final concentration: 0.2 μM), 0.5 μl of Taq DNA polymerase (5 U/μl, NEB, USA), and 5 μl of PCR buffer (NEB) are added to 40.5 μl of distilled water to prepare a reaction solution. After reaction was allowed at 95° C. for 3 minutes, 30 cycles of 95° C. for 30 seconds; 55° C. for 45 seconds; 72° C. for 1 minute and 30 seconds were performed. The reaction solution was separated on a 1% agarose gel by electrophoresis, and a desired DNA fragment was extracted and dissolved in 40 μl of distilled water (hereinafter, referred to as T-Txnip N/N).

Example 1-2: Construction of T-TXNIP-Containing Expression Vector

Plasmid pPROEX was completely cleaved with restriction enzymes, NcoI and NotI, and separated on a 1% agarose gel. 0.5 μg of T-TXNIP N/N and 0.6 μg of the plasmid vector pPROEX N/N were put in a reaction tube, and then 1 μl of 10× ligation solution (500 mM tris-HCl, pH 7.8, 100 mM magnesium chloride, 100 mM DTT, 10 mM ATP) and 10 U of T4 DNA ligase were added thereto and distilled water was added to a final volume of 10 μl, and allowed to react at 4° C. for 12 hours. This reaction solution was added to E. coli DH5α cell for transformation, and plated on a 100)(g/ml LB-ampicillin medium to select E. coli transformants. Plasmids were extracted therefrom, and acquisition of pPROEX-T-TXNIP was confirmed by using restriction enzyme and sequencing. The nucleotide sequences of the N-TXNIP and T-TXNIP genes cloned into the recombinant plasmids were analyzed in accordance with the method of Sanger et al. (Sanger, F. et al., 1977 PNAS USA 74:5463) using a Big-Dye Cycle Sequencing System (Applied Biosystems, U.S.A) and a ABI 377 DNA sequencer.

Example 1-3: Amplification of TRX Gene

To synthesize and amplify TRX gene by PCR, two oligonucleotides were designed as follows and synthesized using a DNA synthesizer (Table 2).

TABLE 2

Sequence (5′→3′)
SEQ ID NO.

Forward
GGA ATT CCA TAT GGT GAA
13

primer
GCA GAT

Reverse
CCG CTC GAG TCA GAC TAA
14

primer
TTC ATT AAT

The forward primer contains a base sequence corresponding to the NdeI restriction enzyme recognition site (underlined), and the reverse primer contains a stop codon (in italics) and a base sequence corresponding to the restriction enzyme XhoI recognition site (underlined).

Human-derived TRX gene was used as a template to carry out PCR by the following procedure: 40.5 μl of distilled water was added to 1 μl of Trx DNA, 1 μl of 10 mM dNTP (final concentration: 0.2 mM), 1 μl each of forward and reverse primers (final concentration: 0.2 μM), 0.5 μl of Taq DNA polymerase (5 U/μl, NEB, USA), 5 μl of PCR buffer (NEB) to prepare a reaction solution. After reaction was allowed at 95° C. for 3 minutes, 30 cycles of 95° C. for 30 seconds; 55° C. for 45 seconds; 72° C. for 30 seconds were performed. The reaction solution was separated on a 1% agarose gel by electrophoresis, and a desired DNA fragment was extracted and dissolved in 40 μl of distilled water (hereinafter, referred to as Trx N/X).

Example 1-4: Construction of Expression Vector Containing T-TXNIP and TRX

Since TXNIP could not be expressed as a soluble protein without TRX protein, plasmids co-expressing human TRX and T-TXNIP were constructed using a two-promoter vector system as follows:

Recombinant plasmid pPROEX-T-TXNIP was completely cleaved with restriction enzymes, NdeI and XhoI, and separated on a 1% agarose gel. 0.3 μg of Trx N/X and 0.2 μg of the plasmid vector pPROEX-T-XNIP N/X were put in a reaction tube, and then 1 μl of 10× ligation solution (500 mM tris-HCl, pH 7.8, 100 mM magnesium chloride, 100 mM DTT, 10 mM ATP) and 10 U of T4 DNA ligase were added thereto and distilled water was added to a final volume of 10 μl, and allowed to react at 4° C. for 12 hours. This reaction solution was added to E. coli DH5α cells for transformation, and plated on a 100 μg/ml LB-ampicillin medium to select E. coli transformants. Plasmids were extracted therefrom, and acquisition of pPROEX-T-TXNIP-TRX was confirmed by using restriction enzyme and sequencing. The nucleotide sequence of the TXNIP gene cloned into the recombinant plasmid was analyzed in accordance with the method of Sanger et al. (Sanger, F. et al., 1977 PNAS USA 74:5463) using a Big-Dye Cycle Sequencing System (Applied Biosystems, USA) and a ABI 377 DNA sequencer.

The series of the procedures is shown in the diagram of FIG. 1.

Example 2: DNA Mutagenesis
Example 2-1: TRX Mutagenesis

To substitute alanine for cysteine at position 35 of TRX gene, two oligonucleotides were designed as follows and synthesized using a DNA synthesizer (Table 3).

TABLE 3

SEQ ID

Sequence(5′→3′)
NO.

Forward
CAG CCA CGT GGT GTG GGC CTG
15

primer

CCA AAA TGA TCA AGC CTT TC

Reverse
GAA AGG CTT GAT CAT TTT GGC
16

primer

AGG CCC ACA CCA CGT GGC TG

The forward and reverse primers contain sequences (underlined) encoding the amino acids substituted with alanine (Ala) for cysteine (Cys). The expression vector pPROEX-T-TXNIP-TRX prepared in Example 1-4 was used as a template to carry out site-directed mutagenesis by the following procedure: 40.5 μl of distilled water was added to 0.5 μl of pPROEX-T-TXNIP-TRX, 1 μl of 100 mM dNTP, 1 μl each of forward and reverse primers (final concentration: 0.2 μM), 1 μl of pfu DNA polymerase (2.5 U/μl, Stratagene, USA), 5 μl of mutagenesis buffer (Stratagene, USA) to prepare a reaction solution. After reaction was allowed at 95° C. for 30 seconds, 18 cycles of 95° C. for 30 seconds; 55° C. for 60 seconds; 68° C. for 8 minutes were performed. After completion of the reaction, 1 μl of DpnI (NEB, USA) was added to the reaction solution, and allowed to react at 37° C. for 1 hour to remove pPROEX-T-TXNIP-TRX used as the template. This reaction solution was added to E. coli DH5α cell for transformation, and plated on a 100 μg/ml LB-ampicillin medium to select E. coli transformants. Plasmids were extracted therefrom, and the nucleotide sequence of TRX gene undergoing mutagenesis was examined.

Example 2-2: T-TXNIP Mutagenesis

To substitute serine for cysteine at position 120 of TXNIP gene, two oligonucleotides were designed as follows and synthesized using a DNA synthesizer (Table 4).

TABLE 4

SEQ

ID

Sequence(5′→3′)
NO.

Forward
TTC AAA GGA AAA TAT GGG TCT
17

primer
GTA GAC TAC TGG GTG AAG

Reverse
CTT CAC CCA GTA GTC TAC AGA
18

primer
CCC ATA TTT TCC TTT GAA

The forward and reverse primers contain sequences (underlined) encoding the amino acids substituted with serine for cysteine. In addition, for substitution of serine for cysteine at position 170 of TXNIP gene, the primers of SEQ ID NOs. 19 and 20 of the following Table 5 were synthesized. For substitution of serine for cysteine at position 205 of TXNIP gene, the primers of SEQ ID NOs. 21 and 22 of the following Table 6 were synthesized. For substitution of serine for cysteine at position 267 of TXNIP gene, the primers of SEQ ID NOs. 23 and 24 of the following Table 7 were synthesized.

TABLE 5

SEQ

ID

Sequence(5′→3′)
NO.

Forward
AAA GAA AAG AAA GTT TCC TCC
19

primer
ATG TTC ATT CCT GAT GGG

Reverse
CCC ATC AGG AAT GAA CAT GGA
20

primer
GGA AAC TTT CTT TTC

TABLE 6

SEQ ID

Sequence(5′→3′)
NO.

Forward
GCT GAC TTT GAG AAT ACA TCT
21

primer
TCC CGA ATT GTG GTC CCC

Reverse
GGG GAC CAC AAT TCG GGA AGA
22

primer
TGT ATT CTC AAA GTC AGC

TABLE 7

SEQ ID

Sequence(5′→3′)
NO.

Forward
AGG CCT TCT ATC CTG GGC TCC
23

primer
AAC ATC CTT CGA GTT GAA

Reverse
TTC AAC TCG AAG GAT GTT GGA
24

primer
GCC CAG GAT AGA AGG CCT

The expression vector pPROEX-T-TXNIP-TRX(C35A) prepared by TRX mutagenesis was used as a template to carry out site-directed mutagenesis by the following procedure: 40.5 μl of distilled water was added to 0.5 μl of pPROEX-T-TXNIP-TRX(C35A), 1 μl of 100 mM dNTP, 1 μl each of forward and reverse primers of Table 4 (final concentration: 0.2 μM), 1 μl of pfu DNA polymerase (2.5 U/μl, Stratagene, USA), 5 μl of mutagenesis buffer (Stratagene, USA) to prepare a reaction solution. After reaction was allowed at 95° C. for 30 seconds, 18 cycles of 95° C. for 30 seconds; 55° C. for 60 seconds; and 68° C. for 8 minutes were performed. After completion of the reaction, 1 μl of DpnI (NEB, USA) was added to the reaction solution, and allowed to react at 37° C. for 1 hour to remove pPROEX-T-TXNIP-TRX(C35A) used as the template. This reaction solution was added to E. coli DH5α cell for transformation, and plated on a 100 μg/ml LB-ampicillin medium to select E. coli transformants. Plasmids were extracted therefrom, and the nucleotide sequence of Txnip gene undergoing mutagenesis was examined. To obtain pPROEX-T-TXNIP(C120,170S)-TRX(C35A), pPROEX-T-TXNIP(C120S)-TRX(C35A) as a template and the primers of Table 5 were used. pPROEX-T-TXNIP(C120,170S)-TRX(C35A) as a template and the primers of Table 6 were used to obtain pPROEX-T-TXNIP(C120,170,205S)-TRX(C35A). pPROEX-T_TXNIPC120,170,205S-TRXC35A as a template and the primers of Table 7 were used to obtain pPROEX-T-TXNIP(C120,170,205,267S)-TRX(C35A). The nucleotide sequences thereof were examined in the same manner as in Example 1-4.

A series of the mutagenesis procedures is shown in the diagram of FIG. 2.

Example 3: Protein Expression and Purification

Expression of TRX and T-TXNIP complex, their modified complexes, and TRX(C35A)-N-TXNIP complex was induced with 0.5 mM IPTG in E. coli Rosetta-Gami™ (DE3) cells at 21° C. for 40 hours. Expression of the N-TXNIP(K5A/K6A) mutant was induced with 0.5 mM IPTG in E. coli C41(DE3) cells at 21° C. for 16 hours. Recombinant proteins were purified by Ni-NTA affinity chromatography, treated with rTEV protease to remove hexahistidine-tags and further purified by size-exclusion chromatography and additional Ni-NTA affinity chromatography. The purified proteins were dialyzed against 50 mM Tris-HCl (pH 7.0). A selenomethionine (SeMet)-substituted complex of TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6), and SeMet-substituted N-TXNIP(K5A/K6A) were expressed in the methionine auxotroph E. coli B834(DE3) (Novagen) grown in minimal medium supplemented with 50 mg/ml SeMet under the same conditions as the cells containing the native plasmid. The SeMet-substituted proteins were purified as for the native proteins. TRX and its modified protein were expressed in E. coli C41 (DE3) using 0.5 mM IPTG at 21° C. for 18 hours and purified by Ni-NTA agarose affinity and size-exclusion chromatography. The proteins were then dialyzed against 50 mM potassium phosphate (pH 6.6) for NMR experiments. E. coli C41 (DE3) transformed with plasmids encoding N-TXNIP or its modified protein were grown in M9 minimal medium enriched with (¹⁵NH₄)₂SO₄(99% ¹⁵N; Cambridge Isotope Laboratory, Inc.) as the sole nitrogen source. All ¹⁵N-labeled proteins were purified using Ni-NTA affinity chromatography. The proteins were then treated with rTEV protease to remove the hexahistidine-tags and dialyzed against 50 mM potassium phosphate (pH 6.6) as a final step before NMR.

Example 3-1: Expression of T-TXNIP(C120,170,205,267S) and TRX(C35A) in E. coli

The expression vector pPROEX-T-TXNIP(C120,170,205S,C267S)-TRX(C35A) prepared in Example 2-1 was transformed into a host cell, E. coli Rosetta-Gami(DE3) (Novagen Inc.). The transformed E. coli strain was cultured with shaking in 100 μg/ml LB-ampicillin-containing LB medium (1% bactotrypton, 0.5% yeast extract, 1% sodium chloride) for 12 hours, and then 2 ml thereof was transferred to 50 ml of LB medium (containing 100 ug/ml ampicillin). When absorbance at 600 nm was about 0.4-0.6, the culture temperature was reduced from 37° C. to 21° C., and the IPTG was added to a final concentration of 0.5 mM, followed by culture for about 40 hours. 10 ml of E. coli was taken and centrifuged at 6,500 rpm for 10 minutes to obtain a cell pellet, which was suspended in a buffer solution containing 50 mM Tris pH 8.0, 500 mM sodium chloride, 10% glycerol, and 1 mM DTT. Cells were disrupted using an ultrasonicator (VCX 500, Sonics, USA) on ice. This solution was centrifuged using a centrifuge at 16,000 rpm for 30 minutes, and then the supernatant and pellet were subjected to 15% SDS-polyacrylamide gel electrophoresis in accordance with the method of Laemmli et al., (1970 Nature 227: 680), and then proteins were stained with Coomassie Brilliant Blue for analysis.

Example 3-2: Purification of T-TXNIP(C120,170,205,267S) and TRX(C35A) Protein

E. coli in which T-TXNIP(C120,170,205,267S) and TRX(C35A) were expressed by the method in Example 2-1, was cultured in a 2-liter volume, and then centrifuged at 6,000 rpm for 10 minutes using a centrifuge to obtain an E. coli cell pellet, which was suspended in a buffer solution containing 50 mM Tris pH 8.0, 500 mM sodium chloride, 10% glycerol, and 1 mM DTT. Cells were disrupted using an ultrasonicator (VCX 500, Sonics, USA) on ice. This solution was centrifuged using a centrifuge at 16,000 rpm for 60 minutes, and then the supernatant was used in the following procedure:

The supernatant thus obtained was bound to Ni-NTA resin (Quiagen, USA) previously equilibrated with the buffer solution, and then Ni-NTA column was washed with a buffer solution containing 50 mM Tris pH 8.0, 500 mM sodium chloride, 10% glycerol, 1 mM DTT, and 30 mM Imidazole. Elution was carried out using a buffer solution containing 50 mM Tris pH 8.0, 500 mM sodium chloride, 10% glycerol, 1 mM DTT, and 250 mM Imidazole, and then SDS-PAGE was performed to collect only T-TXNIP(C120,170,205,267S)(SEQ ID NO: 6) and TRX(C35A)(SEQ ID NO:3) proteins, which were used in the following procedure: The T-TXNIP(C120,170,205,267S)(SEQ ID NO: 6) and TRX(C35A)(SEQ ID NO:3) proteins obtained in the above procedure were concentrated to 1 ml, and applied to a size-exclusion chromatography column (Superdex™ 200, 10/30 GL, GE) equilibrated with a buffer solution containing 50 mM Tris pH 8.0, 500 mM sodium chloride, 10% glycerol, and 2 mM DTT. Proteins were separated according to their molecular weight, and analyzed by electrophoresis, thereby collecting only T-TXNIP(C120,170,205,267S)(SEQ ID NO: 6) and TRX(C35A)(SEQ ID NO:3) proteins.

Example 4: Size-Exclusion Chromatography

A Superdex™ 200 10/300 GL gel filtration column (GE Healthcare) installed on an Acta purifier FPLC system (GE Healthcare) was equilibrated with 50 mM Tris-HCl (pH 8.0), 500 mM NaCl, and 10% glycerol at a flow rate of 0.4 ml/min at room temperature. Purified TRX-T-TXNIP and its mutants were injected onto the column Ovalbumin was used as a molecular weight standard.

Example 5: GST Pull-Down Assay and Coimmunoprecipitation Assay

To test the in vivo interprotomer interaction between TXNIP molecules, HEK 293T cells were transfected with plasmids expressing HA-tagged-TXNIP and FLAG-tagged T-TXNIP. 24 hours later, the cells were harvested and lysed in the 50 mM iodoacetamide-containing buffer [0.5% Triton X-100, 150 mM NaCl, 10% glycerol, 1 mM NaF, 1 mM AEBSF, 2 μg/mL leupeptin, 5 μg/mL aprotinin and 20 mM HEPES (pH 7.2)]. After centrifugation at 16,000 rpm for 20 minutes, the supernatant was incubated with anti-FLAG M2 agarose (Sigma) at 4° C. for 12 hours. The immobilized proteins were collected by centrifugation and washed three times with the lysis buffer. The bound proteins were subjected to SDS-PAGE under reduced and non-reduced conditions. For the assay demonstrating the TXNIP-TXNIP interaction, HEK 293T cells were transfected with combinations of expression plasmids. 24 hours later, the cells were harvested and lysed in the lysis buffer. After centrifugation at 16,000 g for 20 minutes, the supernatants were incubated at 4° C. for 12 hours with monoclonal anti-FLAG M2 agarose beads (Sigma) for immunoprecipitation, or with glutathione-conjugated sepharose beads (GE Healthcare) for pull-down assay. The immobilized proteins were collected by centrifugation and washed three times with lysis buffer. Bound proteins or WCLs were eluted by boiling in SDS sample buffer. To detect HA-tagged proteins, FLAG-tagged proteins or GST-fused proteins, the rabbit polyclonal anti-HA antibody (Santa Cruz Biotechnology), rabbit polyclonal anti-FLAG antibody (Santa Cruz Biotechnology) or rabbit polyclonal anti-GST antibody (Santa Cruz Biotechnology) was used and then HRP (horseradish peroxidase)-conjugated secondary antibody (Santa Cruz Biotechnology) was used to visualize the specific target bands in the membrane.

For immunoprecipitation assay showing the effect of TRX on the TXNIP-TXNIP interaction, the transfected HEK 293T cells were harvested and lysed in lysis buffer containing 0.5% Triton X-100, 150 mM NaCl, 10% glycerol and 20 mM HEPES (pH 7.2) supplemented with complete protease inhibitor cocktail (Roche). After incubation at 4° C. for 30 minutes, lysate was centrifuged at 16,000 g for 20 minutes. The supernatants were then precleared by incubation at 4° C. for 2 hours with 20 μl of protein G-sepharose beads (GE Healthcare) and centrifuged at 10,000 g for 5 minutes. The precleared lysate was incubated at 4° C. for 14 hours with the rabbit polyclonal anti-HA antibody (Santa Cruz Biotechnology), followed by further incubation at 4° C. for 5 hours with protein G-sepharose beads. After immunoprecipitation, the beads were washed five times with lysis buffer. Bound proteins or WCLs were eluted by boiling in LDS-PAGE loading buffer. To detect HA-tagged proteins or FLAG-tagged proteins, the mouse monoclonal anti-HA antibody (Abcam) or the mouse anti-FLAG antibody (Sigma) was used and then HRP (horseradish peroxidase)-conjugated secondary antibody (Santa Cruz Biotechnology) or peroxidase-conjugated light chain specific secondary antibody (Jackson ImmunoResearch Laboratories. Inc) was used to visualize the specific target bands in the membrane.

Example 6: Crystallization and Structure Determination

Because N-TXNIP was not crystallized, N-TXNIP(K5A/K6A)(SEQ ID NO: 8) with reduced surface entropy was crystallized using the sitting drop vapor-diffusion method at 21° C. The best crystals were obtained with sodium-potassium phosphate (0.75 M) and 0.1 M HEPES-Na (pH 7.5). Diffraction data were collected at beamline 4A of Pohang Accelerator Laboratory (PAL) at a resolution of 1.6 Å. SeMet-substituted K5A/K6A crystals were grown under the same crystallization conditions as for the wild-type protein (native protein).

Multiple-wavelength anomalous diffraction (MAD) data for the SeMet-substituted crystals were collected at beamline 6 C of PAL at a resolution of 1.8 Å. The TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NOL 6) complex crystals were optimized in 0.16 M sodium citrate and 16% PEG 3350, and diffraction data were collected at a resolution of 2.0 Å at PAL beamline 4A. SeMet-substituted crystals were grown under 0.2 M sodium citrate and 20% PEG 3,350. MAD data were collected at a resolution of 3.0 Å at PAL beamline 6 C. Crystals of the TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) complex were optimized using conditions similar to those for the other complex, and diffraction data were collected at a resolution of 2.7 Å at PAL beamline 4A. All data were processed with the HKL2000 package. The N-TXNIP(K5A/K6A) (SEQ ID NO: 8) structure was determined by analyzing anomalous signals from Se atoms with the program SOLVE55. Density modification and subsequent automated model building were carried out using RESOLVE. The N-TXNIP(K5A/K6A) (SEQ ID NO: 8) crystal structure was solved at a resolution of 1.6 Å using the molecular replacement method (MR) with the program MOLREP, based on the partially refined structure of the SeMet crystal. The SeMet-substituted TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) structure was determined using SOLVE, and subsequent automated model building was carried out using RESOLVE. The complex structure at a resolution of 2.0 Å was solved by MR using the partially refined SeMet complex structure. The TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) complex structure was determined by MR using the TRX(C35A)(SEQ ID NO:3) and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex model. All structures were revised using COOT and refined with REFMAC5.

All crystallographic data investigated by the method are summarized in the following Table 8. Further, the atomic coordinates of N-TXNIP(K5A/K6A) (SEQ ID NO: 8), COM1, and COM2 are summarized in the following Tables 9, 10, and 11, respectively.

TABLE 8

SeMet_N-TXNIP
N-TXN P

Data collection

Space group
P2₁2₁2₁
P2₁2₁2₁

Cell dimensions

a, b, c (Å)
37.30, 56.86, 67.80
37.43, 56.62, 67.66

α, β, γ(°)
90, 90, 90
90, 90, 90

Peak
Inflection
Remote

Wavelength
0.9795
0.9796
0.9840
1.0000

Resolution (Å)
50-1.8
(1.86-1.8)
50-1.8
(1.86-1.8)
50-1.8
(1.86-1.8)
50-1.6
(1.66-1.6)*

No. total reflections
139,452
189,441
140,939
114,345

No. unique reflections
13,873
13,947
13,975
18,976

Redundancy
10.1
(7.2)
13.6
(11.5)
10.1
(5.9)
6.0
(4.3)

Completeness (%)
99.9
(99.6)
100
(99.9)
99.7
(97.5)
97.0
(90.5)

R_sym(%)^a
11.7
(66.8)
9.1
(57.9)
9.2
(77.8)
8.3
(41.6)

I/σI
15.15
(2.7)
35.41
(3.69)
24.36
(1.93)
27.12
(2.28)

Refinement

Resolution (Å)

18.0-1.6

R_work/R_free^b,c

0.171/0.227

R.m.s. deviations

Bond lengths (Å)

0.008

Bond angles. (°)

1.129

No. atoms^d

Protein

1,203

Waters

100

Average B-factors (Å²)

Protein

23.90

Water

39.32

Geometry (%)

Favored region

90.6

Allowed region

9.4

PDB ID

3ZXM

SeMet_Com1

Com1
Com2

Data collection

Space group

P2₁

P2₁
P2₁

Cell dimensions

a, b, c(Å)

80.26, 61.34, 86.82

80.14, 64.02, 88.30
79.83, 64.99, 88.42

α, β, γ(°)

90, 90.74, 90

90, 91.28, 90
90, 90.88, 90

Peak
Inflection
Remote

Wavelength
0.9796
0.9798
0.9720
1.1000
1.1000

Resolution (Å)
50-3.0 (3.11-3.0)
50-3.0 (3.11-3.0)
50-3.0 (3.11-3.0)
50-2.0 (2.07.2.0)
50-2.7 (2.8-2.7)

No. total reflections
103,337
102,172
101,165
383,487
167,343

No. unique reflections
17,243
17,243
17,183
58,935
24,910

Redundancy
6.0 (5.0)
5.9 (4.9)
5.9 (4.9)
6.5 (5.0)
6.7 (6.1)

Completeness (%)
99.0 (98.0)
99.0 (98.4)
98.9 (98.0)
96.6 (79.1)
99.9 (100)

R_sym(%)^a
9.6 (30.8)
9.5 (33.1)
95 (37.2)
5.4 (38.9)
9.1 (54.9)

I/σI
24.33 (4.81)
23.28 (4.57)
21.11 (3.85)
39.83 (2.65)
24.06 (2.81)

Refinement

Resolution (Å)

30.0-2.0
40.0-2.7

R_work/R_free^b,c

0.22/0.288
0.196/0.264

R.m.s. deviations

Bond lengths (Å)

0.015
0.022

Bond angles (°)

1.594
2.148

No. atoms^d

Protein

6,011
6,015

Waters

248
59

Average B-factors (Å²)

Protein

52.77
57.06

Water

52.33
52.92

Geometry (%)

Favored region

92.1
86.8

Allowed region

7.9
13.1

PDB ID

3ZY8
3ZY9

TABLE 9

Atomic coordinates for N-TXNIP(K5A/K6A) protein (SEQ ID NO: 8)

HEADER
----
XX-XXX-9-XXXX

COMPND
--REMARK 3

REMARK
3
REFINEMENT.

REMARK
3
PROGRAM: REFMAC 5.2.0019

REMARK
3
AUTHOHS: MURSHUDOV, VAGIN, DODSON

REMARK
3

REMARK
3
REFINEMENT TARGET: MAXIMUM LIKELIHOOD

REMARK
3

REMARK
3
DATA USED IN REFINEMENT.

REMARK
3
RESOLUTION RANGE HIGH
(ANGSTROMS):
1.60

REMARK
3
RESOLUTION RANGE LOW
(ANGSTROMS):
18.78

REMARK
3
DATA CUTOFF
(SIGMA(F)):
NONE

REMARK
3
COMPLETENESS FOR RANGE
(%):
97.02

REMARK
3
NUMBER OF REFLECTIONS:
17968

REMARK
3

REMARK
3
FIT TO DATA USED IN REFINEMENT.

REMARK
3
CROSS-VALIDATION METHOD:
THROUGHOUT

REMARK
3
FREE R VALUE TEST SET SELECTION:
RANDOM

REMARK
3
R VALUE
(WORKING + TEST SET):
0.17423

REMARK
3
R VALUE
(WORKING SET):
0.17136

REMARK
3
FREE R VALUE:
0.22711

REMARK
3
FREE R VALUE TEST SET SIZE
(%):
5.1

REMARK
3
FREE R VALUE TEST SET COUNT:
972

REMARK
3

REMARK
3
FIT IN THE HIGHEST RESOLUTION, BIN.

REMARK
3
TOTAL NUMBER OF BINS USED:
20

REMARK
3
BIN RESOLUTION RANGE HIGH:
1.602

REMARK
3
BIN RESOLUTION RANGE LOW:
1.644

REMARK
3
REFLECTION IN BIN
(WORKING SET):
1164

REMARK
3
BIB COMPLETENESS (WORKING + TEST) (%):
86.99

REMARK
3
BIN R VALUE
(WORKING SET):
0.175

REMARK
3
BIN FREE R VALUE SET COUNT:
66

REMARK
3
BIN FREE R VALUE:
0.278

REMARK
3

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

REMARK
3
ALL ATOMS:
1309

REMARK
3

REMARK
3
B VALUES.

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

REMARK
3
MEAN B VALUE
(OVERALL, A**2):
25.152

REMARK
3
OVERALL ANISOTROPIC B VALUE.

REMARK
3
B11 (A**2):
−0.52

REMARK
3
B22 (A**2):
1.57

REMARK
3
B33 (A**2):
−1.05

REMARK
3
B12 (A**2):
0.00

REMARK
3
B13 (A**2):
0.00

REMARK
3
B23 (A**2):
0.00

REMARK
3

REMARK
3
ESTIMATED OVERALL COORDINATE ERROR.

REMARK
3
ESU BASED ON R VALUE
(A):
0.130

REMARK
3
ESU BASED ON FREE R VALUE
(A):
0.101

REMARK
3
ESU BASED ON MAXIMUM LIKELIHOOD
(A):
0.062

REMARK
3
ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2):
3.815

REMARK
3

REMARK
3
CORRELATION COEFFICIENTS.

REMARK
3
CORRELATION COEFFICIENTS FO-FC:
0.962

REMARK
3
CORRELATION COEFFICIENTS FO-FC FREE:
0.946

REMARK
3

REMARK
3
RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK
3
BOND LENGTHS REFINED ATOMS (A): 1236; 0.008; 0.022

REMARK
3
BOND ANGLES REFINED ATOMS (DEGREES): 1673; 1.129; 1.973

REMARK
3
TORSION ANGLES, PERIOD 1 (DEGREES): 154; 6.455; 5.000

REMARK
3
TORSION ANGLES, PERIOD 2 (DEGREES): 56; 30.081; 25.000

REMARK
3
TORSION ANGLES, PERIOD 3 (DEGREES): 216; 11.963; 15.000

REMARK
3
TORSION ANGLES, PERIOD 4 (DEGREES): 6; 14.421; 15.000

REMARK
3
CHIRAL-CENTER RESTRINTS (A**3): 180; 0.075; 0.200

REMARK
3
GENERAL PLANES REFINED ATOMS (A): 939; 0.004; 0.020

REMARK
3
NON-BONDED CONTACTS REFINED ATOMS (A): 470; 0.189; 0.200

REMARK
3
NON-BONDED TORSION REFINED ATOMS (A): 844; 0.304; 0.200

REMARK
3
H-BOND (X . . . Y) REFINED ATOMS (A): 80; 0.103; 0.200

REMARK
3
SYMMETRY VDW REFINED ATOMS (A): 55; 0.244; 0.200

REMARK
3
SYMMETRY H-BOND REFINED ATOMS (A): 10; 0.127; 0.200

REMARK
3

REMARK
3
ISOTROPIC THERMAL FACTOR RESTRAINTS.
COUNT RMS WEIGHT

REMARK
3
MAIN-CHAIN BOND REFINED ATOMS (A**2):
789; 2.624; 3.000

REMARK
3
MAIN-CHAIN ANGEL REFINED ATOMS (A**2):
1233; 3.504; 5.000

REMARK
3
SIDE-CHAIN BOND REFINED ATOMS (A**2):
520; 5.721; 8.000

REMARK
3
SIDE-CHAIN ANGEL REFINED ATOMS (A**2):
440; 7.977; 11.000

REMARK
3

REMARK
3
NCS RESTRAINTS STATISTICS

REMARK
3
NUMBER OF NCS GROUPS: NULL

REMARK
3

REMARK
3

REMARK
3
TLS DETAILS

REMARK
3
NUMBER OF TLS GROUPS: 1

REMARK
3
ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS

REMARK
3
ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS

REMARK
3

REMARK
3
TLS GROUP: 1

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS
C SSSEQI
TO
C SSSEQI

REMARK
3
RESIDUE RANGE:
A
4
A
154

REMARK
3
ORIGIN FOR THE GROUP (A):
16.6030 −1.6540 1.9700

REMARK
3
T TENSOR

REMARK
3
T11:
−0.0181
T22:
0.0051

REMARK
3
T33:
−0.0419
T12:
0.0000

REMARK
3
T13:
−0.0027
T23:
0.0000

REMARK
3
L TENSOR

REMARK
3
L11:
0.9770
L22:
0.3478

REMARK
3
L33:
0.4541
L12:
−0.4797

REMARK
3
L13:
0.3257
L23:
0.1286

REMARK
3
S TENSOR

REMARK
3
S11:
−0.0141
S12:
−0.0378 S13: −0.0250

REMARK
3
S21:
0.0094
S22:
0.0361 S23: −0.0045

REMARK
3
S31:
0.0003
S32:
−0.0356 S33: −0.0220

REMARK
3

REMARK
3

REMARK
3
BULK SOLVENT MODELLING.

REMARK
3
METHOD USED: MASK

REMARK
3
PARAMETERG FOR MASK CALCULATION

REMARK
3
VDW PROBE RADIUS:
1.20

REMARK
3
ION PROBE RADIUS:
0.80

REMARK
3
SHRINKAGE RADIUS:
0.80

REMARK
3

REMARK
3
OTHER REFINEMENT REMARKS: NULL

REMARK
3

LINK
ILE A 46
ALA A 48

SSBOND
1 CYS A 63 CYS A 120

CRYST1
37.431 56.621 67.660 90.00 90.00 90.00 P 21 21 21

SCALE1
0.026716
0.000000
0.000000
0.000000

SCALE2
0.000000
0.017661
0.000000
0.000000

SCALE3
0.000000
0.000000
0.014780
0.000000

ATOM
1
N
VAL
A
4
6.588
−4.946
−16.753
1.00
32.49

N

ANISOU
1
N
VAL
A
4
4054
4600
3690
269
−313
−344
N

ATOM
2
CA
VAL
A
4
6.134
−6.49
−16.022
1.00
31.87

C

ANISOU
2
CA
VAL
A
4
3965
4455
3688
228
−358
−39
C

ATOM
3
CB
VAL
A
4
7.210
−6.722
15.069
1.00
32.41

C

ANISOU
3
CB
VAL
A
4
4044
4481
3789
200
−345
−355
C

ATOM
4
CG1
VAL
A
4
7.622
−5.706
−14.039
1.00
35.34

C

ANISOU
4
CG1
VAL
A
4
4423
4852
4154
166
−283
−287
C

ATOM
5
CG2
VAL
A
4
6.691
−7.985
−14.381
1.00
34.48

C

ANISOU
5
CG2
VAL
A
4
4292
4674
4133
160
−394
−373
C

ATOM
6
C
VAL
A
4
4.865
−5.845
−15.239
1.00
30.08

C

ANISOU
6
C
VAL
A
4
3720
4204
3504
180
−356
−335
C

ATOM
7
O
VAL
A
4
4.907
−5.176
−14.198
1.00
27.32

O

ANISOU
7
O
VAL
A
4
3374
3844
3164
143
−312
−280
O

ATOM
8
N
ALA
A
5
3.737
−6.341
−15.750
1.00
29.02

N

ANISOU
8
N
ALA
A
5
3566
4065
3395
183
−407
−372
N

ATOM
9
CA
ALA
A
5
2.432
−6.086
−15.149
1.00
28.65

C

ANISOU
9
CA
ALA
A
5
3495
4005
3387
143
−408
−341
C

ATOM
10
CB
ALA
A
5
2.239
−6.931
−13.873
1.00
28.88

C

ANISOU
10
CB
ALA
A
5
3506
3970
3496
83
−419
−314
C

ATOM
11
C
ALA
A
5
2.274
−4.588
−14.858
1.00
27.43

C

ANISOU
11
C
ALA
A
5
3348
3889
3184
144
−347
−286
C

ATOM
12
O
ALA
A
5
1.969
−4.183
−13.729
1.00
28.15

O

ANISOU
12
O
ALA
A
5
3433
3963
3298
104
−316
−237
O

ATOM
13
N
ALA
A
6
2.528
−3.783
−15.892
1.00
23.33

N

ANISOU
13
N
ALA
A
6
2844
3424
2597
194
−331
−294
N

ATOM
14
CA
ALA
A
6
2.424
−2.321
−15.834
1.00
22.79

C

ANISOU
14
CA
ALA
A
6
2784
3390
2484
202
−280
−246
C

ATOM
15
CB
ALA
A
6
1.225
−1.881
−15.007
1.00
23.29

C

ANISOU
15
CB
ALA
A
6
2829
3442
2577
167
−272
−213
C

ATOM
16
C
ALA
A
6
3.676
−1.631
−15.330
1.00
20.74

C

ANISOU
16
C
ALA
A
6
2546
3129
2204
198
−228
−205
C

ATOM
17
O
ALA
A
6
3.832
−0.431
−15.538
1.00
20.05

O

ANISOU
17
O
ALA
A
6
2469
3070
2079
214
−192
−170
O

ATOM
18
N
ILE
A
7
4.549
−2.365
−14.641
1.00
19.41

N

ANISOU
18
N
ILE
A
7
2385
2924
2066
174
−228
−208
N

ATOM
19
CA
ILE
A
7
5.692
−1.733
−13.981
1.00
17.30

C

ANISOU
19
CA
ILE
A
7
2133
2649
1789
163
−183
−169
C

ATOM
20
CB
ILE
A
7
6.048
2.400
−12.633
1.00
16.07

C

ANISOU
20
CB
ILE
A
7
1977
2443
1684
118
−182
−158
C

ATOM
21
CG1
ILE
A
7
4.789
−2.569
−11.754
1.00
16.35

C

ANISOU
21
CG1
ILE
A
7
1993
2457
1761
83
−193
−143
C

ATOM
22
CD1
ILE
A
7
4.031
−1.269
−11.449
1.00
17.42

C

ANISOU
22
CD1
ILE
A
7
2128
2616
1877
83
−165
−108
C

ATOM
23
CG2
ILE
A
7
7.149
−1.615
−11.916
1.00
15.68

C

ANISOU
23
CG2
ILE
A
7
1943
2388
1625
108
−139
−212
C

ATOM
24
C
ILE
A
7
6.908
−1.639
−14.905
1.00
17.78

C

ANISOU
24
C
ILE
A
7
2207
2743
1806
204
−171
−177
C

ATOM
25
O
ILE
A
7
7.391
−2.639
−15.425
1.00
21.43

O

ANISOU
25
O
ILE
A
7
2668
3207
2265
225
−199
−219
O

ATOM
26
N
LYS
A
8
7.373
−0.408
−15.093
1.00
16.91

N

ANISOU
26
N
LYS
A
8
2104
2659
1664
216
−130
−134
N

ATOM
27
CA
LYS
A
8
8.517
−0.098
−15.946
1.00
17.18

C

ANISOU
27
CA
LYS
A
8
2141
2733
1654
254
−108
−122
C

ATOM
28
CB
LYS
A
8
8.326
1.306
−16.534
1.00
19.14

C

ANISOU
28
CB
LYS
A
8
2387
3017
1867
276
−76
−75
C

ATOM
29
CG
LYS
A
8
9.415
1.804
−17456
1.00
22.55

C

ANISOU
29
CG
LYS
A
8
2815
3498
2254
315
−47
−43
C

ATOM
30
CD
LYS
A
8
9.080
3.212
−17.917
1.00
25.27

C

ANISOU
30
CD
LYS
A
8
3156
3868
2577
330
−19
13
C

ATOM
31
CE
LYS
A
8
10.194
3.815
−18.760
1.00
28.39

C

ANISOU
31
CE
LYS
A
8
3540
4311
2935
364
16
63
C

ATOM
32
NZ
LYS
A
8
11.406
4.090
−17.945
1.00
37.63

N

ANISOU
32
NZ
LYS
A
8
4709
5445
4142
328
42
98
N

ATOM
33
C
LYS
A
8
9.852
−0.178
−15.203
1.00
16.34

C

ANISOU
33
C
LYS
A
8
2041
2602
1567
233
−84
−102
C

ATOM
34
O
LYS
A
8
10.866
−0.605
−15.764
1.00
18.18

O

ANISOU
34
O
LYS
A
8
2273
2860
1776
260
−82
−113
O

ATOM
35
N
ASER
A
9
9.837
0.244
−13.944
0.50
14.34

N

ANISOU
35
N
ASER
A
9
1792
2304
1351
188
−69
−76
N

ATOM
36
N
BSER
A
9
9.862
0.267
−13.947
0.50
14.82

N

ANISOU
36
N
BSER
A
9
1853
2365
1411
188
−68
−75
N

ATOM
37
CA
ASER
A
9
11.025
0.264
−13.120
0.50
13.92

C

ANISOU
37
CA
ASER
A
9
1745
2227
1320
165
−50
−57
C

ATOM
38
CA
BSER
A
9
11.072
0.251
−13.132
0.50
14.95

C

ANISOU
38
CA
BSER
A
9
1874
2357
1449
166
−49
−57
C

ATOM
39
CB
ASER
A
9
11.864
1.503
−13.423
0.50
14.63

C

ANISOU
39
CB
ASER
A
9
1831
2335
1392
175
−13
−8
C

ATOM
40
CB
BSER
A
9
12.050
1.350
−13.567
0.50
15.54

C

ANISOU
40
CB
BSER
A
9
1946
2456
1503
180
−14
−11
C

ATOM
41
OG
ASER
A
9
13.063
1.502
−12.674
0.50
14.78

O

ANISOU
41
OG
ASER
A
9
1851
2330
1434
154
2
7
O

ATOM
42
OG
BSER
A
9
11.567
2.638
−13.229
0.50
19.95

O

ANISOU
42
OG
BSER
A
9
2506
3002
2072
166
4
27
O

ATOM
43
C
ASER
A
9
10.602
0.254
−11.664
0.50
12.92

C

ANISOU
43
C
ASER
A
9
1621
2052
1236
122
−52
−51
C

ATOM
44
C
BSER
A
9
10.720
0.402
−11.661
0.50
13.66

C

ANISOU
44
C
BSER
A
9
1715
2146
1328
122
−47
−46
C

ATOM
45
O
ASER
A
9
9.519
0.735
−11.318
0.50
12.43

O

ANISOU
45
O
ASER
A
9
1558
1984
1182
111
−54
−42
O

ATOM
46
O
BSER
A
9
9.810
1.153
−11.304
0.50
13.98

O

ANISOU
46
O
BSER
A
9
1756
2182
1375
112
−43
−29
O

ATOM
47
N
PHE
A
10
11.455
−0.322
−10.823
1.00
13.57

N

ANISOU
47
N
PHE
A
10
1707
2107
1343
102
−51
−54
N

ATOM
48
CA
PHE
A
10
11.222
−0.367
−9.386
1.00
12.00

C

ANISOU
48
CA
PHE
A
10
1624
1985
1292
68
−50
−45
C

ATOM
49
CB
PHE
A
10
10.333
−1.572
−9.034
1.00
13.74

C

ANISOU
49
CB
PHE
A
10
1723
2074
1423
53
−80
−68
C

ATOM
50
CG
PHE
A
10
9.907
−1.619
−7.586
1.00
13.93

C

ANISOU
50
CG
PHE
A
10
1743
2074
1476
25
−76
−49
C

ATOM
51
CD1
PHE
A
10
9.568
−0.457
−6.903
1.00
14.02

C

ANISOU
51
CD1
PHE
A
10
1756
2090
1481
21
−56
−24
C

ATOM
52
CE1
PHE
A
10
9.162
−0.503
−5.563
1.00
14.76

C

ANISOU
52
CE1
PHE
A
10
2092
2421
1840
5
−52
−8
C

ATOM
53
CZ
PHE
A
10
9.085
−1.722
−4.907
1.00
14.49

C

ANISOU
53
CZ
PHE
A
10
1800
2123
1584
−12
−65
−8
C

ATOM
54
CE2
PHE
A
10
9.413
−2.887
−5.583
1.00
16.25

C

ANISOU
54
CE2
PHE
A
10
2021
2331
1823
−15
−87
−30
C

ATOM
55
CD2
PHE
A
10
9.805
−2.837
−6.916
1.00
15.39

C

ANISOU
55
CD2
PHE
A
10
1920
2234
1694
5
−94
−56
C

ATOM
56
C
PHE
A
10
12.601
−0.514
−8.773
1.00
14.48

C

ANISOU
56
C
PHE
A
10
1828
2169
1502
59
−38
−38
C

ATOM
57
O
PHE
A
10
13.280
−1.523
−9.006
1.00
14.39

O

ANISOU
57
O
PHE
A
10
1818
2158
1494
65
−49
−60
O

ATOM
58
N
GLU
A
11
13.045
0.503
−8.038
1.00
12.99

N

ANISOU
58
N
GLU
A
11
1643
1970
1323
47
−18
−12
N

ATOM
59
CA
GLU
A
11
14.418
0.489
−7.527
1.00
15.14

C

ANISOU
59
CA
GLU
A
11
1916
2230
1607
40
−8
−6
C

ATOM
60
CB
GLU
A
11
15.387
10.53
−8.567
1.00
17.78

C

ANISOU
60
CB
GLU
A
11
2244
2589
1924
58
9
12
C

ATOM
61
CG
GLU
A
11
15.252
2.542
−8.843
1.00
21.55

C

ANISOU
61
CG
GLU
A
11
2718
3068
2402
59
25
48
C

ATOM
62
CD
GLU
A
11
16.203
3.044
−9.929
1.00
30.13

C

ANISOU
62
CD
GLU
A
11
3790
4185
3474
77
45
79
C

ATOM
63
OE1
GLU
A
11
17.220
2.372
−10.219
1.00
33.09

O

ANISOU
63
OE1
GLU
A
11
4156
4577
3839
86
50
74
O

ATOM
64
OE2
GLU
A
11
15.927
4.132
−10.487
1.00
39.30

O

ANISOU
64
OE2
GLU
A
11
4946
5355
4632
84
57
113
O

ATOM
65
C
GLU
A
11
14.585
1.238
−6.219
1.00
14.75

C

ANISOU
65
C
GLU
A
11
1871
2155
1580
22
−2
8
C

ATOM
66
O
GLU
A
11
13.833
2.158
−5.941
1.00
13.74

O

ANISOU
66
O
GLU
A
11
1744
2023
1452
22
0
19
O

ATOM
67
N
VAL
A
12
15.581
0.820
−5.438
1.00
13.52

N

ANISOU
67
N
VAL
A
12
1715
1984
1438
13
−2
3
N

ATOM
68
CA
VAL
A
12
16.050
1.549
−4.265
1.00
14.45

C

ANISOU
68
CA
VAL
A
12
1834
2081
1574
3
−1
10
C

ATOM
69
CB
VAL
A
12
16.468
0.574
−3.122
1.00
14.14

C

ANISOU
69
CB
VAL
A
12
1797
2031
1545
−4
−9
−3
C

ATOM
70
CG1
VAL
A
12
17.154
1.317
−1.974
1.00
14.70

C

ANISOU
70
CG1
VAL
A
12
1868
2086
1630
−6
−11
−3
C

ATOM
71
CG2
VAL
A
12
15.263
−0.195
−2.009
1.00
15.84

C

ANISOU
71
CG2
VAL
A
12
2012
2248
1757
−7
−17
−6
C

ATOM
72
C
VAL
A
12
17.249
2.408
−4.697
1.00
14.98

C

ANISOU
72
C
VAL
A
12
1895
2146
1653
3
10
27
C

ATOM
73
O
VAL
A
12
18.189
1.905
−5.290
1.00
15.54

O

ANISOU
73
O
VAL
A
12
1958
2229
1719
7
16
29
O

ATOM
74
N
VAL
A
13
17.197
3.705
−4.420
1.00
15.10

N

ANISOU
74
N
VAL
A
13
1908
2143
1685
0
9
41
N

ATOM
75
CA
VAL
A
13
18.279
4.615
−4.793
1.00
16.01

C

ANISOU
75
CA
VAL
A
13
2010
2248
1824
−6
15
66
C

ATOM
76
CB
VAL
A
13
17.807
5.655
−5.872
1.00
17.13

C

ANISOU
76
CB
VAL
A
13
2147
2397
1986
1
25
99
C

ATOM
77
CG1
VAL
A
13
18.910
6.668
−6.190
1.00
23.67

C

ANISOU
77
CG1
VAL
A
13
2956
3209
2831
−9
30
137
C

ATOM
78
CG2
VAL
A
13
17.354
4.955
−7.140
1.00
19.50

C

ANISOU
78
CG2
VAL
A
13
2445
2739
2225
19
38
103
C

ATOM
79
C
VAL
A
13
18.745
5.349
−3.538
1.00
15.69

C

ANISOU
79
C
VAL
A
13
1971
2173
1819
−15
−2
57
C

ATOM
80
O
VAL
A
13
17.966
6.075
−2.927
1.00
17.64

O

ANISOU
80
O
VAL
A
13
2227
2403
2073
−9
−16
47
O

ATOM
81
N
PHE
A
14
19.998
5.147
−3.141
1.00
15.15

N

ANISOU
81
N
PHE
A
14
1891
2095
1769
−24
−5
55
N

ATOM
82
CA
PHE
A
14
20.545
5.875
−1.992
1.00
15.41

C

ANISOU
82
CA
PHE
A
14
1922
2094
1839
−29
−28
40
C

ATOM
83
CB
PHE
A
14
21.745
5.151
−1.374
1.00
15.63

C

ANISOU
83
CB
PHE
A
14
1941
2123
1874
−35
−32
26
C

ATOM
84
CG
PHE
A
14
21.410
3.787
−0.828
1.00
15.36

C

ANISOU
84
CG
PHE
A
14
1921
2111
1805
−25
−28
3
C

ATOM
85
CD1
PHE
A
14
20.620
3.644
0.322
1.00
14.03

C

ANISOU
85
CD1
PHE
A
14
1767
1942
1623
13
−41
−20
C

ATOM
86
CE1
PHE
A
14
20.295
2.368
0.815
1.00
17.03

C

ANISOU
86
CE1
PHE
A
14
2154
2340
1977
−6
−37
−29
C

ATOM
87
CZ
PHE
A
14
20.756
1.233
0.148
1.00
16.73

C

ANISOU
87
CZ
PHE
A
14
2114
2314
1930
−12
−26
−24
C

ATOM
88
CE2
PHE
A
14
21.536
1.376
−0.997
1.00
15.44

C

ANISOU
88
CE2
PHE
A
14
1939
2155
1774
−18
−15
−10
C

ATOM
89
CD2
PHE
A
14
21.861
2.647
−1.473
1.00
17.44

C

ANISOU
89
CD2
PHE
A
14
2181
2397
2049
−25
−13
7
C

ATOM
90
C
PHE
A
14
20.915
7.286
−2.436
1.00
17.35

C

ANISOU
90
C
PHE
A
14
2153
2310
2129
−39
−35
69
C

ATOM
91
O
PHE
A
14
21.386
7.485
−3.567
1.00
10.14

O

ANISOU
91
O
PHE
A
14
2361
2547
2363
−47
−16
109
O

ATOM
92
N
ASN
A
15
20.689
8.259
−1.555
1.00
16.86

N

ANISOU
92
N
ASN
A
15
2096
2211
2098
−36
−64
50
N

ATOM
93
CA
ASN
A
15
20.919
9.665
−1.897
1.00
18.89

C

ANISOU
93
CA
ASN
A
15
2341
2427
2410
−46
−80
75
C

ATOM
94
CB
ASN
A
15
20.483
10.563
−0.742
1.00
19.39

C

ANISOU
94
CB
ASN
A
15
2417
2451
2499
−31
−121
35
C

ATOM
95
CG
ASN
A
15
18.974
10.595
−0.571
1.00
20.87

C

ANISOU
95
CG
ASN
A
15
2629
2656
2644
−5
−120
17
C

ATOM
96
OD1
ASN
A
15
18.230
10.178
−1.458
1.00
24.30

O

ANISOU
96
OD1
ASN
A
15
3067
3122
3043
−4
−92
39
O

ATOM
97
ND2
ASN
A
15
18.518
11.115
0.558
1.00
22.68

N

ANISOU
97
ND2
ASN
A
15
2871
2870
2878
19
−154
−27
N

ATOM
98
C
ASN
A
15
22.360
9.938
−2.292
1.00
20.97

C

ANISOU
98
C
ASN
A
15
2573
2675
2722
−70
−78
109
C

ATOM
99
O
ASN
A
15
22.628
10.713
−3.219
1.00
22.32

O

ANISOU
99
O
ASN
A
15
2722
2832
2926
−83
−70
159
O

ATOM
100
N
ASP
A
16
23.281
9.298
−1.573
1.00
20.29

N

ANISOU
100
N
ASP
A
16
2479
2591
2638
−75
−86
85
N

ATOM
101
CA
ASP
A
16
24.679
9.238
−1.979
1.00
21.87

C

ANISOU
101
CA
ASP
A
16
2646
2792
2872
−96
−78
116
C

ATOM
102
CB
ASP
A
16
25.604
9.780
−0.888
1.00
21.90

C

ANISOU
102
CB
ASP
A
16
2636
2752
2935
−106
−119
90
C

ATOM
103
CG
ASP
A
16
27.059
9.855
−1.339
1.00
25.94

C

ANISOU
103
CG
ASP
A
16
3104
3262
3491
−132
−112
130
C

ATOM
104
OD1
ASP
A
16
27.396
9.317
−2.422
1.00
27.05

O

ANISOU
104
OD1
ASP
A
16
3227
3445
3604
−135
−71
175
O

ATOM
105
OD2
ASP
A
16
27.870
10.454
−0.599
1.00
28.91

O

ANISOU
105
OD2
ASP
A
16
3461
3596
3929
−145
−150
115
O

ATOM
106
C
ASP
A
16
25.011
7.787
−2.285
1.00
21.78

C

ANISOU
106
C
ASP
A
16
2637
2835
2806
87
47
112
C

ATOM
107
O
ASP
A
16
25.268
7.003
−1.368
1.00
20.90

O

ANISOU
107
O
ASP
A
16
2536
2729
2676
−80
−58
73
O

ATOM
108
N
PRO
A
17
24.994
7.423
−3.576
1.00
22.88

N

ANISOU
108
N
PRO
A
17
2765
3013
2916
−84
−13
152
N

ATOM
109
CA
PRO
A
17
25.234
6.046
−4.003
1.00
24.02

C

ANISOU
109
CA
PRO
A
17
2913
3207
3008
−69
11
143
C

ATOM
110
CB
PRO
A
17
25.038
6.105
−5.523
1.00
24.92

C

ANISOU
110
CB
PRO
A
17
3013
3360
3094
−58
42
189
C

ATOM
111
CG
PRO
A
17
25.210
7.521
−5.877
1.00
27.39

C

ANISOU
111
CG
PRO
A
17
3303
3646
3460
−76
40
238
C

ATOM
112
CD
PRO
A
17
24.699
8.303
4.722
1.00
25.88

C

ANISOU
112
CD
PRO
A
17
3130
3395
3309
−87
4
206
C

ATOM
113
C
PRO
A
17
26.630
5.531
−3.661
1.00
22.75

C

ANISOU
113
C
PRO
A
17
2729
3054
2861
−76
10
140
C

ATOM
114
O
PRO
A
17
26.843
4.320
−3.631
1.00
23.57

O

ANISOU
114
O
PRO
A
17
2842
3187
2926
−61
19
117
O

ATOM
115
N
GLU
A
18
27.562
6.430
−3.372
1.00
21.14

N

ANISOU
115
N
GLU
A
18
2495
2819
2716
−97
−4
161
N

ATOM
116
CA
GLU
A
18
28.923
6.016
−3.035
1.00
19.85

C

ANISOU
116
CA
GLU
A
18
2306
2665
2572
−104
−7
160
C

ATOM
117
CB
GLU
A
18
29.964
6.934
−3.702
1.00
21.11

C

ANISOU
117
CB
GLU
A
18
2414
2820
2788
−126
1
223
C

ATOM
118
CG
GLU
A
18
29.778
7.168
−5.223
1.00
27.34

C

ANISOU
118
CG
GLU
A
18
3182
3650
3555
−119
40
287
C

ATOM
119
CD
GLU
A
18
29.338
5.926
−5.993
1.00
34.89

C

ANISOU
119
CD
GLU
A
18
4160
4670
4428
−83
70
273
C

ATOM
120
OE1
GLU
A
18
28.459
6.062
−6.870
1.00
36.47

O

ANISOU
120
OE1
GLU
A
18
4370
4892
4595
−68
87
292
O

ATOM
121
OE2
GLU
A
18
29.855
4.821
−5.716
1.00
39.98

O

ANISOU
121
OE2
GLU
A
18
4809
5340
5041
−68
72
240
O

ATOM
122
C
GLU
A
18
29.178
5.930
−1.529
1.00
18.27

C

ANISOU
122
C
GLU
A
18
2119
2432
2392
−106
−43
107
C

ATOM
123
O
GLU
A
18
30.242
5.486
−1.104
1.00
18.46

O

ANISOU
123
O
GLU
A
18
2125
2463
2427
−108
−49
97
O

ATOM
124
N
LYS
A
19
28.214
6.359
−0.716
1.00
17.05

N

ANISOU
124
N
LYS
A
19
1994
2246
2240
−100
−69
72
N

ATOM
125
CA
LYS
A
19
28.458
6.397
0.725
1.00
15.43

C

ANISOU
125
CA
LYS
A
19
1797
2015
2050
−94
−106
22
C

ATOM
126
CB
LYS
A
19
27.375
7.192
1.448
1.00
16.61

C

ANISOU
126
CB
LYS
A
19
1972
2133
2206
−83
−134
−8
C

ATOM
127
CG
LYS
A
19
27.651
7.408
2.928
1.00
18.66

C

ANISOU
127
CG
LYS
A
19
2237
2372
2481
−67
−178
−62
C

ATOM
128
CD
LYS
A
19
26.716
8.469
3.476
1.00
25.64

C

ANISOU
128
CD
LYS
A
19
3139
3223
3381
−53
−211
−89
C

ATOM
129
CE
LYS
A
19
26.783
8.547
4.987
1.00
31.48

C

ANISOU
129
CE
LYS
A
19
3889
3957
4114
−21
−253
−150
C

ATOM
130
NZ
LYS
A
19
27.995
9.272
5.443
1.00
36.83

N

ANISOU
130
NZ
LYS
A
19
4538
4593
4861
−33
−298
−169
N

ATOM
131
C
LYS
A
19
28.567
4.992
1.320
1.00
15.16

C

ANISOU
131
C
LYS
A
19
1780
2015
1963
−74
−97
−9
C

ATOM
132
O
LYS
A
19
27.782
4.099
0.975
1.00
17.57

O

ANISOU
132
O
LYS
A
19
2109
2349
2219
−61
−75
−10
O

ATOM
133
N
VAL
A
20
29.571
4.818
2.179
1.00
14.82

N

ANISOU
133
N
VAL
A
20
1725
1967
1940
−73
−119
−32
N

ATOM
134
CA
VAL
A
20
29.740
3.623
3.005
1.00
15.67

C

ANISOU
134
CA
VAL
A
20
1848
2098
2006
−52
−119
−63
C

ATOM
135
CB
VAL
A
20
31.183
3.075
2.887
1.00
16.55

C

ANISOU
135
CB
VAL
A
20
1931
2226
2130
−57
−115
−56
C

ATOM
136
CG1
VAL
A
20
31.391
1.885
3.786
1.00
16.32

C

ANISOU
136
CG1
VAL
A
20
1919
2218
2063
−33
−119
−86
C

ATOM
137
CG2
VAL
A
20
31.483
2.698
1.450
1.00
21.13

C

ANISOU
137
CG2
VAL
A
20
2495
2835
2700
−65
−78
−13
C

ATOM
138
C
VAL
A
20
29.453
4.077
4.444
1.00
16.95

C

ANISOU
138
C
VAL
A
20
2024
2242
2173
−33
−158
−108
C

ATOM
139
O
VAL
A
20
30.007
5.081
4.904
1.00
18.76

O

ANISOU
139
O
VAL
A
20
2236
2440
2453
−40
−193
−124
O

ATOM
140
N
TYR
A
21
28.594
3.341
5.142
1.00
15.63

N

ANISOU
140
N
TYR
A
21
1885
2096
1956
−8
−154
−128
N

ATOM
141
CA
TYR
A
21
27.983
3.853
6.384
1.00
16.55

C

ANISOU
141
CA
TYR
A
21
2017
2208
2064
20
−185
−165
C

ATOM
142
CB
TYR
A
21
26.481
3.516
6.411
1.00
16.74

C

ANISOU
142
CB
TYR
A
21
2067
2252
2042
35
−166
−158
C

ATOM
143
CG
TYR
A
21
25.753
4.019
5.188
1.00
16.82

C

ANISOU
143
CG
TYR
A
21
2080
2249
2063
14
−147
−129
C

ATOM
144
CD1
TYR
A
21
25.669
3.235
4.031
1.00
15.29

C

ANISOU
144
CD1
TYR
A
21
1886
2070
1855
−4
−112
−96
C

ATOM
145
CE1
TYR
A
21
25.009
3.698
2.884
1.00
15.54

C

ANISOU
145
CE1
TYR
A
21
1918
2095
1891
−17
−95
−70
C

ATOM
146
CZ
TYR
A
21
24.452
4.971
2.894
1.00
17.01

C

ANISOU
146
CZ
TYR
A
21
2105
2257
2101
−18
−112
−72
C

ATOM
147
OH
TYR
A
21
23.810
5.443
1.782
1.00
18.34

O

ANISOU
147
OH
TYR
A
21
2274
2421
2272
−29
−96
−44
O

ATOM
148
CE2
TYR
A
21
24.529
5.770
4.027
1.00
16.70

C

ANISOU
148
CE2
TYR
A
21
2067
2196
2080
−2
−149
−107
C

ATOM
149
CD2
TYR
A
21
25.180
5.296
5.166
1.00
16.77

C

ANISOU
149
CD2
TYR
A
21
2076
2216
2082
15
−167
−137
C

ATOM
150
C
TYR
A
21
28.655
3.316
7.638
1.00
17.24

C

ANISOU
150
C
TYR
A
21
2103
2313
2135
46
−206
−198
C

ATOM
151
O
TYR
A
21
29.032
2.158
7.689
1.00
18.73

O

ANISOU
151
O
TYR
A
21
2294
2527
2297
50
−187
−187
O

ATOM
152
N
GLY
A
22
28.780
4.169
8.651
1.00
18.17

N

ANISOU
152
N
GLY
A
22
2218
2417
2268
69
−240
−230
N

ATOM
153
CA
GLY
A
22
29.347
3.783
9.934
1.00
18.63

C

ANISOU
153
CA
GLY
A
22
2275
2498
2305
104
−274
−275
C

ATOM
154
C
GLY
A
22
28.332
3.851
11.058
1.00
18.97

C

ANISOU
154
C
GLY
A
22
2338
2571
2298
154
−287
−302
C

ATOM
155
O
GLY
A
22
27.162
4.200
10.843
1.00
18.50

O

ANISOU
155
O
GLY
A
22
2294
2514
2222
159
−277
−293
O

ATOM
156
N
SER
A
23
28.786
3.515
12.259
1.00
19.56

N

ANISOU
156
N
SER
A
23
2411
2675
2344
194
−310
−334
N

ATOM
157
CA
SER
A
23
27.923
3.492
13.430
1.00
20.71

C

ANISOU
157
CA
SER
A
23
2572
2866
2432
252
−320
−356
C

ATOM
158
CB
SER
A
23
28.740
3.183
14.691
1.00
20.84

C

ANISOU
158
CB
SER
A
23
2581
2915
2424
298
−350
−392
C

ATOM
159
OG
SER
A
23
29.391
1.932
14.568
1.00
25.56

O

ANISOU
159
OG
SER
A
23
3174
3530
3008
284
−320
−359
O

ATOM
160
C
SER
A
23
27.166
4.979
13.610
1.00
20.80

C

ANISOU
160
C
SER
A
23
25.89
2859
2455
273
−353
−391
C

ATOM
161
O
SER
A
23
27.746
5.883
13.514
1.00
20.33

O

ANISOU
161
O
SER
A
23
2519
2753
2454
263
−397
−427
O

ATOM
162
N
GLY
A
24
25.865
4.669
13.855
1.00
20.34

N

ANISOU
162
N
GLY
A
24
2545
2837
2346
301
−332
−377
N

ATOM
163
CA
GLY
A
24
25.008
5.798
14.192
1.00
21.49

C

ANISOU
163
CA
GLY
A
24
2698
2981
2487
336
−362
−412
C

ATOM
164
C
GLY
A
24
24.622
6.688
13.034
1.00
22.79

C

ANISOU
164
C
GLY
A
24
2866
3087
2704
292
−351
−401
C

ATOM
165
O
GLY
A
24
23.904
7.673
13.229
1.00
24.17

O

ANISOU
165
O
GLY
A
24
3048
3253
2881
320
−388
−431
O

ATOM
166
N
GLU
A
25
25.086
6.346
11.833
1.00
20.69

N

ANISOU
166
N
GLU
A
25
2594
2789
2480
230
−332
−357
N

ATOM
167
CA
GLU
A
25
24.860
7.191
10.667
1.00
19.39

C

ANISOU
167
CA
GLU
A
25
2427
2572
2367
189
−330
−339
C

ATOM
168
CB
GLU
A
25
26.003
7.048
9.658
1.00
19.75

C

ANISOU
168
CB
GLU
A
25
2454
2582
2469
133
−318
−308
C

ATOM
169
CG
GLU
A
25
27.318
7.601
10.181
1.00
22.49

C

ANISOU
169
CG
GLU
A
25
2779
2896
2868
132
−366
−345
C

ATOM
170
CD
GLU
A
25
28.452
7.561
9.168
1.00
25.38

C

ANISOU
170
CD
GLU
A
25
3120
3231
3293
78
−354
−308
C

ATOM
171
OE1
GLU
A
25
28.364
6.817
8.175
1.00
27.73

O

ANISOU
171
OE1
GLU
A
25
3416
3545
3574
50
−304
−258
O

ATOM
172
OE2
GLU
A
25
29.450
8.285
9.384
1.00
38.20

O

ANISOU
172
OE2
GLU
A
25
4719
4816
4981
67
−397
−331
O

ATOM
173
C
GLU
A
25
23.513
6.922
10.018
1.00
19.25

C

ANISOU
173
C
GLU
A
25
2425
2576
2315
184
−289
−301
C

ATOM
174
O
GLU
A
25
22.993
5.806
10.072
1.00
20.29

O

ANISOU
174
O
GLU
A
25
2562
2751
2397
187
−251
−271
O

ATOM
175
N
LYS
A
26
22.851
7.970
9.422
1.00
20.46

N

ANISOU
175
N
LYS
A
26
2581
2693
2499
175
−301
−302
N

ATOM
176
CA
LYS
A
26
21.688
7.886
8.694
1.00
20.50

C

ANISOU
176
CA
LYS
A
26
2597
2712
2479
168
−267
−268
C

ATOM
177
CB
LYS
A
26
21.022
9.262
8.597
1.00
22.73

C

ANISOU
177
CB
LYS
A
26
2886
2962
2788
184
−298
−290
C

ATOM
178
CG
LYS
A
26
19.572
9.211
8.116
1.00
25.36

C

ANISOU
178
CG
LYS
A
26
3231
3321
3083
191
−268
−265
C

ATOM
179
CD
LYS
A
26
18.906
10.590
8.145
1.00
31.75

C

ANISOU
179
CD
LYS
A
26
4048
4100
3915
216
−304
−293
C

ATOM
180
CE
LYS
A
26
19.462
11.514
7.070
1.00
39.38

C

ANISOU
180
CE
LYS
A
26
5008
4006
4950
173
−318
−274
C

ATOM
181
NZ
LYS
A
26
18.856
12.876
7.140
1.00
45.68

N

ANISOU
181
NZ
LYS
A
26
5814
5755
5788
199
−359
−302
N

ATOM
182
C
LYS
A
26
21.889
7.315
7.291
1.00
19.81

C

ANISOU
182
C
LYS
A
26
2504
2613
2409
115
−225
−215
C

ATOM
183
O
LYS
A
26
22.774
7.748
6.554
1.00
19.96

O

ANISOU
183
O
LYS
A
26
2510
2593
2480
81
−231
−202
O

ATOM
184
N
VAL
A
27
21.062
6.334
6.945
1.00
17.26

N

ANISOU
184
N
VAL
A
27
2189
2327
2042
111
−186
−184
N

ATOM
185
CA
VAL
A
27
21.003
5.806
5.578
1.00
16.15

C

ANISOU
185
CA
VAL
A
27
2046
2182
1909
72
−151
−141
C

ATOM
186
CB
VAL
A
27
20.875
4.277
5.558
1.00
15.51

C

ANISOU
186
CB
VAL
A
27
1966
2135
1791
67
−121
−120
C

ATOM
187
CG1
VAL
A
27
20.752
3.784
4.122
1.00
14.92

C

ANISOU
187
CG1
VAL
A
27
1890
2058
1722
37
−93
−87
C

ATOM
188
CG2
VAL
A
27
22.054
3.618
6.280
1.00
15.97

C

ANISOU
188
CG2
VAL
A
27
2017
2199
1850
72
−129
−133
C

ATOM
189
C
VAL
A
27
19.741
6.400
4.998
1.00
18.14

C

ANISOU
189
C
VAL
A
27
2306
2434
2153
76
−143
−129
C

ATOM
190
O
VAL
A
27
18.655
6.146
5.518
1.00
18.55

O

ANISOU
190
O
VAL
A
27
2366
2518
2165
101
−137
−132
O

ATOM
191
N
ALA
A
28
19.895
7.242
3.971
1.00
17.60

N

ANISOU
191
N
ALA
A
28
2233
2331
2122
53
−145
−113
N

ATOM
192
CA
ALA
A
28
18.772
7.950
3.336
1.00
18.03

C

ANISOU
192
CA
ALA
A
28
2296
2382
2174
58
−141
−101
C

ATOM
193
CB
ALA
A
28
18.868
9.457
3.608
1.00
20.95

C

ANISOU
193
CB
ALA
A
28
2667
2708
2590
69
−180
−122
C

ATOM
194
C
ALA
A
28
18.701
7.665
1.878
1.00
16.11

C

ANISOU
194
C
ALA
A
28
2047
2140
1933
29
−110
−59
C

ATOM
195
O
ALA
A
28
19.723
7.548
1.202
1.00
16.68

O

ANISOU
195
O
ALA
A
28
2106
2200
2030
6
−101
−39
O

ATOM
196
N
GLY
A
29
17.484
7.576
1.366
1.00
14.36

N

ANISOU
196
N
GLY
A
29
1833
1939
1684
36
−94
−47
N

ATOM
197
CA
GLY
A
29
17.305
7.280
−0.039
1.00
13.80

C

ANISOU
197
CA
GLY
A
29
1759
1878
1607
18
−68
−13
C

ATOM
198
C
GLY
A
29
15.873
7.430
−0.465
1.00
14.37

C

ANISOU
198
C
GLY
A
29
1838
1968
1652
30
−60
−6
C

ATOM
199
O
GLY
A
29
15.046
7.995
0.253
1.00
15.17

O

ANISOU
199
O
GLY
A
29
1948
2071
1746
52
−75
−24
O

ATOM
200
N
ARG
A
30
15.592
6.914
−1.657
1.00
13.36

N

ANISOU
200
N
ARG
A
30
1707
1859
1509
20
−39
17
N

ATOM
201
CA
ARG
A
30
14.239
6.881
−2.195
1.00
12.14

C

ANISOU
201
CA
ARG
A
30
1557
1727
1328
31
−31
23
C

ATOM
202
CB
ARG
A
30
14.044
7.987
−3.234
1.00
14.21

C

ANISOU
202
CB
ARG
A
30
1819
1977
1604
33
−29
48
C

ATOM
203
CG
ARG
A
30
14.022
9.402
−2.600
1.00
17.51

C

ANISOU
203
CG
ARG
A
30
2240
2357
2056
42
−52
43
C

ATOM
204
CD
ARG
A
30
14.314
10.388
−3.820
1.00
24.84

C

ANISOU
204
CD
ARG
A
30
3162
3265
3010
37
−47
81
C

ATOM
205
NE
ARG
A
30
15.592
10.172
−4.503
1.00
22.60

O

ANISOU
205
NE
ARG
A
30
2862
2979
2746
18
−33
111
N

ATOM
206
CZ
ARG
A
30
15.935
10.748
−5.650
1.00
30.94

C

ANISOU
206
CZ
ARG
A
30
3905
4034
3818
11
−19
157
C

ATOM
207
NH1
ARG
A
30
15.096
11.584
−6.256
1.00
29.63

N

ANISOU
207
NH1
ARG
A
30
3743
3865
3652
24
−20
179
N

ATOM
208
NH2
ARG
A
30
17.117
10.492
−6.194
1.00
31.03

N

ANISOU
208
NH2
ARG
A
30
3890
4052
3842
−4
−4
187
N

ATOM
209
C
ARG
A
30
13.958
5.537
−2.841
1.00
12.39

C

ANISOU
209
C
ARG
A
30
1586
1789
1335
23
−16
27
C

ATOM
210
O
ARG
A
30
14.861
4.919
−3.435
1.00
13.49

O

ANISOU
210
O
ARG
A
30
1720
1930
1476
13
−7
33
O

ATOM
211
N
VAL
A
31
12.707
5.086
−2.738
1.00
11.59

N

ANISOU
211
N
VAL
A
31
1484
1708
1210
30
−15
22
N

ATOM
212
CA
VAL
A
31
12.228
3.991
−3.580
1.00
12.02

C

ANISOU
212
CA
VAL
A
31
1534
1784
1250
25
−10
24
C

ATOM
213
CB
VAL
A
31
11.262
3.037
−2.827
1.00
11.50

C

ANISOU
213
CB
VAL
A
31
1461
1732
1175
23
−14
18
C

ATOM
214
CG1
VAL
A
31
10.746
1.950
−3.763
1.00
12.61

C

ANISOU
214
CG1
VAL
A
31
1594
1885
1312
15
−18
16
C

ATOM
215
CG2
VAL
A
31
11.915
2.414
−1.598
1.00
13.19

C

ANISOU
215
CG2
VAL
A
31
1675
1940
1398
18
−16
13
C

ATOM
216
C
VAL
A
31
11.518
4.668
−4.757
1.00
12.39

C

ANISOU
216
C
VAL
A
31
1581
1843
1285
35
−6
35
C

ATOM
217
O
VAL
A
31
10.668
5.530
−4.557
1.00
13.55

O

ANISOU
217
O
VAL
A
31
1730
1990
1428
47
−9
39
O

ATOM
218
N
ILE
A
32
11.891
4.309
−5.980
1.00
11.21

N

ANISOU
218
N
ILE
A
32
1428
1706
1125
37
1
41
N

ATOM
219
CA
ILE
A
32
11.331
4.971
−7.155
1.00
14.31

C

ANISOU
219
CA
ILE
A
32
1819
2116
1502
52
5
56
C

ATOM
220
CB
ILE
A
32
12.439
5.711
−7.957
1.00
16.08

C

ANISOU
220
CB
ILE
A
32
2039
2339
1732
56
19
84
O

ATOM
221
CG1
ILE
A
32
13.125
6.750
−7.054
1.00
19.72

C

ANISOU
221
CG1
ILE
A
32
2502
2761
2229
45
16
96
C

ATOM
222
CD1
ILE
A
32
14.373
7.370
−7.629
1.00
21.80

C

ANISOU
222
CD1
ILE
A
32
2755
3016
2513
40
28
130
C

ATOM
223
CG2
ILE
A
32
11.877
6.365
−9.220
1.00
15.53

C

ANISOU
223
CG2
ILE
A
32
1956
2293
1641
77
27
107
C

ATOM
224
C
ILE
A
32
10.598
3.951
−8.019
1.00
14.68

C

ANISOU
224
C
ILE
A
32
1860
2191
1525
60
−1
40
C

ATOM
225
O
ILE
A
32
11.124
2.870
−8.322
1.00
14.11

O

ANISOU
225
O
ILE
A
32
1786
2125
1450
58
−6
24
O

ATOM
226
N
VAL
A
33
9.372
4.300
−8.382
1.00
13.68

N

ANISOU
226
N
VAL
A
33
1731
2080
1385
72
−6
41
N

ATOM
227
CA
VAL
A
33
8.534
3.483
−9.259
1.00
12.83

C

ANISOU
227
CA
VAL
A
33
1616
1998
1260
82
−20
23
C

ATOM
228
CB
VAL
A
33
7.229
3.007
−8.528
1.00
14.16

C

ANISOU
228
CB
VAL
A
33
1776
2157
1439
71
−34
11
C

ATOM
229
CG1
VAL
A
33
6.529
1.919
−9.310
1.00
16.20

C

ANISOU
229
CG1
VAL
A
33
2021
2440
1693
74
−57
−13
C

ATOM
230
CG2
VAL
A
33
7.524
2.526
−7.103
1.00
14.25

C

ANISOU
230
CG2
VAL
A
33
1785
2155
1474
49
−34
12
C

ATOM
231
C
VAL
A
33
8.175
1.275
−10.530
1.00
13.85

C

ANISOU
231
C
VAL
A
33
1745
2158
1361
110
−14
37
C

ATOM
232
O
VAL
A
33
7.858
5.472
−10.474
1.00
14.97

O

ANISOU
232
O
VAL
A
33
1890
2294
1503
117
−5
60
O

ATOM
233
N
GLU
A
34
8.259
3.602
−11.674
1.00
13.50

N

ANISOU
233
N
GLU
A
34
1596
2142
1293
130
−21
21
N

ATOM
234
CA
GLU
A
34
7.754
4.125
−12.941
1.00
15.44

C

ANISOU
234
CA
GLU
A
34
1038
2427
1504
163
−20
30
C

ATOM
235
CB
GLU
A
34
8.888
4.463
−13.919
1.00
15.98

C

ANISOU
235
CB
GLU
A
34
2004
2522
1547
188
0
55
C

ATOM
236
CG
GLU
A
34
9.868
5.497
−13.404
1.00
21.82

C

ANISOU
236
CG
GLU
A
34
2745
3235
2310
172
25
100
C

ATOM
237
CD
GLU
A
34
11.003
5.766
−14.369
1.00
27.54

C

ANISOU
237
CD
GLU
A
34
3458
3991
3013
194
47
135
C

ATOM
238
OE1
GLU
A
34
11.362
4.866
−15.157
1.00
36.78

O

ANISOU
238
OE1
GLU
A
34
4623
5201
4150
220
43
113
O

ATOM
239
OE2
GLU
A
34
11.549
6.887
−14.335
1.00
36.57

O

ANISOU
239
OE2
GLU
A
34
4598
5121
4176
188
67
185
O

ATOM
240
C
GLU
A
34
6.866
8.059
18.545
1.00
15.07

C

ANISOU
240
C
GLU
A
34
1882
2401
1443
175
−50
−12
C

ATOM
241
O
GLU
A
34
7.128
1.867
−13.398
1.00
15.56

O

ANISOU
241
O
GLU
A
34
1941
2452
1518
167
−69
−44
O

ATOM
242
N
VAL
A
35
5.806
3.491
−14.221
1.00
15.29

N

ANISOU
242
N
VAL
A
35
1904
2458
1449
198
−57
−12
N

ATOM
243
CA
VAL
A
35
4.871
2.565
−14.849
1.00
15.32

C

ANISOU
243
CA
VAL
A
35
1896
2480
1444
212
−92
−55
C

ATOM
244
CB
VAL
A
35
3.492
2.586
−14.145
1.00
14.95

C

ANISOU
244
CB
VAL
A
35
1838
2419
1423
190
−107
−59
C

ATOM
245
CG1
VAL
A
35
3.653
2.244
−12.681
1.00
16.79

C

ANISOU
245
CG1
VAL
A
35
2072
2610
1699
148
−102
−50
C

ATOM
246
CG2
VAL
A
35
2.809
3.951
−14.304
1.00
15.26

C

ANISOU
246
CG2
VAL
A
35
1881
2477
1443
207
−89
−27
C

ATOM
247
C
VAL
A
35
4.677
2.850
−16.342
1.00
16.79

C

ANISOU
247
C
VAL
A
35
2080
2721
1579
264
−97
−60
C

ATOM
248
O
VAL
A
35
4.874
3.975
−16.795
1.00
18.44

O

ANISOU
248
O
VAL
A
35
2292
2952
1762
285
−70
−19
O

ATOM
249
N
CYS
A
36
4.265
1.834
−17.090
1.00
18.97

N

ANISOU
249
N
CYS
A
36
2346
3018
1843
286
−134
−110
N

ATOM
250
CA
CYS
A
36
3.977
1.989
−18.524
1.00
20.27

C

ANISOU
250
CA
CYS
A
36
2506
3244
1058
344
−145
−125
C

ATOM
251
CB
CYS
A
36
4.425
0.761
−19.299
1.00
21.39

C

ANISOU
251
CB
CYS
A
36
2644
3407
2077
377
−181
−182
C

ATOM
252
SG
CYS
A
36
6.173
0.604
−19.445
1.00
31.26

S

ANISOU
252
SG
CYS
A
36
3903
4670
3306
393
−152
−166
S

ATOM
253
C
CYS
A
36
2.503
2.214
−10.804
1.00
20.81

C

ANISOU
253
C
CYS
A
36
2562
3327
2017
353
−169
−138
C

ATOM
254
O
CYS
A
36
2.127
2.566
−19.919
1.00
22.36

O

ANISOU
254
O
CYS
A
36
2754
3576
2165
403
−175
−143
O

ATOM
255
N
GLU
A
37
1.669
1.966
−17.802
1.00
20.88

N

ANISOU
255
N
GLU
A
37
2563
3295
2076
308
−182
−143
N

ATOM
256
CA
GLU
A
37
0.240
2.195
−17.912
1.00
21.55

C

ANISOU
256
CA
GLU
A
37
2632
3392
2164
310
−202
−151
C

ATOM
257
CB
GLU
A
37
−0.451
1.023
−18.592
1.00
23.34

C

ANISOU
257
CB
GLU
A
37
2838
3629
2399
325
−259
−214
C

ATOM
258
CG
GLU
A
37
−0.246
−0.296
−17.888
1.00
24.03

C

ANISOU
258
CG
GLU
A
37
2918
3666
2547
284
−290
−245
C

ATOM
259
CD
GLU
A
37
−0.582
−1.474
−18.768
1.00
29.01

C

ANISOU
259
CD
GLU
A
37
3533
4302
3186
308
−353
−314
C

ATOM
260
OE1
GLU
A
37
−0.715
−1.272
−19.989
1.00
29.26

O

ANISOU
260
OE1
GLU
A
37
3566
4386
3164
366
−369
−343
O

ATOM
261
OE2
GLU
A
37
−0.703
−2.601
−18.243
1.00
37.10

O

ANISOU
261
OE2
GLU
A
37
4545
5278
4273
272
−390
−341
O

ATOM
262
C
GLU
A
37
−0.366
2.430
−16.538
1.00
20.31

C

ANISOU
262
C
GLU
A
37
2468
3196
2054
261
−191
−126
C

ATOM
263
O
GLU
A
37
0.238
2.079
−15.504
1.00
20.08

O

ANISOU
263
O
GLU
A
37
2443
3125
2059
228
179
114
O

ATOM
264
N
VAL
A
38
−1.553
3.033
−16.534
1.00
19.82

N

ANISOU
264
N
VAL
A
38
2393
3151
1989
266
−194
−116
N

ATOM
265
CA
VAL
A
38
−2.265
3.346
−15.288
1.00
20.63

C

ANISOU
265
CA
VAL
A
38
2485
3231
2124
231
−182
−90
C

ATOM
266
CB
VAL
A
38
−3.651
3.969
−15.545
1.00
22.32

C

ANISOU
266
CB
VAL
A
38
2681
3476
2324
250
−191
−86
C

ATOM
267
CG1
VAL
A
38
−4.324
4.324
−14.223
1.00
22.86

C

ANISOU
267
CG1
VAL
A
38
2736
3530
2420
222
−176
−58
C

ATOM
268
CG2
VAL
A
38
−3.534
5.196
−16.419
1.00
25.81

C

ANISOU
268
CG2
VAL
A
38
3141
3950
2714
295
−171
−65
C

ATOM
269
C
VAL
A
38
−2.437
2.102
−14.421
1.00
20.70

O

ANISOU
269
C
VAL
A
38
2473
3205
2187
187
−204
−105
C

ATOM
270
O
VAL
A
38
−2.915
1.067
−14.891
1.00
21.47

O

ANISOU
270
O
VAL
A
38
2549
3301
2307
183
−246
−141
O

ATOM
271
N
THR
A
39
−2.030
2.211
−13.157
1.00
18.40

N

ANISOU
271
N
THR
A
39
2186
2885
1920
156
−179
−76
N

ATOM
272
CA
THR
A
39
−2.146
1.100
−12.216
1.00
20.28

C

ANISOU
272
CA
THR
A
39
2403
3092
2210
114
−193
−76
C

ATOM
273
CB
THR
A
39
−0.927
0.127
−12.321
1.00
20.75

C

ANISOU
273
CB
THR
A
39
2477
3120
2286
103
−204
−97
C

ATOM
274
OG1
THR
A
39
−1.137
−1.020
−11.489
1.00
21.77

O

ANISOU
274
OG1
THR
A
39
2584
3217
2472
63
−223
−94
O

ATOM
275
CG2
THR
A
39
0.362
0.811
−11.933
1.00
20.26

C

ANISOU
275
CG2
THR
A
39
2447
3049
2202
108
−166
−77
C

ATOM
276
C
THR
A
39
−2.348
1.625
−10.795
1.00
20.28

C

ANISOU
276
C
THR
A
39
2399
3087
2221
95
−163
−35
C

ATOM
277
O
THR
A
39
−1.807
2.672
−10.429
1.00
19.73

O

ANISOU
277
O
THR
A
39
2354
3019
2126
109
−132
−16
O

ATOM
278
N
ARG
A
40
−3.156
0.900
−10.024
1.00
20.84

N

ANISOU
278
N
ARG
A
40
2435
3154
2331
67
−175
−21
N

ATOM
279
CA
ARG
A
40
−3.516
1.274
−8.659
1.00
21.54

C

ANISOU
279
CA
ARG
A
40
2509
3250
2424
56
−148
19
C

ATOM
280
CB
ARG
A
40
−4.959
0.840
−8.396
1.00
23.54

C

ANISOU
280
CB
ARG
A
40
2713
3527
2705
42
−164
36
C

ATOM
281
CG
ARG
A
40
−5.602
1.384
−7.145
1.00
29.94

C

ANISOU
281
CG
ARG
A
40
3501
4368
3506
46
−136
78
C

ATOM
282
CD
ARG
A
40
−7.110
1.297
−7.328
1.00
37.27

C

ANISOU
282
CD
ARG
A
40
4382
5332
4447
45
−151
81
C

ATOM
283
NE
ARG
A
40
−7.859
2.071
−6.339
1.00
45.67

N

ANISOU
283
NE
ARG
A
40
5426
6442
5485
66
−123
126
N

ATOM
284
CZ
ARG
A
40
−8.565
1.538
−5.350
1.00
47.84

C

ANISOU
284
CZ
ARG
A
40
5652
6742
5785
48
−115
171
C

ATOM
285
NH1
ARG
A
40
−8.630
0.218
−5.204
1.00
48.90

N

ANISOU
285
NH1
ARG
A
40
5750
6850
5978
4
−135
190
N

ATOM
286
NH2
ARG
A
40
−9.209
2.327
−4.501
1.00
49.03

N

ANISOU
286
NH2
ARG
A
40
5786
6944
5901
79
−89
199
N

ATOM
287
C
ARG
A
40
−2.573
0.593
−7.679
1.00
20.39

C

ANISOU
287
C
ARG
A
40
2370
3074
2304
30
−137
33
C

ATOM
288
O
ARG
A
40
−2.427
−0.635
−7.693
1.00
21.55

O

ANISOU
288
O
ARG
A
40
2500
3194
2493
2
−161
27
O

ATOM
289
N
VAL
A
41
−1.937
1.398
−6.831
1.00
17.85

N

ANISOU
289
N
VAL
A
41
2070
2754
1958
42
−106
49
N

ATOM
290
CA
VAL
A
41
−0.955
0.901
−5.862
1.00
18.60

C

ANISOU
290
CA
VAL
A
41
2174
2825
2069
24
−94
62
C

ATOM
291
CB
VAL
A
41
0.416
1.590
−6.042
1.00
17.64

C

ANISOU
291
CB
VAL
A
41
2095
2683
1923
39
−79
46
C

ATOM
292
CG1
VAL
A
41
1.385
1.162
−4.927
1.00
17.64

C

ANISOU
292
CG1
VAL
A
41
2103
3663
1037
25
−67
58
C

ATOM
293
CG2
VAL
A
41
0.998
1.236
−7.408
1.00
19.23

C

ANISOU
293
CG2
VAL
A
41
2312
2870
2123
42
−96
16
C

ATOM
294
C
VAL
A
41
−1.470
1.072
−4.430
1.00
18.11

C

ANISOU
294
C
VAL
A
41
2090
2787
2005
25
−74
99
C

ATOM
295
O
VAL
A
41
−1.847
2.183
−4.020
1.00
19.82

O

ANISOU
295
O
VAL
A
41
2312
3032
2188
55
−57
106
O

ATOM
296
N
LYS
A
42
−1.489
−0.034
−3.685
1.00
17.92

N

ANISOU
296
N
LYS
A
42
2039
2755
2016
−2
−77
125
N

ATOM
297
CA
LYS
A
42
−1.914
−0.044
−2.279
1.00
20.08

C

ANISOU
297
CA
LYS
A
42
2286
3060
2285
2
−55
169
C

ATOM
298
CB
LYS
A
42
−2.276
−1.470
−1.859
1.00
20.84

C

ANISOU
298
CB
LYS
A
42
2338
3145
2434
−36
−67
208
C

ATOM
299
CG
LYS
A
42
−2.638
−1.669
−0.386
1.00
27.16

C

ANISOU
299
CG
LYS
A
42
3104
3984
3231
−32
−42
264
C

ATOM
300
CD
LYS
A
42
−3.487
−2.923
−0.199
1.00
37.50

C

ANISOU
300
CD
LYS
A
42
4356
5292
4602
−71
−56
314
C

ATOM
301
CE
LYS
A
42
−2.856
−4.169
−0.827
1.00
35.12

C

ANISOU
301
CE
LYS
A
42
4060
4923
4363
−112
−90
298
C

ATOM
302
NZ
LYS
A
42
−3.770
−5.353
−0.712
1.00
41.42

N

ANISOU
302
NZ
LYS
A
42
4801
5712
5238
−153
−112
347
N

ATOM
303
C
LYS
A
42
−0.866
0.539
−1.335
1.00
19.59

C

ANISOU
303
C
LYS
A
42
2253
2998
2193
23
−33
167
C

ATOM
304
O
LYS
A
42
−1.191
1.367
−0.470
1.00
20.27

O

ANISOU
304
O
LYS
A
42
2335
3121
2244
55
−15
179
O

ATOM
305
N
ALA
A
43
0.382
0.095
−1.495
1.00
16.37

N

ANISOU
305
N
ALA
A
43
1873
2548
1798
8
−38
149
N

ATOM
306
CA
ALA
A
43
1.459
0.478
−0.592
1.00
16.89

C

ANISOU
306
CA
ALA
A
43
1964
2609
1845
24
−22
146
C

ATOM
307
CB
ALA
A
43
1.371
−0.320
0.723
1.00
17.19

C

ANISOU
307
CB
ALA
A
43
1973
2667
1893
18
−11
188
C

ATOM
308
C
ALA
A
43
2.819
0.267
−1.231
1.00
15.23

C

ANISOU
308
C
ALA
A
43
1788
2354
1646
11
−30
115
C

ATOM
309
O
ALA
A
43
2.976
−0.582
−2.116
1.00
15.69

O

ANISOU
309
O
ALA
A
43
1845
2386
1732
−11
−48
103
O

ATOM
310
N
VAL
A
44
3.783
1.074
−0.796
1.00
14.55

N

ANISOU
310
N
VAL
A
44
1729
2261
1538
30
−20
100
N

ATOM
311
CA
VAL
A
44
5.196
0.780
−1.010
1.00
13.74

C

ANISOU
311
CA
VAL
A
44
1651
2123
1446
19
−23
82
C

ATOM
312
CB
VAL
A
44
5.924
1.860
−1.849
1.00
15.01

C

ANISOU
312
CB
VAL
A
44
1842
2267
1595
32
−23
56
C

ATOM
313
CG1
VAL
A
44
7.426
1.583
−1.885
1.00
14.01

C

ANISOU
313
CG1
VAL
A
44
1733
2111
1478
22
−22
44
C

ATOM
314
CG2
VAL
A
44
5.380
1.887
−3.276
1.00
16.11

C

ANISOU
314
CG2
VAL
A
44
1980
2407
1734
29
−32
47
C

ATOM
315
C
VAL
A
44
5.807
0.643
0.385
1.00
15.82

C

ANISOU
315
C
VAL
A
44
1914
2393
1704
27
−13
94
C

ATOM
316
O
VAL
A
44
5.711
1.551
1.216
1.00
16.63

O

ANISOU
316
O
VAL
A
44
2020
2517
1781
56
−6
93
O

ATOM
317
N
ARG
A
45
6.382
−0.522
0.054
1.00
14.09

N

ANISOU
317
N
ARG
A
45
1689
2156
1508
7
−16
105
N

ATOM
318
CA
ARG
A
45
6.952
−0.798
1.967
1.00
17.12

C

ANISOU
318
CA
ARG
A
45
2071
2550
1886
16
−8
120
C

ATOM
319
CB
ARG
A
45
6.310
−2.044
2.572
1.00
17.95

C

ANISOU
319
CB
ARG
A
45
2142
2667
2013
−1
−6
165
C

ATOM
320
CG
ARG
A
45
4.830
−1.900
2.895
1.00
20.65

C

ANISOU
320
CG
ARG
A
45
2448
3051
2346
7
2
199
C

ATOM
321
CD
ARG
A
45
4.261
−3.212
3.450
1.00
23.91

C

ANISOU
321
CD
ARG
A
45
2821
3470
2793
−16
3
254
C

ATOM
322
NE
ARG
A
45
4.127
−4.234
2.409
1.00
27.68

N

ANISOU
322
NE
ARG
A
45
3292
3901
3325
−56
−22
250
N

ATOM
323
CZ
ARG
A
45
4.865
−5.340
2.313
1.00
31.32

C

ANISOU
323
CZ
ARG
A
45
3756
4318
3825
−80
−37
251
C

ATOM
324
NH1
ARG
A
45
5.801
−5.611
3.215
1.00
31.25

N

ANISOU
324
NH1
ARG
A
45
3758
4309
3808
−71
−27
264
N

ATOM
325
NH2
ARG
A
45
4.651
−6.188
1.311
1.00
29.35

N

ANISOU
325
NH2
ARG
A
45
3501
4027
3625
−109
−67
238
N

ATOM
326
C
ARG
A
45
8.447
−1.024
1.856
1.00
16.66

C

ANISOU
326
C
ARG
A
45
2035
2457
1836
9
−12
98
C

ATOM
327
O
ARG
A
45
8.946
−1.441
0.794
1.00
15.96

O

ANISOU
327
O
ARG
A
45
1958
2340
1766
−9
−22
80
O

ATOM
328
N
ILE
A
46
9.166
−0.757
2.947
1.00
15.77

N

ANISOU
328
N
ILE
A
46
1930
2355
1708
28
−6
97
N

ATOM
329
CA
ILE
A
46
10.564
−1.193
3.023
1.00
16.67

C

ANISOU
329
CA
ILE
A
46
2060
2442
1834
20
−10
82
C

ATOM
330
CB
ILE
A
46
11.602
−0.038
2.977
1.00
18.95

C

ANISOU
330
CB
ILE
A
46
2371
2717
2113
35
−14
49
C

ATOM
331
CG1
ILE
A
46
11.422
0.930
4.145
1.00
20.55

C

ANISOU
331
CG1
ILE
A
46
2574
2947
2289
70
−14
42
C

ATOM
332
CD1
ILE
A
46
12.707
1.674
4.476
1.00
23.82

C

ANISOU
332
CD1
ILE
A
46
3004
3340
2706
82
−26
11
C

ATOM
333
CG2
ILE
A
46
11.606
0.659
1.595
1.00
20.98

C

ANISOU
333
CG2
ILE
A
46
2640
2955
2377
25
−17
32
C

ATOM
334
C
ILE
A
46
10.888
−2.110
4.189
1.00
15.64

C

ANISOU
334
C
ILE
A
46
1917
2322
1705
24
−6
108
C

ATOM
335
O
ILE
A
46
10.218
−2.106
5.239
1.00
15.32

O

ANISOU
335
O
ILE
A
46
1857
2319
1643
44
3
136
O

ATOM
336
N
LEU
A
47
11.927
−2.906
3.975
1.00
14.03

N

ANISOU
336
N
LEU
A
47
1722
2089
1522
9
−18
100
N

ATOM
337
CA
LEU
A
47
12.535
−3.715
5.027
1.00
14.39

C

ANISOU
337
CA
LEU
A
47
1761
2139
1569
14
−11
120
C

ATOM
338
CB
LEU
A
47
12.152
−5.190
4.871
1.00
16.84

C

ANISOU
338
CB
LEU
A
47
2053
2429
1915
−11
−17
154
C

ATOM
339
CG
LEU
A
47
12.837
−6.208
5.795
1.00
20.80

C

ANISOU
339
CG
LEU
A
47
2549
2926
2428
−9
−17
180
C

ATOM
340
CD1
LEU
A
47
12.486
−5.970
7.271
1.00
20.60

C

ANISOU
340
CD1
LEU
A
47
2505
2953
2368
22
1
218
C

ATOM
341
CD2
LEU
A
47
12.505
−7.642
5.383
1.00
22.84

C

ANISOU
341
CD2
LEU
A
47
2792
3148
2739
−39
−32
208
C

ATOM
342
C
LEU
A
47
14.086
−3.532
4.893
1.00
13.22

C

ANISOU
342
C
LEU
A
47
1634
1967
1421
17
−17
86
C

ATOM
343
O
LEU
A
47
14.611
−3.869
3.856
1.00
14.18

O

ANISOU
343
O
LEU
A
47
1767
2058
1563
−1
−25
67
O

ATOM
344
N
ALA
A
48
14.656
−2.956
5.917
1.00
12.50

N

ANISOU
344
N
ALA
A
48
1548
1895
1307
44
−16
76
N

ATOM
345
CA
ALA
A
48
16.104
−2.740
5.919
1.00
13.71

C

ANISOU
345
CA
ALA
A
48
1716
2029
1464
46
−24
46
C

ATOM
346
CB
ALA
A
48
10.431
−1.278
0.178
1.00
15.24

C

ANISOU
346
CB
ALA
A
48
1919
2229
1643
67
−31
14
C

ATOM
347
C
ALA
A
48
16.705
−3.614
6.997
1.00
15.67

C

ANISOU
347
C
ALA
A
48
1959
2289
1708
59
−24
62
C

ATOM
348
O
ALA
A
48
16.264
−3.576
8.141
1.00
17.60

O

ANISOU
348
O
ALA
A
48
2191
2569
1925
86
−18
82
O

ATOM
349
N
CYS
A
49
17.691
−4.424
6.632
1.00
15.97

N

ANISOU
349
N
CYS
A
49
2002
2299
1766
45
−29
56
N

ATOM
350
CA
CYS
A
49
18.227
−5.403
7.563
1.00
15.94

C

ANISOU
350
CA
CYS
A
49
1993
2302
1762
56
−30
77
C

ATOM
351
CB
CYS
A
49
17.725
−6.797
7.222
1.00
19.04

C

ANISOU
351
CB
CYS
A
49
2376
2674
2186
33
−31
112
C

ATOM
352
SG
CYS
A
49
15.994
−7.048
7.610
1.00
25.28

S

ANISOU
352
SG
CYS
A
49
3141
3487
2976
29
−20
165
S

ATOM
353
C
CYS
A
49
19.732
−5.445
7.566
1.00
15.70

C

ANISOU
353
C
CYS
A
49
1973
2257
1736
60
−39
47
C

ATOM
354
O
CYS
A
49
20.371
−5.164
6.552
1.00
15.85

O

ANISOU
354
O
CYS
A
49
2000
2252
1770
45
−43
20
O

ATOM
355
N
GLY
A
50
20.285
−5.781
8.727
1.00
16.80

N

ANISOU
355
N
GLY
A
50
2108
2416
1860
84
−41
56
N

ATOM
356
CA
GLY
A
50
21.690
−8.140
8.831
1.00
15.88

C

ANISOU
356
CA
GLY
A
50
1997
2286
1750
89
−50
36
C

ATOM
357
C
GLY
A
50
21.697
−7.552
9.383
1.00
18.14

C

ANISOU
357
C
GLY
A
50
2277
2571
2044
92
−48
75
C

ATOM
358
O
GLY
A
50
21.348
−7.751
10.548
1.00
19.43

O

ANISOU
358
O
GLY
A
50
2430
2768
2185
117
−42
106
O

ATOM
359
N
VAL
A
51
22.058
−8.519
8.535
1.00
19.29

N

ANISOU
359
N
VAL
A
51
2427
2678
2222
71
−55
75
N

ATOM
360
CA
VAL
A
51
21.939
−9.949
8.857
1.00
21.80

C

ANISOU
360
CA
VAL
A
51
2740
2980
2564
69
−59
114
C

ATOM
361
CB
VAL
A
51
21.202
−10.753
7.732
1.00
20.79

C

ANISOU
361
CB
VAL
A
51
2611
2809
2478
38
−69
123
C

ATOM
362
CG1
VAL
A
51
21.109
−12.246
8.083
1.00
29.15

C

ANISOU
362
CG1
VAL
A
51
3662
3838
3574
34
−81
164
C

ATOM
363
CG2
VAL
A
51
19.811
−10.156
7.468
1.00
26.42

C

ANISOU
363
CG2
VAL
A
51
3315
3534
3189
24
−60
138
C

ATOM
364
C
VAL
A
51
23.316
−10.550
9.103
1.00
21.95

C

ANISOU
364
C
VAL
A
51
2765
2988
2586
83
−69
99
C

ATOM
365
O
VAL
A
51
24.227
−10.375
8.308
1.00
21.83

O

ANISOU
365
O
VAL
A
51
2759
2958
2577
79
−76
59
O

ATOM
366
N
ALA
A
52
23.458
−11.268
10.212
1.00
23.66

N

ANISOU
366
N
ALA
A
52
2974
3219
2797
103
−68
136
N

ATOM
367
CA
ALA
A
52
24.714
−11.946
10.520
1.00
24.66

C

ANISOU
367
CA
ALA
A
52
3106
3337
2927
119
−78
126
C

ATOM
368
CB
ALA
A
52
24.745
−12.362
11.976
1.00
26.49

C

ANISOU
368
CB
ALA
A
52
3327
3603
3137
150
−72
171
C

ATOM
369
C
ALA
A
52
24.896
−13.150
9.622
1.00
25.64

C

ANISOU
369
C
ALA
A
52
3237
3408
3098
101
−95
127
C

ATOM
370
O
ALA
A
52
23.997
−13.992
9.518
1.00
25.92

O

ANISOU
370
O
ALA
A
52
3265
3415
3167
85
−100
25.92
O

ATOM
371
N
LYS
A
53
26.057
−13.240
8.971
1.00
25.49

N

ANISOU
371
N
LYS
A
53
3228
3375
3082
107
−106
82
N

ATOM
372
CA
LYS
A
53
26.426
−14.384
8.137
1.00
25.85

C

ANISOU
372
CA
LYS
A
53
3282
3375
3165
102
−127
70
C

ATOM
373
CB
LYS
A
53
27.401
−13.960
7.037
1.00
25.00

C

ANISOU
373
CB
LYS
A
53
3181
3269
3047
107
−131
13
C

ATOM
374
CG
LYS
A
53
26.905
−12.862
6.099
1.00
28.93

C

ANISOU
374
CG
LYS
A
53
3679
3780
3533
89
−119
−10
C

ATOM
375
CD
LYS
A
53
28.036
−12.357
5.205
1.00
31.42

C

ANISOU
375
CD
LYS
A
53
3993
4110
3834
98
−117
−52
C

ATOM
376
CE
LYS
A
53
28.637
−13.342
4.088
1.00
35.41

C

ANISOU
376
CE
LYS
A
53
4505
4592
4357
109
−136
−78
C

ATOM
377
NZ
LYS
A
53
27.382
−13.277
2.967
1.00
37.83

N

ANISOU
377
NZ
LYS
A
53
4816
4887
4672
96
−141
−88
N

ATOM
378
C
LYS
A
53
27.105
−15.426
9.015
1.00
25.56

C

ANISOU
378
C
LYS
A
53
3245
3329
3139
124
−137
95
C

ATOM
379
O
LYS
A
53
27.773
−15.070
9.986
1.00
26.10

O

ANISOU
379
O
LYS
A
53
3309
3434
3175
147
−128
100
O

ATOM
380
N
VAL
A
54
26.944
−16.703
8.672
1.00
23.02

N

ANISOU
380
N
VAL
A
54
2926
2957
2863
119
−160
110
N

ATOM
381
CA
VAL
A
54
27.588
−17.788
9.400
1.00
22.34

C

ANISOU
381
CA
VAL
A
54
2841
2853
2795
140
−173
136
C

ATOM
382
CB
VAL
A
54
26.573
−18.875
9.810
1.00
23.14

C

ANISOU
382
CB
VAL
A
54
2932
2911
2948
125
−186
203
C

ATOM
383
CG1
VAL
A
54
27.267
−20.009
10.557
1.00
25.35

C

ANISOU
383
CG1
VAL
A
54
3212
3169
3251
148
−201
236
C

ATOM
384
CG2
VAL
A
54
25.445
−18.269
10.655
1.00
25.01

C

ANISOU
384
CG2
VAL
A
54
3149
3187
3166
114
−158
260
C

ATOM
385
C
VAL
A
54
28.680
−18.395
8.520
1.00
19.88

C

ANISOU
385
C
VAL
A
54
2543
2513
2497
157
−197
84
C

ATOM
386
O
VAL
A
54
28.421
−18.705
7.382
1.00
21.11

O

ANISOU
386
O
VAL
A
54
2706
2632
2682
147
−219
53
O

ATOM
387
N
LEU
A
55
29.899
−18.455
9.052
1.00
18.54

N

ANISOU
387
N
LEU
A
55
2374
2366
2303
186
−196
71
N

ATOM
388
CA
LEU
A
55
31.041
−18.981
8.315
1.00
18.48

C

ANISOU
388
CA
LEU
A
55
2377
2345
2301
209
−216
22
C

ATOM
389
CB
LEU
A
55
31.920
−17.846
7.761
1.00
18.51

C

ANISOU
389
CB
LEU
A
55
2376
2397
2262
215
−199
−28
C

ATOM
390
CG
LEU
A
55
33.195
−18.261
7.001
1.00
21.44

C

ANISOU
390
CG
LEU
A
55
2749
2770
2628
244
−213
−76
C

ATOM
391
CD1
LEU
A
55
32.888
−18.969
5.675
1.00
21.75

C

ANISOU
391
CD1
LEU
A
55
2798
2772
2693
249
−238
−108
C

ATOM
392
CD2
LEU
A
55
34.125
−17.073
6.777
1.00
24.76

C

ANISOU
392
CD2
LEU
A
55
3154
3245
3008
248
−192
−105
C

ATOM
393
C
LEU
A
55
31.867
−19.904
9.200
1.00
19.35

C

ANISOU
393
C
LEU
A
55
2488
2446
2419
238
−228
43
C

ATOM
394
O
LEU
A
55
32.351
−19.500
10.263
1.00
20.37

O

ANISOU
394
O
LEU
A
55
2609
2617
2514
254
−212
62
O

ATOM
395
N
TRP
A
56
32.018
−21.146
8.752
1.00
19.09

N

ANISOU
395
N
TRP
A
56
2465
2358
2430
250
−261
38
N

ATOM
396
CA
TRP
A
56
32.852
−22.109
9.447
1.00
19.36

C

ANISOU
396
CA
TRP
A
56
2502
2376
2476
281
−278
54
C

ATOM
397
CB
TRP
A
56
32.171
−23.469
9.497
1.00
17.43

C

ANISOU
397
CB
TRP
A
56
2263
2056
2304
275
−312
94
C

ATOM
398
CG
TRP
A
56
30.845
−23.490
10.167
1.00
17.29

C

ANISOU
398
CG
TRP
A
56
2232
2024
2312
242
−300
168
C

ATOM
399
CD1
TRP
A
56
29.650
−23.078
9.647
1.00
16.71

C

ANISOU
399
CD1
TRP
A
56
2153
1940
2256
205
−296
175
C

ATOM
400
NE1
TRP
A
56
28.636
−23.308
10.555
1.00
16.80

N

ANISOU
400
NE1
TRP
A
56
2147
1946
2292
185
−284
259
N

ATOM
401
CE2
TRP
A
56
29.172
−23.863
11.688
1.00
19.13

C

ANISOU
401
NE1
TRP
A
56
2436
2250
2583
210
−280
310
C

ATOM
402
CD2
TRP
A
56
30.560
−24.013
11.470
1.00
19.10

C

ANISOU
402
CD2
TRP
A
56
2449
2254
2556
246
−292
253
C

ATOM
403
CE3
TRP
A
56
31.351
−24.576
12.484
1.00
18.21

C

ANISOU
403
CE3
TRP
A
56
2334
2151
2433
280
−292
288
C

ATOM
404
CZ3
TRP
A
56
30.737
−24.980
13.666
1.00
16.23

C

ANISOU
404
CZ3
TRP
A
56
2065
1906
2195
279
−279
383
C

ATOM
405
CH2
TRP
A
56
29.347
−24.826
13.849
1.00
19.04

C

ANISOU
405
CH2
TRP
A
56
2401
2258
2575
243
−264
444
C

ATOM
406
CZ2
TRP
A
56
28.551
−24.275
12.873
1.00
17.63

C

ANISOU
406
CZ2
TRP
A
56
2224
2065
2408
207
−266
407
C

ATOM
407
C
TRP
A
56
34.173
−22.248
8.709
1.00
21.49

C

ANISOU
407
C
TRP
A
56
2778
2658
2729
315
−291
−11
C

ATOM
408
O
TRP
A
56
34.187
−22.589
7.531
1.00
21.01

O

ANISOU
408
O
TRP
A
56
2726
2571
2687
320
−313
−56
O

ATOM
409
N
MET
A
57
35.275
−21.964
9.399
1.00
24.92

N

ANISOU
409
N
MET
A
57
3206
3138
3126
341
−279
−16
N

ATOM
410
CA
MET
A
57
36.618
−22.114
8.829
1.00
28.83

C

ANISOU
410
CA
MET
A
57
3700
3652
3602
276
−289
−70
C

ATOM
411
CB
MET
A
57
37.075
−20.834
8.122
1.00
29.26

C

ANISOU
411
CB
MET
A
57
3740
3763
3614
368
−264
−112
C

ATOM
412
CG
MET
A
57
36.524
−20.651
6.720
1.00
26.41

C

ANISOU
412
CG
MET
A
57
3384
3390
3262
354
−268
−146
C

ATOM
413
SD
MET
A
57
37.293
−19.266
5.856
1.00
32.76

S

ANISOU
413
SD
MET
A
57
4165
4263
4019
352
−238
−184
S

ATOM
414
CE
MET
A
57
38.858
−19.989
5.372
1.00
32.03

C

ANISOU
414
CE
MET
A
57
4065
4103
3013
407
−254
−226
C

ATOM
415
C
MET
A
57
37.612
−22.471
9.921
1.00
31.83

C

ANISOU
415
C
MET
A
57
4075
4053
3965
409
−290
−54
C

ATOM
416
O
MET
A
57
37.387
−22.161
11.090
1.00
31.33

O

ANISOU
416
O
MET
A
57
4004
4012
3886
405
−274
−10
O

ATOM
417
N
GLN
A
58
38.704
−23.127
9.527
1.00
34.26

N

ANISOU
417
N
GLN
A
58
4385
4358
4274
447
−310
−90
N

ATOM
418
CA
GLN
A
58
39.762
−23.550
10.461
1.00
87.53

C

ANISOU
418
CA
GLN
A
58
4795
4793
4673
485
−316
−80
C

ATOM
419
CB
GLN
A
58
40.447
−22.335
11.102
1.00
38.18

C

ANISOU
419
CB
GLN
A
58
4854
4949
4704
484
−288
−88
C

ATOM
420
CG
GLN
A
58
41.120
−21.396
10.117
1.00
40.46

C

ANISOU
420
CG
GLN
A
58
5125
5280
4968
479
−275
−141
C

ATOM
421
CD
GLN
A
58
41.775
−20.207
10.801
1.00
43.85

C

ANISOU
421
CD
GLN
A
58
5529
5771
5362
474
−255
−147
C

ATOM
422
OE1
GLN
A
58
41.704
−20.058
12.024
1.00
48.96

O

ANISOU
422
OE1
GLN
A
58
6174
6433
5996
479
−254
−119
O

ATOM
423
NE2
GLN
A
58
42.418
−19.354
10.010
1.00
45.42

N

ANISOU
423
NE2
GLN
A
58
5705
6008
5547
466
−244
−182
N

ATOM
424
C
GLN
A
58
39.247
−24.509
11.541
1.00
38.72

C

ANISOU
424
C
GLN
A
58
4955
4902
4856
491
−329
−15
C

ATOM
425
O
GLN
A
58
39.809
−24.587
12.640
1.00
39.91

O

ANISOU
425
O
GLN
A
58
5099
5082
4984
515
−323
12
O

ATOM
426
N
GLY
A
59
38.179
−25.236
11.223
1.00
39.44

N

ANISOU
426
N
GLY
A
59
5060
4927
5001
470
−347
12
N

ATOM
427
CA
GLY
A
59
37.613
−26.223
12.141
1.00
40.38

C

ANISOU
427
CA
GLY
A
59
5182
4997
5162
471
−361
86
C

ATOM
428
C
GLY
A
59
36.680
−25.676
13.205
1.00
40.55

C

ANISOU
428
C
GLY
A
59
5190
5047
5168
446
−330
157
C

ATOM
429
O
GLY
A
59
36.314
−26.400
14.132
1.00
41.74

O

ANISOU
429
O
GLY
A
59
5338
5177
5345
452
−334
230
O

ATOM
430
N
SER
A
60
36.292
−24.406
13.083
1.00
38.81

N

ANISOU
430
N
SER
A
60
4961
4877
4907
421
−300
189
N

ATOM
431
CA
SER
A
60
35.325
−23.804
14.004
1.00
38.17

C

ANISOU
431
CA
SER
A
60
4867
4829
4807
401
−271
199
C

ATOM
432
CB
SER
A
60
36.028
−23.267
15.262
1.00
39.28

C

ANISOU
432
CB
SER
A
60
4996
5043
4886
436
−252
213
C

ATOM
433
OG
SER
A
60
36.491
−21.939
15.077
1.00
42.67

O

ANISOU
433
OG
SER
A
60
5419
5530
5266
433
−236
154
O

ATOM
434
C
SER
A
60
34.484
−22.709
13.344
1.00
36.44

C

ANISOU
434
C
SER
A
60
4645
4626
4574
362
−252
174
C

ATOM
435
O
SER
A
60
34.775
−22.263
12.230
1.00
33.82

O

ANISOU
435
O
SER
A
60
4319
4292
4240
352
−257
111
O

ATOM
436
N
GLN
A
61
33.436
−22.284
14.038
1.00
35.40

N

ANISOU
436
N
GLN
A
61
4502
4517
4433
345
−230
229
N

ATOM
437
CA
GLN
A
61
32.588
−21.214
13.549
1.00
35.71

C

ANISOU
437
CA
GLN
A
61
4537
4575
4457
312
−212
211
C

ATOM
438
CB
GLN
A
61
31.236
−21.266
14.245
1.00
36.51

C

ANISOU
438
CB
GLN
A
61
4625
4680
4569
294
−195
288
C

ATOM
439
CG
GLN
A
61
30.135
−20.659
13.432
1.00
40.44

C

ANISOU
439
CG
GLN
A
61
5121
5164
5079
545
−188
276
C

ATOM
440
CD
GLN
A
61
28.968
−20.225
14.277
1.00
48.35

C

ANISOU
440
CD
GLN
A
61
6104
6204
6064
246
−162
341
C

ATOM
441
OE1
GLN
A
61
28.891
−20.523
15.469
1.00
52.99

O

ANISOU
441
OE1
GLN
A
61
6678
6825
6633
271
−150
404
O

ATOM
442
NE2
GLN
A
61
28.044
−19.509
13.660
1.00
53.19

N

ANISOU
442
NE2
GLN
A
61
6714
6818
6678
215
−153
327
N

ATOM
443
C
GLN
A
61
33.263
−19.865
13.789
1.00
35.79

C

ANISOU
443
C
GLN
A
61
4542
4653
4405
324
−193
163
C

ATOM
444
O
GLN
A
61
33.561
−19.505
14.930
1.00
36.83

O

ANISOU
444
O
GLN
A
61
4664
4836
4495
352
−182
182
O

ATOM
445
N
GLN
A
62
33.499
−19.129
12.710
1.00
34.86

N

ANISOU
445
N
GLN
A
62
4428
4535
4283
306
−193
103
N

ATOM
446
CA
GLN
A
62
34.238
−17.868
12.774
1.00
34.71

C

ANISOU
446
CA
GLN
A
62
4400
4567
4220
312
−181
56
C

ATOM
447
CB
GLN
A
62
35.246
−17.775
11.627
1.00
33.60

C

ANISOU
447
CB
GLN
A
62
4261
4420
4086
312
−191
−2
C

ATOM
448
CG
GLN
A
62
36.234
−18.940
11.575
1.00
33.97

C

ANISOU
448
CG
GLN
A
62
4313
4447
4148
343
−211
−10
C

ATOM
449
CD
GLN
A
62
37.137
−19.030
12.802
1.00
33.64

C

ANISOU
449
CD
GLN
A
62
4262
4441
4078
379
−214
0
C

ATOM
450
OE1
GLN
A
62
37.253
−18.083
13.585
1.00
36.58

O

ANISOU
450
OE1
GLN
A
62
4622
4859
4416
384
−203
−2
O

ATOM
451
NE2
GLN
A
62
37.787
−20.176
12.969
1.00
38.09

N

ANISOU
451
NE2
GLN
A
62
4832
4983
4657
409
−232
8
N

ATOM
452
C
GLN
A
62
33.292
−16.674
12.789
1.00
35.62

C

ANISOU
452
C
GLN
A
62
4510
4707
4318
288
−193
57
C

ATOM
453
O
GLN
A
62
33.219
−15.955
13.791
1.00
35.97

O

ANISOU
453
O
GLN
A
62
4545
4796
4326
304
−154
66
O

ATOM
454
N
CYS
A
63
32.585
−16.457
11.679
1.00
36.04

N

ANISOU
454
N
CYS
A
63
4569
4733
4393
256
−160
44
N

ATOM
455
CA
CYS
A
63
31.386
−15.628
11.704
1.00
36.00

C

ANISOU
455
CA
CYS
A
63
4561
4739
4370
232
−145
60
C

ATOM
456
CB
CYS
A
63
30.900
−15.269
10.296
1.00
33.72

C

ANISOU
456
CB
CYS
A
63
4277
4424
4110
201
−144
32
C

ATOM
457
SG
CYS
A
63
32.056
−14.281
9.312
1.00
36.28

S

ANISOU
457
SG
CYS
A
63
4596
4768
4420
199
−142
−31
S

ATOM
458
C
CYS
A
63
30.370
−16.486
12.437
1.00
36.95

C

ANISOU
458
C
CYS
A
63
4679
4846
4516
232
−142
127
C

ATOM
459
O
CYS
A
63
29.974
−17.566
11.959
1.00
32.30

O

ANISOU
459
O
CYS
A
63
4095
4206
3972
219
−156
150
O

ATOM
460
N
LYS
A
64
29.991
−16.023
13.622
1.00
39.37

N

ANISOU
460
N
LYS
A
64
4974
5197
4786
251
−128
160
N

ATOM
461
CA
LYS
A
64
29.180
−16.817
14.530
1.00
42.44

C

ANISOU
461
CA
LYS
A
64
5352
5590
5182
260
−121
236
C

ATOM
462
CB
LYS
A
64
29.545
−16.520
15.985
1.00
43.65

C

ANISOU
462
CB
LYS
A
64
5495
5809
5282
306
−111
258
C

ATOM
463
CG
LYS
A
64
30.862
−17.152
16.405
1.00
44.11

C

ANISOU
463
CG
LYS
A
64
5557
5869
5335
339
−126
246
C

ATOM
464
CD
LYS
A
64
31.253
−16.754
17.814
1.00
49.60

C

ANISOU
464
CD
LYS
A
64
6241
6636
5969
390
−120
258
C

ATOM
465
CE
LYS
A
64
32.618
−17.323
18.182
1.00
50.94

C

ANISOU
465
CE
LYS
A
64
6414
6809
6133
423
−137
240
C

ATOM
466
NZ
LYS
A
64
33.680
−16.893
17.226
1.00
49.23

N

ANISOU
466
NZ
LYS
A
64
6206
6569
5930
407
−153
161
N

ATOM
467
C
LYS
A
64
27.687
−16.650
14.280
1.00
43.45

C

ANISOU
467
C
LYS
A
64
5472
5710
5327
230
−108
273
C

ATOM
468
O
LYS
A
64
26.870
−17.370
14.857
1.00
45.88

O

ANISOU
468
O
LYS
A
64
5465
6015
5653
229
−102
346
O

ATOM
469
N
GLY
A
65
27.341
−15.717
13.398
1.00
43.45

N

ANISOU
469
N
GLY
A
65
5479
5708
5325
206
−105
228
N

ATOM
470
CA
GLY
A
65
25.954
−15.457
13.046
1.00
42.78

C

ANISOU
470
CA
GLY
A
65
5385
5616
5253
177
−95
254
C

ATOM
471
C
GLY
A
65
25.154
−14.981
14.239
1.00
43.41

C

ANISOU
471
C
GLY
A
65
5446
5756
5292
199
−73
304
C

ATOM
472
O
GLY
A
65
25.566
−14.071
14.966
1.00
44.96

O

ANISOU
472
O
GLY
A
65
5642
6007
5435
232
−66
279
O

ATOM
473
N
GLY
A
66
24.015
−15.624
14.452
1.00
42.92

N

ANISOU
473
N
GLY
A
66
5365
5685
5256
185
−65
374
N

ATOM
474
CA
GLY
A
66
23.102
−15.209
15.489
1.00
41.54

C

ANISOU
474
CA
GLY
A
66
5167
5574
5041
207
−40
429
C

ATOM
475
C
GLY
A
66
22.163
−14.150
14.956
1.00
39.51

C

ANISOU
475
C
GLY
A
66
4908
5332
4770
190
−31
408
C

ATOM
476
O
GLY
A
66
21.705
−14.227
13.815
1.00
40.36

O

ANISOU
476
O
GLY
A
66
5023
5390
4922
148
−40
384
O

ATOM
477
N
SER
A
67
21.900
−13.149
15.787
1.00
37.41

N

ANISOU
477
N
SER
A
67
4634
5137
4442
227
−15
399
N

ATOM
478
CA
SER
A
67
20.776
−12.252
15.574
1.00
34.09

C

ANISOU
478
CA
SER
A
67
4205
4743
4006
220
−3
396
C

ATOM
479
CB
SER
A
67
20.242
−11.744
16.916
1.00
35.01

C

ANISOU
479
CB
SER
A
67
4299
4949
4055
275
17
433
C

ATOM
480
OG
SER
A
67
19.696
−12.808
17.672
1.00
39.48

O

ANISOU
480
OG
SER
A
67
4835
5537
4630
284
35
531
O

ATOM
481
C
SER
A
67
21.112
−11.084
14.665
1.00
30.63

C

ANISOU
481
C
SER
A
67
3790
4285
3561
206
−15
310
C

ATOM
482
O
SER
A
67
22.283
−10.786
14.424
1.00
31.41

O

ANISOU
482
O
SER
A
67
3909
4368
3658
211
−30
253
O

ATOM
483
N
AGLU
A
68
20.061
−10.436
14.169
0.50
29.14

N

ANISOU
483
N
AGLU
A
68
3597
4101
3373
189
−7
308
N

ATOM
484
N
BGLU
A
68
20.074
−10.427
14.162
0.50
29.24

N

ANISOU
484
N
BGLU
A
68
3610
4114
3886
189
−7
307
N

ATOM
485
CA
AGLU
A
68
20.176
−9.245
13.337
0.50
26.36

C

ANISOU
485
CA
AGLU
A
68
3264
3736
3016
177
−16
239
C

ATOM
486
CA
BGLU
A
68
20.244
−9.285
13.275
0.50
26.57

C

ANISOU
486
CA
BGLU
A
68
3292
3759
3046
175
−17
237
C

ATOM
487
CB
AGLU
A
68
18.797
−9.285
12.813
0.50
26.79

C

ANISOU
487
CB
AGLU
A
68
3308
3794
3077
158
−5
255
C

ATOM
488
CB
BGLU
A
68
18.970
−9.043
12.460
0.50
26.83

C

ANISOU
488
CB
BGLU
A
68
3318
3778
3099
144
−10
250
C

ATOM
489
CG
AGLU
A
68
18.135
−9.816
11.860
0.50
27.80

C

ANISOU
489
CG
AGLU
A
68
3428
3870
3262
110
−8
288
C

ATOM
490
CG
BGLU
A
68
18.662
−10.177
11.484
0.50
28.00

C

ANISOU
490
CG
BGLU
A
68
3464
3868
3308
99
−17
274
C

ATOM
491
CD
AGLU
A
68
16.635
−9.605
11.762
0.50
27.50

C

ANISOU
491
CD
AGLU
A
68
3369
3854
3227
99
5
326
C

ATOM
492
CD
BGLU
A
68
17.345
−10.010
10.755
0.50
28.16

C

ANISOU
492
CD
BGLU
A
68
3473
3878
3349
71
−13
289
C

ATOM
493
OE1
AGLU
A
68
15.965
−9.563
12.816
0.50
30.52

O

ANISOU
493
OE1
AGLU
A
68
3725
4293
3576
128
23
377
O

ATOM
494
OE1
BGLU
A
68
16.811
−8.878
10.704
0.50
31.11

O

ANISOU
494
OE1
BGLU
A
68
3848
4283
3691
82
−5
267
O

ATOM
495
OE2
AGLU
A
68
16.125
−9.485
10.630
0.50
29.18

O

ANISOU
495
OE2
AGLU
A
68
3587
4030
3470
66
−3
306
O

ATOM
496
OE2
BGLU
A
68
16.845
−11.023
10.221
0.50
27.72

O

ANISOU
496
OE2
BGLU
A
68
3406
3782
3344
39
−22
320
O

ATOM
497
C
AGLU
A
68
20.786
−8.080
14.106
0.50
24.30

C

ANISOU
497
C
AGLU
A
68
3009
3519
2704
222
−23
191
C

ATOM
498
C
BGLU
A
68
20.656
−8.031
14.037
0.50
24.45

C

ANISOU
498
C
BGLU
A
68
3028
3537
2724
219
−22
192
C

ATOM
499
O
AGLU
A
68
20.689
−8.009
15.337
0.50
24.85

O

ANISOU
499
O
AGLU
A
68
3067
3648
2729
269
−17
213
O

ATOM
500
O
BGLU
A
68
20.303
−7.857
15.206
0.50
24.85

O

ANISOU
500
O
BGLU
A
68
3139
3725
2805
265
−13
217
O

ATOM
501
N
TYR
A
69
21.426
−7.179
13.365
1.00
10.08

N

ANISOU
501
N
TYR
A
69
2480
2943
2167
208
−38
127
N

ATOM
502
CA
TYR
A
69
21.886
−5.901
13.905
1.00
19.08

C

ANISOU
502
CA
TYR
A
69
2372
2857
2021
243
−53
74
C

ATOM
503
CB
TYR
A
69
23.174
−5.471
13.192
1.00
18.87

C

ANISOU
503
CB
TYR
A
69
2359
2788
2023
222
−72
19
C

ATOM
504
CG
TYR
A
69
24.415
−6.143
13.729
1.00
21.57

C

ANISOU
504
CG
TYR
A
69
2700
3132
2364
238
−82
14
C

ATOM
505
CD1
TYR
A
69
24.770
−7.424
13.318
1.00
25.05

C

ANISOU
505
CD1
TYR
A
69
3142
3544
2830
216
−74
44
C

ATOM
506
CE1
TYR
A
69
25.913
−8.053
13.826
1.00
26.72

C

ANISOU
506
CE1
TYR
A
69
3353
3760
3040
234
−84
39
C

ATOM
507
CZ
TYR
A
69
26.701
−7.382
14.750
1.00
26.47

C

ANISOU
507
CZ
TYR
A
69
3318
3761
2979
272
−101
3
C

ATOM
508
OH
TYR
A
69
27.832
−7.973
15.264
1.00
26.89

O

ANISOU
508
OH
TYR
A
69
3370
3821
3029
292
−112
−3
O

ATOM
509
CE2
TYR
A
69
26.364
−6.110
15.165
1.00
27.21

C

ANISOU
509
CE2
TYR
A
69
3410
3880
3050
294
−113
−31
C

ATOM
510
CD2
TYR
A
69
25.223
−5.498
14.659
1.00
22.30

C

ANISOU
510
CD2
TYR
A
69
2790
3252
2430
278
−103
−25
C

ATOM
511
C
TYR
A
69
20.833
−4.830
13.669
1.00
17.26

C

ANISOU
511
C
TYR
A
69
2141
2640
1778
245
−50
61
C

ATOM
512
O
TYR
A
69
20.781
−3.826
14.376
1.00
19.05

O

ANISOU
512
O
TYR
A
69
2367
2900
1971
286
−63
28
O

ATOM
513
N
LEU
A
70
20.017
−5.042
12.642
1.00
15.97

N

ANISOU
513
N
LEU
A
70
1978
2447
1644
205
−38
82
N

ATOM
514
CA
LEU
A
70
19.083
−4.036
12.151
1.00
16.35

C

ANISOU
514
CA
LEU
A
70
2027
2497
1688
200
−37
67
C

ATOM
515
CB
LEU
A
70
19.775
−3.119
11.114
1.00
15.03

C

ANISOU
515
CB
LEU
A
70
1877
2284
1549
175
−53
14
C

ATOM
516
CG
LEU
A
70
18.914
−2.174
10.247
1.00
13.73

C

ANISOU
516
CG
LEU
A
70
1717
2106
1393
159
−52
2
C

ATOM
517
CD1
LEU
A
70
18.398
−0.978
11.040
1.00
18.76

C

ANISOU
517
CD1
LEU
A
70
2353
2777
1998
202
−63
−23
C

ATOM
518
CD2
LEU
A
70
19.671
−1.680
9.021
1.00
15.83

C

ANISOU
518
CD2
LEU
A
70
1995
2324
1696
126
−60
−28
C

ATOM
519
C
LEU
A
70
17.914
−4.754
11.502
1.00
17.210

C

ANISOU
519
C
LEU
A
70
2126
2597
1817
168
−19
115
C

ATOM
520
O
LEU
A
70
18.105
−5.700
10.727
1.00
17.06

O

ANISOU
520
O
LEU
A
70
2109
2538
1837
132
−18
131
O

ATOM
521
N
ARG
A
71
16.704
−4.330
11.855
1.00
17.46

N

ANISOU
521
N
ARG
A
71
2143
2668
1824
187
−8
137
N

ATOM
522
CA
ARG
A
71
15.510
−4.752
11.141
1.00
19.08

C

ANISOU
522
CA
ARG
A
71
2335
2863
2051
155
5
175
C

ATOM
523
CB
ARG
A
71
14.963
−6.080
11.669
1.00
19.32

C

ANISOU
523
CB
ARG
A
71
2338
2908
2093
148
19
247
C

ATOM
524
CG
ARG
A
71
13.768
−6.582
10.877
1.00
21.01

C

ANISOU
524
CG
ARG
A
71
2535
3104
2344
110
25
285
C

ATOM
525
CD
ARG
A
71
13.191
−7.858
11.454
1.00
25.89

C

ANISOU
525
CD
ARG
A
71
3119
3733
2985
101
36
365
C

ATOM
526
NE
ARG
A
71
12.212
−8.444
10.540
1.00
33.65

N

ANISOU
526
NE
ARG
A
71
4085
4680
4020
56
32
392
N

ATOM
527
CZ
ARG
A
71
12.497
−9.318
9.576
1.00
36.44

C

ANISOU
527
CZ
ARG
A
71
4448
4966
4432
14
11
382
C

ATOM
528
NH1
ARG
A
71
13.747
−9.727
9.373
1.00
36.36

N

ANISOU
528
NH1
ARG
A
71
4463
4918
4435
12
−3
349
N

ATOM
529
NH2
ARG
A
71
11.523
−9.782
8.800
1.00
35.64

N

ANISOU
529
NH2
ARG
A
71
4328
4836
4377
−21
1
402
N

ATOM
530
C
ARG
A
71
14.463
−3.664
11.250
1.00
19.76

C

ANISOU
530
C
ARG
A
71
2416
2986
2108
178
9
166
C

ATOM
531
O
ARG
A
71
13.762
−3.553
12.260
1.00
21.63

O

ANISOU
531
O
ARG
A
71
2631
3283
2304
218
21
196
O

ATOM
532
N
TYR
A
72
14.379
−2.860
10.197
1.00
19.18

N

ANISOU
532
N
TYR
A
72
2358
2877
2051
157
0
127
N

ATOM
533
CA
TYR
A
72
13.509
−1.705
10.164
1.00
18.22

C

ANISOU
533
CA
TYR
A
72
2236
2780
1906
179
−1
110
C

ATOM
534
CB
TYR
A
72
14.337
−0.446
9.911
1.00
18.56

C

ANISOU
534
CB
TYR
A
72
2304
2797
1951
189
−23
47
C

ATOM
535
CG
TYR
A
72
18.532
0.787
9.570
1.00
20.17

C

ANISOU
535
CG
TYR
A
72
2513
3006
2146
204
−30
23
C

ATOM
536
CD1
TYR
A
72
12.674
1.368
10.503
1.00
26.07

C

ANISOU
536
CD1
TYR
A
72
3248
3809
2849
255
−30
24
C

ATOM
537
CE1
TYR
A
72
11.924
2.505
10.187
1.00
29.88

C

ANISOU
537
CE1
TYR
A
72
3736
4293
3323
272
−39
0
C

ATOM
538
CZ
TYR
A
72
12.031
3.069
8.923
1.00
25.69

C

ANISOU
538
CZ
TYR
A
72
3222
3708
2831
236
−46
−19
C

ATOM
539
OH
TYR
A
72
11.297
4.197
8.606
1.00
27.75

O

ANISOU
539
OH
TYR
A
72
3488
3968
3086
254
−57
−40
O

ATOM
540
CE2
TYR
A
72
12.878
2.511
7.983
1.00
24.35

C

ANISOU
540
CE2
TYR
A
72
3061
3489
2701
186
−44
−15
C

ATOM
541
CD2
TYR
A
72
13.622
1.371
8.310
1.00
19.75

C

ANISOU
541
CD2
TYR
A
72
2474
2906
2125
172
−30
3
C

ATOM
542
C
TYR
A
72
12.476
−1.916
9.072
1.00
18.95

C

ANISOU
542
C
TYR
A
72
2321
2854
2025
142
7
131
C

ATOM
543
O
TYR
A
72
12.824
−2.111
7.904
1.00
17.30

O

ANISOU
543
O
TYR
A
72
2126
2597
1852
104
1
115
O

ATOM
544
N
GLU
A
73
11.208
−1.895
9.469
1.00
19.95

N

ANISOU
544
N
GLU
A
73
2424
3027
2131
158
21
166
N

ATOM
545
CA
GLU
A
73
10.092
−2.071
8.544
1.00
23.18

C

ANISOU
545
CA
GLU
A
73
2819
3425
2562
128
26
187
C

ATOM
546
CB
GLU
A
73
9.235
−3.276
8.952
1.00
26.10

C

ANISOU
546
CB
GLU
A
73
3151
3819
2946
114
41
258
C

ATOM
547
CG
GLU
A
73
9.760
−4.621
8.513
1.00
32.38

C

ANISOU
547
CG
GLU
A
73
3945
4565
3793
71
34
279
C

ATOM
548
CD
GLU
A
73
8.913
−5.786
9.013
1.00
36.59

C

ANISOU
548
CD
GLU
A
73
4435
5116
4350
57
45
356
C

ATOM
549
OE1
GLU
A
73
8.726
−5.909
10.243
1.00
43.24

O

ANISOU
549
OE1
GLU
A
73
5254
6014
5160
90
63
402
O

ATOM
550
OE2
GLU
A
73
8.453
−6.590
8.171
1.00
44.28

O

ANISOU
550
OE2
GLU
A
73
5397
6048
5379
13
33
373
O

ATOM
551
C
GLU
A
73
9.229
−0.825
8.575
1.00
22.22

C

ANISOU
551
C
GLU
A
73
2697
3337
2409
159
26
168
C

ATOM
552
O
GLU
A
73
8.947
−0.286
9.654
1.00
23.60

O

ANISOU
552
O
GLU
A
73
2862
3566
2539
210
31
169
O

ATOM
553
N
ASP
A
74
8.796
−0.366
7.403
1.00
21.01

N

ANISOU
553
N
ASP
A
74
2553
3153
2275
136
20
149
N

ATOM
554
CA
ASP
A
74
7.900
0.782
7.346
1.00
21.37

C

ANISOU
554
CA
ASP
A
74
2598
3227
2295
165
19
134
C

ATOM
555
CB
ASP
A
74
8.685
2.090
7.477
1.00
21.24

C

ANISOU
555
CB
ASP
A
74
2612
3193
2265
194
1
77
C

ATOM
556
CG
ASP
A
74
7.920
3.158
8.244
1.00
28.94

C

ANISOU
556
CG
ASP
A
74
3581
4216
3197
251
−4
62
C

ATOM
557
OD1
ASP
A
74
6.684
3.039
8.404
1.00
31.06

O

ANISOU
557
OD1
ASP
A
74
3825
4532
3445
265
11
93
O

ATOM
558
OD2
ASP
A
74
8.566
4.19
8.708
1.00
34.38

O

ANISOU
558
OD2
ASP
A
74
4290
4897
3875
285
−20
15
O

ATOM
559
C
ASP
A
74
7.119
0.818
6.048
1.00
19.95

C

ANISOU
559
C
ASP
A
74
2417
3024
2140
132
18
136
C

ATOM
560
O
ASP
A
74
7.528
0.223
5.052
1.00
20.93

O

ANISOU
560
O
ASP
A
74
2550
3104
2300
92
12
132
O

ATOM
561
N
THR
A
75
5.987
1.514
6.082
1.00
19.23

N

ANISOU
561
N
THR
A
75
2312
2968
2026
156
22
140
N

ATOM
562
CA
THR
A
75
5.242
1.851
4.885
1.00
18.41

C

ANISOU
562
CA
THR
A
75
2210
2848
1938
137
18
134
C

ATOM
563
CB
THR
A
75
3.728
1.649
5.099
1.00
19.43

C

ANISOU
563
CB
THR
A
75
2301
3029
2054
146
30
173
C

ATOM
564
OG1
THR
A
75
3.485
0.271
5.423
1.00
23.03

O

ANISOU
564
OG1
THR
A
75
2723
3493
2533
118
39
224
O

ATOM
565
CG2
THR
A
75
2.942
2.000
3.650
1.00
22.20

O

ANISOU
565
CG2
THR
A
75
2659
3372
2426
130
22
163
O

ATOM
566
C
THR
A
75
5.585
3.299
4.551
1.00
19.02

C

ANISOU
566
C
THR
A
75
2319
2907
2003
162
4
87
C

ATOM
567
O
THR
A
75
5.485
4.191
5.402
1.00
21.26

O

ANISOU
567
O
THR
A
75
2605
3216
2255
208
−1
69
O

ATOM
568
N
LEU
A
76
6.004
3.517
3.311
1.00
17.27

N

ANISOU
568
N
LEU
A
76
2117
2639
1807
134
−4
69
N

ATOM
569
CA
LEU
A
76
6.506
4.823
2.890
1.00
16.90

C

ANISOU
569
CA
LEU
A
76
2096
2562
1762
149
−17
35
C

ATOM
570
CB
LEU
A
76
7.636
4.658
1.865
1.00
17.11

C

ANISOU
570
CB
LEU
A
76
2142
2540
1820
115
−21
25
C

ATOM
571
CG
LEU
A
76
8.823
3.796
2.294
1.00
14.29

C

ANISOU
571
CG
LEU
A
76
1787
2166
1475
98
−20
24
C

ATOM
572
CD1
LEU
A
76
9.882
3.887
1.236
1.00
13.66

C

ANISOU
572
CD1
LEU
A
76
1724
2047
1421
74
−23
14
C

ATOM
573
CD2
LEU
A
76
9.379
4.279
3.608
1.00
16.93

C

ANISOU
573
CD2
LEU
A
76
2127
2510
1797
128
−28
8
C

ATOM
574
C
LEU
A
76
5.425
5.729
2.321
1.00
18.00

C

ANISOU
574
C
LEU
A
76
2235
2714
1890
167
−20
31
C

ATOM
575
O
LEU
A
76
4.400
5.258
1.838
1.00
19.44

O

ANISOU
575
O
LEU
A
76
2399
2919
2070
156
−12
53
O

ATOM
576
N
LEU
A
77
5.695
7.031
2.362
1.00
18.43

N

ANISOU
576
N
LEU
A
77
2310
2749
1945
193
−36
4
N

ATOM
577
CA
LEU
A
77
4.780
8.041
1.858
1.00
18.34

C

ANISOU
577
CA
LEU
A
77
2301
2742
1925
216
−42
−2
C

ATOM
578
CB
LEU
A
77
4.627
9.155
2.896
1.00
19.96

C

ANISOU
578
CB
LEU
A
77
2514
2958
2112
269
−61
−32
C

ATOM
579
CG
LEU
A
77
3.775
10.387
2.585
1.00
21.93

C

ANISOU
579
CG
LEU
A
77
2771
3207
2355
304
−76
−46
C

ATOM
580
CD1
LEU
A
77
2.299
10.029
2.492
1.00
25.02

C

ANISOU
580
CD1
LEU
A
77
3135
3656
2713
317
−59
−23
C

ATOM
581
CD2
LEU
A
77
4.013
11.426
3.675
1.00
24.59

C

ANISOU
581
CD2
LEU
A
77
3120
3540
2683
358
−105
−87
C

ATOM
582
C
LEU
A
77
5.296
8.596
0.530
1.00
17.89

C

ANISOU
582
C
LEU
A
77
2263
2637
1897
193
−48
−4
C

ATOM
583
O
LEU
A
77
6.460
8.984
0.404
1.00
17.89

O

ANISOU
583
O
LEU
A
77
2279
2595
1923
182
−57
−15
O

ATOM
584
N
LEU
A
78
4.425
8.612
−0.470
1.00
17.90

N

ANISOU
584
N
LEU
A
78
2258
2649
1893
187
−41
10
N

ATOM
585
CA
LEU
A
78
4.738
9.238
−1.742
1.00
18.33

C

ANISOU
585
CA
LEU
A
78
2326
2671
1965
176
−44
15
C

ATOM
586
CB
LEU
A
78
3.544
9.100
−2.689
1.00
19.34

C

ANISOU
586
CB
LEU
A
78
2443
2828
2077
178
−38
29
C

ATOM
587
CG
LEU
A
78
3.729
9.627
−4.106
1.00
18.92

C

ANISOU
587
CG
LEU
A
78
2400
2755
2033
172
−38
40
C

ATOM
588
CD1
LEU
A
78
4.865
8.901
−4.836
1.00
23.11

C

ANISOU
588
CD1
LEU
A
78
2935
3268
2577
142
−30
48
C

ATOM
589
CD2
LEU
A
78
2.427
9.535
−4.874
1.00
18.75

C

ANISOU
589
CD2
LEU
A
78
2366
2769
1991
183
−36
48
C

ATOM
590
C
LEU
A
78
5.103
10.709
−1.523
1.00
19.81

C

ANISOU
590
C
LEU
A
78
2532
2823
2170
202
−64
0
C

ATOM
591
O
LEU
A
78
4.448
11.412
−0.745
1.00
19.90

O

ANISOU
591
O
LEU
A
78
2545
2847
2169
239
−77
−17
O

ATOM
592
N
GLU
A
79
6.162
11.160
−2.189
1.00
22.69

N

ANISOU
592
N
GLU
A
79
2909
3144
2568
183
−68
8
N

ATOM
593
CA
GLU
A
79
6.624
12.543
−2.061
1.00
25.27

C

ANISOU
593
CA
GLU
A
79
3251
3424
2928
200
−91
0
C

ATOM
594
CB
GLU
A
79
7.800
12.819
−3.004
1.00
26.88

C

ANISOU
594
CB
GLU
A
79
3458
3585
3171
170
−88
26
C

ATOM
595
CG
GLU
A
79
9.170
12.388
−2.467
1.00
28.17

C

ANISOU
595
CG
GLU
A
79
3619
3726
3359
146
−91
19
C

ATOM
596
CD
GLU
A
79
10.317
12.825
3.378
1.00
30.44

C

ANISOU
596
CD
GLU
A
79
3903
3975
3688
120
−87
51
C

ATOM
597
OE1
GLU
A
79
11.449
12.328
−3.205
1.00
32.69

O

ANISOU
597
OE1
GLU
A
79
4182
4249
3989
98
−83
53
O

ATOM
598
OE2
GLU
A
79
10.085
13.662
−4.278
1.00
31.84

O

ANISOU
598
OE2
GLU
A
79
4080
4136
3881
124
−87
81
O

ATOM
599
C
GLU
A
79
5.483
13.489
−2.369
1.00
26.88

C

ANISOU
599
C
GLU
A
79
3458
3632
3122
232
−101
0
C

ATOM
600
O
GLU
A
79
4.725
13.263
−3.314
1.00
27.90

O

ANISOU
600
O
GLU
A
79
3581
3788
3232
229
−85
21
O

ATOM
601
N
ASP
A
80
5.348
14.523
−1.544
1.00
28.62

N

ANISOU
601
N
ASP
A
80
3689
3831
3356
267
−131
−28
N

ATOM
602
CA
ASP
A
80
4.355
15.581
−1.757
1.00
29.53

C

ANISOU
602
CA
ASP
A
80
3810
3942
3467
304
−147
−32
C

ATOM
603
CB
ASP
A
80
4.554
16.235
−3.135
1.00
31.58

C

ANISOU
603
CB
ASP
A
80
4075
4165
3758
287
−143
7
C

ATOM
604
CG
ASP
A
80
5.963
16.774
−3.322
1.00
37.49

C

ANISOU
604
CG
ASP
A
80
4829
4848
4567
261
157
21
C

ATOM
605
OD1
ASP
A
80
6.431
17.520
−2.438
1.00
44.26

O

ANISOU
605
OD1
ASP
A
80
5695
4661
5461
277
−193
−10
O

ATOM
606
OD2
ASP
A
80
6.608
16.446
−4.343
1.00
45.72

O

ANISOU
606
OD2
ASP
A
80
5865
5886
5622
227
−135
62
O

ATOM
607
C
ASP
A
80
2.890
15.153
−1.529
1.00
28.85

C

ANISOU
607
C
ASP
A
80
3711
3924
3327
333
−133
−37
C

ATOM
608
O
ASP
A
80
1.957
15.856
−1.930
1.00
29.97

O

ANISOU
608
O
ASP
A
80
3855
4074
3459
361
−140
−35
O

ATOM
609
N
GLN
A
81
2.697
14.004
−0.886
1.00
25.62

N

ANISOU
609
N
GLN
A
81
3286
3564
2886
325
−115
−40
N

ATOM
610
CA
GLN
A
81
1.384
13.631
−0.335
1.00
27.06

C

ANISOU
610
CA
GLN
A
81
3447
3812
3021
355
−105
−43
C

ATOM
611
CB
GLN
A
81
1.156
12.128
−0.485
1.00
27.52

C

ANISOU
611
CB
GLN
A
81
3482
3913
3062
318
−77
−17
C

ATOM
612
CG
GLN
A
81
0.987
11.671
−1.927
1.00
31.37

C

ANISOU
612
CG
GLN
A
81
3966
4396
3559
282
−63
8
C

ATOM
613
CD
GLN
A
81
−0.366
12.034
−2.507
1.00
40.19

C

ANISOU
613
CD
GLN
A
81
5071
5546
4654
305
−63
16
C

ATOM
614
OE1
GLN
A
81
−1.387
11.421
−2.174
1.00
44.77

O

ANISOU
614
OE1
GLN
A
81
5623
6178
5210
311
−53
24
O

ATOM
615
NE2
GLN
A
81
−0.381
13.029
−3.387
1.00
42.45

N

ANISOU
615
NE2
GLN
A
81
5375
5803
4953
317
−72
19
N

ATOM
616
C
GLN
A
81
1.320
14.051
1.148
1.00
25.07

C

ANISOU
616
C
GLN
A
81
3196
3580
2750
405
−125
−79
C

ATOM
617
O
GLN
A
81
2.363
14.180
1.786
1.00
22.08

O

ANISOU
617
O
GLN
A
81
2830
3169
2391
404
−141
−100
O

ATOM
618
N
PRO
A
82
0.099
14.268
1.705
1.00
25.75

N

ANISOU
618
N
PRO
A
82
3267
3724
2794
453
−125
−87
N

ATOM
619
CA
PRO
A
82
−0.007
14.694
3.112
1.00
26.99

C

ANISOU
619
CA
PRO
A
82
3422
3911
2922
514
−144
−124
C

ATOM
620
CB
PRO
A
82
−1.517
14.902
3.319
1.00
26.55

C

ANISOU
620
CB
PRO
A
82
3343
3925
2818
563
−137
−119
C

ATOM
621
CG
PRO
A
82
−2.122
14.928
1.957
1.00
28.22

C

ANISOU
621
CG
PRO
A
82
3554
4124
3046
531
−125
−90
C

ATOM
622
CD
PRO
A
82
−1.226
14.126
1.074
1.00
26.91

C

ANISOU
622
CD
PRO
A
82
3393
3916
2916
459
−108
−63
C

ATOM
623
C
PRO
A
82
0.511
13.641
4.099
1.00
28.47

C

ANISOU
623
C
PRO
A
82
3594
4135
3089
506
−128
−118
C

ATOM
624
O
PRO
A
82
0.189
12.458
3.970
1.00
26.18

O

ANISOU
624
O
PRO
A
82
3278
3883
2786
471
−95
−78
O

ATOM
625
N
THR
A
83
1.312
14.087
5.066
1.00
28.01

N

ANISOU
625
N
THR
A
83
3665
4174
3148
538
−155
−158
N

ATOM
626
CA
THR
A
83
1.863
13.227
6.122
1.00
31.70

C

ANISOU
626
CA
THR
A
83
4005
4563
3477
542
−145
−158
C

ATOM
627
CB
THR
A
83
2.742
14.041
7.104
1.00
32.44

C

ANISOU
627
CB
THR
A
83
4120
4630
3577
589
−188
−217
C

ATOM
628
OG1
THR
A
83
3.869
14.572
6.397
1.00
35.36

O

ANISOU
628
OG1
THR
A
83
4516
4905
4014
547
−213
−231
O

ATOM
629
CG2
THR
A
83
3.247
13.174
8.253
1.00
34.43

C

ANISOU
629
CG2
THR
A
83
4357
4930
3795
603
−177
−216
C

ATOM
630
C
THR
A
83
0.759
12.506
6.895
1.00
32.33

C

ANISOU
630
C
THR
A
83
4047
4742
3495
576
−116
−129
C

ATOM
631
O
THR
A
83
−0.283
13.092
7.196
1.00
31.77

O

ANISOU
631
O
THR
A
83
3965
4721
3387
632
−120
−139
O

ATOM
632
N
GLY
A
84
1.001
11.229
7.194
1.00
33.10

N

ANISOU
632
N
GLY
A
84
4122
4869
3584
542
−86
−89
N

ATOM
633
CA
GLY
A
84
0.073
10.410
7.969
1.00
34.43

C

ANISOU
633
CA
GLY
A
84
4247
5131
3703
566
−55
−47
C

ATOM
634
C
GLY
A
84
−1.143
9.932
7.199
1.00
35.36

C

ANISOU
634
C
GLY
A
84
4335
5279
3822
538
−29
1
C

ATOM
635
O
GLY
A
84
−1.963
9.182
7.731
1.00
36.81

O

ANISOU
635
O
GLY
A
84
4474
5537
3975
547
−2
48
O

ATOM
636
N
GLU
A
85
−1.261
10.354
5.942
1.00
32.61

N

ANISOU
636
N
GLU
A
85
4313
5183
8817
508
−38
−7
N

ATOM
637
CA
GLU
A
85
−2.431
10.016
5.140
1.00
34.60

C

ANISOU
637
CA
GLU
A
85
4229
5153
3762
482
−20
29
C

ATOM
638
CB
GLU
A
85
−2.597
10.984
3.966
1.00
35.43

C

ANISOU
638
CB
GLU
A
85
4363
5207
3891
477
−39
5
C

ATOM
639
CG
GLU
A
85
−4.0.32
11.462
3.758
1.00
38.71

C

ANISOU
639
CG
GLU
A
85
4755
5675
4278
513
−38
13
C

ATOM
640
CD
GLU
A
85
−4378
12.733
4.544
1.00
41.24

C

ANISOU
640
CD
GLU
A
85
5088
6021
4562
596
−59
−29
C

ATOM
641
OE1
GLU
A
85
−5.192
13.538
4.038
1.00
41.42

O

ANISOU
641
OE1
GLU
A
85
5112
6048
4576
624
−69
−40
O

ATOM
642
OE2
GLU
A
85
−3.848
12.932
5.659
1.00
45.75

O

ANISOU
642
OE2
GLU
A
85
5664
6607
5110
637
−69
−55
O

ATOM
643
C
GLU
A
85
−2.334
8.584
4.634
1.00
32.26

O

ANISOU
643
C
GLU
A
85
3910
4848
3497
411
2
77
O

ATOM
644
O
GLU
A
85
−1.240
8.088
4.332
1.00
32.87

O

ANISOU
644
O
GLU
A
85
4008
4872
3607
368
−1
72
O

ATOM
645
N
ASN
A
86
−3.462
7.918
4.572
1.00
29.04

N

ANISOU
645
N
ASN
A
86
3458
4495
3082
402
20
121
N

ATOM
646
CA
ASN
A
86
−3.552
6.570
4.042
1.00
26.42

C

ANISOU
646
CA
ASN
A
86
3100
4150
2789
337
33
164
C

ATOM
647
CB
ASN
A
86
−4.110
5.601
5.087
1.00
26.28

C

ANISOU
647
CB
ASN
A
86
3028
4199
2756
341
57
222
C

ATOM
648
CG
ASN
A
86
−3.316
5.627
6.378
1.00
28.69

C

ANISOU
648
CG
ASN
A
86
8842
4528
8081
378
68
218
C

ATOM
649
OD1
ASN
A
86
−2.161
5.216
6.416
1.00
33.68

O

ANISOU
649
OD1
ASN
A
86
4000
5111
3685
351
57
205
O

ATOM
650
NDA
ASN
A
86
−3.939
6.117
7.443
1.00
32.99

N

ANISOU
650
NDA
ASN
A
86
3863
5152
3519
446
73
226
N

ATOM
651
C
ASN
A
86
−4.396
6.588
2.782
1.00
24.52

C

ANISOU
651
C
ASN
A
86
2850
3898
2569
311
27
168
C

ATOM
652
O
ASN
A
86
−5.617
6.740
2.817
1.00
24.10

O

ANISOU
652
O
ASN
A
86
2762
3898
2498
332
33
188
O

ATOM
653
N
GLU
A
87
−3.725
6.453
1.654
1.00
24.12

N

ANISOU
653
N
GLU
A
87
2829
3782
2553
270
14
148
N

ATOM
654
CA
GLU
A
87
−4.356
63698
0.389
1.00
25.09

C

ANISOU
654
CA
GLU
A
87
2953
3891
2688
257
4
140
C

ATOM
655
CB
GLU
A
87
−4.212
8.180
0.019
1.00
26.01

C

ANISOU
655
CB
GLU
A
87
3108
3988
2785
297
−9
102
C

ATOM
656
CG
GLU
A
87
−5.060
8.647
−1.153
1.00
32.48

C

ANISOU
656
CG
GLU
A
87
3920
4808
3599
300
−17
97
C

ATOM
657
CD
GLU
A
87
−6.422
9.208
−0.741
1.00
35.21

C

ANISOU
657
CD
GLU
A
87
4243
5219
3918
346
−14
106
C

ATOM
658
OE1
GLU
A
87
−7.130
9.727
−1.625
1.00
40.23

O

ANISOU
658
OE1
GLU
A
87
4878
5858
4549
356
−23
100
O

ATOM
659
OE2
GLU
A
87
−6.787
9.144
0.453
1.00
38.26

O

ANISOU
659
OE2
GLU
A
87
4604
5655
4279
375
−3
120
O

ATOM
660
C
GLU
A
87
−3.646
5.844
−0621
1.00
25.01

C

ANISOU
660
C
GLU
A
87
2956
3828
2718
203
5
136
O

ATOM
661
O
GLU
A
87
−2.415
5.757
−0.625
1.00
26.89

O

ANISOU
661
O
GLU
A
87
3225
4023
2969
189
−7
120
O

ATOM
662
N
MET
A
88
−4.427
5.196
−1.468
1.00
22.55

N

ANISOU
662
N
MET
A
88
2618
3523
2428
176
−13
184
N

ATOM
663
CA
MET
A
88
−3.857
4.465
−2.578
1.00
22.85

C

ANISOU
663
CA
MET
A
88
2670
3515
2499
136
−27
134
C

ATOM
664
CB
MET
A
88
−4.851
3.466
−3.102
1.00
22.70

C

ANISOU
664
CB
MET
A
88
2606
3510
2509
107
−41
151
C

ATOM
665
CG
MET
A
88
−5.286
2.537
−1.997
1.00
28.14

C

ANISOU
665
CG
MET
A
88
3249
4224
3218
90
−31
195
C

ATOM
666
SD
MET
A
88
−5.718
0.950
−2.619
1.00
32.35

S

ANISOU
666
SD
MET
A
88
3742
4732
3817
34
−58
213
S

ATOM
667
CE
MET
A
88
−5.713
0.027
−1.111
1.00
35.94

C

ANISOU
667
CE
MET
A
88
4155
5205
4294
16
−39
275
C

ATOM
668
C
MET
A
88
−3.433
5.446
−3.645
1.00
20.70

C

ANISOU
668
C
MET
A
88
2436
3216
2212
153
−35
102
C

ATOM
669
O
MET
A
88
−3.957
6.557
−3.727
1.00
23.43

O

ANISOU
669
O
MET
A
88
2791
3581
2532
189
−34
96
O

ATOM
670
N
VAL
A
89
−2.456
5.036
−4.439
1.00
19.43

N

ANISOU
670
N
VAL
A
89
2300
3016
2069
130
−43
86
N

ATOM
671
CA
VAL
A
89
−1.871
5.907
−5.444
1.00
19.75

C

ANISOU
671
CA
VAL
A
89
2375
3034
2097
154
−46
67
C

ATOM
672
CB
VAL
A
89
−0.328
5.958
−5.251
1.00
19.88

C

ANISOU
672
CB
VAL
A
89
2421
3010
2122
135
−39
59
C

ATOM
673
CG1
VAL
A
89
0.848
6.720
−6.370
1.00
24.75

C

ANISOU
673
CG1
VAL
A
89
3605
3605
2732
146
−40
51
C

ATOM
674
CG2
VAL
A
89
0.007
6.587
−3.890
1.00
20.68

C

ANISOU
674
CG2
VAL
A
89
2531
3110
2217
152
−30
62
C

ATOM
675
C
VAL
A
89
−2.235
5.362
−6.813
1.00
18.70

C

ANISOU
675
C
VAL
A
89
2233
2903
1968
135
−62
56
C

ATOM
676
O
VAL
A
89
−2.071
4.167
−7.074
1.00
18.58

O

ANISOU
676
O
VAL
A
89
2205
2878
1978
107
−74
50
O

ATOM
677
N
ILE
A
90
−2.751
6.230
−7.680
1.00
19.11

N

ANISOU
677
N
ILE
A
90
2293
2970
1999
162
−65
51
N

ATOM
678
CA
ILE
A
90
−2.946
5.867
−9.075
1.00
19.26

C

ANISOU
678
CA
ILE
A
90
2309
2996
2013
164
−82
36
C

ATOM
679
CB
ILE
A
90
−4.240
6.477
−9.677
1.00
20.34

C

ANISOU
679
CB
ILE
A
90
2431
3169
2129
191
−90
36
C

ATOM
680
CG1
ILE
A
90
−5.483
6.076
−8.858
1.00
19.03

C

ANISOU
680
CG1
ILE
A
90
2224
3032
1975
183
−95
47
C

ATOM
681
CD1
ILE
A
90
−5.760
4.580
−8.810
1.00
25.11

C

ANISOU
681
CD1
ILE
A
90
2960
3798
2782
145
−114
44
C

ATOM
682
CG2
ILE
A
90
−4.385
6.097
−11.149
1.00
23.08

C

ANISOU
682
CG2
ILE
A
90
2775
3528
2465
200
−111
16
C

ATOM
683
C
ILE
A
90
−1.696
6.318
−9.832
1.00
18.33

C

ANISOU
683
C
ILE
A
90
2225
2855
1884
173
−74
32
C

ATOM
684
O
ILE
A
90
−1.485
7.518
−1.084
1.00
21.10

O

ANISOU
684
O
ILE
A
90
2603
3210
2225
197
−63
44
O

ATOM
685
N
MET
A
91
−0.845
5.359
−10.164
1.00
17.18

N

ANISOU
685
N
MET
A
91
2121
2732
1788
153
−80
19
N

ATOM
686
CA
MET
A
91
0.363
5.694
−10.899
1.00
16.52

C

ANISOU
686
CA
MET
A
91
2024
2598
1655
163
−70
21
C

ATOM
687
CB
MET
A
91
1.474
4.705
−10.575
1.00
14.54

C

ANISOU
687
CB
MET
A
91
1778
2322
1424
138
−70
11
C

ATOM
688
CG
MET
A
91
1.945
4.767
−9.133
1.00
14.75

C

ANISOU
688
CG
MET
A
91
1808
2323
1472
118
−58
23
C

ATOM
699
SD
MET
A
91
3.383
3.704
−8.920
1.00
17.86

S

ANISOU
699
SD
MET
A
91
2211
2689
1886
94
−57
13
S

ATOM
690
CE
MET
A
91
3.743
4.005
−7.179
1.00
17.65

C

ANISOU
690
CE
MET
A
91
2188
2642
1877
80
−43
28
C

ATOM
691
C
MET
A
91
0.092
5.742
−12.391
1.00
17.90

C

ANISOU
691
C
MET
A
91
2197
2802
1800
191
−81
11
C

ATOM
692
O
MET
A
91
−0.564
4.859
−12.939
1.00
17.85

O

ANISOU
692
O
MET
A
91
2173
2815
1795
192
−106
−14
O

ATOM
693
N
ARG
A
92
0.596
6.792
−13.033
1.00
18.21

N

ANISOU
693
N
ARG
A
92
2254
2847
1818
216
−64
34
N

ATOM
694
CA
ARG
A
92
0.387
7.016
−14.455
1.00
19.80

C

ANISOU
694
CA
ARG
A
92
2454
3085
1983
252
−69
34
C

ATOM
695
CB
ARG
A
92
−0.439
8.291
−14.655
1.00
21.38

C

ANISOU
695
CB
ARG
A
92
2657
3299
2168
279
−63
58
C

ATOM
696
CG
ARG
A
92
−1.821
8.226
−14.005
1.00
24.97

C

ANISOU
696
CG
ARG
A
92
3095
3761
2631
273
−77
44
C

ATOM
697
CD
ARG
A
92
−2.622
9.501
−14.200
1.00
30.61

C

ANISOU
697
CD
ARG
A
92
3813
4489
3329
305
−73
65
C

ATOM
698
NE
ARG
A
92
−3.995
9.342
−13.705
1.00
36.77

N

ANISOU
698
NE
ARG
A
92
4570
5289
4111
805
−87
51
N

ATOM
699
CZ
ARG
A
92
−4.374
9.513
−12.440
1.00
40.74

C

ANISOU
699
CZ
ARG
A
92
5068
5779
4634
291
−83
53
C

ATOM
700
NH1
ARG
A
92
−3.493
9.855
11.504
1.00
42.88

N

ANISOU
700
NH1
ARG
A
92
5356
6013
4923
278
−69
54
N

ATOM
701
NH2
ARG
A
92
−5.647
9.335
−12.109
1.00
37.52

N

ANISOU
701
NH2
ARG
A
92
4633
5400
4225
295
−94
46
N

ATOM
702
C
ARG
A
92
1.732
7.119
−15.172
1.00
19.61

C

ANISOU
702
C
ARG
A
92
2443
3065
1944
264
−53
50
C

ATOM
703
O
ARG
A
92
2.710
7.581
−14.587
1.00
19.14

O

ANISOU
703
O
ARG
A
92
2394
2973
1904
248
−33
75
O

ATOM
704
N
PRO
A
93
1.795
6.681
−16.444
1.00
21.00

N

ANISOU
704
N
PRO
A
93
2613
3284
2084
297
−62
37
N

ATOM
705
CA
PRO
A
93
3.062
6.777
17.174
1.00
21.01

C

ANISOU
705
CA
PRO
A
93
2619
3301
2062
316
−43
58
C

ATOM
706
CB
PRO
A
93
2.739
6.179
−18.557
1.00
22.06

C

ANISOU
706
CB
PRO
A
93
2742
3494
2146
363
−62
30
C

ATOM
707
CG
PRO
A
93
1.261
6.145
−18.644
1.00
23.21

C

ANISOU
707
CG
PRO
A
93
2878
3652
2289
370
−89
4
C

ATOM
708
CD
PRO
A
93
0.724
6.072
−17.250
1.00
20.87

C

ANISOU
708
CD
PRO
A
93
2581
3306
2043
321
−93
−1
C

ATOM
709
C
PRO
A
93
3.555
8.221
−17.314
1.00
22.72

C

ANISOU
709
C
PRO
A
93
2843
3511
2277
326
11
121
C

ATOM
710
O
PRO
A
93
2.753
9.164
−17.270
1.00
22.99

O

ANISOU
710
O
PRO
A
93
2880
3542
2313
335
−10
142
O

ATOM
711
N
GLY
A
94
4.869
8.384
−17.453
1.00
23.57

N

ANISOU
711
N
GLY
A
94
2953
3614
2389
323
11
152
N

ATOM
712
CA
GLY
A
94
5.476
9.701
−17.654
1.00
25.16

C

ANISOU
712
CA
GLY
A
94
3155
3805
2600
329
38
220
C

ATOM
713
C
GLY
A
94
5.834
10.403
−16.360
1.00
27.01

C

ANISOU
713
C
GLY
A
94
3400
3970
2894
288
42
236
C

ATOM
714
O
GLY
A
94
6.253
11.564
−16.368
1.00
30.27

O

ANISOU
714
O
GLY
A
94
3813
4358
3331
287
56
288
O

ATOM
715
N
ASN
A
95
5.668
9.695
−15.245
1.00
25.23

N

ANISOU
715
N
ASN
A
95
3181
3714
2692
256
27
191
N

ATOM
716
CA
ASN
A
95
5.942
10.234
−13.921
1.00
24.92

C

ANISOU
716
CA
ASN
A
95
3151
3616
2701
225
25
194
C

ATOM
717
CB
ASN
A
95
4.636
10.401
−13.136
1.00
25.15

C

ANISOU
717
CB
ASN
A
95
3185
3636
2737
223
8
167
C

ATOM
718
CG
ASN
A
95
3.600
11.223
−13.883
1.00
27.91

C

ANISOU
718
CG
ASN
A
95
3534
4008
3064
256
6
184
C

ATOM
719
OD1
ASN
A
95
3.768
12.727
−14.080
1.00
33.36

O

ANISOU
719
OD1
ASN
A
95
4228
4678
3768
268
12
224
O

ATOM
720
ND2
ASN
A
95
2.515
10.577
−14.291
1.00
28.10

N

ANISOU
720
ND2
ASN
A
95
8548
4071
8057
270
−7
155
N

ATOM
721
C
ASN
A
95
6.877
9.310
−13.148
1.00
23.96

C

ANISOU
721
C
ASN
A
95
3029
3474
2599
195
25
170
C

ATOM
722
O
ASN
A
95
6.837
8.092
−13.326
1.00
25.63

O

ANISOU
722
O
ASN
A
95
3237
3709
2793
193
17
136
O

ATOM
723
N
LYS
A
96
7.722
9.894
−12.302
1.00
22.92

N

ANISOU
723
N
LYS
A
96
2903
3298
2508
173
29
186
N

ATOM
724
CA
LYS
A
96
8.495
9.128
−11.324
1.00
22.56

C

ANISOU
724
CA
LYS
A
96
2860
3229
2484
145
26
161
C

ATOM
725
CB
LYS
A
96
9.921
9.640
−11.194
1.00
23.95

C

ANISOU
725
CB
LYS
A
96
3031
3376
2691
130
37
192
C

ATOM
726
CG
LYS
A
96
10.827
9.343
−12.380
1.00
28.94

C

ANISOU
726
CG
LYS
A
96
3650
4045
3303
142
57
222
C

ATOM
727
CD
LYS
A
96
12.271
9.686
−12.028
1.00
31.52

C

ANISOU
727
CD
LYS
A
96
3957
4343
3668
121
66
250
C

ATOM
728
CE
LYS
A
96
13.178
9.691
−13.278
1.00
36.99

C

ANISOU
728
CE
LYS
A
96
4638
5077
4341
137
91
297
C

ATOM
729
NZ
LYS
A
96
12.947
10.865
−14.142
1.00
46.39

N

ANISOU
729
NZ
LYS
A
96
5817
6276
5531
156
104
358
N

ATOM
730
C
LYS
A
96
7.794
9.246
−9.974
1.00
21.48

C

ANISOU
730
C
LYS
A
96
2730
3064
2365
134
10
134
C

ATOM
731
O
LYS
A
96
7.544
10.354
−9.496
1.00
23.38

O

ANISOU
731
O
LYS
A
96
2978
3278
2628
139
4
145
O

ATOM
732
N
TYR
A
97
7.477
8.105
−9.370
1.00
17.37

N

ANISOU
732
N
TYR
A
97
2208
2553
1838
122
3
101
N

ATOM
733
CA
TYR
A
97
6.841
8.089
−8.061
1.00
16.68

C

ANISOU
733
CA
TYR
A
97
2122
2453
1762
115
−8
82
C

ATOM
734
CB
TYR
A
97
5.676
7.100
−8.030
1.00
17.00

C

ANISOU
734
CB
TYR
A
97
2151
2524
1785
115
−16
62
C

ATOM
735
CG
TYR
A
97
4.578
7.545
8.955
1.00
16.58

C

ANISOU
735
CG
TYR
A
97
2092
2496
1709
137
−19
68
C

ATOM
736
CD1
TYR
A
97
3.585
8.405
−8.502
1.00
16.91

C

ANISOU
736
CD1
TYR
A
97
2134
2542
1748
154
−23
71
C

ATOM
737
CE1
TYR
A
97
2.584
8.845
−9.339
1.00
17.34

C

ANISOU
737
CE1
TYR
A
97
2185
2623
1782
176
−27
76
C

ATOM
738
CZ
TYR
A
97
2.580
8.452
−1.674
1.00
14.76

C

ANISOU
738
CZ
TYR
A
97
1853
3220
1434
185
−27
78
C

ATOM
739
OH
TYR
A
97
1.573
8.881
−11.502
1.00
19.87

O

ANISOU
739
OH
TYR
A
97
2494
2997
2059
211
−32
82
O

ATOM
740
CE2
TYR
A
97
3.558
7.595
−11.195
1.00
17.18

C

ANISOU
740
CE2
TYR
A
97
2159
2627
1740
173
−24
72
C

ATOM
741
CD2
TYR
A
97
4.564
7.155
−10.299
1.00
14.01

C

ANISOU
741
CD2
TYR
A
97
1763
2198
1363
148
−19
68
C

ATOM
742
C
TYR
A
97
7.901
7.750
−7.040
1.00
17.79

C

ANISOU
742
C
TYR
A
97
2267
2568
1926
96
−8
73
C

ATOM
743
O
TYR
A
97
8.402
6.619
−6.991
1.00
17.90

O

ANISOU
743
O
TYR
A
97
2276
2587
1938
81
−6
62
O

ATOM
744
N
GLU
A
98
8.250
8.749
−6.237
1.00
17.47

N

ANISOU
744
N
GLU
A
98
2234
2496
1908
99
−14
75
N

ATOM
745
CA
GLU
A
98
9.398
8.648
−5.354
1.00
16.68

C

ANISOU
745
CA
GLU
A
98
2137
2369
1832
85
−17
67
C

ATOM
746
CB
GLU
A
98
10.393
9.770
−5.641
1.00
19.50

C

ANISOU
746
CB
GLU
A
98
2496
2689
2223
82
−20
89
C

ATOM
747
CG
GLU
A
98
10.929
9.732
−7.064
1.00
18.52

C

ANISOU
747
CG
GLU
A
98
2363
2578
2094
78
−2
123
C

ATOM
748
CD
GLU
A
98
11.809
10.899
−7.434
1.00
29.43

C

ANISOU
748
CD
GLU
A
98
3740
3926
3515
73
−2
160
C

ATOM
749
OE1
GLU
A
98
11.958
11.833
−6.621
1.00
35.46

C

ANISOU
749
OE1
GLU
A
98
4509
4647
4318
72
−23
153
C

ATOM
750
OE2
GLU
A
98
12.352
10.870
−8.562
1.00
32.61

C

ANISOU
750
OE2
GLU
A
98
4130
4347
3912
73
16
196
C

ATOM
751
C
GLU
A
98
8.961
8.660
−3.897
1.00
18.05

C

ANISOU
751
C
GLU
A
98
2312
2540
2004
94
−29
43
C

ATOM
752
O
GLU
A
98
8.144
9.493
−3.479
1.00
18.60

O

ANISOU
752
O
GLU
A
98
2386
2611
2071
117
−40
36
O

ATOM
753
N
TYR
A
99
9.512
7.722
−3.141
1.00
15.38

N

ANISOU
753
N
TYR
A
99
1971
2205
1667
82
−28
31
N

ATOM
754
CA
TYR
A
99
9.173
7.532
−1.737
1.00
15.71

C

ANISOU
754
CA
TYR
A
99
2012
2258
1700
94
−36
14
C

ATOM
755
CB
TYR
A
99
8.596
6.129
−1.509
1.00
14.33

C

ANISOU
755
CB
TYR
A
99
1822
2114
1507
84
−26
18
C

ATOM
756
CG
TYR
A
99
7.272
5.852
−2.179
1.00
13.93

C

ANISOU
756
CG
TYR
A
99
1761
2092
1441
86
−22
28
C

ATOM
757
CD1
TYR
A
99
6.089
5.824
−1.433
1.00
14.41

C

ANISOU
757
CD1
TYR
A
99
1807
2183
1483
103
−22
31
C

ATOM
758
CE1
TYR
A
99
4.864
5.559
−2.036
1.00
14.93

C

ANISOU
758
CE1
TYR
A
99
1857
2275
1539
103
−21
41
C

ATOM
759
CZ
TYR
A
99
4.808
5.343
−3.404
1.00
14.21

C

ANISOU
759
CZ
TYR
A
99
1768
2178
1452
90
−22
42
C

ATOM
760
OH
TYR
A
99
3.597
5.075
−4.011
1.00
17.57

O

ANISOU
760
OH
TYR
A
99
2177
2629
1869
92
−26
47
O

ATOM
761
CE2
TYR
A
99
5.967
5.376
−4.173
1.00
14.75

C

ANISOU
761
CE2
TYR
A
99
1852
2221
1531
79
−21
38
C

ATOM
762
CD2
TYR
A
99
7.194
5.186
−3.558
1.00
12.92

C

ANISOU
762
CD2
TYR
A
99
1638
1964
1313
75
−19
34
C

ATOM
763
C
TYR
A
99
10.447
7.638
−0.930
1.00
16.54

C

ANISOU
763
C
TYR
A
99
2122
2338
1826
90
−45
1
C

ATOM
764
O
TYR
A
99
11.303
6.754
−1.023
1.00
16.93

O

ANISOU
764
O
TYR
A
99
2168
2384
1181
69
−37
4
O

ATOM
765
N
LYS
A
100
10.568
8.701
−0.133
1.00
17.03

N

ANISOU
765
N
LYS
A
100
2190
2380
1899
112
−85
−18
N

ATOM
766
CA
LYS
A
100
11.750
8.889
0.707
1.00
15.79

C

ANISOU
766
CA
LYS
A
100
2037
2198
1766
112
−81
−37
C

ATOM
767
CB
LYS
A
100
11.828
10.332
1.220
1.00
16.78

C

ANISOU
767
CB
LYS
A
100
2171
2290
1917
137
−113
−60
C

ATOM
768
CG
LYS
A
100
12.203
11.307
0.118
1.00
17.29

C

ANISOU
768
CG
LYS
A
100
2236
2310
2022
121
−118
−38
C

ATOM
769
CD
LYS
A
100
12.165
12.774
0.542
1.00
22.28

C

ANISOU
769
CD
LYS
A
100
2877
2898
2692
146
−157
−60
C

ATOM
770
CE
LYS
A
100
12.569
13.657
−0.622
1.00
31.55

C

ANISOU
770
CE
LYS
A
100
4047
4026
3913
124
−159
−23
C

ATOM
771
NZ
LYS
A
100
12.300
15.101
0.402
1.00
34.50

N

ANISOU
771
NZ
LYS
A
100
4428
4351
4328
148
−198
−38
N

ATOM
772
C
LYS
A
100
11.768
7.198
1.878
1.00
16.90

C

ANISOU
772
C
LYS
A
100
2172
2369
1880
121
−78
−49
C

ATOM
773
O
LYS
A
100
10.715
7.572
2.428
1.00
16.97

O

ANISOU
773
O
LYS
A
100
2174
2417
1855
142
−71
−48
O

ATOM
774
N
PHE
A
101
12.964
7.459
2.238
1.00
16.47

N

ANISOU
774
N
PHE
A
101
2117
2301
1841
108
−81
−56
N

ATOM
775
CA
PHE
A
101
13.143
6.686
3.459
1.00
16.24

C

ANISOU
775
CA
PHE
A
101
2083
2299
1790
122
−81
−67
C

ATOM
776
CB
PHE
A
101
13.199
5.169
3.186
1.00
15.68

C

ANISOU
776
CB
PHE
A
101
2003
2247
1708
97
−58
−42
C

ATOM
777
CG
PHE
A
101
14.400
4.732
2.370
1.00
15.68

C

ANISOU
777
CG
PHE
A
101
1924
2138
1653
66
−53
−36
C

ATOM
778
CD1
PHE
A
101
15.647
4.523
2.977
1.00
14.71

C

ANISOU
778
CD1
PHE
A
101
1881
2083
1624
63
−61
−49
C

ATOM
779
CE1
PHE
A
101
16.758
4.122
2.222
1.00
13.56

C

ANISOU
779
CE1
PHE
A
101
1733
1919
1500
38
−55
−42
C

ATOM
780
CZ
PHE
A
101
16.628
3.910
0.844
1.00
13.38

C

ANISOU
780
CZ
PHE
A
101
1709
1895
1480
20
−40
−23
C

ATOM
781
CE2
PHE
A
101
15.391
4.096
0.232
1.00
13.22

C

ANISOU
781
CE2
PHE
A
101
1690
1886
1445
24
−33
−13
C

ATOM
782
CD2
PHE
A
101
14.283
4.515
1.001
1.00
14.07

C

ANISOU
782
CD2
PHE
A
101
1801
2009
1537
44
−40
−19
C

ATOM
783
C
PHE
A
101
14.414
7.131
4.160
1.00
16.87

C

ANISOU
783
C
PHE
A
101
2166
2351
1893
128
−105
−94
C

ATOM
784
O
PHE
A
101
15.822
7.713
3.544
1.00
16.54

O

ANISOU
784
O
PHE
A
101
2126
2268
1892
108
−115
−94
O

ATOM
785
N
GLY
A
102
14.494
6.820
5.445
1.00
16.94

N

ANISOU
785
N
GLY
A
102
2172
2387
1877
157
−114
−112
N

ATOM
786
CA
GLY
A
102
15.667
7.169
6.223
1.00
17.72

C

ANISOU
786
CA
GLY
A
102
2272
2465
1995
169
−141
−144
C

ATOM
787
C
GLY
A
102
15.610
6.437
7.533
1.00
17.63

C

ANISOU
787
C
GLY
A
102
2256
2502
1942
202
−140
−153
C

ATOM
788
O
GLY
A
102
14.548
6.331
8.142
1.00
19.80

O

ANISOU
788
O
GLY
A
102
2526
2823
2175
236
−133
−148
O

ATOM
789
N
PHE
A
103
16.737
5.877
7.932
1.00
17.58

N

ANISOU
789
N
PHE
A
103
2246
2489
1944
194
−145
−159
N

ATOM
790
CA
PHE
A
103
16.890
5.187
9.186
1.00
18.92

C

ANISOU
790
CA
PHE
A
103
2409
2703
2076
227
−145
−165
C

ATOM
791
CB
PHE
A
103
16.550
3.707
9.110
1.00
18.68

C

ANISOU
791
CB
PHE
A
103
2371
2703
2024
209
109
−117
C

ATOM
792
CG
PHE
A
103
17.253
2.961
8.042
1.00
19.41

C

ANISOU
792
CG
PHE
A
103
2464
2761
2150
158
−94
−97
C

ATOM
793
CD1
PHE
A
103
18.396
2.269
8.311
1.00
17.41

C

ANISOU
793
CD1
PHE
A
103
2209
2500
1905
149
−96
−99
C

ATOM
794
CE1
PHE
A
103
19.006
1.591
7.332
1.00
19.78

C

ANISOU
794
CE1
PHE
A
103
2509
2774
2231
111
−83
−83
C

ATOM
795
CZ
PHE
A
103
18.493
1.562
6.107
1.00
18.51

C

ANISOU
795
CZ
PHE
A
103
2351
2598
2084
83
−69
−66
C

ATOM
796
CE2
PHE
A
103
17.342
2.189
5.839
1.00
20.60

C

ANISOU
796
CE2
PHE
A
103
2617
2871
2340
89
−66
−61
C

ATOM
797
CD2
PHE
A
103
16.721
2.877
6.794
1.00
16.53

C

ANISOU
797
CD2
PHE
A
103
2102
2379
1802
125
−78
−75
C

ATOM
798
C
PHE
A
103
18.312
5.375
9.085
1.00
19.74

C

ANISOU
798
C
PHE
A
103
2514
2783
2204
230
−173
−198
C

ATOM
799
O
PHE
A
103
19.176
5.672
8.938
1.00
20.07

O

ANISOU
799
O
PHE
A
103
2556
2779
2292
195
−181
−201
O

ATOM
800
N
GLU
A
104
18.505
5.262
10.992
1.00
21.94

N

ANISOU
800
N
GLU
A
104
2789
3099
2448
278
−190
−222
N

ATOM
801
CA
GLU
A
104
19.831
5.378
11.538
1.00
23.02

C

ANISOU
801
CA
GLU
A
104
2924
3219
2605
285
−219
−256
C

ATOM
802
O
GLU
A
104
20.390
4.036
11.902
1.00
23.12

O

ANISOU
802
C
GLU
A
104
2930
3259
2597
278
−196
−229
C

ATOM
803
O
GLU
A
104
19.693
3.182
12.267
1.00
24.06

O

ANISOU
803
O
GLU
A
104
3044
3422
2675
292
−169
−194
O

ATOM
804
CB
GLU
A
104
19.882
6.423
12.651
1.00
20.96

C

ANISOU
804
CB
GLU
A
104
2885
2969
2332
346
−268
−317
C

ATOM
805
CG
GLU
A
104
19.537
7.760
12.018
1.00
21.09

C

ANISOU
805
CG
GLU
A
104
2688
2034
3300
338
−295
−342
C

ATOM
806
CD
GLU
A
104
19.609
9.000
12.860
1.00
21.63

C

ANISOU
806
CD
GLU
A
104
2760
2991
2467
393
−355
−411
C

ATOM
807
OE1
GLU
A
104
20.236
9.001
13.973
1.00
21.96

O

ANISOU
807
OE1
GLU
A
104
2799
3055
2492
436
−388
−454
O

ATOM
808
OE2
GLU
A
104
19.051
10.013
12.382
1.00
21.75

O

ANISOU
808
OE2
GLU
A
104
2783
2971
2511
393
−374
−424
O

ATOM
809
N
LEU
A
105
21.673
3.866
11.682
1.00
19.45

N

ANISOU
809
N
LEU
A
105
2461
2761
2167
253
−207
−239
N

ATOM
810
CA
LEU
A
105
22.328
2.614
12.033
1.00
18.82

C

ANISOU
810
CA
LEU
A
105
2376
2703
2071
249
−190
−217
C

ATOM
811
CB
LEU
A
105
23.613
2.458
11.215
1.00
16.36

C

ANISOU
811
CB
LEU
A
105
2062
2349
1812
204
−192
−218
C

ATOM
812
CG
LEU
A
105
23.368
2.240
9.175
1.00
16.08

C

ANISOU
812
CG
LEU
A
105
2027
2282
1803
153
−164
−183
C

ATOM
813
CD1
LEU
A
105
24.686
2.260
8.954
1.00
15.79

C

ANISOU
813
CD1
LEU
A
105
1980
2210
1811
118
−168
−184
C

ATOM
814
CD2
LEU
A
105
22.619
0.933
9.471
1.00
19.84

C

ANISOU
814
CD2
LEU
A
105
2506
2782
2250
144
−128
−139
C

ATOM
815
C
LEU
A
105
22.636
2.568
13.540
1.00
19.16

C

ANISOU
815
C
LEU
A
105
2414
2792
2073
300
−213
−246
C

ATOM
816
O
LEU
A
105
22.722
3.616
14.187
1.00
20.74

O

ANISOU
816
O
LEU
A
105
2616
2994
2271
348
−253
−298
O

ATOM
817
N
PRO
A
106
22.785
1.356
14.105
1.00
19.87

N

ANISOU
817
N
PRO
A
106
2499
2920
2129
322
−192
−214
N

ATOM
818
CA
PRO
A
106
23.080
1.243
15.543
1.00
21.30

C

ANISOU
818
CA
PRO
A
106
2674
3155
2264
385
−211
−236
C

ATOM
819
CB
PRO
A
106
23.124
−0.269
15.797
1.00
23.06

C

ANISOU
819
CB
PRO
A
106
2891
3408
2463
381
−176
−178
C

ATOM
820
CG
PRO
A
106
23.117
−0.920
14.482
1.00
21.30

C

ANISOU
820
CG
PRO
A
106
2672
3136
2284
318
−149
−141
C

ATOM
821
CD
PRO
A
106
22.639
0.043
13.449
1.00
19.60

C

ANISOU
821
CD
PRO
A
106
2465
2882
2102
282
−152
−157
C

ATOM
822
C
PRO
A
106
24.397
1.911
15.960
1.00
22.74

C

ANISOU
822
C
PRO
A
106
2854
3314
2471
399
−258
−298
C

ATOM
823
O
PRO
A
106
25.307
2.084
15.131
1.00
20.42

O

ANISOU
823
O
PRO
A
106
2559
2965
2235
351
−266
−307
O

ATOM
824
N
GLN
A
107
24.465
2.300
17.233
1.00
24.40

N

ANISOU
824
N
GLN
A
107
3061
3572
2638
469
−289
−339
N

ATOM
825
CA
GLN
A
107
25.815
3.004
17.799
1.00
27.94

C

ANISOU
825
CA
GLN
A
107
3504
4003
3108
493
−345
−407
C

ATOM
826
CB
GLN
A
107
25.243
3.638
19.144
1.00
30.16

C

ANISOU
826
CB
GLN
A
107
3784
4344
3331
584
−383
−460
C

ATOM
827
CG
GLN
A
107
24.231
4.774
19.045
1.00
37.77

C

ANISOU
827
CG
GLN
A
107
4755
5300
4294
606
−4.3
−491
C

ATOM
828
CD
GLN
A
107
24.730
5.947
18.213
1.00
42.00

C

ANISOU
828
CD
GLN
A
107
5295
5746
4917
561
−444
−535
C

ATOM
829
OE1
GLN
A
107
25.007
6.358
18.317
1.00
49.29

O

ANISOU
829
OE1
GLN
A
107
6210
6629
5889
552
−489
−580
O

ATOM
830
NE2
GLN
A
107
23.851
6.497
17.388
1.00
46.32

N

ANISOU
830
NE2
GLN
A
107
5851
6262
5487
533
−431
−518
N

ATOM
831
C
GLN
A
107
26.845
2.121
17.985
1.00
28.68

C

ANISOU
831
C
GLN
A
107
3589
4097
3210
481
−343
−399
C

ATOM
832
O
GLN
A
107
27.979
2.607
17.941
1.00
30.56

O

ANISOU
832
O
GLN
A
107
3819
4297
3494
469
−381
−443
O

ATOM
833
N
GLY
A
108
26.627
0.831
18.206
1.00
27.31

N

ANISOU
833
N
GLY
A
108
3415
3965
2296
485
−300
−341
N

ATOM
834
CA
GLY
A
108
27.746
−0.077
18.457
1.00
29.40

C

ANISOU
834
CA
GLY
A
108
3673
4234
3263
482
−298
−331
C

ATOM
835
C
GLY
A
108
28.441
−0.504
17.173
1.00
27.68

C

ANISOU
835
C
GLY
A
108
3455
3955
3108
407
−280
−308
C

ATOM
836
O
GLY
A
108
28.165
0.053
16.098
1.00
28.67

O

ANISOU
836
O
GLY
A
108
3584
4033
3276
359
−274
−305
O

ATOM
837
N
PRO
A
109
29.353
−1.490
17.270
1.00
26.83

N

ANISOU
837
N
PRO
A
109
3342
3852
3001
404
−271
−290
N

ATOM
838
CA
PRO
A
109
29.916
−2.110
16.070
1.00
24.63

C

ANISOU
838
CA
PRO
A
109
3063
3527
2768
340
−248
−262
C

ATOM
839
CB
PRO
A
109
30.682
−3.313
15.628
1.00
25.25

C

ANISOU
839
CB
PRO
A
109
3137
3631
2825
360
−241
−243
C

ATOM
840
CG
PRO
A
109
31.019
−2.935
18.025
1.00
28.27

C

ANISOU
840
CG
PRO
A
109
3513
4061
3168
425
−275
−282
C

ATOM
841
CD
PRO
A
109
29.906
−2.067
18.510
1.00
27.15

C

ANISOU
841
CD
PRO
A
109
3376
3945
2996
457
−284
−297
C

ATOM
842
C
PRO
A
109
28.796
−2.575
15.130
1.00
22.07

C

ANISOU
842
C
PRO
A
109
2750
3189
2448
304
−207
−211
C

ATOM
843
O
PRO
A
109
27.734
−2.999
15.593
1.00
23.00

O

ANISOU
843
O
PRO
A
109
2873
3340
2527
326
−188
−178
C

ATOM
844
N
LEU
A
110
29.024
−2.471
13.825
1.00
19.90

N

ANISOU
844
N
LEU
A
110
2475
2867
2218
252
−196
−205
N

ATOM
845
CA
LEU
A
110
28.003
−2.850
12.841
1.00
17.33

C

ANISOU
845
CA
LEU
A
110
2159
2526
1899
219
−164
−165
C

ATOM
846
CB
LEU
A
110
28.068
−1.923
11.626
1.00
17.44

C

ANISOU
846
CB
LEU
A
110
2172
2500
1956
178
−164
−165
C

ATOM
847
CG
LEU
A
110
27.170
−0.474
11.960
1.00
19.52

C

ANISOU
847
CG
LEU
A
110
2433
2757
2226
191
−193
−213
C

ATOM
848
CD1
LEU
A
110
27.724
0.370
10.702
1.00
18.51

C

ANISOU
848
CD1
LEU
A
110
2302
2588
2144
149
−191
−212
C

ATOM
849
CD2
LEU
A
110
28.350
−0.421
12.082
1.00
18.44

C

ANISOU
849
CD2
LEU
A
110
2307
2656
2045
225
−186
−203
C

ATOM
850
C
LEU
A
110
28.102
−4.309
12.398
1.00
18.09

C

ANISOU
850
C
LEU
A
110
2259
2817
1997
202
−139
−125
C

ATOM
851
O
LEU
A
110
27.283
−4.795
11.613
1.00
17.74

O

ANISOU
851
O
LEU
A
110
2222
2558
1960
177
−118
−94
O

ATOM
852
N
GLY
A
111
29.112
−5.003
12.896
1.00
20.89

N

ANISOU
852
N
GLY
A
111
2609
2981
2347
218
−147
−128
N

ATOM
853
CA
GLY
A
111
29.279
−6.408
12.586
1.00
20.77

C

ANISOU
853
CA
GLY
A
111
2599
2957
2337
209
−130
−94
C

ATOM
854
C
GLY
A
111
30.677
−6.860
12.923
1.00
22.26

C

ANISOU
854
C
GLY
A
111
2779
8150
2529
224
−144
−111
C

ATOM
855
O
GLY
A
111
31.461
−6.113
13.527
1.00
21.40

O

ANISOU
855
O
GLY
A
111
2660
3055
2416
243
−167
−148
O

ATOM
856
N
THR
A
112
30.985
−8.090
12.531
1.00
23.58

N

ANISOU
856
N
THR
A
112
2950
3302
2705
217
−134
−88
N

ATOM
857
CA
THR
A
112
32.319
−8.630
12.737
1.00
24.53

C

ANISOU
857
CA
THR
A
112
3064
3426
2830
232
−146
−102
C

ATOM
858
CB
THR
A
112
32.315
−9.862
13.685
1.00
24.33

C

ANISOU
858
CB
THR
A
112
3043
3417
2784
264
−144
−68
C

ATOM
859
OG1
THR
A
112
31.425
−10.868
13.192
1.00
29.42

O

ANISOU
859
OG1
THR
A
112
3700
4036
3444
247
−129
−25
O

ATOM
860
OG2
THR
A
112
31.872
−9.465
15.080
1.00
26.35

O

ANISOU
860
OG2
THR
A
112
3295
3717
2999
303
−149
−61
O

ATOM
861
C
THR
A
112
32.971
−8.966
11.404
1.00
25.02

C

ANISOU
861
C
THR
A
112
3124
3460
2922
205
−140
−111
C

ATOM
862
O
THR
A
112
32.314
−8.959
10.353
1.00
23.91

O

ANISOU
862
O
THR
A
112
2990
3298
2797
178
−127
−102
O

ATOM
863
N
SER
A
113
34.274
−9.222
11.453
1.00
26.50

N

ANISOU
863
N
SER
A
113
3299
3653
3115
217
−151
−130
N

ATOM
864
CA
SER
A
113
35.017
−9.675
10.287
1.00
27.90

C

ANISOU
864
CA
SER
A
113
3470
3816
3312
203
−146
−136
C

ATOM
865
CB
SER
A
113
35.714
−8.500
9.598
1.00
29.26

C

ANISOU
865
CB
SER
A
113
3620
3993
3504
182
−147
−160
C

ATOM
866
OG
SER
A
113
36.674
−7.902
10.455
1.00
33.63

O

ANISOU
866
OG
SER
A
113
4154
4565
4061
196
−158
−188
O

ATOM
867
C
SER
A
113
36.030
−10.735
10.704
1.00
28.35

C

ANISOU
867
C
SER
A
113
3525
3881
3364
231
−155
−138
C

ATOM
868
O
SER
A
113
36.548
−10.702
11.818
1.00
26.81

O

ANISOU
868
O
SER
A
113
3324
3708
3155
257
−168
−145
O

ATOM
869
N
PHE
A
114
36.288
−11.682
9.807
1.00
29.97

N

ANISOU
869
N
PHE
A
114
3736
4070
3580
232
−150
−135
N

ATOM
870
CA
PHE
A
114
37.235
−12.761
10.065
1.00
30.88

C

ANISOU
870
CA
PHE
A
114
3851
4189
3694
261
−161
−138
C

ATOM
871
CB
PHE
A
114
36.601
−14.120
9.729
1.00
30.63

C

ANISOU
871
CB
PHE
A
114
3842
4123
3672
268
−163
−116
C

ATOM
872
CG
PHE
A
114
37.540
−15.295
9.865
1.00
29.22

C

ANISOU
872
CG
PHE
A
114
3666
3939
3497
300
−177
−121
C

ATOM
873
CD1
PHE
A
114
38.157
−15.585
11.077
1.00
28.78

C

ANISOU
873
CD1
PHE
A
114
3605
3901
3427
328
−186
−112
C

ATOM
874
CE1
PHE
A
114
39.022
−16.673
11.204
1.00
27.15

C

ANISOU
874
CE1
PHE
A
114
3402
3690
3225
360
−200
−115
C

ATOM
875
CZ
PHE
A
114
39.255
−17.502
10.112
1.00
28.25

C

ANISOU
875
CZ
PHE
A
114
3549
3803
3382
367
−208
−130
C

ATOM
876
CE2
PHE
A
114
38.629
−17.230
8.897
1.00
26.78

C

ANISOU
876
CE2
PHE
A
114
3367
3602
3207
343
−200
−143
C

ATOM
877
CD2
PHE
A
114
37.771
−16.133
8.783
1.00
29.02

C

ANISOU
877
CD2
PHE
A
114
3647
3892
3486
308
184
135
C

ATOM
878
C
PHE
A
114
38.497
−12.526
9.246
1.00
32.98

C

ANISOU
878
C
PHE
A
114
4094
4472
3968
263
−161
−164
C

ATOM
879
O
PHE
A
114
38.433
−12.359
8.024
1.00
33.06

O

ANISOU
879
O
PHE
A
114
4099
4478
3984
248
−150
−170
O

ATOM
880
N
LYS
A
115
39.637
−12.499
9.942
1.00
36.23

N

ANISOU
880
N
LYS
A
115
4487
4907
4372
284
−173
−178
N

ATOM
881
CA
LYS
A
115
40.962
−12.243
9.347
1.00
39.29

C

ANISOU
881
CA
LYS
A
115
4843
5319
4767
289
−174
−199
C

ATOM
882
CB
LYS
A
115
41.500
−13.483
8.515
1.00
39.97

C

ANISOU
882
CB
LYS
A
115
4935
5404
4850
315
−173
−203
C

ATOM
883
CG
LYS
A
115
41.652
−14.724
9.494
1.00
42.17

C

ANISOU
883
CG
LYS
A
115
5233
5670
5119
350
−189
−197
C

ATOM
884
CD
LYS
A
115
42.605
−15.754
8.896
1.00
44.83

C

ANISOU
884
CD
LYS
A
115
5565
6013
5454
384
−196
−212
C

ATOM
885
CE
LYS
A
115
42.035
−16.445
7.665
1.00
47.11

C

ANISOU
885
CE
LYS
A
115
5873
6277
5750
387
−194
−216
C

ATOM
886
NZ
LYS
A
115
42.245
−15.647
6.423
1.00
52.92

N

ANISOU
886
NZ
LYS
A
115
6585
7040
6481
372
−175
−228
N

ATOM
887
C
LYS
A
115
41.001
−11.015
8.430
1.00
40.18

C

ANISOU
887
C
LYS
A
115
4930
5439
4896
255
−161
−201
C

ATOM
888
O
LYS
A
115
41.734
−11.002
7.436
1.00
42.29

O

ANISOU
888
O
LYS
A
115
5175
5725
5169
255
−151
−204
O

ATOM
889
N
GLY
A
116
40.212
−9.996
8.771
1.00
41.02

N

ANISOU
889
N
GLY
A
116
5041
5535
5011
230
−162
−198
N

ATOM
890
CA
GLY
A
116
40.135
−8.747
8.000
1.00
41.75

C

ANISOU
890
CA
GLY
A
116
5111
5627
5125
196
−152
−194
C

ATOM
891
C
GLY
A
116
39.952
−8.968
6.511
1.00
41.97

C

ANISOU
891
C
GLY
A
116
5136
5658
5151
187
−129
−181
C

ATOM
892
O
GLY
A
116
40.610
−8.320
5.696
1.00
43.05

O

ANISOU
892
O
GLY
A
116
5240
5814
5303
174
−118
−173
O

ATOM
893
N
LYS
A
117
39.055
−9.887
6.159
1.00
41.58

N

ANISOU
893
N
LYS
A
117
5121
5592
5085
197
−123
−176
N

ATOM
894
CA
LYS
A
117
38.894
−10.341
4.780
1.00
41.03

C

ANISOU
894
CA
LYS
A
117
5053
5528
5008
202
−107
−173
C

ATOM
895
CB
LYS
A
117
39.888
−11.476
4.495
1.00
41.75

C

ANISOU
895
CB
LYS
A
117
5141
5639
5088
240
−113
−187
C

ATOM
896
CG
LYS
A
117
39.938
−11.971
3.056
1.00
43.68

C

ANISOU
896
CG
LYS
A
117
5382
5900
5316
260
−102
−193
C

ATOM
897
CD
LYS
A
117
40.841
−13.196
2.951
1.00
45.10

C

ANISOU
897
CD
LYS
A
117
5561
6092
5482
306
−115
−214
C

ATOM
898
CE
LYS
A
117
41.033
−13.645
1.514
1.00
51.12

C

ANISOU
898
CE
LYS
A
117
6317
6884
6223
338
−107
−227
C

ATOM
899
NZ
LYS
A
117
38.803
−14.260
0.935
1.00
52.33

N

ANISOU
899
NZ
LYS
A
117
6506
7002
6374
342
−118
−240
N

ATOM
900
C
LYS
A
117
37.463
−10.811
4.529
1.00
39.51

C

ANISOU
900
C
LYS
A
117
4896
5304
4809
196
−107
−167
C

ATOM
901
O
LYS
A
117
36.879
−10.509
3.487
1.00
40.34

O

ANISOU
901
O
LYS
A
117
5003
5411
4912
186
−94
−163
O

ATOM
902
N
TYR
A
118
36.905
−11.546
5.489
1.00
36.68

N

ANISOU
902
N
TYR
A
118
4564
4922
4452
204
−120
−164
N

ATOM
903
CA
TYR
A
118
35.548
−12.070
5.385
1.00
34.97

C

ANISOU
903
CA
TYR
A
118
4376
4673
4238
196
−122
−152
C

ATOM
904
CB
TYR
A
118
35.507
−13.553
5.779
1.00
34.43

C

ANISOU
904
CB
TYR
A
118
4327
4580
4176
220
−140
−150
C

ATOM
905
CG
TYR
A
118
36.444
−14.452
4.998
1.00
34.15

C

ANISOU
905
CG
TYR
A
118
4288
4549
4138
251
−150
−174
C

ATOM
906
CD1
TYR
A
118
36.087
−14.941
3.738
1.00
34.12

C

ANISOU
906
CD1
TYR
A
118
4293
4536
4136
260
−155
−191
C

ATOM
907
CE1
TYR
A
118
36.940
−15.773
3.020
1.00
32.66

C

ANISOU
907
CE1
TYR
A
118
4105
4361
3945
298
−167
−218
C

ATOM
908
CZ
TYR
A
118
38.165
−16.129
3.561
1.00
33.92

C

ANISOU
908
CZ
TYR
A
118
4252
4538
4097
324
−172
−225
C

ATOM
909
OH
TYR
A
118
39.012
−16.954
2.851
1.00
37.83

O

ANISOU
909
OH
TYR
A
118
4744
5048
4583
368
−185
−255
O

ATOM
910
CE2
TYR
A
118
38.542
−15.662
4.812
1.00
31.94

C

ANISOU
910
CE2
TYR
A
118
3992
4296
3847
312
−167
−207
C

ATOM
911
CD2
TYR
A
118
37.679
−14.830
5.523
1.00
31.31

C

ANISOU
911
CD2
TYR
A
118
3917
4207
3773
277
−157
−183
C

ATOM
912
C
TYR
A
118
34.628
−11.278
6.305
1.00
34.20

C

ANISOU
912
C
TYR
A
118
4285
4570
4141
175
−119
−135
C

ATOM
913
O
TYR
A
118
34.696
−11.424
7.528
1.00
34.64

O

ANISOU
913
O
TYR
A
118
4343
4627
4191
185
−127
−127
O

ATOM
914
N
GLY
A
119
33.789
−10.428
5.721
1.00
33.08

N

ANISOU
914
N
GLY
A
119
4143
4424
4001
150
−108
−130
N

ATOM
915
CA
GLY
A
119
32.771
−9.700
6.485
1.00
31.86

C

ANISOU
915
CA
GLY
A
119
3996
4265
3844
136
−106
−116
C

ATOM
916
C
GLY
A
119
31.666
−10.641
6.931
1.00
31.26

C

ANISOU
916
C
GLY
A
119
3940
4169
3769
138
−109
−94
C

ATOM
917
O
GLY
A
119
31.179
−11.451
6.139
1.00
33.35

O

ANISOU
917
O
GLY
A
119
4215
4412
4045
135
−112
−91
O

ATOM
918
N
CYS
A
120
31.279
−10.540
8.200
1.00
27.91

N

ANISOU
918
N
CYS
A
120
3518
3753
3334
147
−111
−77
N

ATOM
919
CA
CYS
A
120
30.325
−11.479
8.806
1.00
27.80

C

ANISOU
919
CA
CYS
A
120
3514
3725
3322
151
−113
−42
C

ATOM
920
CB
CYS
A
120
30.723
−11.778
10.252
1.00
28.82

C

ANISOU
920
CB
CYS
A
120
3640
3876
3434
179
−118
−25
C

ATOM
921
SG
CYS
A
120
32.293
−12.608
10.439
1.00
33.12

S

ANISOU
921
SG
CYS
A
120
4182
4422
3981
205
−131
−42
S

ATOM
922
C
CYS
A
120
28.905
−10.954
8.813
1.00
25.26

C

ANISOU
922
C
CYS
A
120
3195
3403
2998
133
−103
−21
C

ATOM
923
O
CYS
A
120
28.052
−11.474
9.533
1.00
24.91

O

ANISOU
923
O
CYS
A
120
3152
3360
2953
137
−100
16
O

ATOM
924
N
VAL
A
121
28.651
−9.911
8.032
1.00
24.46

N

ANISOU
924
N
VAL
A
121
3092
3305
2897
115
−96
−41
N

ATOM
925
CA
VAL
A
121
27.342
−9.276
8.042
1.00
23.10

C

ANISOU
925
CA
VAL
A
121
2922
3137
2719
102
−87
−26
C

ATOM
926
CB
VAL
A
121
27.307
−8.110
9.087
1.00
23.95

C

ANISOU
926
CB
VAL
A
121
3023
3274
2802
117
−87
−33
C

ATOM
927
CG1
VAL
A
121
28.159
−6.915
8.636
1.00
25.86

C

ANISOU
927
CG1
VAL
A
121
3258
3518
3050
110
−92
−70
C

ATOM
928
CG2
VAL
A
121
25.886
−7.705
9.433
1.00
26.49

C

ANISOU
928
CG2
VAL
A
121
3346
3609
3112
115
−78
−10
C

ATOM
929
C
VAL
A
121
26.937
−8.827
6.632
1.00
21.70

C

ANISOU
929
C
VAL
A
121
2746
2944
2553
79
−82
−40
C

ATOM
930
O
VAL
A
121
27.792
−8.468
5.808
1.00
22.78

O

ANISOU
930
O
VAL
A
121
2879
3082
2604
76
−81
−63
O

ATOM
931
N
ASP
A
122
25.635
−8.891
6.358
1.00
18.08

N

ANISOU
931
N
ASP
A
122
2419
2605
2226
65
−77
−21
N

ATOM
932
CA
ASP
A
122
25.061
−8.367
5.115
1.00
18.63

C

ANISOU
932
CA
ASP
A
122
2364
2540
2174
48
−72
−32
C

ATOM
933
CB
ASP
A
122
24.420
−9.487
4.301
1.00
18.92

C

ANISOU
933
CB
ASP
A
122
2405
2551
2231
40
−82
−27
C

ATOM
934
CG
ASP
A
122
25.442
−10.339
3.564
1.00
27.60

C

ANISOU
934
CG
ASP
A
122
3508
3637
3340
51
−94
−50
C

ATOM
935
OD1
ASP
A
122
26.423
−9.783
3.010
1.00
35.84

O

ANISOU
935
OD1
ASP
A
122
4548
4698
4372
59
−88
−73
O

ATOM
936
OD2
ASP
A
122
25.253
−11.572
3.524
1.00
35.31

O

ANISOU
936
OD2
ASP
A
122
4490
4586
4340
54
−112
−45
O

ATOM
937
C
ASP
A
122
24.005
−7.314
5.422
1.00
15.86

C

ANISOU
937
C
ASP
A
122
2010
2203
1811
41
−64
−22
C

ATOM
938
O
ASP
A
122
23.055
−7.591
6.159
1.00
18.30

O

ANISOU
938
O
ASP
A
122
2318
2519
2117
44
−61
5
O

ATOM
939
N
TYR
A
123
24.185
−6.109
4.874
1.00
12.94

N

ANISOU
939
N
TYR
A
123
1640
1841
1438
36
−59
−39
N

ATOM
940
CA
TYR
A
123
23.205
−5.035
4.994
1.00
12.39

C

ANISOU
940
CA
TYR
A
123
1569
1779
1358
32
−54
−35
C

ATOM
941
CB
TYR
A
123
23.869
−3.759
5.505
1.00
13.03

C

ANISOU
941
CB
TYR
A
123
1645
1868
1436
40
−59
−54
C

ATOM
942
CG
TYR
A
123
24.159
−3.754
6.987
1.00
13.59

C

ANISOU
942
CG
TYR
A
123
1714
1956
1493
65
−69
−58
C

ATOM
943
CD1
TYR
A
123
25.319
−4.339
7.493
1.00
17.75

C

ANISOU
943
CD1
TYR
A
123
2238
2486
2021
76
−77
−66
C

ATOM
944
CE1
TYR
A
123
25.595
−4.315
8.860
1.00
14.98

C

ANISOU
944
CE1
TYR
A
123
1884
2156
1651
104
−87
−72
C

ATOM
945
CZ
TYR
A
123
24.697
−3.708
9.731
1.00
13.73

C

ANISOU
945
CZ
TYR
A
123
1726
2022
1469
126
−90
−70
C

ATOM
946
OH
TYR
A
123
24.949
−3.683
11.076
1.00
16.89

O

ANISOU
946
OH
TYR
A
123
2122
2453
1842
164
−102
−77
O

ATOM
947
CE2
TYR
A
123
23.546
−3.110
9.249
1.00
16.43

C

ANISOU
947
CE2
TYR
A
123
2071
2362
1810
116
−82
−62
C

ATOM
948
CD2
TYR
A
123
23.281
−3.137
7.884
1.00
11.68

C

ANISOU
948
CD2
TYR
A
123
1473
1734
1230
84
−72
−56
C

ATOM
949
C
TYR
A
123
22.524
−4.745
3.658
1.00
13.00

C

ANISOU
949
C
TYR
A
123
1649
1849
1442
16
−48
−36
C

ATOM
950
O
TYR
A
123
23.171
−4.681
2.604
1.00
12.65

O

ANISOU
950
O
TYR
A
123
1604
1801
1403
12
−45
−47
O

ATOM
951
N
TRP
A
124
21.216
−4.540
3.718
1.00
11.37

N

ANISOU
951
N
TRP
A
124
1443
1646
1229
12
−44
−22
N

ATOM
952
CA
TRP
A
124
20.440
−4.295
2.510
1.00
11.56

C

ANISOU
952
CA
TRP
A
124
1469
1666
1256
1
−40
−22
C

ATOM
953
CB
TRP
A
124
20.224
−5.589
1.712
1.00
12.88

C

ANISOU
953
CB
TRP
A
124
1638
1820
1437
−5
−48
−23
C

ATOM
954
CG
TRP
A
124
19.828
−6.824
2.500
1.00
13.33

C

ANISOU
954
CG
TRP
A
124
1692
1865
1508
−7
−58
−3
C

ATOM
955
CD1
TRP
A
124
20.619
−7.908
2.760
1.00
15.81

C

ANISOU
955
CD1
TRP
A
124
2007
2163
1836
−2
−68
−5
C

ATOM
956
NE1
TRP
A
124
19.914
−8.856
3.456
1.00
17.07

N

ANISOU
956
NE1
TRP
A
124
2160
2311
2015
−8
−75
26
N

ATOM
957
CE2
TRP
A
124
18.635
−8.402
3.664
1.00
17.54

C

ANISOU
957
CE2
TRP
A
124
2210
2383
2071
−17
−68
48
C

ATOM
958
CD2
TRP
A
124
18.539
−7.125
3.061
1.00
16.74

C

ANISOU
958
CD2
TRP
A
124
2114
2299
1947
−15
−58
27
C

ATOM
959
CE3
TRP
A
124
17.322
−6.435
3.132
1.00
14.75

C

ANISOU
959
CE3
TRP
A
124
1656
2084
1686
−19
−50
41
C

ATOM
960
CZ3
TRP
A
124
16.250
−7.031
3.802
1.00
15.44

C

ANISOU
960
Cz3
TRP
A
124
1926
2155
1784
−25
−50
79
C

ATOM
961
CH2
TRP
A
124
16.370
−8.310
4.376
1.00
18.85

C

ANISOU
961
CH2
TRP
A
124
2350
2571
2242
−30
−58
107
C

ATOM
962
CZ2
TRP
A
124
17.555
−9.003
4.334
1.00
17.24

C

ANISOU
962
CZ2
TRP
A
124
2157
2346
2050
−25
−68
91
C

ATOM
963
C
TRP
A
124
19.125
−3.617
2.807
1.00
12.26

C

ANISOU
963
C
TRP
A
124
1556
1766
1335
1
−36
−10
C

ATOM
964
O
TRP
A
124
18.673
−3.579
3.962
1.00
12.08

O

ANISOU
964
O
TRP
A
124
1529
1758
1302
11
−35
4
O

ATOM
965
N
VAL
A
125
18.540
−3.056
1.752
1.00
11.91

N

ANISOU
965
N
VAL
A
125
1514
1722
1290
−6
−33
−13
N

ATOM
966
CA
VAL
A
125
17.182
−2.539
1.781
1.00
10.71

C

ANISOU
966
CA
VAL
A
125
1359
1581
1130
−6
−30
−2
C

ATOM
967
CB
VAL
A
125
17.146
−1.022
1.488
1.00
9.25

C

ANISOU
967
CG
VAL
A
125
1177
1398
938
−1
−26
−10
C

ATOM
968
CG1
VAL
A
125
15.706
−0.513
1.444
1.0
14.24

C

ANISOU
968
CG1
VAL
A
125
1807
2045
1560
3
−24
0
C

ATOM
969
CG2
VAL
A
125
17.950
−0.262
2.538
1.00
13.57

C

ANISOU
969
CG2
VAL
A
125
1725
1945
1485
12
−32
−21
C

ATOM
970
C
VAL
A
125
16.377
−3.275
0.725
1.00
12.42

C

ANISOU
970
C
VAL
A
125
1572
1792
1354
−17
−34
2
C

ATOM
971
O
VAL
A
125
16.791
−3.358
−0.432
1.00
13.66

O

ANISOU
971
O
VAL
A
125
1733
1944
1513
−19
−36
−13
O

ATOM
972
N
LYS
A
126
15.256
−3.845
1.148
1.00
12.64

N

ANISOU
972
N
LYS
A
126
1591
1825
1388
−23
−37
21
N

ATOM
973
CA
LYS
A
126
14.258
−4.378
0.233
1.00
12.33

C

ANISOU
973
CA
LYS
A
126
1544
1779
1361
−34
−47
23
C

ATOM
974
CB
LYS
A
126
13.782
−5.754
0.701
1.00
11.84

C

ANISOU
974
CB
LYS
A
126
1468
1702
1328
−47
−60
44
C

ATOM
975
CG
LYS
A
126
14.795
−6.875
0.554
1.00
15.71

C

ANISOU
975
CG
LYS
A
126
1964
2164
1840
−49
−74
32
C

ATOM
976
CD
LYS
A
126
14.282
−8.167
1.163
1.00
17.48

C

ANISOU
976
CD
LYS
A
126
2173
2367
2103
−63
−89
62
C

ATOM
977
CE
LYS
A
126
15.301
−9.285
1.006
1.00
18.43

C

ANISOU
977
CE
LYS
A
126
2301
2455
2247
−62
−108
46
C

ATOM
978
NZ
LYS
A
126
14.900
−10.558
1.686
1.00
26.13

N

ANISOU
978
NZ
LYS
A
126
3259
3400
3268
−76
−125
83
N

ATOM
979
C
LYS
A
126
13.069
−3.435
0.197
1.00
12.87

C

ANISOU
979
C
LYS
A
126
1607
1869
1415
−30
−39
32
C

ATOM
980
O
LYS
A
126
12.720
−2.832
1.210
1.00
13.54

O

ANISOU
980
O
LYS
A
126
1687
1973
1485
−20
−29
47
O

ATOM
981
N
ALA
A
127
12.449
−3.297
−0.965
1.00
12.72

N

ANISOU
981
N
ALA
A
127
1587
1850
1396
−33
−45
22
N

ATOM
982
CA
ALA
A
127
11.186
−2.589
−1.039
1.00
14.13

C

ANISOU
982
CA
ALA
A
127
1756
2048
1563
−30
−41
32
C

ATOM
983
CB
ALA
A
127
11.335
−1.271
−1.778
1.00
13.83

C

ANISOU
983
CB
ALA
A
127
1732
2019
1504
−17
−33
19
C

ATOM
984
C
ALA
A
127
10.162
−3.486
−1.707
1.00
14.15

C

ANISOU
984
C
ALA
A
127
1744
2046
1588
−43
−59
35
C

ATOM
985
O
ALA
A
127
10.519
−4.376
−2.487
1.00
14.10

O

ANISOU
985
O
ALA
A
127
1740
2019
1600
−49
−78
15
O

ATOM
986
N
PHE
A
128
8.895
−3.246
−1.375
1.00
14.70

N

ANISOU
986
N
PHE
A
128
1795
2134
1656
−45
−56
56
N

ATOM
987
CA
PHE
A
128
7.784
−4.076
−1.799
1.00
14.62

C

ANISOU
987
CA
PHE
A
128
1761
2119
1675
−61
−76
65
C

ATOM
988
CB
PHE
A
128
7.252
−4.866
−0.598
1.00
15.43

C

ANISOU
988
CB
PHE
A
128
1836
2224
1803
−76
−74
109
C

ATOM
989
CG
PHE
A
128
8.287
−5.755
0.031
1.00
17.61

C

ANISOU
989
CG
PHE
A
128
2117
2474
2098
−83
−76
117
C

ATOM
990
CD1
PHE
A
128
8.534
−7.022
−0.484
1.00
20.31

C

ANISOU
990
CD1
PHE
A
128
2457
2776
2485
−101
−105
107
C

ATOM
991
CE1
PHE
A
128
9.512
−7.841
0.079
1.00
21.80

C

ANISOU
991
CE1
PHE
A
128
2652
2940
2692
−104
−109
113
C

ATOM
992
CZ
PHE
A
128
10.257
−7.388
1.161
1.00
18.43

C

ANISOU
992
CZ
PHE
A
128
2234
2534
2235
−90
−83
129
C

ATOM
993
CE2
PHE
A
128
10.025
−6.121
1.683
1.00
19.33

C

ANISOU
993
CE2
PHE
A
128
2351
2689
2305
−71
−57
134
C

ATOM
994
CD2
PHE
A
128
9.046
−5.307
1.111
1.00
18.45

C

ANISOU
994
CD2
PHE
A
128
2285
2590
2178
−67
−54
128
O

ATOM
995
C
PHE
A
128
6.696
−3.194
−2.364
1.00
15.06

C

ANISOU
995
C
PHE
A
128
1810
2200
1712
−52
−73
63
C

ATOM
996
O
PHE
A
128
6.332
−2.196
−1.745
1.00
16.23

O

ANISOU
996
O
PHE
A
128
1958
2375
1833
−37
−54
77
O

ATOM
997
N
LEU
A
129
6.204
−3.565
−3.544
1.00
14.75

N

ANISOU
997
N
LEU
A
129
1767
2154
1685
−56
−96
41
N

ATOM
998
CA
LEU
A
129
5.145
−2.832
−4.229
1.00
14.63

C

ANISOU
998
CA
LEU
A
129
1743
2163
1652
−45
−98
36
C

ATOM
999
CB
LEU
A
129
5.522
−2.618
−5.703
1.00
13.75

C

ANISOU
999
CB
LEU
A
129
1650
2051
1528
−29
−110
−2
C

ATOM
1000
CG
LEU
A
129
4.580
−1.804
−6.593
1.00
19.23

C

ANISOU
1000
CG
LEU
A
129
2341
2772
2193
−11
−112
−10
C

ATOM
1001
CD1
LEU
A
129
4.537
−0.344
−6.196
1.00
20.62

C

ANISOU
1001
CD1
LEU
A
129
2529
2970
2336
6
−83
7
C

ATOM
1002
CD2
LEU
A
129
5.008
−1.932
−8.054
1.00
21.89

C

ANISOU
1002
CD2
LEU
A
129
2691
3114
2514
9
−129
−47
C

ATOM
1003
C
LEU
A
129
3.868
−3.649
−4.137
1.00
15.39

C

ANISOU
1003
C
LEU
A
129
1803
2259
1785
−66
−118
54
C

ATOM
1004
O
LEU
A
129
3.734
−4.663
−4.824
1.00
16.29

O

ANISOU
1004
O
LEU
A
129
1907
2347
1935
−79
−151
35
O

ATOM
1005
N
ASP
A
130
2.946
−3.203
−3.289
1.00
16.25

N

ANISOU
1005
N
ASP
A
130
1889
2397
1888
−65
−101
91
N

ATOM
1006
CA
ASP
A
130
1.690
−3.905
−3.041
1.00
18.40

C

ANISOU
1006
CA
ASP
A
130
2117
2676
2198
−86
−116
122
C

ATOM
1007
CB
ASP
A
130
1.274
−3.769
−1.567
1.00
18.32

C

ANISOU
1007
CB
ASP
A
130
2081
2698
2180
−85
−88
177
C

ATOM
1008
CG
ASP
A
130
2.230
−4.467
−0.614
1.00
23.83

C

ANISOU
1008
CG
ASP
A
130
2784
3377
2893
−94
−79
198
C

ATOM
1009
OD1
ASP
A
130
2.922
−5.418
−1.030
1.00
2553

O

ANISOU
1009
OD1
ASP
A
130
3009
3547
3145
−113
−102
181
O

ATOM
1010
OD2
ASP
A
130
2.281
−4.067
0.566
1.00
31.21

O

ANISOU
1010
OD2
ASP
A
130
3713
4346
3801
−77
−51
230
O

ATOM
1011
C
ASP
A
130
0.589
−3.334
−3.921
1.00
18.50

C

ANISOU
1011
C
ASP
A
130
2118
2713
2199
−77
−126
108
C

ATOM
1012
O
ASP
A
130
0.412
−2.119
−4.001
1.00
17.91

O

ANISOU
1012
O
ASP
A
130
2059
2669
2079
−49
−106
102
O

ATOM
1013
N
ARG
A
131
−0.140
−4.221
−4.583
1.00
19.24

N

ANISOU
1013
N
ARG
A
131
2183
2788
2337
−97
−162
100
N

ATOM
1014
CA
ARG
A
131
−1.235
−3.826
−5.452
1.00
22.82

C

ANISOU
1014
CA
ARG
A
131
2621
3264
2785
−88
−179
84
C

ATOM
1015
CB
ARG
A
131
0.775
−3.797
−6.919
1.00
21.56

C

ANISOU
1015
CB
ARG
A
131
2490
3091
2610
−70
−205
24
C

ATOM
1016
CG
ARG
A
131
0.224
−2.678
−7.236
1.00
20.07

C

ANISOU
1016
CG
ARG
A
131
2347
2917
2360
−37
−175
6
C

ATOM
1017
CD
ARG
A
131
0.522
−2.584
−8.721
1.00
22.03

C

ANISOU
1017
CD
ARG
A
131
2616
3168
2586
−11
−197
−42
C

ATOM
1018
NE
ARG
A
131
1.133
−3.803
−9.236
1.00
22.36

N

ANISOU
1018
NE
ARG
A
131
2660
3175
2659
−19
−232
−76
N

ATOM
1019
CZ
ARG
A
131
1.175
−4.133
−10.522
1.00
24.26

C

ANISOU
1019
CZ
ARG
A
131
2907
3420
2891
5
−266
−124
C

ATOM
1020
NH1
ARG
A
131
0.627
−3.345
−11.442
1.00
26.71

N

ANISOU
1020
NH1
ARG
A
131
3220
3768
3161
35
−266
−139
N

ATOM
1021
NH2
ARG
A
131
1.748
−5.271
−10.887
1.00
25.46

N

ANISOU
1021
MH2
ARG
A
131
3062
3539
3074
3
−302
−159
N

ATOM
1022
C
ARG
A
131
−2.386
−4.803
−5.260
1.00
26.15

C

ANISOU
1022
C
ARG
A
131
2988
3679
3270
−121
−206
114
C

ATOM
1023
O
ARG
A
131
−2.154
−6.009
−5.142
1.00
27.17

O

ANISOU
1023
O
ARG
A
131
3101
3763
3458
−151
−234
120
O

ATOM
1024
N
PRO
A
132
−3.630
−4.285
−5.202
1.00
30.69

N

ANISOU
1024
N
PRO
A
132
3530
4294
3837
−117
−201
136
N

ATOM
1025
CA
PRO
A
132
−4.815
−5.127
−4.984
1.00
34.57

C

ANISOU
1025
CA
PRO
A
132
3959
4784
4393
−150
−225
174
C

ATOM
1026
CB
PRO
A
132
−5.977
−4.131
−5.102
1.00
34.75

C

ANISOU
1026
CB
PRO
A
132
3961
4865
4379
−128
−211
184
C

ATOM
1027
CG
PRO
A
132
−5.385
−2.808
−4.790
1.00
34.96

C

ANISOU
1027
CG
PRO
A
132
4033
4924
4326
−86
−167
175
C

ATOM
1028
CD
PRO
A
132
−3.990
−2.861
−5.341
1.00
28.92

C

ANISOU
1028
CD
PRO
A
132
3322
4119
3547
−79
−173
129
C

ATOM
1029
C
PRO
A
132
−4.959
−6.236
−6.027
1.00
37.74

C

ANISOU
1029
C
PRO
A
132
4348
5134
4860
−174
−287
133
C

ATOM
1030
O
PRO
A
132
4.792
5.982
7.226
1.00
38.92

O

ANISOU
1030
O
PRO
A
132
4525
5279
4985
−151
−312
71
O

ATOM
1031
N
SER
A
133
−5.262
−7.449
−5.557
1.00
41.02

N

ANISOU
1031
N
SER
A
133
4719
5510
5358
−217
−314
170
N

ATOM
1032
CA
SER
A
133
−5.409
−8.654
−6.398
1.00
43.53

C

ANISOU
1032
CA
SER
A
133
5018
5765
5755
−243
−384
132
C

ATOM
1033
CB
SER
A
133
−6.802
−8.707
−7.057
1.00
44.85

C

ANISOU
1033
CB
SER
A
133
5137
5946
5959
−253
−422
125
C

ATOM
1034
OG
SER
A
133
−6.938
−7.735
−8.084
1.00
49.30

O

ANISOU
1034
OG
SER
A
133
5733
6548
6452
−209
−422
66
O

ATOM
1035
C
SER
A
133
−4.293
−8.821
−7.436
1.00
42.97

C

ANISOU
1035
C
SER
A
133
5004
5662
5662
−216
−412
50
C

ATOM
1036
O
SER
A
133
−4.542
−9.118
−8.605
1.00
44.85

O

ANISOU
1036
O
SER
A
133
5244
5883
5915
−204
464
12
O

ATOM
1037
N
GLN
A
134
−3.057
−8.626
−6.988
1.00
4164

N

ANISOU
1037
N
GLN
A
134
4879
5489
5453
−202
−377
50
N

ATOM
1038
CA
GLN
A
134
−1.886
−8.692
−7.854
1.00
39.52

C

ANISOU
1038
CA
GLN
A
134
4662
5200
5153
−172
−392
−17
C

ATOM
1039
CB
GLN
A
134
−1.658
−7.335
−8.524
1.00
38.94

C

ANISOU
1039
CB
GLN
A
134
4626
5181
4987
−127
−359
−47
C

ATOM
1040
CG
GLN
A
134
−1.023
−7.413
−9.902
1.00
43.42

C

ANISOU
1040
CG
GLN
A
134
5227
5745
5526
−89
−391
−122
C

ATOM
1041
CD
GLN
A
134
−1.757
−6.567
−10.930
1.00
46.29

C

ANISOU
1041
CD
GLN
A
134
5591
6155
5843
−56
−396
−151
C

ATOM
1042
OE1
GLN
A
134
−2.140
−5.425
−10.658
1.00
47.98

O

ANISOU
1042
OE1
GLN
A
134
5808
6413
6010
−45
−354
−120
O

ATOM
1043
NE2
GLN
A
134
−1.956
−7.125
−12.120
1.00
45.50

N

ANISOU
1043
NE2
GLN
A
134
5488
6047
5753
−35
−452
−213
N

ATOM
1044
C
GLN
A
134
−0.678
−9.088
−7.009
1.00
36.72

C

ANISOU
1044
C
GLN
A
134
4331
4819
4801
−180
−369
4
C

ATOM
1045
O
GLN
A
134
−0.592
−8.692
−5.848
1.00
36.44

O

ANISOU
1045
O
GLN
A
134
4291
4806
4750
−189
−322
62
O

ATOM
1046
N
PRO
A
135
0.239
−9.904
−7.571
1.00
34.71

N

ANISOU
1046
N
PRO
A
135
4100
4519
4567
−173
−405
−45
N

ATOM
1047
CA
PRO
A
135
1.428
−10.288
−6.808
1.00
32.11

C

ANISOU
1047
CA
PRO
A
135
3794
4166
4240
−177
−384
−27
C

ATOM
1048
CB
PRO
A
135
2.183
−11.209
−7.771
1.00
33.47

C

ANISOU
1048
CB
PRO
A
135
3987
4293
4436
−160
−438
−97
C

ATOM
1049
CG
PRO
A
135
1.153
−11.679
−8.743
1.00
35.63

C

ANISOU
1049
CG
PRO
A
135
4234
4550
4754
−162
−500
−138
C

ATOM
1050
CD
PRO
A
135
0.226
−10.529
−8.908
1.00
35.11

C

ANISOU
1050
CD
PRO
A
135
4157
4544
4639
−153
−469
−121
C

ATOM
1051
C
PRO
A
135
2.287
−9.076
−6.436
1.00
28.81

C

ANISOU
1051
C
PRO
A
135
3414
3795
3737
−149
−322
−18
C

ATOM
1052
O
PRO
A
135
2.511
−8.186
−7.259
1.00
26.79

O

ANISOU
1052
O
PRO
A
135
3185
3574
3421
−116
−310
−55
O

ATOM
1053
N
THR
A
136
2.733
−9.042
−5.188
1.00
25.84

N

ANISOU
1053
N
THR
A
136
3038
3421
3359
−163
−286
33
N

ATOM
1054
CA
THR
A
136
3.658
8.010
−4.717
1.00
23.33

C

ANISOU
1054
CA
THR
A
136
2754
3136
2974
−139
−235
38
C

ATOM
1055
CB
THR
A
136
3.875
−8.135
−3.188
1.00
23.10

C

ANISOU
1055
CB
THR
A
136
2713
3112
2953
−154
−203
99
C

ATOM
1056
OG1
THR
A
136
2.640
−7.849
−2.515
1.00
26.28

O

ANISOU
1056
OG1
THR
A
136
3076
3546
3362
−166
−188
151
O

ATOM
1057
CG2
THR
A
136
4.961
−7.177
−2.674
1.00
21.17

C

ANISOU
1057
CG2
THR
A
136
2504
2893
2647
−129
−162
96
C

ATOM
1058
C
THR
A
136
4.970
−8.144
−5.476
1.00
22.58

C

ANISOU
1058
C
THR
A
136
2697
3025
2856
−116
−245
−14
C

ATOM
1059
O
THR
A
136
5.439
−9.258
−5.707
1.00
24.58

O

ANISOU
1059
O
THR
A
136
2953
3236
3152
−122
−280
−36
O

ATOM
1060
N
GLN
A
137
5.546
−7.013
−5.878
1.00
18.35

N

ANISOU
1060
N
GLN
A
137
2191
2525
2258
−87
−215
−32
N

ATOM
1061
CA
GLN
A
137
6.844
−7.004
−6.546
1.00
17.69

C

ANISOU
1061
CA
GLN
A
137
2139
2437
2146
−62
−215
−71
C

ATOM
1062
CB
GLN
A
137
6.842
−6.028
−7.724
1.00
15.67

C

ANISOU
1062
CB
GLN
A
137
1897
2219
1837
−29
−207
−130
C

ATOM
1063
CG
GLN
A
137
5.764
−6.351
−8.768
1.00
16.99

C

ANISOU
1063
CG
GLN
A
137
2048
2391
2016
−21
−246
−130
C

ATOM
1064
CD
GLN
A
137
6.043
−5.804
−10.155
1.00
17.94

C

ANISOU
1064
CD
GLN
A
137
2185
2546
2084
21
−249
−168
C

ATOM
1065
OE1
GLN
A
137
7.015
−5.079
−10.377
1.00
17.13

O

ANISOU
1065
OE1
GLN
A
137
2104
2467
1938
43
−218
−164
O

ATOM
1066
NE2
GLN
A
137
5.177
−6.158
−11.107
1.00
18.74

N

ANISOU
1066
NE2
GLN
A
137
2274
2655
2193
35
−289
−203
N

ATOM
1067
C
GLN
A
137
7.902
−6.614
−5.528
1.00
16.27

C

ANISOU
1067
C
GLN
A
137
1974
2260
1947
−63
−178
−45
C

ATOM
1068
O
GLN
A
137
7.632
−5.820
−4.629
1.00
16.62

O

ANISOU
1068
O
GLN
A
137
2015
2324
1975
−68
−148
−10
O

ATOM
1069
N
GLU
A
138
9.100
−7.171
−5.666
1.00
15.78

N

ANISOU
1069
N
GLU
A
138
1930
2180
1887
−54
−185
−67
N

ATOM
1070
CA
GLU
A
138
10.188
−6.849
−4.743
1.00
15.59

C

ANISOU
1070
CA
GLU
A
138
1920
2158
1848
−54
−155
−47
C

ATOM
1071
CB
GLU
A
138
10.633
−8.108
−3.987
1.00
16.95

C

ANISOU
1071
CB
GLU
A
138
2086
2292
2063
−70
−172
−37
C

ATOM
1072
CG
GLU
A
138
11.790
−7.875
−3.019
1.00
19.80

C

ANISOU
1072
CG
GLU
A
138
2460
2655
2407
−66
−145
−21
C

ATOM
1073
CD
GLU
A
138
12.323
−9.152
−2.386
1.00
26.17

C

ANISOU
1073
CD
GLU
A
138
3264
3426
3255
−77
−163
−12
C

ATOM
1074
OE1
GLU
A
138
11.552
−10.124
−2.226
1.00
32.76

O

ANISOU
1074
OE1
GLU
A
138
4078
4230
4139
−96
−189
4
O

ATOM
1075
OE2
GLU
A
138
13.524
−9.171
−2.035
1.00
26.52

O

ANISOU
1075
OE2
GLU
A
138
3322
3470
3284
−65
−151
−18
O

ATOM
1076
C
GLU
A
138
11.390
−6.245
−5.469
1.00
15.40

C

ANISOU
1076
C
GLU
A
138
1918
2152
1783
−28
−140
−73
C

ATOM
1077
O
GLU
A
138
11.664
−6.583
−6.614
1.00
14.67

O

ANISOU
1077
O
GLU
A
138
1831
2063
1680
−7
−159
−109
O

ATOM
1078
N
THR
A
139
12.101
−5.349
−4.789
1.00
14.35

N

ANISOU
1078
N
THR
A
139
1794
2031
1627
−26
−108
−54
N

ATOM
1079
CA
THR
A
139
13.428
−4.929
−5.219
1.00
13.48

C

ANISOU
1079
CA
THR
A
139
1697
1932
1491
−8
−94
−67
C

ATOM
1080
CB
THR
A
139
13.415
−3.518
−5.888
1.00
14.79

C

ANISOU
1080
CB
THR
A
139
1869
2129
1624
6
−72
−60
C

ATOM
1081
OG1
THR
A
139
14.709
−3.210
−6.419
1.00
16.20

O

ANISOU
1081
OG1
THR
A
139
2052
2319
1783
22
−59
−65
O

ATOM
1082
CG2
THR
A
139
12.988
−2.427
−4.912
1.00
15.33

C

ANISOU
1082
CG2
THR
A
139
1936
2199
1691
−4
−53
−33
C

ATOM
1083
C
THR
A
139
14.376
−5.022
−4.015
1.00
14.40

C

ANISOU
1083
C
THR
A
139
1818
2036
1617
−17
−81
−51
C

ATOM
1084
O
THR
A
139
13.943
−4.928
−2.873
1.00
15.71

O

ANISOU
1084
O
THR
A
139
1978
2197
1793
−30
−74
−27
O

ATOM
1085
N
LYS
A
140
15.654
−5.253
−4.274
1.00
13.10

N

ANISOU
1085
N
LYS
A
140
1660
1870
1445
−5
−79
−66
N

ATOM
1086
CA
LYS
A
140
16.635
−5.351
−3.195
1.00
13.58

C

ANISOU
1086
CA
LYS
A
140
1724
1921
1513
−10
−69
−55
C

ATOM
1087
CB
LYS
A
140
16.921
−6.821
−2.870
1.00
14.79

C

ANISOU
1087
CB
LYS
A
140
1877
2048
1694
−13
−92
−64
C

ATOM
1088
CG
LYS
A
140
17.912
−7.063
−1.734
1.00
15.28

C

ANISOU
1088
CG
LYS
A
140
1941
2102
1762
−14
−84
−53
C

ATOM
1089
CD
LYS
A
140
18.314
−8.544
−1.653
1.00
16.37

C

ANISOU
1089
CD
LYS
A
140
2080
2211
1927
−12
−109
−63
C

ATOM
1090
CE
LYS
A
140
19.368
−8.752
−0.559
1.00
18.12

C

ANISOU
1090
CE
LYS
A
140
2305
2429
2151
−9
−100
−52
C

ATOM
1091
NZ
LYS
A
140
19.639
−10.192
−0.261
1.00
22.57

N

ANISOU
1091
NZ
LYS
A
140
2869
2961
2747
−8
−125
−53
N

ATOM
1092
C
LYS
A
140
17.915
−4.646
−3.603
1.00
14.38

C

ANISOU
1092
C
LYS
A
140
1829
2040
1596
3
53
60
C

ATOM
1093
O
LYS
A
140
18.376
−4.815
−4.731
1.00
15.92

O

ANISOU
1093
O
LYS
A
140
2023
2250
1776
21
−55
−76
O

ATOM
1094
N
LYS
A
141
18.493
−3.876
−2.682
1.00
13.67

N

ANISOU
1094
N
LYS
A
141
1738
1949
1506
−3
−39
−45
N

ATOM
1095
CA
LYS
A
141
19.793
−3.273
−2.927
1.00
14.96

C

ANISOU
1095
CA
LYS
A
141
1898
2123
1663
3
−26
−45
C

ATOM
1096
CB
LYS
A
141
19.660
−1.801
−3.350
1.00
16.46

C

ANISOU
1096
CB
LYS
A
141
2084
2324
1848
2
−12
−29
C

ATOM
1097
CG
LYS
A
141
20.969
−1.196
−3.914
1.00
15.49

C

ANISOU
1097
CG
LYS
A
141
1948
2213
1724
7
1
−18
C

ATOM
1098
CD
LYS
A
141
20.759
0.138
−4.625
1.00
22.03

C

ANISOU
1098
CD
LYS
A
141
2769
3051
2552
6
14
7
C

ATOM
1099
CE
LYS
A
141
20.497
−0.039
−6.124
1.00
25.54

C

ANISOU
1099
CE
LYS
A
141
3209
3528
2969
26
23
12
C

ATOM
1100
NZ
LYS
A
141
20.320
1.262
−6.852
1.00
24.01

N

ANISOU
1100
NZ
LYS
A
141
3005
3345
2274
27
38
45
N

ATOM
1101
C
LYS
A
141
20.654
−3.389
−1.673
1.00
14.05

C

ANISOU
1101
C
LYS
A
141
1782
1996
1580
−1
−27
−43
C

ATOM
1102
O
LYS
A
141
20.224
−3.026
−0.573
1.00
14.35

O

ANISOU
1102
O
LYS
A
141
1823
2028
1603
−7
−28
−35
O

ATOM
1103
N
ASN
A
142
21.875
−3.880
−1.847
1.00
13.21

N

ANISOU
1103
N
ASN
A
142
1672
1893
1455
7
−27
−52
N

ATOM
1104
CA
ASN
A
142
22.827
−3.042
−0.743
1.00
14.45

C

ANISOU
1104
CA
ASN
A
142
1826
1893
1455
7
−27
−52
C

ATOM
1105
CB
ASN
A
142
23.991
−4.882
−1.085
1.00
16.18

C

ANISOU
1105
CB
ASN
A
142
2041
2267
1840
19
−33
−66
C

ATOM
1106
CG
ASN
A
142
23.546
−6.295
−1.109
1.00
23.25

C

ANISOU
1106
CG
ASN
A
142
2947
3151
2737
28
−49
−80
C

ATOM
1107
CD1
ASN
A
142
22.664
−6.844
−0.773
1.00
25.80

C

ANISOU
1107
CD1
ASN
A
142
3276
3455
3072
19
−60
−74
O

ATOM
1108
ND2
ASN
A
142
24.188
−0.6899
−2.402
1.00
34.69

C

ANISOU
1108
ND2
ASN
A
142
4393
4613
4177
48
−53
−98
N

ATOM
1109
C
ASN
A
142
23.390
−2.582
−0.433
1.00
14.49

C

ANISOU
1109
C
ASN
A
142
1821
2049
1034
−1
−22
−44
C

ATOM
1110
O
ASN
A
142
23.441
−1.697
−1.303
1.00
14.43

O

ANISOU
1110
O
ASN
A
142
1806
2050
1827
−4
−12
−33
O

ATOM
1111
N
PHE
A
143
23.822
−2.363
0.810
1.00
14.33

N

ANISOU
1111
N
PHE
A
143
1800
2021
1822
−1
−30
−48
N

ATOM
1112
CA
PHE
A
143
24.876
−1.220
1.140
1.00
15.17

C

ANISOU
1112
CA
PHE
A
143
1804
2122
1747
−6
−33
−48
C

ATOM
1113
CB
PHE
A
143
23.896
−0.028
1.737
1.00
16.04

C

ANISOU
1113
CB
PHE
A
143
2009
2222
1864
−8
−41
−49
C

ATOM
1114
CG
PHE
A
143
23.238
−0.205
3.075
1.00
13.48

C

ANISOU
1114
CG
PHE
A
143
1666
1901
1528
6
−52
−60
C

ATOM
1115
CD1
PHE
A
143
23.919
−0.033
4.265
1.00
12.43

C

ANISOU
1115
CD1
PHE
A
143
1568
1767
1397
10
−69
−78
C

ATOM
1116
CC1
PHE
A
143
20.306
0.246
5.500
1.00
14.10

C

ANISOU
1116
CB1
PHE
A
143
1787
2003
1597
41
−77
−84
C

ATOM
1117
CZ
PHE
A
143
21.982
−0.723
5.564
1.00
14.09

C

ANISOU
1117
CZ
PHE
A
143
1783
2007
1564
45
−66
−67
C

ATOM
1118
CE2
PHE
A
143
21.284
−0.983
4.379
1.00
13.05

C

ANISOU
1118
CE2
PHE
A
143
1654
1869
1435
27
−52
−51

ATOM
1119
CD2
PHE
A
143
21.914
−0.759
3.138
1.00
12.47

C

ANISOU
1119
CD2
PHE
A
143
1578
1783
1379
10
−46
−51
C

ATOM
1120
C
PHE
A
143
25.873
−1.662
1.968
1.00
15.77

C

ANISOU
1120
C
PHE
A
143
1963
2199
1831
1
−42
−60
C

ATOM
1121
O
PHE
A
143
25.840
−2.733
2.577
1.00
15.91

O

ANISOU
1121
O
PHE
A
143
1990
2219
1837
11
−45
−67
O

ATOM
1122
N
GLU
A
144
28.938
−0.862
1.936
1.00
15.50

N

ANISOU
1122
N
GLU
A
144
10000
2160
1810
−6
−46
−60
C

ATOM
1123
CA
GLU
A
144
28.198
−1.218
2.568
1.00
15.79

C

ANISOU
1123
CA
GLU
A
144
2081
2327
1992
0
−56
−71
C

ATOM
1124
CB
GLU
A
144
29.377
−0.859
1.662
1.00
17.59

C

ANISOU
1124
CB
GLU
A
144
2134
2437
2114
−10
−47
−56
C

ATOM
1125
CG
GLU
A
144
29.338
−1.484
0.283
1.00
22.50

C

ANISOU
1125
CG
GLU
A
144
2752
3082
2714
−4
−24
−40
C

ATOM
1126
CD
GLU
A
144
30.050
−2.822
0.203
1.00
30.77

C

ANISOU
1126
CD
GLU
A
144
3801
4140
3743
16
−22
−53
C

ATOM
1127
CE1
GLU
A
144
30.216
−3.320
−0.933
1.00
34.79

O

ANISOU
1127
CE1
GLU
A
144
4305
4682
4234
29
−8
−46
O

ATOM
1128
CE2
GLU
A
144
30.448
−3.375
1.253
1.00
35.30

O

ANISOU
1128
CE2
GLU
A
144
4391
4724
4328
23
−36
−70
O

ATOM
1129
C
GLU
A
144
28.361
−0.483
3.886
1.00
16.22

C

ANISOU
1129
C
GLU
A
144
1987
2242
1934
4
−80
−90
C

ATOM
1130
O
GLU
A
144
27.920
0.562
4.037
1.00
14.53

O

ANISOU
1130
O
VAL
A
144
1771
2011
1737
−1
−91
−93
O

ATOM
1131
N
VAL
A
145
26.988
−1.157
4.545
1.00
17.37

N

ANISOU
1131
N
VAL
A
145
2132
2395
2071
20
−91
−106
N

ATOM
1132
OA
VAL
A
145
20.270
−0.558
8.138
1.00
17.41

C

ANISOU
1132
OA
VAL
A
145
2136
2397
2085
34
−119
−132
C

ATOM
1133
OB
VAL
A
145
28.383
−1.143
7.287
1.00
17.07

C

ANISOU
1133
OB
VAL
A
145
2112
2370
2003
52
−133
−19
C

ATOM
1134
CG1
VAL
A
145
26.898
−0.907
7.026
1.00
17.27

C

ANISOU
1134
CG1
VAL
A
145
2152
2305
2013
50
−111
−125
C

ATOM
1135
CG2
VAL
A
145
28.563
−2.639
7.521
1.00
20.41

C

ANISOU
1135
CG2
VAL
A
145
2541
2808
2404
73
−112
−128
C

ATOM
1136
C
VAL
A
145
30.743
−0.688
6.527
1.00
17.77

C

ANISOU
1136
C
VAL
A
145
2159
2445
2148
37
−133
−145
C

ATOM
1137
O
VAL
A
145
31.464
−1.571
6.042
1.00
19.13

O

ANISOU
1137
O
VAL
A
145
2324
2628
2315
35
−120
−135
O

ATOM
1138
N
VAL
A
146
31.164
0.207
7.411
1.00
18.13

N

ANISOU
1138
N
VAL
A
146
2195
2480
2215
45
−165
−172
N

ATOM
1139
CA
VAL
A
146
32.415
0.053
8.146
1.00
20.29

C

ANISOU
1139
CA
VAL
A
146
2449
2759
2500
56
−188
−184
C

ATOM
1140
CB
VAL
A
146
33.372
1.266
7.947
1.00
21.48

C

ANISOU
1140
CB
VAL
A
146
2566
2883
2713
34
−215
−203
C

ATOM
1141
CG1
VAL
A
146
33.951
1.236
6.540
1.00
24.63

C

ANISOU
1141
CG1
VAL
A
146
2941
3281
3137
2
−186
−163
C

ATOM
1142
CG2
VAL
A
146
32.866
2.607
8.239
1.00
23.03

C

ANISOU
1142
CG2
VAL
A
146
2766
3048
2936
32
−243
−221
C

ATOM
1143
C
VAL
A
146
32.105
−0.221
9.623
1.00
21.15

C

ANISOU
1143
C
VAL
A
146
2573
2887
2574
96
−209
−223
C

ATOM
1144
O
VAL
A
146
30.994
−0.646
9.950
1.00
21.00

O

ANISOU
1144
O
VAL
A
146
2654
2959
2593
113
−196
−214
O

ATOM
1145
N
ASP
A
147
33.087
−0.006
10.497
1.00
22.23

N

ANISOU
1145
N
ASP
A
147
2695
3028
2724
113
−241
−255
N

ATOM
1146
CA
ASP
A
147
32.919
−0.244
11.937
1.00
23.94

C

ANISOU
1146
CA
ASP
A
147
2923
3273
2902
151
−253
−284
C

ATOM
1147
CB
ASP
A
147
31.879
0.712
12.534
1.00
24.21

C

ANISOU
1147
CB
ASP
A
147
2969
3305
3924
183
−284
−307
C

ATOM
1148
CG
ASP
A
147
32.341
2.170
12.496
1.00
29.21

C

ANISOU
1148
CG
ASP
A
147
3584
3899
3616
171
−328
−344
C

ATOM
1149
OD1
ASP
A
147
33.540
2.426
12.496
1.00
29.21

O

ANISOU
1149
OD1
ASP
A
147
4208
4587
4301
167
−359
−569
O

ATOM
1150
OD2
ASP
A
147
31.518
3.060
12.206
1.00
28.74

O

ANISOU
1150
OD2
ASP
A
147
3532
3818
3571
164
−335
−347
O

ATOM
1151
C
ASP
A
147
82.620
−1.708
12.257
1.00
23.58

C

ANISOU
1151
C
ASP
A
147
2894
3260
2805
181
−235
−257
C

ATOM
1152
O
ASP
A
147
31.813
−2.030
13.148
1.00
22.04

O

ANISOU
1152
O
ASP
A
147
2790
3169
2642
215
−233
−254
O

ATOM
1153
N
LEU
A
148
33.282
−2.589
11.513
1.00
24.69

N

ANISOU
1153
N
LEU
A
148
3029
3397
2955
162
−213
−234
N

ATOM
1154
CA
LEU
A
148
33.304
−4.006
11.826
1.00
25.04

C

ANISOU
1154
CA
LEU
A
148
3085
3463
2966
181
−196
−212
C

ATOM
1155
CB
LEU
A
148
33.463
−4.040
10.557
1.00
24.63

C

ANISOU
1155
CB
LEU
A
148
3035
3397
2927
155
−168
−185
C

ATOM
1156
CG
LEU
A
148
32.507
−4.469
9.373
1.00
25.66

C

ANISOU
1156
CG
LEU
A
148
3174
3508
3065
125
−146
−163
C

ATOM
1157
CD1
LEU
A
148
32.702
−5.706
8.310
1.00
27.87

C

ANISOU
1157
CD2
LEU
A
148
3457
3784
3348
115
−126
−146
C

ATOM
1158
CD2
LEU
A
148
31.053
−4.702
9.797
1.00
25.03

C

ANISOU
1158
CD2
LEU
A
148
3116
3433
2962
133
−138
−148
C

ATOM
1159
C
LEU
A
148
34.487
4.262
12.744
1.00
25.98

C

ANISOU
1159
C
LEU
A
148
3190
3601
3079
210
−220
−236
C

ATOM
1160
O
LEU
A
148
35.542
−3.653
12.586
1.00
27.87

O

ANISOU
1160
O
LEU
A
148
3406
3832
3353
199
−240
−260
O

ATOM
1161
N
VAL
A
149
34.309
−5.105
13.696
1.00
26.05

N

ANISOU
1161
N
VAL
A
149
3210
3639
3049
247
−218
−225
N

ATOM
1162
CA
VAL
A
149
35.383
−5.519
14.623
1.00
27.02

C

ANISOU
1162
CA
VAL
A
149
3321
3786
3158
281
−240
−245
C

ATOM
1163
CB
VAL
A
149
34.967
−5.282
16.103
1.00
27.95

C

ANISOU
1163
CB
VAL
A
149
3445
3944
3232
334
−260
−261
C

ATOM
1164
CG1
VAL
A
149
34.751
−3.783
16.361
1.00
30.33

C

ANISOU
1164
CG1
VAL
A
149
3738
4289
3548
337
−292
−307
C

ATOM
1165
CG2
VAL
A
149
33.720
−6.079
16.459
1.00
27.05

C

ANISOU
1165
CG2
VAL
A
149
3349
3850
3077
351
−231
−213
C

ATOM
1166
C
VAL
A
149
35.796
−6.970
14.376
1.00
27.59

C

ANISOU
1166
C
VAL
A
149
3400
3861
3223
284
−220
−214
C

ATOM
1167
O
VAL
A
149
35.008
−7.752
13.858
1.00
26.43

O

ANISOU
1167
O
VAL
A
149
3269
3700
3071
271
−184
−177
O

ATOM
1168
N
ASP
A
150
37.032
−7.325
14.721
1.00
28.28

N

ANISOU
1168
N
ASP
A
150
3473
3961
3313
302
−235
−231
N

ATOM
1169
CA
ASP
A
150
37.494
−8.708
14.560
1.00
29.84

C

ANISOU
1169
CA
ASP
A
150
3676
4159
3503
312
−221
−206
C

ATOM
1170
CB
ASP
A
150
38.954
−8.851
14.990
1.00
31.10

C

ANISOU
1170
CB
ASP
A
150
3815
4337
3666
334
−244
−233
C

ATOM
1171
CG
ASP
A
150
39.498
−10242
14.725
1.00
33.13

C

ANISOU
1171
CG
ASP
A
150
4078
4592
3920
346
−232
−210
C

ATOM
1172
OD1
ASP
A
150
39.749
−10.985
15.702
1.00
37.42

O

ANISOU
1172
OD1
ASP
A
150
4625
5157
4435
386
−240
−201
O

ATOM
1173
OD2
ASP
A
150
39.646
−10.605
13.541
1.00
36.95

O

ANISOU
1173
OD2
ASP
A
150
4561
5053
4425
321
−216
−202
O

ATOM
1174
C
ASP
A
150
36.617
−9.672
15.362
1.00
31.71

C

ANISOU
1174
C
ASP
A
150
3934
4411
3705
341
209
−165
C

ATOM
1175
O
ASP
A
150
35.070
−9.296
16.407
1.00
31.70

O

ANISOU
1175
O
ASP
A
150
3935
4439
3672
371
−217
−165
O

ATOM
1176
N
VAL
A
151
36.487
−10.905
14.869
1.00
32.74

N

ANISOU
1176
N
VAL
A
151
4077
4251
3843
33
−193
−132
N

ATOM
1177
CA
VAL
A
151
35.629
−11.907
15.508
1.00
34.76

C

ANISOU
1177
CA
VAL
A
151
4347
4780
4078
355
−181
−81
C

ATOM
1178
CB
VAL
A
151
35.521
−13.218
14.679
1.00
35.15

C

ANISOU
1178
CB
VAL
A
151
4410
4790
4157
339
−171
−51
C

ATOM
1179
CG1
VAL
A
151
34.672
−12.992
13.442
1.00
33.19

C

ANISOU
1179
CG1
VAL
A
151
4169
4506
3934
296
−158
−50
C

ATOM
1180
CG2
VAL
A
151
36.905
−13.772
14.310
1.00
36.08

C

ANISOU
1180
CG2
VAL
A
151
4522
4902
4287
350
−183
−76
C

ATOM
1181
C
VAL
A
151
36.038
−12.221
16.951
1.00
36.97

C

ANISOU
1181
C
VAL
A
151
4622
5105
4321
408
−193
−72
C

ATOM
1182
O
VAL
A
151
35.181
−12.525
17.788
1.00
37.10

O

ANISOU
1182
O
VAL
A
151
4843
5145
4309
431
−183
−30
O

ATOM
1183
N
ASN
A
152
37.338
−12.128
17.228
1.00
38.52

N

ANISOU
1183
N
ASN
A
152
4805
5317
4514
428
−213
−108
N

ATOM
1184
CA
ASN
A
152
37.888
−12.424
18.555
1.00
41.25

C

ANISOU
1184
CA
ASN
A
152
5144
5707
4821
483
−228
−107
C

ATOM
1185
CB
ASN
A
152
39.136
−13.311
18.436
1.00
41.39

C

ANISOU
1185
CB
ASN
A
152
5156
5718
4850
497
−208
−112
C

ATOM
1186
CG
ASN
A
152
38.850
−14.637
17.740
1.00
43.11

C

ANISOU
1186
CG
ASN
A
152
5391
5894
5094
481
−220
−67
C

ATOM
1187
OD1
ASN
A
152
39.647
−15.113
15.038
1.00
46.22

O

ANISOU
1187
OD1
ASN
A
152
5784
6263
5514
470
−224
−84
O

ATOM
1188
ND2
ASN
A
152
37.705
−15.285
18.055
1.00
45.53

N

ANISOU
1188
ND2
ASN
A
152
5711
6193
5395
483
−204
−10
N

ATOM
1189
C
ASN
A
152
38.197
−11.176
19.388
1.00
43.00

C

ANISOU
1189
C
ASN
A
152
5350
5970
5017
510
−255
−157
C

ATOM
1190
O
ASN
A
152
39.061
−11.207
20.273
1.00
44.17

O

ANISOU
1190
O
ASN
A
152
5487
6155
5141
554
−278
−180
O

ATOM
1191
N
THR
A
153
37.491
−10.083
19.104
1.00
44.04

N

ANISOU
1191
N
THR
A
153
5483
6095
5157
488
−255
−176
N

ATOM
1192
CA
THR
A
153
37.646
−8.850
19.875
1.00
45.86

C

ANISOU
1192
CA
THR
A
153
5099
6355
5368
510
−288
−232
C

ATOM
1193
CB
THR
A
153
37.055
−7.619
19.133
1.00
46.24

C

ANISOU
1193
CB
THR
A
153
5747
6372
5448
474
−292
−259
C

ATOM
1194
OG1
THR
A
153
37.583
−6.409
19.721
1.00
49.27

O

ANISOU
1194
OG1
THR
A
153
6115
6771
5835
496
−336
−323
O

ATOM
1195
OG2
THR
A
153
35.526
−7.618
19.175
1.00
47.28

C

ANISOU
1195
OG2
THR
A
153
5897
6512
5557
474
−266
−220
C

ATOM
1196
C
THR
A
153
37.042
−0.016
21.282
1.00
47.06

C

ANISOU
1196
C
THR
A
153
5855
6570
5455
582
−291
−214
C

ATOM
1197
O
THR
A
153
35.944
−9.565
21.424
1.00
47.52

O

ANISOU
1197
O
THR
A
153
5926
6640
5491
584
−261
−156
O

ATOM
1198
N
PRO
A
154
37.776
−5.580
22.324
1.00
47.90

N

ANISOU
1198
N
PRO
A
154
5948
6721
5530
636
−328
−260
N

ATOM
1199
CA
PRO
A
154
37.306
−8.607
23.708
1.00
48.84

C

ANISOU
1199
CA
PRO
A
154
6066
6913
5576
712
−333
−247
C

ATOM
1200
CB
PRO
A
154
38.571
−8.438
24.539
1.00
48.83

C

ANISOU
1200
CB
PRO
A
154
6061
6960
5572
761
−379
−307
C

ATOM
1201
CG
PRO
A
154
39.718
−8.410
23.546
1.00
49.02

C

ANISOU
1201
CG
PRO
A
154
6062
6913
5851
705
−391
−336
C

ATOM
1202
CD
PRO
A
154
39.113
−7.968
22.263
1.00
48.60

C

ANISOU
1202
CD
PRO
A
154
6017
6799
5651
632
−369
−327
C

ATOM
1203
C
PRO
A
154
36.227
−7.672
24.059
1.00
49.62

C

ANISOU
1203
C
PRO
A
154
6168
7037
5848
732
−340
−267
C

ATOM
1204
O
PRO
A
154
36.003
−6.723
23.306
1.00
50.12

O

ANISOU
1204
O
PRO
A
154
6233
7056
5754
688
−350
−303
O

TER
1205

PRO
A
154

ATOM
1206
O3
GOL
B
801
−3.025
−3.577
−12.710
1.00
44.54

O

ATOM
1207
O3
GOL
B
801
−3.402
−2.313
−12.299
1.00
36.94

C

ATOM
1208
O2
GOL
B
801
−4.757
−2.391
−11.453
1.00
41.03

C

ATOM
1209
O2
GOL
B
801
−5.084
−1.082
−11.035
1.00
35.83

O

ATOM
1210
O1
GOL
B
801
−4.534
−3.278
−10.233
1.00
38.42

C

ATOM
1211
O1
GOL
B
801
−3.628
−2.665
−9.338
1.00
39.09

O

ATOM
1212
O
HOH
W
1
5.282
6.266
14.269
1.00
19.09

O

ATOM
1213
O
HOH
W
2
2.523
−5.418
−7.260
1.00
20.15

O

ATOM
1214
O
HOH
W
3
2.770
3.452
0.548
1.00
18.28

O

ATOM
1215
O
HOH
W
4
21.737
3.884
−5.163
1.00
21.87

O

ATOM
1216
O
HOH
W
5
27.077
1.545
0.429
1.00
19.29

O

ATOM
1217
O
HOH
W
6
25.178
4.461
−0.427
1.00
19.60

O

ATOM
1218
O
HOH
W
7
16.833
−1.660
−6.116
1.00
22.34

O

ATOM
1219
O
HOH
W
8
8.395
10.707
0.394
1.00
23.36

O

ATOM
1220
O
HOH
W
9
0.444
−6.981
−3.997
1.00
25.13

O

ATOM
1221
O
HOH
W
10
22.825
−4.487
−4.522
1.00
24.47

O

ATOM
1222
O
HOH
W
11
22.558
7.831
1.186
1.00
26.19

O

ATOM
1223
O
HOH
W
12
26.523
−5.306
3.262
1.00
29.11

O

ATOM
1224
O
HOH
W
13
2.867
−7.737
−9.924
1.00
25.94

O

ATOM
1225
O
HOH
W
14
29.339
−4.145
4.033
1.00
32.73

O

ATOM
1226
O
HOH
W
15
11.835
5.796
6.506
1.00
27.41

O

ATOM
1227
O
HOH
W
16
17.832
8.912
−3.663
1.00
30.12

O

ATOM
1228
O
HOH
W
17
8.221
8.158
3.157
1.00
26.88

O

ATOM
1229
O
HOH
W
18
6.492
5.890
−17.768
1.00
27.52

O

ATOM
1230
O
HOH
W
19
1.834
4.347
−1.858
1.00
28.73

O

ATOM
1231
O
HOH
W
20
21.764
5.427
16.137
1.00
36.04

O

ATOM
1232
O
HOH
W
21
12.563
3.322
−10.834
1.00
23.21

O

ATOM
1233
O
HOH
W
22
39.315
−9.182
11.298
1.00
32.44

O

ATOM
1234
O
HOH
W
23
−3.332
−1.561
−15.069
1.00
29.23

O

ATOM
1235
O
HOH
W
24
1.684
7.198
−0.265
1.00
29.24

O

ATOM
1236
O
HOH
W
25
22.140
8.922
3.745
1.00
35.91

O

ATOM
1237
O
HOH
W
26
35.301
−2.123
9.091
1.00
38.80

O

ATOM
1238
O
HOH
W
27
−5.897
10.697
−3.872
1.00
37.08

O

ATOM
1239
O
HOH
W
28
15.726
−2.204
−9.921
1.00
37.83

O

ATOM
1240
O
HOH
W
29
14.252
−0.798
−12.142
1.00
34.25

O

ATOM
1241
O
HOH
W
30
26.165
−2.913
17.815
1.00
31.54

O

ATOM
1242
O
HOH
W
31
13.649
−10.827
4.194
1.00
49.90

O

ATOM
1243
O
HOH
W
32
23.051
−8.578
16.864
1.00
47.91

O

ATOM
1244
O
HOH
W
33
14.980
−11.527
−1.540
1.00
49.85

O

ATOM
1245
O
HOH
W
34
20.845
11.511
−5.172
1.00
33.12

O

ATOM
1246
O
HOH
W
35
24.148
2.661
−4.425
1.00
35.43

O

ATOM
1247
O
HOH
W
36
7.432
11.531
−6.963
1.00
26.53

O

ATOM
1248
O
HOH
W
37
−3.496
8.931
−7.061
1.00
38.42

O

ATOM
1249
O
HOH
W
38
−0.085
10.654
−10.537
1.00
34.65

O

ATOM
1250
O
HOH
W
39
31.580
1.604
16.076
1.00
36.23

O

ATOM
1251
O
HOH
W
40
30.657
6.889
6.765
1.00
36.33

O

ATOM
1252
O
HOH
W
41
30.346
6.928
12.790
1.00
35.49

O

ATOM
1253
O
HOH
W
42
−0.565
3.943
−1.545
1.00
35.31

O

ATOM
1254
O
HOH
W
43
40.272
−12.895
12.525
1.00
33.00

O

ATOM
1255
O
HOH
W
44
17.610
−11.912
1.026
1.00
53.03

O

ATOM
1256
O
HOH
W
45
5.872
5.087
9.876
1.00
52.85

O

ATOM
1257
O
HOH
W
46
6.775
6.757
6.106
1.00
49.76

O

ATOM
1258
O
HOH
W
47
18.369
12.430
−7.988
1.00
35.91

O

ATOM
1259
O
HOH
W
48
0.329
−3.236
2.246
1.00
61.26

O

ATOM
1260
O
HOH
W
49
15.688
10.724
0.987
1.00
30.14

O

ATOM
1261
O
HOH
W
50
24.325
10.633
9.374
1.00
40.54

O

ATOM
1262
O
HOH
W
51
2.395
13.693
−4.515
1.00
42.84

O

ATOM
1263
O
HOH
W
52
24.486
−0.589
19.373
1.00
40.89

O

ATOM
1264
O
HOH
W
53
12.206
−11.616
0.135
1.00
46.85

O

ATOM
1265
O
HOH
W
54
7.770
12.767
−12.059
1.00
39.57

O

ATOM
1266
O
HOH
W
55
−1.050
−5.024
−13.767
1.00
50.16

O

ATOM
1267
O
HOH
W
56
40.951
−9.621
17.868
1.00
48.00

O

ATOM
1268
O
HOH
W
57
24.501
−7.006
1.575
1.00
45.24

O

ATOM
1269
O
HOH
W
58
27.096
−6.859
1.290
1.00
52.29

O

ATOM
1270
O
HOH
W
59
24.463
−2.147
−3.943
1.00
40.07

O

ATOM
1271
O
HOH
W
60
37.429
−5.299
10.536
1.00
43.55

O

ATOM
1272
O
HOH
W
61
2.222
−11.298
−3.480
1.00
44.19

O

ATOM
1273
O
HOH
W
62
32.269
−23.427
16.709
1.00
39.35

O

ATOM
1274
O
HOH
W
63
−0.603
6.363
1.838
1.00
47.07

O

ATOM
1275
O
HOH
W
64
7.926
−3.723
5.420
1.00
42.42

O

ATOM
1276
O
HOH
W
65
21.089
−11.488
3.748
1.00
45.92

O

ATOM
1277
O
HOH
W
66
5.190
12.749
−6.013
1.00
37.20

O

ATOM
1278
O
HOH
W
67
19.987
−4.154
−5.672
1.00
36.45

O

ATOM
1279
O
HOH
W
68
6.430
−11.548
−6.103
1.00
43.48

O

ATOM
1280
O
HOH
W
69
0.218
3.349
1.713
1.00
34.90

O

ATOM
1281
O
HOH
W
70
28.714
−10.578
12.494
1.00
33.16

O

ATOM
1282
O
HOH
W
71
16.138
5.966
12.660
1.00
45.25

O

ATOM
1283
O
HOH
W
72
5.488
14.792
2.429
1.00
51.47

O

ATOM
1284
O
HOH
W
73
22.654
−9.761
0.607
1.00
48.15

O

ATOM
1285
O
HOH
W
74
10.375
−1.648
12.257
1.00
37.88

O

ATOM
1286
O
HOH
W
75
11.886
−4.984
13.504
1.00
45.51

O

ATOM
1287
O
HOH
W
76
7.476
14.681
0.873
1.00
43.55

O

ATOM
1288
O
HOH
W
77
30.904
−13.371
14.461
1.00
34.99

O

ATOM
1289
O
HOH
W
78
23.128
−10.164
−2.983
1.00
47.13

O

ATOM
1290
O
HOH
W
79
23.260
−14.586
6.223
1.00
40.31

O

ATOM
1291
O
HOH
W
80
−6.243
−6.150
−1.383
1.00
53.35

O

ATOM
1292
O
HOH
W
81
28.184
−13.579
12.071
1.00
34.94

O

ATOM
1293
O
HOH
W
82
38.811
−5.248
15.485
1.00
45.36

O

ATOM
1294
O
HOH
W
83
35.880
0.717
10.389
1.00
39.27

O

ATOM
1295
O
HOH
W
84
15.307
2.892
−14.282
1.00
46.45

O

ATOM
1296
O
HOH
W
85
−1.301
15.504
−4.876
1.00
44.97

O

ATOM
1297
O
HOH
W
86
33.212
−0.582
15.860
1.00
43.94

O

ATOM
1298
O
HOH
W
87
30.855
−10.555
3.360
1.00
61.57

O

ATOM
1299
O
HOH
W
88
26.757
7.112
−8.957
1.00
59.41

O

ATOM
1300
O
HOH
W
89
9.305
13.270
−7.820
1.00
58.22

O

ATOM
1301
O
HOH
W
90
−3.975
8.983
−4.457
1.00
37.79

O

ATOM
1302
O
HOH
W
91
1.412
−1.103
4.568
1.00
46.52

O

ATOM
1303
O
HOH
W
92
28.009
−2.786
−3.028
1.00
55.39

O

ATOM
1304
O
HOH
W
93
−0.446
8.851
−0.647
1.00
42.40

O

ATOM
1305
O
HOH
W
94
29.160
−6.863
17.337
1.00
64.08

O

ATOM
1306
O
HOH
W
95
10.935
−2.057
−18.154
1.00
46.21

O

ATOM
1307
O
HOH
W
96
33.934
−27.065
14.429
1.00
51.48

O

ATOM
1308
O
HOH
W
97
−5.99
7.578
−15.180
1.00
56.75

O

ATOM
1309
O
HOH
W
98
27.670
−17.229
5.174
1.00
42.70

O

ATOM
1310
O
HOH
W
99
13.263
5.969
−19.606
1.00
57.99

O

ATOM
1311
O
HOH
W
100
−0.403
−5.370
−17.536
1.00
45.51

O

END

TABLE 10

Atomic coordinates for COM1 complex of the modified

TXNIP protein represented by SEQ ID NO: 6 and the modified protein represented by SEQ ID NO: 3

HEADER
----
XX-XXX-9-xxx

COMPND
---

REMARK
3

REMARK
3
REFINEMENT.

REMARK
3
PROGRAM:
REFMAC 5.2.0019

REMARK
3
AUTHORS:
MURSHUDOV.VAGIN.DODSON

REMARK
3

REMARK
3
REFINEMENT TARGET: MAXIMUM LIKELIHOOD

REMARK
3

REMARK
3
DATA USED IN REFINEMENT

REMARK
3
RESOLUTION RANGE HIGH (ANGSTROMS):
2.00

REMARK
3
RESOLUTION RANGE LOW (ANGSTROMS):
30.00

REMARK
3
DATA CUTOFF (SIGMA(F)):
NONE

REMARK
3
COMPLETENESS FOR RANGE (%):
96.40

REMARK
3
NUMBER OF REFLECTIONS:
55014

REMARK
3

REMARK
3
FIT TO DATA USED IN REFINEMENT.

REMARK
3
CROSS-VALIDATION METHOD: THROUGHOUT

REMARK
3
FREE R VALUE TEST SET SELECTION: RANDOM

REMARK
3
R VALUE (WORKING + TEST SET): 0.22399

REMARK
3
R VALUE (WORKING SET): 0.22048

REMARK
3
FREE R VALUE: 0.28806

REMARK
3
FREE R VALUE TEST SET SIZE (%): 5.1

REMARK
3
FREE R VALUE TEST SET COUNT: 2997

REMARK
3

REMARK
3
FIT IN THE HIGHEST RESOLUTION BIN.

REMARK
3
TOTAL NUMBER OF BINS USED:
20

REMARK
3
BIN RESOLUTION RANGE HIGH:
1.995

REMARK
3
BIN RESOLUTION RANGE LOW:
2.047

REMARK
3
REFLECTION IN BIN (WORKING SET):
3204

REMARK
3
BIN COMPLETENESS (WORKING + TEST) (%):
75.31

REMARK
3
BIN R VALUE (WORKING SET):
0.264

REMARK
3
BIN FREE R VALUE SET COUNT:
179

REMARK
3
BIN FREE R VALUE:
0.340

REMARK
3

REMARK
3
NUMBER OR NON-HYDROGEN ATOMS USED IN REFINEMENT

REMARK
3
ALL ATOMS:
6259

REMARK
3

REMARK
3
B VALUES.

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

REMARK
3
MEAN B VALUE (OVERALL, A**2): 51.648

REMARK
3
OVERALL ANISOTROPIC B VALUE.

REMARK
3
B11 (A**2):
−1.35

REMARK
3
B22 (A**2):
1.66

REMARK
3
B33 (A**2):
−0.33

REMARK
3
B12 (A**2):
0.00

REMARK
3
B13 (A**2):
−0.45

REMARK
3
B23 (A**2):
0.00

REMARK
3

REMARK
3
ESTIMATED OVERALL COORDINATE ERROR.

REMARK
3
ESU BASED ON R VALUE
(A): 0.204

REMARK
3
ESU BASED ON FREE R VALUE
(A): 0.198

REMARK
3
ESU BASED ON MAXIMUM LIKELIHOOD
(A): 0.185

REMARK
3
ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2):
13.619

REMARK
3

REMARK
3
CORRELATION COEFFICIENTS.

REMARK
3
CORRELATION COEFFICIENT FO-FC: 0.955

REMARK
3
CORRELATION COEFFICIENT FO-FC FREE: 0.923

REMARK
3

REMARK
3
RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK
3
BOND LENGTHS REFINED ATOMS (A): 6122; 0.015; 0.022

REMARK
3
BOND ANGLES REFINED ATOMS (DEGREES): 8246; 1.594; 1.967

REMARK
3
TORSION ANGLES, PERIOD 1 (DEGREES): 760; 7.206; 5.000

REMARK
3
TORSION ANGLES, PERIOD 2 (DEGREES): 258; 32.450; 24.496

REMARK
3
TORSION ANGLES, PERIOD 3 (DEGREES): 1133; 18.895; 15.000

REMARK
3
TORSION ANGLES, PERIOD 4 (DEGREES): 33; 17.581; 15.000

REMARK
3
CHIRAL-CENTER RESTRAINTS (A**3): 925; 0.107; 0.200

REMARK
3
GENERAL PLANES REFINED ATOMS (A): 4499; 0.006; 0.020

REMARK
3
NON-BONDED CONTACTS REFINED ATOMS (A): 2355; 0.218; 0.200

REMARK
3
NON-BONDED TORSION REFINED ATOMS (A): 4082; 0.308; 0.200

REMARK
3
H-BOND (X...Y) REFINED ATOMS (A): 328; 0.152; 0.200

REMARK
3
SYMMETRY VDW REFINED ATOMS (A): 54; 0.245; 0.200

REMARK
3
SYMMETRY H-BOND REFINED ATOMS (A): 12; 0.164; 0.200

REMARK
3

REMARK
3
ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK
3
MAIN-CHAIN BOND REFINED ATOMS (A**2): 3914; 2.633; 3.000

REMARK
3
MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 6171; 3.683; 5.000

REMARK
3
SIDE-CHAIN BOND REFINED ATOMS (A**2): 2476; 6.144; 8.000

REMARK
3
SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 2075; 8.258; 11.000

REMARK
3

REMARK
3
NCS RESTRAINTS STATISTICS

REMARK
3
NUMBER OF NCS GROUPS: NULL

REMARK
3

REMARK
3

REMARK
3
TLS DETAILS

REMARK
3
NUMBER OF TLS GROUPS: 4

REMARK
3
ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY

REMARK
3

REMARK
3
TLS GROUP: 1

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS
C
SSSEQI
TO
C SSSEQI

REMARK
3
RESIDUE RANGE:
A
7
A
298

REMARK
3
ORIGIN FOR THE GROUP (A): −29.3950 −0.5280 41.4110

REMARK
3
T TENSOR

REMARK
3
T11: 0.0086 T22: 0.1864

REMARK
3
T33: −0.1294 T12: 0.1721

REMARK
3
T13: −0.0091 T23: −0.0405

REMARK
3
L TENSOR

REMARK
3
L11: 2.1364 L22: 0.4145

REMARK
3
L33: 1.8760 L12: −0.6465

REMARK
3
L13: 1.9281 L33: −0.7565

REMARK
3
S TENSOR

REMARK
3
S11: −0.2656 S12: −0.2843 S13: −0.0318

REMARK
3
S21: 0.0691 S22: 0.2351 S23: −0.0044

REMARK
3
S31: −0.3348 S32: −0.2249 S33: 0.0306

REMARK
3

REMARK
3
TLS GROUP: 2

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS
C
SSSCQI
TO
SSSCQI

REMARK
3
RESIDUE RANGE:
B
1
B
105

REMARK
3
ORIGIN FOR THE GROUP (A): −68.0280 1.2130 6.2330

REMARK
3
T TENSOR

REMARK
3
T11: −0.0458 T22: −0.0219

REMARK
3
T33: −0.0363 T12: −0.0151

REMARK
3
T13: −0.1599 T23: 0.0190

REMARK
3
L TENSOR

REMARK
3
L11: 10.4144 L22: 1.8975

REMARK
3
L33: 5.5400 L12: −0.8794

REMARK
3
L13: 3.0145 L23: −2.1954

REMARK
3
S TENSOR

REMARK
3
S11: 0.5389 S12: −0.1348 S13: −1.1150

REMARK
3
S21: −0.4434 S22: 0.2058 S23: 0.7639

REMARK
3
S31: 0.7874 S32: −0.6519 S33: −0.7447

REMARK
3

REMARK
3
TLS GROUP 3

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS
C
SSSEQI
TO
C SSSEQI

REMARK
3
RESIDUE RANGE:
C
8
C
209

REMARK
3
ORIGIN FOR THE GROUP (A): 1.3340 4.6380 38.9420

REMARK
3
T TENSOR

REMARK
3
T11: −0.1543 T22: 0.0591

REMARK
3
T33: −0.1018 T12: −0.0041

REMARK
3
T13: −0.0518 T23: −0.0003

REMARK
3
L TENSOR

REMARK
3
L11: 1.0062 L22: 0.2909

REMARK
3
L33: 1.1938 L12: −0.0006

REMARK
3
L13: 0.8690 L23: −0.0244

REMARK
3
S TENSOR

REMARK
3
S11: 0.0059 S12: 0.0537 S13: −0.1053

REMARK
3
S21: 0.0770 S22: −0.0097 S23: 0.0426

REMARK
3
S31: −0.0280 S32: 0.0051 S33: 0.0038

REMARK
3

REMARK
3
TLS GROUP: 4

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS
C
SSSEQI
TO
C SSSEQI

REMARK
3
RESIDUE RANGE:
D
1
D
105

REMARK
3
ORIGIN FOR THE GROUP (A): 39.4190 8.8870 74.2550

REMARK
3
T TENSOR

REMARK
3
T11: −0.0550 T22: −0.0736

REMARK
3
T33: −0.0343 T12: −0.0072

REMARK
3
T13: −0.2063 T23: 0.0637

REMARK
3
L TENSOR

REMARK
3
L11: 3.9622 L22: 3.4458

REMARK
3
L33: 4.6601 L12: 1.0479

REMARK
3
L13: 0.5060 L23: 1.6727

REMARK
3
S TENSOR

REMARK
3
S11: 0.3524 S12: 0.1625 S13: −0.8176

REMARK
3
S21: 0.5117 S22: 0.0161 S23: −0.8845

REMARK
3
S31: 0.4833 S32: 0.3755 S33: −0.3685

REMARK
3

REMARK
3

REMARK
3
BULK SOLVENT MODELLING.

REMARK
3
METHOD USED: MASK

REMARK
3
PARAMETERS FOR MASK CALCULATION

REMARK
3
VDW PROBE RADIUS: 1.20

REMARK
3
ION PROBE RADIUS: 0.80

REMARK
3
SHRINKAGE RADIUS: 0.80

REMARK
3

REMARK
3
OTHER REFINEMENT REMARKS: NULL

REMARK
3

LINK
VAL A 146 PRO A 154

LINK
ILE A 260 ASN A 268

LINK
ASP C 147 PRO C 154

LINK
LYS C 259 GLY C 265

LINK
ASN A 142 PRO A 154

LINK
LEU A 105 GLY A 116

LINK
THR A 220 LYS A 228

LINK
LYS A 259 ARG A 271

LINK
GLU A 34 VAL A 44

LINK
LEU A 129 ARG A 131

LINK
ALA C 223 GLY C 225

CISPEP
1
MET B 74 PRO B 75
0.00

CISPEP
2
ASN C 224 GLY C 225
0.00

CISPEP
3
MET D 74 PRO D 75
0.00

SSBOND
1
CYS C 63 CYS C 190

SSBOND
2
CYS A 63 CYS A 190

SSBOND
3
CYS C 247 CYS D 32

CRYST1
80.135 64.022 88.295 90.00 91.28 90.00 P 1 21 1

SCALE1
0.012478
0.000000
0.000278
0.00000

SCALE2
0.000000
0.015620
0.000000
0.00000

SCALE3
0.000000
0.000000
0.011328
0.00000

ATOM
1
N
ILE
A
7
−11.353
−8.077
73.631
1.00
58.79
N

ATOM
2
CA
ILE
A
7
−11.103
−6.775
72.926
1.00
57.02
C

ATOM
3
CB
ILE
A
7
−11.345
−6.859
71.396
1.00
54.52
C

ATOM
4
CG1
ILE
A
7
−10.312
−7.774
70.728
1.00
57.32
C

ATOM
5
CD1
ILE
A
7
−8.892
−7.180
70.587
1.00
55.49
C

ATOM
6
CG2
ILE
A
7
−11.250
−5.481
70.748
1.00
48.93
C

ATOM
7
C
ILE
A
7
−11.933
−5.666
73.544
1.00
56.60
C

ATOM
8
O
ILE
A
7
−13.167
−5.731
73.557
1.00
59.90
O

ATOM
9
N
LYS
A
8
−11.239
−4.841
74.032
1.00
54.74
N

ATOM
10
CA
LYS
A
8
−11.836
−3.567
74.832
1.00
55.14
C

ATOM
11
CB
LYS
A
8
−10.738
−2.613
75.313
1.00
55.51
C

ATOM
12
CG
LYS
A
8
−11.056
−1.932
76.619
1.00
60.84
C

ATOM
13
CD
LYS
A
8
−9.897
−1.092
77.111
1.00
65.45
C

ATOM
14
CE
LYS
A
8
−9.879
0.267
76.441
1.00
62.59
C

ATOM
15
NZ
LYS
A
8
−8.838
1.128
77.063
1.00
79.08
N

ATOM
16
C
LYS
A
8
−12.931
−2.791
74.103
1.00
53.36
C

ATOM
17
O
LYS
A
8
−14.047
−2.658
74.502
1.00
57.18
O

ATOM
18
N
SER
A
9
−12.585
−2.256
72.943
1.00
50.08
N

ATOM
19
CA
SER
A
9
−13.513
−1.588
72.052
1.00
46.63
C

ATOM
20
CB
SER
A
9
−13.592
−0.097
72.355
1.00
48.20
C

ATOM
21
OG
SER
A
9
−12.345
0.521
72.090
1.00
51.80
O

ATOM
22
C
SER
A
9
−13.079
−1.745
70.601
1.00
45.45
C

ATOM
23
O
SER
A
9
−11.879
−1.839
70.292
1.00
46.12
O

ATOM
24
N
PHE
A
10
−14.076
−1.728
69.724
1.00
45.74
N

ATOM
25
CA
PHE
A
10
−13.926
−1.909
68.282
1.00
44.87
C

ATOM
26
CB
PHE
A
10
−13.812
−3.403
67.941
1.00
42.94
C

ATOM
27
CG
PHE
A
10
−13.514
−3.580
66.502
1.00
43.35
C

ATOM
28
CD1
PHE
A
10
−12.469
−3.053
65.864
1.00
44.11
C

ATOM
29
CE1
PHE
A
10
−12.199
−3.329
64.526
1.00
40.46
C

ATOM
30
CZ
PHE
A
10
−12.998
−4.213
63.831
1.00
39.26
C

ATOM
31
CE2
PHE
A
10
−14.026
−4.846
64.464
1.00
42.62
C

ATOM
32
CD2
PHE
A
10
−14.288
−4.581
65.783
1.00
33.66
C

ATOM
33
C
PHE
A
10
−15.191
−1.005
67.718
1.00
40.97
C

ATOM
34
O
PHE
A
10
−16.292
−1.829
67.920
1.00
44.38
O

ATOM
35
N
GLU
A
11
−15.039
−0.157
67.056
1.00
43.07
N

ATOM
36
CA
GLU
A
11
−16.169
0.640
66.645
1.00
43.56
C

ATOM
37
CB
GLU
A
11
−16.591
1.619
67.769
1.00
44.87
C

ATOM
38
CG
GLU
A
11
−17.170
0.992
69.078
1.00
56.04
C

ATOM
39
CD
GLU
A
11
−18.509
0.261
68.904
1.00
65.09
C

ATOM
40
OE1
GLU
A
11
−10.303
0.626
68.006
1.00
66.87
O

ATOM
41
OE2
GLU
A
11
−18.770
−0.679
69.690
1.00
65.70
O

ATOM
42
C
GLU
A
11
−15.879
1.447
65.376
1.00
41.06
C

ATOM
43
O
GLU
A
11
−14.760
1.920
65.174
1.00
40.89
O

ATOM
44
N
VAL
A
12
−16.909
1.609
64.549
1.00
40.75
N

ATOM
45
CA
VAL
A
12
−16.891
2.527
63.396
1.00
41.71
C

ATOM
46
CB
VAL
A
12
−17.813
1.975
62.274
1.00
43.62
C

ATOM
47
CG1
VAL
A
12
−17.854
2.901
61.027
1.00
35.75
C

ATOM
48
CG2
VAL
A
12
−17.367
0.545
61.856
1.00
41.71
C

ATOM
49
C
VAL
A
12
−17.396
3.908
63.866
1.00
44.46
C

ATOM
50
O
VAL
A
12
−18.530
4.013
64.326
1.00
45.11
O

ATOM
51
N
VAL
A
13
−16.566
4.953
63.788
1.00
45.03
N

ATOM
52
CA
VAL
A
13
−17.013
6.302
64.151
1.00
46.58
C

ATOM
53
CB
VAL
A
13
−16.313
6.874
65.432
1.00
47.91
C

ATOM
54
CG1
VAL
A
13
−17.005
8.186
65.927
1.00
51.51
C

ATOM
55
CG2
VAL
A
13
−16.296
5.837
66.583
1.00
51.14
C

ATOM
56
C
VAL
A
13
−16.863
7.263
62.968
1.00
46.72
C

ATOM
57
O
VAL
A
13
−15.756
7.692
62.636
1.00
47.56
O

ATOM
58
N
PHE
A
14
−17.991
7.583
62.337
1.00
45.98
N

ATOM
59
CA
PHE
A
14
−18.049
8.552
61.227
1.00
48.87
C

ATOM
60
CB
PHE
A
14
−19.457
8.600
60.616
1.00
46.97
C

ATOM
61
CG
PHE
A
14
−19.930
7.274
60.065
1.00
46.10
C

ATOM
62
CD1
PHE
A
14
−19.450
6.799
58.845
1.00
44.60
C

ATOM
63
CE1
PHE
A
14
−19.871
5.573
58.339
1.00
45.53
C

ATOM
64
CZ
PHE
A
14
−20.789
4.810
59.047
1.00
44.93
C

ATOM
65
CE2
PHE
A
14
−21.289
5.293
60.269
1.00
42.29
C

ATOM
66
CD2
PHE
A
14
−20.855
6.508
60.758
1.00
41.46
C

ATOM
67
C
PHE
A
14
−17.662
9.929
61.736
1.00
50.79
C

ATOM
68
O
PHE
A
14
−17.846
10.211
62.922
1.00
51.18
O

ATOM
69
N
ASN
A
15
−17.096
10.763
60.863
1.00
53.77
N

ATOM
70
CA
ASN
A
15
−16.657
12.112
61.257
1.00
56.91
C

ATOM
71
CB
ASN
A
15
−15.792
12.755
60.168
1.00
57.71
C

ATOM
72
CG
ASN
A
15
−14.440
12.061
59.990
1.00
61.04
C

ATOM
73
OD1
ASN
A
15
−13.847
11.540
60.945
1.00
63.82
O

ATOM
74
ND2
ASN
A
15
−13.944
12.060
58.755
1.00
59.11
N

ATOM
75
C
ASN
A
15
−17.827
13.025
61.625
1.00
58.71
C

ATOM
76
O
ASN
A
15
−17.717
13.850
62.538
1.00
59.29
O

ATOM
77
N
ASP
A
16
−18.936
12.866
60.907
1.00
60.67
N

ATOM
78
CA
ASP
A
16
−20.215
13.489
61.250
1.00
63.20
C

ATOM
79
CB
ASP
A
16
−20.717
14.383
60.099
1.00
63.61
C

ATOM
80
CG
ASP
A
16
−21.948
15.220
60.483
1.00
65.87
C

ATOM
81
OD1
ASP
A
16
−22.343
15.216
61.669
1.00
61.86
O

ATOM
82
OD2
ASP
A
16
−22.523
15.889
59.591
1.00
67.54
O

ATOM
83
C
ASP
A
16
−21.232
12.384
61.564
1.00
64.36
C

ATOM
84
O
ASP
A
16
−21.906
11.872
60.656
1.00
64.42
O

ATOM
85
N
PRO
A
17
−21.332
12.000
62.850
1.00
65.61
N

ATOM
86
CA
PRO
A
17
−22.145
10.867
63.325
1.00
68.12
C

ATOM
87
CB
PRO
A
17
−21.737
10.743
64.804
1.00
68.42
C

ATOM
88
CG
PRO
A
17
−20.425
11.471
64.905
1.00
68.76
C

ATOM
89
CD
PRO
A
17
−20.597
12.621
63.963
1.00
66.47
C

ATOM
90
C
PRO
A
17
−23.666
11.024
63.192
1.00
70.06
C

ATOM
91
O
PRO
A
17
−24.405
10.049
63.367
1.00
69.73
O

ATOM
92
N
GLU
A
18
−24.122
12.239
62.905
1.00
72.93
N

ATOM
93
CA
GLU
A
18
−25.530
12.490
62.619
1.00
73.98
C

ATOM
94
CB
GLU
A
18
−26.185
13.339
63.724
1.00
74.46
C

ATOM
95
CG
GLU
A
18
−26.421
12.609
65.050
1.00
73.31
C

ATOM
96
CD
GLU
A
18
−27.628
13.138
65.827
1.00
75.07
C

ATOM
97
OE1
GLU
A
18
−28.330
14.057
65.336
1.00
69.85
O

ATOM
98
OE2
GLU
A
18
−27.879
12.619
66.938
1.00
74.65
O

ATOM
99
C
GLU
A
18
−25.650
13.180
61.269
1.00
75.08
C

ATOM
100
O
GLU
A
18
−25.949
14.376
61.203
1.00
76.88
O

ATOM
101
N
LYS
A
19
−25.400
12.431
60.197
1.00
75.26
N

ATOM
102
CA
LYS
A
19
−25.530
12.972
58.848
1.00
75.13
C

ATOM
103
CB
LYS
A
19
−24.175
13.335
58.232
1.00
74.85
C

ATOM
104
CG
LYS
A
19
−24.330
14.156
56.950
1.00
71.95
C

ATOM
105
CD
LYS
A
19
−23.012
14.543
56.320
1.00
73.31
C

ATOM
106
CE
LYS
A
19
−23.239
15.121
54.926
1.00
71.20
C

ATOM
107
NZ
LYS
A
19
−21.971
15.547
54.271
1.00
66.78
N

ATOM
108
C
LYS
A
19
−26.271
12.064
57.890
1.00
75.83
C

ATOM
109
O
LYS
A
19
−26.099
10.843
57.910
1.00
75.57
O

ATOM
110
N
VAL
A
20
−27.102
12.703
57.068
1.00
76.82
N

ATOM
111
CA
VAL
A
20
−27.692
12.129
55.872
1.00
77.57
C

ATOM
112
CB
VAL
A
20
−28.101
12.745
55.597
1.00
77.01
C

ATOM
113
CG1
VAL
A
20
−29.579
12.468
54.175
1.00
78.18
C

ATOM
114
CG2
VAL
A
20
−30.124
12.254
56.611
1.00
79.65
C

ATOM
115
C
VAL
A
20
−26.743
12.494
54.731
1.00
78.41
C

ATOM
116
O
VAL
A
20
−26.622
13.670
54.364
1.00
79.09
O

ATOM
117
N
TYR
A
21
−26.060
11.487
54.186
1.00
77.32
N

ATOM
118
CA
TYR
A
21
−25.133
11.696
53.079
1.00
76.53
C

ATOM
119
CB
TYR
A
21
−24.005
10.644
53.099
1.00
76.02
C

ATOM
120
CG
TYR
A
21
−23.113
10.888
54.334
1.00
69.63
C

ATOM
121
CD1
TYR
A
21
−21.996
11.525
54.382
1.00
68.21
C

ATOM
122
CE1
TYR
A
21
−21.167
11.571
55.529
1.00
72.93
C

ATOM
123
OZ
TYR
A
21
−21.450
10.772
56.643
1.00
69.78
O

ATOM
124
OH
TYR
A
21
−20.639
10.824
57.769
1.00
65.04
O

ATOM
125
CE2
TYR
A
21
−22.566
9.924
56.611
1.00
69.84
C

ATOM
126
CD2
TYR
A
21
−23.388
9.890
55.455
1.00
69.41
C

ATOM
127
C
TYR
A
21
−25.894
11.669
51.751
1.00
77.68
C

ATOM
128
O
TYR
A
21
−26.881
10.935
51.610
1.00
78.42
O

ATOM
129
N
GLY
A
22
−25.441
12.467
50.785
1.00
77.63
N

ATOM
130
CA
GLY
A
22
−26.093
12.536
49.472
1.00
78.10
C

ATOM
131
C
GLY
A
22
−25.471
11.666
48.389
1.00
78.37
C

ATOM
132
O
GLY
A
22
−24.597
10.847
48.686
1.00
78.46
O

ATOM
133
N
SER
A
23
−25.941
11.842
47.154
1.00
78.57
N

ATOM
134
CA
SER
A
23
−25.328
11.228
45.970
1.00
77.19
C

ATOM
135
CB
SER
A
23
−26.208
11.454
44.730
1.00
77.58
C

ATOM
136
OG
SER
A
23
−25.702
10.771
43.592
1.00
75.96
O

ATOM
137
C
SER
A
23
−23.917
11.800
45.753
1.00
75.89
C

ATOM
138
O
SER
A
23
−23.645
12.961
46.110
1.00
74.49
O

ATOM
139
N
GLY
A
24
−23.025
10.974
45.199
1.00
73.52
N

ATOM
140
CA
GLY
A
24
−21.625
11.356
44.970
1.00
72.35
C

ATOM
141
C
GLY
A
24
−20.938
11.972
46.177
1.00
71.89
C

ATOM
142
O
GLY
A
24
−19.983
12.734
46.031
1.00
71.51
O

ATOM
143
N
GLU
A
25
−21.435
11.642
47.369
1.00
71.79
N

ATOM
144
CA
GLU
A
25
−20.932
12.199
48.624
1.00
72.46
C

ATOM
145
CB
GLU
A
25
−22.105
12.477
49.578
1.00
73.68
C

ATOM
146
CG
GLU
A
25
−21.777
13.304
50.833
1.00
76.55
C

ATOM
147
CD
GLU
A
25
−21.391
14.744
50.527
1.00
79.74
C

ATOM
148
OE1
GLU
A
25
−20.275
14.954
50.002
1.00
79.74
O

ATOM
149
OE2
GLU
A
25
−22.195
15.659
50.830
1.00
75.09
O

ATOM
150
C
GLU
A
25
−19.871
11.306
49.294
1.00
71.50
C

ATOM
151
O
GLU
A
25
−19.933
10.069
49.217
1.00
71.57
O

ATOM
152
N
ARG
A
26
−18.897
11.954
49.927
1.00
69.34
N

ATOM
153
CA
ARG
A
26
−17.818
11.279
50.652
1.00
68.44
C

ATOM
154
CB
ARG
A
26
−16.593
12.193
50.743
1.00
68.70
C

ATOM
155
CG
ARG
A
26
−15.277
11.483
50.996
1.00
75.43
C

ATOM
156
CD
ARG
A
26
−14.487
11.326
49.697
1.00
88.03
C

ATOM
157
NE
ARG
A
26
−13.049
11.228
49.955
1.00
95.46
N

ATOM
158
CZ
ARG
A
26
−12.380
10.085
50.106
1.00
98.75
C

ATOM
159
NH1
ARG
A
26
−13.013
8.919
50.013
1.00
98.98
N

ATOM
160
NH2
ARG
A
26
−11.071
10.106
50.347
1.00
95.74
N

ATOM
161
C
ARG
A
26
−18.250
10.895
52.062
1.00
65.29
C

ATOM
162
O
ARG
A
26
−18.596
11.754
52.871
1.00
67.09
O

ATOM
163
N
VAL
A
27
−18.230
9.598
52.343
1.00
62.43
N

ATOM
164
CA
VAL
A
27
−18.365
9.083
53.702
1.00
56.26
C

ATOM
165
CB
VAL
A
27
−19.241
7.814
53.739
1.00
54.94
C

ATOM
166
CG1
VAL
A
27
−19.525
7.396
55.169
1.00
49.93
C

ATOM
167
CG2
VAL
A
27
−20.540
8.039
52.985
1.00
50.38
C

ATOM
168
C
VAL
A
27
−16.951
8.773
54.194
1.00
56.42
C

ATOM
169
O
VAL
A
27
−16.209
8.031
53.530
1.00
50.02
O

ATOM
170
N
ALA
A
28
−16.583
9.356
55.338
1.00
54.67
N

ATOM
171
CA
ALA
A
28
−15.233
9.255
55.905
1.00
53.73
C

ATOM
172
CB
ALA
A
28
−14.389
10.483
55.532
1.00
52.92
C

ATOM
173
C
ALA
A
28
−15.308
9.117
57.417
1.00
52.70
C

ATOM
174
O
ALA
A
28
−15.206
9.676
58.069
1.00
53.26
O

ATOM
175
N
GLY
A
29
−14.362
8.383
57.984
1.00
49.84
N

ATOM
176
CA
GLY
A
29
−14.381
8.154
59.417
1.00
45.72
C

ATOM
177
C
GLY
A
29
−13.162
7.434
59.911
1.00
44.91
C

ATOM
178
O
GLY
A
29
−12.099
7.475
59.291
1.00
43.33
O

ATOM
179
N
ARG
A
30
−13.329
6.788
61.057
1.00
43.93
N

ATOM
180
CA
ARG
A
30
−12.282
5.975
61.658
1.00
40.49
C

ATOM
181
CB
ARG
A
30
−11.638
6.732
62.821
1.00
41.65
C

ATOM
182
CG
ARG
A
30
−10.485
7.632
62.425
1.00
45.86
C

ATOM
183
CD
ARG
A
30
−10.706
9.075
62.899
1.00
51.76
C

ATOM
184
NE
ARG
A
30
−11.467
9.187
64.143
1.00
52.07
N

ATOM
185
CZ
ARG
A
30
−12.733
9.619
64.241
1.00
60.48
C

ATOM
186
NH1
ARG
A
30
−13.443
9.979
63.164
1.00
50.57
N

ATOM
187
NH2
ARG
A
30
−13.305
9.676
65.436
1.00
60.28
N

ATOM
188
C
ARG
A
30
−12.833
4.683
62.189
1.00
39.43
C

ATOM
189
O
ARG
A
30
−13.937
4.647
62.720
1.00
39.84
O

ATOM
190
N
VAL
A
31
−12.040
3.622
62.073
1.00
38.20
N

ATOM
191
CA
VAL
A
31
−12.237
2.425
62.894
1.00
37.56
C

ATOM
192
CB
VAL
A
31
−11.993
1.132
62.104
1.00
35.38
C

ATOM
193
CG1
VAL
A
31
−12.300
−0.076
62.972
1.00
38.20
C

ATOM
194
CG2
VAL
A
31
−12.839
1.132
60.886
1.00
39.08
C

ATOM
195
C
VAL
A
31
−11.268
2.495
64.070
1.00
36.78
C

ATOM
196
O
VAL
A
31
−10.041
2.649
63.889
1.00
36.52
O

ATOM
197
N
ILE
A
32
−11.821
2.390
65.279
1.00
35.84
N

ATOM
198
CA
ILE
A
32
−11.058
2.667
66.463
1.00
37.46
C

ATOM
199
CB
ILE
A
32
−11.653
3.875
67.239
1.00
39.60
C

ATOM
200
CG1
ILE
A
32
−11.612
5.132
66.352
1.00
40.55
C

ATOM
201
CD1
ILE
A
32
−12.428
6.309
66.890
1.00
47.57
C

ATOM
202
CG2
ILE
A
32
−10.870
4.132
68.496
1.00
40.85
C

ATOM
203
C
ILE
A
32
−10.928
1.401
67.308
1.00
38.27
C

ATOM
204
O
ILE
A
32
−11.936
0.782
67.694
1.00
35.35
O

ATOM
205
N
VAL
A
33
−9.677
0.987
67.534
1.00
39.03
N

ATOM
206
CA
VAL
A
33
−9.399
−0.217
68.321
1.00
39.18
C

ATOM
207
CB
VAL
A
33
−8.641
−1.331
67.517
1.00
38.56
C

ATOM
208
CG1
VAL
A
33
−8.790
−2.674
68.215
1.00
37.99
C

ATOM
209
CG2
VAL
A
33
−9.151
−1.460
66.082
1.00
38.83
C

ATOM
210
C
VAL
A
33
−8.620
0.119
69.606
1.00
40.22
C

ATOM
211
O
VAL
A
33
−7.650
0.888
69.592
1.00
41.17
O

ATOM
212
N
GLU
A
34
−9.070
−0.456
70.717
1.00
41.71
N

ATOM
213
CA
GLU
A
34
−8.362
−0.391
71.982
1.00
42.21
C

ATOM
214
CB
GLU
A
34
−9.036
0.593
72.939
1.00
43.87
C

ATOM
215
CG
GLU
A
34
−9.093
2.019
72.352
1.00
52.42
C

ATOM
216
CD
GLU
A
34
−9.910
3.017
73.174
1.00
57.15
C

ATOM
217
OE1
GLU
A
34
−9.948
2.905
74.414
1.00
51.68
O

ATOM
218
OE2
GLU
A
34
−10.502
3.038
72.567
1.00
62.63
O

ATOM
219
C
GLU
A
34
−8.369
−1.801
72.545
1.00
43.65
C

ATOM
220
O
GLU
A
34
−9.311
−2.583
72.298
1.00
42.12
O

ATOM
221
N
VAL
A
35
−7.316
−2.159
73.273
1.00
43.27
N

ATOM
222
CA
VAL
A
35
−7.231
−3.508
73.804
1.00
48.45
C

ATOM
223
CB
VAL
A
35
−6.289
−4.382
72.962
1.00
50.50
C

ATOM
224
CG1
VAL
A
35
−4.829
−3.908
73.088
1.00
51.65
C

ATOM
225
CG2
VAL
A
35
−6.471
−5.876
73.330
1.00
58.67
C

ATOM
226
C
VAL
A
35
−6.837
−3.502
75.280
1.00
49.60
C

ATOM
227
O
CYS
A
36
−6.186
−2.572
75.748
1.00
47.76
O

ATOM
228
N
CYS
A
36
−7.266
−4.537
75.996
1.00
52.35
N

ATOM
229
CA
CYS
A
36
6.954
4.709
77.414
1.00
54.93
C

ATOM
230
CB
CYS
A
36
−7.915
−5.726
78.027
1.00
54.34
C

ATOM
231
SG
CYS
A
36
−9.633
−5.188
77.940
1.00
69.89
S

ATOM
232
C
CYS
A
36
−5.518
−5.162
77.624
1.00
55.26
C

ATOM
233
O
CYS
A
36
−4.876
−4.793
78.611
1.00
55.85
O

ATOM
234
N
GLU
A
37
−5.020
−5.965
76.687
1.00
55.92
N

ATOM
235
CA
GLU
A
37
−3.683
−6.563
76.787
1.00
55.16
C

ATOM
236
CB
GLU
A
37
−3.792
−8.005
77.283
1.00
55.66
C

ATOM
237
CG
GLU
A
37
−4.462
−8.925
76.292
1.00
60.45
C

ATOM
238
CD
GLU
A
37
−4.919
−10.227
76.898
1.00
74.46
C

ATOM
239
OE1
GLU
A
37
−5.209
−10.261
78.120
1.00
76.52
O

ATOM
240
OE2
GLU
A
37
5.001
11.216
76.134
1.00
79.00
O

ATOM
241
C
GLU
A
37
−2.948
−6.540
75.447
1.00
54.20
C

ATOM
242
O
GLU
A
37
−3.569
−6.351
74.405
1.00
53.64
O

ATOM
243
N
VAL
A
38
−1.632
−6.767
75.483
1.00
51.60
N

ATOM
244
CA
VAL
A
38
−0.825
−6.843
74.269
1.00
50.61
C

ATOM
245
CB
VAL
A
38
−0.639
−7.210
74.576
1.00
51.44
C

ATOM
246
CG1
VAL
A
38
1.442
−7.299
73.293
1.00
48.81
C

ATOM
247
CG2
VAL
A
38
1.245
−6.171
75.497
1.00
47.23
C

ATOM
248
C
VAL
A
38
−1.429
−7.816
73.240
1.00
52.46
C

ATOM
249
O
VAL
A
38
−1.615
−9.019
73.512
1.00
52.61
O

ATOM
250
N
THR
A
39
−1.727
−7.278
72.060
1.00
47.80
N

ATOM
251
CA
THR
A
39
−2.528
−7.978
71.074
1.00
46.47
C

ATOM
252
CB
THR
A
39
−3.952
−7.407
71.028
1.00
43.67
C

ATOM
253
OG1
THR
A
39
−4.621
−7.695
72.258
1.00
53.23
O

ATOM
254
CG2
THR
A
39
−4.797
−8.007
69.880
1.00
45.73
C

ATOM
255
C
THR
A
39
−1.874
−7.790
69.728
1.00
42.28
C

ATOM
256
O
THR
A
39
−1.592
−6.668
69.335
1.00
40.99
O

ATOM
257
N
ARG
A
40
−1.623
−8.899
69.048
1.00
41.50
N

ATOM
258
CA
ARG
A
40
−1.181
−8.855
67.659
1.00
42.89
C

ATOM
259
CB
ARG
A
40
−0.124
−0.020
67.401
1.00
45.11
C

ATOM
260
CG
ARG
A
40
1.120
−9.689
68.261
1.00
51.19
C

ATOM
261
CD
ARG
A
40
1.665
−10.958
68.867
1.00
54.29
C

ATOM
262
NE
ARG
A
40
2.048
−11.955
67.868
1.00
64.77
N

ATOM
263
CZ
ARG
A
40
1.304
−13.008
67.521
1.00
63.43
C

ATOM
264
NH1
ARG
A
40
0.100
−13.230
68.085
1.00
61.12
N

ATOM
265
NH2
ARG
A
40
1.762
−13.844
66.607
1.00
53.24
N

ATOM
266
C
ARG
A
40
−2.364
−8.968
66.737
1.00
40.73
C

ATOM
267
O
ARG
A
40
−3.290
−9.739
66.963
1.00
37.07
O

ATOM
268
N
VAL
A
41
−2.303
−8.192
65.663
1.00
38.74
N

ATOM
269
CA
VAL
A
41
−3.447
−7.964
64.793
1.00
36.07
C

ATOM
270
CB
VAL
A
41
−4.013
−6.517
65.049
1.00
33.74
C

ATOM
271
CG1
VAL
A
41
−4.994
−6.059
63.966
1.00
34.20
C

ATOM
272
CG2
VAL
A
41
−4.684
−6.490
66.328
1.00
32.83
C

ATOM
273
C
VAL
A
41
−2.952
−8.130
63.386
1.00
36.16
C

ATOM
274
O
VAL
A
41
−1.917
−7.552
63.003
1.00
35.57
O

ATOM
275
N
LYS
A
42
−3.654
−8.963
62.632
1.00
35.18
N

ATOM
276
CA
LYS
A
42
−3.329
−9.231
61.257
1.00
33.35
C

ATOM
277
CB
LYS
A
42
−3.942
−10.564
60.812
1.00
32.75
C

ATOM
278
CG
LYS
A
42
−3.045
−11.758
60.807
1.00
46.73
C

ATOM
279
CD
LYS
A
42
−3.857
−13.029
60.931
1.00
49.97
C

ATOM
280
CE
LYS
A
42
−4.294
−13.565
59.595
1.00
45.77
C

ATOM
281
NZ
LYS
A
42
−3.076
−14.081
58.944
1.00
53.24
N

ATOM
282
C
LYS
A
42
−3.862
−8.163
60.325
1.00
33.71
C

ATOM
283
O
LYS
A
42
−3.182
−7.809
59.360
1.00
34.77
O

ATOM
284
N
ALA
A
43
−5.114
−7.735
60.521
1.00
30.14
N

ATOM
285
CA
ALA
A
43
−5.734
−6.732
59.645
1.00
30.68
C

ATOM
286
CB
ALA
A
43
−6.176
−7.355
58.299
1.00
34.82
O

ATOM
287
C
ALA
A
43
−6.915
−6.103
60.293
1.00
32.29
C

ATOM
288
O
ALA
A
43
−7.538
−6.676
61.187
1.00
32.12
O

ATOM
289
N
VAL
A
44
−7.222
−4.904
59.830
1.00
32.80
N

ATOM
290
CA
VAL
A
44
−8.527
−4.302
60.046
1.00
31.57
C

ATOM
291
CB
VAL
A
44
−8.433
−3.085
60.936
1.00
35.59
C

ATOM
292
CG1
VAL
A
44
−9.691
−2.259
60.841
1.00
30.20
C

ATOM
293
CG2
VAL
A
44
−8.174
−3.531
52.394
1.00
35.53
C

ATOM
294
C
VAL
A
44
−9.031
−3.922
58.674
1.00
32.95
C

ATOM
295
O
VAL
A
44
−8.308
−3.267
57.901
1.00
31.59
O

ATOM
296
N
ARG
A
45
−10.240
−4.364
58.336
1.00
31.23
N

ATOM
297
CA
ARG
A
45
−10.737
−4.125
56.954
1.00
36.06
C

ATOM
298
CB
ARG
A
45
−10.784
−5.420
56.144
1.00
35.39
C

ATOM
299
CG
ARG
A
45
−9.689
−6.352
55.440
1.00
40.28
C

ATOM
300
CD
ARG
A
45
−9.888
−7.706
55.769
1.00
51.80
C

ATOM
301
NE
ARG
A
45
−10.413
−8.734
56.680
1.00
51.46
N

ATOM
302
CZ
ARG
A
45
−11.585
−9.344
55.532
1.00
51.31
C

ATOM
303
NH1
ARG
A
45
−12.373
−9.036
55.518
1.00
45.29
N

ATOM
304
NH2
ARG
A
45
−11.969
−10.267
57.400
1.00
40.07
N

ATOM
305
C
ARG
A
45
−12.127
−3.572
57.054
1.00
36.45
C

ATOM
306
O
ARG
A
45
−12.745
−3.070
58.120
1.00
39.20
O

ATOM
307
N
ILE
A
46
−12.597
−2.924
55.993
1.00
38.37
N

ATOM
308
CA
ILE
A
46
−14.000
−2.516
55.950
1.00
41.80
C

ATOM
309
CB
ILE
A
46
−14.237
−0.973
56.134
1.00
42.42
C

ATOM
310
CG1
ILE
A
46
−13.572
−0.140
55.037
1.00
38.23
C

ATOM
311
CD1
ILE
A
46
−14.151
1.257
54.935
1.00
50.93
C

ATOM
312
CG2
ILE
A
46
−13.817
−0.535
57.532
1.00
42.63
C

ATOM
313
C
ILE
A
46
−14.743
−3.019
54.718
1.00
43.03
C

ATOM
314
O
ILE
A
46
−14.143
−3.333
53.689
1.00
43.01
O

ATOM
315
N
LEU
A
47
−15.051
−3.117
54.868
1.00
41.95
N

ATOM
316
CA
LEU
A
47
−16.959
−3.413
53.772
1.00
44.45
C

ATOM
317
CB
LEU
A
47
−17.477
−4.850
53.864
1.00
42.37
C

ATOM
318
CG
LEU
A
47
−18.639
−5.267
52.959
1.00
45.94
C

ATOM
319
CD1
LEU
A
47
−18.190
−5.376
51.504
1.00
43.80
C

ATOM
320
CD2
LEU
A
47
−19.226
−6.580
53.434
1.00
50.08
C

ATOM
321
C
LEU
A
47
−18.115
−2.439
53.960
1.00
44.39
C

ATOM
322
O
LEU
A
47
−18.762
−2.436
54.992
1.00
45.41
O

ATOM
323
N
ALA
A
48
−18.315
−1.567
52.989
1.00
45.42
N

ATOM
324
CA
ALA
A
48
−19.406
−0.648
53.035
1.00
45.31
C

ATOM
325
CB
ALA
A
48
−18.922
0.746
52.767
1.00
45.70
C

ATOM
326
C
ALA
A
48
−20.411
−1.113
51.982
1.00
48.06
C

ATOM
327
O
ALA
A
48
−20.022
−1.556
50.907
1.00
43.20
O

ATOM
328
N
CYS
A
49
−21.700
−1.037
52.317
1.00
50.07
N

ATOM
329
CA
CYS
A
49
−22.746
−1.601
51.471
1.00
53.40
C

ATOM
330
CB
CYS
A
49
−23.089
−3.011
51.923
1.00
54.24
C

ATOM
331
SG
CYS
A
49
−21.922
−4.240
51.330
1.00
74.90
S

ATOM
332
C
CYS
A
49
−24.022
−0.787
51.471
1.00
53.02
C

ATOM
333
O
CYS
A
49
−24.432
−0.272
52.509
1.00
50.84
C

ATOM
334
N
GLY
A
50
−24.650
−0.701
50.301
1.00
51.79
N

ATOM
335
CA
GLY
A
50
−25.998
−0.117
50.172
1.00
53.89
C

ATOM
336
C
GLY
A
50
−26.867
−1.028
49.322
1.00
54.08
C

ATOM
337
O
GLY
A
50
−26.540
−1.308
48.171
1.00
52.36
O

ATOM
338
N
VAL
A
51
−27.959
−1.511
49.907
1.00
54.81
N

ATOM
339
CA
VAL
A
51
−28.828
−2.497
49.271
1.00
55.19
C

ATOM
340
CB
VAL
A
51
−28.614
−3.895
49.895
1.00
58.21
C

ATOM
341
CG1
VAL
A
51
−29.533
−4.928
49.265
1.00
55.70
C

ATOM
342
CG2
VAL
A
51
−27.161
−4.334
49.732
1.00
58.48
C

ATOM
343
C
VAL
A
51
−30.300
−2.096
49.436
1.00
57.18
C

ATOM
344
O
VAL
A
51
−30.778
−1.899
50.573
1.00
59.11
O

ATOM
345
N
ALA
A
52
−31.016
−1.949
48.320
1.00
55.12
N

ATOM
346
CA
ALA
A
52
−32.474
−1.833
48.398
1.00
51.69
C

ATOM
347
CB
ALA
A
52
−32.977
−0.780
47.462
1.00
51.65
C

ATOM
348
C
ALA
A
52
−33.136
−3.180
48.123
1.00
51.73
C

ATOM
349
O
ALA
A
52
−32.724
−3.930
47.247
1.00
55.86
O

ATOM
350
N
LYS
A
53
−34.156
−3.501
48.890
1.00
55.04
N

ATOM
351
CA
LYS
A
53
−34.934
−4.701
48.652
1.00
58.17
C

ATOM
352
CB
LYS
A
53
−34.839
−5.631
49.865
1.00
59.44
C

ATOM
353
CG
LYS
A
53
35.676
6.902
49.001
1.00
63.39
C

ATOM
354
CD
LYS
A
53
−37.038
−6.760
50.539
1.00
71.99
C

ATOM
355
CE
LYS
A
53
−36.945
−6.868
52.084
1.00
69.04
C

ATOM
356
NZ
LYS
A
53
−36.521
−8.215
52.594
1.00
67.47
N

ATOM
357
C
LYS
A
53
−36.377
−4.269
48.338
1.00
61.00
C

ATOM
358
O
LYS
A
53
−37.054
−3.660
49.177
1.00
62.17
O

ATOM
359
N
VAL
A
54
−36.829
−4.555
47.116
1.00
62.03
N

ATOM
360
CA
VAL
A
54
−38.220
−4.273
46.737
1.00
62.87
C

ATOM
361
CB
VAL
A
54
−38.330
−3.547
45.378
1.00
61.47
C

ATOM
362
CG1
VAL
A
54
−39.784
−3.211
45.071
1.00
63.70
C

ATOM
363
CG2
VAL
A
54
−37.483
−2.268
45.389
1.00
53.64
C

ATOM
364
C
VAL
A
54
−39.021
−5.567
46.744
1.00
62.17
C

ATOM
365
O
VAL
A
54
−38.707
−5.498
46.018
1.00
62.97
O

ATOM
366
N
LEU
A
55
−40.053
−5.612
47.577
1.00
62.71
N

ATOM
367
CA
LEU
A
55
−40.767
−6.851
47.852
1.00
63.43
C

ATOM
368
CB
LEU
A
55
−40.133
−7.542
49.076
1.00
64.87
C

ATOM
369
CG
LEU
A
55
−40.890
−8.408
50.085
1.00
64.09
C

ATOM
370
CD1
LEU
A
55
−40.178
−9.741
50.324
1.00
62.05
C

ATOM
371
CD2
LEU
A
55
−41.061
−7.632
51.373
1.00
66.79
C

ATOM
372
C
LEU
A
55
−42.274
−5.640
48.016
1.00
63.03
C

ATOM
373
O
LEU
A
55
−42.721
−5.608
48.514
1.00
63.11
O

ATOM
374
N
TRP
A
56
−43.044
−7.622
47.562
1.00
63.55
N

ATOM
375
CA
TRP
A
56
−44.500
−7.603
47.648
1.00
65.15
C

ATOM
376
CB
TRP
A
56
−45.139
−6.660
46.596
1.00
64.48
C

ATOM
377
CG
TRP
A
56
−45.042
−7.155
45.168
1.00
62.08
C

ATOM
378
CD1
TRP
A
56
−46.012
−7.806
44.460
1.00
58.07
C

ATOM
379
NE1
TRP
A
56
−45.557
−8.113
43.200
1.00
62.30
N

ATOM
380
CE2
TRP
A
56
−44.270
−7.661
43.067
1.00
58.42
C

ATOM
381
CD2
TRP
A
56
−43.908
−7.051
44.290
1.00
62.11
C

ATOM
382
CE3
TRP
A
56
−42.623
−6.500
44.416
1.00
55.21
C

ATOM
383
CZ3
TRP
A
56
−41.753
−6.581
43.331
1.00
57.44
C

ATOM
384
CH2
TRP
A
56
−42.145
−7.197
42.130
1.00
49.50
O

ATOM
385
CZ2
TRP
A
56
−43.390
−7.746
41.982
1.00
56.94
C

ATOM
386
C
TRP
A
56
−44.963
−9.039
47.467
1.00
67.87
C

ATOM
387
O
TRP
A
56
−44.144
−9.940
47.288
1.00
65.57
O

ATOM
388
N
MET
A
57
−46.275
−9.243
47.514
1.00
73.25
N

ATOM
389
CA
MET
A
57
−46.858
−10.569
47.367
1.00
77.77
C

ATOM
390
CB
MET
A
57
−47.339
−11.084
48.724
1.00
78.22
C

ATOM
391
CG
MET
A
57
−46.316
−11.922
49.458
1.00
80.27
C

ATOM
392
SD
MET
A
57
−47.142
−13.309
50.239
1.00
84.92
S

ATOM
393
CE
MET
A
57
−45.885
−14.577
50.171
1.00
73.51
C

ATOM
394
C
MET
A
57
−48.002
−10.572
46.358
1.00
80.34
C

ATOM
395
O
MET
A
57
−49.058
−9.995
46.617
1.00
81.58
O

ATOM
396
N
GLN
A
58
−67.790
−11.212
45.206
1.00
83.39
N

ATOM
397
CA
GLN
A
58
−48.800
−11.243
44.132
1.00
85.13
C

ATOM
398
CB
GLN
A
58
−48.158
−11.649
42.798
1.00
85.12
C

ATOM
399
CG
GLN
A
58
−48.044
−11.237
41.557
1.00
88.44
C

ATOM
400
CD
GLN
A
58
−48.759
−9.763
41.183
1.00
94.95
C

ATOM
401
CE1
GLN
A
58
−47.628
−9.269
41.063
1.00
97.26
O

ATOM
402
NE2
GLN
A
58
−49.877
−9.061
40.978
1.00
88.62
N

ATOM
403
C
GLN
A
58
−49.907
−12.224
44.524
1.00
85.89
C

ATOM
404
O
GLN
A
58
−49.665
−13.435
44.595
1.00
86.56
O

ATOM
405
N
GLY
A
59
−51.106
−11.697
44.792
1.00
86.45
N

ATOM
406
CA
GLY
A
59
−52.183
−12.479
45.420
1.00
86.30
C

ATOM
407
C
GLY
A
59
−51.741
−12.984
46.789
1.00
86.15
C

ATOM
408
O
GLY
A
59
−52.084
−12.396
47.818
1.00
85.66
O

ATOM
409
N
SER
A
60
−50.967
−14.074
46.781
1.00
86.54
N

ATOM
410
CA
SER
A
60
−50.328
−14.646
47.077
1.00
88.42
C

ATOM
411
CB
SER
A
60
−51.282
−15.606
48.692
1.00
86.85
C

ATOM
412
CG
SER
A
60
−52.384
−14.912
49.250
1.00
91.06
O

ATOM
413
C
SER
A
60
−49.003
−15.361
47.652
1.00
85.94
C

ATOM
414
O
SER
A
60
−48.595
−16.302
48.356
1.00
84.79
O

ATOM
415
N
GLN
A
61
−48.342
−14.899
46.588
1.00
85.77
N

ATOM
416
CA
GLN
A
61
−47.046
−15.432
46.142
1.00
84.80
C

ATOM
417
CB
GLN
A
61
−47.075
−15.619
44.621
1.00
85.28
C

ATOM
418
CG
GLN
A
61
−45.998
−18.555
44.053
1.00
87.32
C

ATOM
419
CD
GLN
A
61
−45.834
−10.433
42.534
1.00
90.33
O

ATOM
420
OE1
GLN
A
61
−44.942
−17.050
41.947
1.00
89.46
O

ATOM
421
NE2
GLN
A
61
−46.691
−15.632
41.896
1.00
89.99
N

ATOM
422
C
GLN
A
61
−45.916
−14.471
46.551
1.00
82.57
C

ATOM
423
O
GLN
A
61
−46.124
−13.257
46.544
1.00
83.01
O

ATOM
424
N
GLN
A
62
−44.734
−15.006
46.883
1.00
79.53
N

ATOM
425
CA
GLN
A
62
−43.600
−14.196
47.408
1.00
77.05
C

ATOM
426
CB
GLN
A
62
−42.821
−14.953
48.503
1.00
77.18
C

ATOM
427
CG
GLN
A
62
−42.581
−19.465
48.256
1.00
79.64
C

ATOM
428
CD
GLN
A
62
−43.462
−17.384
49.124
1.00
80.47
C

ATOM
429
CE1
GLN
A
62
−43.912
−17.002
50.507
1.00
80.30
O

ATOM
430
NE2
GLN
A
62
−43.687
−18.607
48.650
1.00
74.33
N

ATOM
431
C
GLN
A
62
−42.624
−13.612
46.361
1.00
75.34
C

ATOM
432
O
GLN
A
62
−41.641
−14.271
45.966
1.00
74.89
O

ATOM
433
N
CYS
A
63
−42.891
−12.364
45.947
1.00
72.09
N

ATOM
434
CA
CYS
A
63
−42.077
−11.656
44.940
1.00
68.14
C

ATOM
435
CB
CYS
A
63
−42.948
−11.156
43.787
1.00
67.43
C

ATOM
436
SG
CYS
A
63
−43.102
−12.439
42.561
1.00
69.81
S

ATOM
437
C
CYS
A
63
−41.209
−10.529
45.487
1.00
64.70
C

ATOM
438
O
CYS
A
63
−41.694
−9.643
46.192
1.00
63.54
O

ATOM
439
N
LYS
A
64
−39.925
−10.571
45.140
1.00
61.11
N

ATOM
440
CA
LYS
A
64
−38.945
−9.623
45.652
1.00
60.62
C

ATOM
441
CB
LYS
A
64
−38.438
−10.124
47.013
1.00
61.66
C

ATOM
442
CG
LYS
A
64
−37.121
−9.546
47.502
1.00
59.89
C

ATOM
443
CD
LYS
A
64
−36.775
−10.162
48.845
1.00
66.64
C

ATOM
444
CE
LYS
A
64
−35.316
−10.557
48.932
1.00
69.46
C

ATOM
445
NZ
LYS
A
64
−35.049
−11.304
50.206
1.00
74.77
N

ATOM
446
C
LYS
A
64
−37.778
−9.462
44.684
1.00
58.53
C

ATOM
447
O
LYS
A
64
−37.321
−10.449
44.123
1.00
59.50
O

ATOM
448
N
GLN
A
65
−37.313
−8.220
44.503
1.00
58.74
N

ATOM
449
CA
GLN
A
65
−36.104
−7.871
43.728
1.00
58.09
C

ATOM
450
CB
GLN
A
65
−36.440
−6.929
42.539
1.00
60.37
C

ATOM
451
CG
GLN
A
65
−35.238
−6.178
41.837
1.00
56.07
C

ATOM
452
CD
GLN
A
65
−35.650
−5.276
40.629
1.00
61.51
C

ATOM
453
OE1
GLN
A
65
−36.819
−5.018
40.398
1.00
55.38
O

ATOM
454
NE2
GLN
A
65
−34.670
−4.802
39.878
1.00
48.21
N

ATOM
455
C
GLN
A
65
−35.171
−7.164
44.683
1.00
58.95
C

ATOM
456
O
GLN
A
65
−35.602
−6.305
45.456
1.00
59.55
O

ATOM
457
N
THR
A
66
−33.894
−7.538
44.021
1.00
59.73
N

ATOM
458
CA
THR
A
66
−32.816
−7.001
45.473
1.00
56.02
C

ATOM
459
CB
THR
A
66
−32.144
−8.152
46.201
1.00
58.29
C

ATOM
460
CG1
THR
A
66
−33.136
−8.858
46.956
1.00
49.47
O

ATOM
461
CG2
THR
A
66
−31.028
−7.650
47.101
1.00
54.19
C

ATOM
462
C
THR
A
66
−31.755
−6.289
44.642
1.00
54.37
C

ATOM
463
O
THR
A
66
−31.249
−6.861
43.673
1.00
58.48
O

ATOM
464
N
SER
A
67
−31.419
−5.055
45.005
1.00
52.93
N

ATOM
465
CA
SER
A
67
−30.428
−4.254
44.250
1.00
52.06
C

ATOM
466
CB
SER
A
67
−31.129
−3.184
43.416
1.00
53.41
C

ATOM
467
OG
SER
A
67
−32.189
−3.759
42.686
1.00
46.25
O

ATOM
468
C
SER
A
67
−29.422
−3.555
45.163
1.00
53.75
C

ATOM
469
O
SER
A
67
−29.809
−2.696
45.971
1.00
53.81
O

ATOM
470
N
GLU
A
68
−28.141
−3.920
45.029
1.00
51.85
N

ATOM
471
CA
GLU
A
68
−27.045
−3.189
45.682
1.00
51.18
C

ATOM
472
CB
GLU
A
68
−25.757
−4.023
45.729
1.00
50.13
C

ATOM
473
CG
GLU
A
68
−25.890
−5.418
46.350
1.00
57.64
C

ATOM
474
CD
GLU
A
68
−24.662
−5.274
46.049
1.00
59.97
C

ATOM
475
OE1
GLU
A
68
−23.561
−5.680
45.938
1.00
55.31
O

ATOM
476
OE2
GLU
A
68
−24.801
−7.516
45.889
1.00
59.73
O

ATOM
477
C
GLU
A
68
−26.779
−1.935
44.891
1.00
46.59
C

ATOM
478
O
GLU
A
68
−26.958
−1.948
43.707
1.00
49.28
O

ATOM
479
N
TYR
A
69
−26.361
−0.853
45.557
1.00
47.22
N

ATOM
480
CA
TYR
A
69
−25.933
0.391
44.933
1.00
45.91
C

ATOM
481
CB
TYR
A
69
−26.921
1.487
45.295
1.00
47.99
C

ATOM
482
CG
TYR
A
69
−28.268
1.282
44.622
1.00
51.11
C

ATOM
483
CD1
TYR
A
69
−29.235
0.444
45.183
1.00
50.04
C

ATOM
484
CE1
TYR
A
69
−30.455
0.245
44.557
1.00
55.21
C

ATOM
485
CZ
TYR
A
69
−30.710
0.872
43.338
1.00
52.43
C

ATOM
486
OH
TYR
A
69
−31.910
0.681
42.690
1.00
58.22
O

ATOM
487
CE2
TYR
A
69
−29.761
1.689
42.751
1.00
50.26
C

ATOM
488
CD2
TYR
A
69
−28.547
1.886
43.395
1.00
55.81
C

ATOM
489
C
TYR
A
69
−24.522
0.795
45.382
1.00
49.36
C

ATOM
490
O
TYR
A
69
−23.860
1.634
44.750
1.00
48.87
O

ATOM
491
N
LEU
A
70
−24.083
0.202
46.492
1.00
49.78
N

ATOM
492
CA
LEU
A
70
−22.746
0.419
47.068
1.00
50.35
C

ATOM
493
CB
LEU
A
70
−22.837
1.304
48.324
1.00
51.30
C

ATOM
494
CG
LEU
A
70
−21.568
1.882
49.083
1.00
48.16
C

ATOM
495
CD1
LEU
A
70
−20.706
2.624
48.264
1.00
51.09
C

ATOM
496
CD2
LEU
A
70
−21.898
2.310
50.459
1.00
46.55
C

ATOM
497
C
LEU
A
70
−22.190
−0.921
47.473
1.00
50.36
C

ATOM
498
O
LEU
A
70
−22.874
−1.704
48.129
1.00
48.31
O

ATOM
499
N
ARG
A
71
−20.936
−1.172
47.110
1.00
53.92
N

ATOM
500
CA
ARG
A
71
−20.223
−2.349
47.562
1.00
56.06
C

ATOM
501
CB
ARG
A
71
−20.506
−3.547
46.658
1.00
58.71
C

ATOM
502
CG
ARG
A
71
−19.949
−4.878
47.151
1.00
62.74
C

ATOM
503
CD
ARG
A
71
−20.226
−5.899
46.077
1.00
75.68
C

ATOM
504
NE
ARG
A
71
−20.713
−7.175
46.592
1.00
81.75
N

ATOM
505
CZ
ARG
A
71
−21.447
−8.033
45.886
1.00
88.02
C

ATOM
506
NH1
ARG
A
71
−21.810
−7.740
44.632
1.00
80.15
N

ATOM
507
NH2
ARG
A
71
−21.838
−0.178
48.441
1.00
91.67
N

ATOM
508
C
ARG
A
71
−18.750
−2.011
47.511
1.00
56.15
C

ATOM
509
O
ARG
A
71
−18.130
−2.087
46.454
1.00
56.63
O

ATOM
510
N
TYR
A
72
−18.199
−1.645
48.662
1.00
54.44
N

ATOM
511
CA
TYR
A
72
−16.859
−1.114
48.724
1.00
50.00
C

ATOM
512
CB
TYR
A
72
−16.922
0.380
49.016
1.00
47.16
C

ATOM
513
CG
TYR
A
72
−15.598
0.967
49.428
1.00
52.88
C

ATOM
514
CD1
TYR
A
72
−14.674
1.368
48.471
1.00
50.97
C

ATOM
515
CE1
TYR
A
72
−13.458
1.907
48.833
1.00
46.21
C

ATOM
516
CZ
TYR
A
72
−13.152
2.049
50.166
1.00
46.41
C

ATOM
517
OH
TYR
A
72
−11.934
2.577
50.524
1.00
44.54
O

ATOM
518
CE2
TYR
A
72
−14.048
1.650
51.146
1.00
43.15
C

ATOM
519
CD2
TYR
A
72
−15.263
1.111
50.772
1.00
47.55
C

ATOM
520
C
TYR
A
72
−16.090
−1.846
49.811
1.00
50.40
C

ATOM
521
O
TYR
A
72
−16.572
−1.956
50.938
1.00
50.39
O

ATOM
522
N
GLU
A
73
−14.916
−2.369
49.479
1.00
50.33
N

ATOM
523
CA
GLU
A
73
−14.066
−2.951
50.508
1.00
51.18
C

ATOM
524
CB
GLU
A
73
−14.106
−4.474
50.480
1.00
54.38
C

ATOM
525
CG
GLU
A
73
−13.557
−5.087
49.233
1.00
53.41
C

ATOM
526
CD
GLU
A
73
−14.402
−6.249
48.757
1.00
74.91
C

ATOM
527
OC1
GLU
A
73
−14.957
−6.967
49.621
1.00
72.25
O

ATOM
528
OE2
GLU
A
73
−14.514
−5.433
47.521
1.00
78.38
O

ATOM
529
C
GLU
A
73
−12.653
−2.415
50.439
1.00
45.98
C

ATOM
530
O
GLU
A
73
−12.184
−2.106
49.369
1.00
43.91
O

ATOM
531
N
ASP
A
74
−12.021
−2.254
51.609
1.00
45.84
N

ATOM
532
CA
ASP
A
74
−10.652
−1.724
51.748
1.00
44.96
C

ATOM
533
CB
ASP
A
74
−10.688
−0.183
51.823
1.00
49.53
C

ATOM
534
CG
ASP
A
74
−9.309
0.474
51.566
1.00
56.87
C

ATOM
535
OD1
ASP
A
74
−8.541
−0.055
50.729
1.00
67.82
O

ATOM
536
OD2
ASP
A
74
−9.016
1.541
52.180
1.00
56.03
O

ATOM
537
C
ASP
A
74
−9.964
−2.291
53.002
1.00
41.01
C

ATOM
538
O
ASP
A
74
−10.610
−2.613
53.977
1.00
38.44
O

ATOM
539
N
THR
A
75
−8.647
−2.417
52.967
1.00
40.45
N

ATOM
540
CA
THR
A
75
−7.894
−2.865
54.132
1.00
37.90
C

ATOM
541
CB
THR
A
75
−6.846
−3.914
53.695
1.00
40.57
C

ATOM
542
OG1
THR
A
75
−7.525
−5.138
53.385
1.00
42.88
C

ATOM
543
CG2
THR
A
75
−5.892
−4.218
54.791
1.00
31.51
C

ATOM
544
C
THR
A
75
−7.263
−1.603
54.738
1.00
40.02
C

ATOM
545
O
THR
A
75
−6.594
−0.856
54.038
1.00
42.70
O

ATOM
546
N
LEU
A
76
−7.521
−1.321
56.015
1.00
39.42
N

ATOM
547
CA
LEU
A
76
−7.096
−0.066
56.542
1.00
39.12
C

ATOM
548
CB
LEU
A
76
−8.113
0.474
57.540
1.00
42.54
C

ATOM
549
CG
LEU
A
76
−8.557
0.410
57.077
1.00
36.06
C

ATOM
550
CD1
LEU
A
76
−10.447
0.932
58.162
1.00
40.15
C

ATOM
551
CD2
LEU
A
76
−8.779
1.173
55.729
1.00
36.92
C

ATOM
552
C
LEU
A
76
−5.701
−1.191
57.142
1.00
42.81
C

ATOM
553
O
LEU
A
76
−5.284
−1.281
57.548
1.00
40.73
O

ATOM
554
N
LEU
A
77
−4.977
0.928
57.165
1.00
45.19
N

ATOM
555
CA
LEU
A
77
−3.585
0.947
57.595
1.00
48.39
C

ATOM
556
CB
LEU
A
77
−2.657
1.166
56.400
1.00
48.93
C

ATOM
557
CG
LEU
A
77
−2.926
0.401
55.110
1.00
55.02
C

ATOM
558
CD1
LEU
A
77
−1.947
0.894
54.066
1.00
53.76
C

ATOM
559
CD2
LEU
A
77
−2.803
−1.125
55.328
1.00
59.53
C

ATOM
560
C
LEU
A
77
−3.335
2.052
58.600
1.00
48.79
C

ATOM
561
O
LEU
A
77
−3.891
3.137
58.483
1.00
51.15
O

ATOM
562
N
LEU
A
78
−2.479
1.757
59.569
1.00
47.74
N

ATOM
563
CA
LEU
A
78
−2.021
2.707
60.587
1.00
47.62
C

ATOM
564
CB
LEU
A
78
−1.602
1.941
61.840
1.00
44.26
C

ATOM
565
CG
LEU
A
78
−2.638
1.267
62.723
1.00
44.18
C

ATOM
566
CD1
LEU
A
78
−1.943
0.543
63.832
1.00
40.21
C

ATOM
567
CD2
LEU
A
78
−3.593
2.289
63.293
1.00
48.42
C

ATOM
568
C
LEU
A
78
−0.798
3.475
60.084
1.00
48.70
C

ATOM
569
O
LEU
A
78
0.169
2.853
59.572
1.00
47.63
O

ATOM
570
N
GLU
A
79
−0.820
4.801
60.254
1.00
47.34
N

ATOM
571
CA
GLU
A
79
0.290
5.658
59.830
1.00
47.13
O

ATOM
572
CB
GLU
A
79
−0.069
7.127
60.033
1.00
48.90
C

ATOM
573
CG
GLU
A
79
−1.264
7.621
59.166
1.00
56.68
C

ATOM
574
CD
GLU
A
79
−1.831
9.099
59.412
1.00
62.45
C

ATOM
575
OE1
GLU
A
79
−2.753
9.515
59.028
1.00
65.92
O

ATOM
576
OE2
GLU
A
79
−0.803
9.041
59.997
1.00
70.57
O

ATOM
577
C
GLU
A
79
1.615
5.309
60.557
1.00
46.77
C

ATOM
578
O
GLU
A
79
2.715
5.495
60.012
1.00
44.83
O

ATOM
579
N
ASP
A
80
1.516
4.778
61.770
1.00
42.42
N

ATOM
580
CA
ASP
A
80
2.747
4.416
62.495
1.00
43.38
C

ATOM
581
CB
ASP
A
80
2.573
4.592
63.991
1.00
40.96
C

ATOM
582
CG
ASP
A
80
3.926
4.594
64.742
1.00
47.92
C

ATOM
583
OD1
ASP
A
80
4.787
5.469
64.473
1.00
38.09
O

ATOM
584
OD2
ASP
A
80
4.121
3.707
65.591
1.00
45.11
O

ATOM
585
C
ASP
A
80
3.257
3.005
62.164
1.00
43.58
C

ATOM
586
O
ASP
A
80
4.247
2.534
62.740
1.00
46.01
O

ATOM
587
N
GLN
A
81
2.582
2.331
61.235
1.00
40.56
N

ATOM
588
CA
GLN
A
81
3.008
1.010
60.778
1.00
39.95
C

ATOM
589
CB
GLN
A
81
1.998
−0.062
61.182
1.00
38.95
C

ATOM
590
CG
GLN
A
81
1.773
−0.129
62.721
1.00
44.05
C

ATOM
591
CD
GLN
A
81
2.974
−0.682
63.544
1.00
53.15
C

ATOM
592
OE1
GLN
A
81
3.862
−1.369
63.021
1.00
48.14
O

ATOM
593
NE2
GLN
A
81
2.964
−0.402
64.849
1.00
49.52
N

ATOM
594
C
GLN
A
81
3.234
1.005
59.271
1.00
41.11
C

ATOM
595
O
GLN
A
81
2.413
0.474
58.516
1.00
41.63
O

ATOM
596
N
PRO
A
82
4.389
1.536
56.823
1.00
41.29
N

ATOM
597
CA
PRO
A
82
4.555
1.840
57.397
1.00
40.58
C

ATOM
598
CB
PRO
A
82
5.705
2.830
57.415
1.00
37.60
C

ATOM
599
CG
PRO
A
82
6.584
2.360
58.583
1.00
42.53
C

ATOM
600
CD
PRO
A
82
5.627
1.776
59.594
1.00
39.97
C

ATOM
601
C
PRO
A
82
4.970
0.622
56.557
1.00
42.08
C

ATOM
602
O
PRO
A
82
5.126
0.730
55.320
1.00
40.29
O

ATOM
603
N
THR
A
83
5.158
−1.516
57.220
1.00
40.49
N

ATOM
604
CA
THR
A
83
5.902
−1.634
56.622
1.00
43.60
C

ATOM
605
CB
THR
A
83
6.615
−2.465
57.704
1.00
43.28
C

ATOM
606
OG1
THR
A
83
5.779
−2.553
58.851
1.00
48.15
O

ATOM
607
CG2
THR
A
83
7.915
−1.759
58.094
1.00
47.93
C

ATOM
608
C
THR
A
83
5.114
−2.529
55.661
1.00
43.45
C

ATOM
609
O
THR
A
83
5.717
−3.214
54.827
1.00
47.76
O

ATOM
610
N
GLY
A
84
3.788
−2.522
55.766
1.00
37.71
N

ATOM
611
CA
GLY
A
84
2.971
−3.368
54.914
1.00
36.96
C

ATOM
612
C
GLY
A
84
2.161
−4.433
55.619
1.00
36.00
C

ATOM
613
O
GLY
A
84
2.328
−4.660
56.807
1.00
36.63
O

ATOM
614
N
GLU
A
85
1.288
−5.085
54.861
1.00
85.31
N

ATOM
615
CA
GLU
A
85
0.293
−6.034
55.370
1.00
38.29
C

ATOM
616
CB
GLU
A
85
−0.771
−6.229
54.299
1.00
42.86
C

ATOM
617
CG
GLU
A
85
−1.690
−5.057
54.130
1.00
38.03
C

ATOM
618
CD
GLU
A
85
−2.438
−5.157
52.809
1.00
56.88
C

ATOM
619
OE1
GLU
A
85
−3.084
−6.223
52.574
1.00
40.32
O

ATOM
620
OE2
GLU
A
85
−2.383
−4.170
52.026
1.00
46.73
O

ATOM
621
C
GLU
A
85
0.821
−7.418
55.729
1.00
38.31
C

ATOM
622
O
GLU
A
85
0.115
−8.198
56.361
1.00
41.46
O

ATOM
623
N
ASN
A
86
2.032
−7.738
55.302
1.00
34.08
N

ATOM
624
CA
ASN
A
86
2.642
−9.022
55.634
1.00
31.68
C

ATOM
625
CB
ASN
A
86
3.414
−9.554
54.436
1.00
31.32
C

ATOM
626
CG
ASN
A
86
4.493
−8.595
53.963
1.00
36.13
C

ATOM
627
OD1
ASN
A
86
4.349
−7.370
54.087
1.00
31.16
O

ATOM
628
ND2
ASN
A
86
5.590
−9.149
53.430
1.00
28.42
N

ATOM
629
C
ASN
A
86
3.521
−8.891
55.911
1.00
30.52
C

ATOM
630
O
ASN
A
86
4.409
−9.689
57.175
1.00
31.81
O

ATOM
631
N
GLU
A
87
3.244
7.857
57.700
1.00
34.00
N

ATOM
632
CA
GLU
A
87
3.829
−7.677
59.030
1.00
36.36
C

ATOM
633
CB
GLU
A
87
4.898
−6.583
58.999
1.00
38.96
C

ATOM
634
CG
GLU
A
87
5.567
−6.340
60.307
1.00
46.65
C

ATOM
635
CD
GLU
A
87
7.011
−6.812
60.352
1.00
50.83
C

ATOM
636
OE1
GLU
A
87
7.786
−6.029
60.956
1.00
60.51
O

ATOM
637
OE2
GLU
A
87
7.373
−7.913
59.810
1.00
61.73
O

ATOM
638
C
GLU
A
87
2.674
−7.291
59.937
1.00
36.27
C

ATOM
639
O
GLU
A
87
1.932
−6.334
59.663
1.00
35.82
O

ATOM
640
N
MET
A
88
2.440
−8.081
60.971
1.00
33.78
N

ATOM
641
CA
MET
A
88
1.327
−7.788
61.871
1.00
35.63
C

ATOM
642
CB
MET
A
88
0.964
−9.006
62.710
1.00
33.08
C

ATOM
643
CG
MET
A
88
0.562
−10.208
61.841
1.00
41.93
C

ATOM
644
SD
MET
A
88
−0.080
−11.557
62.845
1.00
40.90
S

ATOM
645
CE
MET
A
88
1.407
−12.350
63.378
1.00
41.38
C

ATOM
646
C
MET
A
88
1.704
−6.657
62.793
1.00
35.10
C

ATOM
647
O
MET
A
88
2.880
−6.430
63.034
1.00
36.73
O

ATOM
648
N
VAL
A
89
0.688
−5.991
63.320
1.00
32.63
N

ATOM
649
CA
VAL
A
89
0.808
−4.861
64.238
1.00
36.86
C

ATOM
650
CB
VAL
A
89
−0.288
−3.854
63.913
1.00
34.27
C

ATOM
651
CG1
VAL
A
89
−0.500
−2.849
65.058
1.00
42.87
C

ATOM
652
CG2
VAL
A
89
0.075
−3.141
62.641
1.00
39.71
C

ATOM
653
C
VAL
A
89
0.615
−5.342
65.675
1.00
38.29
C

ATOM
654
O
VAL
A
89
−0.250
−6.170
65.930
1.00
34.53
O

ATOM
655
N
ILE
A
90
1.438
−4.841
66.598
1.00
39.52
N

ATOM
656
CA
ILE
A
90
1.300
−5.158
68.029
1.00
38.49
C

ATOM
657
CB
ILE
A
90
2.653
−5.426
68.724
1.00
41.87
C

ATOM
658
CG1
ILE
A
90
3.468
−6.463
67.944
1.00
40.23
C

ATOM
659
CD1
ILE
A
90
4.927
−5.480
68.352
1.00
47.34
C

ATOM
660
CG2
ILE
A
90
2.421
−5.915
70.167
1.00
43.28
C

ATOM
661
C
ILE
A
90
0.612
−3.997
68.687
1.00
37.39
C

ATOM
662
O
ILE
A
90
1.080
−2.862
68.604
1.00
37.39
O

ATOM
663
N
MET
A
91
−0.530
−4.288
69.297
1.00
35.28
N

ATOM
664
CA
MET
A
91
−1.364
−3.288
69.913
1.00
37.51
C

ATOM
665
CB
MET
A
91
−2.825
−3.511
69.519
1.00
35.03
C

ATOM
666
CG
MET
A
91
−3.223
−3.095
68.087
1.00
37.44
C

ATOM
667
SD
MET
A
91
−5.038
−3.020
67.937
1.00
42.12
S

ATOM
668
CE
MET
A
91
−5.302
−2.355
66.287
1.00
34.91
C

ATOM
669
C
MET
A
91
−1.207
−3.458
71.430
1.00
39.53
C

ATOM
670
O
MET
A
91
−1.114
−4.583
71.921
1.00
38.75
O

ATOM
671
N
ARG
A
92
−1.166
−2.349
72.155
1.00
41.91
N

ATOM
672
CA
ARG
A
92
−0.945
−2.386
73.622
1.00
44.30
C

ATOM
673
CB
ARG
A
92
0.477
−1.901
73.957
1.00
43.70
C

ATOM
674
CG
ARG
A
92
1.531
−2.890
73.549
1.00
52.63
C

ATOM
675
CD
ARG
A
92
2.821
−2.252
73.135
1.00
61.18
C

ATOM
676
NE
ARG
A
92
3.595
−3.209
72.348
1.00
71.89
N

ATOM
677
CZ
ARG
A
92
4.888
−3.095
72.054
1.00
75.40
C

ATOM
678
NH1
ARG
A
92
5.503
−2.055
72.494
1.00
80.30
N

ATOM
679
NH2
ARG
A
92
5.479
−4.034
71.321
1.00
69.26
N

ATOM
680
C
ARG
A
92
−1.996
−1.544
74.358
1.00
45.88
C

ATOM
681
O
ARG
A
92
−2.490
−0.563
73.788
1.00
44.78
O

ATOM
682
N
PRO
A
93
−2.347
−1.920
75.624
1.00
48.00
N

ATOM
683
CA
PRO
A
93
−3.340
−1.126
76.369
1.00
51.33
C

ATOM
684
CB
PRO
A
93
−3.477
−1.880
77.698
1.00
50.10
C

ATOM
685
CG
PRO
A
93
−2.261
−2.701
77.800
1.00
48.34
C

ATOM
686
CD
PRO
A
93
−1.883
−3.075
76.414
1.00
47.04
C

ATOM
687
C
PRO
A
93
−2.885
0.313
76.608
1.00
53.79
C

ATOM
688
O
PRO
A
93
−1.682
0.575
76.660
1.00
45.61
O

ATOM
689
N
GLY
A
94
3.842
1.232
76.729
1.00
55.57
N

ATOM
690
CA
GLY
A
94
−3.539
2.652
76.941
1.00
56.73
C

ATOM
691
C
GLY
A
94
−3.528
3.494
75.670
1.00
59.14
C

ATOM
692
O
GLY
A
94
−3.513
4.732
75.736
1.00
60.44
O

ATOM
693
N
ASN
A
95
−3.549
2.824
74.515
1.00
58.63
N

ATOM
694
CA
ASN
A
95
−3.504
3.486
73.222
1.00
56.90
C

ATOM
695
CB
ASN
A
95
−2.379
2.915
72.351
1.00
58.47
C

ATOM
696
CG
ASN
A
95
−1.060
2.796
73.086
1.00
58.13
C

ATOM
697
OD1
ASN
A
95
−0.398
3.794
73.362
1.00
63.55
O

ATOM
698
ND2
ASN
A
95
−0.553
1.566
73.385
1.00
56.04
N

ATOM
699
C
ASN
A
95
−4.803
3.309
72.470
1.00
56.08
C

ATOM
700
O
ASN
A
95
−5.478
2.284
72.612
1.00
54.70
O

ATOM
701
N
LYS
A
96
−5.132
4.325
71.671
1.00
54.48
N

ATOM
702
CA
LYS
A
96
−6.247
4.301
70.731
1.00
53.29
C

ATOM
703
CB
LYS
A
96
−7.072
5.582
70.842
1.00
54.05
C

ATOM
704
CG
LYS
A
96
−7.718
5.809
72.200
1.00
61.90
C

ATOM
705
CD
LYS
A
96
−8.767
6.934
72.131
1.00
65.14
C

ATOM
706
CE
LYS
A
96
−8.147
8.320
72.341
1.00
71.01
C

ATOM
707
NZ
LYS
A
96
−9.193
9.387
72.459
1.00
72.08
N

ATOM
708
C
LYS
A
96
−5.694
4.193
69.316
1.00
50.39
C

ATOM
709
O
LYS
A
96
−5.046
5.119
68.820
1.00
51.44
O

ATOM
710
N
TYR
A
97
−5.941
3.055
68.675
1.00
46.86
N

ATOM
711
CA
TYR
A
97
−5.465
2.821
67.323
1.00
44.01
C

ATOM
712
CB
TYR
A
97
−5.006
1.370
67.140
1.00
43.81
C

ATOM
713
CG
TYR
A
97
−3.915
0.991
68.112
1.00
39.41
C

ATOM
714
CD1
TYR
A
97
−2.571
1.087
67.756
1.00
41.11
C

ATOM
715
CE1
TYR
A
97
−1.564
0.772
58.671
1.00
34.77
C

ATOM
716
CZ
TYR
A
97
−1.810
0.341
59.942
1.00
38.97
C

ATOM
717
OH
TYR
A
97
−0.924
0.000
70.847
1.00
38.09
O

ATOM
718
CE2
TYR
A
97
−3.238
0.245
70.313
1.00
33.23
C

ATOM
719
CD2
TYR
A
97
−4.226
0.569
69.409
1.00
36.44
C

ATOM
720
C
TYR
A
97
−6.608
3.180
66.396
1.00
44.77
C

ATOM
721
O
TYR
A
97
−7.687
2.577
66.462
1.00
44.28
O

ATOM
722
N
GLU
A
98
−6.375
4.212
65.585
1.00
43.81
N

ATOM
723
CA
GLU
A
98
−7.399
4.790
64.718
1.00
46.46
C

ATOM
724
CB
GLU
A
98
−7.605
6.295
65.002
1.00
47.30
C

ATOM
725
CG
GLU
A
98
−7.604
6.649
66.493
1.00
49.79
C

ATOM
726
CD
GLU
A
98
−7.980
8.105
66.790
1.00
58.90
C

ATOM
727
OE1
GLU
A
98
−7.852
8.981
65.903
1.00
55.83
O

ATOM
728
OE2
GLU
A
98
−8.397
8.370
67.937
1.00
64.93
O

ATOM
729
C
GLU
A
98
−6.983
4.576
63.289
1.00
44.45
C

ATOM
730
O
GLU
A
98
−5.941
5.071
62.845
1.00
43.75
O

ATOM
731
N
TYR
A
99
−7.816
3.813
82.586
1.00
44.30
N

ATOM
732
CA
TYR
A
99
−7.653
3.519
61.172
1.00
41.40
C

ATOM
733
CB
TYR
A
99
−8.060
2.071
60.909
1.00
39.58
C

ATOM
734
CG
TYR
A
99
−7.176
1.002
61.518
1.00
34.37
C

ATOM
735
CD1
TYR
A
99
−6.224
0.371
60.735
1.00
36.00
C

ATOM
736
CE1
TYR
A
99
−5.421
−0.617
61.222
1.00
39.51
C

ATOM
737
CZ
TYR
A
99
−5.526
−1.020
62.520
1.00
39.71
C

ATOM
738
OH
TYR
A
99
−4.659
−2.031
62.904
1.00
32.47
O

ATOM
739
CE2
TYR
A
99
−6.465
−0.429
63.364
1.00
35.31
C

ATOM
740
CD2
TYR
A
99
−7.326
0.581
62.841
1.00
32.04
C

ATOM
741
C
TYR
A
99
−8.581
4.415
60.358
1.00
44.84
C

ATOM
742
O
TYR
A
99
−9.792
4.368
60.528
1.00
44.89
O

ATOM
743
N
LYS
A
100
−8.013
5.231
59.481
1.00
46.39
N

ATOM
744
CA
LYS
A
100
−8.817
6.094
58.604
1.00
48.94
C

ATOM
745
CB
LYS
A
100
−7.927
7.139
57.933
1.00
48.73
C

ATOM
746
CG
LYS
A
100
−7.381
8.217
58.820
1.00
50.38
O

ATOM
747
CD
LYS
A
100
−6.728
9.277
57.940
1.00
63.06
C

ATOM
748
CE
LYS
A
100
−6.681
10.632
58.615
1.00
64.22
C

ATOM
749
NZ
LYS
A
100
−6.672
11.719
57.595
1.00
69.28
N

ATOM
750
C
LYS
A
100
−9.506
5.287
57.494
1.00
48.75
C

ATOM
751
O
LYS
A
100
−8.868
4.456
56.845
1.00
48.86
O

ATOM
752
N
PHE
A
101
−10.802
5.532
57.294
1.00
50.23
N

ATOM
753
CA
PHE
A
101
−11.522
5.083
56.086
1.00
52.22
C

ATOM
754
CB
PHE
A
101
−12.480
3.922
56.373
1.00
51.76
C

ATOM
755
CG
PHE
A
101
−13.731
4.304
57.103
1.00
51.29
C

ATOM
756
CD1
PHE
A
101
−14.839
4.774
56.411
1.00
48.87
C

ATOM
757
CE1
PHE
A
101
−16.019
5.122
57.087
1.00
49.84
C

ATOM
758
CZ
PHE
A
101
−16.104
4.950
58.474
1.00
51.47
C

ATOM
759
CE2
PHE
A
101
−15.002
4.457
59.179
1.00
56.33
C

ATOM
760
CD2
PHE
A
101
−13.824
4.128
58.485
1.00
51.95
C

ATOM
761
C
PHE
A
101
−12.228
6.214
55.331
1.00
52.66
C

ATOM
762
O
PHE
A
101
−12.476
7.287
55.871
1.00
54.30
O

ATOM
763
N
GLY
A
102
−12.541
5.965
54.067
1.00
53.72
N

ATOM
764
CA
GLY
A
102
−13.197
6.962
53.235
1.00
51.75
C

ATOM
765
C
GLY
A
102
−13.583
6.368
51.903
1.00
51.33
C

ATOM
766
O
GLY
A
102
−12.762
5.746
51.236
1.00
52.31
O

ATOM
767
N
PHE
A
103
−14.847
6.528
51.534
1.00
50.77
N

ATOM
768
CA
PHE
A
103
15.329
8.094
50.224
1.00
52.26
C

ATOM
769
CB
PHE
A
103
−15.889
4.666
50.289
1.00
49.56
C

ATOM
770
CG
PHE
A
103
−17.013
4.496
51.290
1.00
51.52
C

ATOM
771
CD1
PHE
A
103
−18.338
4.615
50.897
1.00
45.80
C

ATOM
772
CE1
PHE
A
103
−19.363
4.485
51.821
1.00
43.96
C

ATOM
773
CZ
PHE
A
103
−19.075
4.218
53.161
1.00
47.77
C

ATOM
774
CE2
PHE
A
103
−17.755
4.088
53.569
1.00
39.23
C

ATOM
775
CD2
PHE
A
103
−16.734
4.234
52.633
1.00
49.51
C

ATOM
776
C
PHE
A
103
−16.395
7.082
49.723
1.00
55.81
C

ATOM
777
O
PHE
A
103
−17.118
7.685
50.516
1.00
55.38
O

ATOM
778
N
GLU
A
104
−16.465
7.242
48.402
1.00
59.28
N

ATOM
779
CA
GLU
A
104
−17.434
8.120
47.751
1.00
62.14
C

ATOM
780
CB
GLU
A
104
−16.787
8.777
46.525
1.00
61.30
C

ATOM
781
CG
GLU
A
104
−17.206
10.210
46.297
1.00
68.34
C

ATOM
782
CD
GLU
A
104
−16.127
11.056
45.636
1.00
77.56
C

ATOM
783
OE1
GLU
A
104
−15.995
12.241
46.020
1.00
77.02
O

ATOM
784
OE2
GLU
A
104
−15.409
10.548
44.743
1.00
78.57
O

ATOM
785
C
GLU
A
104
−18.654
7.296
47.337
1.00
62.30
C

ATOM
786
O
GLU
A
104
−18.503
6.232
46.711
1.00
60.48
O

ATOM
787
N
LEU
A
105
−19.847
7.772
47.710
1.00
62.06
N

ATOM
788
CA
LEU
A
105
−21.105
7.141
47.294
1.00
63.01
C

ATOM
789
CB
LEU
A
105
−22.281
7.688
48.117
1.00
62.52
O

ATOM
790
CG
LEU
A
105
−22.470
7.338
49.602
1.00
59.69
C

ATOM
791
CD1
LEU
A
105
−23.369
8.387
50.245
1.00
56.22
C

ATOM
792
CD2
LEU
A
105
−23.037
5.932
49.840
1.00
44.46
C

ATOM
793
C
LEU
A
105
−21.333
7.372
45.779
1.00
64.76
C

ATOM
794
O
LEU
A
105
−20.725
8.280
45.204
1.00
65.38
O

ATOM
795
N
PRO
A
106
−22.178
6.540
45.124
1.00
65.41
N

ATOM
796
CA
PRO
A
106
−22.394
6.699
43.675
1.00
68.25
C

ATOM
797
CB
PRO
A
106
−23.214
6.458
43.298
1.00
67.60
C

ATOM
798
CG
PRO
A
106
−23.139
4.540
44.477
1.00
66.25
C

ATOM
799
CD
PRO
A
106
−22.958
5.411
45.661
1.00
64.87
C

ATOM
800
C
PRO
A
106
−28.185
7.954
43.284
1.00
70.34
C

ATOM
801
O
GLN
A
106
−23.939
8.495
44.103
1.00
69.70
O

ATOM
802
N
GLN
A
107
−22.982
8.403
42.042
1.00
73.01
N

ATOM
803
CA
GLN
A
107
−23.863
9.373
41.374
1.00
75.06
C

ATOM
804
CB
GLN
A
107
−23.161
10.020
40.178
1.00
74.56
C

ATOM
805
CG
GLN
A
107
−22.902
11.510
40.324
1.00
79.53
C

ATOM
806
CD
GLN
A
107
−21.621
11.828
41.074
1.00
85.01
C

ATOM
807
OE1
GLN
A
107
−21.133
11.027
41.872
1.00
91.44
O

ATOM
808
NE2
GLN
A
107
−21.071
13.011
40.822
1.00
87.28
N

ATOM
809
C
GLN
A
107
−25.130
8.686
40.886
1.00
76.17
C

ATOM
810
O
GLN
A
107
−25.067
7.591
40.314
1.00
78.58
O

ATOM
811
N
GLY
A
108
−26.276
9.325
41.102
1.00
75.22
N

ATOM
812
CA
GLY
A
108
−27.542
8.766
40.647
1.00
73.94
C

ATOM
813
C
GLY
A
108
−28.294
7.959
41.695
1.00
73.32
C

ATOM
814
O
GLY
A
108
−28.259
8.295
42.888
1.00
72.45
O

ATOM
815
N
PRO
A
109
−28.978
6.877
41.262
1.00
73.10
N

ATOM
816
CA
PRO
A
109
−29.936
6.239
42.170
1.00
72.89
C

ATOM
817
CB
PRO
A
109
−30.608
5.167
41.294
1.00
72.33
C

ATOM
818
CG
PRO
A
109
−29.608
4.860
40.233
1.00
71.89
C

ATOM
819
CD
PRO
A
109
−28.882
6.165
39.972
1.00
73.82
C

ATOM
820
C
PRO
A
109
−29.224
5.627
43.379
1.00
71.83
C

ATOM
821
O
PRO
A
109
−28.201
4.944
43.219
1.00
70.07
O

ATOM
822
N
LEU
A
110
−29.741
5.915
44.573
1.00
70.62
N

ATOM
823
CA
LEU
A
110
−29.172
5.371
45.795
1.00
69.97
C

ATOM
824
CB
LEU
A
110
−28.857
6.480
46.810
1.00
69.60
C

ATOM
825
CG
LEU
A
110
−27.762
7.479
46.389
1.00
72.16
C

ATOM
826
CD1
LEU
A
110
27.726
8.689
47.300
1.00
75.23
C

ATOM
827
CD2
LEU
A
110
−26.366
6.851
46.275
1.00
68.21
C

ATOM
828
C
LEU
A
110
−30.075
4.284
46.366
1.00
70.53
C

ATOM
829
O
LEU
A
110
−29.809
3.736
47.443
1.00
69.90
O

ATOM
830
N
GLY
A
111
−31.130
3.961
45.620
1.00
70.97
N

ATOM
831
CA
GLY
A
111
−32.045
2.882
45.994
1.00
73.80
C

ATOM
832
C
GLY
A
111
−33.151
3.333
46.920
1.00
76.84
C

ATOM
833
O
GLY
A
111
−33.915
2.516
47.448
1.00
77.20
O

ATOM
834
N
THR
A
112
−33.238
4.646
47.103
1.00
79.00
N

ATOM
835
CA
THR
A
112
−34.171
5.257
48.037
1.00
81.08
C

ATOM
836
CB
THR
A
112
−33.539
6.576
48.642
1.00
81.45
C

ATOM
837
OG1
THR
A
112
−34.199
6.958
49.857
1.00
76.66
O

ATOM
838
CG2
THR
A
112
−33.520
7.734
47.627
1.00
80.97
C

ATOM
839
C
THR
A
112
−35.533
5.437
47.330
1.00
83.15
C

ATOM
840
O
THR
A
112
−36.466
6.030
47.881
1.00
83.29
O

ATOM
841
N
SER
A
113
−35.630
4.862
46.123
1.00
84.97
N

ATOM
842
CA
SER
A
113
−36.783
5.006
45.212
1.00
86.24
C

ATOM
843
CB
SER
A
113
−36.508
4.322
43.858
1.00
85.72
C

ATOM
844
OG
SER
A
113
−35.984
3.010
44.016
1.00
85.21
O

ATOM
845
C
SER
A
113
−38.112
4.530
45.801
1.00
87.57
C

ATOM
846
O
SER
A
113
−39.057
5.321
45.924
1.00
88.79
O

ATOM
847
N
PHE
A
114
−38.181
3.247
46.158
1.00
88.74
N

ATOM
848
CA
PHE
A
114
−39.373
2.679
46.794
1.00
89.16
C

ATOM
849
CB
PHE
A
114
−39.990
1.554
45.948
1.00
89.42
C

ATOM
850
CG
PHE
A
114
−40.243
1.954
44.528
1.00
91.03
C

ATOM
851
CD1
PHE
A
114
−41.250
2.874
44.221
1.00
93.20
C

ATOM
852
CE1
PHE
A
114
−41.477
3.273
42.915
1.00
93.51
C

ATOM
853
CZ
PHE
A
114
−40.689
2.757
41.894
1.00
95.40
C

ATOM
854
CE2
PHE
A
114
−39.676
1.837
42.188
1.00
94.28
C

ATOM
855
CD2
PHE
A
114
−39.458
1.445
43.501
1.00
88.88
C

ATOM
856
C
PHE
A
114
−39.067
2.213
48.208
1.00
89.19
C

ATOM
857
O
PHE
A
114
−38.158
1.411
48.438
1.00
89.75
O

ATOM
858
N
LYS
A
115
−39.839
2.749
49.145
1.00
88.65
N

ATOM
859
CA
LYS
A
115
−39.657
2.503
50.564
1.00
87.10
C

ATOM
860
CB
LYS
A
115
−38.869
3.656
51.216
1.00
87.74
C

ATOM
861
CG
LYS
A
115
−39.597
5.015
51.263
1.00
90.46
C

ATOM
862
CD
LYS
A
115
−39.462
5.813
49.959
1.00
91.70
C

ATOM
863
CC
LYS
A
115
−40.120
7.184
50.066
1.00
94.09
O

ATOM
864
NZ
LYS
A
115
−39.616
8.119
49.021
1.00
94.84
N

ATOM
865
C
LYS
A
115
−41.011
2.298
51.248
1.00
84.59
C

ATOM
866
O
LYS
A
115
−42.070
2.589
50.680
1.00
85.36
O

ATOM
867
N
GLY
A
116
−40.960
1.780
52.468
1.00
82.60
N

ATOM
868
CA
GLY
A
116
−42.141
1.597
53.290
1.00
79.47
C

ATOM
869
C
GLY
A
116
−42.967
0.417
52.837
1.00
76.29
C

ATOM
870
O
GLY
A
116
−42.626
−0.733
53.120
1.00
76.28
O

ATOM
871
N
LYS
A
117
−44.053
0.714
52.127
1.00
73.18
N

ATOM
872
CA
LYS
A
117
−45.019
−0.290
51.704
1.00
70.39
C

ATOM
873
CB
LYS
A
117
−46.009
0.328
50.701
1.00
69.60
C

ATOM
874
CG
LYS
A
117
−47.481
−0.018
50.916
1.00
71.45
C

ATOM
875
CD
LYS
A
117
−47.816
−1.480
50.620
1.00
72.53
C

ATOM
876
CE
LYS
A
117
−49.325
−1.714
50.689
1.00
73.52
C

ATOM
877
NZ
LYS
A
117
−49.649
−3.160
50.821
1.00
72.76
N

ATOM
878
C
LYS
A
117
−44.302
−1.488
51.075
1.00
68.43
C

ATOM
879
O
LYS
A
117
−44.440
−2.624
51.539
1.00
66.06
O

ATOM
880
N
TYR
A
118
−43.515
−1.214
50.035
1.00
66.25
N

ATOM
881
CA
TYR
A
118
−42.945
−2.271
49.213
1.00
65.84
C

ATOM
882
CB
TYR
A
118
−43.337
−2.075
47.748
1.00
64.20
C

ATOM
883
CG
TYR
A
118
−44.828
−2.015
47.502
1.00
62.07
C

ATOM
884
CD1
TYR
A
118
−45.623
−3.163
47.565
1.00
62.51
C

ATOM
885
CE1
TYR
A
118
−47.012
−3.097
47.320
1.00
62.85
C

ATOM
886
CZ
TYR
A
118
−47.589
−1.874
47.011
1.00
60.79
C

ATOM
887
OH
TYR
A
118
−48.942
−1.768
46.771
1.00
67.58
O

ATOM
888
CE2
TYR
A
118
−46.813
−0.766
46.941
1.00
60.89
C

ATOM
889
CD2
TYR
A
118
−45.443
−0.808
47.183
1.00
59.80
C

ATOM
890
C
TYR
A
118
−41.434
−2.343
49.336
1.00
66.42
C

ATOM
891
O
TYR
A
118
−40.849
−3.419
49.197
1.00
67.00
O

ATOM
892
N
GLY
A
119
−40.816
−1.195
49.604
1.00
66.77
N

ATOM
893
CA
GLY
A
119
−39.365
−1.099
49.664
1.00
68.12
C

ATOM
894
C
GLY
A
119
−38.706
−0.940
51.029
1.00
67.38
C

ATOM
895
O
GLY
A
119
−39.315
−0.467
51.994
1.00
66.48
O

ATOM
896
N
SER
A
120
−37.440
−1.351
51.081
1.00
66.86
N

ATOM
897
CA
SER
A
120
−36.532
−1.046
52.179
1.00
67.25
C

ATOM
898
CB
SER
A
120
−36.513
−2.189
53.200
1.00
68.19
C

ATOM
899
OG
SER
A
120
−36.959
−3.398
52.616
1.00
69.17
O

ATOM
900
C
SER
A
120
−35.114
−0.739
51.645
1.00
66.65
C

ATOM
901
O
SER
A
120
−34.714
−1.255
50.599
1.00
66.84
O

ATOM
902
N
VAL
A
121
−34.394
0.138
52.343
1.00
64.79
N

ATOM
903
CA
VAL
A
121
−33.029
0.531
51.983
1.00
64.40
C

ATOM
904
CB
VAL
A
121
−32.967
1.993
51.407
1.00
63.41
C

ATOM
905
CG1
VAL
A
121
−33.077
3.046
52.515
1.00
68.20
C

ATOM
906
CG2
VAL
A
121
−31.707
2.216
50.594
1.00
61.86
C

ATOM
907
C
VAL
A
121
−32.090
0.296
53.197
1.00
65.82
C

ATOM
908
O
VAL
A
121
−32.525
0.323
54.362
1.00
65.00
O

ATOM
909
N
ASP
A
122
−30.811
0.056
52.921
1.00
63.29
N

ATOM
910
CA
ASP
A
122
−29.888
−0.415
53.045
1.00
62.93
C

ATOM
911
CB
ASP
A
122
−29.837
−1.947
53.877
1.00
65.88
C

ATOM
912
CG
ASP
A
122
−30.083
−2.617
55.208
1.00
69.29
C

ATOM
913
OD1
ASP
A
122
−30.740
−3.678
55.183
1.00
72.24
O

ATOM
914
OD2
ASP
A
122
−29.622
−2.112
56.258
1.00
78.15
O

ATOM
915
C
ASP
A
122
−28.509
0.114
53.591
1.00
59.30
C

ATOM
916
O
ASP
A
122
−27.969
−0.254
52.557
1.00
61.08
O

ATOM
917
N
TYR
A
123
−27.946
0.986
54.411
1.00
54.43
N

ATOM
918
CA
TYR
A
123
−26.569
1.431
54.193
1.00
52.16
C

ATOM
919
CB
TYR
A
123
−26.511
2.888
53.714
1.00
50.69
C

ATOM
920
CG
TYR
A
123
−26.692
3.018
52.222
1.00
54.39
C

ATOM
921
CD1
TYR
A
123
−25.637
3.412
51.404
1.00
51.51
C

ATOM
922
CE1
TYR
A
123
−25.793
3.515
50.041
1.00
53.14
C

ATOM
923
CZ
TYR
A
123
−27.035
3.239
49.479
1.00
57.49
C

ATOM
924
OH
TYR
A
123
−27.222
3.348
48.128
1.00
54.97
O

ATOM
925
CE2
TYR
A
123
−28.103
2.856
50.272
1.00
58.01
C

ATOM
926
CD2
TYR
A
123
−27.925
2.745
51.629
1.00
55.57
C

ATOM
927
C
TYR
A
123
−25.709
1.230
55.431
1.00
50.15
C

ATOM
928
O
TYR
A
123
−26.008
1.770
56.482
1.00
50.81
O

ATOM
929
N
TRP
A
124
−24.651
0.435
55.316
1.00
45.83
N

ATOM
930
CA
TRP
A
124
−23.796
0.235
56.459
1.00
42.79
C

ATOM
931
CB
TRP
A
124
−24.267
−0.938
57.312
1.00
43.66
C

ATOM
932
CG
TRP
A
124
−24.079
−2.154
50.501
1.00
55.20
C

ATOM
933
CD1
TRP
A
124
−25.957
−2.559
56.316
1.00
57.11
C

ATOM
934
NE1
TRP
A
124
−25.949
−3.744
55.614
1.00
61.06
N

ATOM
935
CE1
TRP
A
124
−24.651
−4.135
55.394
1.00
56.97
C

ATOM
936
CD2
TRP
A
124
−23.815
−3.160
55.982
1.00
53.47
C

ATOM
937
CE3
TRP
A
124
−22.424
−3.320
55.898
1.00
58.79
C

ATOM
938
CZ3
TRP
A
124
−21.913
−4.449
55.226
1.00
55.58
C

ATOM
939
CH2
TRP
A
124
−22.778
−5.400
54.648
1.00
60.46
C

ATOM
940
CZ2
TRP
A
124
−24.148
−5.257
54.720
1.00
56.58
C

ATOM
941
C
TRP
A
124
−22.349
0.032
56.112
1.00
43.48
C

ATOM
942
O
TRP
A
124
−21.999
−0.236
54.948
1.00
40.97
O

ATOM
943
N
VAL
A
125
−21.532
0.130
57.160
1.00
43.05
N

ATOM
944
CA
VAL
A
125
−20.106
−0.267
57.163
1.00
41.04
C

ATOM
945
CB
VAL
A
125
−19.199
0.891
57.636
1.00
40.47
C

ATOM
946
CG1
VAL
A
125
−17.767
0.462
57.613
1.00
35.29
C

ATOM
947
CG2
VAL
A
125
−19.403
2.141
56.787
1.00
35.68
C

ATOM
948
C
VAL
A
125
−19.907
−1.357
58.204
1.00
42.26
C

ATOM
949
O
VAL
A
125
−20.310
−1.161
59.364
1.00
41.97
O

ATOM
950
N
LYS
A
126
−19.329
−2.496
57.796
1.00
41.47
N

ATOM
951
CA
LYS
A
126
−18.754
−3.457
58.739
1.00
41.75
C

ATOM
952
CB
LYS
A
126
−19.083
−4.905
58.397
1.00
42.33
C

ATOM
953
CG
LYS
A
126
−20.536
−5.263
58.348
1.00
51.05
C

ATOM
954
CD
LYS
A
126
−20.662
−6.760
58.515
1.00
60.53
C

ATOM
955
CE
LYS
A
126
−22.095
−7.245
58.354
1.00
71.62
C

ATOM
956
NZ
LYS
A
126
−22.416
−7.492
56.922
1.00
70.53
N

ATOM
957
C
LYS
A
126
−17.247
−3.311
58.671
1.00
36.91
C

ATOM
958
O
LYS
A
126
−16.677
−3.163
57.573
1.00
33.74
O

ATOM
959
N
ALA
A
127
−16.640
−3.312
59.849
1.00
34.82
N

ATOM
960
CA
ALA
A
127
−15.203
−3.412
60.069
1.00
35.81
C

ATOM
961
CB
ALA
A
127
−14.750
−2.473
61.144
1.00
32.00
C

ATOM
962
C
ALA
A
127
−14.981
−4.815
60.555
1.00
38.14
C

ATOM
963
O
ALA
A
127
−15.708
−5.373
61.312
1.00
39.96
O

ATOM
964
N
PHE
A
128
−13.867
−5.381
60.140
1.00
39.59
N

ATOM
965
CA
PHE
A
128
−13.479
−6.707
60.589
1.00
39.10
C

ATOM
966
CB
PHE
A
128
−13.430
−7.651
59.392
1.00
40.84
C

ATOM
967
CG
PHE
A
128
−14.669
−7.595
58.516
1.00
38.61
C

ATOM
968
CD1
PHE
A
128
−15.741
−8.440
58.760
1.00
47.46
C

ATOM
969
CE1
PHE
A
128
−16.876
−8.409
57.951
1.00
53.91
C

ATOM
970
CZ
PHE
A
128
−16.949
−7.519
56.860
1.00
51.80
C

ATOM
971
CC2
PHE
A
128
−15.890
−6.673
56.601
1.00
47.84
C

ATOM
972
CD2
PHE
A
128
−14.747
−6.715
57.418
1.00
33.57
C

ATOM
973
C
PHE
A
128
−12.121
−6.592
61.216
1.00
39.50
C

ATOM
974
O
PHE
A
128
−11.239
−5.937
60.640
1.00
36.00
O

ATOM
975
N
LEU
A
129
−11.954
−7.209
62.397
1.00
38.52
N

ATOM
976
CA
LEU
A
129
−10.644
−7.380
63.017
1.00
40.53
C

ATOM
977
CB
LEU
A
129
−10.761
−7.094
64.514
1.00
38.33
C

ATOM
978
CG
LEU
A
129
−9.549
−7.095
65.434
1.00
40.74
C

ATOM
979
CD1
LEU
A
129
−8.514
−6.087
64.985
1.00
38.85
C

ATOM
980
CD2
LEU
A
129
−10.019
−6.802
66.885
1.00
39.81
C

ATOM
981
C
LEU
A
129
−10.116
−8.798
62.850
1.00
40.43
C

ATOM
982
O
LEU
A
129
−10.724
−9.740
63.359
1.00
39.86
O

ATOM
983
N
ASP
A
130
−8.975
−8.960
62.179
1.00
38.61
N

ATOM
984
CA
ASP
A
130
−8.416
−10.271
61.983
1.00
37.75
C

ATOM
985
CB
ASP
A
130
−7.945
−10.472
60.547
1.00
39.82
C

ATOM
986
CG
ASP
A
130
−9.065
−10.318
59.525
1.00
47.12
C

ATOM
987
OD1
ASP
A
130
−10.227
−10.575
59.859
1.00
46.32
O

ATOM
988
OD2
ASP
A
130
−8.784
−9.939
58.369
1.00
47.89
O

ATOM
989
C
ASP
A
130
−7.246
−10.421
62.930
1.00
37.56
C

ATOM
990
O
ASP
A
130
−6.435
−9.516
63.075
1.00
38.05
O

ATOM
991
N
ARG
A
131
−7.154
−11.579
63.565
1.00
36.39
N

ATOM
992
CA
ARG
A
131
−6.098
−11.852
64.534
1.00
37.40
C

ATOM
993
CB
ARG
A
131
−6.642
−11.739
65.945
1.00
37.07
C

ATOM
994
CG
ARG
A
131
−6.943
−10.303
66.410
1.00
37.63
C

ATOM
995
CD
ARG
A
131
−7.788
−10.277
67.689
1.00
85.47
C

ATOM
996
NE
ARG
A
131
−7.067
−10.775
68.841
1.00
48.48
N

ATOM
997
CZ
ARG
A
131
−7.636
−11.283
69.935
1.00
54.97
C

ATOM
998
NH1
ARG
A
131
−8.955
−11.401
70.022
1.00
43.84
N

ATOM
999
NH2
ARG
A
131
−6.873
−11.687
70.945
1.00
53.63
N

ATOM
1000
C
ARG
A
131
−5.613
−13.270
64.282
1.00
41.85
C

ATOM
1001
O
ARG
A
131
−6.391
−14.089
63.795
1.00
40.64
O

ATOM
1002
N
PRO
A
132
−4.326
−13.556
64.592
1.00
43.97
N

ATOM
1003
CA
PRO
A
132
−3.758
−14.899
64.497
1.00
46.47
C

ATOM
1004
CB
PRO
A
132
−2.353
−14.722
65.062
1.00
47.87
C

ATOM
1005
CG
PRO
A
132
−2.072
−13.258
64.974
1.00
47.28
C

ATOM
1006
CD
PRO
A
132
−3.367
−12.582
65.133
1.00
42.02
C

ATOM
1007
C
PRO
A
132
−4.533
−15.870
65.404
1.00
49.16
C

ATOM
1008
O
PRO
A
132
−4.762
−15.550
66.566
1.00
49.59
O

ATOM
1009
N
SER
A
133
−4.944
−17.021
64.870
1.00
51.11
N

ATOM
1010
CA
SER
A
133
−5.562
−18.093
65.659
1.00
52.93
C

ATOM
1011
CB
SER
A
133
−4.612
−18.615
66.754
1.00
54.41
C

ATOM
1012
OG
SER
A
133
−3.339
−19.016
66.230
1.00
61.05
O

ATOM
1013
C
SER
A
133
−6.914
−17.722
66.259
1.00
55.73
C

ATOM
1014
O
SER
A
133
−7.491
−18.499
67.030
1.00
59.49
O

ATOM
1015
N
GLN
A
134
−7.446
−16.556
65.889
1.00
54.57
N

ATOM
1016
CA
GLN
A
134
−8.779
−16.161
66.318
1.00
54.27
C

ATOM
1017
CB
GLN
A
134
−8.745
−14.826
67.068
1.00
51.77
C

ATOM
1018
CG
GLN
A
134
−7.805
−14.804
68.261
1.00
53.74
C

ATOM
1019
CD
GLN
A
134
−8.112
−15.897
69.280
1.00
62.65
C

ATOM
1020
OE1
GLN
A
134
−9.250
−16.383
59.380
1.00
62.66
O

ATOM
1021
NE2
GLN
A
134
−7.087
−16.294
70.043
1.00
55.21
N

ATOM
1022
C
GLN
A
134
−9.755
−16.100
65.155
1.00
55.07
C

ATOM
1023
O
GLN
A
134
−9.340
−15.883
64.013
1.00
57.20
O

ATOM
1024
N
PRO
A
135
−11.055
−16.348
65.430
1.00
56.03
N

ATOM
1025
CA
PRO
A
135
−12.080
−16.004
64.466
1.00
53.75
C

ATOM
1026
CB
PRO
A
135
−13.377
−16.518
65.119
1.00
53.57
C

ATOM
1027
CG
PRO
A
135
−12.942
−17.498
66.113
1.00
59.20
C

ATOM
1028
CD
PRO
A
135
−11.642
−16.979
66.629
1.00
58.17
C

ATOM
1029
C
PRO
A
135
−12.120
−14.492
64.317
1.00
52.18
C

ATOM
1030
O
PRO
A
135
−11.809
−13.752
65.255
1.00
51.75
O

ATOM
1031
N
THR
A
136
−12.468
−14.029
63.136
1.00
52.15
N

ATOM
1032
CA
THR
A
136
−12.447
−12.607
62.917
1.00
53.80
C

ATOM
1033
CB
THR
A
136
−12.453
−12.245
61.418
1.00
53.97
C

ATOM
1034
OG1
THR
A
136
−13.778
−12.285
60.898
1.00
56.43
O

ATOM
1035
CG2
THR
A
136
−11.548
−13.210
60.595
1.00
59.83
C

ATOM
1036
C
THR
A
136
−13.620
−12.001
63.708
1.00
52.34
C

ATOM
1037
O
THR
A
136
−14.672
−12.613
63.825
1.00
51.77
O

ATOM
1038
N
GLN
A
137
−13.395
−10.841
64.309
1.00
50.62
N

ATOM
1039
CA
GLN
A
137
−14.435
−10.140
65.036
1.00
48.70
C

ATOM
1040
CB
GLN
A
137
−13.845
−9.518
66.280
1.00
45.74
C

ATOM
1041
CG
GLN
A
137
−14.719
−8.501
66.967
1.00
52.84
C

ATOM
1042
CD
GLN
A
137
−14.198
−8.142
68.340
1.00
46.47
C

ATOM
1043
OE1
GLN
A
137
−13.259
−8.753
68.825
1.00
51.26
O

ATOM
1044
NE2
GLN
A
137
−14.809
−7.155
68.973
1.00
45.98
N

ATOM
1045
C
GLN
A
137
−14.967
−9.064
64.122
1.00
49.45
C

ATOM
1046
O
GLN
A
137
−14.192
−8.442
63.383
1.00
47.77
O

ATOM
1047
N
GLU
A
138
−16.280
−8.830
64.171
1.00
50.34
N

ATOM
1048
CA
GLU
A
138
−16.866
−7.754
63.387
1.00
51.36
C

ATOM
1049
CB
GLU
A
138
−17.607
−8.302
62.163
1.00
55.31
C

ATOM
1050
CG
GLU
A
138
−19.018
−8.831
62.388
1.00
60.28
C

ATOM
1051
CD
GLU
A
138
−19.550
−9.555
61.158
1.00
60.92
C

ATOM
1052
OE1
GLU
A
138
−19.714
−10.791
61.207
1.00
65.95
O

ATOM
1053
OE2
GLU
A
138
−19.775
−8.894
60.128
1.00
67.16
O

ATOM
1054
C
GLU
A
138
−17.724
−6.759
64.163
1.00
50.39
C

ATOM
1055
O
GLU
A
138
−18.344
−7.096
65.173
1.00
47.67
O

ATOM
1056
N
THR
A
139
−17.727
−5.520
63.675
1.00
49.58
N

ATOM
1057
CA
THR
A
139
−18.673
−4.494
64.114
1.00
46.88
C

ATOM
1058
CB
THR
A
139
−17.980
−3.422
64.941
1.00
46.50
C

ATOM
1059
OG1
THR
A
139
−18.971
−2.543
65.480
1.00
44.51
O

ATOM
1060
CG2
THR
A
139
−17.012
−2.617
64.067
1.00
42.13
C

ATOM
1061
C
THR
A
139
−19.360
−3.843
62.905
1.00
46.28
C

ATOM
1062
O
THR
A
139
−18.730
3.686
61.858
1.00
43.02
O

ATOM
1063
N
LYS
A
140
−20.626
−3.433
63.067
1.00
45.35
N

ATOM
1064
CA
LYS
A
140
−21.456
−2.889
61.986
1.00
48.02
C

ATOM
1065
CB
LYS
A
140
−22.521
−3.930
61.619
1.00
49.53
C

ATOM
1066
CG
LYS
A
140
−23.586
−3.482
60.605
1.00
54.13
C

ATOM
1067
CD
LYS
A
140
−24.434
−4.679
60.223
1.00
60.07
C

ATOM
1068
CE
LYS
A
140
−25.562
−4.316
59.283
1.00
66.14
C

ATOM
1069
NZ
LYS
A
140
−26.682
−5.297
59.401
1.00
66.25
N

ATOM
1070
C
LYS
A
140
−22.132
−1.569
62.393
1.00
46.56
C

ATOM
1071
O
LYS
A
140
−22.785
−1.529
63.415
1.00
48.52
O

ATOM
1072
N
LYS
A
140
−21.948
−0.506
61.609
1.00
46.60
N

ATOM
1073
CA
LYS
A
141
−22.659
0.779
61.810
1.00
47.55
C

ATOM
1074
CB
LYS
A
141
−21.715
1.889
62.267
1.00
48.50
C

ATOM
1075
CG
LYS
A
141
−21.759
2.169
63.754
1.00
49.77
C

ATOM
1076
CD
LYS
A
141
−22.685
3.340
64.083
1.00
50.21
C

ATOM
1077
CE
LYS
A
141
−22.613
3.643
65.571
1.00
58.70
C

ATOM
1078
NZ
LYS
A
141
−21.226
3.922
66.075
1.00
51.89
N

ATOM
1079
C
LYS
A
141
−23.425
1.275
60.582
1.00
48.14
C

ATOM
1080
O
LYS
A
141
−22.814
1.597
59.535
1.00
43.25
O

ATOM
1081
N
ASN
A
142
−24.751
1.378
60.729
1.00
46.45
N

ATOM
1082
CA
ASN
A
142
−25.594
1.901
59.659
1.00
48.93
C

ATOM
1083
CB
ASN
A
142
−27.074
1.604
59.920
1.00
51.70
C

ATOM
1084
CG
ASN
A
142
−27.410
0.138
59.767
1.00
56.34
C

ATOM
1085
OD1
ASN
A
142
−27.254
−0.643
60.703
1.00
62.81
O

ATOM
1086
ND2
ASN
A
142
−27.898
−0.243
58.583
1.00
67.81
N

ATOM
1087
C
ASN
A
142
−25.380
3.399
59.463
1.00
50.51
C

ATOM
1088
O
ASN
A
142
−25.023
4.100
60.411
1.00
52.26
O

ATOM
1089
N
PHE
A
143
−25.570
3.883
58.234
1.00
47.97
N

ATOM
1090
CA
PHE
A
143
−25.611
5.323
57.978
1.00
50.89
C

ATOM
1091
CB
PHE
A
143
−24.291
5.909
57.416
1.00
49.41
C

ATOM
1092
CG
PHE
A
143
−23.881
5.341
56.080
1.00
49.21
C

ATOM
1093
CD1
PHE
A
143
−24.309
5.932
54.894
1.00
47.65
C

ATOM
1094
CE1
PHE
A
143
−23.947
5.392
53.645
1.00
36.53
C

ATOM
1095
CZ
PHE
A
143
−23.118
4.258
53.594
1.00
45.83
C

ATOM
1096
CE2
PHE
A
143
−22.679
3.674
54.781
1.00
47.00
C

ATOM
1097
CD2
PHE
A
143
−23.046
4.215
56.007
1.00
47.24
C

ATOM
1098
C
PHE
A
143
−26.811
5.684
57.101
1.00
54.82
C

ATOM
1099
O
PHE
A
143
−27.484
4.803
56.494
1.00
53.86
O

ATOM
1100
N
GLU
A
144
−27.067
6.987
57.037
1.00
58.48
N

ATOM
1101
CA
GLU
A
144
−28.277
7.498
56.409
1.00
60.86
C

ATOM
1102
CB
GLU
A
144
−28.938
8.574
57.281
1.00
59.77
C

ATOM
1103
CG
GLU
A
144
−30.390
8.839
56.908
1.00
65.80
C

ATOM
1104
CD
GLU
A
144
−31.376
7.812
57.480
1.00
73.18
C

ATOM
1105
CE1
GLU
A
144
−30.936
6.826
58.137
1.00
61.74
O

ATOM
1106
OE2
GLU
A
144
−32.803
8.010
57.270
1.00
70.20
O

ATOM
1107
C
GLU
A
144
−27.996
8.053
55.042
1.00
62.05
C

ATOM
1108
O
GLU
A
144
−27.111
8.899
54.861
1.00
61.53
O

ATOM
1109
N
VAL
A
145
−28.778
7.577
54.084
1.00
65.73
N

ATOM
1110
CA
VAL
A
145
−28.732
8.100
52.742
1.00
69.13
C

ATOM
1111
CB
VAL
A
145
−28.390
7.000
51.726
1.00
68.27
C

ATOM
1112
CG1
VAL
A
145
−29.650
6.326
51.179
1.00
69.10
C

ATOM
1113
CG2
VAL
A
145
−27.536
7.575
50.620
1.00
72.08
C

ATOM
1114
C
VAL
A
145
−30.047
8.836
52.447
1.00
71.28
C

ATOM
1115
O
VAL
A
145
−31.051
8.643
53.153
1.00
70.40
O

ATOM
1116
N
VAL
A
146
−30.018
9.675
51.412
1.00
73.07
N

ATOM
1117
CA
VAL
A
146
−31.051
10.674
51.162
1.00
75.08
C

ATOM
1118
CB
VAL
A
146
−30.464
11.853
50.358
1.00
75.37
C

ATOM
1119
CG1
VAL
A
146
−30.563
11.600
48.834
1.00
76.53
C

ATOM
1120
CG2
VAL
A
146
−31.124
13.157
50.761
1.00
78.50
C

ATOM
1121
C
VAL
A
146
−32.281
10.096
50.457
1.00
76.35
C

ATOM
1122
O
VAL
A
146
−33.385
10.646
50.561
1.00
77.77
O

ATOM
1123
N
PRO
A
154
−43.962
7.099
43.320
1.00
76.71
N

ATOM
1124
CA
PRO
A
154
−45.231
6.623
42.748
1.00
76.56
C

ATOM
1125
CB
PRO
A
154
−44.998
6.751
41.239
1.00
76.85
C

ATOM
1126
CG
PRO
A
154
−43.504
6.547
41.075
1.00
76.49
C

ATOM
1127
CD
PRO
A
154
−42.858
7.087
42.337
1.00
76.20
C

ATOM
1128
C
PRO
A
154
−45.514
5.162
43.137
1.00
74.29
C

ATOM
1129
O
PRO
A
154
−44.560
4.388
43.330
1.00
74.99
O

ATOM
1130
N
ASP
A
155
−46.794
4.783
43.244
1.00
69.42
N

ATOM
1131
CA
ASP
A
155
−47.117
3.442
43.741
1.00
64.24
C

ATOM
1132
CB
ASP
A
155
−48.577
3.291
44.153
1.00
65.85
C

ATOM
1133
CG
ASP
A
155
−48.801
2.060
45.030
1.00
67.37
C

ATOM
1134
CD1
ASP
A
155
−49.339
1.052
44.529
1.00
69.06
O

ATOM
1135
CD2
ASP
A
155
−48.421
2.088
46.222
1.00
73.69
O

ATOM
1136
C
ASP
A
155
−46.714
2.313
42.798
1.00
59.56
C

ATOM
1137
O
ASP
A
155
−47.016
2.327
41.610
1.00
59.13
O

ATOM
1138
N
LEU
A
156
−46.031
1.332
43.366
1.00
53.24
N

ATOM
1139
CA
LEU
A
156
−45.515
0.189
42.630
1.00
51.27
C

ATOM
1140
CB
LEU
A
156
−44.767
−0.719
43.610
1.00
50.25
C

ATOM
1141
CG
LEU
A
156
−44.051
−1.917
43.009
1.00
54.72
C

ATOM
1142
CD1
LEU
A
156
−42.802
−1.444
42.271
1.00
52.41
C

ATOM
1143
CD2
LEU
A
156
−43.721
−2.920
44.097
1.00
56.24
O

ATOM
1144
C
LEU
A
156
−46.608
−0.604
41.911
1.00
46.19
C

ATOM
1145
O
LEU
A
156
−46.392
−1.155
40.834
1.00
45.76
O

ATOM
1146
N
MET
A
157
−47.784
−0.659
42.514
1.00
42.93
N

ATOM
1147
CA
MET
A
157
−48.853
−1.480
41.985
1.00
42.56
C

ATOM
1148
CB
MET
A
157
−49.503
−2.237
43.136
1.00
43.19
C

ATOM
1149
CG
MET
A
157
−48.601
−3.252
43.772
1.00
43.90
C

ATOM
1150
SD
MET
A
157
−48.344
−4.638
42.657
1.00
55.30
S

ATOM
1151
CE
MET
A
157
−46.606
−4.552
42.235
1.00
47.84
O

ATOM
1152
C
MET
A
157
−49.888
−0.710
41.131
1.00
39.35
C

ATOM
1153
O
MET
A
157
−50.874
−1.292
40.655
1.00
41.04
O

ATOM
1154
N
ALA
A
158
−49.667
0.597
40.963
1.00
36.27
N

ATOM
1155
CA
ALA
A
158
−50.575
1.459
40.236
1.00
37.74
C

ATOM
1156
CB
ALA
A
158
−50.389
2.915
40.619
1.00
38.85
C

ATOM
1157
C
ALA
A
158
−50.254
1.301
38.774
1.00
39.37
C

ATOM
1158
O
ALA
A
158
−49.072
1.150
38.432
1.00
40.53
O

ATOM
1159
N
PRO
A
159
−51.299
1.341
37.917
1.00
39.57
N

ATOM
1160
CA
PRO
A
159
−51.126
1.361
35.471
1.00
40.81
C

ATOM
1161
CB
PRO
A
159
−52.532
1.649
35.955
1.00
39.57
C

ATOM
1162
CG
PRO
A
159
−53.419
1.052
38.986
1.00
33.96
C

ATOM
1163
CD
PRO
A
159
−52.728
1.385
38.281
1.00
35.90
C

ATOM
1164
C
PRO
A
159
−50.178
2.454
36.013
1.00
44.82
C

ATOM
1165
O
PRO
A
159
−50.012
3.468
36.692
1.00
42.89
O

ATOM
1166
N
VAL
A
160
−49.562
2.227
34.854
1.00
45.39
N

ATOM
1167
CA
VAL
A
160
−48.654
3.182
34.253
1.00
47.51
C

ATOM
1168
CB
VAL
A
160
−47.232
2.628
34.120
1.00
46.21
C

ATOM
1169
CG1
VAL
A
160
−46.282
3.724
33.612
1.00
49.09
C

ATOM
1170
CG2
VAL
A
160
−46.733
2.039
35.425
1.00
49.97
C

ATOM
1171
C
VAL
A
160
−49.182
3.438
32.846
1.00
45.24
C

ATOM
1172
O
VAL
A
160
−49.551
2.502
32.154
1.00
45.04
O

ATOM
1173
N
SER
A
161
−49.282
4.710
32.474
1.00
46.73
N

ATOM
1174
CA
SER
A
161
−49.624
5.107
31.118
1.00
46.18
C

ATOM
1175
CB
SER
A
161
−51.051
5.605
31.045
1.00
47.99
C

ATOM
1176
CG
SER
A
161
−51.152
6.976
31.365
1.00
56.18
O

ATOM
1177
C
SER
A
161
−48.598
6.154
30.657
1.00
48.91
C

ATOM
1178
O
SER
A
161
−48.133
6.967
31.483
1.00
49.24
O

ATOM
1179
N
ALA
A
162
−48.190
6.060
29.375
1.00
43.77
N

ATOM
1180
CA
ALA
A
162
−47.232
6.972
28.721
1.00
37.78
C

ATOM
1181
CB
ALA
A
162
−45.805
6.460
28.806
1.00
34.57
C

ATOM
1182
C
ALA
A
162
−47.636
7.141
27.242
1.00
36.65
O

ATOM
1183
O
ALA
A
162
−48.271
6.245
26.678
1.00
32.92
O

ATOM
1184
N
LYS
A
163
−47.278
8.302
26.674
1.00
32.66
N

ATOM
1185
CA
LYS
A
163
−47.545
8.663
25.286
1.00
36.13
C

ATOM
1186
CB
LYS
A
163
−48.815
9.510
25.191
1.00
36.70
C

ATOM
1187
CG
LYS
A
163
−48.657
10.965
25.634
1.00
51.47
C

ATOM
1188
CD
LYS
A
163
−49.467
11.935
24.758
1.00
60.24
C

ATOM
1189
CE
LYS
A
163
−48.641
12.404
23.525
1.00
70.84
C

ATOM
1190
NZ
LYS
A
163
−49.478
12.848
22.850
1.00
69.38
N

ATOM
1191
C
LYS
A
163
−46.348
9.434
24.744
1.00
37.51
C

ATOM
1192
O
LYS
A
163
−45.642
10.106
25.513
1.00
37.21
O

ATOM
1193
N
LYS
A
164
−46.104
9.312
23.435
1.00
35.50
N

ATOM
1194
CA
LYS
A
164
−45.040
10.079
22.726
1.00
36.08
C

ATOM
1195
CB
LYS
A
164
−43.710
9.336
22.710
1.00
31.83
C

ATOM
1196
CG
LYS
A
164
−42.497
10.131
22.218
1.00
41.74
C

ATOM
1197
CD
LYS
A
164
−41.570
10.442
23.363
1.00
53.88
C

ATOM
1198
CE
LYS
A
164
−40.116
10.426
22.921
1.00
62.09
C

ATOM
1199
NZ
LYS
A
164
−39.297
9.588
23.853
1.00
43.94
N

ATOM
1200
C
LYS
A
164
−45.478
0.216
21.283
1.00
37.34
C

ATOM
1201
O
LYS
A
164
−45.924
9.242
20.680
1.00
37.06
O

ATOM
1202
N
GLU
A
165
−45.332
11.423
20.753
1.00
38.13
N

ATOM
1203
CA
GLU
A
165
−45.603
11.744
19.351
1.00
39.64
C

ATOM
1204
CB
GLU
A
165
−46.716
12.770
19.308
1.00
39.43
C

ATOM
1205
CG
GLU
A
165
−47.235
13.075
17.946
1.00
53.37
C

ATOM
1206
CD
GLU
A
165
−47.916
14.410
17.931
1.00
68.12
C

ATOM
1207
OE1
GLU
A
165
−47.252
15.402
18.330
1.00
71.57
O

ATOM
1208
OE2
GLU
A
165
−49.102
14.462
17.530
1.00
72.76
O

ATOM
1209
C
GLU
A
165
−44.356
12.381
18.757
1.00
39.97
C

ATOM
1210
O
GLU
A
165
−43.610
13.102
19.451
1.00
38.36
O

ATOM
1211
N
LYS
A
166
−44.102
12.107
17.480
1.00
38.95
N

ATOM
1212
CA
LYS
A
166
−42.939
12.628
16.762
1.00
35.86
C

ATOM
1213
CB
LYS
A
166
−41.904
11.526
16.560
1.00
38.04
O

ATOM
1214
CG
LYS
A
166
−40.470
12.050
16.459
1.00
48.89
O

ATOM
1215
CD
LYS
A
166
−39.449
10.929
16.398
1.00
60.15
C

ATOM
1216
CE
LYS
A
166
−39.434
10.281
15.016
1.00
57.97
O

ATOM
1217
NZ
LYS
A
166
−38.060
10.062
14.513
1.00
46.08
N

ATOM
1218
C
LYS
A
166
−43.385
13.063
15.393
1.00
35.83
C

ATOM
1219
O
LYS
A
166
−44.201
12.395
14.765
1.00
28.34
O

ATOM
1220
N
LYS
A
167
−42.840
14.196
14.952
1.00
35.22
N

ATOM
1221
CA
LYS
A
167
−43.004
14.751
13.645
1.00
36.49
C

ATOM
1222
CB
LYS
A
167
−42.721
16.248
13.641
1.00
38.04
O

ATOM
1223
CG
LYS
A
167
−43.069
16.956
12.343
1.00
49.97
O

ATOM
1224
CD
LYS
A
167
−42.480
18.367
12.288
1.00
57.31
O

ATOM
1225
CE
LYS
A
167
−43.002
19.170
11.098
1.00
61.20
C

ATOM
1226
NZ
LYS
A
167
−42.126
20.352
10.792
1.00
63.11
N

ATOM
1227
C
LYS
A
167
−42.232
13.964
12.659
1.00
35.68
C

ATOM
1228
O
LYS
A
167
−41.007
13.829
12.839
1.00
31.50
O

ATOM
1229
N
VAL
A
168
−42.885
13.431
11.617
1.00
33.61
N

ATOM
1230
CA
VAL
A
168
−42.195
12.752
10.544
1.00
30.12
C

ATOM
1231
CB
VAL
A
168
−42.448
11.206
10.574
1.00
28.95
C

ATOM
1232
CG1
VAL
A
168
−41.735
10.522
9.400
1.00
34.10
C

ATOM
1233
CG2
VAL
A
168
−42.008
10.576
11.888
1.00
31.88
C

ATOM
1234
C
VAL
A
168
−42.689
13.361
9.223
1.00
33.21
C

ATOM
1235
O
VAL
A
168
−43.664
12.855
8.632
1.00
31.25
O

ATOM
1236
N
SER
A
169
−42.046
14.442
8.754
1.00
34.18
N

ATOM
1237
CA
SER
A
169
−42.576
15.213
7.754
1.00
31.66
C

ATOM
1238
CB
SER
A
169
−42.092
16.664
7.605
1.00
33.84
C

ATOM
1239
CG
SER
A
169
−40.680
16.681
7.646
1.00
36.61
O

ATOM
1240
C
SER
A
169
−42.148
14.657
6.244
1.00
31.16
C

ATOM
1241
O
SER
A
169
−41.222
13.877
6.175
1.00
27.62
O

ATOM
1242
N
SER
A
170
−42.855
15.108
5.194
1.00
30.81
N

ATOM
1243
CA
SER
A
170
−42.672
14.762
3.797
1.00
32.96
C

ATOM
1244
CB
SER
A
170
−43.848
13.883
3.308
1.00
32.64
C

ATOM
1245
CG
SER
A
170
−43.705
12.586
3.804
1.00
47.94
O

ATOM
1246
C
SER
A
170
−42.885
16.075
3.102
1.00
32.54
C

ATOM
1247
O
SER
A
170
−43.454
16.987
3.690
1.00
32.32
O

ATOM
1248
N
MET
A
171
−42.521
16.167
1.826
1.00
34.70
N

ATOM
1249
CA
MET
A
171
−42.899
17.345
1.037
1.00
35.17
C

ATOM
1250
CB
MET
A
171
−42.346
17.224
−0.390
1.00
35.32
C

ATOM
1251
CG
MET
A
171
−41.820
18.523
−0.957
1.00
42.28
C

ATOM
1252
SD
MET
A
171
41.620
18.471
2.749
1.00
42.63
S

ATOM
1253
CE
MET
A
171
−43.236
19.076
−3.205
1.00
46.53
C

ATOM
1254
C
MET
A
171
−44.421
17.515
0.981
1.00
35.72
C

ATOM
1255
O
MET
A
171
−44.955
18.642
1.080
1.00
35.81
O

ATOM
1256
N
PHE
A
172
−45.119
16.390
0.827
1.00
36.93
N

ATOM
1257
CA
PHE
A
172
−46.580
16.389
0.573
1.00
38.17
C

ATOM
1258
CB
PHE
A
172
−46.951
15.384
−0.534
1.00
35.31
C

ATOM
1259
CG
PHE
A
172
−46.429
15.796
−1.890
1.00
48.02
C

ATOM
1260
CD1
PHE
A
172
−46.831
17.004
−2.462
1.00
46.86
C

ATOM
1261
CE1
PHE
A
172
−46.313
17.415
−3.693
1.00
47.10
C

ATOM
1262
CZ
PHE
A
172
−45.385
16.610
−4.367
1.00
44.37
C

ATOM
1263
CE2
PHE
A
172
−44.984
15.414
−3.817
1.00
45.58
C

ATOM
1264
CD2
PHE
A
172
−45.495
15.013
−2.573
1.00
50.25
C

ATOM
1265
C
PHE
A
172
−47.405
16.157
1.815
1.00
39.10
C

ATOM
1266
O
PHE
A
172
−48.618
16.343
1.810
1.00
37.25
O

ATOM
1267
N
ILE
A
173
−46.732
15.734
2.875
1.00
37.34
N

ATOM
1268
CA
ILE
A
173
−47.321
15.663
4.217
1.00
37.32
C

ATOM
1269
CB
ILE
A
173
−47.610
14.182
4.643
1.00
35.15
C

ATOM
1270
CG1
ILE
A
173
−48.164
13.366
3.460
1.00
39.43
C

ATOM
1271
CD1
ILE
A
173
−48.296
11.859
3.746
1.00
39.82
C

ATOM
1272
CG2
ILE
A
173
−48.534
14.125
5.880
1.00
38.05
C

ATOM
1273
C
ILE
A
173
−46.362
16.367
5.193
1.00
37.33
C

ATOM
1274
O
ILE
A
173
−45.690
15.715
5.992
1.00
38.89
O

ATOM
1275
N
PRO
A
174
−46.310
17.709
5.142
1.00
36.67
N

ATOM
1276
CA
PRO
A
174
−45.348
18.458
5.961
1.00
37.91
C

ATOM
1277
CB
PRO
A
174
−45.566
19.913
5.585
1.00
37.26
C

ATOM
1278
CG
PRO
A
174
−46.334
19.825
4.208
1.00
41.88
C

ATOM
1279
CD
PRO
A
174
−47.159
18.599
4.318
1.00
39.18
C

ATOM
1280
C
PRO
A
174
−45.580
18.286
7.477
1.00
39.15
C

ATOM
1281
O
PRO
A
174
−44.632
18.382
8.255
1.00
38.20
O

ATOM
1282
N
ASP
A
175
−46.822
18.028
7.885
1.00
42.28
N

ATOM
1283
CA
ASP
A
175
−47.128
17.838
8.310
1.00
43.92
C

ATOM
1284
CB
ASP
A
175
−48.283
18.750
9.774
1.00
48.31
C

ATOM
1285
CG
ASP
A
175
−48.335
18.886
11.301
1.00
58.14
C

ATOM
1286
OD1
ASP
A
175
−47.291
19.244
11.905
1.00
69.70
O

ATOM
1287
OD2
ASP
A
175
−49.404
18.610
11.899
1.00
71.32
O

ATOM
1288
C
ASP
A
175
−47.429
16.381
9.674
1.00
39.79
C

ATOM
1289
O
ASP
A
175
−48.240
16.121
10.558
1.00
38.90
O

ATOM
1290
N
GLY
A
176
−46.761
15.440
9.008
1.00
36.27
N

ATOM
1291
CA
GLY
A
176
−46.962
14.019
9.276
1.00
33.05
C

ATOM
1292
C
GLY
A
176
−46.466
13.736
10.681
1.00
31.38
C

ATOM
1293
O
GLY
A
176
−45.587
14.434
11.199
1.00
32.18
O

ATOM
1294
N
ARG
A
177
−47.040
12.720
11.316
1.00
32.42
N

ATOM
1295
CA
ARG
A
177
−46.729
12.403
12.681
1.00
31.96
C

ATOM
1296
CB
ARG
A
177
−47.678
13.124
13.628
1.00
39.35
C

ATOM
1297
CG
ARG
A
177
−47.207
14.522
13.911
1.00
49.57
C

ATOM
1298
CD
ARG
A
177
−48.325
15.533
14.149
1.00
65.20
C

ATOM
1299
NE
ARG
A
177
−47.805
16.904
14.060
1.00
68.37
N

ATOM
1300
CZ
ARG
A
177
−46.941
17.451
14.920
1.00
76.70
O

ATOM
1301
NH1
ARG
A
177
−46.478
16.754
15.958
1.00
71.28
N

ATOM
1302
NH2
ARG
A
177
−46.533
18.706
14.745
1.00
77.07
N

ATOM
1303
C
ARG
A
177
−46.836
10.933
12.947
1.00
31.25
C

ATOM
1304
O
ARG
A
177
−47.646
10.251
12.357
1.00
29.27
O

ATOM
1305
N
VAL
A
178
−46.010
10.448
13.863
1.00
30.94
N

ATOM
1306
CA
VAL
A
178
−46.166
9.091
14.349
1.00
25.98
C

ATOM
1307
CB
VAL
A
178
−44.929
8.254
14.006
1.00
24.25
C

ATOM
1308
CG1
VAL
A
178
−45.031
6.882
14.632
1.00
32.45
C

ATOM
1309
CG2
VAL
A
178
−44.771
8.107
12.474
1.00
23.95
C

ATOM
1310
C
VAL
A
178
−46.332
0.174
15.850
1.00
30.78
C

ATOM
1311
O
VAL
A
178
−45.543
9.888
16.524
1.00
27.05
O

ATOM
1312
N
SER
A
179
−47.336
8.485
16.421
1.00
27.53
N

ATOM
1313
CA
SER
A
179
−47.476
8.546
17.882
1.00
28.15
C

ATOM
1314
CB
SER
A
179
−48.637
9.462
18.270
1.00
33.64
C

ATOM
1315
OG
SER
A
179
−49.877
8.820
18.023
1.00
43.26
O

ATOM
1316
C
SER
A
179
−47.711
7.174
18.476
1.00
32.44
C

ATOM
1317
O
SER
A
179
−48.128
6.232
17.781
1.00
32.12
O

ATOM
1318
N
VAL
A
180
−47.398
7.053
19.773
1.00
33.91
N

ATOM
1319
CA
VAL
A
180
−47.675
5.834
20.520
1.00
32.79
C

ATOM
1320
CB
VAL
A
180
−46.478
4.831
20.590
1.00
37.23
C

ATOM
1321
CG1
VAL
A
180
−45.146
5.501
20.925
1.00
38.48
C

ATOM
1322
CG2
VAL
A
180
46.786
3.695
21.578
1.00
37.13
C

ATOM
1323
C
VAL
A
180
−48.097
6.273
21.872
1.00
32.87
C

ATOM
1324
O
VAL
A
180
−47.497
7.171
22.440
1.00
30.47
O

ATOM
1325
N
SER
A
181
−49.134
5.620
22.368
1.00
34.04
N

ATOM
1326
CA
SER
A
181
−49.660
5.818
23.688
1.00
33.68
O

ATOM
1327
CB
SER
A
181
−50.971
6.591
23.581
1.00
35.96
C

ATOM
1328
OG
SER
A
181
−51.482
5.832
24.865
1.00
50.10
O

ATOM
1329
C
SER
A
181
−49.872
4.402
24.232
1.00
35.39
C

ATOM
1330
O
SER
A
181
−50.473
3.565
23.557
1.00
38.37
O

ATOM
1331
N
ALA
A
182
−49.364
4.122
25.435
1.00
32.10
N

ATOM
1332
CA
ALA
A
182
−49.388
2.752
25.974
1.00
30.28
C

ATOM
1333
CB
ALA
A
182
−48.035
2.127
25.834
1.00
28.02
C

ATOM
1334
C
ALA
A
182
−49.810
2.759
27.430
1.00
33.17
C

ATOM
1335
O
ALA
A
182
−49.685
3.791
28.090
1.00
31.63
O

ATOM
1336
N
ARG
A
183
−50.343
1.618
27.907
1.00
30.05
N

ATOM
1337
CA
ARG
A
183
−50.776
1.463
29.273
1.00
30.01
C

ATOM
1338
CB
ARG
A
183
−52.312
1.683
29.435
1.00
29.73
C

ATOM
1339
CG
ARG
A
183
−52.933
2.741
28.572
1.00
42.79
C

ATOM
1340
CD
ARG
A
183
−54.461
2.766
28.750
1.00
42.63
C

ATOM
1341
NE
ARG
A
183
−54.722
3.168
30.106
1.00
44.90
N

ATOM
1342
CZ
ARG
A
183
−55.068
4.397
30.461
1.00
49.59
O

ATOM
1343
NH1
ARG
A
183
−55.263
5.353
29.554
1.00
57.02
N

ATOM
1344
NH2
ARG
A
183
−55.220
4.658
31.725
1.00
35.21
N

ATOM
1345
C
ARG
A
183
−50.452
0.086
29.715
1.00
28.67
C

ATOM
1346
O
ARG
A
183
−50.664
−0.873
28.970
1.00
29.24
O

ATOM
1347
N
ILE
A
184
−49.906
−0.024
30.926
1.00
32.41
N

ATOM
1348
CA
ILE
A
184
−49.752
−1.294
31.614
1.00
30.09
C

ATOM
1349
CB
ILE
A
184
−48.253
−1.743
31.692
1.00
26.95
C

ATOM
1350
CG1
ILE
A
184
−47.375
−0.670
32.334
1.00
27.08
C

ATOM
1351
CD1
ILE
A
184
−45.926
−1.130
32.700
1.00
32.85
C

ATOM
1352
CG2
ILE
A
184
−47.765
−2.083
30.295
1.00
29.79
C

ATOM
1353
C
ILE
A
184
−50.375
−1.269
33.027
1.00
34.15
C

ATOM
1354
O
ILE
A
184
−50.610
−0.194
33.584
1.00
36.08
O

ATOM
1355
N
ASP
A
185
−50.537
−2.454
33.619
1.00
33.90
N

ATOM
1356
CA
ASP
A
185
−51.325
−2.631
34.854
1.00
33.79
C

ATOM
1357
CG
ASP
A
185
−51.735
−4.100
35.007
1.00
33.79
C

ATOM
1358
CG
ASP
A
185
−52.648
−4.593
33.895
1.00
41.25
C

ATOM
1359
OD1
ASP
A
185
−52.974
−5.790
33.883
1.00
50.62
O

ATOM
1360
OD2
ASP
A
185
−53.055
−3.804
33.027
1.00
44.32
O

ATOM
1361
C
ASP
A
185
−50.629
−2.184
36.142
1.00
33.44
C

ATOM
1362
O
ASP
A
185
−51.264
−1.961
37.166
1.00
37.78
O

ATOM
1363
N
ARG
A
186
−49.322
−2.071
36.104
1.00
31.96
N

ATOM
1364
CA
ARG
A
186
−48.531
−1.805
37.304
1.00
35.93
C

ATOM
1365
CB
ARG
A
186
−48.748
−2.881
38.361
1.00
38.32
C

ATOM
1366
CG
ARG
A
186
−48.211
−4.248
38.010
1.00
38.19
C

ATOM
1367
CD
ARG
A
186
−48.781
−5.263
38.981
1.00
44.58
C

ATOM
1368
NE
ARG
A
186
−48.354
−6.610
38.627
1.00
43.20
N

ATOM
1369
CZ
ARG
A
186
−49.098
−7.462
37.927
1.00
46.85
C

ATOM
1370
NH1
ARG
A
186
−50.301
−7.094
37.502
1.00
42.38
N

ATOM
1371
NH2
ARG
A
186
−48.628
−8.670
37.687
1.00
41.07
N

ATOM
1372
C
ARG
A
186
−47.074
−1.759
36.917
1.00
33.63
C

ATOM
1373
O
ARG
A
186
−46.750
−2.063
35.776
1.00
36.18
O

ATOM
1374
N
LYS
A
187
−46.208
−1.374
37.857
1.00
34.39
N

ATOM
1375
CA
LYS
A
187
−44.757
−1.329
37.641
1.00
38.75
C

ATOM
1376
CB
LYS
A
187
−44.160
−0.262
38.547
1.00
42.51
C

ATOM
1377
CG
LYS
A
187
−43.075
0.574
37.933
1.00
52.57
C

ATOM
1378
CD
LYS
A
187
−42.430
1.531
38.949
1.00
55.20
C

ATOM
1379
CE
LYS
A
187
−40.957
1.812
38.552
1.00
57.73
C

ATOM
1380
NZ
LYS
A
187
−40.580
3.268
38.615
1.00
59.31
N

ATOM
1381
C
LYS
A
187
−44.099
−2.657
38.016
1.00
38.93
C

ATOM
1382
O
LYS
A
187
−43.145
−3.083
37.388
1.00
39.65
O

ATOM
1383
N
GLY
A
188
−44.608
−3.329
39.049
1.00
40.95
N

ATOM
1384
CA
GLY
A
188
−43.907
−4.517
39.574
1.00
36.72
O

ATOM
1385
C
GLY
A
188
−44.511
−5.819
39.109
1.00
40.75
C

ATOM
1386
O
GLY
A
188
−45.701
−6.036
39.295
1.00
37.42
O

ATOM
1387
N
PHE
A
189
−43.685
−6.697
38.520
1.00
43.53
N

ATOM
1388
CA
PHE
A
189
−44.139
−7.998
37.976
1.00
42.67
C

ATOM
1389
CB
PHE
A
189
−44.104
−8.023
36.435
1.00
41.98
C

ATOM
1390
CG
PHE
A
189
−45.075
−7.076
35.783
1.00
37.02
C

ATOM
1391
CD1
PHE
A
189
−46.355
−7.492
35.454
1.00
40.86
C

ATOM
1392
CE1
PHE
A
189
−47.267
−6.609
34.844
1.00
34.96
C

ATOM
1393
CZ
PHE
A
189
−46.877
−5.301
34.584
1.00
36.32
C

ATOM
1394
CE2
PHE
A
189
−45.592
−4.889
34.911
1.00
33.96
C

ATOM
1395
CD2
PHE
A
189
−44.698
−5.777
35.502
1.00
31.96
C

ATOM
1396
C
PHE
A
189
−43.207
−9.082
38.487
1.00
44.82
C

ATOM
1397
O
PHE
A
189
−42.059
−8.802
38.777
1.00
41.58
O

ATOM
1398
N
CYS
A
190
−43.725
−10.308
38.578
1.00
47.34
N

ATOM
1399
CA
CYS
A
190
−42.970
−11.477
39.014
1.00
50.83
C

ATOM
1400
CB
CYS
A
190
−43.937
−12.439
39.716
1.00
54.28
C

ATOM
1401
SG
CYS
A
190
−44.590
−11.860
41.316
1.00
71.45
S

ATOM
1402
C
CYS
A
190
−42.392
−12.199
37.812
1.00
48.11
C

ATOM
1403
O
CYS
A
190
−43.079
−12.322
36.796
1.00
45.85
O

ATOM
1404
N
GLU
A
191
−41.167
−12.722
37.924
1.00
49.55
N

ATOM
1405
CA
GLU
A
191
−40.643
−13.613
36.885
1.00
51.42
C

ATOM
1406
CB
GLU
A
191
−39.351
−14.302
37.338
1.00
53.26
C

ATOM
1407
CG
GLU
A
191
−38.170
−13.335
37.509
1.00
55.25
C

ATOM
1408
CD
GLU
A
191
−36.844
−14.012
37.788
1.00
59.39
C

ATOM
1409
OE1
GLU
A
191
−35.804
−13.368
37.472
1.00
60.66
O

ATOM
1410
OE2
GLU
A
191
−36.840
−15.165
38.311
1.00
53.55
O

ATOM
1411
C
GLU
A
191
−41.707
−14.650
36.532
1.00
52.19
C

ATOM
1412
O
GLU
A
191
−42.363
−15.200
37.419
1.00
55.07
O

ATOM
1413
N
GLY
A
192
−41.923
−14.877
35.245
1.00
52.31
N

ATOM
1414
CA
GLY
A
192
−42.935
−15.824
34.812
1.00
52.20
C

ATOM
1415
C
GLY
A
192
−44.278
−15.197
34.491
1.00
52.75
C

ATOM
1416
O
GLY
A
192
−45.091
−15.809
33.800
1.00
53.26
O

ATOM
1417
N
ASP
A
193
−44.517
−13.978
34.978
1.00
53.35
N

ATOM
1418
CA
ASP
A
193
−45.709
−13.206
34.596
1.00
52.02
C

ATOM
1419
CB
ASP
A
193
−45.779
−11.885
35.379
1.00
52.54
C

ATOM
1420
CG
ASP
A
193
−46.366
−12.049
36.769
1.00
58.00
C

ATOM
1421
OD1
ASP
A
193
−46.806
−13.172
37.114
1.00
65.03
O

ATOM
1422
OD2
ASP
A
193
−46.386
−11.046
37.525
1.00
60.67
O

ATOM
1423
C
ASP
A
193
−45.790
−12.882
33.094
1.00
52.60
C

ATOM
1424
O
ASP
A
193
−44.904
−13.203
32.302
1.00
53.74
O

ATOM
1425
N
GLU
A
194
−46.886
−12.245
32.720
1.00
49.80
N

ATOM
1426
CA
GLU
A
194
−46.997
−11.608
31.445
1.00
49.57
C

ATOM
1427
CB
GLU
A
194
−48.107
−12.252
30.624
1.00
51.11
C

ATOM
1428
CG
GLU
A
194
−47.567
−13.238
29.582
1.00
60.50
C

ATOM
1429
CD
GLU
A
194
−48.510
−14.394
29.308
1.00
71.14
C

ATOM
1430
OE1
GLU
A
194
−49.713
−14.143
29.064
1.00
76.91
O

ATOM
1431
OE2
GLU
A
194
−48.039
−15.558
29.337
1.00
76.27
O

ATOM
1432
C
GLU
A
194
−47.311
−10.155
31.713
1.00
47.29
C

ATOM
1433
O
GLU
A
194
−48.127
−9.844
32.583
1.00
46.40
O

ATOM
1434
N
ILE
A
195
−46.635
−9.267
30.989
1.00
43.53
N

ATOM
1435
CA
ILE
A
195
−47.019
−7.867
30.945
1.00
38.53
C

ATOM
1436
CB
ILE
A
195
−45.797
−6.926
30.783
1.00
38.34
C

ATOM
1437
CG1
ILE
A
195
−44.720
−7.244
31.828
1.00
42.85
C

ATOM
1438
CD1
ILE
A
195
−43.462
−6.340
31.702
1.00
40.67
C

ATOM
1439
CG2
ILE
A
195
−46.217
−5.444
30.853
1.00
35.89
C

ATOM
1440
C
ILE
A
195
47.987
7.709
29.779
1.00
39.54
C

ATOM
1441
O
ILE
A
195
−47.637
−7.896
28.650
1.00
38.03
O

ATOM
1442
N
SER
A
196
−49.227
−7.404
30.104
1.00
39.67
N

ATOM
1443
CA
SER
A
196
−50.283
−7.222
29.155
1.00
38.61
C

ATOM
1444
CB
SER
A
196
−51.607
−7.611
29.830
1.00
42.28
C

ATOM
1445
OG
SER
A
196
−52.708
−7.517
28.953
1.00
44.84
O

ATOM
1446
C
SER
A
196
−50.239
−5.739
28.767
1.00
36.69
C

ATOM
1447
O
SER
A
196
−50.121
−4.866
29.631
1.00
35.36
O

ATOM
1448
N
ILE
A
197
−50.299
−5.467
27.466
1.00
33.53
N

ATOM
1449
CA
ILE
A
197
−50.103
−4.114
26.946
1.00
33.75
C

ATOM
1450
CB
ILE
A
197
−48.809
−3.952
26.034
1.00
33.86
C

ATOM
1451
CG1
ILE
A
197
−47.525
−4.429
26.760
1.00
36.65
C

ATOM
1452
CD1
ILE
A
197
−46.358
−4.944
25.800
1.00
38.48
C

ATOM
1453
CG2
ILE
A
197
−48.657
−2.487
25.636
1.00
28.41
C

ATOM
1454
C
ILE
A
197
−51.280
−3.646
26.126
1.00
34.16
C

ATOM
1455
O
ILE
A
197
−51.701
−4.308
25.188
1.00
35.97
O

ATOM
1456
N
HIS
A
198
−51.748
−2.447
26.467
1.00
29.05
N

ATOM
1457
CA
HIS
A
198
−52.774
−1.739
25.748
1.00
29.16
C

ATOM
1458
CB
HIS
A
198
−53.736
−1.155
26.766
1.00
28.61
C

ATOM
1459
CG
HIS
A
198
−54.892
−0.406
26.179
1.00
36.86
C

ATOM
1460
ND1
HIS
A
198
−54.848
0.951
25.917
1.00
45.40
N

ATOM
1461
CE1
HIS
A
198
−56.013
1.341
25.428
1.00
38.83
C

ATOM
1462
NE2
HIS
A
198
−56.809
0.287
25.363
1.00
38.75
N

ATOM
1463
CD2
HIS
A
198
−56.133
−0.817
25.829
1.00
35.94
C

ATOM
1464
C
HIS
A
198
−52.042
−0.582
25.088
1.00
31.81
C

ATOM
1465
O
HIS
A
198
−51.443
0.234
25.786
1.00
31.76
O

ATOM
1466
N
ALA
A
199
−52.059
−0.520
23.755
1.00
31.21
N

ATOM
1467
CA
ALA
A
199
−51.423
0.597
23.067
1.00
30.88
C

ATOM
1468
CB
ALA
A
199
−49.992
0.294
22.753
1.00
27.56
C

ATOM
1469
C
ALA
A
199
−52.170
1.020
21.815
1.00
31.60
C

ATOM
1470
O
ALA
A
199
−52.883
0.240
21.195
1.00
31.93
O

ATOM
1471
N
ASP
A
200
−52.000
2.280
21.465
1.00
30.50
N

ATOM
1472
CA
ASP
A
200
−52.618
2.828
20.272
1.00
30.24
C

ATOM
1473
CB
ASP
A
200
−53.669
3.888
20.657
1.00
29.38
C

ATOM
1474
CG
ASP
A
200
−54.856
3.302
21.398
1.00
38.29
C

ATOM
1475
OD1
ASP
A
200
−55.192
2.086
21.280
1.00
36.70
O

ATOM
1476
OD2
ASP
A
200
−55.466
4.077
22.128
1.00
26.61
O

ATOM
1477
C
ASP
A
200
−51.504
3.515
19.532
1.00
31.54
C

ATOM
1478
O
ASP
A
200
−50.681
4.211
20.153
1.00
30.53
O

ATOM
1479
N
PHE
A
201
−51.503
3.363
18.205
1.00
29.95
N

ATOM
1480
CA
PHE
A
201
−50.400
3.838
17.398
1.00
29.52
C

ATOM
1481
CB
PHE
A
201
−49.706
2.612
16.785
1.00
29.10
C

ATOM
1482
CG
PHE
A
201
−49.059
1.699
17.821
1.00
28.51
C

ATOM
1483
CD1
PHE
A
201
−47.839
2.027
18.362
1.00
28.10
C

ATOM
1484
CE1
PHE
A
201
−47.222
1.196
19.297
1.00
32.08
C

ATOM
1485
CZ
PHE
A
201
−47.854
0.074
19.719
1.00
33.12
C

ATOM
1486
CE2
PHE
A
201
−49.074
−0.286
19.196
1.00
27.14
C

ATOM
1487
CD2
PHE
A
201
−49.668
0.516
18.223
1.00
35.38
C

ATOM
1488
C
PHE
A
201
−51.034
4.670
16.293
1.00
33.05
C

ATOM
1489
O
PHE
A
201
−51.954
4.200
15.699
1.00
34.17
O

ATOM
1490
N
GLU
A
202
−50.553
5.881
16.021
1.00
31.39
N

ATOM
1491
CA
GLU
A
202
−51.060
6.643
14.879
1.00
31.79
C

ATOM
1492
CB
GLU
A
202
−51.441
8.076
15.247
1.00
31.62
C

ATOM
1493
CG
GLU
A
202
−52.628
8.323
16.126
1.00
45.42
C

ATOM
1494
CD
GLU
A
202
−53.353
9.615
15.707
1.00
48.40
C

ATOM
1495
OE1
GLU
A
202
−52.861
10.410
14.835
1.00
52.68
O

ATOM
1496
OE2
GLU
A
202
−54.435
9.823
16.240
1.00
51.41
O

ATOM
1497
C
GLU
A
202
−49.958
6.828
13.865
1.00
31.34
C

ATOM
1498
O
GLU
A
202
−48.822
7.110
14.252
1.00
31.04
O

ATOM
1499
N
ASN
A
203
−50.295
6.754
12.588
1.00
28.41
N

ATOM
1500
CA
ASN
A
203
−49.320
7.047
11.497
1.00
28.26
C

ATOM
1501
CB
ASN
A
203
−48.771
5.783
10.910
1.00
29.36
C

ATOM
1502
CG
ASN
A
203
−47.738
5.966
9.845
1.00
31.84
C

ATOM
1503
OD1
ASN
A
203
−47.143
7.045
9.798
1.00
28.05
O

ATOM
1504
ND2
ASN
A
203
−47.536
4.982
8.950
1.00
26.51
N

ATOM
1505
C
ASN
A
203
−49.903
7.918
10.401
1.00
26.62
C

ATOM
1506
O
ASN
A
203
−50.532
7.418
9.471
1.00
28.67
O

ATOM
1507
N
THR
A
204
−49.734
9.237
10.504
1.00
28.19
N

ATOM
1508
CA
THR
A
204
−50.159
10.139
9.441
1.00
28.81
C

ATOM
1509
CB
THR
A
204
−50.771
11.491
9.992
1.00
32.00
C

ATOM
1510
OG1
THR
A
204
−49.826
12.128
10.842
1.00
30.76
O

ATOM
1511
CG2
THR
A
204
−52.002
11.236
10.853
1.00
32.22
C

ATOM
1512
C
THR
A
204
−48.947
10.461
8.564
1.00
30.81
C

ATOM
1513
O
THR
A
204
−49.057
11.212
7.583
1.00
33.85
O

ATOM
1514
N
SER
A
205
−47.784
9.877
8.875
1.00
28.80
N

ATOM
1515
CA
SER
A
205
−46.569
10.082
8.040
1.00
26.52
C

ATOM
1516
CB
SER
A
205
−45.349
9.502
8.758
1.00
26.46
C

ATOM
1517
OG
SER
A
205
−45.133
8.169
8.319
1.00
32.23
O

ATOM
1518
C
SER
A
205
−46.736
9.420
6.656
1.00
29.80
C

ATOM
1519
O
SER
A
205
−47.684
8.625
6.463
1.00
29.01
O

ATOM
1520
N
SER
A
206
−45.841
9.754
5.687
1.00
26.21
N

ATOM
1521
CA
SER
A
206
−45.773
9.070
4.422
1.00
29.85
C

ATOM
1522
CB
SER
A
206
−44.973
9.904
3.402
1.00
30.13
C

ATOM
1523
OG
SER
A
206
−43.635
10.009
3.882
1.00
31.92
O

ATOM
1524
C
SER
A
206
−45.164
7.665
4.482
1.00
31.00
C

ATOM
1525
O
SER
A
206
−45.253
6.940
3.510
1.00
31.18
O

ATOM
1526
N
ARG
A
207
−44.618
7.266
5.633
1.00
30.74
N

ATOM
1527
CA
ARG
A
207
−43.874
6.002
5.804
1.00
30.75
C

ATOM
1528
CB
ARG
A
207
−42.862
6.206
6.944
1.00
26.21
C

ATOM
1529
CG
ARG
A
207
−41.488
6.726
6.556
1.00
37.96
C

ATOM
1530
CD
ARG
A
207
−41.546
7.810
5.484
1.00
40.57
C

ATOM
1531
NE
ARG
A
207
−40.400
8.723
5.519
1.00
40.24
N

ATOM
1532
CZ
ARG
A
207
−40.516
10.042
5.694
1.00
50.03
C

ATOM
1533
NH1
ARG
A
207
−41.714
10.000
5.840
1.00
37.20
N

ATOM
1534
NH2
ARG
A
207
−39.435
10.806
5.720
1.00
49.55
N

ATOM
1535
C
ARG
A
207
−44.760
4.843
6.234
1.00
32.07
C

ATOM
1536
O
ARG
A
207
−45.807
5.068
6.800
1.00
28.17
O

ATOM
1537
N
ILE
A
208
−44.287
3.606
6.066
1.00
30.02
N

ATOM
1538
CA
ILE
A
208
−44.945
2.456
6.676
1.00
30.53
C

ATOM
1539
CB
ILE
A
208
−44.874
1.203
5.770
1.00
28.72
C

ATOM
1540
CG1
ILE
A
208
−45.691
1.400
4.484
1.00
30.42
C

ATOM
1541
CD1
ILE
A
208
−45.222
0.507
3.273
1.00
35.42
C

ATOM
1542
CG2
ILE
A
208
−45.385
0.014
6.510
1.00
34.68
C

ATOM
1543
C
ILE
A
208
−44.124
2.192
7.924
1.00
32.38
C

ATOM
1544
O
ILE
A
208
−42.890
2.005
7.813
1.00
31.77
O

ATOM
1545
N
VAL
A
209
−44.779
2.207
9.096
1.00
30.42
N

ATOM
1546
CA
VAL
A
209
−44.071
2.122
10.400
1.00
25.51
C

ATOM
1547
CB
VAL
A
209
−44.334
3.381
11.261
1.00
26.77
C

ATOM
1548
CG1
VAL
A
209
−44.135
4.659
10.416
1.00
20.25
C

ATOM
1549
CG2
VAL
A
209
−45.730
3.356
11.876
1.00
20.82
C

ATOM
1550
C
VAL
A
209
44.407
0.792
11.099
1.00
29.61
C

ATOM
1551
O
VAL
A
209
−45.364
0.126
10.701
1.00
29.55
O

ATOM
1552
N
VAL
A
210
−43.595
0.366
12.065
1.00
29.88
N

ATOM
1553
CA
VAL
A
210
−43.755
−0.934
12.693
1.00
30.46
C

ATOM
1554
CB
VAL
A
210
−42.711
−1.997
12.225
1.00
30.02
C

ATOM
1555
CG1
VAL
A
210
−42.980
−3.334
12.946
1.00
28.24
C

ATOM
1556
CG2
VAL
A
210
−42.764
−2.208
10.765
1.00
36.36
C

ATOM
1557
C
VAL
A
210
−43.619
−0.793
14.197
1.00
31.20
C

ATOM
1558
O
VAL
A
210
−42.534
−0.429
14.700
1.00
31.02
O

ATOM
1559
N
PRO
A
211
−44.717
−1.078
14.939
1.00
33.59
N

ATOM
1560
CA
PRO
A
211
−44.692
−1.064
16.409
1.00
27.00
C

ATOM
1561
CB
PRO
A
211
−46.158
−1.036
16.769
1.00
28.45
C

ATOM
1562
CG
PRO
A
211
−46.800
−1.826
15.692
1.00
28.64
C

ATOM
1563
CD
PRO
A
211
46.062
1.427
14.415
1.00
31.62
C

ATOM
1564
C
PRO
A
211
−44.047
−2.332
16.978
1.00
31.20
C

ATOM
1565
O
PRO
A
211
−44.237
−3.450
16.442
1.00
26.53
O

ATOM
1566
N
LYS
A
212
−43.232
−2.150
18.004
1.00
29.31
N

ATOM
1567
CA
LYS
A
212
−42.472
−3.251
18.605
1.00
28.91
C

ATOM
1568
CB
LYS
A
212
−41.033
−3.361
18.016
1.00
27.41
C

ATOM
1569
CG
LYS
A
212
−40.984
−3.339
16.507
1.00
26.22
C

ATOM
1570
CD
LYS
A
212
−39.544
−3.526
15.987
1.00
29.31
C

ATOM
1571
CE
LYS
A
212
−39.514
−3.519
14.472
1.00
32.98
C

ATOM
1572
NZ
LYS
A
212
−38.081
−3.498
14.046
1.00
37.36
N

ATOM
1573
C
LYS
A
212
−42.420
−2.989
20.079
1.00
32.10
C

ATOM
1574
O
LYS
A
212
−42.680
−1.872
20.530
1.00
31.68
O

ATOM
1575
N
ALA
A
213
−42.157
−4.038
20.851
1.00
32.57
N

ATOM
1576
CA
ALA
A
213
−41.960
−3.846
22.274
1.00
30.64
C

ATOM
1577
CB
ALA
A
213
−43.265
−3.938
23.014
1.00
27.65
C

ATOM
1578
C
ALA
A
213
−40.978
−4.898
22.796
1.00
27.62
C

ATOM
1579
O
ALA
A
213
−40.823
−5.962
22.221
1.00
31.26
O

ATOM
1580
N
ALA
A
214
−40.291
−4.586
23.872
1.00
30.11
N

ATOM
1581
CA
ALA
A
214
−39.256
−5.473
24.339
1.00
27.81
C

ATOM
1582
CB
ALA
A
214
−37.935
−5.327
23.528
1.00
29.87
C

ATOM
1583
C
ALA
A
214
−39.034
−5.166
25.768
1.00
31.78
C

ATOM
1584
O
ALA
A
214
−39.120
−3.995
26.210
1.00
30.05
O

ATOM
1585
N
ILE
A
215
−38.768
−6.226
26.515
1.00
31.28
N

ATOM
1586
CA
ILE
A
215
−38.279
−6.068
27.869
1.00
30.48
C

ATOM
1587
CB
ILE
A
215
−38.751
−7.192
28.805
1.00
30.28
C

ATOM
1588
CG1
ILE
A
215
−40.254
−7.088
29.057
1.00
38.42
C

ATOM
1589
CD1
ILE
A
215
−40.888
−8.440
29.399
1.00
45.27
C

ATOM
1590
CG2
ILE
A
215
−38.044
−7.082
30.166
1.00
37.32
C

ATOM
1591
C
ILE
A
215
−36.755
−6.040
27.755
1.00
31.63
C

ATOM
1592
O
ILE
A
215
−36.140
−6.843
27.030
1.00
30.47
O

ATOM
1593
N
VAL
A
216
−36.134
−5.089
28.431
1.00
31.91
N

ATOM
1594
CA
VAL
A
216
−34.660
−4.964
28.414
1.00
37.11
C

ATOM
1595
CB
VAL
A
216
−34.189
−3.697
27.633
1.00
39.95
C

ATOM
1596
CG1
VAL
A
216
−34.646
−3.748
26.172
1.00
37.88
C

ATOM
1597
CG2
VAL
A
216
−34.734
−2.432
28.297
1.00
43.04
C

ATOM
1598
C
VAL
A
216
−34.128
−4.917
29.858
1.00
36.61
C

ATOM
1599
O
VAL
A
216
−34.767
−4.320
30.751
1.00
36.35
O

ATOM
1600
N
ALA
A
217
−32.987
−5.580
30.061
1.00
38.81
N

ATOM
1601
CA
ALA
A
217
−32.326
−5.780
31.368
1.00
39.39
C

ATOM
1602
CB
ALA
A
217
−32.038
−7.258
31.597
1.00
37.63
C

ATOM
1603
C
ALA
A
217
−31.024
−5.031
31.306
1.00
42.80
C

ATOM
1604
O
ALA
A
217
−30.175
−5.316
30.456
1.00
45.03
O

ATOM
1605
N
ARG
A
218
−30.860
−4.042
32.165
1.00
43.59
N

ATOM
1606
CA
ARG
A
218
−29.634
−3.280
32.160
1.00
45.58
C

ATOM
1607
CB
ARG
A
218
−29.945
−1.791
32.119
1.00
45.69
C

ATOM
1608
CG
ARG
A
218
−30.720
−1.370
30.873
1.00
42.92
C

ATOM
1609
CD
ARG
A
218
−30.867
0.142
30.843
1.00
46.13
C

ATOM
1610
NE
ARG
A
218
−31.785
0.574
29.778
1.00
53.31
N

ATOM
1611
CZ
ARG
A
218
−33.072
0.847
29.982
1.00
52.24
C

ATOM
1612
NH1
ARG
A
218
−33.592
0.720
31.211
1.00
43.90
N

ATOM
1613
NH2
ARG
A
218
−33.838
1.228
28.958
1.00
40.23
N

ATOM
1614
C
ARG
A
218
−28.760
−3.660
33.375
1.00
47.52
C

ATOM
1615
O
ARG
A
218
−29.011
−3.229
34.486
1.00
46.08
O

ATOM
1616
N
HIS
A
219
−27.752
−4.492
33.125
1.00
49.89
N

ATOM
1617
CA
HIS
A
219
−26.904
−5.036
34.188
1.00
51.47
C

ATOM
1618
CB
HIS
A
219
−26.228
−6.321
33.754
1.00
50.86
C

ATOM
1619
CG
HIS
A
219
−27.178
−7.449
33.518
1.00
56.13
C

ATOM
1620
ND1
HIS
A
219
−27.868
−7.606
32.333
1.00
62.38
N

ATOM
1621
CE1
HIS
A
219
−28.621
−8.690
32.405
1.00
59.02
C

ATOM
1622
NE2
HIS
A
219
−28.446
−9.241
33.593
1.00
65.49
N

ATOM
1623
CD2
HIS
A
219
−27.548
−8.485
34.309
1.00
63.66
C

ATOM
1624
C
HIS
A
219
−25.859
−4.037
34.611
1.00
50.60
C

ATOM
1625
O
HIS
A
219
−25.101
−3.513
33.808
1.00
50.02
O

ATOM
1626
N
THR
A
220
−25.868
−3.750
35.897
1.00
52.69
N

ATOM
1627
CA
THR
A
220
−24.852
−2.945
36.518
1.00
52.85
C

ATOM
1628
CB
THR
A
220
−25.481
−1.843
37.429
1.00
52.60
C

ATOM
1629
OG1
THR
A
220
−25.940
−0.756
36.617
1.00
57.42
O

ATOM
1630
CG2
THR
A
220
−24.449
−1.281
38.371
1.00
54.63
C

ATOM
1631
C
THR
A
220
−24.030
−3.988
37.283
1.00
50.84
C

ATOM
1632
O
THR
A
220
−24.549
−4.750
38.105
1.00
51.99
O

ATOM
1633
N
TYR
A
221
−22.768
−4.083
36.931
1.00
54.40
N

ATOM
1634
CA
TYR
A
221
−21.943
−5.223
37.370
1.00
55.25
C

ATOM
1635
CB
TYR
A
221
−21.901
−6.378
36.332
1.00
56.42
C

ATOM
1636
CG
TYR
A
221
−21.248
−6.064
34.994
1.00
60.00
C

ATOM
1637
CD1
TYR
A
221
−19.954
−6.499
34.701
1.00
62.67
C

ATOM
1638
CE1
TYR
A
221
−19.355
−6.217
33.452
1.00
63.42
C

ATOM
1639
CZ
TYR
A
221
−20.062
−5.500
32.484
1.00
65.06
C

ATOM
1640
OH
TYR
A
221
−19.490
−5.217
31.260
1.00
56.98
O

ATOM
1641
CE2
TYR
A
221
−21.346
−5.069
32.750
1.00
61.84
C

ATOM
1642
CD2
TYR
A
221
−21.939
−5.359
34.002
1.00
65.91
C

ATOM
1643
C
TYR
A
221
−20.564
−4.710
37.677
1.00
55.47
C

ATOM
1644
O
TYR
A
221
−20.136
−3.686
37.102
1.00
53.78
O

ATOM
1645
N
LEU
A
222
−19.892
−5.408
38.600
1.00
52.35
N

ATOM
1646
CA
LEU
A
222
−18.534
−5.050
38.975
1.00
56.13
C

ATOM
1647
CB
LEU
A
222
−18.260
−5.372
40.456
1.00
57.21
C

ATOM
1648
CG
LEU
A
222
−19.207
−4.773
41.494
1.00
54.83
C

ATOM
1649
CD1
LEU
A
222
−19.169
−5.593
42.788
1.00
56.70
C

ATOM
1650
CD2
LEU
A
222
−18.897
−3.305
41.733
1.00
67.28
C

ATOM
1651
C
LEU
A
222
−17.586
−5.833
38.095
1.00
56.26
C

ATOM
1652
O
LEU
A
222
−17.585
−7.082
38.145
1.00
52.71
O

ATOM
1653
N
ALA
A
223
−16.817
−5.098
37.275
1.00
55.71
N

ATOM
1654
CA
ALA
A
223
−15.825
−5.688
36.381
1.00
56.86
C

ATOM
1655
CB
ALA
A
223
−16.442
−6.126
35.070
1.00
57.95
C

ATOM
1656
C
ALA
A
223
−14.680
−4.706
36.134
1.00
58.20
C

ATOM
1657
O
ALA
A
223
−14.913
−3.530
35.779
1.00
57.95
O

ATOM
1658
N
ASN
A
224
−13.473
−5.229
36.327
1.00
59.16
N

ATOM
1659
CA
ASN
A
224
−12.240
−4.438
36.475
1.00
57.55
C

ATOM
1660
CB
ASN
A
224
−11.867
−3.745
35.152
1.00
56.17
C

ATOM
1661
CG
ASN
A
224
−11.163
−4.690
34.182
1.00
68.62
C

ATOM
1662
OD1
ASN
A
224
−10.472
−4.249
33.242
1.00
67.36
O

ATOM
1663
ND2
ASN
A
224
−11.312
−6.004
34.423
1.00
64.61
N

ATOM
1664
C
ASN
A
224
−12.278
−3.449
37.645
1.00
54.05
C

ATOM
1665
O
ASN
A
224
−12.690
−3.787
38.772
1.00
53.18
O

ATOM
1666
N
GLY
A
225
−11.859
−2.223
37.365
1.00
54.25
N

ATOM
1667
CA
GLY
A
225
−11.072
−1.185
38.307
1.00
55.09
C

ATOM
1668
C
GLY
A
225
−13.149
−0.399
38.294
1.00
58.27
C

ATOM
1669
O
GLY
A
225
−13.205
0.725
38.791
1.00
60.25
O

ATOM
1670
N
GLN
A
225
−14.178
−0.998
37.585
1.00
59.36
N

ATOM
1671
CA
GLN
A
226
−15.404
0.273
37.334
1.00
60.75
C

ATOM
1672
CB
GLN
A
226
−15.409
0.121
35.372
1.00
58.01
C

ATOM
1673
CG
GLN
A
226
−14.197
0.959
35.372
1.00
66.38
C

ATOM
1674
CD
GLN
A
226
−14.221
2.421
35.841
1.00
78.13
C

ATOM
1675
OE1
GLN
A
226
−14.285
2.708
37.047
1.00
77.44
O

ATOM
1676
NE2
GLN
A
226
−14.137
3.355
34.883
1.00
77.38
N

ATOM
1677
C
GLN
A
226
−16.730
0.965
37.657
1.00
50.37
C

ATOM
1678
O
GLN
A
226
−16.831
−2.184
37.867
1.00
58.82
O

ATOM
1679
N
THR
A
227
−17.741
−0.115
37.740
1.00
62.71
N

ATOM
1680
CA
THR
A
227
−19.117
−0.505
37.579
1.00
63.58
C

ATOM
1681
CB
THR
A
227
−20.012
0.274
38.551
1.00
64.44
C

ATOM
1682
OG1
THR
A
227
−19.653
−0.071
39.900
1.00
65.66
O

ATOM
1683
CG2
THR
A
227
−21.497
−0.036
38.304
1.00
61.90
C

ATOM
1684
C
THR
A
227
−19.443
−0.182
36.119
1.00
61.90
C

ATOM
1685
O
THR
A
227
−19.384
0.983
35.704
1.00
84.46
O

ATOM
1686
N
LYS
A
228
−19.702
−1.220
35.329
1.00
57.90
N

ATOM
1687
CA
LYS
A
228
−20.197
−1.029
33.941
1.00
57.35
C

ATOM
1688
CB
LYS
A
228
−19.284
−1.718
32.905
1.00
58.00
C

ATOM
1689
CG
LYS
A
228
−17.995
−0.926
32.550
1.00
62.03
C

ATOM
1690
CD
LYS
A
228
−17.305
−1.406
31.280
1.00
57.11
C

ATOM
1691
CF
LYS
A
228
−16.527
−2.706
31.462
1.00
57.06
C

ATOM
1692
NZ
LYS
A
228
−15.752
−3.101
30.233
1.00
58.21
N

ATOM
1693
C
LYS
A
228
−21.650
−1.517
33.804
1.00
53.24
C

ATOM
1694
O
LYS
A
228
−22.198
−2.129
34.747
1.00
52.17
O

ATOM
1695
N
VAL
A
229
−22.244
−1.271
32.531
1.00
55.15
N

ATOM
1696
CA
VAL
A
229
−23.638
−1.057
35.341
1.00
52.12
C

ATOM
1697
CB
VAL
A
229
−24.657
−0.447
32.533
1.00
56.62
C

ATOM
1698
CG1
VAL
A
229
−24.205
0.804
31.773
1.00
55.71
C

ATOM
1699
CG2
VAL
A
229
−26.114
−0.836
32.159
1.00
48.84
C

ATOM
1700
C
VAL
A
229
−23.792
−2.374
30.993
1.00
50.09
C

ATOM
1701
O
VAL
A
229
−23.416
−1.860
29.932
1.00
48.60
O

ATOM
1702
N
LEU
A
230
−24.321
−3.592
31.046
1.00
45.32
N

ATOM
1703
CA
LEU
A
230
−24.666
−4.318
29.826
1.00
46.51
C

ATOM
1704
CB
LEU
A
230
−24.302
−5.788
30.038
1.00
46.36
C

ATOM
1705
CG
LEU
A
230
−24.359
−5.900
29.001
1.00
52.20
C

ATOM
1706
CD1
LEU
A
230
−23.736
−6.482
27.682
1.00
53.05
C

ATOM
1707
CD2
LEU
A
230
−23.532
−8.116
29.552
1.00
57.32
C

ATOM
1708
C
LEU
A
230
−26.190
−4.161
29.651
1.00
43.65
C

ATOM
1709
O
LEU
A
230
26.936
4.398
30.587
1.00
41.16
C

ATOM
1710
N
THR
A
231
−26.638
−3.746
28.478
1.00
45.55
N

ATOM
1711
CA
THR
A
231
−28.069
−3.796
28.107
1.00
42.80
C

ATOM
1712
CB
THR
A
231
−28.480
−2.555
27.298
1.00
46.87
C

ATOM
1713
OG1
THR
A
231
−28.016
−1.371
27.975
1.00
50.03
C

ATOM
1714
OG2
THR
A
231
−30.001
−2.487
27.136
1.00
39.89
C

ATOM
1715
C
THR
A
231
−28.415
−5.068
27.355
1.00
41.35
C

ATOM
1716
O
THR
A
231
−27.893
−5.356
26.273
1.00
42.16
O

ATOM
1717
N
GLN
A
232
29.290
−5.857
27.951
1.00
40.57
N

ATOM
1718
CA
GLN
A
232
−29.722
−7.106
27.354
1.00
40.70
C

ATOM
1719
CB
GLN
A
232
−29.565
−8.217
28.370
1.00
42.29
C

ATOM
1720
CG
GLN
A
232
−30.007
−9.567
27.874
1.00
49.94
O

ATOM
1721
CD
GLN
A
232
−29.911
−10.676
28.924
1.00
55.50
C

ATOM
1722
OE1
GLN
A
232
−29.658
−10.424
30.095
1.00
55.41
O

ATOM
1723
NE2
GLN
A
232
−30.127
−11.920
28.490
1.00
62.04
N

ATOM
1724
C
GLN
A
232
−31.212
−7.005
25.949
1.00
40.92
C

ATOM
1725
O
GLN
A
232
−32.020
−6.489
27.698
1.00
42.29
O

ATOM
1725
N
LYS
A
233
−31.553
−7.533
25.789
1.00
38.31
N

ATOM
1727
CA
LYS
A
233
−32.939
−7.591
25.295
1.00
37.89
C

ATOM
1728
CB
LYS
A
233
−32.944
−7.383
23.781
1.00
35.83
C

ATOM
1729
CG
LYS
A
233
−34.319
−7.294
23.130
1.00
36.47
C

ATOM
1730
CD
LYS
A
233
−34.116
−7.447
21.640
1.00
44.08
C

ATOM
1731
CE
LYS
A
233
−35.417
−7.549
26.920
1.00
48.94
C

ATOM
1732
NZ
LYS
A
233
−35.168
−7.712
19.461
1.00
38.90
N

ATOM
1733
C
LYS
A
233
−33.489
−8.969
25.658
1.00
34.81
C

ATOM
1734
O
LYS
A
233
−32.914
−10.004
25.319
1.00
30.50
O

ATOM
1735
N
LEU
A
234
−34.579
−8.974
26.399
1.00
34.45
N

ATOM
1736
CA
LEU
A
234
−35.238
−10.206
26.763
1.00
35.01
C

ATOM
1737
CB
LEU
A
234
−35.704
−10.138
28.216
1.00
32.75
C

ATOM
1738
CG
LEU
A
234
−34.620
−9.772
29.243
1.00
33.13
C

ATOM
1739
CD1
LEU
A
234
−35.128
−9.903
30.654
1.00
33.00
C

ATOM
1740
CD2
LEU
A
234
−33.440
−10.706
29.055
1.00
41.19
C

ATOM
1741
C
LEU
A
234
−36.390
−10.435
25.793
1.00
38.17
C

ATOM
1742
O
LEU
A
234
−36.191
−10.404
24.575
1.00
34.11
O

ATOM
1743
N
SER
A
235
−37.586
−10.692
26.310
1.00
32.50
N

ATOM
1744
CA
SER
A
235
−38.653
−11.079
25.416
1.00
39.39
C

ATOM
1745
CB
SER
A
235
39.813
11.677
26.223
1.00
39.31
C

ATOM
1746
OG
SER
A
235
−40.096
−10.843
27.330
1.00
48.89
O

ATOM
1747
C
SER
A
235
−39.052
−9.859
24.567
1.00
33.95
C

ATOM
1748
O
SER
A
235
−38.881
−8.707
24.994
1.00
32.62
O

ATOM
1749
N
SER
A
236
−39.507
−10.118
23.350
1.00
34.4
N

ATOM
1750
CA
SER
A
236
−39.884
−9.044
22.444
1.00
33.55
C

ATOM
1751
CB
SER
A
236
−38.739
−8.707
21.490
1.00
28.26
C

ATOM
1752
OG
SER
A
236
−38.378
−9.818
20.694
1.00
35.56
O

ATOM
1753
C
SER
A
236
−41.090
−9.421
21.630
1.00
36.80
C

ATOM
1754
O
SER
A
236
−41.342
−10.607
21.425
1.00
33.40
O

ATOM
1755
N
VAL
A
237
−41.821
−8.407
21.156
1.00
38.48
N

ATOM
1756
CA
VAL
A
237
−42.893
−8.615
20.171
1.00
40.14
C

ATOM
1757
CB
VAL
A
237
−44.340
−8.561
20.772
1.00
40.79
C

ATOM
1758
CG1
VAL
A
237
−44.674
−9.808
21.538
1.00
46.97
C

ATOM
1759
CG2
VAL
A
237
−44.557
−7.385
21.651
1.00
37.25
C

ATOM
1760
C
VAL
A
237
−42.784
−7.631
19.005
1.00
41.55
C

ATOM
1761
O
VAL
A
237
−42.298
−6.514
19.153
1.00
36.36
O

ATOM
1762
N
ARG
A
238
−43.213
−8.082
17.832
1.00
42.99
N

ATOM
1763
CA
ARG
A
238
−43.387
−7.227
16.671
1.00
42.49
C

ATOM
1764
CB
ARG
A
238
−42.679
−7.888
15.505
1.00
41.92
C

ATOM
1765
CG
ARG
A
238
−42.240
−0.951
14.470
1.00
45.36
C

ATOM
1766
CD
ARG
A
238
−41.665
−7.705
13.309
1.00
45.73
C

ATOM
1767
NE
ARG
A
238
−41.936
−6.987
12.055
1.00
44.15
N

ATOM
1768
CZ
ARG
A
238
−41.008
−5.371
11.324
1.00
44.20
C

ATOM
1769
NH1
ARG
A
238
−41.352
−5.754
10.197
1.00
38.23
N

ATOM
1770
NH2
ARG
A
238
−39.731
−6.386
11.706
1.00
52.42
N

ATOM
1771
C
ARG
A
238
−44.890
−7.102
16.361
1.00
43.98
C

ATOM
1772
O
ARG
A
238
−45.653
−8.071
16.505
1.00
42.89
O

ATOM
1773
N
GLY
A
239
−45.329
−5.920
15.947
1.00
41.30
N

ATOM
1774
CA
GLY
A
239
−46.728
−5.768
15.535
1.00
38.77
C

ATOM
1775
C
GLY
A
239
−46.833
−5.736
14.023
1.00
38.13
C

ATOM
1776
O
GLY
A
239
−45.800
−5.705
13.320
1.00
36.20
O

ATOM
1777
N
ASN
A
240
−48.062
−5.736
13.498
1.00
37.43
N

ATOM
1778
CA
ASN
A
240
−48.247
−5.599
12.044
1.00
40.33
C

ATOM
1779
CB
ASN
A
240
−49.718
−5.710
11.665
1.00
42.01
C

ATOM
1780
CG
ASN
A
240
−50.272
−7.042
11.981
1.00
51.93
C

ATOM
1781
OD1
ASN
A
240
−49.881
−8.049
11.383
1.00
45.29
O

ATOM
1782
ND2
ASN
A
240
−51.165
−7.081
12.957
1.00
58.32
N

ATOM
1783
C
ASN
A
240
−47.780
−4.225
11.643
1.00
38.95
C

ATOM
1784
O
ASN
A
240
−47.933
−3.283
12.423
1.00
42.67
O

ATOM
1785
N
HIS
A
241
−47.216
−4.105
10.449
1.00
35.19
N

ATOM
1786
CA
HIS
A
241
46.833
2.799
9.964
1.00
37.82
C

ATOM
1787
CB
HIS
A
241
−46.125
−2.909
8.624
1.00
39.35
C

ATOM
1788
CG
HIS
A
241
−46.964
−3.504
7.534
1.00
52.04
C

ATOM
1789
ND1
HIS
A
241
−47.126
−4.867
7.373
1.00
64.85
N

ATOM
1790
CE1
HIS
A
241
−47.904
−5.096
6.327
1.00
66.06
C

ATOM
1791
NE2
HIS
A
241
−48.252
−3.933
5.803
1.00
62.74
N

ATOM
1792
CD2
HIS
A
241
−47.681
−2.920
6.540
1.00
58.21
C

ATOM
1793
C
HIS
A
241
−48.068
−1.917
9.867
1.00
39.52
C

ATOM
1794
O
HIS
A
241
−49.199
−2.422
9.721
1.00
40.33
O

ATOM
1795
N
ILE
A
242
−47.860
−0.607
9.933
1.00
33.93
N

ATOM
1796
CA
ILE
A
242
−48.958
0.337
9.910
1.00
28.85
C

ATOM
1797
CB
ILE
A
242
−49.011
1.138
11.264
1.00
25.31
C

ATOM
1798
CG1
ILE
A
242
−49.225
0.190
12.462
1.00
29.88
C

ATOM
1799
CD1
ILE
A
242
−49.009
0.867
13.846
1.00
36.05
C

ATOM
1800
CG2
ILE
A
242
−50.101
2.139
11.230
1.00
29.36
C

ATOM
1801
C
ILE
A
242
−48.728
1.261
8.717
1.00
32.52
C

ATOM
1802
O
ILE
A
242
−47.753
2.010
8.722
1.00
28.43
O

ATOM
1803
N
ILE
A
243
−49.604
1.213
7.695
1.00
31.49
N

ATOM
1804
CA
ILE
A
243
−49.406
2.036
6.505
1.00
28.40
C

ATOM
1805
CB
ILE
A
243
−50.242
1.517
5.258
1.00
28.60
C

ATOM
1806
CG1
ILE
A
243
−51.763
1.771
5.458
1.00
33.05
C

ATOM
1807
CD1
ILE
A
243
−52.660
1.415
4.238
1.00
32.32
C

ATOM
1808
CG2
ILE
A
243
−49.965
0.055
5.004
1.00
34.23
C

ATOM
1809
C
ILE
A
243
−49.775
3.483
6.792
1.00
30.77
C

ATOM
1810
O
ILE
A
243
−50.462
3.795
7.795
1.00
27.66
O

ATOM
1811
N
SER
A
244
−49.341
4.363
5.891
1.00
28.68
N

ATOM
1812
CA
SER
A
244
−49.630
5.780
5.963
1.00
31.99
C

ATOM
1813
CB
SER
A
244
−49.112
6.497
4.704
1.00
26.52
C

ATOM
1814
OG
SER
A
244
−49.306
7.889
4.845
1.00
37.69
O

ATOM
1815
C
SER
A
244
−51.134
6.017
6.064
1.00
33.67
C

ATOM
1816
O
SER
A
244
−51.928
5.429
5.298
1.00
30.41
O

ATOM
1817
N
GLY
A
245
−51.537
6.853
7.013
1.00
30.05
N

ATOM
1818
CA
GLY
A
245
−52.955
7.234
7.084
1.00
27.99
C

ATOM
1819
C
GLY
A
245
−53.821
6.214
7.797
1.00
32.85
C

ATOM
1820
O
GLY
A
245
−55.018
6.162
7.557
1.00
30.79
O

ATOM
1821
N
THR
A
246
−53.229
5.429
8.710
1.00
33.33
N

ATOM
1822
CA
THR
A
246
−53.982
4.465
9.535
1.00
28.36
C

ATOM
1823
CB
THR
A
246
−53.912
3.024
8.999
1.00
32.63
C

ATOM
1824
OG1
THR
A
246
−52.544
2.557
8.991
1.00
28.73
O

ATOM
1825
CG2
THR
A
246
−54.488
2.925
7.564
1.00
28.25
C

ATOM
1826
C
THR
A
246
−53.448
4.490
10.951
1.00
29.99
C

ATOM
1827
O
CYS
A
246
−52.366
5.053
11.214
1.00
30.29
O

ATOM
1828
N
CYS
A
247
−54.232
3.927
11.869
1.00
29.87
N

ATOM
1829
CA
CYS
A
247
−53.822
3.695
13.241
1.00
29.70
C

ATOM
1830
CB
CYS
A
247
−54.740
4.437
14.172
1.00
30.31
C

ATOM
1831
SG
CYS
A
247
−54.713
6.227
13.962
1.00
36.59
S

ATOM
1832
C
CYS
A
247
−54.023
2.210
13.497
1.00
32.77
C

ATOM
1833
O
CYS
A
247
−54.795
1.547
12.787
1.00
34.00
O

ATOM
1834
N
ALA
A
248
−53.374
1.712
14.541
1.00
32.37
N

ATOM
1835
CA
ALA
A
248
−53.646
0.370
15.035
1.00
31.36
C

ATOM
1836
CB
ALA
A
248
−52.742
−0.657
14.362
1.00
34.69
C

ATOM
1837
C
ALA
A
248
−53.504
0.304
16.539
1.00
34.95
C

ATOM
1838
O
ALA
A
248
−52.898
1.176
17.147
1.00
33.98
C

ATOM
1839
N
SER
A
249
−54.032
−0.775
17.110
1.00
33.68
N

ATOM
1840
CA
SER
A
249
−54.201
−0.944
18.548
1.00
33.56
C

ATOM
1841
CB
SER
A
249
−55.691
−0.921
18.875
1.00
32.70
C

ATOM
1842
OG
SER
A
249
−56.134
0.421
18.828
1.00
37.50
O

ATOM
1843
C
SER
A
249
−53.657
−2.277
18.951
1.00
33.34
C

ATOM
1844
O
SER
A
249
−53.645
−3.243
18.149
1.00
29.97
O

ATOM
1845
N
TRP
A
250
−53.138
−2.315
20.175
1.00
32.96
N

ATOM
1846
CA
TRP
A
250
−52.848
−3.571
20.829
1.00
32.52
C

ATOM
1847
CB
TRP
A
250
−51.414
−3.631
21.344
1.00
33.65
C

ATOM
1848
CG
TRP
A
250
−50.323
−3.782
20.297
1.00
31.27
C

ATOM
1849
CD1
TRP
A
250
−50.460
−3.995
18.930
1.00
33.69
C

ATOM
1850
NE1
TRP
A
250
−49.217
−4.097
18.350
1.00
34.35
N

ATOM
1851
CE2
TRP
A
250
−48.263
−3.961
19.336
1.00
37.33
C

ATOM
1852
CD2
TRP
A
250
−48.935
−3.772
20.565
1.00
32.66
C

ATOM
1853
CE3
TRP
A
250
−48.170
−3.505
21.742
1.00
32.72
C

ATOM
1854
CZ3
TRP
A
250
−46.783
−3.617
21.653
1.00
26.81
C

ATOM
1855
CH2
TRP
A
250
−46.138
−3.819
20.395
1.00
25.30
C

ATOM
1856
CZ2
TRP
A
250
−46.858
−4.001
19.249
1.00
24.26
C

ATOM
1857
C
TRP
A
250
−53.785
−3.575
22.007
1.00
34.51
C

ATOM
1858
O
TRP
A
250
−53.999
−2.548
22.648
1.00
33.56
O

ATOM
1859
N
ARG
A
251
−54.360
−4.731
22.280
1.00
34.20
N

ATOM
1860
CA
ARG
A
251
−55.339
−4.849
23.328
1.00
37.37
C

ATOM
1861
CB
ARG
A
251
−56.748
−4.945
22.712
1.00
37.28
C

ATOM
1862
CG
ARG
A
251
−57.204
−3.085
22.023
1.00
36.26
C

ATOM
1863
CD
ARG
A
251
−57.465
−2.626
23.046
1.00
36.64
C

ATOM
1864
NE
ARG
A
251
−57.922
−1.386
22.439
1.00
29.54
N

ATOM
1865
CZ
ARG
A
251
−57.130
−0.355
22.177
1.00
38.63
C

ATOM
1866
NH1
ARG
A
251
−55.843
−0.428
22.462
1.00
31.08
N

ATOM
1867
NH2
ARG
A
251
−57.631
0.758
21.661
1.00
32.11
N

ATOM
1868
C
ARG
A
251
−54.991
−6.114
24.052
1.00
40.13
C

ATOM
1869
O
ARG
A
251
−55.280
−7.198
23.558
1.00
42.07
O

ATOM
1870
N
GLY
A
252
−54.305
−5.975
25.177
1.00
41.36
N

ATOM
1871
CA
GLY
A
252
−53.831
−7.143
25.937
1.00
45.58
C

ATOM
1872
C
GLY
A
252
−52.805
−7.981
25.195
1.00
44.69
C

ATOM
1873
O
GLY
A
252
−52.737
−9.189
25.373
1.00
45.64
O

ATOM
1874
N
LYS
A
253
−52.012
−7.335
24.348
1.00
44.30
N

ATOM
1875
CA
LYS
A
253
−50.830
−7.969
23.774
1.00
43.70
C

ATOM
1876
CB
LYS
A
253
−50.270
−7.100
22.033
1.00
43.88
C

ATOM
1877
CG
LYS
A
253
−48.837
−7.385
22.182
1.00
48.80
C

ATOM
1878
CD
LYS
A
253
−48.761
−8.386
21.049
1.00
47.43
C

ATOM
1879
CE
LYS
A
253
−49.023
−7.760
19.708
1.00
45.56
C

ATOM
1880
NZ
LYS
A
253
−48.710
−8.710
18.598
1.00
55.78
N

ATOM
1881
C
LYS
A
253
−49.829
−8.111
24.914
1.00
43.27
C

ATOM
1882
O
LYS
A
253
−49.589
−7.161
25.666
1.00
42.93
O

ATOM
1883
N
SER
A
254
−49.229
−9.281
25.041
1.00
42.68
N

ATOM
1884
CA
SER
A
254
−48.445
−9.566
26.218
1.00
43.27
C

ATOM
1885
CB
SER
A
254
−49.146
−10.634
27.073
1.00
44.68
C

ATOM
1886
CG
SER
A
254
−49.659
−11.673
26.248
1.00
52.74
O

ATOM
1887
C
SER
A
254
−47.012
−9.965
25.922
1.00
41.89
C

ATOM
1888
O
SER
A
254
−46.727
−10.524
24.878
1.00
45.57
C

ATOM
1889
N
LEU
A
255
−46.126
−9.671
26.867
1.00
42.48
N

ATOM
1890
CA
LEU
A
255
−44.739
−10.102
26.839
1.00
40.39
C

ATOM
1891
CB
LEU
A
255
−43.802
−8.893
26.870
1.00
39.62
C

ATOM
1892
CG
LEU
A
255
−43.418
−8.395
25.509
1.00
40.82
C

ATOM
1893
CD1
LEU
A
255
−42.567
−7.190
25.650
1.00
31.20
C

ATOM
1894
CD2
LEU
A
255
−42.663
−9.522
24.931
1.00
45.76
C

ATOM
1895
C
LEU
A
255
−44.480
−10.876
28.093
1.00
39.75
C

ATOM
1896
O
LEU
A
255
−44.811
−10.407
29.163
1.00
41.99
O

ATOM
1897
N
ARG
A
256
−43.830
−12.027
27.955
1.00
41.20
N

ATOM
1898
CA
ARG
A
256
−43.451
−12.882
29.075
1.00
42.50
C

ATOM
1899
CB
ARG
A
256
−43.163
−14.311
28.542
1.00
44.00
C

ATOM
1900
CG
ARG
A
256
−42.667
−15.324
29.541
1.00
45.01
C

ATOM
1901
CD
ARG
A
256
−43.740
−15.763
30.541
1.00
49.82
C

ATOM
1902
NE
ARG
A
256
−44.721
−16.680
29.964
1.00
58.36
N

ATOM
1903
CZ
ARG
A
256
−44.551
−17.995
29.828
1.00
59.99
C

ATOM
1904
NH1
ARG
A
256
−43.431
−18.585
30.224
1.00
62.82
N

ATOM
1905
NH2
ARG
A
256
−45.512
−18.730
29.289
1.00
66.80
N

ATOM
1906
C
ARG
A
256
−42.254
−12.309
29.819
1.00
42.87
C

ATOM
1907
O
ARG
A
256
−41.256
−11.887
29.209
1.00
41.41
O

ATOM
1908
N
VAL
A
257
−42.353
−12.274
31.142
1.00
41.79
N

ATOM
1909
CA
VAL
A
257
−41.219
−11.897
31.946
1.00
43.71
C

ATOM
1910
CB
VAL
A
257
−41.608
−11.312
33.323
1.00
44.71
C

ATOM
1911
CG1
VAL
A
257
−40.345
−10.893
34.044
1.00
42.42
C

ATOM
1912
CG2
VAL
A
257
−42.533
−10.124
33.144
1.00
41.86
C

ATOM
1913
C
VAL
A
257
−40.342
−13.109
32.153
1.00
47.64
C

ATOM
1914
O
VAL
A
257
−40.655
−14.003
32.934
1.00
49.91
O

ATOM
1915
N
GLN
A
258
−39.221
−13.141
31.450
1.00
51.14
N

ATOM
1916
CA
GLN
A
258
−38.320
−14.281
31.543
1.00
52.21
C

ATOM
1917
CB
GLN
A
258
−37.484
−14.367
30.284
1.00
52.41
C

ATOM
1918
CG
GLN
A
258
−36.340
−14.663
29.054
1.00
48.71
C

ATOM
1919
CD
GLN
A
258
−37.534
−14.696
27.790
1.00
47.38
C

ATOM
1920
OE1
GLN
A
258
−36.603
−13.910
27.607
1.00
56.66
0

ATOM
1921
NE2
GLN
A
258
−37.874
−15.617
26.908
1.00
56.98
N

ATOM
1922
C
GLN
A
258
−37.444
−14.227
32.794
1.00
56.46
C

ATOM
1923
O
GLN
A
258
−37.115
−13.142
33.314
1.00
54.71
O

ATOM
1924
N
LYS
A
259
−37.101
−15.425
33.257
1.00
60.21
N

ATOM
1925
CA
LYS
A
259
−36.186
−15.642
34.381
1.00
62.09
C

ATOM
1926
CB
LYS
A
259
−36.379
−17.057
34.919
1.00
61.97
C

ATOM
1927
CG
LYS
A
259
−37.800
−17.359
35.408
1.00
66.19
C

ATOM
1928
CD
LYS
A
259
−38.114
−18.854
35.355
1.00
71.63
C

ATOM
1929
CE
LYS
A
259
−37.194
−19.674
35.262
1.00
77.87
C

ATOM
1930
NZ
LYS
A
259
−37.390
−21.141
36.056
1.00
75.68
N

ATOM
1931
C
LYS
A
259
−34.771
−15.483
33.860
1.00
64.32
C

ATOM
1932
O
LYS
A
259
−34.369
−16.181
32.929
1.00
64.07
O

ATOM
1933
N
ILE
A
260
−34.004
−14.571
34.449
1.00
68.17
N

ATOM
1934
CA
ILE
A
260
−32.637
−14.334
33.957
1.00
69.45
C

ATOM
1935
CB
ILE
A
260
−32.197
−12.848
34.125
1.00
71.02
C

ATOM
1936
CG1
ILE
A
260
−31.517
−12.361
32.842
1.00
70.85
C

ATOM
1937
CD1
ILE
A
260
−31.782
−10.928
32.546
1.00
62.10
C

ATOM
1938
CG2
ILE
A
260
−31.332
−12.641
35.400
1.00
69.34
C

ATOM
1939
C
ILE
A
260
−31.624
−15.311
34.562
1.00
68.85
C

ATOM
1940
O
ILE
A
260
−31.846
−16.527
34.563
1.00
67.35
O

ATOM
1941
N
ASN
A
268
−20.557
−10.948
40.812
1.00
58.90
N

ATOM
1942
CA
ASN
A
268
−20.145
−9.562
40.558
1.00
61.80
C

ATOM
1943
CB
ASN
A
268
−18.871
−9.508
39.716
1.00
59.44
C

ATOM
1944
CG
ASN
A
268
−17.620
−9.183
40.553
1.00
70.38
C

ATOM
1945
OD1
ASN
A
268
−16.507
−9.094
40.011
1.00
67.15
O

ATOM
1946
ND2
ASN
A
268
−17.803
−8.994
41.874
1.00
62.41
N

ATOM
1947
C
ASN
A
268
−21.194
−8.596
39.956
1.00
61.49
C

ATOM
1948
O
ASN
A
268
20.860
7.442
39.617
1.00
60.36
O

ATOM
1949
N
ILE
A
269
−22.444
−9.029
39.857
1.00
62.11
N

ATOM
1950
CA
ILE
A
269
−23.451
−8.041
39.454
1.00
63.15
C

ATOM
1951
CB
ILE
A
269
−24.541
−8.589
38.495
1.00
63.13
C

ATOM
1952
CG1
ILE
A
269
−25.553
−9.463
39.225
1.00
63.92
C

ATOM
1953
OD1
ILE
A
269
−26.985
−9.144
38.803
1.00
51.18
C

ATOM
1954
CG2
ILE
A
269
−23.931
−9.326
37.297
1.00
58.09
C

ATOM
1955
C
ILE
A
269
−24.051
−7.360
40.685
1.00
61.43
C

ATOM
1956
O
ILE
A
269
−24.470
−8.039
41.635
1.00
65.16
O

ATOM
1957
N
LEU
A
270
−24.060
−6.026
40.689
1.00
58.33
N

ATOM
1958
CA
SER
A
270
−24.774
−5.246
41.730
1.00
53.63
C

ATOM
1959
CB
SER
A
270
−24.417
−3.761
41.594
1.00
53.39
C

ATOM
1960
CG
SER
A
270
−22.966
−3.330
41.874
1.00
54.46
C

ATOM
1961
CD1
SER
A
270
−22.525
−2.264
40.980
1.00
49.15
C

ATOM
1962
CD2
SER
A
270
−22.795
−2.838
43.299
1.00
47.31
C

ATOM
1963
C
SER
A
270
−26.287
−5.410
41.585
1.00
53.70
C

ATOM
1964
O
SER
A
270
−27.013
−5.997
42.455
1.00
48.46
O

ATOM
1965
N
SER
A
271
−26.766
−4.893
40.451
1.00
50.32
N

ATOM
1966
CA
SER
A
271
−28.197
−4.840
40.203
1.00
50.48
C

ATOM
1967
CB
SER
A
271
−28.751
−3.534
40.758
1.00
49.09
C

ATOM
1968
CG
SER
A
271
−28.035
−2.318
40.246
1.00
48.83
C

ATOM
1969
CD
SER
A
271
−28.684
−1.127
40.848
1.00
48.09
C

ATOM
1970
NE
SER
A
271
−28.326
0.087
40.140
1.00
44.38
N

ATOM
1971
CZ
SER
A
271
−27.211
0.774
40.336
1.00
52.70
C

ATOM
1972
NH1
SER
A
271
−26.304
0.353
41.218
1.00
53.10
N

ATOM
1973
NH2
SER
A
271
−27.003
1.885
39.033
1.00
48.80
N

ATOM
1974
C
SER
A
271
−28.531
−4.967
38.711
1.00
48.66
C

ATOM
1975
O
SER
A
271
−27.709
−4.645
37.849
1.00
47.72
O

ATOM
1976
N
SER
A
272
−29.719
−5.495
38.441
1.00
50.63
N

ATOM
1977
CA
SER
A
272
−30.309
−5.469
37.104
1.00
52.26
C

ATOM
1978
CB
SER
A
272
−30.836
−6.844
36.660
1.00
52.69
C

ATOM
1979
CG1
SER
A
272
−31.227
−6.826
35.173
1.00
53.36
C

ATOM
1980
CG2
SER
A
272
−29.815
−7.913
36.888
1.00
55.21
C

ATOM
1981
C
SER
A
272
−31.486
−4.513
37.152
1.00
52.93
C

ATOM
1982
O
SER
A
272
−32.311
−4.582
38.069
1.00
55.12
O

ATOM
1983
N
SER
A
273
−31.564
−3.599
36.208
1.00
52.32
N

ATOM
1984
CA
SER
A
273
32.748
2.776
36.122
1.00
50.63
C

ATOM
1985
CB
SER
A
273
−32.460
−1.308
36.404
1.00
54.10
C

ATOM
1986
CG
SER
A
273
−31.343
−0.694
35.603
1.00
56.12
C

ATOM
1987
CD
SER
A
273
−30.933
0.676
36.151
1.00
63.29
C

ATOM
1988
OE1
SER
A
273
−30.872
1.619
35.325
1.00
69.24
O

ATOM
1989
OE2
SER
A
273
−30.684
0.801
37.390
1.00
57.27
O

ATOM
1990
C
SER
A
273
−33.441
−2.996
34.794
1.00
45.95
C

ATOM
1991
O
SER
A
273
−32.797
−3.126
33.741
1.00
41.02
O

ATOM
1992
N
SER
A
274
−34.760
−3.077
34.871
1.00
45.23
N

ATOM
1993
CA
SER
A
274
−35.585
−3.470
33.745
1.00
40.25
C

ATOM
1994
CB
SER
A
274
−36.516
−4.574
34.1863
1.00
41.42
C

ATOM
1995
CG
SER
A
274
−35.814
−5.822
34.635
1.00
36.03
C

ATOM
1996
CD1
SER
A
274
−35.542
−5.860
33.735
1.00
40.54
C

ATOM
1997
CE1
SER
A
274
−34.873
−8.036
34.170
1.00
38.96
C

ATOM
1998
CZ
SER
A
274
−34.509
−8.163
35.514
1.00
50.23
C

ATOM
1999
OH
SER
A
274
−33.881
−9.310
35.953
1.00
52.37
O

ATOM
2000
CE2
SER
A
274
−34.777
−7.142
36.412
1.00
40.87
C

ATOM
2001
CD2
SER
A
274
−35.437
−5.980
35.972
1.00
37.00
C

ATOM
2002
C
SER
A
274
−36.437
−2.336
33.216
1.00
39.63
C

ATOM
2003
O
SER
A
274
−36.730
−1.372
33.928
1.00
35.87
O

ATOM
2004
N
SER
A
275
−36.835
−2.476
31.951
1.00
36.38
N

ATOM
2005
CA
SER
A
275
−37.712
−1.536
31.308
1.00
34.72
C

ATOM
2006
CB
SER
A
275
−36.896
−0.456
30.613
1.00
37.54
C

ATOM
2007
OG
SER
A
275
−36.638
0.625
31.499
1.00
37.95
O

ATOM
2008
C
SER
A
275
−38.491
−2.308
30.283
1.00
30.66
C

ATOM
2009
O
SER
A
275
−37.993
−3.270
29.706
1.00
30.79
O

ATOM
2010
N
SER
A
276
−39.737
−1.900
30.112
1.00
33.10
N

ATOM
2011
CA
SER
A
276
−40.512
−2.209
28.960
1.00
31.63
C

ATOM
2012
CB
SER
A
276
−41.993
−2.125
29.343
1.00
27.98
C

ATOM
2013
CG
SER
A
276
−42.988
−2.540
28.262
1.00
31.93
C

ATOM
2014
CD1
LEU
A
276
−42.659
−3.805
27.508
1.00
31.84
C

ATOM
2015
CD2
LEU
A
276
−44.375
−2.664
28.910
1.00
30.44
C

ATOM
2016
C
LEU
A
276
−40.259
−1.146
27.913
1.00
32.75
C

ATOM
2017
O
LEU
A
276
−40.592
0.020
28.110
1.00
28.76
O

ATOM
2018
N
LEU
A
277
−39.746
−1.529
26.749
1.00
27.18
N

ATOM
2019
CA
LEU
A
277
−39.699
−0.551
25.697
1.00
32.86
C

ATOM
2020
CB
LEU
A
277
−38.392
−0.689
24.909
1.00
33.33
C

ATOM
2021
CG
LEU
A
277
−37.096
−0.560
25.693
1.00
39.77
C

ATOM
2022
CD1
LEU
A
277
−35.931
−0.613
24.740
1.00
44.75
C

ATOM
2023
CD2
LEU
A
277
−37.043
0.673
26.539
1.00
38.03
C

ATOM
2024
C
LEU
A
277
−40.836
−0.783
24.733
1.00
32.62
C

ATOM
2025
O
LEU
A
277
−41.014
−1.913
24.232
1.00
31.95
O

ATOM
2026
N
ILE
A
278
−41.527
0.294
24.392
1.00
32.59
N

ATOM
2027
CA
ILE
A
278
−42.595
0.263
23.383
1.00
33.09
C

ATOM
2028
CB
ILE
A
278
−43.994
0.560
23.982
1.00
31.86
C

ATOM
2029
CG1
ILE
A
278
−44.336
−0.490
25.039
1.00
36.21
C

ATOM
2030
CD1
ILE
A
278
−45.227
0.010
26.165
1.00
41.10
C

ATOM
2031
CG2
ILE
A
278
−45.086
0.481
22.883
1.00
32.86
C

ATOM
2032
C
ILE
A
278
−42.247
1.309
22.358
1.00
34.26
C

ATOM
2033
O
ILE
A
278
−42.166
2.486
22.700
1.00
34.88
C

ATOM
2034
N
TYR
A
279
−42.002
0.890
21.126
1.00
31.22
N

ATOM
2035
CA
TYR
A
279
−41.494
1.838
20.169
1.00
33.54
C

ATOM
2036
CB
TYR
A
279
−39.946
1.848
20.177
1.00
33.14
C

ATOM
2037
CG
TYR
A
279
−39.259
0.528
19.914
1.00
32.62
C

ATOM
2038
CD1
TYR
A
279
−39.164
−0.459
20.905
1.00
36.25
C

ATOM
2039
CE1
TYR
A
279
−38.522
−1.671
20.654
1.00
29.08
C

ATOM
2040
CZ
TYR
A
279
−37.921
−1.861
19.426
1.00
37.85
C

ATOM
2041
OH
TYR
A
279
−37.266
−3.025
19.120
1.00
38.32
C

ATOM
2042
CE2
TYR
A
279
−37.088
−0.802
18.443
1.00
43.44
C

ATOM
2043
CD2
TYR
A
279
−38.655
0.295
18.705
1.00
33.76
C

ATOM
2044
C
TYR
A
279
−42.011
1.584
18.789
1.00
32.72
C

ATOM
2045
O
TYR
A
279
−42.583
0.521
18.507
1.00
27.72
O

ATOM
2046
N
VAL
A
280
−41.770
2.557
17.923
1.00
32.35
N

ATOM
2047
CA
VAL
A
280
−42.218
2.487
18.542
1.00
28.68
C

ATOM
2048
CB
VAL
A
280
−43.331
3.528
16.208
1.00
27.03
C

ATOM
2049
CG1
VAL
A
280
−43.739
3.400
14.738
1.00
25.57
C

ATOM
2050
CG2
VAL
A
280
−44.583
3.331
17.071
1.00
31.19
C

ATOM
2051
C
VAL
A
280
−41.015
2.725
15.682
1.00
28.06
C

ATOM
2052
O
VAL
A
280
−40.354
3.757
15.770
1.00
30.94
O

ATOM
2053
N
SER
A
281
−40.677
1.735
14.882
1.00
27.78
N

ATOM
2054
CA
SER
A
281
−39.506
1.886
13.930
1.00
29.69
C

ATOM
2055
CB
SER
A
281
−39.052
0.487
13.624
1.00
32.60
C

ATOM
2056
OG
SER
A
281
−38.298
0.478
12.429
1.00
45.11
O

ATOM
2057
C
SER
A
281
−40.111
2.658
12.693
1.00
32.31
C

ATOM
2058
O
SER
A
281
−41.137
2.313
12.097
1.00
29.51
O

ATOM
2059
N
VAL
A
282
−39.393
3.728
12.337
1.00
32.67
N

ATOM
2060
CA
VAL
A
282
−39.778
4.629
11.256
1.00
34.74
C

ATOM
2061
CB
VAL
A
282
−39.994
6.099
11.773
1.00
30.93
C

ATOM
2062
CG1
VAL
A
282
−40.424
7.002
10.625
1.00
35.02
C

ATOM
2063
CG2
VAL
A
282
−41.014
6.124
12.883
1.00
27.90
C

ATOM
2064
C
VAL
A
282
−38.637
4.625
10.246
1.00
36.36
C

ATOM
2065
O
VAL
A
282
−37.567
5.160
10.580
1.00
36.22
O

ATOM
2066
N
PRO
A
283
−38.820
3.956
9.073
1.00
36.37
N

ATOM
2067
CA
PRO
A
283
−37.757
3.840
8.063
1.00
40.51
C

ATOM
2068
CB
PRO
A
283
−38.441
3.128
6.882
1.00
38.03
C

ATOM
2069
CG
PRO
A
283
−39.527
2.355
7.514
1.00
41.22
C

ATOM
2070
CG
PRO
A
283
−40.038
3.245
8.626
1.00
34.96
C

ATOM
2071
C
PRO
A
283
−37.274
5.206
7.604
1.00
42.96
C

ATOM
2072
O
PRO
A
283
−38.102
6.088
7.341
1.00
39.419
0

ATOM
2073
N
GLY
A
284
−35.944
5.361
7.532
1.00
45.44
N

ATOM
2074
CA
GLY
A
284
−35.304
6.638
7.209
1.00
45.37
C

ATOM
2075
C
GLY
A
284
−35.218
7.635
8.350
1.00
47.47
C

ATOM
2076
O
GLY
A
284
−34.572
8.667
8.194
1.00
52.08
0

ATOM
2077
N
SER
A
285
−35.867
7.350
9.492
1.00
45.01
N

ATOM
2078
CA
SER
A
285
−35.822
0.225
10.665
1.00
42.70
C

ATOM
2079
CB
SER
A
285
−37.138
8.984
10.876
1.00
43.57
C

ATOM
2080
OG
SER
A
285
−37.557
9.707
9.713
1.00
59.75
O

ATOM
2081
C
SER
A
285
−35.470
7.451
11.951
1.00
40.44
C

ATOM
2082
O
SER
A
285
−35.257
6.241
11.925
1.00
40.37
O

ATOM
2083
N
LYS
A
286
−35.389
8.169
13.061
1.00
38.32
N

ATOM
2084
CA
LYS
A
286
−35.139
7.547
14.330
1.00
38.86
C

ATOM
2085
CB
LYS
A
286
−34.464
8.552
15.267
1.00
42.97
C

ATOM
2086
CG
LYS
A
286
−33.013
8.833
14.879
1.00
46.65
C

ATOM
2087
CD
LYS
A
286
−32.198
9.140
16.114
1.00
53.59
C

ATOM
2088
CE
LYS
A
286
−31.915
10.611
16.259
1.00
58.02
C

ATOM
2089
NZ
LYS
A
286
33.153
11.424
16.331
1.00
70.69
N

ATOM
2090
C
LYS
A
286
−36.435
7.007
14.924
1.00
38.71
C

ATOM
2091
O
LYS
A
286
−37.521
7.518
14.599
1.00
38.91
O

ATOM
2092
N
LYS
A
287
−36.332
5.977
15.780
1.00
36.60
N

ATOM
2093
CA
LYS
A
287
−37.507
5.361
16.426
1.00
34.35
C

ATOM
2094
CB
LYS
A
287
−37.092
4.169
17.301
1.00
29.63
C

ATOM
2095
CG
LYS
A
287
−36.365
3.015
16.525
1.00
29.198
C

ATOM
2096
CD
LYS
A
287
−36.597
2.202
17.612
1.00
23.66
C

ATOM
2097
CE
LYS
A
287
−34.782
1.009
17.071
1.00
28.22
C

ATOM
2098
NZ
LYS
A
287
−33.712
1.411
16.083
1.00
34.17
N

ATOM
2099
C
LYS
A
287
−38.223
6.375
17.301
1.00
34.59
C

ATOM
2100
O
LYS
A
287
−37.607
7.338
17.776
1.00
38.11
O

ATOM
2101
N
VAL
A
288
−39.513
6.166
17.534
1.00
32.67
N

ATOM
2102
CA
VAL
A
288
−40.247
6.935
18.539
1.00
32.60
C

ATOM
2103
CB
VAL
A
288
−41.689
7.221
18.092
1.00
32.09
C

ATOM
2104
CG1
VAL
A
288
−42.412
8.067
19.125
1.00
38.55
C

ATOM
2105
CG2
VAL
A
288
−41.726
7.881
16.697
1.00
37.25
C

ATOM
2106
C
VAL
A
288
−40.362
5.953
19.710
1.00
34.80
C

ATOM
2107
O
VAL
A
288
−40.993
4.891
19.545
1.00
34.76
O

ATOM
2108
N
ILE
A
289
−39.820
6.315
20.880
1.00
31.94
N

ATOM
2109
CA
ILE
A
289
−39.611
5.322
21.958
1.00
34.04
C

ATOM
2110
CB
ILE
A
289
−38.056
5.077
22.186
1.00
34.57
C

ATOM
2111
CG1
ILE
A
289
−37.393
4.461
20.945
1.00
33.36
C

ATOM
2112
CD1
ILE
A
289
−35.862
4.883
20.757
1.00
34.42
C

ATOM
2113
CG2
ILE
A
289
−37.738
4.223
23.440
1.00
35.75
C

ATOM
2114
C
ILE
A
289
−40.308
5.714
23.252
1.00
36.26
C

ATOM
2115
O
ILE
A
290
−40.146
8.870
23.717
1.00
37.02
O

ATOM
2116
N
LEU
A
290
−41.106
4.783
23.812
1.00
31.28
N

ATOM
2117
CA
LEU
A
290
−41.461
4.813
25.247
1.00
33.64
C

ATOM
2118
CB
LEU
A
290
−42.922
4.425
25.495
1.00
31.12
C

ATOM
2119
CG
LEU
A
290
−43.991
5.260
24.780
1.00
38.23
C

ATOM
2120
CD1
LEU
A
290
−45.411
4.693
25.007
1.00
25.98
C

ATOM
2121
CD2
LEU
A
290
−43.928
5.661
25.236
1.00
36.71
C

ATOM
2122
C
LEU
A
290
−40.554
3.856
26.028
1.00
34.03
C

ATOM
2123
O
LEU
A
290
−40.315
2.723
25.616
1.00
35.11
C

ATOM
2124
N
ASP
A
291
−40.030
4.341
27.134
1.00
33.69
N

ATOM
2125
CA
ASP
A
291
−39.300
3.520
28.083
1.00
33.02
C

ATOM
2126
CB
ASP
A
291
−37.920
4.141
28.308
1.00
36.19
C

ATOM
2127
CG
ASP
A
291
−37.042
3.342
29.284
1.00
36.82
C

ATOM
2128
OD1
ASP
A
291
−37.540
2.806
30.293
1.00
46.80
O

ATOM
2129
OD2
ASP
A
291
−35.834
3.250
29.010
1.00
38.36
O

ATOM
2130
C
ASP
A
291
−40.096
3.527
29.380
1.00
36.15
C

ATOM
2131
O
ASP
A
291
−40.190
4.561
30.030
1.00
33.52
O

ATOM
2132
N
LEU
A
292
−40.686
2.388
29.760
1.00
32.87
N

ATOM
2133
CA
LEU
A
292
−41.409
2.344
31.050
1.00
34.92
C

ATOM
2134
CB
LEU
A
292
−42.826
1.756
30.868
1.00
33.77
C

ATOM
2135
CG
LEU
A
292
−43.805
2.322
29.834
1.00
33.06
C

ATOM
2136
CD1
LEU
A
292
−45.108
1.577
29.966
1.00
37.65
C

ATOM
2137
CD2
LEU
A
292
−44.054
3.810
30.074
1.00
47.98
C

ATOM
2138
C
LEU
A
292
−40.640
1.466
32.059
1.00
35.09
C

ATOM
2139
O
LEU
A
292
−40.573
0.249
31.898
1.00
38.34
O

ATOM
2140
N
PRO
A
293
−40.058
2.077
33.109
1.00
41.81
N

ATOM
2141
CA
PRO
A
293
−39.341
1.276
34.128
1.00
39.12
C

ATOM
2142
CB
PRO
A
293
−38.831
2.324
35.126
1.00
40.28
C

ATOM
2143
CG
PRO
A
293
−38.861
3.629
34.383
1.00
47.77
C

ATOM
2144
CD
PRO
A
293
−40.041
3.523
33.432
1.00
41.19
C

ATOM
2145
C
PRO
A
293
−40.197
0.247
34.863
1.00
40.14
C

ATOM
2146
O
PRO
A
293
−41.347
0.508
35.237
1.00
36.50
O

ATOM
2147
N
LEU
A
294
−39.599
−0.911
35.107
1.00
34.60
N

ATOM
2148
CA
LEU
A
294
−40.268
−2.035
35.735
1.00
33.41
C

ATOM
2149
CB
LEU
A
294
−40.339
−3.221
34.750
1.00
34.72
C

ATOM
2150
CG
LEU
A
294
−41.067
−2.976
33.414
1.00
29.25
C

ATOM
2151
CD1
LEU
A
294
−40.882
−4.219
32.565
1.00
36.01
C

ATOM
2152
CD2
LEU
A
294
−42.532
−2.718
33.671
1.00
37.85
C

ATOM
2153
C
LEU
A
294
−39.437
−2.442
36.932
1.00
37.53
C

ATOM
2154
O
LEU
A
294
−38.256
−2.133
37.022
1.00
35.78
O

ATOM
2155
N
LEU
A
294
−40.090
−3.106
37.865
1.00
38.51
N

ATOM
2156
CA
VAL
A
295
−39.420
−3.770
38.927
1.00
41.12
C

ATOM
2157
CB
VAL
A
295
−39.948
−3.246
40.287
1.00
41.86
C

ATOM
2158
CG1
VAL
A
295
−39.397
−4.087
41.409
1.00
39.99
C

ATOM
2159
CG2
VAL
A
295
−39.565
−1.766
40.455
1.00
44.40
C

ATOM
2160
C
VAL
A
295
−39.755
−5.237
38.759
1.00
42.11
C

ATOM
2161
O
VAL
A
295
−40.298
−5.599
37.731
1.00
41.62
O

ATOM
2162
N
ILE
A
296
−38.738
−60.86
38.632
1.00
42.12
N

ATOM
2163
CA
ILE
A
296
−39.004
−7.496
38.360
1.00
44.43
C

ATOM
2164
CB
ILE
A
296
−38.465
−7.929
36.945
1.00
43.81
C

ATOM
2165
CG1
ILE
A
296
−39.375
−7.367
35.857
1.00
43.46
C

ATOM
2166
CD1
ILE
A
296
−38.940
−6.079
35.379
1.00
55.38
C

ATOM
2167
OG2
ILE
A
296
−38.454
−9.436
36.772
1.00
36.08
C

ATOM
2168
C
ILE
A
296
−38.407
−8.338
39.459
1.00
45.16
C

ATOM
2169
O
ILE
A
296
−37.227
−8.275
39.080
1.00
46.41
O

ATOM
2170
N
GLY
A
297
−39.236
−9.119
40.154
1.00
50.29
N

ATOM
2171
CA
GLY
A
297
−38.782
−9.905
41.292
1.00
53.84
O

ATOM
2172
C
GLY
A
297
−38.869
−11.412
41.135
1.00
56.04
C

ATOM
2173
O
GLY
A
297
−39.666
−11.936
40.352
1.00
56.39
O

ATOM
2174
N
SER
A
298
−38.061
−12.102
41.934
1.00
58.12
N

ATOM
2175
CA
SER
A
298
−37.863
−13.546
41.843
1.00
59.02
C

ATOM
2176
CB
SER
A
298
−36.491
−13.882
42.405
1.00
59.98
C

ATOM
2177
OG
SER
A
298
−35.519
−12.922
41.983
1.00
61.45
O

ATOM
2178
C
SER
A
298
−38.937
−14.398
42.539
1.00
58.45
C

ATOM
2179
O
SER
A
298
−39.765
−13.895
43.297
1.00
55.67
O

TER
2180

SER
A
298

ATOM
2180
N
MET
B
1
−77.136
9.876
4.933
1.00
65.94
N

ATOM
2181
CA
MET
B
1
−76.863
9.605
6.370
1.00
65.76
C

ATOM
2182
CB
MET
B
1
−78.141
9.696
7.225
1.00
66.86
C

ATOM
2183
CG
MET
B
1
−78.383
11.045
7.914
1.00
70.50
C

ATOM
2184
SD
MET
B
1
−79.386
12.186
6.930
1.00
83.85
S

ATOM
2185
CE
MET
B
1
−81.061
11.559
7.188
1.00
82.25
C

ATOM
2186
C
MET
B
1
−76.193
8.253
6.618
1.00
65.44
C

ATOM
2187
O
MET
B
1
−76.439
7.276
5.896
1.00
55.05
O

ATOM
2188
N
VAL
B
2
−75.361
8.228
7.661
1.00
64.33
N

ATOM
2189
CA
VAL
B
2
−74.624
7.040
8.112
1.00
62.08
C

ATOM
2190
CB
VAL
B
2
−73.117
7.352
8.345
1.00
62.50
C

ATOM
2191
CG1
VAL
B
2
−72.379
6.125
8.849
1.00
55.96
C

ATOM
2192
CG2
VAL
B
2
−72.484
7.867
7.072
1.00
51.74
C

ATOM
2193
C
VAL
B
2
−75.223
6.488
9.401
1.00
62.07
C

ATOM
2194
O
VAL
B
2
−75.384
7.204
10.393
1.00
59.72
O

ATOM
2195
N
LYS
B
3
−75.541
5.200
9.353
1.00
62.90
N

ATOM
2196
CA
LYS
B
3
−76.120
4.497
10.495
1.00
66.17
C

ATOM
2197
CB
LYS
B
3
−76.815
3.226
9.992
1.00
65.30
C

ATOM
2198
CG
LYS
B
3
−78.090
2.811
10.724
1.00
68.78
C

ATOM
2199
CD
LYS
B
3
−78.887
1.824
9.449
1.00
76.01
C

ATOM
2200
CE
LYS
B
3
−79.287
2.458
8.495
1.00
76.01
C

ATOM
2201
NZ
LYS
B
3
−79.422
1.466
7.392
1.00
78.86
N

ATOM
2202
C
LYS
B
3
−75.013
4.128
11.487
1.00
66.32
C

ATOM
2203
O
LYS
B
3
−74.213
3.233
11.210
1.00
67.13
O

ATOM
2204
N
GLN
B
4
−74.061
4.825
12.623
1.00
67.16
N

ATOM
2205
CA
GLN
B
4
−74.128
4.391
13.761
1.00
67.29
C

ATOM
2206
CB
GLN
B
4
−74.240
5.353
14.952
1.00
67.26
C

ATOM
2207
CG
GLN
B
4
−73.593
6.726
14.725
1.00
69.66
C

ATOM
2208
CD
GLN
B
4
−74.481
7.915
15.139
1.00
75.14
C

ATOM
2209
OE1
GLN
B
4
−75.516
7.755
15.802
1.00
71.83
O

ATOM
2210
NE2
GLN
B
4
−74.073
9.117
14.733
1.00
69.50
N

ATOM
2211
C
GLN
B
4
−75.577
2.993
14.160
1.00
66.55
C

ATOM
2212
O
GLN
B
4
−75.778
2.729
14.258
1.00
67.79
C

ATOM
2213
N
ILE
B
5
−73.620
2.094
14.358
1.00
66.08
C

ATOM
2214
CA
ILE
B
5
−79.944
0.689
14.577
1.00
67.39
C

ATOM
2215
CB
ILE
B
5
−73.705
−0.173
13.297
1.00
66.31
C

ATOM
2216
CG1
ILE
B
5
−74.845
−0.053
12.312
1.00
65.78
C

ATOM
2217
CD1
ILE
B
5
−74.729
−0.733
11.040
1.00
62.90
C

ATOM
2218
CG2
ILE
B
5
−73.584
−1.680
13.625
1.00
69.24
C

ATOM
2219
C
ILE
B
5
−73.251
0.152
15.828
1.00
67.92
C

ATOM
2220
O
ILE
B
5
−72.024
0.013
15.872
1.00
68.85
O

ATOM
2221
N
GLU
B
6
−74.068
−0.514
16.836
1.00
68.44
N

ATOM
2222
CA
GLU
B
6
−73.591
−0.358
18.197
1.00
68.25
C

ATOM
2223
CB
GLU
B
6
−74.194
0.713
19.110
1.00
67.59
C

ATOM
2224
CG
GLU
B
6
−73.380
2.006
19.103
1.00
71.66
C

ATOM
2225
CD
GLU
B
6
−74.247
3.259
19.063
1.00
77.36
C

ATOM
2226
OE1
GLU
B
6
−75.356
3.258
19.642
1.00
80.15
C

ATOM
2227
OE2
GLU
B
6
−73.803
4.252
18.446
1.00
78.54
C

ATOM
2228
C
GLU
B
6
−73.821
−1.758
18.756
1.00
68.30
C

ATOM
2229
O
GLU
B
6
−73.699
−1.978
19.956
1.00
68.49
O

ATOM
2230
N
SER
B
7
−74.133
−2.703
17.872
1.00
68.34
N

ATOM
2231
CA
SER
B
7
−74.379
−4.091
18.274
1.00
69.57
C

ATOM
2232
CB
SER
B
7
−75.871
−4.342
18.556
1.00
69.04
C

ATOM
2233
CG
SER
B
7
−76.270
−3.789
19.798
1.00
68.63
C

ATOM
2234
C
SER
B
7
−73.866
−5.085
17.235
1.00
69.90
C

ATOM
2235
O
SER
B
7
−73.595
4.724
16.091
1.00
70.23
O

ATOM
2236
N
LYS
B
8
−73.822
−6.343
17.654
1.00
70.39
N

ATOM
2237
CA
LYS
B
8
−73.384
−7.441
18.808
1.00
70.43
C

ATOM
2238
CB
LYS
B
8
−72.897
−8.616
17.670
1.00
70.49
C

ATOM
2239
CG
LYS
B
8
−72.399
−8.206
19.053
1.00
69.22
C

ATOM
2240
CD
LYS
B
8
−72.101
−9.419
19.933
1.00
71.52
C

ATOM
2241
OE
LYS
B
8
−72.608
−9.228
21.365
1.00
69.15
C

ATOM
2242
NZ
LYS
B
8
−72.044
−8.024
22.044
1.00
67.50
N

ATOM
2243
C
LYS
B
8
−74.536
−7.881
15.916
1.00
70.41
C

ATOM
2244
0
LYS
B
8
−74.358
−8.045
14.709
1.00
70.45
O

ATOM
2245
N
THR
B
9
−75.716
−8.063
16.513
1.00
70.84
N

ATOM
2246
CA
THR
B
9
−76.905
−8.480
15.758
1.00
71.03
C

ATOM
2247
CB
THR
B
9
−77.999
−9.152
16.640
1.00
70.60
C

ATOM
2248
OG1
THR
B
9
−78.226
−8.403
17.833
1.00
68.94
C

ATOM
2249
CG2
THR
B
9
−77.589
−10.579
17.007
1.00
68.13
C

ATOM
2250
C
THR
B
9
−77.506
−7.339
14.933
1.00
71.86
C

ATOM
2251
O
THR
B
9
−78.235
−7.595
13.969
1.00
71.60
O

ATOM
2252
N
ALA
B
10
−77.188
−6.093
15.308
1.00
72.80
N

ATOM
2253
CA
ALA
B
10
−77.569
−4.903
14.521
1.00
72.95
C

ATOM
2254
CB
ALA
B
10
−77.567
−3.636
15.391
1.00
72.83
C

ATOM
2255
C
ALA
B
10
−75.679
−4.716
13.286
1.00
73.00
C

ATOM
2256
O
ALA
B
10
−76.956
−3.869
12.435
1.00
74.12
O

ATOM
2257
N
ALA
B
10
−75.610
−5.506
13.198
1.00
72.13
N

ATOM
2258
CA
PHE
B
11
−74.788
−5.567
11.992
1.00
71.47
C

ATOM
2259
CB
PHE
B
11
−73.334
−5.948
12.335
1.00
71.43
C

ATOM
2260
CG
PHE
B
11
−72.378
−5.825
11.173
1.00
69.76
C

ATOM
2261
CD1
PHE
B
11
−72.064
−4.574
10.636
1.00
66.42
C

ATOM
2262
CE1
PHE
B
11
−71.189
−4.463
9.554
1.00
67.45
C

ATOM
2263
CZ
PHE
B
11
−70.611
−5.614
9.005
1.00
63.93
C

ATOM
2264
CE2
PHE
B
11
−70.914
−6.862
9.535
1.00
60.71
C

ATOM
2265
CD2
PHE
B
11
−70.790
−6.962
10.615
1.00
65.56
C

ATOM
2266
C
PHE
B
11
−75.422
−6.534
10.984
1.00
70.42
C

ATOM
2267
O
PHE
B
11
−75.210
−6.425
9.770
1.00
68.81
O

ATOM
2268
N
GLN
B
12
−76.212
−7.468
11.505
1.00
71.52
N

ATOM
2269
CA
GLN
B
12
−77.054
−8.338
10.083
1.00
72.00
C

ATOM
2270
CB
GLN
B
12
−77.383
−9.637
11.425
1.00
72.03
C

ATOM
2271
CG
GLN
B
12
−77.071
−10.902
10.624
1.00
73.12
C

ATOM
2272
CD
GLN
B
12
−75.575
−11.193
10.524
1.00
74.34
C

ATOM
2273
OE1
GLN
B
12
−74.982
−11.102
9.447
1.00
74.59
O

ATOM
2274
NE2
GLN
B
12
−74.961
−11.537
11.654
1.00
75.62
N

ATOM
2275
C
GLN
B
12
−78.330
−7.590
10.273
1.00
72.32
C

ATOM
2276
O
GLN
B
12
−78.831
−7.776
9.159
1.00
71.75
O

ATOM
2277
N
GLN
B
12
−78.843
−6.747
11.174
1.00
73.09
N

ATOM
2278
CA
GLU
B
13
−79.870
−5.755
10.823
1.00
73.91
C

ATOM
2279
CB
GLU
B
13
−80.659
−5.282
12.053
1.00
73.69
C

ATOM
2280
CG
GLU
B
13
−81.795
−6.816
12.492
1.00
70.58
C

ATOM
2281
CD
GLU
B
13
−81.517
−6.917
13.795
1.00
70.60
C

ATOM
2282
OE1
GLU
B
13
−80.587
−6.523
14.529
1.00
70.21
C

ATOM
2283
OE2
GLU
B
13
−82.246
−7.885
14.100
1.00
67.24
C

ATOM
2284
C
GLU
B
13
−79.243
−4.548
10.105
1.00
74.57
C

ATOM
2285
O
GLU
B
13
−78.995
−3.503
10.716
1.00
73.64
O

ATOM
2286
N
ALA
B
14
−78.977
−4.732
8.810
1.00
75.53
N

ATOM
2287
CA
ALA
B
14
−78.527
−3.696
7.857
1.00
75.16
C

ATOM
2288
CB
ALA
B
14
−77.449
−2.813
8.441
1.00
75.00
C

ATOM
2289
C
ALA
B
14
−78.010
−4.424
6.623
1.00
75.53
C

ATOM
2290
O
ALA
B
14
−78.332
−4.061
5.484
1.00
75.56
O

ATOM
2291
N
LEU
B
15
−77.225
−5.472
6.884
1.00
75.70
N

ATOM
2292
CA
LEU
B
15
−76.730
−6.145
5.880
1.00
76.31
C

ATOM
2293
CB
LEU
B
15
−75.777
−7.414
6.556
1.00
76.70
C

ATOM
2294
CG
LEU
B
15
−74.530
−7.966
5.850
1.00
77.61
C

ATOM
2295
CD1
LEU
B
15
−73.343
−7.027
6.030
1.00
67.85
C

ATOM
2296
CD2
LEU
B
15
−74.187
−9.354
6.384
1.00
77.62
C

ATOM
2297
C
LEU
B
15
−77.894
−7.174
5.223
1.00
76.41
C

ATOM
2298
O
LEU
B
15
−77.760
−7.684
4.103
1.00
75.30
O

ATOM
2299
N
ASP
B
16
−79.015
−7.241
5.943
1.00
76.76
N

ATOM
2300
CA
ASP
B
16
−80.260
−7.839
5.455
1.00
77.09
C

ATOM
2301
CB
ASP
B
16
−81.054
−8.456
6.622
1.00
77.14
C

ATOM
2302
CG
ASP
B
16
−81.583
−7.409
7.612
1.00
77.17
C

ATOM
2303
OD1
ASP
B
16
−80.956
−6.336
7.774
1.00
75.87
C

ATOM
2304
OD2
ASP
B
16
−82.635
−7.670
8.235
1.00
78.89
C

ATOM
2305
C
ASP
B
16
−81.129
−6.845
4.665
1.00
76.73
C

ATOM
2306
O
ASP
B
16
−81.666
−7.191
3.611
1.00
76.77
O

ATOM
2307
N
ALA
B
17
−81.247
−5.616
5.101
1.00
76.64
N

ATOM
2308
CA
ALA
B
17
−82.073
−4.558
4.581
1.00
76.63
C

ATOM
2309
CB
ALA
B
17
−82.101
−3.321
5.485
1.00
76.45
C

ATOM
2310
C
ALA
B
17
−81.618
−4.178
3.173
1.00
76.70
C

ATOM
2311
O
ALA
B
17
−82.426
−3.755
2.350
1.00
76.25
O

ATOM
2312
N
ALA
B
18
−83.319
−4.325
2.917
1.00
77.48
N

ATOM
2313
CA
ALA
B
18
−79.740
−4.092
1.593
1.00
77.46
C

ATOM
2314
CB
ALA
B
18
−78.207
−3.973
1.694
1.00
77.60
C

ATOM
2315
C
ALA
B
18
−80.137
−5.223
0.648
1.00
76.62
C

ATOM
2316
O
ALA
B
18
−80.085
−6.395
1.017
1.00
76.55
O

ATOM
2317
N
GLY
B
19
−80.548
−4.865
−0.563
1.00
76.42
N

ATOM
2318
CA
GLY
B
19
−80.084
−5.856
−1.547
1.00
76.13
C

ATOM
2319
C
GLY
B
19
−79.795
−6.344
−2.347
1.00
75.62
C

ATOM
2320
O
GLY
B
19
−78.839
−6.890
−1.782
1.00
75.96
O

ATOM
2321
N
ASP
B
20
−79.857
−6.143
−3.663
1.00
74.43
N

ATOM
2322
CA
ASP
B
20
−78.694
−6.298
−4.540
1.00
73.28
C

ATOM
2323
CB
ASP
B
20
−79.131
−6.296
−6.013
1.00
73.39
C

ATOM
2324
CG
ASP
B
20
−79.788
−7.601
−6.446
1.00
42.88
C

ATOM
2325
OD1
ASP
B
20
−79.875
−8.545
−5.631
1.00
72.80
C

ATOM
2326
OD2
ASP
B
20
−80.212
−7.080
−7.622
1.00
68.15
C

ATOM
2327
C
ASP
B
20
−77.689
−5.156
−4.306
1.00
72.59
C

ATOM
2328
O
ASP
B
20
−76.624
−5.114
−4.934
1.00
72.03
O

ATOM
2329
N
LYS
B
21
−79.034
−4.243
−3.395
1.00
71.13
N

ATOM
2330
CA
LYS
B
21
−77.298
−2.994
−3.235
1.00
70.28
C

ATOM
2331
CB
LYS
B
21
−78.225
−1.831
−2.837
1.00
70.24
C

ATOM
2332
CG
LYS
B
21
−78.964
−1.976
−1.516
1.00
71.60
C

ATOM
2333
CD
LYS
B
21
−79.919
−0.799
−1.343
1.00
76.88
C

ATOM
2334
CE
LYS
B
21
−80.328
−0.603
0.112
1.00
78.80
C

ATOM
2335
NZ
LYS
B
21
−81.912
−0.618
0.263
1.00
78.28
N

ATOM
2336
C
LYS
B
21
−76.050
−3.075
−2.339
1.00
69.59
C

ATOM
2337
O
LYS
B
21
−75.973
−3.860
−1.374
1.00
69.66
O

ATOM
2338
N
LEU
B
22
−75.077
−2.245
−2.701
1.00
66.82
N

ATOM
2339
CA
LEU
B
22
−73.778
−2.199
−2.064
1.00
62.29
C

ATOM
2340
CB
LEU
B
22
−72.794
−1.476
−2.986
1.00
61.94
C

ATOM
2341
CG
LEU
B
22
−71.352
−1.239
−2.544
1.00
53.13
C

ATOM
2342
CD1
LEU
B
22
−70.444
−2.231
−3.242
1.00
48.78
C

ATOM
2343
CD2
LEU
B
22
−70.982
−0.178
−2.895
1.00
46.47
C

ATOM
2344
C
LEU
B
22
−73.847
−1.513
−0.703
1.00
60.87
C

ATOM
2345
O
LEU
B
22
−74.461
−0.443
0.542
1.00
58.39
O

ATOM
2346
N
VAL
B
23
−73.221
−2.155
0.277
1.00
60.20
N

ATOM
2347
CA
VAL
B
23
−73.030
−1.543
1.593
1.00
59.91
C

ATOM
2348
CB
VAL
B
23
−73.604
−2.427
2.754
1.00
59.66
C

ATOM
2349
CG1
VAL
B
23
−73.054
−3.843
2.710
1.00
59.73
C

ATOM
2350
CG2
VAL
B
23
−73.354
−1.787
4.106
1.00
59.98
C

ATOM
2351
C
VAL
B
23
−71.550
−1.174
1.704
1.00
58.50
C

ATOM
2352
O
VAL
B
23
−70.668
−1.831
1.235
1.00
55.59
O

ATOM
2353
N
VAL
B
24
−71.313
−0.102
2.355
1.00
57.41
N

ATOM
2354
CA
VAL
B
24
−69.973
0.338
2.931
1.00
57.68
C

ATOM
2355
CB
VAL
B
24
−69.500
1.561
2.070
1.00
55.87
C

ATOM
2356
CG1
VAL
B
24
−70.445
2.717
2.183
1.00
58.08
C

ATOM
2357
CG2
VAL
B
24
−68.053
1.978
2.407
1.00
57.15
C

ATOM
2358
C
VAL
B
24
−69.878
0.587
4.450
1.00
58.55
C

ATOM
2359
O
VAL
B
24
−70.673
1.332
5.017
1.00
59.52
O

ATOM
2360
N
VAL
B
25
−68.924
−0.772
5.108
1.00
58.72
N

ATOM
2361
CA
VAL
B
25
−68.731
0.078
6.556
1.00
59.01
C

ATOM
2362
CB
VAL
B
25
−68.716
−1.282
7.268
1.00
59.37
C

ATOM
2363
CG1
VAL
B
25
−68.950
−1.106
8.768
1.00
55.50
C

ATOM
2364
CG2
VAL
B
25
−69.756
−2.221
6.663
1.00
60.72
C

ATOM
2365
C
VAL
B
25
−67.412
0.806
6.857
1.00
59.49
C

ATOM
2366
O
VAL
B
25
−66.356
0.416
6.357
1.00
60.60
O

ATOM
2367
N
ASP
B
26
−67.493
1.878
7.638
1.00
58.68
N

ATOM
2368
CA
ASP
B
26
−66.339
2.584
8.165
1.00
59.28
C

ATOM
2369
CB
ASP
B
26
−66.621
4.110
8.223
1.00
56.36
C

ATOM
2370
CG
ASP
B
26
−65.489
4.924
8.859
1.00
59.37
C

ATOM
2371
OD1
ASP
B
26
−64.492
4.339
9.316
1.00
66.74
C

ATOM
2372
OD2
ASP
B
26
−65.596
6.173
8.935
1.00
57.96
C

ATOM
2373
C
ASP
B
26
−66.015
2.029
9.565
1.00
57.78
C

ATOM
2374
O
ASP
B
26
−66.618
2.443
10.551
1.00
57.98
O

ATOM
2375
N
PHE
B
27
−65.069
1.087
9.634
1.00
57.51
N

ATOM
2376
CA
PHE
B
27
−64.490
0.607
10.915
1.00
55.59
C

ATOM
2377
CB
PHE
B
27
−63.802
−0.673
10.796
1.00
57.36
C

ATOM
2378
CG
PHE
B
27
−64.740
−1.796
10.553
1.00
62.63
C

ATOM
2379
CD1
PHE
B
27
−65.310
−2.471
11.620
1.00
66.31
C

ATOM
2380
CE1
PHE
B
27
−66.192
−3.507
11.400
1.00
70.86
C

ATOM
2381
CZ
PHE
B
27
−66.530
−3.868
10.093
1.00
72.58
C

ATOM
2382
CE2
PHE
B
27
−65.968
−3.196
9.023
1.00
70.88
C

ATOM
2383
CD2
PHE
B
27
−65.079
−2.164
9.256
1.00
67.65
C

ATOM
2384
C
PHE
B
27
−63.519
1.716
11.401
1.00
56.15
C

ATOM
2385
C
PHE
B
27
−62.410
1.856
10.878
1.00
57.20
O

ATOM
2386
N
SER
B
28
−63.954
2.449
12.404
1.00
55.00
N

ATOM
2387
CA
SER
B
28
−63.301
3.655
12.844
1.00
53.41
C

ATOM
2388
CB
SER
B
28
−64.281
4.796
12.667
1.00
51.21
C

ATOM
2389
CG
SER
B
28
−63.708
6.000
13.117
1.00
63.55
C

ATOM
2390
C
SER
B
28
−62.980
3.529
14.311
1.00
53.51
C

ATOM
2391
O
SER
B
28
−63.309
2.527
14.926
1.00
56.91
O

ATOM
2392
N
ALA
B
29
−62.329
4.548
14.866
1.00
51.76
N

ATOM
2393
CA
ALA
B
29
−62.090
4.650
16.285
1.00
54.98
C

ATOM
2394
CB
ALA
B
29
−60.808
3.902
16.705
1.00
55.91
C

ATOM
2395
C
ALA
B
29
−61.970
6.134
16.579
1.00
57.32
C

ATOM
2396
O
ALA
B
29
−61.534
6.992
15.727
1.00
58.03
O

ATOM
2397
N
THR
B
30
−62.362
6.489
17.791
1.00
61.45
N

ATOM
2398
CA
THR
B
30
−62.544
7.866
18.200
1.00
63.79
O

ATOM
2399
CB
THR
B
30
−63.504
7.946
19.460
1.00
65.77
C

ATOM
2400
CG1
THR
B
30
−63.834
9.310
19.736
1.00
75.71
C

ATOM
2401
CG2
THR
B
30
−62.899
7.302
20.745
1.00
66.04
C

ATOM
2402
C
THR
B
30
−61.241
8.625
18.445
1.00
61.29
C

ATOM
2403
O
THR
B
30
−61.206
9.841
18.315
1.00
63.53
O

ATOM
2404
N
TRP
B
31
−60.175
7.901
18.794
1.00
60.42
N

ATOM
2405
CA
TRP
B
31
−58.875
8.494
19.134
1.00
55.48
C

ATOM
2406
CB
TRP
B
31
−58.182
7.656
20.233
1.00
58.08
C

ATOM
2407
CG
TRP
B
31
−58.139
6.193
19.878
1.00
48.39
C

ATOM
2408
CD1
TRP
B
31
−59.040
5.248
20.251
1.00
48.78
O

ATOM
2409
NE1
TRP
B
31
−58.711
4.037
19.709
1.00
51.23
N

ATOM
2410
CE2
TRP
B
31
−57.570
4.182
18.958
1.00
46.82
C

ATOM
2411
CD2
TRP
B
31
−57.175
5.529
19.047
1.00
44.17
C

ATOM
2412
CE3
TRP
B
31
−56.034
5.947
18.343
1.00
41.18
C

ATOM
2413
CZ3
TRP
B
31
−55.315
5.006
17.624
1.00
45.20
C

ATOM
2414
CH2
TRP
B
31
−55.732
3.665
17.570
1.00
48.67
C

ATOM
2415
CZ2
TRP
B
31
−56.845
3.237
18.238
1.00
45.01
C

ATOM
2416
C
TRP
B
31
−57.962
8.509
17.907
1.00
54.70
C

ATOM
2417
O
TRP
B
31
−56.923
9.264
17.952
1.00
56.22
O

ATOM
2418
N
CYS
B
32
−58.380
7.999
16.803
1.00
54.15
N

ATOM
2419
CA
CYS
B
32
−57.596
7.880
15.596
1.00
53.88
C

ATOM
2420
CB
CYS
B
32
−58.077
6.636
14.878
1.00
53.14
O

ATOM
2421
SG
CYS
B
32
−57.345
6.336
13.307
1.00
60.44
S

ATOM
2422
C
CYS
B
32
−57.696
9.122
14.677
1.00
55.89
C

ATOM
2423
O
CYS
B
32
−58.755
9.401
14.1218
1.00
52.24
O

ATOM
2424
N
GLY
B
33
−56.595
9.871
14.550
1.00
54.34
N

ATOM
2425
CA
GLY
B
33
−56.514
11.063
13.717
1.00
54.25
C

ATOM
2426
C
GLY
B
33
−56.989
10.832
12.283
1.00
55.00
C

ATOM
2427
O
GLY
B
33
−57.036
11.470
11.851
1.00
57.12
O

ATOM
2428
N
PRO
B
34
−56.341
9.918
11.523
1.00
49.90
N

ATOM
2429
CA
PRO
B
34
−56.891
9.649
10.178
1.00
51.78
C

ATOM
2430
CB
PRO
B
34
−56.004
8.518
9.650
1.00
53.27
C

ATOM
2431
CG
PRO
B
34
−54.724
8.623
10.430
1.00
48.37
C

ATOM
2432
CD
PRO
B
34
−55.107
9.140
11.783
1.00
52.33
C

ATOM
2433
C
PRO
B
34
−58.380
9.235
10.127
1.00
54.14
C

ATOM
2434
O
PRO
B
34
−59.046
9.630
9.203
1.00
54.51
O

ATOM
2435
N
ALA
B
35
−58.906
8.481
11.107
1.00
55.16
N

ATOM
2436
CA
ALA
B
35
−60.345
8.111
11.096
1.00
54.83
C

ATOM
2437
CB
ALA
B
35
−60.644
6.982
12.049
1.00
52.09
C

ATOM
2438
C
ALA
B
35
−61.304
9.284
11.350
1.00
68.51
C

ATOM
2439
O
ALA
B
35
−62.388
9.354
10.741
1.00
60.20
O

ATOM
2440
N
LYS
B
36
−60.919
10.185
12.245
1.00
56.14
N

ATOM
2441
CA
LYS
B
36
−61.603
11.460
12.435
1.00
57.13
C

ATOM
2442
CB
LYS
B
36
−61.024
12.158
13.648
1.00
59.26
C

ATOM
2443
CG
LYS
B
36
−61.328
11.482
14.978
1.00
67.88
C

ATOM
2444
CD
LYS
B
36
−61.050
12.425
16.162
1.00
69.96
C

ATOM
2445
CE
LYS
B
36
−62.215
13.423
16.371
1.00
81.45
O

ATOM
2446
NZ
LYS
B
36
−62.535
13.721
17.814
1.00
78.84
N

ATOM
2447
C
LYS
B
36
−61.531
12.440
11.242
1.00
50.01
C

ATOM
2448
O
LYS
B
36
−62.469
13.209
10.980
1.00
54.61
O

ATOM
2449
N
MET
B
37
−60.400
12.466
10.553
1.00
55.20
N

ATOM
2450
CA
MET
B
37
−60.281
13.267
9.344
1.00
56.71
C

ATOM
2451
CB
MET
B
37
−58.822
13.336
8.876
1.00
57.55
C

ATOM
2452
CG
MET
B
37
−58.598
14.040
7.522
1.00
68.05
C

ATOM
2453
SD
MET
B
37
−58.898
12.990
6.060
1.00
65.29
S

ATOM
2454
CE
MET
B
37
−57.306
12.187
5.890
1.00
66.73
C

ATOM
2455
C
MET
B
37
−61.243
12.744
8.240
1.00
55.63
C

ATOM
2456
O
MET
B
37
−61.882
13.529
7.574
1.00
55.93
O

ATOM
2457
N
ILE
B
38
−61.362
11.431
8.060
1.00
54.10
N

ATOM
2458
CA
ILE
B
38
−62.137
10.903
6.940
1.00
54.83
C

ATOM
2459
CB
ILE
B
38
−61.696
9.460
6.612
1.00
54.80
C

ATOM
2460
CG1
ILE
B
38
−62.105
9.074
5.192
1.00
61.72
C

ATOM
2461
CD1
ILE
B
38
−61.389
9.832
4.164
1.00
55.76
C

ATOM
2462
CG2
ILE
B
38
−62.228
8.468
7.608
1.00
56.29
C

ATOM
2463
C
ILE
B
38
−63.649
11.004
7.217
1.00
55.47
C

ATOM
2464
O
ILE
B
38
−64.488
10.999
6.313
1.00
55.38
O

ATOM
2465
N
LYS
B
39
−63.969
11.117
8.491
1.00
51.91
N

ATOM
2466
CA
LYS
B
39
−65.327
10.999
8.995
1.00
52.56
C

ATOM
2467
CB
LYS
B
39
−65.330
11.262
10.491
1.00
53.41
C

ATOM
2468
CG
LYS
B
39
−66.613
11.068
11.221
1.00
59.42
C

ATOM
2469
CD
LYS
B
39
−66.536
11.816
12.565
1.00
68.26
C

ATOM
2470
CE
LYS
B
39
−66.540
13.354
12.404
1.00
73.39
O

ATOM
2471
NZ
LYS
B
39
−67.872
13.905
11.926
1.00
67.87
N

ATOM
2472
C
LYS
B
39
−66.316
11.892
8.264
1.00
51.93
C

ATOM
2473
O
LYS
B
39
−67.308
11.371
7.771
1.00
53.09
O

ATOM
2474
N
PRO
B
40
−66.058
13.221
8.156
1.00
49.67
N

ATOM
2475
CA
PRO
B
40
−67.090
13.995
7.471
1.00
50.72
C

ATOM
2476
CB
PRO
B
40
−66.550
15.435
7.477
1.00
51.13
C

ATOM
2477
CG
PRO
B
40
−65.361
15.448
8.323
1.00
48.47
C

ATOM
2478
CD
PRO
B
40
−64.919
14.046
8.562
1.00
47.30
C

ATOM
2479
C
PRO
B
40
−67.278
13.567
6.013
1.00
54.09
C

ATOM
2480
O
PRO
B
40
−68.421
13.623
5.497
1.00
53.51
O

ATOM
2481
N
PHE
B
41
−66.174
13.164
5.631
1.00
49.95
N

ATOM
2482
CA
PHE
B
41
−66.160
12.850
3.921
1.00
50.55
C

ATOM
2483
CB
PHE
B
41
−64.729
12.648
3.417
1.00
50.07
C

ATOM
2484
CG
PHE
B
41
−63.885
13.888
3.496
1.00
55.50
C

ATOM
2485
CD1
PHE
B
41
−62.736
13.920
4.300
1.00
63.07
C

ATOM
2486
CD1
PHE
B
41
−61.949
15.078
4.380
1.00
62.78
C

ATOM
2487
CZ
PHE
B
41
−62.310
16.222
3.669
1.00
61.97
C

ATOM
2488
CE2
PHE
B
41
−63.474
16.212
2.863
1.00
59.36
C

ATOM
2489
CD2
PHE
B
41
−64.250
15.045
2.793
1.00
59.63
C

ATOM
2490
C
PHE
B
41
−67.002
11.636
3.655
1.00
50.15
C

ATOM
2491
O
PHE
B
41
−67.742
11.574
2.670
1.00
49.98
O

ATOM
2492
N
PHE
B
42
−66.926
10.698
4.581
1.00
49.30
N

ATOM
2493
CA
PHE
B
42
−67.724
9.491
4.538
1.00
51.33
C

ATOM
2494
CB
PHE
B
42
−66.252
5.576
5.653
1.00
47.38
C

ATOM
2495
CG
PHE
B
42
−67.884
7.225
5.632
1.00
53.81
C

ATOM
2496
CG
PHE
B
42
−67.562
6.311
4.650
1.00
43.57
C

ATOM
2497
CE1
PHE
B
42
−68.119
5.062
4.642
1.00
49.34
C

ATOM
2498
CZ
PHE
B
42
−69.026
4.711
5.612
1.00
49.69
C

ATOM
2499
CE2
PHE
B
42
−69.397
5.613
6.593
1.00
55.31
C

ATOM
2500
CD2
PHE
B
42
−68.799
6.861
6.609
1.00
53.23
C

ATOM
2501
C
PHE
B
42
−69.240
9.796
4.681
1.00
53.77
C

ATOM
2502
O
PHE
B
42
−70.096
9.119
4.079
1.00
52.55
O

ATOM
2503
N
HIS
B
43
−69.559
10.810
5.480
1.00
54.93
N

ATOM
2504
CA
HIS
B
43
−70.941
11.285
5.606
1.00
57.23
C

ATOM
2505
CB
HIS
B
43
−71.083
12.123
6.892
1.00
56.17
C

ATOM
2506
CG
HIS
B
43
−72.462
12.678
7.111
1.00
64.27
O

ATOM
2507
ND1
HIS
B
43
−72.816
13.959
6.740
1.00
65.07
N

ATOM
2508
CE1
HIS
B
43
−74.084
14.167
7.047
1.00
62.50
C

ATOM
2509
NE2
HIS
B
43
−74.562
13.074
7.617
1.00
65.00
C

ATOM
2510
CD2
HIS
B
43
−73.569
12.128
7.674
1.00
60.03
C

ATOM
2511
C
HIS
B
43
−71.425
12.052
4.334
1.00
57.04
C

ATOM
2512
O
HIS
B
43
−72.525
11.802
3.810
1.00
57.41
O

ATOM
2513
N
SER
B
44
−70.620
12.993
3.851
1.00
57.89
N

ATOM
2514
CA
SER
B
44
−70.908
12.655
2.581
1.00
58.73
C

ATOM
2515
CB
SER
B
44
−69.791
14.619
2.214
1.00
59.08
C

ATOM
2516
OG
SER
B
44
−69.725
15.664
3.153
1.00
62.40
C

ATOM
2517
C
SER
B
44
−71.105
12.663
1.433
1.00
59.01
C

ATOM
2518
O
SER
B
44
−71.918
12.917
0.556
1.00
62.70
O

ATOM
2519
N
LEU
B
45
−70.350
11.561
1.412
1.00
56.05
N

ATOM
2520
CA
LEU
B
45
−70.538
10.495
0.409
1.00
55.15
C

ATOM
2521
CB
LEU
B
45
−69.388
9.482
0.433
1.00
55.68
C

ATOM
2522
CG
LEU
B
45
−68.044
9.836
−0.230
1.00
50.95
C

ATOM
2523
CD1
LEU
B
45
−66.911
8.930
0.197
1.00
52.59
C

ATOM
2524
CD2
LEU
B
45
−68.158
9.848
−1.753
1.00
45.10
C

ATOM
2525
C
LEU
B
45
−71.878
9.778
0.571
1.00
57.81
C

ATOM
2526
O
LEU
B
45
−72.470
9.325
−0.412
1.00
57.57
O

ATOM
2527
N
SER
B
46
−72.366
9.693
1.809
1.00
57.56
N

ATOM
2528
CA
SER
B
46
−73.624
9.012
2.080
1.00
56.39
C

ATOM
2529
CB
SER
B
46
−73.779
8.693
3.568
1.00
56.81
C

ATOM
2530
OG
SER
B
46
−73.792
9.878
4.333
1.00
53.03
C

ATOM
2531
C
SER
B
46
−74.832
9.796
1.601
1.00
55.98
C

ATOM
2532
O
SER
B
46
−74.866
9.192
1.271
1.00
55.04
O

ATOM
2533
N
GLU
B
47
−74.710
11.127
1.599
1.00
54.89
N

ATOM
2534
CA
GLU
B
47
−75.749
12.001
1.068
1.00
56.15
C

ATOM
2535
CB
GLU
B
47
−75.538
13.466
1.474
1.00
57.93
C

ATOM
2536
CG
GLU
B
47
−75.075
13.702
2.905
1.00
64.07
C

ATOM
2537
CD
GLU
B
47
−76.182
13.611
3.940
1.00
67.13
C

ATOM
2538
OE1
GLU
B
47
−76.491
14.663
4.541
1.00
71.01
C

ATOM
2539
OE2
GLU
B
47
−76.738
12.505
4.165
1.00
70.04
C

ATOM
2540
C
GLU
B
47
−75.718
11.910
−0.448
1.00
54.94
C

ATOM
2541
O
GLU
B
47
−76.774
11.802
−1.099
1.00
50.25
O

ATOM
2542
N
LYS
B
48
−74.505
11.960
−1.013
1.00
50.68
N

ATOM
2543
CA
LYS
B
48
−74.364
11.906
−2.460
1.00
52.36
C

ATOM
2544
CB
LYS
B
48
−72.928
12.151
−2.935
1.00
48.56
C

ATOM
2545
CG
LYS
B
48
−72.867
12.743
−4.339
1.00
46.19
C

ATOM
2546
CD
LYS
B
48
−71.640
12.340
−5.105
1.00
47.88
C

ATOM
2547
CE
LYS
B
48
−71.529
13.079
−6.428
1.00
41.47
O

ATOM
2548
NZ
LYS
B
48
−72.456
12.571
−7.473
1.00
53.95
N

ATOM
2549
C
LYS
B
48
−74.895
10.592
−3.029
1.00
54.58
C

ATOM
2550
O
LYS
B
48
−75.798
10.585
−3.886
1.00
57.75
O

ATOM
2551
N
TYR
B
49
−74.375
9.491
−2.508
1.00
53.74
N

ATOM
2552
CA
TYR
B
49
−74.646
8.168
−3.058
1.00
55.98
C

ATOM
2553
CB
TYR
B
49
−73.348
7.318
−3.081
1.00
56.33
C

ATOM
2554
CG
TYR
B
49
−72.263
7.851
−4.026
1.00
59.28
C

ATOM
2555
CD1
TYR
B
49
−72.265
7.511
−5.379
1.00
56.67
C

ATOM
2556
CE1
TYR
B
49
−71.287
8.001
−6.256
1.00
61.89
C

ATOM
2557
CZ
TYR
B
49
−70.278
8.839
−5.788
1.00
63.01
C

ATOM
2558
OH
TYR
B
49
−69.310
9.303
−6.675
1.00
52.60
C

ATOM
2559
CE2
TYR
B
49
−70.253
9.199
−4.442
1.00
57.35
C

ATOM
2560
CD2
TYR
B
49
−71.246
8.701
−3.566
1.00
59.15
C

ATOM
2561
C
TYR
B
49
−79.793
7.492
−2.293
1.00
55.11
C

ATOM
2562
O
TYR
B
49
−75.589
6.517
−1.579
1.00
53.87
O

ATOM
2563
N
SER
B
50
−77.011
8.021
−2.467
1.00
56.81
N

ATOM
2564
CA
SER
B
50
−78.208
7.515
−1.760
1.00
57.36
C

ATOM
2565
CB
SER
B
50
−79.378
8.485
−1.936
1.00
57.43
C

ATOM
2566
OG
SER
B
50
−79.769
8.544
−3.299
1.00
57.14
C

ATOM
2567
C
SER
B
50
−78.626
6.082
−2.160
1.00
59.00
C

ATOM
2568
O
SER
B
50
−79.366
5.404
−1.433
1.00
59.70
N

ATOM
2569
N
ASN
B
51
−78.143
5.635
−3.317
1.00
60.79
N

ATOM
2570
CA
ASN
B
51
−78.294
4.252
−3.784
1.00
62.06
C

ATOM
2571
CB
ASN
B
51
−77.968
4.174
−5.288
1.00
64.24
C

ATOM
2572
CG
ASN
B
51
−76.599
4.812
−5.648
1.00
68.96
C

ATOM
2573
OD1
ASN
B
51
−76.233
5.888
−5.148
1.00
59.81
O

ATOM
2574
ND2
ASN
B
51
−75.856
4.147
−6.543
1.00
67.94
N

ATOM
2575
C
ASN
B
51
−77.435
3.240
−3.001
1.00
61.43
C

ATOM
2576
O
ASN
B
51
−77.637
2.024
−3.105
1.00
61.19
O

ATOM
2577
N
VAL
B
52
−76.476
3.752
−2.227
1.00
60.48
N

ATOM
2578
CA
VAL
B
52
−75.559
2.918
−1.427
1.00
59.08
C

ATOM
2579
CB
VAL
B
52
−74.075
3.216
−1.773
1.00
59.13
C

ATOM
2580
CG1
VAL
B
52
−73.095
2.500
−0.801
1.00
59.98
C

ATOM
2581
CG2
VAL
B
52
−73.781
2.830
−3.209
1.00
56.79
C

ATOM
2582
C
VAL
B
52
−75.824
3.109
0.067
1.00
58.02
C

ATOM
2583
O
VAL
B
52
−76.135
4.222
0.512
1.00
55.61
O

ATOM
2584
N
ILE
B
53
−75.712
2.023
0.834
1.00
59.06
N

ATOM
2585
CA
ILE
B
53
−75.948
2.088
2.279
1.00
60.35
C

ATOM
2586
CB
ILE
B
53
−76.903
0.941
2.763
1.00
62.15
C

ATOM
2587
CG1
ILE
B
53
−77.998
1.473
3.709
1.00
69.19
C

ATOM
2588
CD1
ILE
B
53
−79.341
0.706
3.599
1.00
62.15
C

ATOM
2589
CG2
ILE
B
53
−76.173
−0.240
3.352
1.00
56.76
C

ATOM
2590
C
ILE
B
53
−74.622
2.211
3.069
1.00
62.56
C

ATOM
2591
O
ILE
B
53
−73.711
1.377
2.943
1.00
61.03
O

ATOM
2592
N
PHE
B
54
−74.525
3.290
3.843
1.00
62.45
N

ATOM
2593
CA
PHE
B
54
−73.340
3.586
4.638
1.00
64.58
C

ATOM
2594
CB
PHE
B
54
−73.017
5.075
4.557
1.00
63.25
C

ATOM
2595
CG
PHE
B
54
−72.518
5.498
3.227
1.00
68.83
C

ATOM
2596
CD1
PHE
B
54
−73.357
5.440
2.098
1.00
67.13
C

ATOM
2597
CE1
PHE
B
54
−72.892
5.831
0.850
1.00
68.02
C

ATOM
2598
CZ
PHE
B
54
−71.578
6.300
0.718
1.00
67.07
C

ATOM
2599
CE2
PHE
B
54
−70.737
6.361
1.842
1.00
64.34
C

ATOM
2600
CD2
PHE
B
54
−71.212
5.959
3.084
1.00
57.25
C

ATOM
2601
C
PHE
B
54
−73.543
3.179
6.078
1.00
63.06
C

ATOM
2602
O
PHE
B
54
−74.607
3.417
6.640
1.00
64.11
O

ATOM
2603
N
LEU
B
55
−72.515
2.564
6.659
1.00
63.22
N

ATOM
2604
CA
LEU
B
55
−72.515
2.108
8.051
1.00
62.80
C

ATOM
2605
CB
LEU
B
55
−72.686
0.582
8.142
1.00
62.48
C

ATOM
2606
CG
LEU
B
55
−73.862
−0.124
7.454
1.00
62.42
C

ATOM
2607
CD1
LEU
B
55
−73.820
−1.645
7.694
1.00
59.97
C

ATOM
2608
CD2
LEU
B
55
−75.196
0.462
7.891
1.00
57.51
C

ATOM
2609
C
LEU
B
55
−71.198
2.487
8.747
1.00
63.37
C

ATOM
2610
O
LEU
B
55
−70.142
2.505
8.101
1.00
62.04
O

ATOM
2611
N
GLU
B
56
−71.273
2.779
10.048
1.00
63.37
N

ATOM
2612
CA
GLU
B
56
−70.101
3.058
10.872
1.00
63.56
C

ATOM
2613
CB
GLU
B
56
−70.076
4.518
11.350
1.00
63.69
C

ATOM
2614
CG
GLU
B
56
−68.906
4.831
12.805
1.00
67.73
C

ATOM
2615
CD
GLU
B
56
−68.420
6.278
12.250
1.00
69.84
C

ATOM
2616
OE1
GLU
B
56
−69.003
7.097
11.512
1.00
75.90
O

ATOM
2617
OE2
GLU
B
56
−67.440
6.598
12.952
1.00
70.61
O

ATOM
2618
C
GLU
B
56
−70.033
2.100
12.073
1.00
63.88
C

ATOM
2619
O
GLU
B
56
−71.000
1.948
12.814
1.00
62.95
O

ATOM
2620
N
VAL
B
57
−68.879
1.462
12.247
1.00
64.15
N

ATOM
2621
CA
VAL
B
57
−68.591
0.619
13.413
1.00
62.52
C

ATOM
2622
CB
VAL
B
57
−68.354
−0.849
12.995
1.00
62.67
C

ATOM
2623
CG1
VAL
B
57
−67.864
−1.694
14.191
1.00
61.42
C

ATOM
2624
CG2
VAL
B
57
−69.647
−1.439
12.382
1.00
63.80
C

ATOM
2625
C
VAL
B
57
−67.356
−1.147
14.162
1.00
63.82
C

ATOM
2626
O
VAL
B
57
−66.249
1.228
13.606
1.00
61.91
O

ATOM
2627
N
ASP
B
58
−67.548
1.512
15.424
1.00
64.22
N

ATOM
2628
CA
ASP
B
58
−66.442
1.932
16.252
1.00
62.38
C

ATOM
2629
CB
ASP
B
58
−66.914
2.861
17.380
1.00
61.21
C

ATOM
2630
CG
ASP
B
58
−65.777
3.332
18.268
1.00
62.92
C

ATOM
2631
OD1
ASP
B
58
−65.028
2.486
18.792
1.00
69.56
O

ATOM
2632
OD2
ASP
B
58
−65.633
4.557
18.460
1.00
66.92
O

ATOM
2633
C
ASP
B
58
−65.748
0.697
16.818
1.00
62.29
C

ATOM
2634
O
ASP
B
58
−66.299
−0.025
17.661
1.00
60.41
O

ATOM
2635
N
VAL
B
59
−64.522
0.476
16.352
1.00
58.73
N

ATOM
2636
CA
VAL
B
59
−63.778
−0.737
16.677
1.00
56.64
C

ATOM
2637
CB
VAL
B
59
−62.377
−0.753
15.994
1.00
57.33
C

ATOM
2638
CG1
VAL
B
59
−62.510
−0.641
14.476
1.00
54.19
C

ATOM
2639
CG2
VAL
B
59
−61.472
0.316
16.547
1.00
53.05
C

ATOM
2640
C
VAL
B
59
−63.629
−0.997
18.179
1.00
54.13
C

ATOM
2641
O
VAL
B
59
−63.484
−2.148
18.585
1.00
52.98
O

ATOM
2642
N
ASP
B
60
−63.650
0.065
18.988
1.00
53.49
N

ATOM
2643
CA
ASP
B
60
−63.419
−0.054
20.443
1.00
56.58
C

ATOM
2644
CB
ASP
B
60
−62.726
1.191
20.987
1.00
54.67
C

ATOM
2645
CG
ASP
B
60
−61.319
1.345
20.467
1.00
61.90
C

ATOM
2646
OD1
ASP
B
60
−60.950
2.481
20.080
1.00
67.77
O

ATOM
2647
OD2
ASP
B
60
−60.594
0.326
20.431
1.00
49.09
O

ATOM
2648
C
ASP
B
60
−64.702
−0.291
21.246
1.00
58.77
O

ATOM
2649
O
ASP
B
60
−64.674
−0.398
22.464
1.00
58.02
O

ATOM
2650
N
ASP
B
61
−65.830
−0.342
20.562
1.00
61.71
N

ATOM
2651
CA
ASP
B
61
−67.092
−0.516
21.246
1.00
65.81
C

ATOM
2652
CB
ASP
B
61
−68.032
0.654
20.958
1.00
66.59
C

ATOM
2653
CG
ASP
B
61
−67.621
1.924
21.692
1.00
69.89
C

ATOM
2654
OD1
ASP
B
61
−66.694
1.858
22.544
1.00
75.28
O

ATOM
2655
OD2
ASP
B
61
−68.223
2.988
21.411
1.00
72.04
O

ATOM
2656
C
ASP
B
61
−67.669
−1.828
20.783
1.00
67.66
C

ATOM
2657
O
ASP
B
61
−68.110
−2.643
21.598
1.00
69.38
O

ATOM
2658
N
CYS
B
62
−67.623
−2.031
19.471
1.00
66.83
N

ATOM
2659
CA
CYS
B
62
−68.007
−3.288
18.875
1.00
68.21
O

ATOM
2660
CB
CYS
B
62
−68.784
−3.024
17.589
1.00
70.54
C

ATOM
2661
SG
CYS
B
62
−70.146
−1.877
17.748
1.00
74.64
S

ATOM
2662
C
CYS
B
62
−66.781
−4.133
18.570
1.00
68.13
C

ATOM
2663
O
CYS
B
62
−66.658
−4.653
17.465
1.00
67.74
O

ATOM
2664
N
GLN
B
63
−65.885
−4.280
19.551
1.00
69.60
N

ATOM
2665
CA
GLN
B
63
−64.721
−5.173
19.428
1.00
70.93
C

ATOM
2666
CB
GLN
B
63
−63.991
−5.350
20.774
1.00
70.77
C

ATOM
2667
CG
GLN
B
63
−63.381
−4.065
21.351
1.00
74.80
C

ATOM
2668
CD
GLN
B
63
−61.897
−4.198
21.727
1.00
79.35
C

ATOM
2669
OE1
GLN
B
63
−61.490
−5.158
22.387
1.00
76.60
O

ATOM
2670
NE2
GLN
B
63
−61.086
−3.218
21.304
1.00
74.47
N

ATOM
2671
C
GLN
B
63
−65.108
−6.540
18.848
1.00
70.88
C

ATOM
2672
O
GLN
B
63
−64.278
−7.221
18.232
1.00
71.46
O

ATOM
2673
N
ASP
B
64
−66.375
−6.913
19.041
1.00
69.95
N

ATOM
2674
CA
ASP
B
64
−66.942
−8.168
18.554
1.00
69.29
C

ATOM
2675
CB
ASP
B
64
−68.373
−8.376
19.098
1.00
70.92
C

ATOM
2676
CG
ASP
B
64
−68.734
−7.414
20.231
1.00
73.43
C

ATOM
2677
OD1
ASP
B
64
−67.956
−7.311
21.205
1.00
76.86
O

ATOM
2678
OD2
ASP
B
64
−69.804
−6.766
20.147
1.00
72.28
O

ATOM
2679
C
ASP
B
64
−66.963
−8.232
17.022
1.00
87.08
C

ATOM
2680
O
ASP
B
64
−66.361
−9.129
16.427
1.00
66.64
O

ATOM
2681
N
VAL
B
65
−67.669
−7.292
16.395
1.00
64.88
N

ATOM
2682
CA
VAL
B
65
−67.791
−7.278
14.930
1.00
64.96
C

ATOM
2683
CB
VAL
B
65
−68.989
−6.391
14.409
1.00
64.22
C

ATOM
2684
OG1
VAL
B
65
−68.962
−5.002
14.990
1.00
61.40
C

ATOM
2685
OG2
VAL
B
65
−69.017
−6.338
12.889
1.00
62.68
C

ATOM
2686
C
VAL
B
65
−66.438
−6.991
14.245
1.00
64.72
C

ATOM
2687
O
VAL
B
65
−66.099
−7.618
13.231
1.00
63.79
O

ATOM
2688
N
ALA
B
66
−65.671
−6.070
14.835
1.00
55.33
N

ATOM
2689
CA
ALA
B
66
−64.274
−5.823
14.474
1.00
63.44
C

ATOM
2690
CB
ALA
B
66
−63.613
−4.948
15.529
1.00
63.30
C

ATOM
2691
C
ALA
B
66
−63.502
−7.128
14.307
1.00
62.90
C

ATOM
2692
O
ALA
B
66
−62.990
−7.419
13.227
1.00
62.60
O

ATOM
2693
N
SER
B
67
−63.445
−7.918
15.375
1.00
62.98
N

ATOM
2694
CA
SER
B
67
−62.736
−9.199
15.378
1.00
64.25
C

ATOM
2695
CB
SER
B
67
−62.908
−9.875
16.738
1.00
64.15
C

ATOM
2696
OG
SER
B
67
−62.982
−11.291
16.634
1.00
70.98
O

ATOM
2697
C
SER
B
67
−63.164
−10.147
14.248
1.00
64.73
C

ATOM
2698
O
SER
B
67
−62.316
−10.784
13.606
1.00
65.04
O

ATOM
2699
N
GLU
B
68
−64.477
−10.221
14.020
1.00
63.80
N

ATOM
2700
CA
GLU
B
68
−65.090
−11.151
13.070
1.00
62.75
C

ATOM
2701
CB
GLU
B
68
−66.584
−11.276
13.304
1.00
62.49
C

ATOM
2702
CG
GLU
B
68
−67.196
−12.612
12.955
1.00
63.78
C

ATOM
2703
CD
GLU
B
68
−68.708
−12.552
12.853
1.00
63.54
C

ATOM
2704
OE1
GLU
B
68
−69.237
−11.525
12.360
1.00
64.98
O

ATOM
2705
OE2
GLU
B
68
−69.363
−13.533
13.261
1.00
56.63
O

ATOM
2706
C
GLU
B
68
−64.888
−10.728
11.616
1.00
62.65
C

ATOM
2707
O
GLU
B
68
−64.887
−11.573
10.713
1.00
62.51
O

ATOM
2708
N
CYS
B
69
−64.756
−9.416
11.400
1.00
61.15
N

ATOM
2709
CA
CYS
B
69
−64.431
−8.843
10.090
1.00
59.86
C

ATOM
2710
CB
CYS
B
69
−65.032
−7.441
9.958
1.00
60.35
C

ATOM
2711
SG
CYS
B
69
−66.844
−7.400
10.076
1.00
64.87
S

ATOM
2712
C
CYS
B
69
−62.916
−8.784
9.876
1.00
57.62
C

ATOM
2713
O
CYS
B
69
−62.437
−8.446
8.785
1.00
55.42
O

ATOM
2714
N
GLU
B
70
−62.180
−9.135
10.933
1.00
55.82
N

ATOM
2715
CA
GLU
B
70
−60.714
−9.117
10.947
1.00
55.45
C

ATOM
2716
CB
GLU
B
70
−60.135
−10.265
10.114
1.00
56.06
C

ATOM
2717
CG
GLU
B
70
−60.513
−11.645
10.628
1.00
57.67
C

ATOM
2718
CD
GLU
B
70
−60.289
−12.718
9.596
1.00
61.02
C

ATOM
2719
OE1
GLU
B
70
−59.548
−12.452
8.625
1.00
60.26
O

ATOM
2720
OE2
GLU
B
70
−60.851
−13.823
9.754
1.00
64.93
O

ATOM
2721
C
GLU
B
70
−60.160
−7.763
10.504
1.00
54.32
C

ATOM
2722
O
GLU
B
70
−59.322
−7.683
9.601
1.00
54.63
O

ATOM
2723
N
VAL
B
71
−60.684
−6.716
11.138
1.00
52.28
N

ATOM
2724
CA
VAL
B
71
−60.175
−5.358
11.043
1.00
53.40
C

ATOM
2725
CB
VAL
B
71
−61.260
−4.348
11.459
1.00
50.63
C

ATOM
2726
CG1
VAL
B
71
−60.695
−2.958
11.578
1.00
50.15
C

ATOM
2727
CG2
VAL
B
71
−62.349
−4.325
10.426
1.00
55.05
C

ATOM
2728
C
VAL
B
71
−58.920
−5.248
11.937
1.00
56.03
C

ATOM
2729
O
VAL
B
71
−58.908
−5.714
13.076
1.00
57.50
O

ATOM
2730
N
LYS
B
72
−57.859
−4.660
11.399
1.00
56.14
N

ATOM
2731
CA
LYS
B
72
−55.574
−4.659
12.070
1.00
55.82
C

ATOM
2732
CB
LYS
B
72
−55.596
−5.577
11.335
1.00
53.53
C

ATOM
2733
CG
LYS
B
72
−55.901
−7.061
11.553
1.00
61.39
C

ATOM
2734
CD
LYS
B
72
−55.155
−7.982
10.581
1.00
68.22
C

ATOM
2735
CE
LYS
B
72
−55.028
−8.435
9.394
1.00
68.77
C

ATOM
2736
NZ
LYS
B
72
−55.497
−9.710
8.820
1.00
64.65
N

ATOM
2737
C
LYS
B
72
−56.053
−3.238
12.162
1.00
55.61
C

ATOM
2738
O
CYS
B
72
−55.067
−2.985
12.847
1.00
57.72
O

ATOM
2739
N
CYS
B
73
−56.737
−2.319
11.478
1.00
52.46
N

ATOM
2740
CA
CYS
B
73
−56.362
−0.921
11.480
1.00
51.52
C

ATOM
2741
CB
CYS
B
73
−55.188
−0.675
10.517
1.00
47.10
C

ATOM
2742
SG
CYS
B
73
−55.545
−0.945
8.776
1.00
52.97
S

ATOM
2743
C
CYS
B
73
−57.554
−0.041
11.151
1.00
52.77
C

ATOM
2744
O
CYS
B
73
−58.610
−0.523
10.750
1.00
56.47
O

ATOM
2745
N
MET
B
74
−57.378
1.257
11.304
1.00
50.58
N

ATOM
2746
CA
MET
B
74
−58.480
2.207
11.194
1.00
54.73
C

ATOM
2747
CB
MET
B
74
−58.968
2.645
12.583
1.00
56.45
C

ATOM
2748
CG
MET
B
74
−59.615
1.567
13.449
1.00
57.78
C

ATOM
2749
SD
MET
B
74
−58.525
0.294
14.119
1.00
58.44
S

ATOM
2750
CE
MET
B
74
−57.632
1.204
15.395
1.00
59.05
C

ATOM
2751
C
MET
B
74
−57.949
3.438
10.488
1.00
54.83
C

ATOM
2752
O
MET
B
74
−56.783
3.807
10.722
1.00
53.75
O

ATOM
2753
N
PRO
B
75
−58.772
4.087
9.635
1.00
53.71
N

ATOM
2754
CA
PRO
B
75
−60.087
3.601
9.168
1.00
55.53
C

ATOM
2755
CB
PRO
B
75
−60.687
4.794
8.368
1.00
55.24
C

ATOM
2756
CG
PRO
B
75
−59.576
5.727
8.101
1.00
57.47
C

ATOM
2757
CD
PRO
B
75
−58.391
5.377
9.031
1.00
50.85
C

ATOM
2758
C
PRO
B
75
−59.873
2.428
8.254
1.00
55.41
C

ATOM
2759
O
PRO
B
75
−58.973
2.482
7.411
1.00
55.92
O

ATOM
2760
N
THR
B
76
−60.646
1.358
8.448
1.00
53.09
N

ATOM
2761
CA
THR
B
76
−60.785
−0.339
7.422
1.00
53.93
C

ATOM
2762
CB
THR
B
76
−60.494
−1.073
7.956
1.00
54.95
C

ATOM
2763
OG1
THR
B
76
−59.092
−1.237
8.190
1.00
56.63
O

ATOM
2764
OG2
THR
B
76
−60.960
−2.133
6.977
1.00
58.21
C

ATOM
2765
C
THR
B
76
−62.210
0.387
6.848
1.00
53.87
C

ATOM
2766
O
THR
B
76
−63.177
0.537
7.591
1.00
54.59
O

ATOM
2767
N
PHE
B
77
−62.314
0.265
5.527
1.00
54.55
N

ATOM
2768
CA
PHE
B
77
−63.600
0.234
4.818
1.00
53.54
C

ATOM
2769
CB
PHE
B
77
−63.643
1.332
3.777
1.00
54.27
C

ATOM
2770
CG
PHE
B
77
−63.479
2.699
4.338
1.00
50.94
C

ATOM
2771
CD1
PHE
B
77
−64.569
3.375
4.854
1.00
55.22
C

ATOM
2772
CE1
PHE
B
77
−64.422
4.663
5.385
1.00
56.15
C

ATOM
2773
CZ
PHE
B
77
−63.166
5.277
5.384
1.00
60.00
C

ATOM
2774
CE2
PHE
B
77
−62.075
4.612
4.864
1.00
46.71
C

ATOM
2775
CD2
PHE
B
77
−62.281
3.322
4.337
1.00
47.02
C

ATOM
2776
C
PHE
B
77
−63.841
−1.123
4.151
1.00
53.42
C

ATOM
2777
O
PHE
B
77
−63.022
−1.607
3.372
1.00
53.57
O

ATOM
2778
N
GLN
B
78
−64.963
−1.749
4.481
1.00
55.54
N

ATOM
2779
CA
GLN
B
78
−65.333
−3.041
3.887
1.00
53.74
C

ATOM
2780
CB
GLN
B
78
−65.583
−4.070
4.982
1.00
53.85
C

ATOM
2781
CG
GLN
B
78
−64.484
−4.191
6.008
1.00
55.91
C

ATOM
2782
CD
GLN
B
78
−64.381
−5.600
6.554
1.00
65.25
C

ATOM
2783
OE1
GLN
B
78
−65.382
−6.320
6.631
1.00
72.09
O

ATOM
2784
NE2
GLN
B
78
−63.168
−6.012
6.927
1.00
65.38
N

ATOM
2785
C
GLN
B
78
−66.582
−2.912
3.012
1.00
51.63
C

ATOM
2786
O
GLN
B
78
−67.548
−2.275
3.407
1.00
50.05
O

ATOM
2787
N
PHE
B
79
−66.560
−3.519
1.831
1.00
52.28
N

ATOM
2788
CA
PHE
B
79
−67.668
−3.352
0.887
1.00
54.23
C

ATOM
2789
CB
PHE
B
79
−67.165
−2.751
−0.424
1.00
55.23
C

ATOM
2790
CG
PHE
B
79
−66.570
−1.369
−0.288
1.00
55.15
C

ATOM
2791
CD1
PHE
B
79
−65.337
−1.172
0.351
1.00
58.99
C

ATOM
2792
CE1
PHE
B
79
−64.776
−0.105
0.465
1.00
59.25
C

ATOM
2793
CZ
PHE
B
79
−65.445
−1.205
−0.074
1.00
53.35
C

ATOM
2794
CE2
PHE
B
79
−65.673
−1.012
−0.723
1.00
56.61
C

ATOM
2795
CD2
PHE
B
79
−67.215
−0.270
−0.839
1.00
50.52
C

ATOM
2796
C
PHE
B
79
−68.346
−4.685
0.609
1.00
55.82
C

ATOM
2797
O
PHE
B
79
−67.671
−5.680
0.300
1.00
54.37
O

ATOM
2798
N
PHE
B
80
−69.678
−4.697
0.712
1.00
57.98
N

ATOM
2799
CA
PHE
B
80
−70.487
−5.904
0.491
1.00
58.52
C

ATOM
2800
CB
PHE
B
80
−71.151
−6.385
1.700
1.00
57.28
C

ATOM
2801
CG
PHE
B
80
−70.237
−6.420
2.985
1.00
60.59
C

ATOM
2802
CD1
PHE
B
80
−69.933
−5.249
3.690
1.00
58.00
C

ATOM
2803
CE1
PHE
B
80
−69.106
−5.279
4.810
1.00
61.48
C

ATOM
2804
CZ
PHE
B
80
−68.567
−6.496
5.241
1.00
59.77
C

ATOM
2805
CE2
PHE
B
80
−68.871
−7.671
4.552
1.00
65.00
C

ATOM
2806
CD2
PHE
B
80
−69.712
−7.628
3.433
1.00
58.70
C

ATOM
2807
C
PHE
B
80
−71.598
−5.671
−0.552
1.00
60.53
C

ATOM
2808
O
PHE
B
80
−72.253
−4.614
−0.565
1.00
59.79
O

ATOM
2809
N
LYS
B
81
−71.883
−6.636
−1.417
1.00
61.07
N

ATOM
2810
CA
LYS
B
81
−73.050
−6.460
−2.294
1.00
62.73
C

ATOM
2811
CB
LYS
B
81
−72.770
−6.859
−3.746
1.00
61.66
C

ATOM
2812
CG
LYS
B
81
−73.294
−5.840
−4.731
1.00
62.19
C

ATOM
2813
CD
LYS
B
81
−72.215
−5.219
−5.571
1.00
63.16
C

ATOM
2814
CE
LYS
B
81
−71.584
−6.231
−6.482
1.00
65.83
C

ATOM
2815
NZ
LYS
B
81
−70.524
−5.662
−7.353
1.00
65.65
N

ATOM
2816
C
LYS
B
81
−74.389
−7.055
−1.764
1.00
63.93
C

ATOM
2817
O
LYS
B
81
−75.308
−6.311
−1.427
1.00
62.88
O

ATOM
2818
N
LYS
B
82
−74.516
−8.367
−1.684
1.00
65.97
N

ATOM
2819
CA
LYS
B
82
−75.776
−8.909
−1.189
1.00
67.29
C

ATOM
2820
CB
LYS
B
82
−76.132
−10.205
−1.915
1.00
66.34
C

ATOM
2821
CG
LYS
B
82
−75.669
−10.268
−3.367
1.00
64.42
C

ATOM
2822
CD
LYS
B
82
−76.792
−9.935
−4.342
1.00
66.25
C

ATOM
2823
CE
LYS
B
82
−76.890
−10.959
−5.475
1.00
62.13
C

ATOM
2824
NZ
LYS
B
82
−78.184
−11.694
−5.510
1.00
58.80
N

ATOM
2825
C
LYS
B
82
−75.624
−9.169
0.290
1.00
68.33
C

ATOM
2826
O
LYS
B
82
−76.582
−9.289
1.053
1.00
68.46
O

ATOM
2827
N
GLY
B
83
−74.368
−9.244
0.666
1.00
68.58
N

ATOM
2828
CA
LYS
B
83
−73.931
−9.752
1.970
1.00
69.41
C

ATOM
2829
C
LYS
B
83
−72.564
−10.420
1.918
1.00
59.75
C

ATOM
2830
O
LYS
B
83
−71.959
−10.695
2.961
1.00
70.94
O

ATOM
2831
N
GLN
B
84
−72.082
−10.684
0.700
1.00
68.93
N

ATOM
2832
CA
GLN
B
84
−70.722
−11.182
0.469
1.00
68.08
C

ATOM
2833
CB
GLN
B
84
−70.681
−12.107
−0.755
1.00
68.19
C

ATOM
2834
CG
GLN
B
84
−71.979
−12.861
−1.064
1.00
70.82
C

ATOM
2835
CD
GLN
B
84
−72.148
−14.137
−0.252
1.00
73.97
C

ATOM
2836
OE1
GLN
B
84
−71.564
−14.292
0.826
1.00
74.62
O

ATOM
2837
NE2
GLN
B
84
−72.957
−15.060
−0.771
1.00
71.67
N

ATOM
2838
C
GLN
B
84
−69.756
−10.007
0.253
1.00
67.67
C

ATOM
2839
O
GLN
B
84
−69.968
−9.175
−0.645
1.00
67.60
O

ATOM
2840
N
LYS
B
85
−68.703
−9.939
1.070
1.00
65.93
N

ATOM
2841
CA
LYS
B
85
−67.684
−8.897
0.930
1.00
64.61
C

ATOM
2842
CB
LYS
B
85
−66.613
−9.018
2.026
1.00
64.48
C

ATOM
2843
CG
LYS
B
85
−65.399
−8.094
1.853
1.00
59.40
C

ATOM
2844
CD
LYS
B
85
−64.932
−7.483
3.181
1.00
59.93
C

ATOM
2845
CE
LYS
B
85
−64.587
−8.525
4.242
1.00
54.50
C

ATOM
2846
NZ
LYS
B
85
−63.272
−9.187
4.015
1.00
56.77
N

ATOM
2847
C
LYS
B
85
−67.062
−8.929
−0.463
1.00
63.98
C

ATOM
2848
O
LYS
B
85
−66.585
−9.971
−0.920
1.00
63.09
O

ATOM
2849
N
VAL
B
86
−67.092
−7.783
−1.138
1.00
63.08
N

ATOM
2850
CA
VAL
B
86
−66.586
−7.690
−2.509
1.00
63.91
C

ATOM
2851
CB
VAL
B
86
−67.726
−7.334
−3.543
1.00
63.83
C

ATOM
2852
CG1
VAL
B
86
−68.264
−5.912
−3.340
1.00
51.70
C

ATOM
2853
CG2
VAL
B
86
−67.256
−7.559
−4.978
1.00
63.51
C

ATOM
2854
C
VAL
B
86
−65.368
−6.756
−2.606
1.00
63.78
C

ATOM
2855
O
VAL
B
86
−64.564
−6.850
−3.539
1.00
61.92
O

ATOM
2856
N
GLY
B
87
−65.226
−5.875
−1.625
1.00
62.60
N

ATOM
2857
CA
GLY
B
87
−64.108
−4.954
−1.598
1.00
61.12
C

ATOM
2858
C
GLY
B
87
−63.606
−4.749
−0.184
1.00
60.72
C

ATOM
2859
O
GLY
B
87
−64.213
−5.217
0.800
1.00
59.15
O

ATOM
2860
N
GLU
B
88
−62.482
−4.049
−0.090
1.00
60.55
N

ATOM
2861
CA
GLU
B
88
−61.910
−3.682
1.195
1.00
59.10
C

ATOM
2862
CB
GLU
B
88
−61.664
−4.922
2.035
1.00
58.53
C

ATOM
2863
CG
GLU
B
88
−61.644
−4.622
3.510
1.00
62.62
C

ATOM
2864
CD
GLU
B
88
−60.973
−5.721
4.302
1.00
73.50
C

ATOM
2865
OE1
GLU
B
88
−60.894
−6.869
3.783
1.00
69.51
O

ATOM
2866
OE2
GLU
B
88
−60.526
−5.429
5.440
1.00
75.80
O

ATOM
2867
C
GLU
B
88
−60.610
−2.944
1.005
1.00
57.02
C

ATOM
2868
O
GLU
B
88
−59.771
−3.336
0.181
1.00
54.56
O

ATOM
2869
N
PHE
B
89
−60.466
−1.865
1.768
1.00
56.20
N

ATOM
2870
CA
PHE
B
89
−59.199
−1.171
1.900
1.00
54.23
C

ATOM
2871
CB
PHE
B
89
−58.948
−0.228
0.709
1.00
55.10
C

ATOM
2872
CG
PHE
B
89
−59.646
1.104
0.815
1.00
56.25
C

ATOM
2873
CD1
PHE
B
89
−58.954
2.226
1.260
1.00
51.18
C

ATOM
2874
CE1
PHE
B
89
−59.588
3.466
1.372
1.00
45.19
C

ATOM
2875
CZ
PHE
B
89
−60.940
3.597
0.980
1.00
55.21
C

ATOM
2876
CE2
PHE
B
89
−61.643
2.476
0.523
1.00
49.41
C

ATOM
2877
CD2
PHE
B
89
−60.987
1.241
0.434
1.00
54.94
C

ATOM
2878
C
PHE
B
89
−59.094
−0.436
3.232
1.00
53.55
C

ATOM
2879
O
PHE
B
89
−60.111
−0.049
3.831
1.00
54.40
O

ATOM
2880
N
SER
B
90
−57.853
−0.221
3.673
1.00
51.34
N

ATOM
2881
CA
SER
B
90
−57.563
0.596
4.857
1.00
50.45
C

ATOM
2882
CB
SER
B
90
−56.669
−0.189
5.796
1.00
50.37
O

ATOM
2883
OG
SER
B
90
−57.329
−1.362
6.262
1.00
53.18
O

ATOM
2884
C
SER
B
90
−56.901
1.924
4.501
1.00
48.30
C

ATOM
2885
O
SER
B
90
−56.165
2.006
3.545
1.00
48.47
O

ATOM
2886
N
GLY
B
91
−57.178
2.966
5.270
1.00
50.82
N

ATOM
2887
CA
GLY
B
91
−56.556
4.269
5.054
1.00
53.78
C

ATOM
2888
C
GLY
B
91
−57.520
5.428
4.838
1.00
55.33
C

ATOM
2889
O
GLY
B
91
−58.506
5.315
4.132
1.00
56.28
O

ATOM
2890
N
ALA
B
92
−57.204
6.575
5.413
1.00
57.76
N

ATOM
2891
CA
ALA
B
92
58.074
7.751
5.274
1.00
55.48
C

ATOM
2892
CB
ALA
B
92
−57.780
8.732
6.389
1.00
55.96
C

ATOM
2893
C
ALA
B
92
−57.858
8.384
3.907
1.00
56.47
C

ATOM
2894
O
ALA
B
92
−57.383
9.509
3.794
1.00
59.61
O

ATOM
2895
N
ASN
B
93
−58.206
7.642
2.863
1.00
55.91
N

ATOM
2896
CA
ASN
B
93
−58.029
8.073
1.471
1.00
56.43
C

ATOM
2897
CB
ASN
B
93
−57.284
6.956
0.726
1.00
56.22
C

ATOM
2898
CG
ASN
B
93
−56.825
7.353
−0.671
1.00
61.49
C

ATOM
2899
OD1
ASN
B
93
−57.348
8.279
−1.301
1.00
51.25
O

ATOM
2900
ND2
ASN
B
93
−55.841
6.616
−1.175
1.00
66.19
N

ATOM
2901
C
ASN
B
93
−59.389
8.321
0.842
1.00
55.42
C

ATOM
2902
O
ASN
B
93
−60.087
7.372
0.535
1.00
55.78
O

ATOM
2903
N
LYS
B
94
−59.774
9.592
0.683
1.00
57.54
N

ATOM
2904
CA
LYS
B
94
−61.124
9.969
0.234
1.00
57.17
C

ATOM
2905
CB
LYS
B
94
−61.324
11.487
0.280
1.00
56.46
C

ATOM
2906
CG
LYS
B
94
−60.939
12.197
1.537
1.00
64.88
C

ATOM
2907
CD
LYS
B
94
−60.973
13.705
1.312
1.00
69.02
C

ATOM
2908
CE
LYS
B
94
−60.254
14.068
0.023
1.00
74.45
C

ATOM
2909
NZ
LYS
B
94
−59.595
15.405
0.061
1.00
75.54
N

ATOM
2910
C
LYS
B
94
−61.370
9.547
−1.213
1.00
57.53
C

ATOM
2911
O
LYS
B
94
−62.473
9.105
−1.385
1.00
58.78
O

ATOM
2912
N
GLU
B
95
−60.332
9.730
−2.022
1.00
56.40
N

ATOM
2913
CA
GLU
B
95
−60.414
9.509
−3.465
1.00
51.79
C

ATOM
2914
CB
GLU
B
95
−59.219
10.150
−4.186
1.00
55.43
C

ATOM
2915
CG
GLU
B
95
−59.197
11.692
−4.168
1.00
54.73
C

ATOM
2916
CD
GLU
B
95
−58.670
12.315
−2.849
1.00
66.69
C

ATOM
2917
OE1
GLU
B
95
−58.049
11.612
−1.983
1.00
58.98
O

ATOM
2918
OE2
GLU
B
95
−58.897
13.537
−2.689
1.00
67.58
O

ATOM
2919
O
GLU
B
95
−60.469
8.006
−3.676
1.00
49.68
C

ATOM
2920
O
GLU
B
95
−61.215
7.561
−4.513
1.00
47.24
O

ATOM
2921
N
LYS
B
96
−59.733
7.212
−2.895
1.00
44.28
N

ATOM
2922
CA
LYS
B
96
−59.830
5.754
−3.021
1.00
47.73
O

ATOM
2923
CB
LYS
B
96
−58.747
5.003
−2.233
1.00
52.83
C

ATOM
2924
CG
LYS
B
96
−58.721
3.482
−2.512
1.00
55.89
C

ATOM
2925
CD
LYS
B
96
−57.445
2.839
−1.963
1.00
66.63
C

ATOM
2926
CE
LYS
B
96
−57.186
1.447
−2.579
1.00
74.92
C

ATOM
2927
NZ
LYS
B
96
−56.220
0.662
−1.732
1.00
74.14
N

ATOM
2928
C
LYS
B
96
−61.189
5.274
−2.539
1.00
50.55
C

ATOM
2929
O
LYS
B
96
−61.743
4.336
−3.108
1.00
53.20
O

ATOM
2930
N
LEU
B
97
−61.729
5.904
−1.493
1.00
50.24
N

ATOM
2931
CA
LEU
B
97
−63.024
5.501
−0.953
1.00
48.23
C

ATOM
2932
CB
LEU
B
97
−63.299
6.209
0.372
1.00
50.30
C

ATOM
2933
CG
LEU
B
97
−64.692
6.165
1.026
1.00
47.86
O

ATOM
2934
CD1
LEU
B
97
−65.096
4.785
1.490
1.00
50.25
C

ATOM
2935
CD2
LEU
B
97
−64.699
7.157
2.173
1.00
51.86
C

ATOM
2936
C
LEU
B
97
−64.152
5.749
−1.971
1.00
49.77
C

ATOM
2937
O
LEU
B
97
−64.971
4.861
−2.213
1.00
47.51
O

ATOM
2938
N
GLU
B
98
−64.196
6.947
−2.560
1.00
49.47
N

ATOM
2939
CA
GLU
B
98
−65.217
7.235
−3.569
1.00
48.25
C

ATOM
2940
CB
GLU
B
98
−65.286
8.729
−3.937
1.00
46.21
C

ATOM
2941
CG
GLU
B
98
−66.495
9.084
−4.867
1.00
50.37
C

ATOM
2942
CD
GLU
B
98
−66.640
10.590
−5.139
1.00
48.78
C

ATOM
2943
OE1
GLU
B
98
−65.651
11.348
−4.928
1.00
45.69
O

ATOM
2944
OE2
GLU
B
98
−67.754
11.009
−5.554
1.00
44.48
O

ATOM
2945
C
GLU
B
98
−64.901
0.393
−4.804
1.00
52.85
C

ATOM
2946
O
GLU
B
98
−65.890
5.831
−5.377
1.00
58.28
O

ATOM
2947
N
ALA
B
99
−63.706
6.315
−5.226
1.00
51.45
N

ATOM
2948
CA
ALA
B
99
−63.375
5.551
−6.407
1.00
53.38
C

ATOM
2949
CB
ALA
B
99
−61.905
5.669
−6.742
1.00
51.87
C

ATOM
2950
C
ALA
B
99
−63.815
4.093
−6.261
1.00
54.87
C

ATOM
2951
O
ALA
B
99
−64.298
3.518
−7.224
1.00
51.88
O

ATOM
2952
N
THR
B
100
−63.698
3.526
−5.054
1.00
54.05
N

ATOM
2953
CA
THR
B
100
−64.053
2.110
−4.804
1.00
55.42
C

ATOM
2954
CB
THR
B
100
−63.517
1.574
−3.439
1.00
54.99
C

ATOM
2955
OG1
THR
B
100
−62.101
1.766
−3.365
1.00
56.92
O

ATOM
2956
OG2
THR
B
100
−68.811
0.081
−3.267
1.00
54.35
C

ATOM
2957
C
THR
B
100
−65.558
1.920
−4.842
1.00
56.95
C

ATOM
2958
O
THR
B
100
−66.043
0.872
−5.264
1.00
57.28
O

ATOM
2959
N
ILE
B
101
−66.290
2.927
−4.379
1.00
58.02
N

ATOM
2960
CA
ILE
B
101
−67.757
2.911
−4.442
1.00
58.94
C

ATOM
2961
CB
ILE
B
101
−68.353
4.136
−3.679
1.00
59.95
C

ATOM
2962
CG1
ILE
B
101
−68.138
3.962
−2.161
1.00
55.20
C

ATOM
2963
CD1
ILE
B
101
−68.489
5.194
−1.317
1.00
46.14
C

ATOM
2964
CG2
ILE
B
101
−69.841
4.395
−4.093
1.00
51.51
C

ATOM
2965
C
ILE
B
101
−68.232
2.859
−5.901
1.00
59.49
C

ATOM
2966
O
ILE
B
101
−68.929
1.923
−6.316
1.00
60.92
O

ATOM
2967
N
ASN
B
102
−67.819
3.851
−6.686
1.00
60.21
N

ATOM
2968
CA
ASN
B
102
−68.130
3.903
−8.111
1.00
58.70
C

ATOM
2969
CB
ASN
B
102
−67.326
5.009
−8.811
1.00
58.18
C

ATOM
2970
CG
ASN
B
102
−67.577
6.399
−8.233
1.00
52.84
C

ATOM
2971
OD1
ASN
B
102
−68.676
6.630
−7.656
1.00
51.82
O

ATOM
2972
ND2
ASN
B
102
−66.546
7.357
−8.420
1.00
51.93
N

ATOM
2973
C
ASN
B
102
−67.778
2.579
−8.774
1.00
60.60
O

ATOM
2974
O
ASN
B
102
−68.476
2.120
−9.695
1.00
61.04
O

ATOM
2975
N
GLU
B
103
−66.671
1.986
−8.319
1.00
59.41
N

ATOM
2976
CA
GLU
B
103
−66.145
0.744
−8.894
1.00
61.24
C

ATOM
2977
CB
GLU
B
103
−64.661
0.573
−8.542
1.00
61.83
C

ATOM
2978
CG
GLU
B
103
−64.060
−0.810
−8.758
1.00
65.26
C

ATOM
2979
CD
GLU
B
103
−62.749
−0.980
−7.998
1.00
69.40
C

ATOM
2980
OE1
GLU
B
103
−61.748
−0.338
−8.387
1.00
73.24
O

ATOM
2981
OE2
GLU
B
103
−62.719
−1.760
−7.018
1.00
64.96
O

ATOM
2982
C
GLU
B
103
−66.978
−0.492
−8.520
1.00
62.07
C

ATOM
2983
O
GLU
B
103
−67.15
−1.465
−9.289
1.00
63.47
O

ATOM
2984
N
LEU
B
104
−67.692
−0.431
−7.393
1.00
60.81
N

ATOM
2985
CA
LEU
B
104
−68.407
−1.607
−6.881
1.00
61.45
C

ATOM
2986
CB
LEU
B
104
−67.968
−1.919
−5.447
1.00
61.55
C

ATOM
2987
CG
LEU
B
104
−66.610
−2.580
−5.216
1.00
58.94
C

ATOM
2988
CD1
LEU
B
104
−66.404
−2.708
−3.728
1.00
64.88
C

ATOM
2989
CD2
LEU
B
104
−66.494
−3.943
5.894
1.00
62.15
C

ATOM
2990
C
LEU
B
104
−69.945
−1.607
−6.982
1.00
62.13
C

ATOM
2991
O
LEU
B
104
−70.540
−2.670
−7.163
1.00
62.31
O

ATOM
2992
N
VAL
B
105
−70.567
−0.429
−6.856
1.00
63.35
N

ATOM
2993
CA
VAL
B
105
−72.044
−0.239
−6.853
1.00
61.88
C

ATOM
2994
CB
VAL
B
105
−72.433
1.165
−7.402
1.00
60.97
C

ATOM
2995
CG1
VAL
B
105
−73.849
1.173
−8.027
1.00
62.19
C

ATOM
2996
CG2
VAL
B
105
−72.303
2.229
−6.379
1.00
53.51
C

ATOM
2997
C
VAL
B
105
−72.874
−1.355
−7.528
1.00
64.06
C

ATOM
2998
O
VAL
B
105
−73.781
−1.938
−6.919
1.00
64.40
O

ATOM
2999
OXT
VAL
B
105
−72.664
−1.696
−8.698
1.00
63.15
O

TER
3001

VAL
B
105

ATOM
3000
N
LYS
C
8
−16.361
6.444
5.932
1.00
58.47
N

ATOM
3001
CA
LYS
C
8
−15.932
7.843
5.588
1.00
60.05
C

ATOM
3002
CB
LYS
C
8
−17.129
0.730
5.002
1.00
59.08
C

ATOM
3003
CG
LYS
C
8
−16.711
10.140
4.965
1.00
56.23
C

ATOM
3004
CD
LYS
C
8
−17.857
11.097
4.994
1.00
56.69
C

ATOM
3005
CE
LYS
C
8
−17.365
12.502
4.694
1.00
69.90
C

ATOM
3006
NZ
LYS
C
8
−18.497
13.411
4.332
1.00
78.67
N

ATOM
3007
C
LYS
C
8
−15.093
8.553
6.658
1.00
62.35
C

ATOM
3008
O
LYS
C
8
−13.946
8.928
6.403
1.00
63.39
O

ATOM
3009
N
SER
C
9
−15.701
8.799
7.824
1.00
61.32
N

ATOM
3010
CA
SER
C
9
−15.016
9.449
8.953
1.00
59.32
C

ATOM
3011
CB
SER
C
9
−15.571
10.853
9.280
1.00
59.08
C

ATOM
3012
OG
SER
C
9
−16.361
11.336
8.156
1.00
65.30
O

ATOM
3013
C
SER
C
9
−15.180
8.584
10.107
1.00
57.00
C

ATOM
3014
O
SER
C
9
−16.201
7.884
10.374
1.00
57.04
O

ATOM
3015
N
PHE
C
10
−14.202
8.655
11.073
1.00
54.21
N

ATOM
3016
CA
PHE
C
10
−14.216
7.868
12.274
1.00
50.34
C

ATOM
3017
CB
PHE
C
10
−13.716
6.478
11.952
1.00
48.51
C

ATOM
3018
CG
PHE
C
10
−13.813
5.532
13.089
1.00
51.98
C

ATOM
3019
CD1
PHE
C
10
−14.944
5.506
13.891
1.00
51.05
C

ATOM
3020
CE1
PHE
C
10
−15.25
4.632
14.942
1.00
49.84
C

ATOM
3021
CZ
PHE
C
10
−14.020
3.758
15.179
1.00
47.81
C

ATOM
3022
CE2
PHE
C
10
−12.893
3.759
14.381
1.00
55.05
C

ATOM
3023
CD2
PHE
C
10
−12.791
4.650
13.344
1.00
40.44
C

ATOM
3024
C
PHE
C
10
−13.265
8.552
13.223
1.00
50.76
C

ATOM
3025
O
PHE
C
10
−12.063
8.455
13.038
1.00
45.73
O

ATOM
3026
N
GLU
C
11
−18.790
9.272
14.209
1.00
48.40
N

ATOM
3027
CA
GLU
C
11
−12.905
10.112
15.009
1.00
51.21
C

ATOM
3028
CB
GLU
C
11
−12.907
11.548
14.463
1.00
54.19
C

ATOM
3029
CG
GLU
C
11
−11.626
12.348
14.817
1.00
60.97
C

ATOM
3030
CD
GLU
C
11
−11.836
13.856
14.778
1.00
60.47
C

ATOM
3031
OE1
GLU
C
11
−12.777
14.290
14.101
1.00
51.05
O

ATOM
3032
OE2
GLU
C
11
−11.070
14.612
15.428
1.00
57.81
O

ATOM
3033
C
GLU
C
11
−13.304
10.137
16.473
1.00
47.85
C

ATOM
3034
O
GLU
C
11
−14.502
10.154
16.784
1.00
45.20
O

ATOM
3035
N
VAL
C
12
−12.302
10.165
17.361
1.00
47.39
N

ATOM
3036
CA
VAL
C
12
−12.566
10.423
18.764
1.00
44.83
C

ATOM
3037
CB
VAL
C
12
−11.505
9.765
19.671
1.00
49.05
C

ATOM
3038
CG1
VAL
C
12
−11.689
10.216
21.113
1.00
41.09
C

ATOM
3039
CG2
VAL
C
12
−11.596
8.227
19.583
1.00
42.11
C

ATOM
3040
C
VAL
C
12
−12.602
11.945
18.933
1.00
45.57
C

ATOM
3041
O
VAL
C
12
−11.678
12.644
18.515
1.00
46.86
O

ATOM
3042
N
VAL
C
13
−13.664
12.464
19.544
1.00
45.91
N

ATOM
3043
CA
VAL
C
13
−13.793
13.909
19.788
1.00
40.64
C

ATOM
3044
CB
VAL
C
13
−14.908
14.533
18.884
1.00
42.84
C

ATOM
3045
CG1
VAL
C
13
−15.051
16.034
19.114
1.00
45.23
C

ATOM
3046
CG2
VAL
C
13
−14.571
14.304
17.442
1.00
41.89
C

ATOM
3047
C
VAL
C
13
−13.974
14.175
21.289
1.00
38.95
C

ATOM
3048
O
VAL
C
13
−15.035
13.935
21.861
1.00
39.74
O

ATOM
3049
N
PHE
C
14
−12.926
14.687
21.936
1.00
40.83
N

ATOM
3050
CA
PHE
C
14
−13.029
15.064
23.331
1.00
40.78
C

ATOM
3051
CB
PHE
C
14
−11.647
15.233
23.859
1.00
39.50
C

ATOM
3052
CG
PHE
C
14
−10.827
13.964
23.998
1.00
41.09
C

ATOM
3053
CD1
PHE
C
14
−11.082
12.976
24.952
1.00
31.95
C

ATOM
3054
CE1
PHE
C
14
−10.311
11.796
24.985
1.00
32.98
C

ATOM
3055
CZ
PHE
C
14
−9.273
11.621
24.083
1.00
38.46
C

ATOM
3056
CE2
PHE
C
14
−9.011
12.593
23.125
1.00
35.33
C

ATOM
3057
CD2
PHE
C
14
−9.801
13.756
23.070
1.00
38.94
C

ATOM
3058
C
PHE
C
14
−13.826
16.345
23.493
1.00
42.40
C

ATOM
3059
O
PHE
C
14
−13.711
17.255
22.683
1.00
44.03
O

ATOM
3060
N
ASN
C
15
−14.622
16.400
24.560
1.00
43.13
N

ATOM
3061
CA
ASN
C
15
−15.455
17.537
24.905
1.00
43.25
C

ATOM
3062
CB
ASN
C
15
−16.318
17.183
26.113
1.00
43.22
C

ATOM
3063
CG
ASN
C
15
−17.526
16.322
25.745
1.00
39.96
C

ATOM
3064
OD1
ASN
C
15
−17.771
16.027
24.570
1.00
44.03
O

ATOM
3065
ND2
ASN
C
15
−18.277
15.911
26.755
1.00
46.15
N

ATOM
3066
C
ASN
C
15
−14.664
18.807
25.215
1.00
46.16
C

ATOM
3067
O
ASN
C
15
−15.106
19.908
24.866
1.00
48.49
O

ATOM
3068
N
ASP
C
16
−13.522
18.640
25.897
1.00
42.46
N

ATOM
3069
CA
ASP
C
16
−12.515
19.698
26.161
1.00
41.60
C

ATOM
3070
CB
ASP
C
16
−12.218
19.772
27.677
1.00
43.28
C

ATOM
3071
CG
ASP
C
16
−13.488
19.810
28.535
1.00
59.34
C

ATOM
3072
OD1
ASP
C
16
−13.659
18.932
29.435
1.00
63.27
C

ATOM
3073
OD2
ASP
C
16
−14.327
20.698
28.279
1.00
59.36
C

ATOM
3074
C
ASP
C
16
−11.208
19.309
25.445
1.00
38.79
C

ATOM
3075
O
ASP
C
16
−10.325
18.701
26.055
1.00
40.61
O

ATOM
3076
N
PRO
C
17
−11.079
19.605
24.150
1.00
39.29
N

ATOM
3077
CA
PRO
C
17
−9.897
19.065
23.470
1.00
41.43
C

ATOM
3078
CB
PRO
C
17
−10.187
19.338
21.987
1.00
44.18
C

ATOM
3079
CG
PRO
C
17
−11.271
20.262
21.939
1.00
38.38
C

ATOM
3080
CD
PRO
C
17
−11.962
20.351
23.239
1.00
40.65
C

ATOM
3081
C
PRO
C
17
−8.514
19.632
23.893
1.00
43.71
C

ATOM
3082
O
PRO
C
17
−7.499
19.008
23.641
1.00
42.48
O

ATOM
3083
N
GLU
C
18
−8.537
20.780
24.577
1.00
42.73
N

ATOM
3084
CA
GLU
C
18
−7.276
21.370
25.070
1.00
36.57
C

ATOM
3085
CB
GLU
C
18
−7.219
22.848
24.671
1.00
38.53
C

ATOM
3086
CG
GLU
C
18
−6.608
23.086
23.300
1.00
42.71
C

ATOM
3087
CD
GLU
C
18
−7.460
22.533
22.181
1.00
44.89
C

ATOM
3088
OE1
GLU
C
18
−8.603
21.002
22.008
1.00
56.07
O

ATOM
3089
OE2
GLU
C
18
−6.988
21.632
21.467
1.00
47.92
O

ATOM
3090
C
GLU
C
18
−7.023
21.183
26.567
1.00
37.56
C

ATOM
3091
O
GLU
C
18
−6.011
21.633
27.113
1.00
34.75
O

ATOM
3092
N
LYS
C
19
−7.918
20.477
27.246
1.00
33.99
N

ATOM
3093
CA
LYS
C
19
−7.729
20.296
28.657
1.00
34.73
C

ATOM
3094
CB
LYS
C
19
−8.996
19.797
29.311
1.00
35.81
C

ATOM
3095
CG
LYS
C
19
−8.863
19.715
30.852
1.00
39.17
C

ATOM
3096
CD
LYS
C
19
−10.208
19.377
31.433
1.00
43.21
C

ATOM
3097
CE
LYS
C
19
−10.050
19.163
32.018
1.00
50.88
C

ATOM
3098
NZ
LYS
C
19
−11.410
18.958
33.458
1.00
57.21
N

ATOM
3099
C
LYS
C
19
−6.582
19.338
28.946
1.00
38.52
C

ATOM
3100
O
LYS
C
19
−6.384
18.359
28.236
1.00
39.00
O

ATOM
3101
N
VAL
C
20
−5.853
19.632
30.017
1.00
38.57
N

ATOM
3102
CA
VAL
C
20
−4.814
18.709
30.581
1.00
37.17
C

ATOM
3103
CB
VAL
C
20
−3.545
19.604
30.894
1.00
36.84
C

ATOM
3104
CG1
VAL
C
20
−2.435
18.780
31.383
1.00
39.57
C

ATOM
3105
CG2
VAL
C
20
−3.066
20.386
29.610
1.00
29.68
C

ATOM
3106
C
VAL
C
20
−5.449
18.262
31.879
1.00
40.74
O

ATOM
3107
O
VAL
C
20
−5.757
19.072
32.768
1.00
39.40
O

ATOM
3108
N
TYR
C
21
−5.681
16.947
31.968
1.00
39.40
N

ATOM
3109
CA
TYR
C
21
−6.521
16.384
33.030
1.00
39.38
C

ATOM
3110
CB
TYR
C
21
−7.259
15.135
32.549
1.00
43.52
C

ATOM
3111
CG
TYR
C
21
−8.201
15.356
31.406
1.00
39.37
C

ATOM
3112
CD1
TYR
C
21
−9.552
15.593
31.612
1.00
39.19
C

ATOM
3113
CE1
TYR
C
21
−10.399
15.814
30.533
1.00
39.92
C

ATOM
3114
CZ
TYR
C
21
−9.863
15.789
29.276
1.00
46.74
C

ATOM
3115
OH
TYR
C
21
−10.634
15.990
28.184
1.00
49.20
O

ATOM
3116
CE2
TYR
C
21
−8.509
15.555
29.085
1.00
32.22
C

ATOM
3117
CD2
TYR
C
21
−7.718
15.345
30.118
1.00
41.71
C

ATOM
3118
C
TYR
C
21
−5.723
15.994
34.265
1.00
39.21
C

ATOM
3119
O
TYR
C
21
−4.588
15.539
34.166
1.00
35.48
O

ATOM
3120
N
GLY
C
22
−6.365
16.804
35.428
1.00
39.20
N

ATOM
3121
CA
GLY
C
22
−5.676
15.775
36.684
1.00
42.02
C

ATOM
3122
C
GLY
C
22
−6.310
14.556
37.298
1.00
43.24
C

ATOM
3123
O
GLY
C
22
−7.337
14.085
36.850
1.00
39.50
O

ATOM
3124
N
SER
C
23
−5.673
14.038
38.332
1.00
46.02
N

ATOM
3125
CA
SER
C
23
−6.111
12.837
38.997
1.00
46.07
C

ATOM
3126
CB
SER
C
23
−5.206
12.642
40.222
1.00
50.25
C

ATOM
3127
OG
SER
C
23
−5.498
11.418
40.815
1.00
61.04
O

ATOM
3128
C
SER
C
23
−7.573
12.972
39.397
1.00
45.06
C

ATOM
3129
O
SER
C
23
−8.032
14.043
39.806
1.00
44.98
O

ATOM
3130
N
GLY
C
24
−8.337
11.905
39.217
1.00
44.75
N

ATOM
3131
CA
GLY
C
24
−9.754
11.954
39.557
1.00
46.55
C

ATOM
3132
C
GLY
C
24
−10.729
12.623
38.598
1.00
48.61
C

ATOM
3133
O
GLY
C
24
−11.933
12.482
38.706
1.00
49.00
O

ATOM
3134
N
GLU
C
25
−10.243
13.328
37.579
1.00
44.97
N

ATOM
3135
CA
GLU
C
25
−11.141
14.012
36.635
1.00
43.32
C

ATOM
3136
CB
GLU
C
25
−10.437
15.189
35.934
1.00
42.44
C

ATOM
3137
CG
GLU
C
25
−9.862
16.213
36.920
1.00
46.34
C

ATOM
3138
CD
GLU
C
25
−9.525
17.543
36.261
1.00
53.56
C

ATOM
3139
OE1
GLU
C
25
−8.501
17.631
35.558
1.00
43.27
O

ATOM
3140
OE2
GLU
C
25
−10.271
18.522
36.463
1.00
61.83
O

ATOM
3141
C
GLU
C
25
−11.814
13.113
35.618
1.00
42.99
C

ATOM
3142
O
GLU
C
25
−11.325
12.041
35.281
1.00
42.31
O

ATOM
3143
N
ARG
C
26
−12.953
13.578
35.109
1.00
43.37
N

ATOM
3144
CA
ARG
C
26
−13.706
12.023
34.132
1.00
44.05
O

ATOM
3145
CB
ARG
C
26
−15.225
13.034
34.319
1.00
44.08
C

ATOM
3146
CG
ARG
C
26
−16.086
12.246
33.333
1.00
59.36
C

ATOM
3147
CD
ARG
C
26
−17.377
11.764
33.969
1.00
76.13
C

ATOM
3148
NE
ARG
C
26
−18.033
10.732
33.162
1.00
88.55
N

ATOM
3149
CZ
ARG
C
26
−18.050
9.426
33.448
1.00
92.94
C

ATOM
3150
NH1
ARG
C
26
−17.446
8.947
34.531
1.00
86.27
N

ATOM
3151
NH2
ARG
C
26
−18.692
8.587
32.643
1.00
98.62
N

ATOM
3152
C
ARG
C
26
−13.223
13.185
32.724
1.00
41.71
C

ATOM
3153
O
ARG
C
26
−13.013
14.349
32.400
1.00
42.10
O

ATOM
3154
N
VAL
C
27
−13.042
12.169
31.890
1.00
41.32
N

ATOM
3155
CA
VAL
C
27
−12.670
12.404
30.505
1.00
39.54
C

ATOM
3156
CB
VAL
C
27
−11.405
11.634
30.110
1.00
37.84
C

ATOM
3157
CG1
VAL
C
27
−11.021
11.989
28.737
1.00
32.46
C

ATOM
3158
CG2
VAL
C
27
−10.238
11.957
31.093
1.00
36.44
C

ATOM
3159
C
VAL
C
27
−13.852
11.980
29.680
1.00
39.79
C

ATOM
3160
O
VAL
C
27
−14.259
10.814
29.740
1.00
43.34
O

ATOM
3161
N
ALA
C
28
−14.446
12.940
28.965
1.00
39.95
N

ATOM
3162
CA
ALA
C
28
−15.662
12.683
28.208
1.00
38.82
C

ATOM
3163
CB
ALA
C
28
−16.892
13.312
28.945
1.00
40.51
C

ATOM
3164
C
ALA
C
28
−15.580
13.170
26.768
1.00
38.84
O

ATOM
3165
O
ALA
C
28
−14.921
14.150
26.459
1.00
36.76
O

ATOM
3166
N
GLY
C
29
−16.265
12.476
25.869
1.00
37.58
N

ATOM
3167
CA
GLY
C
29
−16.310
12.920
24.499
1.00
37.35
C

ATOM
3168
C
GLY
C
29
−17.299
12.113
23.720
1.00
39.23
C

ATOM
3169
O
GLY
C
29
−18.238
11.536
24.291
1.00
35.21
O

ATOM
3170
N
ARG
C
30
−17.077
12.092
22.409
1.00
35.56
N

ATOM
3171
CA
ARG
C
30
−17.937
11.396
21.509
1.00
39.01
C

ATOM
3172
CB
ARG
C
30
−18.854
12.393
20.755
1.00
39.68
O

ATOM
3173
CG
ARG
C
30
−20.023
12.937
21.568
1.00
40.31
C

ATOM
3174
CD
ARG
C
30
−20.544
14.270
20.999
1.00
48.25
C

ATOM
3175
NE
ARG
C
30
−19.439
15.220
20.782
1.00
52.75
N

ATOM
3176
CZ
ARG
C
30
−19.400
16.150
19.821
1.00
62.04
C

ATOM
3177
NH1
ARG
C
30
−20.403
16.287
18.948
1.00
62.34
N

ATOM
3178
NH2
ARG
C
30
−18.353
16.955
19.725
1.00
55.14
N

ATOM
3179
C
ARG
C
30
−17.046
10.651
20.550
1.00
40.68
C

ATOM
3180
O
ARG
C
30
−15.918
11.062
20.289
1.00
41.03
O

ATOM
3181
N
VAL
C
31
−17.507
9.405
20.089
1.00
42.77
N

ATOM
3182
CA
VAL
C
31
−16.915
8.862
18.909
1.00
41.50
C

ATOM
3183
CB
VAL
C
31
−16.710
7.344
19.097
1.00
40.75
C

ATOM
3184
CG1
VAL
C
31
−16.164
6.715
17.816
1.00
42.20
C

ATOM
3185
CG2
VAL
C
31
−15.782
7.064
20.273
1.00
40.18
C

ATOM
3186
C
VAL
C
31
−17.910
9.134
17.766
1.00
43.48
C

ATOM
3187
O
VAL
C
31
−19.975
8.747
17.615
1.00
43.27
O

ATOM
3188
N
ILE
C
32
−17.453
9.840
16.749
1.00
46.43
N

ATOM
3189
CA
ILE
C
32
−18.345
10.323
15.715
1.00
48.26
C

ATOM
3190
CB
ILE
C
32
−18.251
11.866
15.545
1.00
49.24
C

ATOM
3191
CG1
ILE
C
32
−18.403
12.560
16.919
1.00
47.09
C

ATOM
3192
CD1
ILE
C
32
−18.057
14.053
10.893
1.00
45.10
C

ATOM
3193
CG2
ILE
C
32
−19.269
12.355
14.492
1.00
52.56
C

ATOM
3194
C
ILE
C
32
−18.037
9.559
14.417
1.00
51.45
C

ATOM
3195
O
ILE
C
32
−16.888
9.517
13.958
1.00
47.68
O

ATOM
3196
N
VAL
C
33
−19.084
8.947
13.851
1.00
52.85
N

ATOM
3197
CA
VAL
C
33
−18.933
7.007
12.756
1.00
55.77
C

ATOM
3198
CB
VAL
C
33
−19.371
6.548
13.135
1.00
55.11
C

ATOM
3199
CG1
VAL
C
33
−18.875
5.549
12.089
1.00
64.13
C

ATOM
3200
CG2
VAL
C
33
−18.844
6.130
14.489
1.00
58.09
C

ATOM
3201
C
VAL
C
33
−19.773
8.490
11.598
1.00
56.73
C

ATOM
3202
O
VAL
C
33
−20.937
8.874
11.786
1.00
56.06
O

ATOM
3203
N
GLU
C
34
−19.172
8.513
10.416
1.00
60.64
N

ATOM
3204
CA
GLU
C
34
−19.885
8.892
9.186
1.00
65.76
C

ATOM
3205
CB
GLU
C
34
−19.503
10.299
8.737
1.00
65.14
C

ATOM
3206
CG
GLU
C
34
−19.708
11.365
9.793
1.00
69.08
C

ATOM
3207
CD
GLU
C
34
−20.073
12.715
9.202
1.00
73.94
C

ATOM
3208
OE1
GLU
C
34
−19.828
12.031
7.992
1.00
75.08
O

ATOM
3209
OE2
GLU
C
34
−20.610
13.562
9.951
1.00
74.55
O

ATOM
3210
C
GLU
C
34
−19.620
7.903
8.058
1.00
68.45
C

ATOM
3211
O
GLU
C
34
−18.510
7.349
7.948
1.00
67.95
O

ATOM
3212
N
VAL
C
35
−20.660
7.673
7.245
1.00
70.92
N

ATOM
3213
CA
VAL
C
35
−20.562
6.823
6.060
1.00
72.44
C

ATOM
3214
CB
VAL
C
35
−21.298
5.450
6.221
1.00
72.89
C

ATOM
3215
CG1
VAL
C
35
−20.578
4.592
7.258
1.00
73.36
C

ATOM
3216
CG2
VAL
C
35
−22.776
5.620
6.568
1.00
71.53
C

ATOM
3217
C
VAL
C
35
−20.985
7.546
4.770
1.00
73.19
C

ATOM
3218
O
VAL
C
35
−21.804
6.470
4.797
1.00
67.87
O

ATOM
3219
N
CYS
C
36
−20.356
7.117
3.670
1.00
77.54
N

ATOM
3220
CA
CYS
C
36
−20.646
7.564
2.297
1.00
82.50
C

ATOM
3221
CB
CYS
C
36
−19.341
7.728
1.500
1.00
84.15
C

ATOM
3222
SG
CYS
C
36
−18.748
9.441
1.353
1.00
89.38
S

ATOM
3223
C
CYS
C
36
−21.560
9.579
1.564
1.00
83.15
C

ATOM
3224
O
CYS
C
36
−22.096
6.896
0.502
1.00
83.77
O

ATOM
3225
N
GLU
C
37
−21.715
5.388
2.143
1.00
84.05
N

ATOM
3226
CA
GLU
C
37
−22.529
4.305
1.596
1.00
84.45
C

ATOM
3227
CB
GLU
C
37
−21.682
3.463
0.643
1.00
84.99
C

ATOM
3228
CG
GLU
C
37
−21.938
1.953
0.639
1.00
87.14
C

ATOM
3229
CD
GLU
C
37
−20.696
1.180
0.237
1.00
91.73
C

ATOM
3230
OE1
GLU
C
37
−19.818
1.756
−0.450
1.00
91.53
O

ATOM
3231
OE2
GLU
C
37
−20.589
−0.008
0.616
1.00
92.16
O

ATOM
3232
C
GLU
C
37
−23.126
3.465
2.737
1.00
85.77
O

ATOM
3233
O
GLU
C
37
−22.456
3.205
3.749
1.00
86.67
O

ATOM
3234
N
VAL
C
38
−24.393
3.081
2.572
1.00
84.92
N

ATOM
3235
CA
VAL
C
38
−25.146
2.262
3.532
1.00
84.76
C

ATOM
3236
CB
VAL
C
38
−26.456
1.691
2.890
1.00
85.58
C

ATOM
3237
CG1
VAL
C
38
−27.365
1.055
3.950
1.00
84.47
C

ATOM
3238
CG2
VAL
C
38
−27.215
2.778
2.104
1.00
86.14
C

ATOM
3239
C
VAL
C
38
−24.301
1.112
4.100
1.00
85.03
C

ATOM
3240
O
VAL
C
38
−23.655
0.367
3.345
1.00
85.04
O

ATOM
3241
N
THR
C
39
−24.295
0.988
5.431
1.00
83.61
N

ATOM
3242
CA
THR
C
39
−23.494
−0.033
6.124
1.00
82.26
C

ATOM
3243
CB
THR
C
39
−22.036
0.452
6.365
1.00
82.40
C

ATOM
3244
OG1
THR
C
39
−21.510
−0.139
7.562
1.00
81.21
O

ATOM
3245
OG2
THR
C
39
−21.994
1.944
6.521
1.00
82.12
C

ATOM
3246
C
THR
C
39
−24.115
−0.509
7.443
1.00
81.51
C

ATOM
3247
O
THR
C
39
−24.803
0.254
8.121
1.00
82.81
O

ATOM
3248
N
ARG
C
40
−23.872
−1.773
7.787
1.00
79.72
N

ATOM
3249
CA
ARG
C
40
−24.233
−2.323
9.102
1.00
78.85
C

ATOM
3250
CB
ARG
C
40
−24.523
−3.800
8.976
1.00
78.59
C

ATOM
3251
CG
ARG
C
40
−25.594
−4.277
10.042
1.00
82.55
C

ATOM
3252
CD
ARG
C
40
−26.200
−5.599
9.637
1.00
91.79
C

ATOM
3253
NE
ARG
C
40
−27.537
−5.780
10.215
1.00
97.19
N

ATOM
3254
CZ
ARG
C
40
−28.184
−6.944
10.275
1.00
97.18
C

ATOM
3255
NH1
ARG
C
40
−27.628
−8.057
9.804
1.00
96.07
N

ATOM
3256
NH2
ARG
C
40
−29.389
−6.994
10.820
1.00
95.35
N

ATOM
3257
C
ARG
C
40
−23.066
−2.156
10.095
1.00
76.10
C

ATOM
3258
O
ARG
C
40
−21.906
−2.076
9.680
1.00
77.78
O

ATOM
3259
N
VAL
C
41
−23.363
−2.104
11.939
1.00
71.83
N

ATOM
3260
CA
VAL
C
41
−22.309
−1.945
12.396
1.00
67.96
C

ATOM
3261
CB
VAL
C
41
−22.165
−0.467
12.823
1.00
60.29
C

ATOM
3262
CG1
VAL
C
41
−21.184
−0.337
13.980
1.00
61.98
C

ATOM
3263
CG2
VAL
C
41
−21.750
0.415
11.633
1.00
66.02
C

ATOM
3264
C
VAL
C
41
−22.514
−2.844
13.620
1.00
67.68
C

ATOM
3265
O
VAL
C
41
−23.452
−2.661
14.390
1.00
67.18
O

ATOM
3266
N
LYS
C
42
−21.634
−3.822
13.792
1.00
66.59
N

ATOM
3267
CA
LYS
C
42
−21.730
−4.742
14.926
1.00
66.79
C

ATOM
3268
CB
LYS
C
42
−20.754
−5.919
14.758
1.00
66.86
C

ATOM
3269
CG
LYS
C
42
−20.640
−6.854
15.995
1.00
72.12
C

ATOM
3270
CD
LYS
C
42
−19.690
−8.040
15.761
1.00
78.71
C

ATOM
3271
CC
LYS
C
42
−20.345
−9.123
14.889
1.00
87.05
C

ATOM
3272
NZ
LYS
C
42
−19.469
−10.323
14.687
1.00
91.82
N

ATOM
3273
C
LYS
C
42
−21.525
−4.034
16.278
1.00
66.12
C

ATOM
3274
O
LYS
C
42
−22.190
−4.357
17.277
1.00
63.50
O

ATOM
3275
N
ALA
C
43
−20.597
−3.073
16.295
1.00
65.30
N

ATOM
3276
CA
ALA
C
43
−20.229
−2.356
17.499
1.00
62.84
C

ATOM
3277
CB
ALA
C
43
−19.461
−3.292
18.471
1.00
64.37
C

ATOM
3278
C
ALA
C
43
−19.408
−1.092
17.232
1.00
62.32
O

ATOM
3279
O
ALA
C
43
−18.838
−0.904
16.146
1.00
61.69
O

ATOM
3280
N
VAL
C
44
−19.416
−0.126
18.240
1.00
60.62
N

ATOM
3281
CA
VAL
C
44
−18.365
0.764
18.486
1.00
55.42
C

ATOM
3282
CB
VAL
C
44
−18.812
2.214
18.216
1.00
55.10
C

ATOM
3283
CG1
VAL
C
44
−17.767
3.210
18.656
1.00
51.27
C

ATOM
3284
CG2
VAL
C
44
−19.023
2.400
16.750
1.00
40.57
C

ATOM
3285
C
VAL
C
44
−17.899
0.544
19.907
1.00
56.64
C

ATOM
3286
O
VAL
C
44
−18.699
0.578
20.850
1.00
56.85
O

ATOM
3287
N
ARG
C
45
−16.601
0.262
20.044
1.00
54.60
N

ATOM
3288
CA
ARG
C
45
−15.962
0.118
21.347
1.00
56.03
C

ATOM
3289
CB
ARG
C
45
−15.359
−1.284
21.528
1.00
56.29
C

ATOM
3290
CG
ARG
C
45
−16.387
−2.420
21.528
1.00
59.71
C

ATOM
3291
CD
ARG
C
45
−15.754
−3.786
21.290
1.00
60.98
C

ATOM
3292
NE
ARG
C
45
−15.003
−3.829
20.030
1.00
65.00
N

ATOM
3293
CZ
ARG
C
45
−13.707
−4.132
19.919
1.00
64.04
C

ATOM
3294
NH1
ARG
C
45
−12.984
−4.453
20.995
1.00
58.19
N

ATOM
3295
NH2
ARG
C
45
−13.136
−4.140
18.714
1.00
62.31
N

ATOM
3296
C
ARG
C
45
−14.870
1.170
21.470
1.00
53.46
C

ATOM
3297
O
ARG
C
45
−14.375
1.687
20.467
1.00
49.10
O

ATOM
3298
N
ILE
C
46
−14.562
1.508
22.711
1.00
52.79
N

ATOM
3299
CA
ILE
C
46
−13.364
2.243
23.028
1.00
52.71
C

ATOM
3300
CB
ILE
C
46
−13.663
3.613
23.691
1.00
49.34
C

ATOM
3301
CG1
ILE
C
46
−14.570
3.450
24.913
1.00
45.97
C

ATOM
3302
CD1
ILE
C
46
−14.436
4.648
25.906
1.00
53.75
C

ATOM
3303
CG2
ILE
C
46
−14.228
4.582
22.659
1.00
42.09
C

ATOM
3304
C
ILE
C
46
−12.468
1.458
23.962
1.00
52.51
C

ATOM
3305
O
ILE
C
46
−12.900
0.646
24.780
1.00
54.82
O

ATOM
3306
N
LEU
C
47
−11.174
1.745
23.869
1.00
51.57
N

ATOM
3307
CA
LEU
C
47
−10.226
1.434
24.949
1.00
46.35
C

ATOM
3308
CB
LEU
C
47
−9.239
0.377
24.464
1.00
49.67
C

ATOM
3309
CG
LEU
C
47
−8.012
0.091
25.293
1.00
51.79
C

ATOM
3310
CD1
LEU
C
47
−8.321
−0.728
26.566
1.00
56.90
C

ATOM
3311
CD2
LEU
C
47
−6.978
−0.605
24.394
1.00
62.20
C

ATOM
3312
C
LEU
C
47
−9.485
2.714
25.388
1.00
44.94
C

ATOM
3313
O
LEU
C
47
−9.011
3.475
24.551
1.00
44.59
O

ATOM
3314
N
ALA
C
48
−9.422
2.973
26.688
1.00
45.90
N

ATOM
3315
CA
ALA
C
48
−8.664
4.110
27.181
1.00
46.82
C

ATOM
3316
CB
ALA
C
48
9.512
5.060
27.964
1.00
41.84
C

ATOM
3317
C
ALA
C
48
−7.540
3.621
28.057
1.00
48.88
C

ATOM
3318
O
ALA
C
48
−7.766
2.949
29.054
1.00
52.48
O

ATOM
3319
N
CYS
C
49
−6.337
4.040
27.760
1.00
48.32
N

ATOM
3320
CA
CYS
C
49
−5.157
3.557
28.452
1.00
46.25
C

ATOM
3321
CB
CYS
C
49
−4.328
2.638
27.554
1.00
49.58
C

ATOM
3322
SG
CYS
C
49
−5.025
0.979
27.279
1.00
66.18
S

ATOM
3323
C
CYS
C
49
−4.281
4.689
28.874
1.00
43.09
C

ATOM
3324
O
CYS
C
49
−4.221
5.735
28.226
1.00
40.87
O

ATOM
3325
N
GLY
C
50
−3.528
4.445
29.933
1.00
39.81
N

ATOM
3326
CA
GLY
C
50
−2.595
5.401
30.434
1.00
38.52
C

ATOM
3327
C
GLY
C
50
−1.460
4.527
30.870
1.00
41.98
C

ATOM
3328
O
GLY
C
50
−1.618
3.712
31.783
1.00
39.07
O

ATOM
3329
N
VAL
C
51
−0.325
4.667
30.221
1.00
43.24
N

ATOM
3330
CA
VAL
C
51
0.848
3.865
30.611
1.00
43.18
C

ATOM
3331
CB
VAL
C
51
0.981
2.594
29.760
1.00
45.10
O

ATOM
3332
CG1
VAL
C
51
1.107
2.951
28.271
1.00
18.12
C

ATOM
3333
CG2
VAL
C
51
2.198
1.713
30.250
1.00
45.26
C

ATOM
3334
C
VAL
C
51
2.137
4.666
30.637
1.00
42.07
C

ATOM
3335
O
VAL
C
51
2.387
5.499
29.758
1.00
42.65
O

ATOM
3336
N
ALA
C
52
2.945
4.413
31.670
1.00
42.49
N

ATOM
3337
CA
ALA
C
52
4.292
4.986
31.817
1.00
42.70
C

ATOM
3338
CB
ALA
C
52
4.449
5.673
33.151
1.00
44.67
C

ATOM
3339
C
ALA
C
52
5.328
3.882
31.678
1.00
46.52
C

ATOM
3340
O
ALA
C
52
5.094
2.744
32.100
1.00
42.47
O

ATOM
3341
N
LYS
C
53
6.440
4.205
31.021
1.00
47.16
N

ATOM
3342
CA
LYS
C
53
7.590
3.300
30.924
1.00
51.46
C

ATOM
3343
CB
LYS
C
53
7.734
2.770
29.513
1.00
49.07
C

ATOM
3344
CG
LYS
C
53
6.458
2.250
28.959
1.00
56.95
C

ATOM
3345
CD
LYS
C
53
6.668
1.390
27.732
1.00
66.19
C

ATOM
3346
CE
LYS
C
53
5.385
0.671
27.347
1.00
68.42
C

ATOM
3347
NZ
LYS
C
53
4.468
1.538
26.537
1.00
75.62
N

ATOM
3348
C
LYS
C
53
8.811
4.103
31.270
1.00
54.40
C

ATOM
3349
O
LYS
C
53
9.060
5.143
30.652
1.00
58.74
O

ATOM
3350
N
VAL
C
54
9.540
3.656
32.282
1.00
51.83
N

ATOM
3351
CA
VAL
C
54
10.798
4.271
32.681
1.00
52.63
C

ATOM
3352
CB
VAL
C
54
10.834
4.549
34.207
1.00
49.38
C

ATOM
3353
CG1
VAL
C
54
12.011
5.414
34.608
1.00
62.21
C

ATOM
3354
CG2
VAL
C
54
9.543
5.243
34.044
1.00
84.77
C

ATOM
3355
C
VAL
C
54
11.858
3.263
32.208
1.00
50.79
C

ATOM
3356
O
VAL
C
54
11.706
2.061
32.397
1.00
49.46
O

ATOM
3357
N
LEU
C
55
12.874
3.755
31.507
1.00
50.50
N

ATOM
3358
CA
LEU
C
55
13.875
2.917
30.889
1.00
48.88
C

ATOM
3359
CB
LEU
C
55
13.622
2.923
29.381
1.00
54.01
C

ATOM
3360
CG
LEU
C
55
13.985
1.722
28.500
1.00
61.51
C

ATOM
3361
CD1
LEU
C
55
13.160
0.503
28.913
1.00
65.62
C

ATOM
3362
CD2
LEU
C
55
13.696
2.047
27.036
1.00
58.27
C

ATOM
3363
C
LEU
C
55
15.176
3.641
31.190
1.00
48.34
C

ATOM
3364
O
LEU
C
55
15.204
4.870
31.088
1.00
48.58
O

ATOM
3365
N
TRP
C
56
16.215
2.914
31.620
1.00
48.74
N

ATOM
3366
CA
TRP
C
56
17.577
3.473
31.848
1.00
42.84
C

ATOM
3367
CB
TRP
C
56
17.745
4.202
33.222
1.00
42.65
C

ATOM
3368
CG
TRP
C
56
17.714
3.321
34.476
1.00
44.11
C

ATOM
3369
CD1
TRP
C
56
18.796
2.938
35.261
1.00
42.20
C

ATOM
3370
NE1
TRP
C
56
18.358
2.136
36.288
1.00
41.34
N

ATOM
3371
CE2
TRP
C
56
16.996
2.017
36.229
1.00
46.73
C

ATOM
3372
CD2
TRP
C
56
16.549
2.756
35.110
1.00
42.65
C

ATOM
3373
CE3
TRP
C
56
15.181
2.777
34.820
1.00
42.73
C

ATOM
3374
CZ3
TRP
C
56
14.313
2.075
35.649
1.00
53.89
C

ATOM
3375
CH2
TRP
C
56
14.798
1.357
36.761
1.00
45.08
C

ATOM
3376
CZ2
TRP
C
56
16.118
1.337
37.075
1.00
44.62
C

ATOM
3377
C
TRP
C
56
18.620
2.365
31.721
1.00
43.99
C

ATOM
3378
O
TRP
C
56
18.275
1.191
31.773
1.00
40.68
O

ATOM
3379
N
MET
C
57
19.884
2.755
31.578
1.00
44.19
N

ATOM
3380
CA
MET
C
57
21.011
1.813
31.496
1.00
46.31
C

ATOM
3381
CB
MET
C
57
22.012
2.213
30.384
1.00
48.75
C

ATOM
3382
CG
MET
C
57
21.487
2.181
28.963
1.00
39.57
C

ATOM
3383
SD
MET
C
57
20.873
0.576
28.472
1.00
48.86
S

ATOM
3384
CE
MET
C
57
22.358
−0.379
28.720
1.00
38.91
C

ATOM
3385
C
MET
C
57
21.740
1.826
32.826
1.00
45.43
C

ATOM
3386
O
MET
C
57
22.091
2.893
33.327
1.00
48.81
O

ATOM
3387
N
GLN
C
58
21.928
0.654
33.424
1.00
43.43
N

ATOM
3388
CA
GLN
C
58
22.818
0.534
34.581
1.00
47.14
C

ATOM
3389
CB
GLN
C
58
22.135
−0.246
35.722
1.00
50.35
C

ATOM
3390
CG
GLN
C
58
22.534
0.176
37.163
1.00
49.39
C

ATOM
3391
CD
GLN
C
58
21.854
1.496
37.609
1.00
69.33
C

ATOM
3392
OE1
GLN
C
58
20.595
1.623
37.678
1.00
61.66
O

ATOM
3393
NE2
GLN
C
58
22.691
2.475
37.938
1.00
34.58
N

ATOM
3394
C
GLN
C
58
24.048
−0.188
34.053
1.00
43.45
C

ATOM
3395
O
GLN
C
58
24.023
−1.396
33.816
1.00
44.53
O

ATOM
3396
N
GLY
C
59
25.102
0.566
33.783
1.00
44.93
N

ATOM
3397
CA
GLY
C
59
26.254
0.010
33.076
1.00
42.33
C

ATOM
3398
C
GLY
C
59
25.806
−0.465
31.723
1.00
42.76
C

ATOM
3399
O
GLY
C
59
25.148
0.281
30.981
1.00
45.21
O

ATOM
3400
N
SER
C
60
26.104
−1.718
31.394
1.00
43.76
N

ATOM
3401
CA
SER
C
60
25.664
−2.272
30.110
1.00
46.44
C

ATOM
3402
CB
SER
C
60
26.603
−3.371
29.676
1.00
46.96
O

ATOM
3403
CG
SER
C
60
26.536
−4.449
30.579
1.00
46.38
O

ATOM
3404
C
SER
C
60
24.274
−2.874
30.112
1.00
46.95
C

ATOM
3405
O
SER
C
60
23.844
−3.446
29.091
1.00
43.75
O

ATOM
3406
N
GLN
C
61
23.584
−2.786
31.250
1.00
44.80
N

ATOM
3407
CA
GLN
C
61
22.290
−3.458
31.429
1.00
45.07
C

ATOM
3408
CB
GLN
C
61
22.299
−4.207
32.765
1.00
49.30
C

ATOM
3409
CG
GLN
C
61
21.020
−5.015
33.046
1.00
54.65
C

ATOM
3410
CD
GLN
C
61
21.184
−6.490
32.720
1.00
63.33
C

ATOM
3411
OE1
GLN
C
61
20.330
−7.099
32.074
1.00
70.56
O

ATOM
3412
NE2
GLN
C
61
22.295
−7.068
33.165
1.00
74.58
N

ATOM
3413
C
GLN
C
61
21.129
−2.451
31.439
1.00
43.21
C

ATOM
3414
O
GLN
C
61
21.156
−1.483
32.239
1.00
41.38
O

ATOM
3415
N
GLN
C
62
20.124
−2.700
30.503
1.00
30.73
N

ATOM
3416
CA
GLN
C
62
18.903
−1.872
30.535
1.00
43.63
C

ATOM
3417
CB
GLN
C
62
18.187
−2.006
29.184
1.00
43.61
C

ATOM
3418
CG
GLN
C
62
17.085
−0.958
29.003
1.00
44.69
C

ATOM
3419
CD
GLN
C
62
16.425
−1.003
27.648
1.00
58.40
C

ATOM
3420
OE1
GLN
C
62
16.563
−1.967
26.896
1.00
68.10
O

ATOM
3421
NE2
GLN
C
62
15.706
0.048
27.324
1.00
57.71
N

ATOM
3422
C
GLN
C
62
17.955
−2.318
31.625
1.00
43.58
C

ATOM
3423
O
GLN
C
62
17.813
−3.522
31.860
1.00
45.75
O

ATOM
3424
N
CYS
C
63
17.318
−1.363
32.303
1.00
42.05
N

ATOM
3425
CA
CYS
C
63
16.350
−1.696
33.354
1.00
40.83
C

ATOM
3426
CB
CYS
C
63
16.877
−1.330
34.759
1.00
43.32
C

ATOM
3427
SG
CYS
C
63
18.352
−2.344
35.088
1.00
53.55
S

ATOM
3428
C
CYS
C
63
15.079
−0.970
32.992
1.00
43.09
C

ATOM
3429
O
CYS
C
63
15.147
0.113
32.403
1.00
41.15
O

ATOM
3430
N
LYS
C
64
13.943
−1.599
33.279
1.00
38.94
N

ATOM
3431
CA
LYS
C
64
12.636
−1.098
32.817
1.00
40.22
C

ATOM
3432
CB
LYS
C
64
12.266
−1.817
31.513
1.00
43.20
C

ATOM
3433
CG
LYS
C
64
10.928
−1.367
30.871
1.00
57.55
C

ATOM
3434
CD
LYS
C
64
10.531
−2.367
29.776
1.00
61.10
C

ATOM
3435
CE
LYS
C
64
9.741
−1.718
28.645
1.00
73.07
C

ATOM
3436
NZ
LYS
C
64
9.498
−2.716
27.573
1.00
72.63
N

ATOM
3437
C
LYS
C
64
11.550
−1.295
33.881
1.00
39.04
C

ATOM
3438
O
LYS
C
64
11.443
−2.380
34.472
1.00
33.86
O

ATOM
3439
N
GLN
C
65
10.785
−0.233
34.174
1.00
40.81
N

ATOM
3440
CA
GLN
C
65
9.550
−0.321
34.992
1.00
42.27
C

ATOM
3441
CB
GLN
C
65
9.628
0.498
36.288
1.00
42.00
C

ATOM
3442
CG
GLN
C
65
8.310
0.488
37.137
1.00
42.32
C

ATOM
3443
CD
GLN
C
65
8.445
1.022
38.580
1.00
47.37
C

ATOM
3444
OE1
GLN
C
65
9.418
1.691
38.933
1.00
53.21
O

ATOM
3445
NE2
GLN
C
65
7.453
0.708
39.424
1.00
48.30
N

ATOM
3446
C
GLN
C
65
8.394
0.192
34.133
1.00
44.49
C

ATOM
3447
O
GLN
C
65
8.407
1.341
33.706
1.00
45.68
O

ATOM
3448
N
THR
C
66
7.438
−0.688
33.848
1.00
42.48
N

ATOM
3449
CA
THR
C
66
6.207
−0.317
33.151
1.00
43.06
C

ATOM
3450
CB
THR
C
66
5.854
−1.357
32.102
1.00
44.16
C

ATOM
3451
OG1
THR
C
66
6.931
−1.440
31.149
1.00
53.19
O

ATOM
3452
CG2
THR
C
66
4.577
−0.965
31.379
1.00
52.34
C

ATOM
3453
C
THR
C
66
5.089
−0.170
34.193
1.00
42.53
C

ATOM
3454
O
THR
C
66
4.942
−1.025
35.078
1.00
43.10
O

ATOM
3455
N
SER
C
67
4.333
0.922
34.104
1.00
41.20
N

ATOM
3456
CA
SER
C
67
3.257
1.242
35.068
1.00
38.37
C

ATOM
3457
CB
SER
C
67
3.674
2.384
35.966
1.00
41.02
C

ATOM
3458
OG
SER
C
67
4.775
2.043
36.771
1.00
44.84
O

ATOM
3459
C
SER
C
67
1.985
1.686
34.321
1.00
43.68
C

ATOM
3460
O
SER
C
67
1.977
2.750
33.696
1.00
44.95
O

ATOM
3461
N
GLU
C
68
0.926
0.880
34.411
1.00
39.06
N

ATOM
3462
CA
GLU
C
68
−0.407
1.226
33.953
1.00
44.87
C

ATOM
3463
CB
GLU
C
68
−1.196
−0.046
33.791
1.00
43.72
C

ATOM
3464
CG
GLU
C
68
−1.099
−0.618
32.454
1.00
47.90
C

ATOM
3465
CD
GLU
C
68
−1.923
−1.862
32.345
1.00
58.91
C

ATOM
3466
OE1
GLU
C
68
−3.058
−1.799
31.821
1.00
49.46
O

ATOM
3467
OE2
GLU
C
68
−1.431
−2.907
32.810
1.00
46.88
O

ATOM
3468
C
GLU
C
68
−1.121
2.126
34.957
1.00
45.44
C

ATOM
3469
O
GLU
C
68
−1.139
1.857
35.147
1.00
46.96
O

ATOM
3470
N
TYR
C
69
−1.717
3.205
34.473
1.00
48.88
N

ATOM
3471
CA
TYR
C
69
−2.383
4.145
35.349
1.00
46.49
C

ATOM
3472
CB
TYR
C
69
−1.817
5.551
35.192
1.00
47.13
C

ATOM
3473
CG
TYR
C
69
−0.489
5.700
35.806
1.00
50.59
C

ATOM
3474
CD1
TYR
C
69
0.662
5.747
35.010
1.00
41.95
C

ATOM
3475
CE1
TYR
C
69
1.862
5.867
35.555
1.00
49.55
C

ATOM
3476
CZ
TYR
C
69
1.981
5.946
36.927
1.00
49.94
C

ATOM
3477
OH
TYR
C
69
3.206
6.078
37.442
1.00
49.08
O

ATOM
3478
CE2
TYR
C
69
0.891
5.924
37.756
1.00
52.96
C

ATOM
3479
CD2
TYR
C
69
−0.353
5.785
37.183
1.00
47.86
C

ATOM
3480
C
TYR
C
69
−3.856
4.177
35.082
1.00
46.11
C

ATOM
3481
O
TYR
C
69
−4.622
4.580
35.954
1.00
47.93
O

ATOM
3482
N
LEU
C
70
−4.236
3.737
33.887
1.00
45.21
N

ATOM
3483
CA
LEU
C
70
−5.598
3.770
33.420
1.00
46.93
C

ATOM
3484
CB
LEU
C
70
−5.849
5.023
32.585
1.00
42.41
C

ATOM
3485
CG
LEU
C
70
−7.176
5.116
31.832
1.00
46.43
C

ATOM
3486
CD1
LEU
C
70
−8.385
5.207
32.838
1.00
46.88
C

ATOM
3487
CD2
LEU
C
70
−7.173
6.303
30.853
1.00
38.47
C

ATOM
3488
C
LEU
C
70
−5.841
2.586
32.520
1.00
48.45
C

ATOM
3489
O
LEU
C
70
−5.165
2.402
31.500
1.00
48.54
O

ATOM
3490
N
ARG
C
71
−6.843
1.791
32.857
1.00
47.95
N

ATOM
3491
CA
ARG
C
71
−7.221
0.719
31.988
1.00
50.31
C

ATOM
3492
CB
ARG
C
71
−6.499
−0.584
32.287
1.00
53.53
C

ATOM
3493
CG
ARG
C
71
−6.740
−1.686
31.241
1.00
50.79
C

ATOM
3494
CD
ARG
C
71
−6.548
−3.062
31.869
1.00
56.47
C

ATOM
3495
NE
ARG
C
71
−5.197
−3.260
32.407
1.00
54.31
N

ATOM
3496
CZ
ARG
C
71
−4.846
−4.252
33.216
1.00
48.96
C

ATOM
3497
NH1
ARG
C
71
−5.740
−5.125
33.637
1.00
49.28
N

ATOM
3498
NH2
ARG
C
71
−3.590
−4.357
33.635
1.00
50.71
N

ATOM
3499
C
ARG
C
71
−8.719
0.578
32.110
1.00
56.67
C

ATOM
3500
O
ARG
C
71
−9.220
0.103
33.135
1.00
55.62
C

ATOM
3501
N
TYR
C
72
−9.392
1.041
31.058
1.00
54.65
N

ATOM
3502
CA
TYR
C
72
−10.814
1.270
31.014
1.00
56.86
C

ATOM
3503
CB
TYR
C
72
−11.142
2.774
31.208
1.00
54.24
C

ATOM
3504
CG
TYR
C
72
−12.595
3.104
30.923
1.00
60.53
C

ATOM
3505
CD1
TYR
C
72
−13.547
3.082
31.950
1.00
55.41
C

ATOM
3506
CE1
TYR
C
72
−14.911
3.637
31.689
1.00
68.10
C

ATOM
3507
CZ
TYR
C
72
−15.312
3.664
30.393
1.00
61.64
C

ATOM
3508
OH
TYR
C
72
−16.640
3.948
30.135
1.00
71.73
C

ATOM
3509
CE2
TYR
C
72
−14.379
3.685
29.356
1.00
63.24
C

ATOM
3510
CD2
TYR
C
72
−13.029
3.393
29.619
1.00
51.09
C

ATOM
3511
C
TYR
C
72
−11.260
0.820
29.643
1.00
55.68
C

ATOM
3512
O
TYR
C
72
−10.721
1.238
28.631
1.00
57.62
O

ATOM
3513
N
GLU
C
73
−12.267
−0.037
29.605
1.00
58.82
N

ATOM
3514
CA
GLU
C
73
−12.822
−0.467
28.341
1.00
57.79
C

ATOM
3515
CB
GLU
C
73
−12.324
−1.873
27.999
1.00
58.95
C

ATOM
3516
CG
GLU
C
73
−12.148
−2.122
26.499
1.00
68.83
C

ATOM
3517
CD
GLU
C
73
−11.610
−3.515
26.164
1.00
78.62
C

ATOM
3518
OE1
GLU
C
73
−11.269
−4.276
27.103
1.00
82.31
O

ATOM
3519
OE2
GLU
C
73
−11.529
−3.846
24.951
1.00
81.65
O

ATOM
3520
C
GLU
C
73
−14.356
−0.395
28.440
1.00
58.34
C

ATOM
3521
O
GLU
C
73
−14.914
−0.325
29.545
1.00
58.89
O

ATOM
3522
N
ASP
C
74
−15.028
−0.373
27.293
1.00
53.97
N

ATOM
3523
CA
ASP
C
74
−15.479
−0.118
27.251
1.00
56.74
C

ATOM
3524
CB
ASP
C
74
−16.786
1.298
27.734
1.00
57.21
C

ATOM
3525
CG
ASP
C
74
−18.143
1.411
28.369
1.00
51.87
C

ATOM
3526
OD1
ASP
C
74
−18.621
0.410
28.936
1.00
57.95
O

ATOM
3527
OD2
ASP
C
74
−18.725
2.512
28.313
1.00
72.14
O

ATOM
3528
C
ASP
C
74
−16.995
−0.275
25.839
1.00
54.36
C

ATOM
3529
O
ASP
C
74
−15.268
−0.0.46
24.890
1.00
55.77
O

ATOM
3530
N
THR
C
75
−19.240
−0.716
25.699
1.00
56.77
N

ATOM
3531
CA
THR
C
75
−18.894
−0.754
24.385
1.00
53.10
C

ATOM
3532
CB
THR
C
75
−19.567
−2.115
24.149
1.00
56.86
C

ATOM
3533
CG1
THR
C
75
−18.606
−3.157
24.421
1.00
55.05
O

ATOM
3534
CG2
THR
C
75
−20.115
−2.233
22.697
1.00
56.75
C

ATOM
3535
C
THR
C
75
−19.926
0.358
24.369
1.00
51.17
C

ATOM
3536
O
THR
C
75
−20.676
0.530
25.340
1.00
47.93
O

ATOM
3537
N
LEU
C
76
−19.963
1.112
23.267
1.00
51.59
N

ATOM
3538
CA
LEU
C
76
−20.769
2.341
23.168
1.00
47.02
C

ATOM
3539
CG
LEU
C
76
−19.950
3.471
22.499
1.00
46.11
C

ATOM
3540
CG
LEU
C
76
−18.558
3.816
23.082
1.00
37.59
C

ATOM
3541
CD1
LEU
C
76
−17.999
5.020
22.382
1.00
37.62
C

ATOM
3542
CD2
LEU
C
76
−18.589
4.011
25.596
1.00
47.57
C

ATOM
3543
C
LEU
C
76
−22.116
2.160
22.430
1.00
47.06
C

ATOM
3544
O
LEU
C
76
−22.219
1.832
21.483
1.00
45.16
O

ATOM
3545
N
LEU
C
77
−23.108
2.948
22.839
1.00
47.83
N

ATOM
3546
CA
LEU
C
77
−24.464
2.891
22.241
1.00
49.50
C

ATOM
3547
CB
LEU
C
77
−25.448
2.400
23.292
1.00
51.51
C

ATOM
3548
CG
LEU
C
77
−25.308
1.021
23.939
1.00
55.20
C

ATOM
3549
CD1
LEU
C
77
−26.503
0.833
24.855
1.00
57.67
C

ATOM
3550
CD2
LEU
C
77
−25.243
−0.128
22.890
1.00
00.19
O

ATOM
3551
C
LEU
C
77
−24.986
4.230
21.732
1.00
00.19
C

ATOM
3552
O
LEU
C
77
−24.725
5.262
22.338
1.00
46.32
O

ATOM
3553
N
LEU
C
78
−25.785
4.205
20.549
1.00
47.97
N

ATOM
3554
CA
LEU
C
78
−26.576
5.356
20.284
1.00
47.78
C

ATOM
3555
CB
LEU
C
78
−26.870
5.379
18.777
1.00
47.87
C

ATOM
3556
CG
LEU
C
78
−25.855
5.597
17.855
1.00
49.56
C

ATOM
3557
CD1
LEU
C
78
−26.015
5.181
16.482
1.00
55.90
C

ATOM
3558
CD2
LEU
C
78
−25.505
7.038
17.800
1.00
5.60
C

ATOM
3559
C
LEU
C
78
−27.875
5.330
21.065
1.00
49.50
C

ATOM
3560
O
LEU
C
78
−28.356
4.250
21.455
1.00
50.41
O

ATOM
3561
N
GLU
C
79
−20.459
0.510
21.275
1.00
50.71
N

ATOM
3562
CA
GLU
C
79
−29.802
6.632
21.815
1.00
50.64
C

ATOM
3563
CB
GLU
C
79
−30.253
8.097
21.874
1.00
54.43
C

ATOM
3564
CG
GLU
C
79
−29.955
8.839
23.171
1.00
61.45
C

ATOM
3565
CD
GLU
C
79
−30.748
10.152
23.282
1.00
69.89
C

ATOM
3566
OE1
GLU
C
79
−30.385
11.144
22.595
1.00
69.48
O

ATOM
3567
OE2
GLU
C
79
−31.738
10.186
24.054
1.00
73.51
O

ATOM
3568
C
GLU
C
79
−30.792
5.844
20.947
1.00
45.05
C

ATOM
3569
O
GLU
C
79
−31.740
5.285
21.547
1.00
43.61
O

ATOM
3570
N
ASP
C
80
−30.555
5.790
19.542
1.00
43.88
N

ATOM
3571
CA
ASP
C
80
−31.465
5.100
18.701
1.00
44.98
C

ATOM
3572
CB
ASP
C
80
−31.308
5.683
17.204
1.00
45.23
C

ATOM
3573
CG
ASP
C
80
−32.489
5.371
16.407
1.00
39.05
C

ATOM
3574
OD1
ASP
C
80
−33.626
5.537
16.878
1.00
30.82
O

ATOM
3575
OD2
ASP
C
80
−32.280
4.950
15.248
1.00
42.86
O

ATOM
3576
C
ASP
C
80
−31.327
3.562
18.564
1.00
43.23
C

ATOM
3577
O
ASP
C
80
−31.915
2.886
17.822
1.00
42.99
O

ATOM
3578
N
GLN
C
81
−30.584
3.028
19.620
1.00
45.64
N

ATOM
3579
CA
GLN
C
81
−30.343
1.599
19.783
1.00
45.09
C

ATOM
3580
CB
GLN
C
81
−28.839
1.337
19.810
1.00
43.40
C

ATOM
3581
CG
GLN
C
81
−28.110
1.229
18.499
1.00
45.37
C

ATOM
3582
CD
GLN
C
81
−26.663
0.755
18.732
1.00
59.05
C

ATOM
3583
OE1
GLN
C
81
−25.779
1.534
19.132
1.00
60.50
O

ATOM
3584
ND2
GLN
C
81
26.423
0.535
10.495
1.00
61.20
N

ATOM
3585
C
GLN
C
81
−30.883
1.169
21.148
1.00
41.23
C

ATOM
3586
O
GLN
C
81
−30.121
0.171
21.980
1.00
44.05
O

ATOM
3587
N
PRO
C
82
−32.186
1.286
21.378
1.00
40.02
N

ATOM
3588
CA
PRO
C
82
−32.652
1.096
22.758
1.00
41.45
C

ATOM
3589
CB
PRO
C
82
−34.052
1.670
22.715
1.00
37.82
C

ATOM
3590
CG
PRO
C
82
−34.564
1.307
21.302
1.00
40.01
C

ATOM
3591
CD
PRO
C
82
−33.289
1.574
20.454
1.00
42.31
C

ATOM
3592
C
PRO
C
82
−32.654
−0.341
23.341
1.00
42.43
C

ATOM
3593
O
PRO
C
82
−32.750
−0.507
24.565
1.00
43.25
O

ATOM
3594
N
THR
O
83
−32.546
−1.368
22.497
1.00
40.37
N

ATOM
3595
CA
THR
C
83
−32.519
−2.752
23.000
1.00
38.94
C

ATOM
3596
CB
THR
C
83
−33.255
−3.711
22.062
1.00
39.93
C

ATOM
3597
OG1
THR
C
83
−32.537
−3.784
20.836
1.00
39.55
O

ATOM
3598
OG2
THR
C
83
−34.699
−3.216
21.790
1.00
30.47
C

ATOM
3599
C
THR
C
83
−31.062
−3.198
23.274
1.00
43.97
C

ATOM
3600
O
THR
C
83
−31.785
−4.336
23.677
1.00
44.14
O

ATOM
3601
N
GLY
C
84
−30.138
−2.280
23.045
1.00
45.65
N

ATOM
3602
CA
GLY
C
84
−28.822
−2.415
23.562
1.00
49.92
C

ATOM
3603
C
GLY
C
84
−27.754
−2.951
22.659
1.00
53.51
C

ATOM
3604
O
GLY
C
84
−27.856
−2.881
21.445
1.00
50.82
O

ATOM
3605
N
GLU
C
85
−26.851
−3.542
23.326
1.00
59.49
N

ATOM
3606
CA
GLU
C
85
−25.425
−3.804
22.798
1.00
65.68
C

ATOM
3607
CB
GLU
C
85
−24.554
−4.436
23.944
1.00
67.95
C

ATOM
3608
CG
GLU
C
85
−25.024
−4.043
25.354
1.00
70.37
C

ATOM
3609
CD
GLU
C
85
−24.365
−2.789
25.844
1.00
69.76
C

ATOM
3610
OE1
GLU
C
85
−23.126
−2.682
25.708
1.00
75.52
O

ATOM
3611
OE2
GLU
C
85
−25.079
−1.916
26.369
1.00
67.88
O

ATOM
3612
C
GLU
C
85
−25.399
−4.914
21.069
1.00
66.82
C

ATOM
3613
O
GLU
C
85
−24.398
−5.021
20.964
1.00
64.26
O

ATOM
3614
N
ASN
C
86
−26.475
−5.686
21.532
1.00
70.57
N

ATOM
3615
CA
ASN
C
86
−25.610
−5.606
20.402
1.00
73.50
C

ATOM
3616
CB
ASN
C
86
−27.295
−7.904
20.806
1.00
73.68
C

ATOM
3617
CG
ASN
C
86
−26.520
−9.112
20.354
1.00
74.29
C

ATOM
3618
OD1
ASN
C
86
−25.588
−9.542
21.033
1.00
77.00
O

ATOM
3619
ND2
ASN
C
86
−26.885
−9.664
19.202
1.00
74.10
N

ATOM
3620
C
ASN
C
86
−27.330
−6.000
19.210
1.00
73.76
C

ATOM
3621
O
ASN
C
86
−26.938
−5.239
18.067
1.00
75.63
O

ATOM
3622
N
GLU
C
87
−28.388
−5.235
19.464
1.00
74.55
N

ATOM
3623
CA
GLU
C
87
−29.053
−4.504
18.385
1.00
73.73
C

ATOM
3624
CB
GLU
C
87
−29.892
−3.338
18.942
1.00
75.01
C

ATOM
3625
CG
GLU
C
87
−30.595
−2.488
17.872
1.00
70.62
C

ATOM
3626
CD
GLU
C
87
−31.088
−1.554
18.426
1.00
75.83
C

ATOM
3627
OE1
GLU
C
87
−32.095
−1.699
19.599
1.00
75.83
C

ATOM
3628
OE2
GLU
C
87
−32.141
−0.673
17.664
1.00
72.00
O

ATOM
3629
C
GLU
C
87
−27.995
−3.986
17.409
1.00
73.29
C

ATOM
3630
O
GLU
C
87
−27.211
−3.093
17.750
1.00
73.65
O

ATOM
3631
N
MET
C
88
−27.940
−4.587
16.222
1.00
72.26
N

ATOM
3632
CA
MET
C
88
−27.110
−4.075
15.133
1.00
72.39
C

ATOM
3633
CB
MET
C
88
−27.288
−4.911
13.858
1.00
74.50
C

ATOM
3634
CG
MET
C
88
−26.562
−6.254
13.857
1.00
78.17
C

ATOM
3635
SD
MET
C
88
−24.864
−6.114
13.267
1.00
79.56
S

ATOM
3636
CE
MET
C
88
−24.350
−7.839
13.226
1.00
77.50
C

ATOM
3637
C
MET
C
88
−27.533
−2.551
14.852
1.00
71.05
C

ATOM
3638
C
MET
C
88
−28.634
−2.243
15.218
1.00
72.12
O

ATOM
3639
N
VAL
C
89
−26.668
−1.892
14.197
1.00
69.29
N

ATOM
3640
CA
VAL
C
89
−26.996
−0.508
13.858
1.00
67.49
C

ATOM
3641
CB
VAL
C
89
−26.198
−0.521
14.721
1.00
65.84
O

ATOM
3642
CG1
VAL
C
89
−24.820
−0.040
15.081
1.00
65.56
C

ATOM
3643
CG2
VAL
C
89
−26.118
1.907
14.048
1.00
60.21
C

ATOM
3644
C
VAL
C
89
−26.806
−0.302
12.369
1.00
66.65
C

ATOM
3645
O
VAL
C
89
−25.781
−0.664
11.809
1.00
66.06
C

ATOM
3646
N
ILE
C
90
−27.826
0.258
11.738
1.00
68.26
N

ATOM
3647
CA
ILE
C
90
−27.830
0.456
10.294
1.00
67.32
C

ATOM
3648
CB
ILE
C
90
−29.234
0.131
9.666
1.00
67.46
C

ATOM
3649
CG1
ILE
C
90
−29.436
−1.392
9.590
1.00
67.42
C

ATOM
3650
CD1
ILE
C
90
−28.482
−2.137
8.635
1.00
68.09
C

ATOM
3651
CG2
ILE
C
90
−29.416
0.798
8.302
1.00
65.65
C

ATOM
3652
C
ILE
C
90
−27.386
1.890
10.019
1.00
66.04
C

ATOM
3653
C
ILE
C
90
−28.157
2.844
10.173
1.00
64.13
O

ATOM
3654
N
MET
C
91
−26.119
2.028
9.652
1.00
66.32
N

ATOM
3655
CA
MET
C
91
−25.564
3.345
9.368
1.00
67.84
C

ATOM
3656
CB
MET
C
91
−24.084
3.442
9.754
1.00
65.45
C

ATOM
3657
CG
MET
C
91
−23.812
3.407
11.249
1.00
62.80
C

ATOM
3658
SD
MET
C
91
−22.143
3.972
11.567
1.00
60.87
S

ATOM
3659
CE
MET
C
91
−22.189
5.588
10.767
1.00
44.66
C

ATOM
3660
C
MET
C
91
−25.735
3.678
7.903
1.00
69.75
C

ATOM
3661
O
MET
C
91
−25.165
3.002
7.030
1.00
69.68
O

ATOM
3662
N
ARG
C
92
−26.512
4.731
7.653
1.00
71.43
N

ATOM
3663
CA
ARG
C
92
−26.802
5.201
6.301
1.00
72.19
C

ATOM
3664
CB
ARG
C
92
−28.331
5.284
6.066
1.00
72.43
C

ATOM
3665
CG
ARG
C
92
−28.981
6.687
6.166
1.00
75.69
C

ATOM
3666
CD
ARG
C
92
−30.522
6.622
6.301
1.00
83.60
C

ATOM
3667
NE
ARG
C
92
−31.065
5.400
5.702
1.00
90.23
N

ATOM
3668
CZ
ARG
C
92
−31.374
4.299
6.387
1.00
89.09
C

ATOM
3669
NH1
ARG
C
92
−31.218
4.270
7.708
1.00
86.37
N

ATOM
3670
NH2
ARG
C
92
−31.843
3.231
5.751
1.00
83.05
N

ATOM
3671
C
ARG
C
92
−26.139
6.552
6.074
1.00
71.22
C

ATOM
3672
O
ARG
C
92
−26.038
7.352
7.010
1.00
70.94
O

ATOM
3673
N
PRO
C
93
−25.697
6.816
4.828
1.00
72.22
N

ATOM
3674
CA
PRO
C
93
−24.992
8.064
4.480
1.00
73.49
O

ATOM
3675
CB
PRO
C
93
−24.741
7.921
2.973
1.00
72.95
C

ATOM
3676
CG
PRO
C
93
−24.837
6.472
2.695
1.00
68.28
C

ATOM
3677
CD
PRO
C
93
−25.829
5.923
3.662
1.00
71.30
C

ATOM
3678
C
PRO
C
93
−25.784
9.343
4.776
1.00
73.88
C

ATOM
3679
O
PRO
C
93
26.992
9.281
4.934
1.00
74.29
O

ATOM
3680
N
GLY
C
94
−25.142
10.461
4.730
1.00
74.77
N

ATOM
3681
CA
GLY
C
94
−25.984
11.579
4.749
1.00
75.40
C

ATOM
3682
C
GLY
C
94
−25.912
12.366
5.987
1.00
76.26
C

ATOM
3683
O
GLY
C
94
−25.849
13.552
5.745
1.00
76.45
O

ATOM
3684
N
ASN
C
95
−25.930
11.723
7.184
1.00
75.63
N

ATOM
3685
CA
ASN
C
95
−25.930
12.317
8.554
1.00
75.71
C

ATOM
3686
CB
ASN
C
95
−27.281
12.113
9.246
1.00
76.88
C

ATOM
3687
CG
ASN
C
95
−28.218
11.180
8.490
1.00
77.97
C

ATOM
3688
CD1
ASN
C
95
−29.062
11.644
7.750
1.00
73.11
O

ATOM
3689
ND2
ASN
C
95
−28.097
9.574
8.710
1.00
71.70
N

ATOM
3690
C
ASN
C
95
−24.850
11.855
9.587
1.00
75.60
C

ATOM
3691
O
ASN
C
95
−24.217
10.289
9.396
1.00
75.29
O

ATOM
3692
N
LYS
C
96
−24.697
12.588
10.698
1.00
72.19
N

ATOM
3693
CA
LYS
C
96
−23.658
12.348
11.741
1.00
68.57
C

ATOM
3694
CB
LYS
C
96
−23.363
13.682
12.402
1.00
70.33
C

ATOM
3695
CG
LYS
C
96
−22.039
14.297
12.097
1.00
72.45
C

ATOM
3696
CD
LYS
C
96
−22.143
15.807
12.214
1.00
78.98
C

ATOM
3697
CE
LYS
C
96
−20.934
16.417
12.886
1.00
81.93
C

ATOM
3698
NZ
LYS
C
96
−20.328
17.508
12.088
1.00
80.79
N

ATOM
3699
C
LYS
C
96
−23.948
11.394
12.919
1.00
63.62
C

ATOM
3700
O
LYS
C
96
−24.799
11.693
13.722
1.00
62.79
O

ATOM
3701
N
TYR
C
97
−23.193
10.311
13.068
1.00
57.59
N

ATOM
3702
CA
TYR
C
97
−23.318
9.422
14.231
1.00
53.20
C

ATOM
3703
CB
TYR
C
97
−23.381
7.694
13.810
1.00
58.29
C

ATOM
3704
CG
TYR
C
97
−24.388
7.620
12.715
1.00
58.47
C

ATOM
3705
CD1
TYR
C
97
−25.621
7.110
13.024
1.00
60.04
C

ATOM
3706
CE1
TYR
C
97
−26.510
6.774
12.055
1.00
68.57
C

ATOM
3707
CZ
TYR
C
97
−26.182
6.935
10.751
1.00
68.85
C

ATOM
3708
OH
TYR
C
97
−27.084
6.587
9.784
1.00
69.10
O

ATOM
3709
CE2
TYR
C
97
−24.952
7.417
10.414
1.00
66.07
C

ATOM
3710
CD2
TYR
C
97
−24.065
7.743
11.390
1.00
56.14
C

ATOM
3711
C
TYR
C
97
−22.388
9.627
15.501
1.00
48.07
C

ATOM
3712
O
TYR
C
97
−21.060
9.522
15.527
1.00
44.79
C

ATOM
3713
N
GLU
C
98
−23.110
9.944
15.581
1.00
46.66
N

ATOM
3714
CA
GLU
C
98
−22.319
10.330
17.768
1.00
48.12
C

ATOM
3715
CB
GLU
C
98
−22.757
11.720
18.222
1.00
47.74
C

ATOM
3716
CG
GLU
C
98
−22.396
12.864
17.284
1.00
46.02
C

ATOM
3717
CD
GLU
C
98
−22.952
14.206
17.772
1.00
59.93
C

ATOM
3718
OE1
GLU
C
98
−23.308
14.343
18.970
1.00
64.64
O

ATOM
3719
OE2
GLU
C
98
−23.031
15.149
16.959
1.00
70.23
O

ATOM
3720
C
GLU
C
98
−22.521
0.343
18.041
1.00
40.07
C

ATOM
3721
O
GLU
C
98
−23.627
9.250
19.504
1.00
48.69
O

ATOM
3722
N
TYR
C
99
−21.473
8.506
19.296
1.00
46.18
C

ATOM
3723
CA
TYR
C
99
−21.515
7.719
20.467
1.00
46.18
C

ATOM
3724
CB
TYR
C
99
−20.749
6.444
20.159
1.00
45.27
C

ATOM
3725
CG
TYR
C
99
−21.360
5.523
19.145
1.00
53.41
C

ATOM
3726
CD1
TYR
C
99
−21.833
4.273
19.533
1.00
57.23
C

ATOM
3727
CE1
TYR
C
99
−22.376
3.390
18.610
1.00
54.80
C

ATOM
3728
CZ
TYR
C
99
−22.450
3.744
17.298
1.00
53.09
C

ATOM
3729
OH
TYR
C
99
−22.975
2.831
16.417
1.00
63.00
O

ATOM
3730
CE2
TYR
C
99
−21.980
4.982
16.863
1.00
62.74
C

ATOM
3731
CD2
TYR
C
99
−21.423
5.863
17.793
1.00
55.28
C

ATOM
3732
C
TYR
C
99
−20.810
8.391
21.651
1.00
42.71
C

ATOM
3733
O
TYR
C
99
−19.592
8.531
21.630
1.00
39.72
O

ATOM
3734
N
LYS
C
100
−21.544
8.777
22.688
1.00
40.01
N

ATOM
3735
CA
LYS
C
100
−20.907
9.372
23.866
1.00
36.59
C

ATOM
3736
CB
LYS
C
100
−21.947
9.993
24.770
1.00
38.44
C

ATOM
3737
CG
LYS
C
100
−22.654
11.197
24.193
1.00
43.20
C

ATOM
3738
CD
LYS
C
100
−23.808
11.613
25.099
1.00
56.75
C

ATOM
3739
CE
LYS
C
100
−24.632
12.738
24.470
1.00
70.94
N

ATOM
3740
NZ
LYS
C
100
−26.099
12.620
24.766
1.00
70.94
N

ATOM
3741
C
LYS
C
100
−20.078
8.359
24.583
1.00
39.07
C

ATOM
3742
O
LYS
C
100
−20.465
7.219
24.804
1.00
39.66
O

ATOM
3743
N
PHE
C
101
−18.961
8.813
25.253
1.00
35.71
N

ATOM
3744
CA
PHE
C
101
−18.166
8.024
26.207
1.00
39.01
C

ATOM
3745
CB
PHE
C
101
−16.946
7.351
25.541
1.00
36.69
C

ATOM
3746
CG
PHE
C
101
−15.888
8.316
25.068
1.00
37.39
C

ATOM
3747
CD1
PHE
C
101
−14.914
8.812
25.950
1.00
40.50
C

ATOM
3748
CE1
PHE
C
101
−13.941
9.704
25.518
1.00
34.71
C

ATOM
3749
CZ
PHE
C
101
−13.910
10.100
24.181
1.00
31.04
C

ATOM
3750
CE2
PHE
C
101
−14.846
9.599
23.301
1.00
32.20
C

ATOM
3751
CD2
PHE
C
101
−15.837
8.713
23.740
1.00
41.47
C

ATOM
3752
C
PHE
C
101
−17.714
8.898
27.353
1.00
36.64
C

ATOM
3753
O
PHE
C
101
−17.619
10.121
27.221
1.00
37.88
O

ATOM
3754
N
GLY
C
102
−17.397
8.268
28.490
1.00
40.53
N

ATOM
3755
CA
GLY
C
102
−16.912
9.029
29.615
1.00
35.18
C

ATOM
3756
C
GLY
C
102
−16.250
8.077
30.580
1.00
44.92
C

ATOM
3757
O
GLY
C
102
−16.686
6.932
30.764
1.00
45.83
O

ATOM
3758
N
PHE
C
103
−15.170
8.528
31.187
1.00
45.05
N

ATOM
3759
CA
PHE
C
103
−14.551
7.698
32.212
1.00
44.11
C

ATOM
3760
CB
PHE
C
103
−13.668
6.647
31.551
1.00
39.85
C

ATOM
3761
CG
PHE
C
103
−12.610
7.226
30.649
1.00
38.84
C

ATOM
3762
CD1
PHE
C
103
−11.410
7.706
31.186
1.00
39.86
C

ATOM
3763
CE1
PHE
C
103
−10.453
8.238
30.361
1.00
40.16
C

ATOM
3764
CZ
PHE
C
103
−10.689
8.805
29.002
1.00
32.49
C

ATOM
3765
CE2
PHE
C
103
−11.872
7.842
28.453
1.00
37.43
C

ATOM
3766
CD2
PHE
C
103
−12.817
7.306
29.283
1.00
38.74
C

ATOM
3767
C
PHE
C
103
−13.792
8.583
33.161
1.00
47.12
C

ATOM
3768
O
PHE
C
103
−13.525
9.757
32.885
1.00
45.82
O

ATOM
3769
N
GLU
C
104
−13.461
8.025
34.310
1.00
51.98
C

ATOM
3770
CA
GLU
C
104
−12.811
8.788
35.319
1.00
50.08
C

ATOM
3771
CB
GLU
C
104
−13.564
8.709
36.644
1.00
54.53
C

ATOM
3772
CG
GLU
C
104
−14.352
9.978
36.930
1.00
61.71
C

ATOM
3773
CD
GLU
C
104
−15.844
9.746
37.239
1.00
82.59
C

ATOM
3774
OE1
GLU
C
104
−16.517
10.715
37.676
1.00
86.12
O

ATOM
3775
OE2
GLU
C
104
−16.354
8.616
37.035
1.00
85.87
O

ATOM
3776
C
GLU
C
104
−11.383
8.308
35.408
1.00
50.62
C

ATOM
3777
O
GLU
C
104
−11.070
7.111
35.230
1.00
51.19
O

ATOM
3778
N
LEU
C
105
−10.497
9.272
35.586
1.00
47.23
N

ATOM
3779
CA
LEU
C
105
−9.131
8.946
35.827
1.00
43.60
C

ATOM
3780
CB
LEU
C
105
−8.246
10.143
35.540
1.00
44.09
C

ATOM
3781
CG
LEU
C
105
−8.190
10.574
34.081
1.00
37.23
C

ATOM
3782
CD1
LEU
C
105
−7.328
11.773
34.081
1.00
37.23
C

ATOM
3783
CD2
LEU
C
105
−7.648
9.490
33.199
1.00
37.86
C

ATOM
3784
C
LEU
C
105
−9.052
8.536
37.298
1.00
46.39
C

ATOM
3785
O
LEU
C
105
−9.704
9.160
38.150
1.00
41.41
O

ATOM
3786
N
PRO
C
106
−8.248
7.499
37.588
1.00
50.11
N

ATOM
3787
CA
PRO
C
106
−8.111
6.919
38.936
1.00
53.07
C

ATOM
3788
CB
PRO
C
106
−7.116
5.778
38.736
1.00
52.52
C

ATOM
3789
CG
PRO
C
106
−6.379
6.142
37.488
1.00
57.74
C

ATOM
3790
CD
PRO
C
106
−7.332
6.872
36.617
1.00
50.83
C

ATOM
3791
C
PRO
C
106
−7.521
7.950
39.899
1.00
53.47
C

ATOM
3792
O
PRO
C
106
−6.877
8.904
39.469
1.00
51.90
O

ATOM
3793
N
GLN
C
107
−7.758
7.749
41.192
1.00
58.52
N

ATOM
3794
CA
GLN
C
107
−7.388
8.725
42.220
1.00
60.66
C

ATOM
3795
CB
GLN
C
107
−7.960
8.289
43.580
1.00
63.31
C

ATOM
3796
CG
GLN
C
107
−9.447
8.603
43.777
1.00
65.07
C

ATOM
3797
CD
GLN
C
107
−9.800
10.043
43.424
1.00
65.28
C

ATOM
3798
OE1
GLN
C
107
−9.088
10.980
43.795
1.00
73.67
O

ATOM
3799
NE2
GLN
C
107
−10.900
10.222
42.701
1.00
61.89
N

ATOM
3800
C
GLN
C
107
−5.893
8.912
42.388
1.00
61.28
C

ATOM
3801
O
GLN
C
107
−5.435
9.994
42.757
1.00
62.00
O

ATOM
3802
N
GLY
C
108
−5.136
7.857
42.141
1.00
62.18
N

ATOM
3803
CA
GLY
C
108
−3.807
7.757
42.741
1.00
67.63
C

ATOM
3804
C
GLY
C
108
−2.937
8.932
42.373
1.00
66.87
C

ATOM
3805
O
GLY
C
108
−3.447
9.946
41.888
1.00
64.90
O

ATOM
3806
N
PRO
C
109
−1.620
8.818
42.627
1.00
66.47
N

ATOM
3807
CA
PRO
C
109
−0.764
9.634
41.805
1.00
63.66
C

ATOM
3808
CB
PRO
C
109
0.569
9.665
42.574
1.00
65.42
C

ATOM
3809
CG
PRO
C
109
0.565
8.459
43.451
1.00
64.64
C

ATOM
3810
CD
PRO
C
109
−0.878
8.014
43.622
1.00
68.90
C

ATOM
3811
C
PRO
C
109
−0.645
8.911
40.476
1.00
63.34
C

ATOM
3812
O
PRO
C
109
−0.214
7.750
40.447
1.00
66.44
O

ATOM
3813
N
LEU
C
110
−1.095
9.568
39.408
1.00
58.93
N

ATOM
3814
CA
LEU
C
110
−0.902
9.122
38.033
1.00
57.19
C

ATOM
3815
CB
LEU
C
110
−1.896
9.778
37.084
1.00
56.26
C

ATOM
3816
CG
LEU
C
110
−3.267
10.304
37.471
1.00
59.72
C

ATOM
3817
CD1
LEU
C
110
−3.551
11.537
36.505
1.00
52.01
C

ATOM
3818
CD2
LEU
C
110
4.310
9.238
37.271
1.00
54.00
C

ATOM
3819
C
LEU
C
110
0.434
9.642
37.569
1.00
55.23
C

ATOM
3820
O
LEU
C
110
0.901
10.658
38.083
1.00
56.73
O

ATOM
3821
N
GLY
C
111
1.029
8.996
36.563
1.00
52.28
N

ATOM
3822
CA
GLY
C
111
2.290
9.473
36.028
1.00
46.84
C

ATOM
3823
C
GLY
C
111
1.903
10.673
35.189
1.00
51.77
C

ATOM
3824
O
GLY
C
111
0.770
10.731
34.648
1.00
52.29
O

ATOM
3825
N
THR
C
112
2.809
11.633
35.044
1.00
49.97
N

ATOM
3826
CA
THR
C
112
3.267
12.787
34.167
1.00
53.97
C

ATOM
3827
CB
THR
C
112
3.267
14.031
34.636
1.00
52.16
C

ATOM
3828
OG1
THR
C
112
2.993
14.234
36.016
1.00
56.58
O

ATOM
3829
CG2
THR
C
112
2.835
15.282
33.868
1.00
50.46
C

ATOM
3830
C
THR
C
112
2.871
12.465
32.707
1.00
55.13
C

ATOM
3831
O
THR
C
112
3.854
11.755
32.454
1.00
56.86
O

ATOM
3832
N
SER
C
113
2.071
12.973
31.766
1.00
53.54
N

ATOM
3833
CA
SER
C
113
2.316
12.860
30.331
1.00
52.55
C

ATOM
3834
CB
SER
C
113
1.277
13.692
29.552
1.00
50.49
C

ATOM
3835
OG
SER
C
113
0.017
13.063
29.470
1.00
43.62
O

ATOM
3836
C
SER
C
113
3.721
13.380
29.987
1.00
51.42
O

ATOM
3837
O
SER
C
113
3.989
14.540
30.217
1.00
53.10
O

ATOM
3838
N
PHE
C
114
4.580
12.516
29.393
1.00
54.24
N

ATOM
3839
CA
PHE
C
114
6.001
14.742
29.155
1.00
55.99
C

ATOM
3840
CB
PHE
C
114
6.770
12.221
30.394
1.00
60.16
C

ATOM
3841
CG
PHE
C
114
8.179
12.738
30.560
1.00
68.71
C

ATOM
3842
CD1
PHE
C
114
8.473
14.103
30.504
1.00
81.11
C

ATOM
3843
CE1
PHE
C
114
9.798
14.567
30.704
1.00
88.56
C

ATOM
3844
CZ
PHE
C
114
10.824
13.656
31.006
1.00
86.95
C

ATOM
3845
CE2
PHE
C
114
10.532
12.298
31.097
1.00
85.46
C

ATOM
3846
CD2
PHE
C
114
9.211
11.847
30.885
1.00
81.16
C

ATOM
3847
C
PHE
C
114
6.511
11.990
27.914
1.00
57.58
C

ATOM
3848
O
PHE
C
114
6.055
10.890
27.599
1.00
51.51
C

ATOM
3849
N
LYS
C
115
7.452
12.618
27.209
1.00
62.41
N

ATOM
3850
CA
LYS
C
115
6.376
11.966
26.277
1.00
66.46
C

ATOM
3851
CB
LYS
C
115
8.004
12.213
24.811
1.00
68.81
C

ATOM
3852
CG
LYS
C
115
7.275
11.064
24.161
1.00
69.71
C

ATOM
3853
CD
LYS
C
115
5.774
11.260
24.216
1.00
76.03
C

ATOM
3854
CE
LYS
C
115
5.045
9.931
24.364
1.00
71.82
C

ATOM
3855
NZ
LYS
C
115
5.606
8.825
23.515
1.00
73.50
N

ATOM
3856
C
LYS
C
115
9.688
12.644
26.599
1.00
68.48
C

ATOM
3857
O
LYS
C
115
9.825
13.858
26.447
1.00
69.24
O

ATOM
3858
N
GLY
C
116
10.640
11.883
27.114
1.00
70.07
N

ATOM
3859
CA
GLY
C
116
11.823
12.507
27.653
1.00
71.00
C

ATOM
3860
C
GLY
C
116
12.927
11.539
27.990
1.00
72.07
C

ATOM
3861
O
GLY
C
116
13.116
10.512
27.313
1.00
71.55
O

ATOM
3862
N
LYS
C
117
13.633
11.888
29.059
1.00
71.24
N

ATOM
3863
CA
LYS
C
117
14.922
11.314
29.416
1.00
70.74
C

ATOM
3864
CB
LYS
C
117
15.414
12.020
30.682
1.00
73.68
C

ATOM
3865
CG
LYS
C
117
14.291
12.290
31.720
1.00
77.27
C

ATOM
3866
CD
LYS
C
117
14.519
13.284
32.502
1.00
78.70
C

ATOM
3867
CE
LYS
C
117
14.168
14.808
31.656
1.00
82.04
C

ATOM
3868
NZ
LYS
C
117
13.725
15.966
32.486
1.00
82.76
N

ATOM
3869
C
LYS
C
117
14.880
9.793
29.610
1.00
68.11
C

ATOM
3870
O
LYS
C
117
15.202
9.014
28.701
1.00
66.37
O

ATOM
3871
N
TYR
C
118
14.464
9.384
30.798
1.00
66.14
N

ATOM
3872
CA
TYR
C
118
14.352
7.984
31.116
1.00
65.00
C

ATOM
3873
CB
TYR
C
118
14.838
7.738
32.567
1.00
61.92
C

ATOM
3874
CG
TYR
C
118
10.246
8.253
32.885
1.00
61.12
C

ATOM
3875
CD1
TYR
C
118
17.378
7.548
32.481
1.00
55.78
C

ATOM
3876
CE1
TYR
C
118
18.676
8.022
32.772
1.00
64.27
C

ATOM
3877
CZ
TYR
C
118
18.834
9.211
33.474
1.00
57.11
C

ATOM
3878
OH
TYR
C
118
20.092
9.684
33.749
1.00
64.39
O

ATOM
3879
CE2
TYR
C
118
17.724
9.925
33.894
1.00
53.52
C

ATOM
3880
CD2
TYR
C
118
16.444
9.444
33.606
1.00
46.26
C

ATOM
3881
C
TYR
C
118
12.897
7.498
30.838
1.00
63.75
C

ATOM
3882
O
TYR
C
118
12.200
7.058
31.739
1.00
66.15
O

ATOM
3883
N
GLY
C
119
12.443
7.634
29.588
1.00
64.78
N

ATOM
3884
CA
GLY
C
119
11.148
7.092
29.110
1.00
63.16
C

ATOM
3885
C
GLY
C
119
9.906
7.980
28.968
1.00
63.16
C

ATOM
3886
O
GLY
C
119
9.970
9.215
29.164
1.00
62.47
O

ATOM
3887
N
SER
C
120
8.761
7.343
28.688
1.00
59.76
N

ATOM
3888
CA
SER
C
120
7.500
8.018
28.307
1.00
54.00
C

ATOM
3889
CB
SER
C
120
7.156
7.601
26.889
1.00
54.13
C

ATOM
3890
OG
SER
C
120
6.678
6.270
26.861
1.00
60.12
O

ATOM
3891
C
SER
C
120
6.265
7.676
29.212
1.00
51.77
C

ATOM
3892
O
SER
C
120
6.187
6.752
29.904
1.00
49.33
O

ATOM
3893
N
VAL
C
121
5.304
8.697
29.187
1.00
49.70
N

ATOM
3894
CA
VAL
C
121
3.958
8.467
29.757
1.00
44.03
C

ATOM
3895
CB
VAL
C
121
3.736
9.248
31.103
1.00
45.02
C

ATOM
3896
CG1
VAL
C
121
2.394
8.926
31.704
1.00
40.64
C

ATOM
3897
CG2
VAL
C
121
4.802
8.888
32.120
1.00
49.74
C

ATOM
3898
C
VAL
C
121
2.966
8.874
28.695
1.00
40.16
C

ATOM
3899
O
VAL
C
121
3.120
9.945
28.117
1.00
39.83
O

ATOM
3900
N
ASP
C
122
2.017
7.998
28.360
1.00
35.02
N

ATOM
3901
CA
ASP
C
122
1.030
8.275
27.292
1.00
39.55
C

ATOM
3902
CB
ASP
C
122
1.291
7.403
26.057
1.00
42.15
C

ATOM
3903
CG
ASP
C
122
2.691
7.508
25.560
1.00
56.83
C

ATOM
3904
OD1
ASP
C
122
3.309
6.444
25.304
1.00
67.40
O

ATOM
3905
OD2
ASP
C
122
3.169
8.656
25.440
1.00
71.86
O

ATOM
3906
C
ASP
C
122
−0.354
7.890
27.724
1.00
38.97
C

ATOM
3907
O
ASP
C
122
−0.534
6.750
28.188
1.00
36.60
O

ATOM
3908
N
TYR
C
123
−1.315
8.813
27.546
1.00
37.76
N

ATOM
3909
CA
TYR
C
123
−2.753
8.510
27.693
1.00
35.79
C

ATOM
3910
CB
TYR
C
123
−3.392
9.418
28.740
1.00
35.27
C

ATOM
3911
CG
TYR
C
123
−2.949
9.176
30.162
1.00
33.53
C

ATOM
3912
CD1
TYR
C
123
−3.778
8.559
31.065
1.00
31.23
C

ATOM
3913
CE1
TYR
C
123
−3.383
8.383
32.385
1.00
30.54
C

ATOM
3914
CZ
TYR
C
123
−2.152
8.739
32.792
1.00
39.01
C

ATOM
3915
OH
TYR
C
123
−1.845
8.544
34.110
1.00
42.33
O

ATOM
3916
CE2
TYR
C
123
−1.261
9.365
31.912
1.00
36.50
C

ATOM
3917
CD2
TYR
C
123
−1.697
9.596
30.602
1.00
33.02
C

ATOM
3918
C
TYR
C
123
−3.448
8.694
26.375
1.00
35.44
C

ATOM
3919
O
TYR
C
123
−3.181
9.635
25.618
1.00
36.76
O

ATOM
3920
N
TRP
C
124
−4.382
7.821
26.072
1.00
33.44
N

ATOM
3921
CA
TRP
C
124
−5.033
7.906
24.792
1.00
33.01
C

ATOM
3922
CB
TRP
C
124
−4.140
7.354
23.647
1.00
39.56
C

ATOM
3923
CG
TRP
C
124
−3.384
6.054
23.933
1.00
48.05
C

ATOM
3924
CD1
TRP
C
124
−2.047
5.926
24.203
1.00
47.66
C

ATOM
3925
NE1
TRP
C
124
−1.716
4.603
27.374
1.00
43.71
N

ATOM
3926
CE2
TRP
C
124
−2.838
3.832
24.200
1.00
52.46
C

ATOM
3927
CD2
TRP
C
124
−8.912
4.707
23.906
1.00
48.92
C

ATOM
3928
CE3
TRP
C
124
−5.191
4.166
23.708
1.00
50.92
C

ATOM
3929
CZ3
TRP
C
124
−5.359
2.787
23.781
1.00
50.22
C

ATOM
3930
CH2
TRP
C
124
−4.263
1.936
24.051
1.00
52.82
C

ATOM
3931
CZ2
TRP
C
124
−2.995
2.440
24.258
1.00
50.32
C

ATOM
3932
C
TRP
C
124
−6.343
7.168
24.851
1.00
38.75
C

ATOM
3933
O
TRP
C
124
−6.567
6.358
25.768
1.00
39.84
O

ATOM
3934
N
VAL
C
125
−7.234
7.498
23.911
1.00
37.68
N

ATOM
3935
CA
VAL
C
125
−8.466
6.739
23.724
1.00
41.43
C

ATOM
3936
CB
VAL
C
125
−9.755
7.600
23.838
1.00
42.81
C

ATOM
3937
CG1
VAL
C
125
−11.036
6.767
23.483
1.00
35.12
C

ATOM
3938
CG2
VAL
C
125
−9.877
8.190
25.237
1.00
34.40
C

ATOM
3939
C
VAL
C
125
−8.379
6.185
22.316
1.00
43.20
C

ATOM
3940
O
VAL
C
125
−8.048
6.909
21.385
1.00
43.84
O

ATOM
3941
N
LYS
C
126
−8.668
4.893
22.199
1.00
42.30
N

ATOM
3942
CA
LYS
C
126
−8.699
4.175
20.951
1.00
43.27
C

ATOM
3943
CB
LYS
C
126
−7.865
2.904
21.134
1.00
44.77
C

ATOM
3944
CG
LYS
C
126
−7.179
2.381
19.888
1.00
57.40
C

ATOM
3945
CD
LYS
C
126
5.681
2.688
19.883
1.00
66.87
C

ATOM
3946
CE
LYS
C
126
−4.866
1.513
20.426
1.00
73.77
C

ATOM
3947
NZ
LYS
C
126
−3.498
1.428
19.825
1.00
64.15
N

ATOM
3948
C
LYS
C
126
−10.161
3.723
20.740
1.00
43.83
C

ATOM
3949
O
LYS
C
126
−10.745
3.120
21.655
1.00
44.39
O

ATOM
3950
N
ALA
C
127
−10.736
4.049
19.590
1.00
45.12
N

ATOM
3951
CA
ALA
C
127
−12.074
3.572
19.196
1.00
48.03
C

ATOM
3952
CB
ALA
C
127
−12.918
4.696
18.592
1.00
45.24
C

ATOM
3953
C
ALA
C
127
−11.920
2.478
18.176
1.00
52.69
C

ATOM
3954
O
ALA
C
127
−11.087
2.599
17.275
1.00
54.84
O

ATOM
3955
N
PHE
C
128
−12.726
1.424
18.325
1.00
55.40
N

ATOM
3956
CA
PHE
C
128
−12.803
0.306
17.378
1.00
58.97
C

ATOM
3957
CB
PHE
C
128
−12.559
−1.003
18.111
1.00
57.90
C

ATOM
3958
CG
PHE
C
128
−11.402
−0.957
19.047
1.00
58.86
C

ATOM
3959
CD1
PHE
C
128
−10.137
−1.314
18.615
1.00
64.77
C

ATOM
3960
CE1
PHE
C
128
−9.056
−1.268
19.478
1.00
59.89
C

ATOM
3961
CZ
PHE
C
128
−9.240
−0.886
20.794
1.00
59.18
C

ATOM
3962
CE2
PHE
C
128
−10.489
−0.520
21.237
1.00
60.32
C

ATOM
3963
CD2
PHE
C
128
−11.574
−0.567
20.365
1.00
61.85
C

ATOM
3964
C
PHE
C
128
−14.189
0.225
16.762
1.00
60.82
C

ATOM
3965
O
PHE
C
128
−15.203
0.248
17.469
1.00
63.15
O

ATOM
3966
N
LEU
C
129
−14.228
0.148
15.447
1.00
63.79
N

ATOM
3967
CA
LEU
C
129
−15.465
−0.052
14.711
1.00
65.95
C

ATOM
3968
CB
LEU
C
129
−15.469
0.868
13.486
1.00
63.07
C

ATOM
3969
CG
LEU
C
129
−16.693
0.978
12.587
1.00
69.19
C

ATOM
3970
CD1
LEU
C
129
−17.970
1.213
13.401
1.00
59.70
C

ATOM
3971
CD2
LEU
C
129
−16.482
2.083
11.541
1.00
63.82
C

ATOM
3972
C
LEU
C
129
−15.577
−1.540
14.318
1.00
68.44
C

ATOM
3973
O
LEU
C
129
−14.821
−2.023
13.483
1.00
69.13
O

ATOM
3974
N
ASP
C
130
−16.482
−2.276
14.962
1.00
70.37
N

ATOM
3975
CA
ASP
C
130
−16.692
−3.679
14.626
1.00
71.74
C

ATOM
3976
CB
ASP
C
130
−17.232
−4.462
15.823
1.00
70.66
C

ATOM
3977
CG
ASP
C
130
−16.217
−4.618
16.943
1.00
78.23
C

ATOM
3978
OD1
ASP
C
130
−16.652
−4.858
18.098
1.00
82.70
O

ATOM
3979
OD2
ASP
C
130
−14.996
−4.505
16.680
1.00
79.50
O

ATOM
3980
C
ASP
C
130
−17.693
−3.762
13.486
1.00
74.20
C

ATOM
3981
O
ASP
C
130
−18.684
−3.021
13.469
1.00
75.30
O

ATOM
3982
N
ARG
C
131
−17.449
−4.669
12.540
1.00
76.17
N

ATOM
3983
CA
ARG
C
131
−18.380
−4.886
11.420
1.00
76.30
C

ATOM
3984
CB
ARG
C
131
−17.945
−4.066
10.200
1.00
75.80
C

ATOM
3985
CG
ARG
C
131
−18.191
−2.584
10.340
1.00
70.29
C

ATOM
3986
CD
ARG
C
131
−17.360
−1.820
9.351
1.00
76.40
C

ATOM
3987
NE
ARG
C
131
−18.011
−1.639
8.052
1.00
78.25
N

ATOM
3988
CZ
ARG
C
131
−17.391
−1.211
6.947
1.00
80.59
C

ATOM
3989
NH1
ARG
C
131
−16.094
−0.930
6.964
1.00
70.89
N

ATOM
3990
NH2
ARG
C
131
−18.068
−1.073
5.811
1.00
80.56
N

ATOM
3991
C
ARG
C
131
−18.533
−6.379
11.054
1.00
78.00
C

ATOM
3992
O
ARG
C
131
−17.607
−7.170
11.290
1.00
78.21
O

ATOM
3993
N
PRO
C
132
−19.710
−6.772
10.490
1.00
79.28
N

ATOM
3994
CA
PRO
C
132
−19.876
−8.154
10.007
1.00
78.24
C

ATOM
3995
CB
PRO
C
132
−21.340
−8.212
8.564
1.00
77.47
C

ATOM
3996
CG
PRO
C
132
−21.993
−7.025
10.192
1.00
79.55
C

ATOM
3997
CD
PRO
C
132
−20.933
−5.976
10.275
1.00
78.50
C

ATOM
3998
C
PRO
C
132
−18.944
−8.477
8.834
1.00
78.36
C

ATOM
3999
O
PRO
C
132
−18.946
−7.788
7.787
1.00
76.51
O

ATOM
4000
N
SER
C
133
−18.126
−9.504
9.058
1.00
79.26
N

ATOM
4001
CA
SER
C
133
−17.239
−10.086
8.043
1.00
79.35
C

ATOM
4002
CB
SER
C
133
−18.039
−10.493
6.797
1.00
79.85
C

ATOM
4003
OG
SER
C
133
−19.109
−11.356
7.159
1.00
80.94
O

ATOM
4004
C
SER
C
133
−16.025
−9.222
7.684
1.00
77.80
C

ATOM
4005
O
SER
C
133
−15.148
−9.660
6.934
1.00
76.73
O

ATOM
4006
N
GLN
C
134
−15.974
−8.013
8.246
1.00
76.61
N

ATOM
4007
CA
GLN
C
134
−14.885
−7.078
7.996
1.00
76.16
C

ATOM
4008
CB
GLN
C
134
−15.429
−5.662
7.823
1.00
76.33
C

ATOM
4009
CC
GLN
C
134
−16.152
−5.428
6.511
1.00
79.07
C

ATOM
4010
CD
GLN
C
134
−15.203
−5.267
5.344
1.00
81.24
C

ATOM
4011
OE1
GLN
C
134
−15.376
−5.899
4.295
1.00
79.63
O

ATOM
4012
NE2
GLN
C
134
−14.191
−4.420
5.517
1.00
78.26
N

ATOM
4013
C
GLN
C
134
−13.859
−7.094
9.123
1.00
76.26
C

ATOM
4014
O
GLN
C
134
−14.221
−7.303
10.288
1.00
75.71
O

ATOM
4015
N
PRO
C
135
−12.567
−6.863
8.791
1.00
76.09
N

ATOM
4016
CA
PRO
C
135
−11.618
−6.648
9.879
1.00
74.38
C

ATOM
4017
CB
PRO
C
135
−10.285
−6.574
9.162
1.00
74.68
C

ATOM
4018
CG
PRO
C
135
−10.593
−6.130
7.777
1.00
75.69
C

ATOM
4019
CD
PRO
C
135
−11.922
−6.763
7.456
1.00
76.57
C

ATOM
4020
C
PRO
C
135
−11.975
−5.322
10.565
1.00
73.60
C

ATOM
4021
O
PRO
C
135
−12.457
−4.385
9.902
1.00
69.83
O

ATOM
4022
N
THR
C
136
−11.774
−5.261
11.881
1.00
73.11
N

ATOM
4023
CA
THR
C
136
−12.251
−4.120
12.699
1.00
71.79
C

ATOM
4024
CB
THR
C
136
−12.450
−4.478
14.161
1.00
71.46
C

ATOM
4025
OG1
THR
C
136
−11.213
−4.940
14.712
1.00
78.00
O

ATOM
4026
CG2
THR
C
136
−13.485
−5.589
14.323
1.00
74.15
C

ATOM
4027
C
THR
C
136
−11.296
−2.946
12.513
1.00
69.65
C

ATOM
4028
O
THR
C
136
−10.079
−3.116
12.576
1.00
69.99
O

ATOM
4029
N
GLN
C
137
−11.856
−1.762
12.292
1.00
65.70
N

ATOM
4030
CA
GLN
C
137
−11.062
−0.557
12.086
1.00
62.81
C

ATOM
4031
CB
GLN
C
137
−11.821
0.365
11.145
1.00
60.78
C

ATOM
4032
CG
GLN
C
137
−11.109
1.633
10.730
1.00
60.56
C

ATOM
4033
CD
GLN
C
137
−11.943
2.390
9.738
1.00
58.48
C

ATOM
4034
OE1
GLN
C
137
−12.949
1.876
9.277
1.00
61.61
O

ATOM
4035
NE2
GLN
C
137
−11.543
3.609
9.399
1.00
54.50
N

ATOM
4036
C
GLN
C
137
−10.740
0.140
13.421
1.00
61.52
C

ATOM
4037
O
GLN
C
137
−11.538
0.107
14.360
1.00
61.34
O

ATOM
4038
N
GLU
C
138
−9.575
0.798
13.479
1.00
59.66
N

ATOM
4039
CA
GLU
C
138
−9.123
1.566
14.648
1.00
57.00
C

ATOM
4040
CB
GLU
C
138
−7.767
1.045
15.095
1.00
59.68
C

ATOM
4041
CG
GLU
C
138
−7.795
−0.207
15.931
1.00
65.06
C

ATOM
4042
CD
GLU
C
138
−6.439
−0.490
16.520
1.00
67.77
C

ATOM
4043
OE1
GLU
C
138
−6.133
−1.683
16.74
1.00
69.71
O

ATOM
4044
OE2
GLU
C
138
−5.685
0.490
16.750
1.00
64.71
O

ATOM
4045
C
GLU
C
138
−8.948
3.068
14.409
1.00
56.06
C

ATOM
4046
O
GLU
C
138
−8.605
3.505
13.3.8
1.00
54.56
O

ATOM
4047
N
THR
C
139
−9.174
3.854
15.467
1.00
53.97
N

ATOM
4048
CA
THR
C
139
−8.722
5.252
15.513
1.00
49.82
C

ATOM
4049
CB
THR
C
139
−9.786
6.257
14.984
1.00
46.22
C

ATOM
4050
OG1
THR
C
139
−9.221
7.573
14.913
1.00
50.89
O

ATOM
4051
CG2
THR
C
139
−10.994
6.345
15.884
1.00
40.35
C

ATOM
4052
C
THR
C
139
−8.229
5.571
16.042
1.00
48.03
C

ATOM
4053
O
THR
C
139
−8.771
5.069
17.915
1.00
51.28
O

ATOM
4054
N
LYS
C
140
−7.198
6.401
17.053
1.00
47.20
N

ATOM
4055
CA
LYS
C
140
−6.576
6.715
18.349
1.00
74.91
C

ATOM
4056
CB
LYS
C
140
−5.236
5.996
18.459
1.00
48.26
C

ATOM
4057
CG
LYS
C
140
−4.366
6.402
19.623
1.00
50.60
C

ATOM
4058
CD
LYS
C
140
−3.201
5.484
19.693
1.00
57.68
C

ATOM
4059
CE
LYS
C
140
−2.037
6.149
20.377
1.00
58.00
C

ATOM
4060
NZ
LYS
C
140
−0.854
5.302
20.131
1.00
57.29
N

ATOM
4061
C
LYS
C
140
−6.370
8.212
18.491
1.00
47.40
C

ATOM
4062
O
LYS
C
140
−5.932
8.859
17.537
1.00
44.30
O

ATOM
4063
N
LYS
C
141
−6.736
8.755
19.658
1.00
44.30
N

ATOM
4064
CA
LYS
C
141
−6.420
10.134
20.007
1.00
39.71
C

ATOM
4065
CB
LYS
C
141
−7.547
11.028
19.840
1.00
4.028
C

ATOM
4066
CG
LYS
C
141
−7.258
12.452
19.511
1.00
39.99
C

ATOM
4067
CD
LYS
C
141
−8.460
13.305
19.292
1.00
42.55
C

ATOM
4068
CE
LYS
C
141
−8.529
13.740
17.861
1.00
48.24
C

ATOM
4069
NZ
LYS
C
141
−9.694
14.625
17.679
1.00
49.51
N

ATOM
4070
C
LYS
C
141
−5.867
10.246
21.446
1.00
37.50
C

ATOM
4071
O
LYS
C
141
−6.441
9.707
22.395
1.00
39.70
O

ATOM
4072
N
ASN
C
142
−4.737
10.925
21.587
1.00
37.96
N

ATOM
4073
CA
ASN
C
142
−4.067
11.110
22.873
1.00
36.57
C

ATOM
4074
CB
ASN
C
142
−2.656
11.641
22.671
1.00
39.03
C

ATOM
4075
CG
ASN
C
142
−1.788
10.691
21.867
1.00
52.39
C

ATOM
4076
OD1
ASN
C
142
−1.232
11.072
20.835
1.00
64.20
O

ATOM
4077
ND2
ASN
C
142
−1.687
9.444
22.321
1.00
51.39
N

ATOM
4078
C
ASN
C
142
−4.807
12.151
23.659
1.00
35.87
C

ATOM
4079
O
ASN
C
142
−5.518
12.949
23.179
1.00
34.11
C

ATOM
4080
N
PHE
C
143
−4.585
12.168
24.964
1.00
35.27
N

ATOM
4081
CA
PHE
C
143
−5.053
13.253
25.797
1.00
35.15
C

ATOM
4082
CB
PHE
C
143
−6.465
13.026
26.364
1.00
30.91
C

ATOM
4083
CG
PHE
C
143
−6.594
11.881
27.311
1.00
34.75
C

ATOM
4084
CD1
PHE
C
143
−7.008
10.642
26.857
1.00
34.51
C

ATOM
4085
CE1
PHE
C
143
−7.116
9.584
27.717
1.00
29.82
C

ATOM
4086
CZ
PHE
C
143
−6.896
9.765
29.065
1.00
29.86
C

ATOM
4087
CE2
PHE
C
143
−6.487
11.019
29.549
1.00
35.51
C

ATOM
4088
CD2
PHE
C
143
−6.359
12.050
28.665
1.00
33.66
C

ATOM
4089
C
PHE
C
143
−4.001
13.498
26.838
1.00
35.09
C

ATOM
4090
O
PHE
C
143
−3.194
12.586
27.138
1.00
36.21
O

ATOM
4091
N
GLU
C
144
−3.958
14.727
27.366
1.00
32.31
N

ATOM
4092
CA
GLU
C
144
−2.878
15.080
28.296
1.00
30.96
C

ATOM
4093
CB
GLU
C
144
−2.298
16.465
27.984
1.00
37.97
C

ATOM
4094
CG
GLU
C
144
−1.737
16.563
26.585
1.00
44.95
C

ATOM
4095
CD
GLU
C
144
−0.526
15.647
26.363
1.00
32.23
C

ATOM
4096
OE1
GLU
C
144
−0.406
15.655
27.187
1.00
43.14
O

ATOM
4097
OE2
GLU
C
144
−0.559
14.912
25.353
1.00
51.24
O

ATOM
4098
C
GLU
C
144
−3.278
15.014
29.739
1.00
34.51
C

ATOM
4099
O
GLU
C
144
−4.409
15.394
30.087
1.00
32.08
O

ATOM
4100
N
VAL
C
145
−2.329
14.566
30.565
1.00
31.91
N

ATOM
4101
CA
VAL
C
145
−2.538
14.420
32.017
1.00
38.33
C

ATOM
4102
CB
VAL
C
145
−2.536
12.932
32.408
1.00
38.53
C

ATOM
4103
CG1
VAL
C
145
−2.525
12.716
33.907
1.00
48.12
C

ATOM
4104
CG2
VAL
C
145
−3.794
12.260
31.796
1.00
37.21
C

ATOM
4105
C
VAL
C
145
−1.434
15.153
32.760
1.00
41.65
C

ATOM
4106
O
VAL
C
145
−0.314
15.195
32.284
1.00
43.03
O

ATOM
4107
N
VAL
C
146
−1.766
15.742
33.907
1.00
44.76
N

ATOM
4108
CA
VAL
C
146
−0.738
16.247
34.828
1.00
48.21
C

ATOM
4109
CB
VAL
C
146
−0.588
17.786
34.763
1.00
50.85
C

ATOM
4110
CG1
VAL
C
146
−1.945
18.529
35.040
1.00
56.24
C

ATOM
4111
CG2
VAL
C
146
−0.536
18.277
35.728
1.00
55.26
C

ATOM
4112
C
VAL
C
146
−1.079
15.801
36.252
1.00
50.72
C

ATOM
4113
O
VAL
C
146
−2.204
15.931
35.679
1.00
45.98
O

ATOM
4114
N
ASP
C
147
−0.100
15.263
36.974
1.00
54.68
N

ATOM
4115
CA
ASP
C
147
−0.262
15.021
38.401
1.00
60.02
C

ATOM
4116
CB
ASP
C
147
−0.312
13.663
38.806
1.00
60.32
C

ATOM
4117
CG
ASP
C
147
−0.471
13.018
39.983
1.00
60.32
C

ATOM
4118
OD1
ASP
C
147
−1.738
13.081
40.023
1.00
62.61
O

ATOM
4119
OD2
ASP
C
147
0.192
12.444
40.870
1.00
75.85
O

ATOM
4120
C
ASP
C
147
0.358
16.142
39.248
1.00
61.55
C

ATOM
4121
O
ASP
C
147
1.464
16.610
38.962
1.00
62.55
O

ATOM
4122
N
PRO
C
154
12.324
14.890
39.787
1.00
75.53
N

ATOM
4123
CA
PRO
C
154
1.780
15.046
39.734
1.00
47.48
C

ATOM
4124
CB
PRO
C
154
14.174
15.150
41.207
1.00
74.68
C

ATOM
4125
CG
PRO
C
154
13.123
14.364
41.930
1.00
76.84
C

ATOM
4126
CD
PRO
C
154
11.855
14.415
41.013
1.00
76.47
C

ATOM
4127
C
PRO
C
154
14.487
13.859
39.059
1.00
73.39
C

ATOM
4128
O
PRO
C
154
13.915
12.765
39.004
1.00
73.46
O

ATOM
4129
N
ASP
C
155
15.711
14.105
38.563
1.00
71.26
N

ATOM
4130
CA
ASP
C
155
16.539
13.153
37.795
1.00
68.33
C

ATOM
4131
CB
ASP
C
155
17.956
13.734
37.564
1.00
68.56
C

ATOM
4132
CG
ASP
C
155
18.944
12.733
36.910
1.00
65.20
C

ATOM
4133
OD1
ASP
C
155
18.523
11.782
36.239
1.00
61.46
O

ATOM
4134
OD2
ASP
C
155
20.175
12.926
37.047
1.00
73.54
O

ATOM
4135
C
ASP
C
155
16.634
11.822
38.518
1.00
66.07
C

ATOM
4136
O
ASP
C
155
16.914
11.785
39.712
1.00
66.30
O

ATOM
4137
N
LEU
C
156
16.411
10.746
37.767
1.00
61.01
N

ATOM
4138
CA
LEU
C
156
16.351
9.390
38.290
1.00
58.71
C

ATOM
4139
CB
LEU
C
156
15.823
8.483
37.192
1.00
61.03
C

ATOM
4140
CG
LEU
C
156
15.351
7.058
37.414
1.00
50.15
C

ATOM
4141
CD1
LEU
C
156
14.355
6.773
36.344
1.00
65.43
C

ATOM
4142
CD2
LEU
C
156
16.526
6.161
37.227
1.00
61.37
C

ATOM
4143
C
LEU
C
156
17.697
8.871
38.816
1.00
55.67
C

ATOM
4144
O
LEU
C
156
17.735
7.995
39.671
1.00
51.96
O

ATOM
4145
N
MET
C
157
18.791
9.402
38.279
1.00
51.07
N

ATOM
4146
CA
MET
C
157
20.128
9.044
38.698
1.00
46.00
C

ATOM
4147
CB
MET
C
157
21.085
9.052
37.497
1.00
51.13
C

ATOM
4148
CG
MET
C
157
20.733
80.62
36.393
1.00
56.38
C

ATOM
4149
SD
MET
C
157
20.191
6.323
36.880
1.00
71.11
S

ATOM
4150
CE
MET
C
157
19.428
5.977
37.737
1.00
59.50
C

ATOM
4151
C
MET
C
157
20.657
10.007
39.759
1.00
43.06
C

ATOM
4152
O
MET
C
157
21.777
9.845
40.216
1.00
42.02
O

ATOM
4153
N
ALA
C
158
19.879
11.022
40.142
1.00
43.62
N

ATOM
4154
CA
ALA
C
158
20.361
11.980
41.168
1.00
43.62
C

ATOM
4155
CB
ALA
C
158
19.624
13.304
41.029
1.00
48.36
C

ATOM
4156
C
ALA
C
158
20.174
11.417
42.593
1.00
47.15
C

ATOM
4157
O
ALA
C
158
19.207
10.695
42.849
1.00
46.65
O

ATOM
4158
N
PRO
C
159
21.073
11.770
43.535
1.00
50.24
N

ATOM
4159
CA
PRO
C
159
21.019
11.203
44.879
1.00
50.08
C

ATOM
4160
CB
PRO
C
159
22.254
11.790
45.551
1.00
51.66
C

ATOM
4161
CG
PRO
C
159
22.530
13.062
44.824
1.00
55.70
C

ATOM
4162
CD
PRO
C
159
22.150
12.760
43.308
1.00
50.61
C

ATOM
4163
C
PRO
C
159
19.763
11.633
45.606
1.00
53.82
C

ATOM
4164
O
PRO
C
159
19.253
12.726
45.358
1.00
56.90
O

ATOM
4165
N
VAL
C
160
19.237
10.770
64.470
1.00
54.29
N

ATOM
4166
CA
VAL
C
160
17.959
11.035
47.154
1.00
53.86
C

ATOM
4167
CB
VAL
C
160
16.889
9.964
46.814
1.00
54.03
C

ATOM
4168
CG1
VAL
C
160
15.564
10.280
47.506
1.00
62.18
C

ATOM
4169
CG2
VAL
C
160
16.638
9.877
45.321
1.00
58.58
C

ATOM
4170
C
VAL
C
160
18.246
11.063
48.657
1.00
54.00
C

ATOM
4171
O
VAL
C
160
18.982
10.216
49.164
1.00
48.82
O

ATOM
4172
N
SER
C
161
17.667
12.026
49.363
1.00
52.17
N

ATOM
4173
CA
SER
C
161
17.995
12.200
50.771
1.00
54.64
C

ATOM
4174
CB
SER
C
161
19.275
13.027
50.901
1.00
51.49
C

ATOM
4175
OG
SER
C
161
18.985
14.393
50.689
1.00
65.11
O

ATOM
4176
C
SER
C
161
16.849
12.867
51.518
1.00
53.83
C

ATOM
4177
O
SER
C
161
15.944
13.440
50.894
1.00
51.19
O

ATOM
4178
N
ALA
C
162
16.895
12.790
52.850
1.00
50.26
N

ATOM
4179
CA
ALA
C
162
15.873
13.374
53.689
1.00
44.91
C

ATOM
4180
CB
ALA
C
162
14.636
12.545
53.640
1.00
45.43
C

ATOM
4181
C
ALA
C
162
16.415
13.416
55.128
1.00
45.14
C

ATOM
4182
O
ALA
C
162
17.365
12.714
55.440
1.00
44.02
O

ATOM
4183
N
LYS
C
163
15.788
14.224
55.978
1.00
45.14
N

ATOM
4184
CA
LYS
C
163
16.008
14.250
57.411
1.00
44.33
C

ATOM
4185
CB
LYS
C
163
17.229
15.238
57.729
1.00
50.87
C

ATOM
4186
CG
LYS
C
163
17.008
16.673
57.246
1.00
56.98
C

ATOM
4187
CD
LYS
C
163
18.346
17.347
57.013
1.00
71.75
C

ATOM
4188
CE
LYS
C
163
18.254
18.867
57.103
1.00
81.02
C

ATOM
4189
NZ
LYS
C
163
19.619
19.456
57.306
1.00
80.65
N

ATOM
4190
C
LYS
C
163
14.852
14.535
58.192
1.00
45.54
C

ATOM
4191
O
LYS
C
163
13.961
15.237
57.696
1.00
44.93
O

ATOM
4192
N
LYS
C
164
14.756
13.944
59.387
1.00
42.53
N

ATOM
4193
CA
LYS
C
164
13.630
14.131
60.266
1.00
42.47
C

ATOM
4194
CB
LYS
C
164
12.636
13.000
60.075
1.00
42.83
C

ATOM
4195
CG
LYS
C
164
11.244
13.241
60.614
1.00
47.76
C

ATOM
4196
CD
LYS
C
164
10.283
13.403
59.471
1.00
50.57
C

ATOM
4197
CE
LYS
C
164
80.991
12.791
59.800
1.00
62.87
C

ATOM
4198
NZ
LYS
C
164
8.285
12.271
58.579
1.00
66.43
N

ATOM
4199
C
LYS
C
164
14.156
14.133
61.076
1.00
45.53
C

ATOM
4200
O
LYS
C
164
15.045
13.367
62.054
1.00
41.03
O

ATOM
4201
N
GLU
C
165
13.623
15.033
62.516
1.00
48.05
N

ATOM
4202
CA
GLU
C
165
13.978
15.114
63.927
1.00
48.85
C

ATOM
4203
CB
GLU
C
165
14.848
16.344
64.205
1.00
48.33
C

ATOM
4204
CG
GLU
C
165
15.094
16.595
65.692
1.00
56.66
C

ATOM
4205
CD
GLU
C
165
16.474
17.137
65.988
1.00
68.08
C

ATOM
4206
OE1
GLU
C
165
16.857
18.147
65.354
1.00
71.86
O

ATOM
4207
OE2
GLU
C
165
17.165
16.577
66.864
1.00
72.73
O

ATOM
4208
C
GLU
C
165
12.688
15.152
64.470
1.00
50.64
C

ATOM
4209
O
GLU
C
165
11.763
15.885
64.389
1.00
51.25
O

ATOM
4210
N
LYS
C
166
12.615
14.325
65.760
1.00
51.20
N

ATOM
4211
CA
LYS
C
166
11.431
14.263
66.595
1.00
46.99
C

ATOM
4212
CB
LYS
C
166
10.745
12.911
66.466
1.00
45.11
C

ATOM
4213
CG
LYS
C
166
9.246
12.974
66.795
1.00
56.92
C

ATOM
4214
CD
LYS
C
166
8.582
11.610
66.708
1.00
60.23
C

ATOM
4215
CE
LYS
C
166
8.433
10.986
68.079
1.00
66.15
C

ATOM
4216
NZ
LYS
C
166
8.402
9.519
67.930
1.00
55.25
N

ATOM
4217
C
LYS
C
166
11.816
14.499
68.059
1.00
44.59
C

ATOM
4218
O
LYS
C
166
12.816
13.969
68.548
1.00
38.32
O

ATOM
4219
N
LYS
C
167
10.997
15.295
68.727
1.00
42.88
N

ATOM
4220
CA
LYS
C
167
11.077
15.528
70.154
1.00
44.74
C

ATOM
4221
CB
LYS
C
167
1.243
16.762
70.499
1.00
45.46
C

ATOM
4222
CG
LYS
C
167
10.325
17.200
71.941
1.00
49.83
C

ATOM
4223
CD
LYS
C
167
9.300
18.290
72.311
1.00
61.14
C

ATOM
4224
CE
LYS
C
167
7.999
17.707
72.906
1.00
63.78
C

ATOM
4225
NZ
LYS
C
167
7.410
18.581
73.976
1.00
59.86
N

ATOM
4226
C
LYS
C
167
10.564
14.263
70.855
1.00
43.60
C

ATOM
4227
O
LYS
C
167
9.463
13.794
70.578
1.00
41.018
O

ATOM
4228
N
VAL
C
168
11.388
13.697
71.741
1.00
43.90
N

ATOM
4229
CA
VAL
C
168
11.021
12.531
72.522
1.00
38.55
C

ATOM
4230
CB
VAL
C
168
11.739
11.256
72.035
1.00
37.19
C

ATOM
4231
CG1
VAL
C
168
11.259
10.057
72.845
1.00
38.16
C

ATOM
4232
CG2
VAL
C
168
11.502
11.018
70.552
1.00
63.01
C

ATOM
4233
C
VAL
C
168
11.419
12.854
73.952
1.00
40.35
C

ATOM
4234
O
VAL
C
168
12.535
12.555
74.396
1.00
36.05
O

ATOM
4235
N
SER
C
169
10.407
13.495
74.650
1.00
41.30
N

ATOM
4236
CA
SER
C
169
10.803
14.099
75.934
1.00
40.70
C

ATOM
4237
CB
SER
C
169
10.023
15.401
76.103
1.00
42.49
C

ATOM
4238
OG
SER
C
169
8.647
15.125
76.188
1.00
45.71
O

ATOM
4239
C
SER
C
169
10.509
13.165
77.090
1.00
39.91
C

ATOM
4240
O
SER
C
169
9.771
12.171
76.950
1.00
38.13
O

ATOM
4241
N
SER
C
170
11.074
13.559
78.237
1.00
38.73
N

ATOM
4242
CA
SER
C
170
11.261
12.793
79.438
1.00
37.87
C

ATOM
4243
CB
SER
C
170
12.762
12.438
79.501
1.00
38.81
C

ATOM
4244
OG
SER
C
170
13.015
11.216
80.107
1.00
42.88
O

ATOM
4245
C
SER
C
170
11.029
13.853
80.519
1.00
39.16
C

ATOM
4246
O
SER
C
170
11.202
15.041
80.253
1.00
41.28
O

ATOM
4247
N
MET
C
171
10.693
13.460
81.742
1.00
40.48
N

ATOM
4248
CA
MET
C
171
10.722
14.451
82.824
1.00
40.93
C

ATOM
4249
CB
MET
C
171
10.150
13.899
84.130
1.00
42.40
C

ATOM
4250
CG
MET
C
171
10.155
14.955
85.218
1.00
37.78
C

ATOM
4251
SD
MET
C
171
9.361
14.191
86.774
1.00
49.34
S

ATOM
4252
CE
MET
C
171
9.920
12.836
86.998
1.00
44.72
C

ATOM
4253
C
MET
C
171
12.141
15.025
83.061
1.00
41.02
C

ATOM
4254
O
MET
C
171
12.299
16.243
83.251
1.00
39.16
O

ATOM
4255
N
PHE
C
172
13.159
14.156
83.013
1.00
39.37
N

ATOM
4256
CA
PHE
C
172
14.542
14.591
83.270
1.00
43.56
C

ATOM
4257
CB
PHE
C
172
15.282
13.571
84.147
1.00
42.50
C

ATOM
4258
CG
PHE
C
172
14.661
13.405
85.501
1.00
42.81
C

ATOM
4259
CD1
PHE
C
172
14.622
14.476
86.399
1.00
48.42
C

ATOM
4260
CE1
PHE
C
172
14.012
14.343
87.653
1.00
52.89
C

ATOM
4261
CZ
PHE
C
172
13.437
13.121
88.022
1.00
50.60
C

ATOM
4262
CE2
PHE
C
172
13.454
12.049
87.117
1.00
43.95
C

ATOM
4263
CD2
PHE
C
172
14.059
12.207
85.861
1.00
41.73
C

ATOM
4264
C
PHE
C
172
15.344
14.976
82.023
1.00
44.01
C

ATOM
4265
O
PHE
C
172
16.406
15.602
82.129
1.00
41.30
C

ATOM
4266
N
ILE
C
173
14.830
14.609
80.848
1.00
42.56
N

ATOM
4267
CA
ILE
C
173
15.391
15.104
79.590
1.00
42.62
C

ATOM
4268
CB
ILE
C
173
16.105
14.004
78.736
1.00
41.56
C

ATOM
4269
CG1
ILE
C
173
16.996
13.105
79.596
1.00
40.93
C

ATOM
4270
CD1
ILE
C
173
17.447
11.849
78.870
1.00
43.24
C

ATOM
4271
CG2
ILE
C
173
16.915
14.654
77.597
1.00
44.37
C

ATOM
4272
C
ILE
C
173
14.255
15.691
78.793
1.00
43.85
C

ATOM
4273
O
ILE
C
173
13.798
15.097
77.804
1.00
44.56
O

ATOM
4274
N
PRO
C
174
13.725
16.872
79.210
1.00
43.29
N

ATOM
4275
CA
PRO
C
174
12.584
17.44
78.517
1.00
44.87
C

ATOM
4276
CB
PRO
C
174
12.327
18.748
79.281
1.00
46.23
C

ATOM
4277
CG
PRO
C
174
13.012
18.564
80.591
1.00
46.70
C

ATOM
4278
CD
PRO
C
174
14.196
17.741
80.303
1.00
42.95
C

ATOM
4279
C
PRO
C
174
12.888
17.743
77.054
1.00
46.77
C

ATOM
4280
O
PRO
C
174
11.961
17.809
76.250
1.00
49.83
O

ATOM
4281
N
ASP
C
175
14.164
17.939
76.717
1.00
48.21
N

ATOM
4282
CA
ASP
C
175
14.559
18.323
75.351
1.00
49.61
C

ATOM
4283
CB
ASP
C
175
15.584
19.459
75.381
1.00
51.49
C

ATOM
4284
CG
ASP
C
175
15.101
20.679
76.146
1.00
63.46
C

ATOM
4285
OD1
ASP
C
175
15.972
21.444
76.627
1.00
65.97
O

ATOM
4286
OD2
ASP
C
175
13.865
20.890
76.261
1.00
70.34
O

ATOM
4287
C
ASP
C
175
15.139
17.142
74.570
1.00
45.24
C

ATOM
4288
O
ASP
C
175
15.877
17.326
73.593
1.00
44.77
O

ATOM
4289
N
GLY
C
176
14.836
15.936
75.029
1.00
42.19
N

ATOM
4290
CA
GLY
C
176
15.233
14.737
74.331
1.00
40.01
C

ATOM
4291
C
GLY
C
176
14.729
14.734
72.694
1.00
38.84
C

ATOM
4292
O
GLY
C
176
13.653
15.263
72.591
1.00
39.98
O

ATOM
4293
N
ARG
C
177
15.516
14.132
72.004
1.00
39.16
N

ATOM
4294
CA
ARG
C
177
15.234
14.159
70.570
1.00
38.63
C

ATOM
4295
CB
ARG
C
177
15.809
15.422
69.915
1.00
41.42
C

ATOM
4296
CG
ARG
C
177
15.023
16.667
70.276
1.00
47.85
C

ATOM
4297
CD
ARG
C
177
15.596
17.948
69.716
1.00
66.67
C

ATOM
4298
NE
ARG
C
177
14.650
19.059
69.885
1.00
69.69
N

ATOM
4299
CZ
ARG
C
177
13.583
19.273
69.112
1.00
76.69
C

ATOM
4300
NH1
ARG
C
177
13.293
18.456
68.096
1.00
71.54
N

ATOM
4301
NH2
ARG
C
177
12.795
20.313
69.355
1.00
07.75
N

ATOM
4302
C
ARG
C
177
15.849
12.595
69.915
1.00
77.27
C

ATOM
4303
O
ARG
C
177
16.897
12.469
70.365
1.00
36.23
O

ATOM
4304
N
VAL
C
178
15.208
12.519
68.830
1.00
40.18
N

ATOM
4305
CA
VAL
C
178
15.712
11.449
67.987
1.00
35.92
C

ATOM
4306
CB
VAL
C
178
14.875
10.168
68.135
1.00
36.42
C

ATOM
4307
CG1
VAL
C
178
15.269
9.111
67.073
1.00
34.93
C

ATOM
4308
CG2
VAL
C
178
15.013
9.604
69.558
1.00
29.01
C

ATOM
4309
C
VAL
C
178
15.685
11.963
66.563
1.00
37.59
C

ATOM
4310
O
VAL
C
178
14.672
12.472
66.131
1.00
35.35
O

ATOM
4311
N
SER
C
179
16.805
11.837
65.852
1.00
38.43
N

ATOM
4312
CA
SER
C
179
16.921
12.363
64.480
1.00
40.42
C

ATOM
4313
CB
SER
C
179
17.841
13.590
64.474
1.00
42.23
C

ATOM
4314
OG
SER
C
179
19.188
13.200
64.288
1.00
55.87
O

ATOM
4315
C
SER
C
179
17.495
11.286
63.575
1.00
39.65
C

ATOM
4316
O
SER
C
179
18.180
10.365
64.057
1.00
34.43
O

ATOM
4317
N
VAL
C
180
17.175
11.377
62.272
1.00
40.21
N

ATOM
4318
CA
VAL
C
180
17.773
10.538
61.236
1.00
63.42
C

ATOM
4319
CB
VAL
C
180
17.000
9.214
61.019
1.00
40.84
C

ATOM
4320
CG1
VAL
C
180
15.488
9.446
60.789
1.00
42.88
C

ATOM
4321
CG2
VAL
C
180
17.608
8.389
59.880
1.00
39.59
C

ATOM
4322
C
VAL
C
180
17.833
11.357
59.975
1.00
38.63
C

ATOM
4323
O
VAL
C
180
16.893
12.107
59.665
1.00
38.90
O

ATOM
4324
N
SER
C
181
18.060
11.267
50.205
1.00
30.32
N

ATOM
4325
CA
SER
C
181
19.139
11.822
57.961
1.00
41.71
C

ATOM
4326
CB
SER
C
181
20.053
13.043
57.955
1.00
43.10
C

ATOM
4327
OG
SER
C
181
21.389
12.659
58.153
1.00
51.55
C

ATOM
4328
C
SER
C
181
19.813
10.724
57.204
1.00
42.38
C

ATOM
4329
O
SER
C
181
20.688
10.070
57.736
1.00
41.14
C

ATOM
4330
N
ALA
C
182
19.409
10.531
55.950
1.00
38.80
N

ATOM
4331
CA
ALA
C
182
19.889
9.411
55.174
1.00
40.66
C

ATOM
4332
CB
ALA
C
182
18.952
8.246
55.287
1.00
40.62
C

ATOM
4333
C
ALA
C
182
19.956
9.849
53.744
1.00
43.09
C

ATOM
4334
O
ALA
C
182
19.259
10.785
53.357
1.00
42.67
O

ATOM
4335
N
ARG
C
183
20.800
9.179
52.971
1.00
42.67
N

ATOM
4336
CA
ARG
C
183
20.988
9.533
51.583
1.00
47.12
C

ATOM
4337
CB
ARG
C
183
22.167
10.495
51.434
1.00
50.69
C

ATOM
4338
CG
ARG
C
183
22.295
11.123
50.036
1.00
58.39
C

ATOM
4339
CD
ARG
C
183
23.693
11.725
79.795
1.00
60.41
C

ATOM
4340
NE
ARG
C
183
24.169
11.433
48.429
1.00
81.41
N

ATOM
4341
CZ
ARG
C
183
25.120
12.108
47.780
1.00
82.71
C

ATOM
4342
NH1
ARG
C
183
25.740
13.140
48.349
1.00
86.54
N

ATOM
4343
NH2
ARG
C
183
25.475
11.751
46.548
1.00
78.98
N

ATOM
4344
C
ARG
C
183
21.299
8.263
50.832
1.00
44.21
C

ATOM
4345
O
ARG
C
183
22.045
7.446
51.317
1.00
40.15
O

ATOM
4346
N
ILE
C
184
20.714
8.121
49.643
1.00
43.86
N

ATOM
4347
CA
ILE
C
184
21.083
7.078
48.705
1.00
42.93
C

ATOM
4348
CB
ILE
C
184
19.913
6.131
48.429
1.00
41.64
C

ATOM
4349
CG1
ILE
C
184
18.678
6.915
47.976
1.00
40.83
C

ATOM
4350
CD1
ILE
C
184
19.667
5.261
49.689
1.00
37.57
C

ATOM
4351
CG2
ILE
C
184
19.667
5.261
49.689
1.00
42.97
C

ATOM
4352
C
ILE
C
184
21.559
7.724
47.414
1.00
40.63
C

ATOM
4353
O
ILE
C
184
21.193
8.872
47.115
1.00
39.14
O

ATOM
4354
N
ASP
C
185
22.361
6.995
46.645
1.00
42.53
N

ATOM
4355
CA
ASP
C
185
2.023
7.623
45.515
1.00
46.57
C

ATOM
4356
CB
ASP
C
185
24.316
6.900
45.144
1.00
51.28
C

ATOM
4357
CG
ASP
C
185
24.078
5.521
44.591
1.00
65.39
C

ATOM
4358
OD1
ASP
C
185
23.636
5.416
43.422
1.00
77.25
O

ATOM
4359
OD2
ASP
C
185
24.383
4.539
45.310
1.00
73.72
O

ATOM
4360
C
ASP
C
185
22.158
7.875
44.294
1.00
46.42
C

ATOM
4361
O
ASP
C
185
22.507
8.693
43.450
1.00
43.03
O

ATOM
4362
N
ARG
C
186
21.016
7.185
44.202
1.00
42.57
N

ATOM
4363
CA
ARG
C
186
20.114
7.351
43.038
1.00
41.01
C

ATOM
4364
CB
ARG
C
186
20.652
6.585
41.829
1.00
39.23
C

ATOM
4365
CG
ARG
C
186
20.921
5.146
42.087
1.00
41.74
C

ATOM
4366
CD
ARG
C
186
21.648
4.508
40.975
1.00
42.93
C

ATOM
4367
NE
ARG
C
186
21.492
3.047
40.999
1.00
43.21
N

ATOM
4368
CZ
ARG
C
186
22.340
2.216
41.591
1.00
45.66
C

ATOM
4369
NH1
ARG
C
186
23.386
2.707
42.234
1.00
46.96
N

ATOM
4370
NH2
ARG
C
186
22.140
0.903
41.557
1.00
43.09
N

ATOM
4371
C
ARG
C
186
18.710
7.171
42.586
1.00
42.18
C

ATOM
4372
O
ARG
C
186
18.548
6.357
44.502
1.00
41.33
O

ATOM
4373
N
LYS
C
187
17.710
7.171
42.586
1.00
41.25
N

ATOM
4374
CA
LYS
C
187
16.357
6.729
42.856
1.00
42.70
C

ATOM
4375
CB
LYS
C
187
15.400
7.859
42.481
1.00
43.75
C

ATOM
4376
CG
LYS
C
187
13.938
7.528
42.498
1.00
50.54
C

ATOM
4377
CD
LYS
C
187
13.112
8.751
42.080
1.00
49.94
C

ATOM
4378
CE
LYS
C
187
11.711
8.668
42.585
1.00
60.91
C

ATOM
4379
NZ
LYS
C
187
11.021
9.985
42.535
1.00
69.90
N

ATOM
4380
C
LYS
C
187
16.002
5.423
42.095
1.00
44.46
C

ATOM
4381
O
LYS
C
187
15.150
4.648
42.536
1.00
41.20
O

ATOM
4382
N
GLY
C
188
16.650
5.182
40.591
1.00
44.17
N

ATOM
4383
CA
GLY
C
188
16.264
4.058
40.090
1.00
40.19
C

ATOM
4384
C
GLY
C
188
17.253
2.938
40.311
1.00
38.67
C

ATOM
4385
O
GLY
C
188
18.459
3.146
40.234
1.00
37.97
O

ATOM
4386
N
PHE
C
189
16.735
1.749
40.629
1.00
39.38
N

ATOM
4387
CA
PHE
C
189
17.570
0.579
40.870
1.00
38.58
C

ATOM
4388
CB
PHE
C
189
17.541
0.184
42.370
1.00
37.74
C

ATOM
4389
CG
PHE
C
189
18.231
1.170
43.254
1.00
38.28
C

ATOM
4390
CD1
PHE
C
189
19.581
1.066
43.513
1.00
34.88
C

ATOM
4391
CE1
PHE
C
189
20.240
2.004
44.325
1.00
36.61
C

ATOM
4392
CZ
PHE
C
189
19.523
3.064
44.830
1.00
28.63
C

ATOM
4393
CE2
PHE
C
189
18.183
3.182
44.545
1.00
30.63
C

ATOM
4394
CD2
PHE
C
189
17.538
2.231
43.779
1.00
39.21
C

ATOM
4395
C
PHE
C
189
17.019
−0.565
40.075
1.00
38.52
C

ATOM
4396
O
PHE
C
189
15.826
−0.612
39.815
1.00
41.69
O

ATOM
4397
N
CYS
C
190
17.887
−1.492
39.701
1.00
36.36
N

ATOM
4398
CA
CYS
C
190
17.491
−2.700
39.000
1.00
42.33
C

ATOM
4399
CB
CYS
C
190
18.611
−3.117
38.044
1.00
46.04
C

ATOM
4400
SG
CYS
C
190
19.126
−1.784
36.877
1.00
63.16
S

ATOM
4401
C
CYS
C
190
17.729
−3.828
39.989
1.00
38.57
C

ATOM
4402
O
CYS
C
190
18.022
−3.941
40.972
1.00
34.16
O

ATOM
4403
N
GLU
C
191
16.307
−4.685
39.713
1.00
38.41
N

ATOM
4404
CA
GLU
C
191
16.073
−5.799
40.600
1.00
43.33
C

ATOM
4405
CB
GLU
C
191
14.891
−6.648
40.086
1.00
4.77
C

ATOM
4406
CG
GLU
C
191
15.307
−7.828
39.279
1.00
52.42
C

ATOM
4407
CD
GLU
C
191
14.227
−8.309
38.354
1.00
66.05
C

ATOM
4408
OE1
GLU
C
191
14.499
−8.416
37.122
1.00
62.02
O

ATOM
4409
OE2
GLU
C
191
13.117
−8.578
38.861
1.00
65.58
O

ATOM
4410
C
GLU
C
191
17.338
−6.580
40.751
1.00
45.51
C

ATOM
4411
O
GLU
C
191
18.017
−6.841
39.765
1.00
47.58
O

ATOM
4412
N
GLY
C
192
17.735
−6.849
41.996
1.00
46.83
N

ATOM
4413
CA
GLY
C
192
18.939
−7.630
42.278
1.00
46.07
C

ATOM
4414
C
GLY
C
192
20.131
−6.796
42.698
1.00
46.94
C

ATOM
4415
O
GLY
C
192
21.124
−7.335
43.203
1.00
49.28
O

ATOM
4416
N
ASP
C
193
20.049
−5.486
42.467
1.00
45.08
N

ATOM
4417
CA
ASP
C
193
21.098
−4.553
42.838
1.00
42.51
C

ATOM
4418
CB
ASP
C
193
20.936
−3.249
42.041
1.00
45.42
C

ATOM
4419
CG
ASP
C
193
21.493
−3.340
40.604
1.00
54.28
C

ATOM
4420
OD1
ASP
C
193
21.715
−4.461
40.085
1.00
54.17
O

ATOM
4421
OD2
ASP
C
193
21.722
−2.270
39.991
1.00
61.91
O

ATOM
4422
C
ASP
C
193
20.978
−4.305
44.341
1.00
42.86
C

ATOM
4423
O
ASP
C
193
19.978
−4.669
44.947
1.00
40.07
O

ATOM
4424
N
GLU
C
194
22.022
−3.768
44.964
1.00
42.08
N

ATOM
4425
CA
GLU
C
194
21.912
−3.386
46.371
1.00
46.01
C

ATOM
4426
CB
GLU
C
194
23.164
−3.814
47.141
1.00
49.67
C

ATOM
4427
CG
GLU
C
194
24.353
−2.906
46.965
1.00
58.56
C

ATOM
4428
CD
GLU
C
194
25.492
−3.250
47.925
1.00
68.89
C

ATOM
4429
OE1
GLU
C
194
25.836
−4.450
48.022
1.00
80.45
O

ATOM
4430
OE2
GLU
C
194
26.028
−2.322
48.582
1.00
79.45
O

ATOM
4431
C
GLU
C
194
21.663
−1.892
45.493
1.00
43.96
C

ATOM
4432
O
GLU
C
194
22.228
−1.112
45.738
1.00
46.05
O

ATOM
4433
N
ILE
C
195
20.769
−1.474
47.376
1.00
43.70
N

ATOM
4434
CA
ILE
C
195
20.738
−0.044
47.752
1.00
43.44
C

ATOM
4435
CB
ILE
C
195
19.338
0.449
48.198
1.00
42.78
C

ATOM
4436
CG1
ILE
C
195
18.277
0.077
47.169
1.00
46.42
C

ATOM
4437
CD1
ILE
C
195
16.842
0.481
47.559
1.00
38.66
C

ATOM
4438
CG2
ILE
C
195
19.367
1.974
48.511
1.00
44.43
C

ATOM
4439
C
ILE
C
195
21.712
0.118
48.923
1.00
46.42
C

ATOM
4440
O
ILE
C
195
21.520
−0.490
49.969
1.00
47.79
O

ATOM
4441
N
SER
C
196
22.738
0.948
48.758
1.00
41.98
N

ATOM
4442
CA
SER
C
196
23.716
1.181
49.813
1.00
44.17
C

ATOM
4443
CB
SER
C
196
25.109
1.246
49.173
1.00
47.48
C

ATOM
4444
OG
SER
C
196
26.025
2.071
49.877
1.00
58.92
C

ATOM
4445
C
SER
C
196
23.295
2.472
50.499
1.00
42.47
C

ATOM
4446
O
SER
C
196
23.186
3.511
49.857
1.00
41.76
O

ATOM
4447
N
ILE
C
197
22.946
2.378
51.780
1.00
41.67
N

ATOM
4448
CA
ILE
C
197
22.349
3.512
52.508
1.00
41.41
C

ATOM
4449
CB
ILE
C
197
21.175
3.057
53.432
1.00
42.50
C

ATOM
4450
CG1
ILE
C
197
20.111
2.275
52.623
1.00
40.88
C

ATOM
4451
CD1
ILE
C
197
19.119
1.564
53.470
1.00
41.55
C

ATOM
4452
CG2
ILE
C
197
20.533
4.286
54.111
1.00
86.85
C

ATOM
4453
C
ILE
C
197
23.381
4.195
53.401
1.00
44.41
C

ATOM
4454
O
ILE
C
197
23.976
3.537
54.230
1.00
40.87
O

ATOM
4455
N
HIS
C
198
23.533
5.515
53.260
1.00
43.18
N

ATOM
4456
CA
HIS
C
198
24.305
6.304
54.215
1.00
44.50
C

ATOM
4457
CB
HIS
C
198
25.235
7.256
53.452
1.00
48.01
C

ATOM
4458
CG
HIS
C
198
26.201
6.544
52.540
1.00
53.63
C

ATOM
4459
ND1
HIS
C
198
27.525
5.339
52.884
1.00
59.11
N

ATOM
4460
CE1
HIS
C
198
28.125
5.682
51.909
1.00
84.40
C

ATOM
4461
NE2
HIS
C
198
27.238
5.445
50.956
1.00
70.37
N

ATOM
4462
CD2
HIS
C
198
26.028
5.977
51.329
1.00
65.33
C

ATOM
4463
C
HIS
C
198
23.305
7.075
55.141
1.00
41.56
C

ATOM
4464
O
HIS
C
198
22.502
7.809
54.675
1.00
41.88
C

ATOM
4465
N
ALA
C
199
23.525
6.910
56.451
1.00
39.55
N

ATOM
4466
CA
ALA
C
199
22.575
7.480
57.405
1.00
37.50
C

ATOM
4467
CB
ALA
C
199
21.457
6.439
57.682
1.00
34.49
C

ATOM
4468
C
ALA
C
199
23.270
7.818
58.696
1.00
36.43
C

ATOM
4469
O
ALA
C
199
24.161
7.083
59.118
1.00
32.75
O

ATOM
4470
N
ASP
C
200
22.802
8.803
59.377
1.00
35.38
N

ATOM
4471
CA
ASP
C
200
23.349
9.238
50.679
1.00
36.79
C

ATOM
4472
CB
ASP
C
200
24.075
10.580
60.506
1.00
36.28
C

ATOM
4473
CG
ASP
C
200
25.348
10.525
59.794
1.00
45.55
C

ATOM
4474
OD1
ASP
C
200
26.073
9.491
59.781
1.00
39.84
O

ATOM
4475
OD2
ASP
C
200
25.049
11.570
59.188
1.00
40.63
O

ATOM
4476
C
ASP
C
200
22.154
9.388
61.618
1.00
36.49
C

ATOM
4477
O
ASP
C
200
21.206
10.089
61.285
1.00
32.64
O

ATOM
4478
N
ASP
C
200
22.387
8.755
62.787
1.00
32.78
N

ATOM
4479
CA
PHE
C
201
21.202
8.752
63.794
1.00
33.69
C

ATOM
4480
CB
PHE
C
201
20.802
7.311
64.124
1.00
34.25
C

ATOM
4481
CG
PHE
C
201
20.477
6.485
62.939
1.00
42.78
C

ATOM
4482
CD1
PHE
C
201
19.180
6.469
62.421
1.00
33.52
C

ATOM
4483
CE1
PHE
C
201
18.885
5.693
61.299
1.00
41.79
C

ATOM
4484
CZ
PHE
C
201
19.891
4.981
60.690
1.00
33.28
C

ATOM
4485
CE2
PHE
C
201
21.168
4.990
61.206
1.00
37.68
C

ATOM
4486
CD2
PHE
C
201
21.459
5.717
62.329
1.00
38.95
C

ATOM
4487
C
PHE
C
201
21.693
9.388
65.081
1.00
35.66
C

ATOM
4488
O
PHE
C
201
22.787
9.075
65.508
1.00
32.85
O

ATOM
4489
N
GLU
C
202
20.898
10.295
65.672
1.00
36.02
N

ATOM
4490
CA
GLU
C
202
21.192
10.934
66.970
1.00
39.75
C

ATOM
4491
CB
GLU
C
202
21.193
12.473
66.850
1.00
40.75
C

ATOM
4492
CG
GLU
C
202
22.524
13.173
66.983
1.00
55.45
C

ATOM
4493
CD
GLU
C
202
22.441
14.612
67.527
1.00
48.70
C

ATOM
4494
CE1
GLU
C
202
21.644
14.903
68.459
1.00
47.68
O

ATOM
4495
CE2
GLU
C
202
23.200
15.450
67.008
1.00
51.55
O

ATOM
4496
C
GLU
C
202
20.080
10.552
67.960
1.00
37.45
C

ATOM
4497
O
GLU
C
202
18.889
10.662
67.632
1.00
34.68
O

ATOM
4498
N
ASN
C
203
20.475
10.141
69.182
1.00
32.70
N

ATOM
4499
CA
ASN
C
203
19.554
9.824
70.252
1.00
32.69
C

ATOM
4500
CB
ASN
C
203
19.486
8.292
70.529
1.00
32.80
C

ATOM
4501
CG
ASN
C
203
18.485
7.957
71.364
1.00
30.41
O

ATOM
4502
OD1
ASN
C
203
17.670
8.811
72.005
1.00
32.87
O

ATOM
4503
ND2
ASN
C
2037
18.593
6.767
72.229
1.00
28.58
N

ATOM
4504
C
ASN
C
203
19.954
10.541
71.552
1.00
32.12
C

ATOM
4505
O
ASN
C
203
20.806
10.053
72.203
1.00
31.66
O

ATOM
4506
N
THR
C
204
19.328
11.676
71.862
1.00
34.42
N

ATOM
4507
CA
THR
C
204
19.508
12.840
73.175
1.00
37.68
C

ATOM
4508
CB
THR
C
204
19.682
13.861
72.999
1.00
40.02
C

ATOM
4509
OG1
THR
C
204
18.557
14.360
72.299
1.00
35.94
O

ATOM
4510
OG2
THR
C
204
20.932
14.215
72.171
1.00
44.34
C

ATOM
4511
C
THR
C
204
18.299
12.089
74.102
1.00
37.53
C

ATOM
4512
O
THR
C
204
18.109
12.703
75.100
1.00
37.02
O

ATOM
4513
N
SER
C
205
17.378
11.221
73.889
1.00
37.86
N

ATOM
4514
CA
SER
C
205
16.211
10.928
74.533
1.00
37.04
C

ATOM
4515
CB
SER
C
205
15.073
10.367
73.687
1.00
37.12
C

ATOM
4516
OG
SER
C
205
15.347
9.019
73.365
1.00
37.11
O

ATOM
4517
C
SER
C
205
16.587
9.888
75.581
1.00
37.59
C

ATOM
4518
O
SER
C
205
17.682
9.315
75.513
1.00
35.76
O

ATOM
4519
N
SER
C
206
15.654
9.580
76.494
1.00
35.06
N

ATOM
4520
CA
SER
C
206
15.898
8.592
77.547
1.00
38.04
C

ATOM
4521
CB
SER
C
206
14.959
8.834
78.735
1.00
38.73
O

ATOM
4522
OG
SER
C
206
13.618
8.647
78.315
1.00
37.10
O

ATOM
4523
C
SER
C
206
15.749
7.140
77.106
1.00
37.76
C

ATOM
4524
O
SER
C
206
15.972
6.216
77.912
1.00
38.18
O

ATOM
4525
N
ARG
C
207
15.877
8.930
75.850
1.00
37.17
N

ATOM
4526
CA
ARG
C
207
15.010
5.596
75.351
1.00
37.33
O

ATOM
4527
CB
ARG
C
207
13.795
5.659
74.382
1.00
38.85
C

ATOM
4528
CG
ARG
C
207
12.426
5.750
75.050
1.00
44.03
C

ATOM
4529
CD
ARG
C
207
12.104
7.164
75.478
1.00
51.73
C

ATOM
4530
NE
ARG
C
207
10.850
7.352
76.800
1.00
54.46
N

ATOM
4531
CZ
ARG
C
207
10.410
8.520
76.546
1.00
55.81
C

ATOM
4532
NH1
ARG
C
207
11.193
9.594
76.512
1.00
43.05
N

ATOM
4533
NH2
ARG
C
207
9.187
8.611
77.059
1.00
59.23
N

ATOM
4534
C
ARG
C
207
16.102
5.021
74.600
1.00
35.76
C

ATOM
4535
O
ARG
C
207
17.057
5.765
74.165
1.00
34.96
O

ATOM
4536
N
ILE
C
208
16.214
3.698
74.473
1.00
34.83
N

ATOM
4537
CA
ILE
C
208
17.100
2.999
73.585
1.00
34.87
C

ATOM
4538
CB
ILE
C
208
17.449
1.612
74.125
1.00
33.21
C

ATOM
4539
CG1
ILE
C
208
18.142
1.721
75.508
1.00
37.95
C

ATOM
4540
CD1
ILE
C
208
18.248
0.394
76.238
1.00
43.29
C

ATOM
4541
CG2
ILE
C
208
18.391
0.891
73.194
1.00
34.69
C

ATOM
4542
C
ILE
C
208
15.253
2.853
72.315
1.00
36.94
C

ATOM
4543
O
ILE
C
208
15.133
2.295
72.371
1.00
36.60
O

ATOM
4544
N
VAL
C
209
16.781
3.385
71.213
1.00
37.18
N

ATOM
4545
CA
VAL
C
209
16.111
3.450
60.884
1.00
33.21
C

ATOM
4546
CB
VAL
C
209
15.945
4.926
69.366
1.00
34.07
C

ATOM
4547
CG1
VAL
C
209
15.324
5.837
70.480
1.00
30.26
C

ATOM
4548
CG2
VAL
C
209
17.257
5.540
68.854
1.00
26.82
C

ATOM
4549
C
VAL
C
209
16.830
2.517
68.886
1.00
34.74
C

ATOM
4550
O
VAL
C
209
17.974
2.089
69.112
1.00
36.97
O

ATOM
4551
N
VAL
C
210
16.141
2.139
67.814
1.00
34.17
N

ATOM
4552
CA
VAL
C
210
16.638
1.103
66.937
1.00
36.52
C

ATOM
4553
CB
VAL
C
210
15.900
−0.240
87.147
1.00
35.95
C

ATOM
4554
CG1
VAL
C
210
16.494
−1.321
66.212
1.00
33.01
C

ATOM
4555
CG2
VAL
C
210
15.971
−0.680
67.619
1.00
41.86
C

ATOM
4556
C
VAL
C
210
16.433
1.538
65.510
1.00
37.90
C

ATOM
4557
O
VAL
C
210
15.281
1.679
65.073
1.00
38.65
O

ATOM
4558
N
PRO
C
211
17.535
1.751
64.777
1.00
38.74
N

ATOM
4559
CA
PRO
C
211
17.439
2.163
63.395
1.00
36.34
C

ATOM
4560
CB
PRO
C
211
18.799
2.770
63.131
1.00
38.03
C

ATOM
4561
CG
PRO
C
211
18.749
2.018
64.046
1.00
38.02
C

ATOM
4562
CD
PRO
C
211
18.931
1.553
65.211
1.00
39.58
C

ATOM
4563
C
PRO
C
211
17.149
0.962
62.491
1.00
39.74
C

ATOM
4564
O
PRO
C
211
17.674
−0.127
62.721
1.00
34.62
O

ATOM
4565
N
LYS
C
212
16.285
1.155
61.481
1.00
38.87
N

ATOM
4566
CA
LYS
C
212
15.868
0.064
60.604
1.00
37.51
C

ATOM
4567
CB
LYS
C
212
14.557
−0.538
61.102
1.00
32.75
C

ATOM
4568
CG
LYS
C
212
14.684
−1.254
62.401
1.00
37.11
C

ATOM
4569
CD
LYS
C
212
13.368
−1.563
63.025
1.00
38.33
C

ATOM
4570
CE
LYS
C
212
13.540
−2.223
64.347
1.00
38.38
C

ATOM
4571
NZ
LYS
C
212
12.210
−2.566
64.898
1.00
46.63
N

ATOM
4572
C
LYS
C
212
15.616
0.661
59.250
1.00
36.89
C

ATOM
4573
O
LYS
C
212
15.295
1.825
59.162
1.00
36.20
O

ATOM
4574
N
ALA
C
213
15.733
−0.143
58.202
1.00
37.38
N

ATOM
4575
CA
ALA
C
213
15.263
0.261
56.887
1.00
36.59
C

ATOM
4576
CB
ALA
C
213
16.399
0.757
56.012
1.00
35.84
C

ATOM
4577
C
ALA
C
213
14.517
−0.884
56.210
1.00
39.01
C

ATOM
4578
O
ALA
C
213
14.734
−2.058
56.512
1.00
39.62
O

ATOM
4579
N
ALA
C
214
13.641
−0.528
55.280
1.00
35.54
N

ATOM
4580
CA
ALA
C
214
12.838
−1.521
54.579
1.00
35.21
C

ATOM
4581
CB
ALA
C
214
11.582
−1.872
55.409
1.00
31.33
C

ATOM
4582
C
ALA
C
214
12.422
−0.976
58.216
1.00
36.27
C

ATOM
4583
O
ALA
C
214
12.103
0.222
53.106
1.00
35.63
O

ATOM
4584
N
ILE
C
215
12.433
−1.850
52.197
1.00
36.96
N

ATOM
4585
CA
ILE
C
215
11.745
−1.580
50.923
1.00
39.38
C

ATOM
4586
CB
ILE
C
215
12.409
−2.227
49.661
1.00
40.89
C

ATOM
4587
CG1
ILE
C
215
13.865
−1.765
49.501
1.00
40.76
C

ATOM
4588
CD1
ILE
C
215
14.785
2.759
40.666
1.00
45.59
C

ATOM
4589
CG2
ILE
C
215
11.559
−1.834
48.419
1.00
38.65
C

ATOM
4590
C
ILE
C
215
10.289
−1.985
51.002
1.00
38.57
C

ATOM
4591
O
ILE
C
215
9.951
−3.098
51.396
1.00
36.54
O

ATOM
4592
N
VAL
C
216
9.418
−1.048
50.683
1.00
38.30
N

ATOM
4593
CA
VAL
C
216
7.994
−1.299
50.757
1.00
36.91
C

ATOM
4594
CB
VAL
C
216
7.383
−0.447
51.854
1.00
37.62
C

ATOM
4595
CG1
VAL
C
216
5.892
−0.712
51.968
1.00
44.94
C

ATOM
4596
CG2
VAL
C
216
8.121
−0.803
53.250
1.00
33.61
C

ATOM
4597
C
VAL
C
216
7.353
−1.097
49.361
1.00
37.22
C

ATOM
4598
O
VAL
C
216
7.651
−0.135
48.693
1.00
39.21
O

ATOM
4599
N
ALA
C
217
6.564
−2.090
48.927
1.00
39.41
N

ATOM
4600
CA
ALA
C
217
5.910
−2.134
47.596
1.00
36.58
C

ATOM
4601
CB
ALA
C
217
6.141
−3.488
46.968
1.00
31.33
C

ATOM
4602
C
ALA
C
217
4.442
−1.945
47.788
1.00
35.05
C

ATOM
4603
O
ALA
C
217
3.850
−2.596
48.659
1.00
33.58
O

ATOM
4604
N
ARG
C
218
3.848
−1.056
47.003
1.00
32.43
N

ATOM
4605
CA
ARG
C
218
2.406
−0.878
46.990
1.00
35.05
C

ATOM
4606
CB
ARG
C
218
2.055
0.599
47.181
1.00
34.39
C

ATOM
4607
CG
ARG
C
218
2.464
1.133
48.514
1.00
54.39
C

ATOM
4608
CD
ARG
C
218
2.295
2.630
48.527
1.00
60.96
C

ATOM
4609
NE
ARG
C
218
3.532
3.305
48.151
1.00
68.85
N

ATOM
4610
CZ
ARG
C
218
4.572
3.421
48.971
1.00
64.90
C

ATOM
4611
NH1
ARG
C
218
4.534
2.910
50.202
1.00
61.40
N

ATOM
4612
NH2
ARG
C
218
5.637
4.057
48.556
1.00
55.42
N

ATOM
4613
C
ARG
C
218
2.001
−1.283
45.617
1.00
33.67
C

ATOM
4614
O
ARG
C
218
2.313
−0.573
44.661
1.00
33.47
O

ATOM
4615
N
HIS
C
219
1.353
−2.437
45.510
1.00
32.42
N

ATOM
4616
CA
HIS
C
219
0.897
−2.940
44.228
1.00
31.89
C

ATOM
4617
CB
HIS
C
219
0.849
−4.492
44.289
1.00
28.88
C

ATOM
4618
CG
HIS
C
219
2.096
−5.089
44.859
1.00
33.23
C

ATOM
4619
ND1
HIS
C
219
3.145
−5.50
44.065
1.00
39.87
N

ATOM
4620
CE1
HIS
C
219
4.128
−5.949
44.838
1.00
42.99
C

ATOM
4621
NE2
HIS
C
219
3.751
−5.838
46.102
1.00
41.38
N

ATOM
4622
CD2
HIS
C
219
2.489
−5.291
46.143
1.00
26.43
C

ATOM
4623
C
HIS
C
219
−0.493
−2.455
43.983
1.00
32.97
C

ATOM
4624
O
HIS
C
219
−1.378
−2.775
44.784
1.00
32.79
C

ATOM
4625
N
THR
C
220
−0.722
−1.749
42.864
1.00
35.88
N

ATOM
4626
CA
THR
C
220
−2.101
−1.314
42.497
1.00
36.79
C

ATOM
4627
CB
THR
C
220
−2.133
0.051
41.865
1.00
36.68
C

ATOM
4628
OG1
THR
C
220
−1.641
1.006
42.805
1.00
39.72
O

ATOM
4629
CG2
THR
C
220
−3.503
0.435
41.44
1.00
47.52
C

ATOM
4630
C
THR
C
220
−2.652
−2.355
41.576
1.00
38.36
C

ATOM
4631
O
THR
C
220
−1.987
−2.782
40.608
1.00
35.05
O

ATOM
4632
N
TYR
C
221
−3.847
−2.834
41.935
1.00
37.95
N

ATOM
4633
CA
TYR
C
221
−4.491
−3.870
41.170
1.00
41.27
C

ATOM
4634
CB
TYR
C
221
−4.143
−5.221
41.760
1.00
43.64
C

ATOM
4635
CG
TYR
C
221
−4.792
−5.499
43.097
1.00
47.78
C

ATOM
4636
CD1
TYR
C
221
−4.331
−4.892
44.271
1.00
48.68
C

ATOM
4637
CE1
TYR
C
221
−4.929
−5.168
45.503
1.00
46.09
C

ATOM
4638
CZ
TYR
C
221
−6.000
−6.061
45.546
1.00
52.54
C

ATOM
4639
OH
TYR
C
221
−6.612
6.345
46.742
1.00
49.42
O

ATOM
4640
CE2
TYR
C
221
−6.468
−6.680
44.386
1.00
44.26
C

ATOM
4641
CD2
TYR
C
221
−5.854
−6.403
43.184
1.00
54.30
C

ATOM
4642
C
TYR
C
221
−5.986
−3.580
41.118
1.00
42.79
C

ATOM
4643
O
TYR
C
221
−6.485
−2.730
41.874
1.00
43.59
O

ATOM
4644
N
LEU
C
222
−6.674
−4.220
40.169
1.00
44.82
N

ATOM
4645
CA
LEU
C
222
−8.122
−4.018
39.911
1.00
43.26
C

ATOM
4646
CB
LEU
C
222
−8.408
−3.956
38.393
1.00
43.03
C

ATOM
4647
CG
LEU
C
222
−7.843
−2.775
37.575
1.00
49.28
C

ATOM
4648
CD1
LEU
C
222
−8.137
−2.836
36.052
1.00
48.56
C

ATOM
4649
CD2
LEU
C
222
−8.197
−1.354
38.125
1.00
47.51
C

ATOM
4650
C
LEU
C
222
−8.829
−5.199
40.519
1.00
45.31
C

ATOM
4651
O
LEU
C
222
−8.446
−8.338
40.261
1.00
45.76
O

ATOM
4652
N
ALA
C
223
−9.833
−4.976
41.365
1.00
49.63
N

ATOM
4653
CA
ALA
C
223
−10.408
−6.158
42.054
1.00
57.50
C

ATOM
4654
CB
ALA
C
223
−9.790
−6.353
43.440
1.00
57.79
C

ATOM
4655
C
ALA
C
223
−11.934
−6.230
42.120
1.00
61.34
C

ATOM
4656
O
ALA
C
223
−12.500
−7.173
42.672
1.00
64.73
O

ATOM
4657
N
ASN
C
224
−12.590
−5.237
41.537
1.00
67.84
N

ATOM
4658
CA
ASN
C
224
−14.040
−5.301
41.273
1.00
68.65
C

ATOM
4659
CB
ASN
C
224
−14.494
−6.702
40.825
1.00
70.16
C

ATOM
4660
CG
ASN
C
224
−13.648
−7.264
39.677
1.00
76.47
C

ATOM
4661
OD1
ASN
C
224
−12.704
−6.621
39.195
1.00
79.81
O

ATOM
4662
ND2
ASN
C
224
−13.981
−8.480
39.244
1.00
80.93
N

ATOM
4663
C
ASN
C
224
−14.873
−4.786
42.442
1.00
68.64
C

ATOM
4664
O
ASN
C
224
−15.000
−5.432
43.498
1.00
70.17
O

ATOM
4665
N
GLY
C
225
−15.416
−3.594
42.238
1.00
65.8
N

ATOM
4666
CA
GLY
C
225
−15.160
−2.858
40.997
1.00
59.93
C

ATOM
4667
C
GLY
C
225
−14.311
−1.671
41.368
1.00
57.94
C

ATOM
4668
O
GLY
C
225
−14.696
−0.500
41.157
1.00
56.59
O

ATOM
4669
N
GLN
C
226
−13.151
−1.975
41.948
1.00
52.85
N

ATOM
4670
CA
GLN
C
226
−12.268
−0.940
42.427
1.00
51.26
C

ATOM
4671
CB
GLN
C
226
−12.269
−0.889
43.967
1.00
50.42
C

ATOM
4672
CG
GLN
C
226
−13.643
−0.826
44.706
1.00
49.93
C

ATOM
4673
CD
GLN
C
226
−13.496
−1.231
45.184
1.00
50.98
C

ATOM
4674
OE1
GLN
C
226
−14.148
−2.176
46.651
1.00
40.66
O

ATOM
4675
NE2
GLN
C
226
−12.583
−0.560
46.902
1.00
42.90
N

ATOM
4676
C
GLN
C
226
−10.825
−1.141
41.970
1.00
48.37
C

ATOM
4677
O
GLN
C
226
−10.370
−2.251
41.632
1.00
42.38
O

ATOM
4678
N
THR
C
227
−10.113
−0.022
41.992
1.00
49.57
N

ATOM
4679
CA
THR
C
227
−8.686
−0.022
42.095
1.00
49.74
C

ATOM
4680
CB
THR
C
227
−8.136
1.289
41.532
1.00
52.39
C

ATOM
4681
OG1
THR
C
227
−8.584
1.430
40.168
1.00
51.22
O

ATOM
4682
CG2
THR
C
227
−6.620
1.277
41.546
1.00
48.72
C

ATOM
4683
C
THR
C
227
−8.359
−0.139
43.601
1.00
49.81
C

ATOM
4684
O
THR
C
227
−8.858
0.662
44.425
1.00
47.56
O

ATOM
4685
N
LYS
C
228
−7.563
−1.150
43.953
1.00
47.41
N

ATOM
4686
CA
LYS
C
228
−7.057
−1.329
45.333
1.00
44.57
C

ATOM
4687
CB
LYS
C
228
−7.601
−2.633
45.931
1.00
46.20
C

ATOM
4688
CG
LYS
C
228
−9.127
−2.778
45.856
1.00
48.24
C

ATOM
4689
CD
LYS
C
228
−9.524
−4.187
46.230
1.00
50.79
C

ATOM
4690
CE
LYS
C
228
−10.997
−4.293
46.587
1.00
58.30
C

ATOM
4691
NZ
LYS
C
228
−11.171
−5.443
47.540
1.00
49.57
N

ATOM
4692
C
LYS
C
228
−5.518
−1.327
45.385
1.00
46.92
C

ATOM
4693
O
LYS
C
228
−4.860
−1.422
44.345
1.00
43.91
O

ATOM
4694
N
VAL
C
229
−4.959
−1.233
46.594
1.00
42.56
N

ATOM
4695
CA
VAL
C
229
−3.512
−1.184
46.788
1.00
42.54
C

ATOM
4696
CB
VAL
C
229
−3.048
0.188
47.322
1.00
44.84
C

ATOM
4697
CG1
VAL
C
229
−1.523
0.212
47.559
1.00
42.80
C

ATOM
4698
CG2
VAL
C
229
−3.456
1.344
46.380
1.00
42.73
C

ATOM
4699
C
VAL
C
229
−3.169
−2.251
47.823
1.00
44.28
C

ATOM
4700
O
VAL
C
229
−3.783
−2.267
48.899
1.00
42.01
O

ATOM
4701
N
LEU
C
230
−2.265
−3.104
47.472
1.00
43.72
N

ATOM
4702
CA
LEU
C
230
−1.707
−4.135
48.442
1.00
38.55
C

ATOM
4703
CB
LEU
C
230
−1.667
−5.577
47.904
1.00
39.26
C

ATOM
4704
CG
LEU
C
230
−0.734
−6.441
48.765
1.00
37.31
C

ATOM
4705
CD1
LEU
C
230
−1.511
−7.056
49.902
1.00
47.09
C

ATOM
4706
CD2
LEU
C
230
0.015
−7.519
48.014
1.00
45.45
C

ATOM
4707
C
LEU
C
230
−0.318
−3.675
48.775
1.00
35.18
C

ATOM
4708
O
LEU
C
230
0.505
−3.534
47.872
1.00
36.27
O

ATOM
4709
N
THR
C
231
−0.066
−3.404
50.060
1.00
30.95
N

ATOM
4710
CA
THR
C
231
1.214
−2.929
50.543
1.00
35.53
C

ATOM
4711
CB
THR
C
231
1.028
−1.759
51.543
1.00
37.99
C

ATOM
4712
OG1
THR
C
231
0.199
−0.748
50.933
1.00
43.83
O

ATOM
4713
CG2
THR
C
231
2.339
−1.092
81.844
1.00
43.50
C

ATOM
4714
C
THR
C
231
1.988
−4.146
81.104
1.00
33.53
C

ATOM
4715
O
THR
C
231
1.449
−4.991
51.838
1.00
33.56
O

ATOM
4716
N
GLN
C
232
3.236
−4.244
50.721
1.00
34.20
N

ATOM
4717
CA
GLN
C
232
4.046
−5.415
51.040
1.00
34.20
C

ATOM
4718
CB
GLN
C
232
4.045
−6.359
49.821
1.00
39.01
C

ATOM
4719
CG
GLN
C
232
5.038
−7.497
49.875
1.00
39.07
C

ATOM
4720
CD
GLN
C
232
5.045
−8.378
48.616
1.00
48.70
C

ATOM
4721
OE1
GLN
C
232
4.936
−7.695
47.484
1.00
45.93
O

ATOM
4722
NE2
GLN
C
232
5.229
−9.676
48.815
1.00
50.92
N

ATOM
4723
C
GLN
C
232
5.453
−4.991
51.442
1.00
35.83
C

ATOM
4724
O
GLN
C
232
6.137
−4.314
50.678
1.00
35.88
O

ATOM
4725
N
LYS
C
233
5.904
−5.424
52.639
1.00
36.14
N

ATOM
4726
CA
LYS
C
233
7.315
−5.255
53.046
1.00
35.84
C

ATOM
4727
CB
LYS
C
233
7.454
−5.522
54.531
1.00
38.79
C

ATOM
4728
CG
LYS
C
233
8.838
−5.208
55.131
1.00
45.70
C

ATOM
4729
CD
LYS
C
233
8.585
−5.176
56.558
1.00
46.86
C

ATOM
4730
CE
LYS
C
233
9.914
−5.589
57.376
1.00
46.33
C

ATOM
4731
NZ
LYS
C
233
9.677
−5.587
58.864
1.00
55.45
N

ATOM
4732
C
LYS
C
233
8.197
−6.244
52.588
1.00
39.85
C

ATOM
4733
O
LYS
C
233
7.997
−7.449
52.396
1.00
33.24
O

ATOM
4734
N
LEU
C
234
9.144
−5.743
51.495
1.00
36.44
N

ATOM
4735
CA
LEU
C
234
10.108
−6.623
50.853
1.00
41.99
C

ATOM
4736
CB
LEU
C
234
10.498
−6.074
49.485
1.00
36.98
C

ATOM
4737
CG
LEU
C
234
9.266
−5.795
48.588
1.00
44.00
C

ATOM
4738
CD1
LEU
C
234
9.627
−5.202
47.233
1.00
36.36
C

ATOM
4739
CD2
LEU
C
234
8.487
−7.071
48.416
1.00
39.03
C

ATOM
4740
C
LEU
C
234
11.329
−6.758
51.804
1.00
45.54
C

ATOM
4741
O
LEU
C
234
11.203
−7.140
52.975
1.00
47.52
O

ATOM
4742
N
SER
C
235
12.506
−6.438
51.324
1.00
44.33
N

ATOM
4743
CA
SER
C
235
13.685
−6.650
52.131
1.00
43.72
C

ATOM
4744
CB
SER
C
235
14.917
−6.553
51.254
1.00
46.14
C

ATOM
4745
OG
SER
C
235
14.656
−5.656
50.205
1.00
53.56
O

ATOM
4746
C
SER
C
235
13.732
−5.596
53.232
1.00
43.84
C

ATOM
4747
O
SER
C
235
13.234
−4.459
53.050
1.00
43.50
O

ATOM
4748
N
SER
C
236
14.313
−5.978
54.367
1.00
43.56
N

ATOM
4749
CA
SER
C
236
14.580
−5.036
55.444
1.00
40.15
C

ATOM
4750
CB
SER
C
236
13.457
−5.045
56.480
1.00
41.23
C

ATOM
4751
OG
SER
C
236
13.258
−6.334
57.004
1.00
44.66
O

ATOM
4752
C
SER
C
236
15.927
−5.340
56.106
1.00
44.83
C

ATOM
4753
O
SER
C
236
16.475
−6.450
55.946
1.00
38.46
O

ATOM
4754
N
VAL
C
237
16.465
−4.325
56.800
1.00
42.09
N

ATOM
4755
CA
VAL
C
237
17.617
−4.489
57.898
1.00
44.19
C

ATOM
4756
CB
VAL
C
237
18.933
−3.914
57.099
1.00
42.81
C

ATOM
4757
CG1
VAL
C
237
19.467
−4.809
55.954
1.00
52.21
C

ATOM
4758
CG2
VAL
C
237
18.750
−2.496
56.647
1.00
43.52
C

ATOM
4759
C
VAL
C
237
17.364
−3.819
59.052
1.00
44.04
C

ATOM
4760
O
VAL
C
237
16.510
−2.943
59.179
1.00
39.24
O

ATOM
4761
N
ARG
C
238
18.156
−4.231
60.036
1.00
45.59
N

ATOM
4762
CA
ARG
C
238
18.136
−3.718
61.400
1.00
49.43
C

ATOM
4763
CB
ARG
C
238
17.725
−4.862
62.305
1.00
49.57
C

ATOM
4764
CG
ARG
C
238
17.236
−4.481
63.666
1.00
59.15
C

ATOM
4765
CD
ARG
C
238
17.023
−5.742
64.484
1.00
62.64
C

ATOM
4766
NE
ARG
C
238
16.059
−5.531
65.558
1.00
72.25
N

ATOM
4767
CZ
ARG
C
238
16.387
−5.206
66.806
1.00
79.94
C

ATOM
4768
NH1
ARG
C
238
17.667
5.055
67.153
1.00
80.50
N

ATOM
4769
NH2
ARG
C
238
15.431
−5.027
67.713
1.00
83.68
N

ATOM
4770
C
ARG
C
238
19.565
−3.281
61.775
1.00
49.72
C

ATOM
4771
O
ARG
C
238
20.512
−4.007
61.510
1.00
47.62
O

ATOM
4772
N
GLY
C
239
19.731
−2.112
62.385
1.00
47.12
N

ATOM
4773
CA
GLY
C
239
21.046
−1.724
62.906
1.00
42.75
C

ATOM
4774
C
GLY
C
239
21.167
−2.038
64.394
1.00
42.67
C

ATOM
4775
O
GLY
C
239
20.216
−2.503
65.012
1.00
41.52
O

ATOM
4776
N
ASN
C
240
22.322
−1.765
64.991
1.00
42.07
N

ATOM
4777
CA
ASN
C
240
22.484
−1.942
66.440
1.00
42.50
C

ATOM
4778
CB
ASN
C
240
23.931
−1.656
66.844
1.00
42.48
C

ATOM
4779
CG
ASN
C
240
24.929
−2.432
66.032
1.00
54.77
C

ATOM
4780
OD1
ASN
C
240
25.860
−1.847
65.459
1.00
51.83
O

ATOM
4781
ND2
ASN
C
240
24.772
−3.764
65.999
1.00
49.18
N

ATOM
4782
C
ASN
C
240
21.570
−0.963
67.171
1.00
39.38
C

ATOM
4783
O
ASN
C
240
21.226
0.091
66.612
1.00
39.76
O

ATOM
4784
N
HIS
C
241
21.141
−1.324
68.369
1.00
41.52
N

ATOM
4785
CA
HIS
C
241
20.437
−0.398
69.277
1.00
44.87
C

ATOM
4786
CB
HIS
C
241
20.811
−1.065
70.633
1.00
48.81
C

ATOM
4787
CG
HIS
C
241
19.087
−2.095
70.629
1.00
65.93
C

ATOM
4788
ND1
HIS
C
241
19.172
−3.278
69.924
1.00
80.90
N

ATOM
4789
CE1
HIS
C
241
18.077
−3.993
70.127
1.00
76.16
C

ATOM
4790
NE2
HIS
C
241
17.295
−3.329
70.959
1.00
73.70
N

ATOM
4791
CD2
HIS
C
241
17.905
−2.142
71.294
1.00
74.91
C

ATOM
4792
C
HIS
C
241
21.305
0.864
69.526
1.00
44.06
C

ATOM
4793
O
HIS
C
241
22.541
0.800
69.530
1.00
42.54
O

ATOM
4794
N
ILE
C
242
20.654
1.998
69.755
1.00
41.47
N

ATOM
4795
CA
ILE
C
242
21.354
3.251
69.981
1.00
35.75
C

ATOM
4796
CB
ILE
C
242
21.001
4.263
68.880
1.00
35.25
O

ATOM
4797
CG1
ILE
C
242
21.468
3.738
67.517
1.00
38.48
C

ATOM
4798
CD1
ILE
C
242
21.182
4.714
66.298
1.00
36.60
C

ATOM
4799
CG2
ILE
C
242
21.693
5.665
69.186
1.00
32.94
C

ATOM
4800
C
ILE
C
242
20.937
3.775
71.348
1.00
37.25
C

ATOM
4801
O
ILE
C
242
19.782
4.167
71.549
1.00
36.32
O

ATOM
4802
N
ILE
C
243
21.870
3.774
72.304
1.00
37.37
N

ATOM
4803
CA
ILE
C
243
21.525
4.041
73.680
1.00
33.86
C

ATOM
4804
CB
ILE
C
243
22.549
3.445
74.653
1.00
38.64
C

ATOM
4805
CG1
ILE
C
243
23.923
4.170
74.567
1.00
30.38
C

ATOM
4806
CD1
ILE
C
243
24.947
3.786
75.781
1.00
30.14
C

ATOM
4807
CG2
ILE
C
243
22.662
1.926
74.437
1.00
35.90
C

ATOM
4808
C
ILE
C
243
21.404
5.550
73.865
1.00
34.76
C

ATOM
4809
O
ILE
C
243
21.877
5.311
73.030
1.00
32.83
O

ATOM
4810
N
SER
C
244
20.753
5.965
74.942
1.00
30.46
N

ATOM
4811
CA
SER
C
244
20.592
7.373
75.265
1.00
34.12
C

ATOM
4812
CB
SER
C
244
19.947
7.491
76.633
1.00
35.34
C

ATOM
4813
CG
SER
C
244
19.771
8.846
76.994
1.00
35.67
O

ATOM
4814
C
SER
C
244
21.940
8.075
75.274
1.00
35.39
C

ATOM
4815
O
SER
C
244
22.894
7.583
75.895
1.00
36.41
O

ATOM
4816
N
GLY
C
245
22.038
9.197
74.565
1.00
33.64
N

ATOM
4817
CA
GLY
C
245
23.250
10.021
74.597
1.00
37.32
C

ATOM
4818
C
GLY
C
245
24.354
9.572
73.649
1.00
37.52
C

ATOM
4819
O
GLY
C
245
25.542
9.765
73.940
1.00
38.32
O

ATOM
4820
N
THR
C
246
23.983
8.955
72.527
1.00
36.46
N

ATOM
4821
CA
THR
C
246
24.959
8.596
71.494
1.00
32.98
C

ATOM
4822
CB
THR
C
246
25.387
7.139
71.583
1.00
32.24
C

ATOM
4823
OG1
THR
C
246
24.257
6.287
71.318
1.00
33.41
O

ATOM
4824
CG2
THR
C
246
26.045
6.788
72.981
1.00
31.32
C

ATOM
4825
C
THR
C
246
24.373
8.787
70.113
1.00
36.77
C

ATOM
4826
O
THR
C
246
23.164
8.944
69.969
1.00
40.15
O

ATOM
4827
N
CYS
C
247
25.254
8.762
69.106
1.00
37.47
N

ATOM
4828
CA
CYS
C
247
24.929
8.803
67.705
1.00
36.65
C

ATOM
4829
CB
CYS
C
247
25.584
10.001
67.041
1.00
39.82
C

ATOM
4830
SG
CYS
C
247
25.143
11.616
67.656
1.00
44.36
S

ATOM
4831
C
CYS
C
247
25.509
7.574
67.044
1.00
36.26
C

ATOM
4832
O
CYS
C
247
26.406
6.948
67.588
1.00
37.29
O

ATOM
4833
N
ALA
C
248
24.985
7.204
65.881
1.00
36.31
N

ATOM
4834
CA
ALA
C
248
25.587
6.137
65.091
1.00
37.10
C

ATOM
4835
CB
ALA
C
248
24.973
4.797
65.401
1.00
37.38
C

ATOM
4836
C
ALA
C
248
25.350
6.457
63.673
1.00
36.33
C

ATOM
4837
O
ALA
C
248
24.537
7.315
63.370
1.00
38.78
O

ATOM
4838
N
SER
C
249
26.056
5.758
62.805
1.00
35.49
N

ATOM
4839
CA
SER
C
249
26.097
6.089
61.398
1.00
36.24
C

ATOM
4840
CB
SER
C
249
27.441
6.711
61.083
1.00
37.76
C

ATOM
4841
CG
SER
C
249
27.461
8.082
61.363
1.00
47.04
O

ATOM
4842
C
SER
C
249
26.043
4.788
60.641
1.00
38.10
C

ATOM
4843
O
SER
C
249
26.660
3.807
61.043
1.00
36.50
O

ATOM
4844
N
TRP
C
250
25.350
4.769
59.517
1.00
37.60
N

ATOM
4845
CA
TRP
C
250
25.553
3.629
58.601
1.00
38.70
C

ATOM
4846
CB
TRP
C
250
24.217
3.093
58.070
1.00
41.73
C

ATOM
4847
CG
TRP
C
250
23.269
2.417
50.077
1.00
30.20
C

ATOM
4848
CD1
TRP
C
250
23.550
1.933
60.330
1.00
37.79
C

ATOM
4849
NE1
TRP
C
250
22.399
1.365
60.892
1.00
32.46
N

ATOM
4850
CE2
TRP
C
250
21.390
1.499
59.958
1.00
32.27
C

ATOM
4851
CD2
TRP
C
250
21.903
2.103
58.826
1.00
36.81
C

ATOM
4852
CE3
TRP
C
250
21.042
2.351
57.743
1.00
40.13
C

ATOM
4853
CZ3
TRP
C
250
19.738
1.940
57.827
1.00
32.23
C

ATOM
4854
CH2
TRP
C
250
19.250
1.296
59.970
1.00
32.10
C

ATOM
4855
CZ2
TRP
C
250
20.065
1.044
60.055
1.00
39.52
C

ATOM
4856
C
TRP
C
250
26.388
4.172
57.445
1.00
37.50
C

ATOM
4857
O
TRP
C
250
26.138
5.257
56.947
1.00
37.67
O

ATOM
4858
N
ARG
C
251
27.382
3.419
57.012
1.00
40.41
N

ATOM
4859
CA
ARG
C
251
28.263
3.892
55.949
1.00
46.77
C

ATOM
4860
CB
ARG
C
251
29.706
3.960
56.434
1.00
46.07
C

ATOM
4861
CG
ARG
C
251
29.905
4.894
57.598
1.00
51.69
C

ATOM
4862
CD
ARG
C
251
31.324
4.759
58.185
1.00
70.97
C

ATOM
4863
NE
ARG
C
251
31.394
5.446
59.473
1.00
68.51
N

ATOM
4864
CZ
ARG
C
251
31.588
6.734
59.614
1.00
73.16
C

ATOM
4865
NH1
ARG
C
251
31.070
7.474
58.543
1.00
62.07
N

ATOM
4866
NH2
ARG
C
251
31.697
7.279
60.829
1.00
71.70
N

ATOM
4867
C
ARG
C
251
28.158
2.957
54.756
1.00
48.34
C

ATOM
4868
O
ARG
C
251
29.077
2.168
54.468
1.00
50.92
O

ATOM
4869
N
GLY
C
252
27.051
3.050
54.066
1.00
48.56
N

ATOM
4870
CA
GLY
C
252
26.833
2.207
52.915
1.00
49.48
C

ATOM
4871
C
GLY
C
252
26.304
0.869
53.380
1.00
51.07
C

ATOM
4872
O
GLY
C
252
25.792
−0.174
52.973
1.00
54.27
O

ATOM
4873
N
LYS
C
253
25.302
0.894
54.247
1.00
48.86
N

ATOM
4874
CA
LYS
C
253
24.676
−0.348
54.549
1.00
47.18
C

ATOM
4875
CB
LYS
C
253
23.891
−0.081
55.915
1.00
48.02
C

ATOM
4876
CG
LYS
C
253
22.638
−0.841
58.045
1.00
53.90
C

ATOM
4877
CD
LYS
C
253
22.833
−1.984
56.914
1.00
48.29
C

ATOM
4878
CE
LYS
C
253
22.391
−1.636
58.284
1.00
35.72
C

ATOM
4879
NZ
LYS
C
253
23.497
−2.141
59.156
1.00
47.37
N

ATOM
4880
C
LYS
C
253
23.779
−0.765
53.478
1.00
47.57
C

ATOM
4881
O
LYS
C
253
23.084
0.088
52.940
1.00
46.14
O

ATOM
4882
N
SER
C
254
23.801
−2.042
53.087
1.00
48.43
N

ATOM
4883
CA
SER
C
254
23.112
−2.491
51.863
1.00
50.36
C

ATOM
4884
CB
SER
C
254
24.009
−3.376
51.004
1.00
51.10
C

ATOM
4885
OG
SER
C
254
25.129
−3.837
51.732
1.00
61.92
O

ATOM
4886
C
SER
C
254
21.783
−3.187
52.067
1.00
50.94
C

ATOM
4887
O
SER
C
254
21.603
−3.999
52.981
1.00
48.79
O

ATOM
4888
N
LEU
C
255
20.845
−2.872
51.188
1.00
48.58
N

ATOM
4889
CA
LEU
C
255
19.589
−3.572
51.161
1.00
48.25
C

ATOM
4890
CB
LEU
C
255
18.497
−2.583
51.556
1.00
51.07
C

ATOM
4891
CG
LEU
C
255
17.135
−3.032
52.079
1.00
45.94
C

ATOM
4892
CD1
LEU
C
255
17.206
−4.380
52.730
1.00
52.46
C

ATOM
4893
CD2
LEU
C
255
16.719
−2.032
53.074
1.00
47.65
C

ATOM
4894
C
LEU
C
255
19.378
−4.152
49.743
1.00
49.28
C

ATOM
4895
O
LEU
C
255
19.602
−3.461
48.758
1.00
44.11
O

ATOM
4896
N
ARG
C
256
18.939
−5.404
49.639
1.00
52.39
N

ATOM
4897
CA
ARG
C
256
18.775
−6.031
48.327
1.00
55.06
C

ATOM
4898
CB
ARG
C
256
19.119
−7.523
48.351
1.00
58.10
C

ATOM
4899
CG
ARG
C
256
19.670
−8.034
46.999
1.00
61.83
C

ATOM
4900
CD
ARG
C
256
20.936
−8.877
47.158
1.00
75.52
C

ATOM
4901
NE
ARG
C
256
22.003
−8.128
47.831
1.00
83.33
N

ATOM
4902
CZ
ARG
C
256
23.027
−7.530
47.219
1.00
87.02
C

ATOM
4903
NH1
ARG
C
256
23.933
−6.868
47.936
1.00
85.75
N

ATOM
4904
NH2
ARG
C
256
23.159
−7.598
45.896
1.00
87.16
N

ATOM
4905
C
ARG
C
256
17.416
−5.770
47.671
1.00
55.54
C

ATOM
4906
O
ARG
C
256
16.341
−5.951
48.283
1.00
54.28
O

ATOM
4907
N
VAL
C
257
17.471
−5.356
46.416
1.00
55.93
N

ATOM
4908
CA
VAL
C
257
16.265
−5.227
45.604
1.00
55.80
C

ATOM
4909
CB
VAL
C
257
16.469
−4.227
44.453
1.00
55.58
C

ATOM
4910
CG1
VAL
C
257
15.134
−3.958
43.779
1.00
82.07
C

ATOM
4911
CG2
VAL
C
257
17.083
−2.922
44.930
1.00
48.30
C

ATOM
4912
C
VAL
C
257
16.014
−6.595
44.998
1.00
59.25
C

ATOM
4913
O
VAL
C
257
16.752
−7.000
44.115
1.00
58.87
O

ATOM
4914
N
GLN
C
258
15.014
−7.344
45.457
1.00
64.55
N

ATOM
4915
CA
GLN
C
258
14.793
−8.675
44.832
1.00
69.85
C

ATOM
4916
CB
GLN
C
258
14.621
−9.798
45.873
1.00
69.71
C

ATOM
4917
CG
GLN
C
258
14.437
−9.328
47.315
1.00
74.75
C

ATOM
4918
CD
GLN
C
258
12.982
−9.127
47.696
1.00
82.97
C

ATOM
4919
OE1
GLN
C
258
12.602
−9.315
48.860
1.00
88.00
O

ATOM
4920
NE2
GLN
C
258
12.153
−8.756
46.722
1.00
82.24
N

ATOM
4921
C
GLN
C
258
13.716
−8.699
43.717
1.00
72.73
C

ATOM
4922
O
GLN
C
258
12.980
−7.724
43.542
1.00
74.44
O

ATOM
4923
N
LYS
C
259
13.661
−9.804
42.965
1.00
75.60
N

ATOM
4924
CA
LYS
C
259
12.692
−10.025
41.866
1.00
78.62
C

ATOM
4925
CB
LYS
C
259
11.982
−11.372
42.040
1.00
79.25
C

ATOM
4926
CG
LYS
C
259
11.277
−11.866
40.781
1.00
81.82
C

ATOM
4927
CD
LYS
C
259
12.116
−12.885
40.022
1.00
82.89
C

ATOM
4928
CE
LYS
C
259
11.989
−14.269
40.649
1.00
86.09
C

ATOM
4929
NZ
LYS
C
259
12.101
−15.351
39.636
1.00
89.95
N

ATOM
4930
C
LYS
C
259
11.653
−8.904
41.619
1.00
80.21
C

ATOM
4931
O
LYS
C
259
10.505
−8.946
42.098
1.00
80.25
O

ATOM
4932
N
GLY
C
266
−2.541
−11.067
39.299
1.00
69.19
N

ATOM
4933
CA
GLY
C
266
−1.591
−11.066
38.180
1.00
68.54
C

ATOM
4934
C
GLY
C
266
−1.968
−10.071
37.090
1.00
67.69
C

ATOM
4935
O
GLY
C
266
−1.510
−8.923
37.104
1.00
67.88
O

ATOM
4936
N
SER
C
267
−2.807
−10.509
36.148
1.00
65.35
N

ATOM
4937
CA
SER
C
267
−3.254
−9.666
35.016
1.00
64.51
C

ATOM
4938
CB
SER
C
267
−4.184
−10.453
34.076
1.00
63.61
O

ATOM
4939
OG
SER
C
267
−3.433
−11.244
33.138
1.00
70.77
O

ATOM
4940
C
SER
C
267
−3.946
−8.359
35.433
1.00
61.17
C

ATOM
4941
O
SER
C
267
−3.950
−7.372
34.685
1.00
60.45
O

ATOM
4942
N
ASN
C
268
−4.551
−8.365
36.615
1.00
57.88
N

ATOM
4943
CA
ASN
C
268
−5.171
−7.169
37.125
1.00
55.97
C

ATOM
4944
CB
ASN
C
268
−6.455
−7.492
37.913
1.00
60.83
C

ATOM
4945
CG
ASN
C
268
−6.228
−8.524
39.021
1.00
67.37
C

ATOM
4946
OD1
ASN
C
268
−5.341
−9.378
38.922
1.00
74.04
O

ATOM
4947
ND2
ASN
C
268
−7.044
−8.453
40.080
1.00
73.89
N

ATOM
4948
C
ASN
C
268
−4.205
−6.291
37.920
1.00
54.59
C

ATOM
4949
O
ASN
C
268
−4.627
−5.255
38.407
1.00
53.91
O

ATOM
4950
N
ILE
C
269
−2.922
−6.689
38.020
1.00
49.11
N

ATOM
4951
CA
ILE
C
269
1.876
5.791
38.531
1.00
51.82
C

ATOM
4952
CB
ILE
C
269
−0.653
−6.588
39.151
1.00
46.96
C

ATOM
4953
CG1
ILE
C
269
0.130
−5.575
40.050
1.00
52.22
C

ATOM
4954
CD1
ILE
C
269
1.579
−5.439
39.731
1.00
52.19
C

ATOM
4955
CG2
ILE
C
269
0.202
−7.188
38.089
1.00
59.13
C

ATOM
4956
C
ILE
C
269
−1.429
−4.707
37.520
1.00
51.18
C

ATOM
4957
O
ILE
C
269
−0.910
−5.001
36.441
1.00
54.23
O

ATOM
4958
N
LEU
C
270
−1.622
−3.452
37.897
1.00
44.94
N

ATOM
4959
CA
LEU
C
270
−1.409
−2.353
36.995
1.00
39.26
C

ATOM
4960
CB
LEU
C
270
−2.474
−1.274
37.240
1.00
40.84
C

ATOM
4961
CG
LEU
C
270
−3.728
−1.366
36.350
1.00
48.90
C

ATOM
4962
CD1
LEU
C
270
−4.374
−2.704
36.496
1.00
54.52
C

ATOM
4963
CD2
LEU
C
270
−4.690
−0.275
36.720
1.00
50.65
C

ATOM
4964
C
LEU
C
270
−0.057
−1.768
37.162
1.00
35.25
O

ATOM
4965
O
LEU
C
270
0.616
−1.453
36.183
1.00
31.42
O

ATOM
4966
N
ARG
C
271
0.331
−1.559
38.423
1.00
32.56
N

ATOM
4967
CA
ARG
C
271
1.651
−1.002
38.680
1.00
34.32
C

ATOM
4968
CB
ARG
C
271
1.663
0.503
38.452
1.00
37.45
C

ATOM
4969
CG
ARG
C
271
0.549
1.254
39.090
1.00
44.05
C

ATOM
4970
CD
ARG
C
271
0.829
2.716
38.988
1.00
51.20
C

ATOM
4971
NE
ARG
C
271
0.067
3.516
39.950
1.00
58.24
N

ATOM
4972
CZ
ARG
C
271
−1.254
3.650
39.956
1.00
56.14
C

ATOM
4973
NH1
ARG
C
271
−2.038
2.987
39.076
1.00
40.54
N

ATOM
4974
NH2
ARG
C
271
−1.798
4.434
40.887
1.00
65.11
N

ATOM
4975
C
ARG
C
271
2.093
−1.265
40.093
1.00
31.60
C

ATOM
4976
O
ARG
C
271
1.324
−1.720
40.914
1.00
31.58
O

ATOM
4977
N
VAL
C
272
3.360
−0.999
40.363
1.00
35.94
N

ATOM
4978
CA
VAL
C
272
3.875
1.142
41.741
1.00
38.70
C

ATOM
4979
CB
VAL
C
272
4.774
−2.351
41.926
1.00
36.15
C

ATOM
4980
CG1
VAL
C
272
5.093
−2.601
43.462
1.00
33.38
C

ATOM
4981
CG2
VAL
C
272
4.190
−3.574
41.292
1.00
41.84
C

ATOM
4982
C
VAL
C
272
4.719
0.065
42.013
1.00
42.43
C

ATOM
4983
O
VAL
C
272
5.569
0.387
41.188
1.00
42.97
O

ATOM
4984
N
GLU
C
273
4.461
0.728
43.150
1.00
41.13
N

ATOM
4985
CA
GLU
C
273
5.237
1.878
43.618
1.00
42.70
C

ATOM
4986
CB
GLU
C
273
4.339
3.041
43.977
1.00
43.75
C

ATOM
4987
CG
GLU
C
273
3.510
3.515
42.774
1.00
56.69
C

ATOM
4988
CD
GLU
C
273
2.520
4.575
43.130
1.00
67.61
C

ATOM
4989
OE1
GLU
C
273
2.365
4.861
44.342
1.00
73.56
O

ATOM
4990
OE2
GLU
C
273
1.893
5.124
42.194
1.00
79.18
O

ATOM
4991
C
GLU
C
273
6.043
1.470
44.842
1.00
41.44
C

ATOM
4992
O
GLU
C
273
5.538
0.800
45.733
1.00
37.23
O

ATOM
4993
N
TYR
C
274
7.306
1.867
44.840
1.00
40.66
N

ATOM
4994
CA
TYR
C
274
8.279
1.383
45.788
1.00
40.35
C

ATOM
4995
CB
TYR
C
274
9.438
0.747
45.051
1.00
40.23
C

ATOM
4996
CG
TYR
C
274
9.120
−0.532
44.260
1.00
42.18
C

ATOM
4997
CD1
TYR
C
274
9.282
−1.769
44.850
1.00
38.02
C

ATOM
4998
CE1
TYR
C
274
9.058
−2.920
44.171
1.00
39.41
C

ATOM
4999
CZ
TYR
C
274
8.684
−2.876
42.864
1.00
43.84
C

ATOM
5000
OH
TYR
C
274
8.471
−4.078
42.279
1.00
42.68
O

ATOM
5001
CE2
TYR
C
274
8.492
−1.671
42.211
1.00
36.15
C

ATOM
5002
CD2
TYR
C
274
8.764
−0.493
42.916
1.00
42.60
C

ATOM
5003
C
TYR
C
274
8.795
2.563
46.852
1.00
40.71
C

ATOM
5004
O
TYR
C
274
8.963
3.657
46.058
1.00
39.78
O

ATOM
5005
N
SER
C
275
9.023
2.346
47.868
1.00
40.93
N

ATOM
5006
CA
SER
C
275
9.672
3.329
48.718
1.00
35.16
O

ATOM
5007
CB
SER
C
275
8.614
3.894
49.650
1.00
40.78
O

ATOM
5008
OG
SER
C
275
7.866
4.880
48.980
1.00
51.47
O

ATOM
5009
C
SER
C
275
10.696
2.617
49.568
1.00
36.34
O

ATOM
5010
O
SER
C
275
10.504
1.456
49.956
1.00
33.96
O

ATOM
5011
N
LEU
C
276
11.779
3.308
49.886
1.00
35.35
N

ATOM
5012
CA
LEU
C
276
12.694
2.838
50.910
1.00
35.10
C

ATOM
5013
CB
LEU
C
276
14.087
3.209
50.517
1.00
36.90
C

ATOM
5014
CG
LEU
C
276
15.206
3.092
51.552
1.00
36.11
C

ATOM
5015
CD1
LEU
C
276
15.457
1.657
51.922
1.00
39.58
C

ATOM
5016
CD2
LEU
C
276
16.464
3.698
50.959
1.00
37.39
C

ATOM
5017
C
LEU
C
276
12.367
3.564
52.200
1.00
34.23
C

ATOM
5018
O
LEU
C
276
12.411
4.794
52.240
1.00
36.85
O

ATOM
5019
N
LEU
C
277
12.007
2.818
53.241
1.00
34.57
N

ATOM
5020
CA
LEU
C
277
11.730
3.400
54.550
1.00
35.87
C

ATOM
5021
CB
LEU
C
277
10.607
2.668
55.298
1.00
35.81
C

ATOM
5022
CG
LEU
C
277
9.308
2.702
54.497
1.00
41.46
C

ATOM
5023
CD1
LEU
C
277
8.284
2.039
55.297
1.00
48.51
C

ATOM
5024
CD2
LEU
C
277
8.926
4.133
54.213
1.00
40.03
C

ATOM
5025
C
LEU
C
277
12.993
3.318
55.337
1.00
37.44
C

ATOM
5026
O
LEU
C
277
13.550
2.224
55.433
1.00
42.07
O

ATOM
5027
N
ILE
C
278
13.467
4.460
55.846
1.00
35.51
N

ATOM
5028
CA
ILE
C
278
14.553
4.490
56.865
1.00
37.42
C

ATOM
5029
CB
ILE
C
278
15.774
5.266
56.435
1.00
39.21
C

ATOM
5030
CG1
ILE
C
278
16.222
4.776
55.061
1.00
36.81
C

ATOM
5031
CD1
ILE
C
278
16.871
5.801
54.175
1.00
42.78
C

ATOM
5032
CG2
ILE
C
278
16.904
5.145
57.544
1.00
38.30
C

ATOM
5033
C
ILE
C
278
13.952
5.094
58.082
1.00
38.06
C

ATOM
5034
O
ILE
C
278
13.470
6.283
58.064
1.00
39.48
O

ATOM
5035
N
TYR
C
279
13.878
4.309
59.139
1.00
37.10
N

ATOM
5036
CA
TYR
C
279
13.215
4.799
60.318
1.00
38.94
C

ATOM
5037
CB
TYR
C
279
11.732
4.390
60.324
1.00
38.60
C

ATOM
5038
CG
TYR
C
279
11.492
2.903
60.294
1.00
40.71
C

ATOM
5039
CD1
TYR
C
279
11.620
2.158
59.087
1.00
38.72
C

ATOM
5040
CE1
TYR
C
279
11.390
0.774
59.064
1.00
31.42
C

ATOM
5041
CZ
TYR
C
279
11.023
0.142
60.259
1.00
33.46
C

ATOM
5042
OH
TYR
C
279
10.787
−1.215
60.334
1.00
47.42
O

ATOM
5043
CE2
TYR
C
279
10.892
0.860
61.445
1.00
37.14
C

ATOM
5044
CD2
TYR
C
279
11.124
2.234
61.449
1.00
40.75
C

ATOM
5045
O
TYR
C
279
13.884
4.398
61.640
1.00
38.25
O

ATOM
5046
O
TYR
C
279
14.777
3.524
61.899
1.00
36.89
O

ATOM
5047
N
VAL
C
280
13.451
5.071
62.697
1.00
36.12
N

ATOM
5048
CA
VAL
C
280
13.969
4.735
64.039
1.00
37.19
C

ATOM
5049
CB
VAL
C
280
14.774
5.897
34.647
1.00
37.92
C

ATOM
5050
CG1
VAL
C
280
15.239
5.543
66.048
1.00
34.25
C

ATOM
5051
CG2
VAL
C
280
15.972
6.215
63.794
1.00
35.19
C

ATOM
5052
C
VAL
C
280
12.774
4.336
64.895
1.00
37.90
C

ATOM
5053
O
VAL
C
280
11.820
5.104
65.035
1.00
35.23
O

ATOM
5054
N
SER
C
281
12.817
3.123
65.425
1.00
41.33
N

ATOM
5055
CA
SER
C
281
11.828
2.695
66.407
1.00
42.63
C

ATOM
5056
CB
SER
C
281
11.783
1.164
66.473
1.00
46.34
C

ATOM
5057
OG
SER
C
281
11.463
0.649
65.200
1.00
52.19
O

ATOM
5058
C
SER
C
281
12.162
3.261
67.791
1.00
41.25
C

ATOM
5059
O
SER
C
281
13.245
3.007
68.319
1.00
39.31
O

ATOM
5060
N
VAL
C
282
11.218
4.002
68.368
1.00
40.25
N

ATOM
5061
CA
VAL
C
282
11.357
4.626
69.675
1.00
39.33
C

ATOM
5062
CB
VAL
C
282
11.057
6.159
69.587
1.00
40.63
C

ATOM
5063
CG1
VAL
C
282
11.233
6.841
70.946
1.00
37.79
C

ATOM
5064
CG2
VAL
C
282
11.928
6.822
68.550
1.00
41.31
C

ATOM
5065
C
VAL
C
282
10.324
3.951
70.583
1.00
41.88
C

ATOM
5066
O
VAL
C
282
9.139
4.210
70.423
1.00
44.25
O

ATOM
5067
N
PRO
C
283
10.757
3.065
71.517
1.00
45.03
N

ATOM
5068
CA
PRO
C
283
9.845
2.338
72.433
1.00
45.32
C

ATOM
5069
CB
PRO
C
283
10.796
1.587
73.362
1.00
47.86
C

ATOM
5070
CG
PRO
C
283
11.999
1.370
72.528
1.00
47.27
C

ATOM
5071
CD
PRO
C
283
12.153
2.850
71.729
1.00
44.19
C

ATOM
5072
C
PRO
C
283
8.907
3.229
73.229
1.00
47.69
C

ATOM
5073
O
PRO
C
283
9.334
4.203
73.835
1.00
47.64
O

ATOM
5074
N
GLY
C
284
7.611
2.907
73.179
1.00
52.28
N

ATOM
5075
CA
GLY
C
284
6.568
3.736
73.792
1.00
53.26
C

ATOM
5076
C
GLY
C
284
6.329
5.076
73.114
1.00
54.93
C

ATOM
5077
O
GLY
C
284
5.735
5.975
73.692
1.00
57.13
O

ATOM
5078
N
SER
C
285
6.778
5.220
71.874
1.00
55.71
N

ATOM
5079
CA
SER
C
285
6.520
6.437
71.123
1.00
54.73
C

ATOM
5080
CB
SER
C
285
7.646
7.447
71.358
1.00
54.98
C

ATOM
5081
OG
SER
C
285
7.347
8.708
70.800
1.00
61.65
O

ATOM
5082
C
SER
C
285
6.345
6.103
69.641
1.00
52.47
C

ATOM
5083
O
SER
C
285
6.555
4.962
69.224
1.00
52.14
O

ATOM
5084
N
LYS
C
286
5.944
7.084
68.844
1.00
51.58
N

ATOM
5085
CA
LYS
C
286
5.799
6.843
67.407
1.00
51.97
C

ATOM
5086
CB
LYS
C
286
4.964
7.932
66.735
1.00
50.90
O

ATOM
5087
CG
LYS
C
286
3.476
7.889
67.132
1.00
54.13
C

ATOM
5088
CD
LYS
C
286
2.577
8.715
66.189
1.00
60.67
C

ATOM
5089
CE
LYS
C
286
2.954
10.202
66.168
1.00
67.48
C

ATOM
5090
NZ
LYS
C
286
1.919
11.045
65.495
1.00
66.53
N

ATOM
5091
C
LYS
C
286
7.171
6.719
66.758
1.00
50.50
C

ATOM
5092
O
LYS
C
286
8.157
7.225
67.201
1.00
52.08
O

ATOM
5093
N
LYS
C
287
7.231
6.039
65.615
1.00
47.43
N

ATOM
5094
CA
LYS
C
287
8.448
5.937
64.826
1.00
43.48
C

ATOM
5095
CB
LYS
C
287
8.243
4.956
63.675
1.00
42.83
C

ATOM
5096
CG
LYS
C
287
8.052
3.492
64.127
1.00
38.08
C

ATOM
5097
CD
LYS
C
287
7.782
2.607
62.903
1.00
41.26
C

ATOM
5098
CE
LYS
C
287
7.573
1.177
63.350
1.00
49.40
C

ATOM
5099
NZ
LYS
C
287
6.339
1.032
64.205
1.00
56.77
N

ATOM
5100
C
LYS
C
287
8.834
7.288
64.276
1.00
43.46
C

ATOM
5101
O
LYS
C
287
7.983
8.128
64.030
1.00
42.62
O

ATOM
5102
N
VAL
C
288
10.123
7.506
64.086
1.00
43.68
N

ATOM
5103
CA
VAL
C
288
10.557
8.586
63.229
1.00
41.18
C

ATOM
5104
CB
VAL
C
288
11.519
9.623
63.886
1.00
41.73
C

ATOM
5105
CG1
VAL
C
288
12.023
9.161
65.253
1.00
40.65
C

ATOM
5106
CG2
VAL
C
288
12.616
10.068
62.961
1.00
43.65
C

ATOM
5107
C
VAL
C
288
10.981
8.005
61.883
1.00
40.95
C

ATOM
5108
O
VAL
C
288
11.874
7.158
61.800
1.00
37.66
O

ATOM
5109
N
ILE
C
289
10.265
8.438
60.850
1.00
39.34
N

ATOM
5110
CA
ILE
C
289
10.266
7.723
59.557
1.00
38.85
C

ATOM
5111
CB
ILE
C
289
8.868
7.183
59.225
1.00
42.67
C

ATOM
5112
CG1
ILE
C
289
8.361
6.256
60.299
1.00
42.73
C

ATOM
5113
CD1
ILE
C
289
6.857
6.003
60.175
1.00
41.29
C

ATOM
5114
CG2
ILE
C
289
8.853
6.420
57.851
1.00
38.45
C

ATOM
5115
C
ILE
C
289
10.690
8.615
58.417
1.00
40.98
C

ATOM
5116
O
ILE
C
289
10.140
9.711
58.259
1.00
42.86
O

ATOM
5117
N
LEU
C
290
11.644
8.147
57.614
1.00
40.65
N

ATOM
5118
CA
LEU
C
290
11.945
8.750
56.303
1.00
40.95
C

ATOM
5119
CB
LEU
C
290
13.445
8.939
56.082
1.00
42.61
C

ATOM
5120
CG
LEU
C
290
14.243
9.700
57.158
1.00
44.58
C

ATOM
5121
CD1
LEU
C
290
15.665
9.707
56.787
1.00
33.77
C

ATOM
5122
CD2
LEU
C
290
13.701
11.119
57.222
1.00
33.64
C

ATOM
5123
C
LEU
C
290
11.430
7.807
55.231
1.00
43.14
C

ATOM
5124
O
LEU
C
290
11.650
6.619
55.808
1.00
45.00
O

ATOM
5125
N
ASP
C
291
10.750
8.366
54.241
1.00
42.57
N

ATOM
5126
CA
ASP
C
291
10.259
7.632
53.076
1.00
43.06
C

ATOM
5127
CB
ASP
C
291
8.739
7.808
53.021
1.00
46.60
C

ATOM
5128
CG
ASP
C
291
8.073
6.992
51.918
1.00
49.32
C

ATOM
5129
OD1
ASP
C
291
8.718
6.628
50.914
1.00
48.00
O

ATOM
5130
OD2
ASP
C
291
6.887
6.727
52.072
1.00
50.61
O

ATOM
5131
C
ASP
C
291
10.902
8.237
51.822
1.00
42.10
C

ATOM
5132
O
ASP
C
291
10.602
9.370
51.440
1.00
38.78
O

ATOM
5133
N
LEU
C
292
11.798
7.477
51.197
1.00
40.80
N

ATOM
5134
CA
LEU
C
292
12.411
7.884
49.961
1.00
41.59
C

ATOM
5135
CB
LEU
C
292
13.914
7.591
49.996
1.00
39.23
C

ATOM
5136
CG
LEU
C
292
14.719
8.031
51.232
1.00
44.76
C

ATOM
5137
CD1
LEU
C
292
16.174
7.842
50.941
1.00
42.21
C

ATOM
5138
CD2
LEU
C
292
14.396
9.488
51.485
1.00
49.46
C

ATOM
5139
C
LEU
C
292
11.798
7.087
48.805
1.00
43.71
C

ATOM
5140
O
LEU
C
292
11.953
5.880
48.771
1.00
41.15
O

ATOM
5141
N
PRO
C
293
11.102
7.752
47.876
1.00
44.74
N

ATOM
5142
CA
PRO
C
293
10.557
7.080
46.699
1.00
45.01
C

ATOM
5143
CB
PRO
C
293
9.877
8.213
45.940
1.00
48.38
C

ATOM
5144
CG
PRO
C
293
9.535
9.206
47.027
1.00
50.74
C

ATOM
5145
CD
PRO
C
293
10.781
9.187
47.849
1.00
47.40
C

ATOM
5146
C
PRO
C
293
11.636
6.504
45.815
1.00
41.60
C

ATOM
5147
O
PRO
C
293
12.698
7.109
45.640
1.00
46.40
O

ATOM
5148
N
LEU
C
294
11.356
5.317
45.288
1.00
36.70
N

ATOM
5149
CA
LEU
C
294
12.250
4.590
44.441
1.00
35.95
C

ATOM
5150
CB
LEU
C
294
12.649
3.288
45.123
1.00
34.62
C

ATOM
5151
CG
LEU
C
294
13.431
3.305
46.450
1.00
42.19
C

ATOM
5152
CD1
LEU
C
294
13.601
1.893
46.854
1.00
39.10
C

ATOM
5153
CD2
LEU
C
294
14.800
4.017
46.382
1.00
38.21
C

ATOM
5154
C
LEU
C
294
11.591
4.254
48.088
1.00
37.90
C

ATOM
5155
C
LEU
C
294
10.363
4.243
42.957
1.00
38.01
O

ATOM
5156
N
VAL
C
295
12.430
3.944
42.107
1.00
39.44
N

ATOM
5157
CA
VAL
C
295
11.972
3.385
40.848
1.00
38.24
C

ATOM
5158
CB
VAL
C
295
12.397
4.288
39.667
1.00
39.21
C

ATOM
5159
CG1
VAL
C
295
12.273
3.558
38.325
1.00
37.25
C

ATOM
5160
CG2
VAL
C
295
11.567
5.538
39.659
1.00
39.57
C

ATOM
5161
C
VAL
C
295
12.655
2.034
40.811
1.00
36.03
C

ATOM
5162
O
VAL
C
295
13.857
1.933
41.065
1.00
38.28
O

ATOM
5163
N
ILE
C
296
11.915
0.955
40.583
1.00
35.39
N

ATOM
5164
CA
ILE
C
296
12.602
−0.349
40.536
1.00
36.00
C

ATOM
5165
CB
ILE
C
296
12.280
−1.206
41.791
1.00
38.78
C

ATOM
5166
CG1
ILE
C
296
13.035
−0.602
42.995
1.00
41.33
C

ATOM
5167
CD1
ILE
C
296
12.778
−1.276
44.300
1.00
56.82
C

ATOM
5168
CG2
ILE
C
296
12.700
−2.662
41.625
1.00
35.52
C

ATOM
5169
C
ILE
C
296
12.259
−0.994
39.218
1.00
36.51
C

ATOM
5170
O
ILE
C
296
11.120
−1.117
38.913
1.00
33.85
O

ATOM
5171
N
GLY
C
297
13.272
−1.369
38.440
1.00
38.51
N

ATOM
5172
CA
GLY
C
297
13.069
−1.910
37.121
1.00
40.48
C

ATOM
5173
C
GLY
C
297
13.609
−3.310
37.006
1.00
43.56
C

ATOM
5174
O
GLY
C
297
14.509
−3.684
37.745
1.00
41.93
O

ATOM
5175
N
SER
C
298
13.028
−4.100
36.103
1.00
44.76
N

ATOM
5176
CA
SER
C
298
13.570
−5.428
35.822
1.00
47.24
C

ATOM
5177
CB
SER
C
298
12.423
−6.364
35.455
1.00
48.75
C

ATOM
5178
CG
SER
C
298
11.871
−5.921
34.243
1.00
48.43
O

ATOM
5179
C
SER
C
298
14.620
−5.361
34.683
1.00
47.97
C

ATOM
5180
O
SER
C
298
14.636
−4.398
33.895
1.00
45.55
O

ATOM
5181
N
ARG
C
299
15.473
−6.390
34.609
1.00
49.56
N

ATOM
5182
CA
ARG
C
299
16.579
−6.480
33.658
1.00
51.87
C

ATOM
5183
CB
ARG
C
299
17.723
−7.284
34.278
1.00
55.02
C

ATOM
5184
CG
ARG
C
299
17.918
−7.027
35.771
1.00
56.10
O

ATOM
5185
CD
ARG
C
299
19.302
−7.419
36.264
1.00
72.04
O

ATOM
5186
NE
ARG
C
299
20.222
−6.273
36.319
1.00
74.07
N

ATOM
5187
CZ
ARG
C
299
20.849
−5.846
37.416
1.00
71.18
C

ATOM
5188
NH1
ARG
C
299
20.676
−6.469
38.580
1.00
58.63
N

ATOM
5189
NH2
ARG
C
299
21.676
−4.800
37.347
1.00
69.87
N

ATOM
5190
C
ARG
C
299
16.155
−7.135
32.351
1.00
54.78
C

ATOM
5191
O
ARG
C
299
15.232
−6.663
31.375
1.00
57.45
O

TER
5194

ARG
C
299

ATOM
5192
N
MET
D
1
44.907
19.389
78.423
1.00
51.78
N

ATOM
5193
CA
MET
D
1
44.688
19.473
76.955
1.00
49.37
C

ATOM
5194
CB
MET
D
1
45.924
20.021
76.265
1.00
48.94
C

ATOM
5195
CG
MET
D
1
46.275
21.434
76.676
1.00
58.21
C

ATOM
5196
SD
MET
D
1
44.876
22.584
76.595
1.00
60.23
S

ATOM
5197
CE
MET
D
1
44.512
22.503
74.838
1.00
52.19
C

ATOM
5198
C
MET
D
1
44.406
18.112
76.384
1.00
48.95
C

ATOM
5199
O
MET
D
1
44.830
17.112
76.943
1.00
50.02
O

ATOM
5200
N
VAL
D
2
43.738
18.103
75.237
1.00
49.94
N

ATOM
5201
CA
VAL
D
2
43.389
16.885
74.492
1.00
48.31
C

ATOM
5202
CB
VAL
D
2
41.882
16.843
74.268
1.00
48.82
C

ATOM
5203
CG1
VAL
D
2
41.498
15.717
73.306
1.00
40.17
C

ATOM
5204
CG2
VAL
D
2
41.168
16.683
75.614
1.00
43.10
C

ATOM
5205
C
VAL
D
2
44.093
16.868
73.122
1.00
49.55
C

ATOM
5206
O
VAL
D
2
43.974
17.832
72.362
1.00
45.15
O

ATOM
5207
N
LYS
D
3
44.831
15.794
72.809
1.00
47.32
N

ATOM
5208
CA
LYS
D
3
45.503
15.716
71.510
1.00
47.30
C

ATOM
5209
CB
LYS
D
3
46.802
14.919
71.624
1.00
50.16
C

ATOM
5210
CG
LYS
D
3
47.522
14.686
70.293
1.00
52.67
C

ATOM
5211
CD
LYS
D
3
48.531
13.550
70.407
1.00
52.71
C

ATOM
5212
CE
LYS
D
3
49.745
13.798
69.531
1.00
51.20
C

ATOM
5213
NZ
LYS
D
3
49.440
14.649
68.360
1.00
50.45
N

ATOM
5214
C
LYS
D
3
44.622
15.073
70.445
1.00
47.37
C

ATOM
5215
O
LYS
D
3
44.067
14.010
70.573
1.00
47.35
O

ATOM
5216
N
GLN
D
4
44.522
15.721
69.285
1.00
47.62
N

ATOM
5217
CA
GLN
D
4
43.809
15.198
68.136
1.00
49.63
C

ATOM
5218
CD
GLN
D
4
43.381
16.332
67.213
1.00
48.70
C

ATOM
5219
CG
GLN
D
4
42.354
15.862
66.172
1.00
55.81
C

ATOM
5220
CD
GLN
D
4
40.922
15.879
66.710
1.00
61.65
C

ATOM
5221
OE1
GLN
D
4
40.550
16.787
67.449
1.00
61.90
O

ATOM
5222
NE2
GLN
D
4
40.117
14.885
66.328
1.00
51.21
N

ATOM
5223
C
GLN
D
4
44.626
14.216
67.316
1.00
49.25
C

ATOM
5224
O
GLN
D
4
45.685
14.565
66.823
1.00
49.73
O

ATOM
5225
N
ILE
D
5
44.098
13.007
67.144
1.00
49.95
N

ATOM
5226
CA
ILE
D
5
44.735
11.978
66.337
1.00
50.73
C

ATOM
5227
CB
ILE
D
5
44.537
10.601
66.966
1.00
50.89
C

ATOM
5228
CG1
ILE
D
5
45.129
10.568
68.388
1.00
41.77
C

ATOM
5229
CD1
ILE
D
5
46.634
10.904
68.495
1.00
43.61
C

ATOM
5230
CG2
ILE
D
5
45.110
9.533
66.058
1.00
48.14
C

ATOM
5231
C
ILE
D
5
44.178
11.959
64.910
1.00
53.14
C

ATOM
5232
O
ILE
D
5
43.011
11.652
64.703
1.00
50.20
O

ATOM
5233
N
GLU
D
6
45.035
12.273
63.935
1.00
54.75
N

ATOM
5234
CA
GLU
D
6
44.607
12.464
62.543
1.00
55.57
C

ATOM
5235
CB
GLU
D
6
45.295
13.684
61.912
1.00
55.36
C

ATOM
5236
CG
GLU
D
6
44.964
15.043
62.551
1.00
59.50
C

ATOM
5237
CD
GLU
D
6
43.509
15.512
62.339
1.00
69.55
C

ATOM
5238
OE1
GLU
D
6
42.654
14.744
61.834
1.00
64.65
O

ATOM
5239
OE2
GLU
D
6
43.217
16.673
62.697
1.00
69.71
O

ATOM
5240
C
GLU
D
6
44.855
11.227
61.698
1.00
55.94
C

ATOM
5241
O
GLU
D
6
44.439
11.165
60.535
1.00
57.73
O

ATOM
5242
N
SER
D
7
45.486
10.226
62.309
1.00
54.64
N

ATOM
5243
CA
SER
D
7
45.985
9.082
61.579
1.00
53.64
C

ATOM
5244
CB
SER
D
7
47.339
9.468
60.985
1.00
54.56
C

ATOM
5245
OG
SER
D
7
48.278
8.431
61.113
1.00
54.50
O

ATOM
5246
C
SER
D
7
46.118
7.815
62.427
1.00
54.71
C

ATOM
5247
O
SER
D
7
46.073
7.863
63.650
1.00
56.16
O

ATOM
5248
N
LYS
D
8
46.311
6.683
61.762
1.00
54.34
N

ATOM
5249
CA
LYS
D
8
46.538
5.407
62.440
1.00
55.71
C

ATOM
5250
CB
LYS
D
8
46.155
4.268
61.502
1.00
55.55
C

ATOM
5251
CG
LYS
D
8
45.706
3.009
62.211
1.00
59.79
C

ATOM
5252
CD
LYS
D
8
44.953
2.085
61.258
1.00
49.93
C

ATOM
5253
CE
LYS
D
8
45.913
1.233
60.458
1.00
57.96
C

ATOM
5254
NZ
LYS
D
8
46.658
0.265
61.325
1.00
62.12
N

ATOM
5255
C
LYS
D
8
48.004
5.221
62.891
1.00
55.46
C

ATOM
5256
O
LYS
D
8
48.305
4.416
63.783
1.00
52.52
O

ATOM
5257
N
THR
D
9
48.894
5.945
62.217
1.00
55.16
N

ATOM
5258
CA
THR
D
9
50.304
6.002
62.540
1.00
55.07
C

ATOM
5259
CB
THR
D
9
51.124
6.489
61.311
1.00
55.22
C

ATOM
5260
OG1
THR
D
9
51.142
5.455
60.319
1.00
51.42
O

ATOM
5261
CG2
THR
D
9
52.576
6.858
61.690
1.00
56.15
C

ATOM
5262
C
THR
D
9
50.494
6.909
63.760
1.00
56.17
C

ATOM
5263
O
THR
D
9
51.276
6.586
64.655
1.00
57.37
O

ATOM
5264
N
ALA
D
10
49.758
8.025
63.801
1.00
54.53
N

ATOM
5265
CA
ALA
D
10
49.812
8.957
64.923
1.00
51.49
C

ATOM
5266
CB
ALA
D
10
49.151
10.275
64.571
1.00
52.83
C

ATOM
5267
C
ALA
D
10
49.151
8.331
66.130
1.00
49.60
C

ATOM
5268
O
ALA
D
10
49.541
8.577
67.263
1.00
47.72
O

ATOM
5269
N
PHE
D
11
48.154
7.497
65.882
1.00
49.19
N

ATOM
5270
CA
PHE
D
11
47.542
6.765
60.962
1.00
47.89
C

ATOM
5271
CB
PHE
D
11
46.329
5.977
66.497
1.00
48.18
C

ATOM
5272
CG
PHE
D
11
45.454
5.539
67.619
1.00
45.97
C

ATOM
5273
CD1
PHE
D
11
44.935
6.469
68.507
1.00
49.11
C

ATOM
5274
CE1
PHE
D
11
44.132
6.065
69.559
1.00
56.20
C

ATOM
5275
CZ
PHE
D
11
43.843
4.716
69.738
1.00
52.89
C

ATOM
5276
CE2
PHE
D
11
44.365
3.786
68.871
1.00
50.74
C

ATOM
5277
CD2
PHE
D
11
45.172
4.198
67.815
1.00
51.98
C

ATOM
5278
C
PHE
D
11
48.547
5.847
67.623
1.00
48.39
C

ATOM
5279
O
PHE
D
11
48.707
5.895
68.833
1.00
49.55
O

ATOM
5280
N
GLN
D
12
49.225
5.022
66.828
1.00
48.61
N

ATOM
5281
CA
GLN
D
12
50.258
4.104
67.340
1.00
47.24
C

ATOM
5282
CB
GLN
D
12
50.904
3.354
66.174
1.00
47.25
C

ATOM
5283
CG
GLN
D
12
51.490
1.989
66.525
1.00
51.90
C

ATOM
5284
CD
GLN
D
12
50.547
1.128
67.353
1.00
57.68
C

ATOM
5285
OE1
GLN
D
12
50.406
1.324
68.563
1.00
55.77
O

ATOM
5286
NE2
GLN
D
12
49.910
0.155
66.704
1.00
58.15
N

ATOM
5287
C
GLN
D
12
51.324
4.837
68.155
1.00
47.96
C

ATOM
5288
O
GLN
D
12
51.630
4.472
69.300
1.00
49.88
O

ATOM
5289
N
GLU
D
13
51.882
5.874
67.540
1.00
47.03
N

ATOM
5290
CA
GLU
D
13
52.856
6.757
68.154
1.00
47.70
C

ATOM
5291
CB
GLU
D
13
53.221
7.866
67.157
1.00
47.65
C

ATOM
5292
CG
GLU
D
13
54.359
8.798
67.600
1.00
55.47
C

ATOM
5293
CD
GLU
D
13
55.642
8.082
68.006
1.00
58.56
C

ATOM
5294
OE1
GLU
D
13
56.411
8.636
68.808
1.00
59.53
O

ATOM
5295
OE2
GLU
D
13
55.881
6.923
67.534
1.00
59.58
O

ATOM
5296
C
GLU
D
13
52.422
7.358
69.498
1.00
48.93
C

ATOM
5297
O
GLU
D
13
53.254
7.637
70.340
1.00
50.29
O

ATOM
5298
N
ALA
D
14
51.127
7.560
69.702
1.00
49.22
N

ATOM
5299
CA
ALA
D
14
50.644
8.134
70.955
1.00
49.85
C

ATOM
5300
CD
ALA
D
14
49.280
8.702
70.753
1.00
48.21
C

ATOM
5301
C
ALA
D
14
50.595
7.105
72.080
1.00
49.74
C

ATOM
5302
O
ALA
D
14
50.931
7.414
73.222
1.00
51.59
O

ATOM
5303
N
LEU
D
15
50.175
5.884
71.746
1.00
49.82
N

ATOM
5304
CA
LEU
D
15
50.026
4.786
72.712
1.00
51.00
C

ATOM
5305
CB
LEU
D
15
49.355
3.579
72.042
1.00
49.44
C

ATOM
5306
CG
LEU
D
15
47.841
3.322
72.072
1.00
53.90
C

ATOM
5307
CD1
LEU
D
15
46.999
4.562
72.418
1.00
48.37
C

ATOM
5308
CD2
LEU
D
15
47.443
2.736
70.737
1.00
40.25
C

ATOM
5309
C
LEU
D
15
51.365
4.333
73.273
1.00
52.27
C

ATOM
5310
O
LEU
D
15
51.456
3.930
74.433
1.00
52.62
O

ATOM
5311
N
ASP
D
16
52.385
4.377
72.418
1.00
52.37
N

ATOM
5312
CA
ASP
D
16
53.723
3.926
72.759
1.00
52.32
C

ATOM
5313
CB
ASP
D
16
54.464
3.412
71.510
1.00
51.30
C

ATOM
5314
CG
ASP
D
16
53.733
2.243
70.811
1.00
53.32
C

ATOM
5315
OD1
ASP
D
16
52.846
1.559
71.440
1.00
51.77
O

ATOM
5316
OD2
ASP
D
16
54.062
2.013
69.613
1.00
46.51
O

ATOM
5317
C
ASP
D
16
54.529
5.037
73.441
1.00
53.27
C

ATOM
5318
O
ASP
D
16
55.318
4.756
74.330
1.00
53.75
O

ATOM
5319
N
ALA
D
17
54.335
6.288
73.024
1.00
53.52
N

ATOM
5320
CA
ALA
D
17
54.988
7.426
73.678
1.00
52.90
C

ATOM
5321
CB
ALA
D
17
54.765
8.726
72.906
1.00
53.07
C

ATOM
5322
C
ALA
D
17
54.490
7.570
75.101
1.00
53.36
C

ATOM
5323
O
ALA
D
17
55.210
8.064
75.960
1.00
53.20
O

ATOM
5324
N
ALA
D
18
53.247
7.169
75.347
1.00
53.82
N

ATOM
5325
CA
ALA
D
18
52.758
7.051
76.712
1.00
53.57
C

ATOM
5326
CB
ALA
D
18
51.248
6.862
76.736
1.00
58.86
C

ATOM
5327
C
ALA
D
18
53.474
5.845
77.307
1.00
53.21
C

ATOM
5328
O
ALA
D
18
53.781
4.880
76.603
1.00
55.09
O

ATOM
5329
N
GLY
D
19
53.769
5.900
78.592
1.00
53.15
N

ATOM
5330
CA
GLY
D
19
54.570
4.838
79.209
1.00
51.52
C

ATOM
5331
C
GLY
D
19
53.613
3.783
79.712
1.00
51.88
C

ATOM
5332
O
GLY
D
19
52.995
3.037
78.912
1.00
50.08
O

ATOM
5333
N
ASP
D
20
53.489
3.746
81.047
1.00
51.45
N

ATOM
5334
CA
ASP
D
20
52.466
2.938
81.714
1.00
51.91
C

ATOM
5335
CB
ASP
D
20
53.098
2.204
82.907
1.00
53.09
C

ATOM
5336
CG
ASP
D
20
54.097
3.082
83.659
1.00
57.21
C

ATOM
5337
OD1
ASP
D
20
54.849
2.537
84.508
1.00
67.20
O

ATOM
5338
OD2
ASP
D
20
54.143
4.311
83.399
1.00
60.45
O

ATOM
5339
C
ASP
D
20
51.314
3.834
82.188
1.00
50.66
C

ATOM
5340
O
ASP
D
20
50.527
3.443
83.143
1.00
51.50
O

ATOM
5341
N
LYS
D
21
51.233
5.058
81.512
1.00
48.88
N

ATOM
5342
CA
LYS
D
21
50.176
5.987
81.904
1.00
48.96
C

ATOM
5343
CB
LYS
D
21
50.539
7.442
81.516
1.00
49.43
C

ATOM
5344
CG
LYS
D
21
51.746
7.513
80.538
1.00
48.53
C

ATOM
5345
CD
LYS
D
21
53.006
8.064
81.259
1.00
54.17
C

ATOM
5346
CE
LYS
D
21
52.952
9.610
81.362
1.00
49.22
C

ATOM
5347
NZ
LYS
D
21
52.869
10.296
79.970
1.00
51.62
N

ATOM
5348
C
LYS
D
21
48.848
5.592
81.240
1.00
48.67
O

ATOM
5349
O
LYS
D
21
48.822
5.023
80.132
1.00
47.56
O

ATOM
5350
N
LEU
D
22
47.764
5.871
81.958
1.00
48.21
N

ATOM
5351
CA
LEU
D
22
46.419
5.792
81.418
1.00
48.62
C

ATOM
5352
CB
LEU
D
22
45.381
6.140
82.498
1.00
48.77
C

ATOM
5353
CG
LEU
D
22
43.899
5.903
82.138
1.00
51.92
C

ATOM
5354
CD1
LEU
D
22
43.606
4.401
82.010
1.00
46.50
C

ATOM
5355
CD2
LEU
D
22
42.963
6.539
83.172
1.00
44.99
C

ATOM
5356
C
LEU
D
22
46.271
6.717
80.197
1.00
47.43
C

ATOM
5357
O
LEU
D
22
46.726
7.866
80.190
1.00
44.03
O

ATOM
5358
N
VAL
D
23
45.656
6.177
79.146
1.00
49.03
N

ATOM
5359
CA
VAL
D
23
45.358
6.925
77.923
1.00
47.78
C

ATOM
5360
CB
VAL
D
23
46.141
6.344
76.704
1.00
48.40
C

ATOM
5361
CG1
VAL
D
23
45.805
7.089
75.402
1.00
43.30
C

ATOM
5362
CG2
VAL
D
23
47.637
6.339
76.968
1.00
51.95
C

ATOM
5363
C
VAL
D
23
43.867
6.713
77.728
1.00
48.23
C

ATOM
5364
O
VAL
D
23
43.404
5.566
77.708
1.00
45.05
O

ATOM
5365
N
VAL
D
24
43.114
7.809
77.564
1.00
48.82
N

ATOM
5366
CA
VAL
D
24
41.691
7.742
77.366
1.00
47.45
C

ATOM
5367
CB
VAL
D
24
40.829
8.338
78.501
1.00
48.55
C

ATOM
5368
CG1
VAL
D
24
41.182
9.758
78.733
1.00
51.52
C

ATOM
5369
CG2
VAL
D
24
39.325
8.216
78.178
1.00
45.20
C

ATOM
5370
C
VAL
D
24
41.435
8.403
76.000
1.00
48.54
O

ATOM
5371
O
VAL
D
24
41.982
9.484
75.707
1.00
43.75
O

ATOM
5372
N
VAL
D
25
40.653
7.729
75.150
1.00
45.38
N

ATOM
5373
CA
VAL
D
25
40.380
8.260
73.814
1.00
45.33
C

ATOM
5374
CB
VAL
D
25
40.796
7.260
72.703
1.00
44.41
C

ATOM
5375
CG1
VAL
D
25
40.580
7.885
71.320
1.00
45.35
C

ATOM
5376
CG2
VAL
D
25
42.245
6.844
72.858
1.00
45.67
C

ATOM
5377
C
VAL
D
25
38.914
8.617
73.680
1.00
45.72
C

ATOM
5378
O
VAL
D
25
38.062
7.783
73.916
1.00
48.31
O

ATOM
5379
N
ASP
D
26
38.625
9.859
73.297
1.00
48.51
N

ATOM
5380
CA
ASP
D
26
37.278
10.267
72.932
1.00
43.05
C

ATOM
5381
CB
ASP
D
26
37.105
11.758
73.195
1.00
46.80
C

ATOM
5382
CG
ASP
D
26
35.746
12.252
72.917
1.00
45.29
C

ATOM
5383
OD1
ASP
D
26
34.904
11.416
72.495
1.00
47.77
O

ATOM
5384
OD2
ASP
D
26
35.527
13.493
73.053
1.00
47.16
O

ATOM
5385
C
ASP
D
26
37.085
9.958
71.453
1.00
44.97
C

ATOM
5386
O
ASP
D
26
37.643
10.653
70.597
1.00
41.74
O

ATOM
5387
N
PHE
D
27
36.346
8.876
71.149
1.00
42.52
N

ATOM
5388
CA
PHE
D
27
35.900
8.609
69.760
1.00
47.15
C

ATOM
5389
CB
PHE
D
27
35.683
7.121
69.492
1.00
45.67
C

ATOM
5390
CG
PHE
D
27
36.957
6.314
69.435
1.00
48.38
C

ATOM
5391
CD1
PHE
D
27
37.644
6.143
68.220
1.00
41.44
C

ATOM
5392
CE1
PHE
D
27
38.772
5.389
68.136
1.00
43.70
C

ATOM
5393
CZ
PHE
D
27
39.269
4.755
69.277
1.00
52.13
C

ATOM
5394
CE2
PHE
D
27
38.615
4.910
70.501
1.00
48.56
C

ATOM
5395
CD2
PHE
D
27
37.448
5.689
70.566
1.00
51.11
C

ATOM
5396
C
PHE
D
27
34.615
9.371
69.489
1.00
43.23
O

ATOM
5397
O
PHE
D
27
33.529
9.006
69.943
1.00
45.00
O

ATOM
5398
N
SER
D
28
34.772
10.415
68.703
1.00
44.56
N

ATOM
5399
CA
SER
D
28
33.836
11.501
68.540
1.00
44.58
C

ATOM
5400
CB
SER
D
28
34.533
12.753
69.087
1.00
48.08
C

ATOM
5401
CG
SER
D
28
33.629
13.829
69.262
1.00
53.05
O

ATOM
5402
CO
SER
D
28
33.484
11.739
67.037
1.00
44.23
C

ATOM
5403
O
SER
D
28
34.111
11.187
66.116
1.00
44.71
O

ATOM
5404
N
ALA
D
29
32.469
12.569
66.820
1.00
44.58
N

ATOM
5405
CA
ALA
D
29
32.056
13.001
65.507
1.00
47.54
C

ATOM
5406
CB
ALA
D
29
30.860
12.195
65.062
1.00
43.39
C

ATOM
5407
C
ALA
D
29
31.693
14.459
65.648
1.00
47.85
O

ATOM
5408
O
ALA
D
29
31.110
14.852
66.639
1.00
49.41
O

ATOM
5409
N
THR
D
30
32.042
15.253
64.652
1.00
45.91
N

ATOM
5410
CA
THR
D
30
31.779
16.681
64.645
1.00
48.34
C

ATOM
5411
CB
THR
D
30
32.547
17.273
63.430
1.00
50.49
C

ATOM
5412
OG1
THR
D
30
33.932
17.427
63.781
1.00
54.94
O

ATOM
5413
CG2
THR
D
30
32.015
18.540
63.050
1.00
50.33
O

ATOM
5414
C
THR
D
30
30.275
17.100
64.580
1.00
50.32
C

ATOM
5415
O
THR
D
30
29.895
18.176
65.083
1.00
47.25
O

ATOM
5416
N
TRP
D
31
29.450
16.265
63.929
1.00
49.20
N

ATOM
5417
CA
TRP
D
31
28.006
16.485
63.732
1.00
50.26
C

ATOM
5418
CB
TRP
D
31
27.578
15.850
62.397
1.00
47.26
C

ATOM
5419
CG
TRP
D
31
28.002
14.416
62.304
1.00
46.07
C

ATOM
5420
CD1
TRP
D
31
29.129
13.941
61.718
1.00
41.62
C

ATOM
5421
NE1
TRP
D
31
29.187
12.568
61.841
1.00
42.04
N

ATOM
5422
CE2
TRP
D
31
28.071
12.132
62.501
1.00
39.40
C

ATOM
5423
CD2
TRP
D
31
27.293
13.267
62.807
1.00
37.29
C

ATOM
5424
CE3
TRP
D
31
26.069
13.090
63.484
1.00
46.65
C

ATOM
5425
CZ3
TRP
D
31
25.679
11.787
63.855
1.00
37.74
C

ATOM
5426
CH2
TRP
D
31
26.485
10.683
63.533
1.00
33.39
C

ATOM
5427
CZ2
TRP
D
31
27.671
10.830
62.846
1.00
41.82
C

ATOM
5428
C
TRP
D
31
27.112
15.931
64.851
1.00
50.47
C

ATOM
5429
O
TRP
D
31
25.026
16.225
64.001
1.00
49.26
O

ATOM
5430
N
CYS
D
32
27.698
15.156
65.761
1.00
51.33
N

ATOM
5431
CA
CYS
D
32
26.964
14.392
66.795
1.00
50.78
C

ATOM
5432
CB
CYS
D
32
27.777
13.144
67.163
1.00
51.86
C

ATOM
5433
SG
CYS
D
32
27.047
12.161
68.525
1.00
53.52
S

ATOM
5434
C
CYS
D
32
26.692
15.196
68.070
1.00
49.39
C

ATOM
5435
O
CYS
D
32
27.628
15.559
68.798
1.00
49.12
O

ATOM
5436
N
GLY
D
33
25.423
15.436
68.366
1.00
44.53
N

ATOM
5437
CA
GLY
D
33
25.002
16.226
69.525
1.00
43.18
C

ATOM
5438
C
GLY
D
33
25.687
15.791
70.828
1.00
46.15
C

ATOM
5439
O
GLY
D
33
26.449
16.562
71.418
1.00
47.94
O

ATOM
5440
N
PRO
D
34
25.407
14.563
71.299
1.00
45.21
N

ATOM
5441
CA
PRO
D
34
26.050
14.084
72.539
1.00
44.98
C

ATOM
5442
CB
PRO
D
34
25.649
12.610
72.601
1.00
42.70
C

ATOM
5443
CG
PRO
D
34
24.344
12.565
71.882
1.00
41.84
C

ATOM
5444
CD
PRO
D
34
24.457
13.572
70.750
1.00
45.09
C

ATOM
5445
C
PRO
D
34
27.568
14.250
72.540
1.00
46.40
C

ATOM
5446
O
PRO
D
34
28.119
14.649
73.558
1.00
45.29
O

ATOM
5447
N
ALA
D
35
28.223
13.992
71.397
1.00
46.49
N

ATOM
5448
CA
ALA
D
35
29.684
14.116
71.274
1.00
44.50
C

ATOM
5449
CB
ALA
D
35
30.175
13.543
69.939
1.00
41.27
C

ATOM
5450
C
ALA
D
35
30.166
15.562
71.483
1.00
47.17
C

ATOM
5451
O
ALA
D
35
31.074
15.803
72.263
1.00
46.21
O

ATOM
5452
N
LYS
D
36
29.547
16.523
70.809
1.00
42.77
N

ATOM
5453
CA
LYS
D
36
29.842
17.948
71.045
1.00
47.82
C

ATOM
5454
CB
LYS
D
36
28.928
18.868
70.219
1.00
45.80
C

ATOM
5455
CG
LYS
D
36
29.005
18.766
68.728
1.00
53.51
C

ATOM
5456
CD
LYS
D
36
27.812
19.611
68.101
1.00
50.69
C

ATOM
5457
CE
LYS
D
36
27.348
19.016
66.773
1.00
56.79
C

ATOM
5458
NZ
LYS
D
36
26.405
19.886
65.948
1.00
64.71
N

ATOM
5459
C
LYS
D
36
29.605
18.340
72.510
1.00
46.31
C

ATOM
5460
O
LYS
D
36
30.313
19.171
73.054
1.00
49.45
O

ATOM
5461
N
MET
D
37
28.554
17.812
73.117
1.00
46.90
N

ATOM
5462
CA
MET
D
37
28.190
18.221
74.459
1.00
45.95
C

ATOM
5463
CB
MET
D
37
26.855
17.581
74.862
1.00
45.98
C

ATOM
5464
CG
MET
D
37
26.384
17.859
76.312
1.00
44.48
C

ATOM
5465
CD
MET
D
37
27.016
16.731
77.578
1.00
56.23
S

ATOM
5466
CE
MET
D
37
25.816
15.410
77.409
1.00
57.05
C

ATOM
5467
C
MET
D
37
29.314
17.845
75.451
1.00
47.19
C

ATOM
5468
O
MET
D
37
29.654
18.627
76.364
1.00
46.47
O

ATOM
5469
N
ILE
D
38
29.862
16.642
75.299
1.00
45.62
N

ATOM
5470
CA
ILE
D
38
30.790
16.146
76.320
1.00
44.40
C

ATOM
5471
CB
ILE
D
38
30.689
14.609
76.520
1.00
46.04
C

ATOM
5472
CG1
ILE
D
38
31.338
14.214
77.873
1.00
43.45
C

ATOM
5473
CD1
ILE
D
38
30.629
13.066
78.553
1.00
46.20
C

ATOM
5474
CG2
ILE
D
38
31.233
13.834
75.300
1.00
49.82
C

ATOM
5475
C
ILE
D
38
32.218
16.641
76.112
1.00
46.85
C

ATOM
5476
O
ILE
D
38
33.068
16.478
77.001
1.00
46.74
O

ATOM
5477
N
LYS
D
39
32.482
17.257
74.941
1.00
42.87
N

ATOM
5478
CA
LYS
D
39
33.844
17.653
74.563
1.00
43.76
C

ATOM
5479
CB
LYS
D
39
33.856
18.362
73.185
1.00
43.06
C

ATOM
5480
CG
LYS
D
39
34.254
17.506
72.048
1.00
55.75
C

ATOM
5481
CD
LYS
D
39
34.447
18.387
70.802
1.00
54.62
C

ATOM
5482
CE
LYS
D
39
35.879
18.820
70.663
1.00
54.46
C

ATOM
5483
NZ
LYS
D
39
36.124
19.557
69.381
1.00
69.55
N

ATOM
5484
C
LYS
D
39
34.550
18.583
75.541
1.00
44.99
C

ATOM
5485
O
LYS
D
39
35.741
18.363
75.830
1.00
43.77
O

ATOM
5486
N
PRO
D
40
33.872
19.696
75.959
1.00
46.48
N

ATOM
5487
CA
PRO
D
40
34.428
20.647
76.967
1.00
43.02
C

ATOM
5488
CB
PRO
D
40
33.271
21.628
77.216
1.00
42.37
C

ATOM
5489
CG
PRO
D
40
32.404
21.531
76.039
1.00
46.26
C

ATOM
5490
CD
PRO
D
40
32.535
20.125
75.504
1.00
42.96
C

ATOM
5491
C
PRO
D
40
37.719
19.937
78.267
1.00
47.39
C

ATOM
5492
O
PRO
D
40
35.691
20.280
78.988
1.00
46.05
O

ATOM
5493
N
PHE
D
41
33.882
18.956
78.594
1.00
45.83
N

ATOM
5494
CA
PHE
D
41
34.065
18.268
79.871
1.00
45.07
C

ATOM
5495
CB
PHE
D
41
32.819
17.477
80.294
1.00
48.72
C

ATOM
5496
CG
PHE
D
41
31.632
18.342
80.619
1.00
55.21
C

ATOM
5497
CD1
PHE
D
41
31.650
10.101
81.716
1.00
58.16
C

ATOM
5498
CE1
PHE
D
41
30.558
20.004
82.010
1.00
53.76
C

ATOM
5499
CZ
PHE
D
41
29.431
19.975
81.191
1.00
68.19
C

ATOM
5500
CE2
PHE
D
41
29.404
19.136
80.070
1.00
66.14
C

ATOM
5501
CD2
PHE
D
41
30.505
18.334
79.790
1.00
61.88
C

ATOM
5502
C
PHE
D
41
35.247
17.335
79.779
1.00
44.06
C

ATOM
5503
O
PHE
D
41
35.985
17.177
80.738
1.00
43.91
O

ATOM
5504
N
PHE
D
42
35.419
16.688
78.639
1.00
42.08
N

ATOM
5505
CA
PHE
D
42
36.608
15.827
78.422
1.00
43.12
C

ATOM
5506
CB
PHE
D
42
36.460
15.210
77.014
1.00
46.32
C

ATOM
5507
CG
PHE
D
42
37.429
14.119
76.715
1.00
37.47
C

ATOM
5508
CD1
PHE
D
42
37.356
12.897
77.366
1.00
41.83
C

ATOM
5509
CE1
PHE
D
42
38.269
11.894
77.065
1.00
38.69
C

ATOM
5510
CZ
PHE
D
42
39.247
12.099
76.113
1.00
42.03
C

ATOM
5511
CE2
PHE
D
42
39.342
13.317
75.480
1.00
34.01
C

ATOM
5512
CD2
PHE
D
42
38.431
14.315
75.778
1.00
46.46
C

ATOM
5513
C
PHE
D
42
37.859
16.679
78.491
1.00
43.31
C

ATOM
5514
O
PHE
D
42
38.882
16.266
79.012
1.00
42.73
O

ATOM
5515
N
HIS
D
43
37.780
17.910
77.969
1.00
42.42
N

ATOM
5516
CA
HIS
D
43
38.886
18.848
78.095
1.00
40.30
C

ATOM
5517
CB
HIS
D
43
38.667
20.079
77.234
1.00
40.12
C

ATOM
5518
CG
HIS
D
43
39.723
21.110
77.448
1.00
51.79
C

ATOM
5519
ND1
HIS
D
43
40.895
21.126
76.728
1.00
50.68
N

ATOM
5520
CE1
HIS
D
43
41.650
22.111
77.164
1.00
57.00
C

ATOM
5521
NE2
HIS
D
43
41.037
22.714
78.164
1.00
56.39
N

ATOM
5522
CD2
HIS
D
43
39.824
22.105
78.352
1.00
57.44
C

ATOM
5523
C
HIS
D
43
39.205
19.312
79.525
1.00
42.96
C

ATOM
5524
O
HIS
D
43
40.385
19.354
70.050
1.00
30.30
O

ATOM
5525
N
SER
D
44
38.176
19.735
80.240
1.00
41.90
N

ATOM
5526
CA
SER
D
44
38.329
20.128
81.615
1.00
43.75
C

ATOM
5527
CB
SER
D
44
36.951
20.470
82.164
1.00
44.71
C

ATOM
5528
OG
SER
D
44
36.481
21.589
81.454
1.00
46.63
O

ATOM
5529
C
SER
D
44
38.965
19.014
82.418
1.00
45.90
C

ATOM
5530
O
SER
D
44
39.792
19.266
83.302
1.00
49.23
O

ATOM
5531
N
LEU
D
45
38.575
17.772
82.129
1.00
42.89
N

ATOM
5532
CA
LEU
D
45
39.146
16.637
82.861
1.00
41.30
C

ATOM
5533
CB
LEU
D
45
38.365
15.367
82.562
1.00
44.40
C

ATOM
5534
CG
LEU
D
45
37.012
15.039
83.222
1.00
49.55
C

ATOM
5535
CD1
LEU
D
45
36.476
13.788
82.567
1.00
36.67
C

ATOM
5536
CD2
LEU
D
45
37.140
14.815
84.708
1.00
46.27
C

ATOM
5537
C
LEU
D
45
40.615
16.424
82.514
1.00
42.26
C

ATOM
5538
O
LEU
D
45
41.431
16.068
83.384
1.00
43.84
O

ATOM
5539
N
SER
D
46
40.968
16.651
81.254
1.00
42.85
N

ATOM
5540
CA
SER
D
46
42.363
16.543
80.801
1.00
43.29
C

ATOM
5541
CB
SER
D
46
42.451
16.726
79.275
1.00
41.55
C

ATOM
5542
CG
SER
D
46
42.528
18.086
78.928
1.00
41.79
C

ATOM
5543
C
SER
D
46
43.280
17.541
81.502
1.00
42.45
C

ATOM
5544
O
SER
D
46
44.488
17.290
81.657
1.00
42.93
O

ATOM
5545
N
GLU
D
47
42.706
18.674
81.901
1.00
41.68
N

ATOM
5546
CA
GLU
D
47
43.424
19.690
82.697
1.00
44.72
C

ATOM
5547
CB
GLU
D
47
42.770
21.054
82.499
1.00
47.26
C

ATOM
5548
CG
GLU
D
47
43.025
21.679
81.112
1.00
52.73
C

ATOM
5549
CD
GLU
D
47
44.509
21.929
80.829
1.00
58.37
C

ATOM
5550
OE1
GLU
D
47
45.241
22.328
81.762
1.00
63.82
O

ATOM
5551
OE2
GLU
D
47
44.957
21.721
79.878
1.00
57.61
O

ATOM
5552
C
GLU
D
47
43.507
19.356
84.190
1.00
45.31
C

ATOM
5553
O
GLU
D
47
44.503
19.883
84.863
1.00
42.93
O

ATOM
5554
N
LYS
D
48
42.473
18.705
84.726
1.00
45.81
N

ATOM
5555
CA
LYS
D
48
42.546
18.255
86.114
1.00
47.29
C

ATOM
5556
CB
LYS
D
48
41.165
17.901
86.683
1.00
49.93
C

ATOM
5557
CG
LYS
D
48
41.194
17.413
88.176
1.00
43.82
C

ATOM
5558
CD
LYS
D
48
39.827
16.826
88.536
1.00
47.40
C

ATOM
5559
CE
LYS
D
48
39.738
16.408
90.026
1.00
51.57
C

ATOM
5560
NZ
LYS
D
48
39.579
17.575
90.953
1.00
47.40
N

ATOM
5561
C
LYS
D
48
43.475
17.058
86.200
1.00
45.95
C

ATOM
5562
O
LYS
D
48
44.404
17.075
86.964
1.00
45.37
O

ATOM
5563
N
TYR
D
49
43.218
16.017
85.415
1.00
43.12
N

ATOM
5564
CA
TYR
D
49
44.006
14.790
85.480
1.00
44.94
C

ATOM
5565
CB
TYR
D
49
43.146
13.554
85.157
1.00
44.88
C

ATOM
5566
CG
TYR
D
49
42.040
13.379
86.167
1.00
45.34
C

ATOM
5567
CD1
TYR
D
49
42.283
12.757
87.378
1.00
50.21
C

ATOM
5568
CE1
TYR
D
49
41.281
12.614
88.327
1.00
52.91
C

ATOM
5569
CZ
TYR
D
49
40.017
13.104
88.081
1.00
52.03
C

ATOM
5570
OH
TYR
D
49
39.034
12.969
89.044
1.00
43.53
O

ATOM
5571
CE2
TYR
D
49
39.741
13.740
86.876
1.00
49.60
C

ATOM
5572
CD2
TYR
D
49
40.757
13.873
85.927
1.00
51.45
C

ATOM
5573
C
TYR
D
49
45.274
14.824
84.650
1.00
46.80
C

ATOM
5574
O
TYR
D
49
45.408
14.063
83.707
1.00
48.52
O

ATOM
5575
N
SER
D
50
46.224
15.576
85.062
1.00
48.84
N

ATOM
5576
CA
SER
D
50
47.459
15.968
84.303
1.00
48.78
C

ATOM
5577
CB
SER
D
50
48.242
17.112
84.979
1.00
49.96
C

ATOM
5578
CG
SER
D
50
48.620
16.803
86.320
1.00
49.51
C

ATOM
5579
C
SER
D
50
48.370
14.753
84.091
1.00
50.15
C

ATOM
5580
O
SER
D
50
49.246
14.768
83.231
1.00
49.84
O

ATOM
5581
N
ASN
D
51
48.144
13.710
84.890
1.00
51.08
N

ATOM
5582
CA
ASN
D
51
48.885
12.453
84.858
1.00
52.79
C

ATOM
5583
CB
ASN
D
51
48.795
11.835
86.251
1.00
56.29
C

ATOM
5584
CG
ASN
D
51
47.357
11.838
86.805
1.00
62.53
C

ATOM
5585
OD1
ASN
D
51
46.689
12.879
86.845
1.00
58.23
O

ATOM
5586
ND2
ASN
D
51
46.890
10.669
87.241
1.00
70.00
N

ATOM
5587
C
ASN
D
51
48.384
11.421
83.820
1.00
53.69
C

ATOM
5588
O
ASN
D
51
49.037
10.389
83.595
1.00
54.66
O

ATOM
5589
N
VAL
D
52
47.228
11.712
83.228
1.00
51.60
N

ATOM
5590
CA
VAL
D
52
46.563
10.842
82.267
1.00
49.45
C

ATOM
5591
CB
VAL
D
52
45.098
10.639
82.663
1.00
49.80
C

ATOM
5592
CG1
VAL
D
52
44.343
9.825
81.509
1.00
48.53
C

ATOM
5593
CG2
VAL
D
52
44.994
9.963
83.998
1.00
44.01
C

ATOM
5594
C
VAL
D
52
46.606
11.496
80.888
1.00
49.88
C

ATOM
5595
O
VAL
D
52
46.467
12.716
80.775
1.00
51.05
O

ATOM
5596
N
ILE
D
53
46.811
10.689
79.848
1.00
47.06
N

ATOM
5597
CA
ILE
D
53
46.898
11.199
78.402
1.00
45.88
C

ATOM
5598
CB
ILE
D
53
47.881
10.365
77.605
1.00
46.20
C

ATOM
5599
CG1
ILE
D
53
49.316
10.312
78.199
1.00
45.89
C

ATOM
5600
CD1
ILE
D
53
50.206
11.505
77.874
1.00
58.14
C

ATOM
5601
CG2
ILE
D
53
47.787
10.769
76.080
1.00
43.66
C

ATOM
5602
C
ILE
D
53
45.494
11.179
77.834
1.00
45.01
C

ATOM
5603
O
ILE
D
53
44.812
10.149
77.837
1.00
44.14
O

ATOM
5604
N
PHE
D
54
45.084
12.316
77.265
1.00
45.79
N

ATOM
5605
CA
PHE
D
54
43.754
12.445
78.652
1.00
41.98
C

ATOM
5606
CB
PHE
D
54
42.965
13.613
77.284
1.00
40.32
C

ATOM
5607
CG
PHE
D
54
42.496
13.353
78.701
1.00
42.19
C

ATOM
5608
CD1
PHE
D
54
43.387
13.415
79.782
1.00
47.65
C

ATOM
5609
CE1
PHE
D
54
42.950
13.173
81.090
1.00
46.34
C

ATOM
5610
CZ
PHE
D
54
41.618
12.886
81.335
1.00
46.86
C

ATOM
5611
CE2
PHE
D
54
40.726
12.840
80.271
1.00
54.23
C

ATOM
5612
CD2
PHE
D
54
41.170
13.072
78.966
1.00
53.58
C

ATOM
5613
C
PHE
D
54
43.848
12.637
75.144
1.00
45.83
C

ATOM
5614
O
PHE
D
54
44.492
13.580
74.662
1.00
43.60
O

ATOM
5615
N
LEU
D
55
43.196
11.746
74.398
1.00
43.62
N

ATOM
5616
CA
LEU
D
55
43.222
11.810
72.943
1.00
44.07
C

ATOM
5617
CB
LEU
D
55
43.914
10.576
72.370
1.00
46.54
C

ATOM
5618
CG
LEU
D
55
45.308
10.162
72.840
1.00
45.20
C

ATOM
5619
CD1
LEU
D
55
45.680
8.855
72.193
1.00
42.63
C

ATOM
5620
CD2
LEU
D
55
46.314
11.256
72.496
1.00
42.54
C

ATOM
5621
C
LEU
D
55
41.821
11.893
72.370
1.00
43.71
C

ATOM
5622
O
LEU
D
55
40.882
11.424
72.985
1.00
42.73
O

ATOM
5623
N
GLU
D
56
41.688
12.503
71.198
1.00
43.76
N

ATOM
5624
CA
GLU
D
56
40.415
12.440
70.454
1.00
48.04
C

ATOM
5625
CB
GLU
D
56
39.689
13.782
70.377
1.00
49.64
C

ATOM
5626
CG
GLU
D
56
38.318
13.614
69.644
1.00
44.97
C

ATOM
5627
CD
GLU
D
56
37.712
14.922
69.204
1.00
62.32
C

ATOM
5628
OE1
GLU
D
56
37.512
15.795
70.084
1.00
57.12
C

ATOM
5629
OE2
GLU
D
56
37.435
15.067
67.973
1.00
56.35
C

ATOM
5630
C
GLU
D
56
40.623
11.914
69.028
1.00
47.39
C

ATOM
5631
O
GLU
D
56
41.536
12.349
68.323
1.00
48.54
O

ATOM
5632
N
VAL
D
57
39.772
10.973
68.640
1.00
46.90
N

ATOM
5633
CA
VAL
D
57
39.714
10.482
67.260
1.00
45.81
C

ATOM
5634
CB
VAL
D
57
39.984
8.972
67.209
1.00
46.22
C

ATOM
5635
CG1
VAL
D
57
39.960
8.465
65.775
1.00
48.02
C

ATOM
5636
CG2
VAL
D
57
41.342
8.672
67.869
1.00
39.46
C

ATOM
5637
C
VAL
D
57
38.364
10.802
66.666
1.00
45.88
C

ATOM
5638
O
VAL
D
57
37.337
10.400
67.203
1.00
43.24
O

ATOM
5639
N
ASP
D
58
38.367
11.538
65.557
1.00
45.37
N

ATOM
5640
CA
ASP
D
58
37.134
11.823
64.849
1.00
47.62
C

ATOM
5641
CB
ASP
D
58
37.232
13.136
64.081
1.00
47.86
C

ATOM
5642
CG
ASP
D
58
35.936
13.497
63.398
1.00
50.72
C

ATOM
5643
OD1
ASP
D
58
35.506
12.754
62.501
1.00
50.92
O

ATOM
5644
OD2
ASP
D
58
35.344
14.522
63.763
1.00
46.12
O

ATOM
5645
C
ASP
D
58
36.872
10.665
63.920
1.00
44.92
C

ATOM
5646
O
ASP
D
58
37.675
10.367
63.019
1.00
46.96
O

ATOM
5647
N
VAL
D
59
35.761
9.990
64.164
1.00
43.94
N

ATOM
5648
CA
VAL
D
59
35.507
8.701
63.514
1.00
45.77
C

ATOM
5649
CB
VAL
D
59
34.311
7.947
64.164
1.00
43.94
C

ATOM
5650
CG1
VAL
D
59
34.495
7.811
65.650
1.00
44.95
C

ATOM
5651
CG2
VAL
D
59
32.980
8.640
63.836
1.00
49.96
C

ATOM
5652
C
VAL
D
59
35.215
8.871
62.015
1.00
45.76
C

ATOM
5653
O
VAL
D
59
35.247
7.881
61.259
1.00
47.33
O

ATOM
5654
N
ASP
D
60
34.917
10.108
61.598
1.00
44.34
N

ATOM
5655
CA
ASP
D
60
34.674
10.387
60.176
1.00
45.36
C

ATOM
5656
CB
ASP
D
60
33.736
11.580
59.975
1.00
45.74
C

ATOM
5657
CG
ASP
D
60
32.381
11.287
60.475
1.00
53.12
C

ATOM
5658
OD1
ASP
D
60
31.772
12.082
61.255
1.00
58.89
O

ATOM
5659
OD2
ASP
D
60
31.804
10.230
60.116
1.00
50.52
O

ATOM
5660
C
ASP
D
60
35.978
10.592
59.442
1.00
46.33
C

ATOM
5661
O
ASP
D
60
36.126
10.153
58.312
1.00
47.56
O

ATOM
5662
N
ASP
D
61
36.924
11.256
60.092
1.00
47.04
N

ATOM
5663
CA
ASP
D
61
38.221
11.520
59.505
1.00
48.99
C

ATOM
5664
CB
ASP
D
61
38.933
12.658
60.230
1.00
49.34
C

ATOM
5665
CG
ASP
D
61
38.171
13.975
60.182
1.00
52.23
C

ATOM
5666
OD1
ASP
D
61
37.610
14.340
59.126
1.00
55.41
O

ATOM
5667
OD2
ASP
D
61
38.199
14.686
61.209
1.00
52.09
O

ATOM
5668
C
ASP
D
61
39.108
10.281
59.533
1.00
52.51
C

ATOM
5669
O
ASP
D
61
39.838
10.012
58.558
1.00
52.35
O

ATOM
5670
N
CYS
D
62
39.049
9.544
60.643
1.00
52.76
N

ATOM
5671
CA
CYS
D
62
39.869
8.350
60.837
1.00
55.28
C

ATOM
5672
CB
CYS
D
62
40.729
8.505
62.081
1.00
55.72
C

ATOM
5673
SG
CYS
D
62
41.784
9.941
62.015
1.00
64.64
S

ATOM
5674
C
CYS
D
62
39.014
7.099
60.946
1.00
54.12
C

ATOM
5675
O
CYS
D
62
38.967
6.458
61.991
1.00
53.96
O

ATOM
5676
N
GLN
D
63
38.339
6.745
59.860
1.00
56.00
N

ATOM
5677
CA
GLN
D
63
37.417
5.598
59.876
1.00
59.33
C

ATOM
5678
CB
GLN
D
63
36.637
5.468
58.554
1.00
61.29
C

ATOM
5679
CG
GLN
D
63
36.006
6.753
58.035
1.00
68.11
O

ATOM
5680
CD
GLN
D
63
35.515
6.653
56.577
1.00
77.29
C

ATOM
5681
OE1
GLN
D
63
35.398
7.760
55.879
1.00
79.98
O

ATOM
5682
NE2
GLN
D
63
35.231
5.430
56.118
1.00
81.11
N

ATOM
5683
C
GLN
D
63
38.127
4.281
60.215
1.00
58.06
C

ATOM
5684
O
GLN
D
63
37.544
3.415
60.861
1.00
57.77
O

ATOM
5685
N
ASP
D
64
39.381
4.143
59.769
1.00
59.03
N

ATOM
5686
CA
ASP
D
64
40.181
2.927
59.993
1.00
59.42
C

ATOM
5687
CB
ASP
D
64
41.378
2.864
59.027
1.00
60.23
C

ATOM
5688
CG
ASP
D
64
42.345
4.040
59.189
1.00
65.06
C

ATOM
5689
OD1
ASP
D
64
41.928
5.132
59.643
1.00
70.36
O

ATOM
5690
OD2
ASP
D
64
43.540
3.870
58.843
1.00
75.99
O

ATOM
5691
C
ASP
D
64
40.630
2.729
61.452
1.00
58.41
C

ATOM
5692
O
ASP
D
64
40.646
1.602
61.955
1.00
60.95
O

ATOM
5693
N
VAL
D
65
41.001
3.818
62.124
1.00
55.77
N

ATOM
5694
CA
VAL
D
65
41.302
3.776
63.558
1.00
54.61
C

ATOM
5695
CB
VAL
D
65
41.854
5.139
64.102
1.00
55.00
C

ATOM
5696
CG1
VAL
D
65
42.094
5.093
65.607
1.00
45.71
C

ATOM
5697
CG2
VAL
D
65
43.135
5.505
63.400
1.00
56.28
C

ATOM
5698
C
VAL
D
65
40.019
3.349
64.269
1.00
53.37
C

ATOM
5699
O
VAL
D
65
40.026
2.384
65.044
1.00
53.41
O

ATOM
5700
N
ALA
D
66
38.912
4.029
63.955
1.00
51.42
N

ATOM
5701
CA
ALA
D
66
37.608
3.691
64.527
1.00
47.51
C

ATOM
5702
CB
ALA
D
66
36.559
4.617
64.006
1.00
47.07
C

ATOM
5703
C
ALA
D
66
37.185
2.238
64.319
1.00
47.52
C

ATOM
5704
O
ALA
D
66
36.644
1.613
65.234
1.00
46.36
O

ATOM
5705
N
SER
D
67
37.419
1.697
63.123
1.00
47.29
N

ATOM
5706
CA
SER
D
67
36.989
0.335
62.835
1.00
48.46
C

ATOM
5707
CB
SER
D
67
36.775
0.102
61.326
1.00
50.07
C

ATOM
5708
OG
SER
D
67
37.899
0.493
60.563
1.00
57.77
O

ATOM
5709
C
SER
D
67
37.903
−0.713
63.465
1.00
47.72
C

ATOM
5710
O
SER
D
67
37.442
−1.780
63.880
1.00
45.78
O

ATOM
5711
N
GLU
D
68
39.194
−0.410
63.541
1.00
50.89
N

ATOM
5712
CA
GLU
D
68
40.130
−1.295
64.238
1.00
53.07
C

ATOM
5713
CB
GLU
D
68
41.572
−0.011
63.934
1.00
54.20
C

ATOM
5714
CG
GLU
D
68
41.990
−1.311
62.533
1.00
62.12
C

ATOM
5715
CD
GLU
D
68
43.436
−0.978
62.216
1.00
70.69
C

ATOM
5716
OE1
GLU
D
68
43.832
−1.167
61.044
1.00
70.10
O

ATOM
5717
OE2
GLU
D
68
44.175
−0.530
63.128
1.00
72.37
O

ATOM
5718
C
GLU
D
68
39.866
−1.301
65.745
1.00
51.98
C

ATOM
5719
O
GLU
D
68
39.976
−2.329
66.408
1.00
52.75
O

ATOM
5720
N
CYS
D
69
39.483
−0.147
66.275
1.00
53.22
N

ATOM
5721
CA
CYS
D
69
39.069
−0.062
67.666
1.00
50.32
C

ATOM
5722
CB
CYS
D
69
39.317
1.349
68.192
1.00
50.25
C

ATOM
5723
SG
CYS
D
69
41.095
1.799
68.095
1.00
46.98
S

ATOM
5724
C
CYS
D
69
37.617
−0.536
57.847
1.00
50.70
C

ATOM
5725
O
CYS
D
69
37.136
−0.659
58.974
1.00
52.29
O

ATOM
5726
N
GLU
D
70
36.939
−0.816
66.730
1.00
49.00
N

ATOM
5727
CA
GLU
D
70
35.578
−1.353
66.727
1.00
49.15
C

ATOM
5728
CB
GLU
D
70
35.524
−2.751
67.343
1.00
50.78
C

ATOM
5729
CG
GLU
D
70
36.157
3.845
68.500
1.00
51.38
C

ATOM
5730
OD
GLU
D
70
36.127
−5.184
67.207
1.00
54.24
C

ATOM
5731
OE1
GLU
D
70
36.537
−5.246
68.390
1.00
58.44
O

ATOM
5732
OE2
GLU
D
70
35.695
−6.172
66.583
1.00
59.17
O

ATOM
5733
C
GLU
D
70
34.573
−0.424
67.402
1.00
48.64
C

ATOM
5734
O
GLU
D
70
33.725
−0.836
68.211
1.00
48.98
O

ATOM
5735
N
VAL
D
71
34.655
0.839
67.035
1.00
46.55
N

ATOM
5736
CA
VAL
D
71
33.754
1.825
67.571
1.00
46.03
C

ATOM
5737
CB
VAL
D
71
34.484
3.167
67.654
1.00
44.01
C

ATOM
5738
CG1
VAL
D
71
33.540
4.293
57.956
1.00
47.00
C

ATOM
5739
CG2
VAL
D
71
35.497
3.052
68.775
1.00
45.26
C

ATOM
5740
C
VAL
D
71
32.470
1.836
66.718
1.00
46.80
C

ATOM
5741
O
VAL
D
71
32.540
1.779
65.491
1.00
48.20
O

ATOM
5742
N
LYS
D
72
31.328
1.885
67.370
1.00
47.15
N

ATOM
5743
CA
LYS
D
72
30.063
1.695
66.675
1.00
49.17
C

ATOM
5744
CB
LYS
D
72
29.453
0.340
67.052
1.00
51.51
C

ATOM
5745
CG
LYS
D
72
30.068
−0.830
66.272
1.00
52.29
C

ATOM
5746
CD
LYS
D
72
30.154
−2.075
67.118
1.00
54.88
C

ATOM
5747
CE
LYS
D
72
31.270
−2.984
66.608
1.00
62.14
C

ATOM
5748
NZ
LYS
D
72
31.467
−4.187
67.469
1.00
64.72
N

ATOM
5749
C
LYS
D
72
29.088
2.836
66.919
1.00
48.56
C

ATOM
5750
O
LYS
D
72
28.075
2.980
66.233
1.00
45.15
O

ATOM
5751
N
CYS
D
73
29.406
3.637
67.024
1.00
46.47
N

ATOM
5752
CA
CYS
D
73
28.539
4.821
68.235
1.00
44.60
C

ATOM
5753
CB
CYS
D
73
27.489
4.499
69.189
1.00
45.53
C

ATOM
5754
SG
CYS
D
73
28.024
3.815
70.786
1.00
48.68
S

ATOM
5755
C
CYS
D
73
29.560
5.838
68.868
1.00
43.52
C

ATOM
5756
O
CYS
D
73
30.719
5.512
69.252
1.00
42.06
O

ATOM
5757
N
MET
D
74
29.024
7.042
69.010
1.00
40.25
N

ATOM
5758
CA
MET
D
74
29.780
8.202
69.471
1.00
41.42
C

ATOM
5759
CB
MET
D
74
30.074
9.108
68.291
1.00
40.05
C

ATOM
5760
CG
MET
D
74
31.039
8.508
67.251
1.00
42.13
C

ATOM
5761
SD
MET
D
74
30.322
7.298
65.131
1.00
52.41
S

ATOM
5762
CE
MET
D
74
29.208
8.333
65.212
1.00
45.39
C

ATOM
5763
C
MET
D
74
28.937
8.983
70.488
1.00
41.12
C

ATOM
5764
O
MET
D
74
27.732
9.066
70.302
1.00
41.93
O

ATOM
5765
N
PRO
D
75
29.549
9.536
71.562
1.00
41.62
N

ATOM
5766
CA
PRO
D
75
30.954
9.357
71.973
1.00
39.94
C

ATOM
5767
CB
PRO
D
75
31.148
10.411
73.048
1.00
39.90
C

ATOM
5768
CG
PRO
D
75
29.848
10.572
73.670
1.00
41.91
C

ATOM
5769
CD
PRO
D
75
28.834
10.423
72.505
1.00
39.59
C

ATOM
5770
C
PRO
D
75
31.153
8.000
72.560
1.00
41.35
C

ATOM
5771
O
PRO
D
75
30.279
7.529
73.274
1.00
39.98
O

ATOM
5772
N
THR
D
76
32.257
7.356
72.197
1.00
41.47
N

ATOM
5773
CA
THR
D
76
32.717
6.121
72.856
1.00
42.77
C

ATOM
5774
CB
THR
D
76
32.857
4.952
71.880
1.00
46.66
C

ATOM
5775
OG1
THR
D
76
31.554
4.569
71.448
1.00
47.85
O

ATOM
5776
CG2
THR
D
76
33.512
3.693
72.523
1.00
49.70
C

ATOM
5777
C
THR
D
76
34.069
6.468
73.485
1.00
45.14
C

ATOM
5778
O
THR
D
76
34.901
7.111
72.844
1.00
42.52
O

ATOM
5779
N
PHE
D
77
34.265
6.037
74.733
1.00
43.22
N

ATOM
5780
CA
PHE
D
77
35.497
6.309
75.452
1.00
43.11
C

ATOM
5781
CB
PHE
D
77
35.161
6.996
76.752
1.00
37.90
C

ATOM
5782
CG
PHE
D
77
34.595
8.396
76.555
1.00
44.57
C

ATOM
5783
CD1
PHE
D
77
35.440
9.442
76.319
1.00
38.57
C

ATOM
5784
CE1
PHE
D
77
34.897
10.702
76.104
1.00
49.55
C

ATOM
5785
CZ
PHE
D
77
33.520
10.876
76.159
1.00
35.01
C

ATOM
5786
CE2
PHE
D
77
32.692
9.823
76.434
1.00
44.99
C

ATOM
5787
CD2
PHE
D
77
33.230
8.570
76.614
1.00
43.54
C

ATOM
5788
C
PHE
D
77
36.227
5.006
75.710
1.00
42.39
C

ATOM
5789
O
PHE
D
77
35.693
4.118
76.318
1.00
44.58
O

ATOM
5790
N
GLN
D
78
37.425
4.898
75.169
1.00
41.07
N

ATOM
5791
CA
GLN
D
78
38.234
3.730
75.373
1.00
41.75
O

ATOM
5792
CB
GLN
D
78
38.660
3.168
74.039
1.00
42.17
C

ATOM
5793
CG
GLN
D
78
37.463
2.613
73.226
1.00
48.56
C

ATOM
5794
CD
GLN
D
78
37.905
1.714
72.102
1.00
48.56
C

ATOM
5795
OE1
GLN
D
78
39.068
1.728
71.727
1.00
51.64
O

ATOM
5796
NE2
GLN
D
78
36.971
0.941
71.537
1.00
45.64
N

ATOM
5797
C
GLN
D
78
39.440
4.115
76.233
1.00
41.66
C

ATOM
5798
O
GLN
D
78
39.934
5.219
76.111
1.00
38.37
O

ATOM
5799
N
PHE
D
79
39.892
3.168
77.062
1.00
40.93
N

ATOM
5800
CA
PHE
D
79
40.915
3.360
78.088
1.00
43.25
C

ATOM
5801
CB
PHE
D
79
40.271
3.149
79.488
1.00
38.73
C

ATOM
5802
CG
PHE
D
79
39.215
4.192
79.822
1.00
46.94
C

ATOM
5803
CD1
PHE
D
79
37.894
4.073
79.327
1.00
34.03
C

ATOM
5804
CE1
PHE
D
79
36.915
5.095
79.577
1.00
51.64
C

ATOM
5805
CZ
PHE
D
79
37.255
6.243
80.308
1.00
29.87
C

ATOM
5806
CE2
PHE
D
79
38.566
6.335
80.853
1.00
37.51
C

ATOM
5807
CD2
PHE
D
79
39.544
5.327
80.577
1.00
34.48
C

ATOM
5808
C
PHE
D
79
42.118
2.429
77.808
1.00
43.61
C

ATOM
5809
O
PHE
D
79
41.933
1.215
77.665
1.00
45.42
O

ATOM
5810
N
PHE
D
80
43.326
2.994
77.665
1.00
42.07
N

ATOM
5811
CA
PHE
D
80
44.545
2.177
77.402
1.00
44.50
C

ATOM
5812
CB
PHE
D
80
45.119
2.435
76.012
1.00
41.60
C

ATOM
5813
CG
PHE
D
80
44.149
2.141
74.903
1.00
49.76
C

ATOM
5814
CD1
PHE
D
80
43.170
3.069
74.558
1.00
44.21
C

ATOM
5815
CE1
PHE
D
80
42.251
2.796
73.539
1.00
46.25
C

ATOM
5816
CZ
PHE
D
80
42.307
1.602
72.856
1.00
46.03
C

ATOM
5817
CE2
PHE
D
80
43.264
0.675
73.176
1.00
42.57
C

ATOM
5818
CD2
PHE
D
80
44.196
0.934
74.211
1.00
35.89
C

ATOM
5819
C
PHE
D
80
45.691
2.306
78.422
1.00
46.58
C

ATOM
5820
O
PHE
D
80
45.859
3.347
79.057
1.00
47.91
O

ATOM
5821
N
LYS
D
81
46.480
1.122
78.531
1.00
47.01
N

ATOM
5822
CA
LYS
D
81
47.704
1.134
79.306
1.00
49.17
C

ATOM
5823
CB
LYS
D
81
47.450
0.449
80.652
1.00
49.03
C

ATOM
5824
CG
LYS
D
81
47.072
1.374
81.813
1.00
51.56
C

ATOM
5825
CD
LYS
D
81
46.612
0.528
83.002
1.00
57.72
C

ATOM
5826
CE
LYS
D
81
47.158
1.064
84.317
1.00
64.84
C

ATOM
5827
NZ
LYS
D
81
46.277
2.140
84.859
1.00
68.03
N

ATOM
5828
C
LYS
D
81
48.709
0.302
78.502
1.00
48.75
C

ATOM
5829
O
LYS
D
81
48.419
−0.846
78.131
1.00
47.96
O

ATOM
5830
N
LYS
D
82
49.880
0.879
78.218
1.00
49.71
N

ATOM
5831
CA
LYS
D
82
50.932
0.162
77.483
1.00
49.93
C

ATOM
5832
CB
LYS
D
82
51.616
−0.872
78.399
1.00
48.69
C

ATOM
5833
CG
LYS
D
82
52.832
−0.327
79.143
1.00
50.64
C

ATOM
5834
CD
LYS
D
82
54.140
−0.772
78.454
1.00
58.64
C

ATOM
5835
CE
LYS
D
82
55.310
0.212
78.778
1.00
52.29
C

ATOM
5836
NZ
LYS
D
82
55.845
0.037
80.303
1.00
44.60
N

ATOM
5837
C
LYS
D
82
50.421
−0.495
76.191
1.00
50.39
C

ATOM
5838
O
LYS
D
82
50.857
−1.592
75.824
1.00
49.69
O

ATOM
5839
N
GLY
D
83
49.491
0.185
75.515
1.00
51.13
N

ATOM
5840
CA
GLY
D
83
48.962
−0.246
74.215
1.00
52.28
C

ATOM
5841
C
GLY
D
83
47.853
−1.286
74.272
1.00
52.92
C

ATOM
5842
O
GLY
D
83
47.455
−1.822
73.239
1.00
52.01
O

ATOM
5843
N
GLN
D
84
47.367
−1.560
75.485
1.00
53.60
N

ATOM
5844
CA
GLN
D
84
46.365
−2.596
75.775
1.00
54.17
C

ATOM
5845
CB
GLN
D
84
46.951
−3.630
76.097
1.00
53.63
C

ATOM
5846
CG
GLN
D
84
47.751
−4.762
76.097
1.00
53.63
C

ATOM
5847
CD
GLN
D
84
40.850
−5.085
75.561
1.00
53.69
C

ATOM
5848
OE1
GLN
D
84
46.179
−5.700
74.541
1.00
49.73
O

ATOM
5849
NE2
GLN
D
84
48.825
−6.995
76.256
1.00
47.78
N

ATOM
5850
C
GLN
D
84
45.127
−1.969
76.413
1.00
53.65
C

ATOM
5851
O
GLN
D
84
45.257
−1.143
77.321
1.00
53.73
O

ATOM
5852
N
LYS
D
85
43.939
−2.380
75.956
1.00
53.77
N

ATOM
5853
CA
LYS
D
85
42.671
−1.754
76.376
1.00
52.49
C

ATOM
5854
CB
LYS
D
85
41.583
−1.887
75.286
1.00
51.03
C

ATOM
5855
CG
LYS
D
85
40.223
−1.279
75.688
1.00
50.56
C

ATOM
5856
CD
LYS
D
85
39.195
−1.285
74.545
1.00
49.76
C

ATOM
5857
CE
LYS
D
85
38.959
−2.690
73.996
1.00
56.91
C

ATOM
5858
N2
LYS
D
85
38.453
−2.664
72.586
1.00
60.05
N

ATOM
5859
C
LYS
D
85
42.160
−2.297
77.710
1.00
51.03
C

ATOM
5860
O
LYS
D
85
42.008
−3.506
77.878
1.00
51.51
O

ATOM
5861
N
VAL
D
86
41.881
−1.393
78.650
1.00
50.29
N

ATOM
5862
CA
VAL
D
86
41.455
−1.801
79.999
1.00
46.71
C

ATOM
5863
CB
VAL
D
86
42.499
−1.438
81.108
1.00
48.99
C

ATOM
5864
CG1
VAL
D
86
43.745
−2.278
80.949
1.00
46.59
C

ATOM
5865
CG2
VAL
D
86
42.842
0.043
81.105
1.00
46.37
C

ATOM
5866
C
VAL
D
86
40.053
−1.323
80.371
1.00
45.03
C

ATOM
5867
O
VAL
D
86
39.561
−1.569
81.476
1.00
40.11
O

ATOM
5868
N
GLY
D
87
39.389
−0.654
79.433
1.00
42.78
N

ATOM
5869
CA
GLY
D
87
38.028
−0.241
70.697
1.00
44.23
C

ATOM
5870
C
GLY
D
87
37.407
0.423
78.498
1.00
44.80
C

ATOM
5871
O
GLY
D
87
37.111
0.856
77.577
1.00
44.43
O

ATOM
5872
N
GLU
D
88
36.084
0.510
78.531
1.00
44.53
N

ATOM
5873
CA
GLU
D
88
35.329
1.125
77.450
1.00
47.91
C

ATOM
5874
CB
GLU
D
88
35.439
0.254
76.194
1.00
47.01
C

ATOM
5875
CG
GLU
D
88
34.605
0.717
75.011
1.00
58.56
C

ATOM
5876
CD
GLU
D
88
34.725
−0.214
73.813
1.00
54.89
C

ATOM
5877
OE1
GLU
D
88
35.327
−1.318
73.932
1.00
57.37
O

ATOM
5878
OE2
GLU
D
88
34.216
0.177
72.753
1.00
61.90
O

ATOM
5879
C
GLU
D
88
33.885
1.262
77.879
1.00
47.82
C

ATOM
5880
O
GLU
D
88
33.344
0.384
78.533
1.00
50.48
O

ATOM
5881
N
PHE
D
89
33.283
2.390
77.549
1.00
45.41
N

ATOM
5882
CA
PHE
D
89
31.848
2.552
77.645
1.00
45.13
C

ATOM
5883
CB
PHE
D
89
31.391
3.069
79.013
1.00
45.32
C

ATOM
5884
CG
PHE
D
89
31.776
4.512
79.271
1.00
47.89
C

ATOM
5885
CD1
PHE
D
89
30.902
5.550
78.967
1.00
38.93
C

ATOM
5886
CE1
PHE
D
89
31.265
5.871
79.193
1.00
43.48
C

ATOM
5887
CZ
PHE
D
89
32.265
7.143
79.748
1.00
43.11
C

ATOM
5888
CE2
PHE
D
89
33.363
6.094
80.069
1.00
46.89
C

ATOM
5889
CD2
PHE
D
89
33.000
4.809
79.839
1.00
39.62
C

ATOM
5890
C
PHE
D
89
31.488
3.540
76.547
1.00
46.76
C

ATOM
5891
O
PHE
D
89
32.359
4.177
75.968
1.00
47.29
O

ATOM
5892
N
SER
D
90
30.203
3.638
76.256
1.00
48.04
N

ATOM
5893
CA
SER
D
90
29.722
4.529
75.237
1.00
46.62
C

ATOM
5894
CB
SER
D
90
29.052
3.706
74.143
1.00
47.11
C

ATOM
5895
OG
SER
D
90
30.023
3.279
73.190
1.00
41.80
O

ATOM
5896
C
SER
D
90
28.767
5.536
75.878
1.00
47.56
C

ATOM
5897
O
SER
D
90
28.086
5.204
76.842
1.00
44.33
O

ATOM
5898
N
GLY
D
91
28.741
6.778
75.386
1.00
42.37
N

ATOM
5899
CA
GLY
D
91
27.710
7.702
75.849
1.00
41.92
C

ATOM
5900
C
GLY
D
91
28.235
8.979
76.431
1.00
44.68
C

ATOM
5901
O
GLY
D
91
29.238
8.961
77.117
1.00
47.54
O

ATOM
5902
N
ALA
D
92
27.562
10.099
76.165
1.00
48.01
N

ATOM
5903
CA
ALA
D
92
27.938
11.376
76.807
1.00
48.71
N

ATOM
5904
CB
ALA
D
92
27.355
12.544
76.048
1.00
46.03
C

ATOM
5905
C
ALA
D
92
27.566
11.441
78.313
1.00
50.93
C

ATOM
5906
O
ALA
D
92
26.711
12.245
78.722
1.00
49.60
O

ATOM
5907
N
ASN
D
93
28.214
10.583
79.109
1.00
50.62
N

ATOM
5908
CA
ASN
D
93
27.978
0.415
80.567
1.00
48.89
C

ATOM
5909
CB
ASN
D
93
27.610
8.965
80.865
1.00
45.10
C

ATOM
5910
CG
ASN
D
93
27.089
8.752
82.275
1.00
51.20
C

ATOM
5911
OD1
ASN
D
93
27.244
9.598
83.160
1.00
49.42
O

ATOM
5912
ND2
ASN
D
93
26.487
7.585
82.496
1.00
51.09
N

ATOM
5913
C
ASN
D
93
29.243
10.804
81.336
1.00
49.01
C

ATOM
5914
O
ASN
D
93
30.138
9.969
81.553
1.00
50.36
O

ATOM
5915
N
LYS
D
94
29.291
12.065
81.752
1.00
48.68
N

ATOM
5916
CA
LYS
D
94
30.483
12.674
82.330
1.00
52.09
C

ATOM
5917
CB
LYS
D
94
30.341
14.198
82.409
1.00
54.01
C

ATOM
5918
CG
LYS
D
94
29.233
14.681
83.312
1.00
60.55
C

ATOM
5919
CD
LYS
D
94
28.849
16.128
83.022
1.00
72.15
C

ATOM
5920
CE
LYS
D
94
28.059
16.698
84.199
1.00
85.75
N

ATOM
5921
NZ
LYS
D
94
27.311
17.941
83.858
1.00
85.75
N

ATOM
5922
C
LYS
D
94
30.878
12.091
83.669
1.00
51.57
N

ATOM
5923
O
LYS
D
94
32.064
11.959
83.960
1.00
52.81
O

ATOM
5924
N
GLU
D
95
29.882
11.699
84.456
1.00
52.02
N

ATOM
5925
CA
GLU
D
95
30.123
11.127
85.772
1.00
51.67
C

ATOM
5926
CB
GLU
D
95
28.843
11.124
86.604
1.00
53.69
C

ATOM
5927
CG
GLU
D
95
28.407
12.523
87.085
1.00
55.20
C

ATOM
5928
CD
GLU
D
95
27.697
13.344
86.010
1.00
64.34
C

ATOM
5929
OE1
GLU
D
95
27.353
12.779
84.944
1.00
69.83
O

ATOM
5930
OE2
GLU
D
95
27.466
14.556
86.235
1.00
68.04
O

ATOM
5931
C
GLU
D
95
30.667
9.723
85.568
1.00
51.89
C

ATOM
5932
O
GLU
D
95
31.630
9.345
86.193
1.00
50.04
O

ATOM
5933
N
LYS
D
96
30.094
8.961
84.642
1.00
47.45
N

ATOM
5934
CA
LYS
D
96
30.709
7.690
84.279
1.00
45.44
C

ATOM
5935
CB
LYS
D
96
29.877
6.901
83.261
1.00
44.89
C

ATOM
5936
CG
LYS
D
96
30.142
5.395
83.304
1.00
39.47
C

ATOM
5937
CD
LYS
D
96
29.421
4.689
82.125
1.00
34.30
C

ATOM
5938
CE
LYS
D
96
28.997
3.285
82.558
1.00
52.08
C

ATOM
5939
NZ
LYS
D
96
28.392
2.553
81.402
1.00
44.16
N

ATOM
5940
C
LYS
D
96
32.118
7.917
83.762
1.00
46.06
C

ATOM
5941
O
LYS
D
96
33.024
7.186
84.158
1.00
47.16
O

ATOM
5942
N
LEU
D
97
32.305
8.942
82.910
1.00
45.22
N

ATOM
5943
CA
LEU
D
97
33.618
9.332
82.399
1.00
39.81
C

ATOM
5944
CB
LEU
D
97
33.552
10.648
81.565
1.00
41.01
C

ATOM
5945
CG
LEU
D
97
34.766
11.196
80.785
1.00
48.61
C

ATOM
5946
CD1
LEU
D
97
35.495
10.121
80.060
1.00
33.39
C

ATOM
5947
CD2
LEU
D
97
34.484
12.433
79.800
1.00
37.91
C

ATOM
5948
C
LEU
D
97
34.641
9.480
83.541
1.00
43.19
C

ATOM
5949
O
LEU
D
97
35.670
8.805
83.549
1.00
45.72
C

ATOM
5950
N
GLU
D
98
34.359
10.363
84.488
1.00
42.83
N

ATOM
5951
CA
GLU
D
98
35.322
10.635
85.562
1.00
40.40
C

ATOM
5952
CB
GLU
D
98
34.936
11.869
86.393
1.00
41.24
C

ATOM
5953
CG
GLU
D
98
36.004
12.278
87.468
1.00
37.77
C

ATOM
5954
CD
GLU
D
98
35.703
13.609
88.121
1.00
42.72
C

ATOM
5955
OE1
GLU
D
98
34.552
14.075
88.069
1.00
46.65
O

ATOM
5956
OE2
GLU
D
98
36.623
14.205
88.721
1.00
43.90
O

ATOM
5957
C
GLU
D
98
35.548
9.451
86.467
1.00
44.20
C

ATOM
5958
O
GLU
D
98
36.664
9.264
86.949
1.00
49.54
O

ATOM
5959
N
ALA
D
99
34.490
8.685
86.721
1.00
44.20
N

ATOM
5960
CA
ALA
D
99
34.530
7.533
87.630
1.00
44.95
C

ATOM
5961
CB
ALA
D
99
33.126
7.098
87.965
1.00
44.32
C

ATOM
5962
C
ALA
D
99
35.324
6.377
87.011
1.00
45.62
C

ATOM
5963
O
ALA
D
99
36.071
5.706
87.680
1.00
40.12
O

ATOM
5964
N
THR
D
100
35.190
6.170
85.713
1.00
41.94
N

ATOM
5965
CA
THR
D
100
36.039
5.199
85.004
1.00
43.92
C

ATOM
5966
CB
THR
D
100
35.559
4.950
83.548
1.00
44.13
C

ATOM
5967
OG1
THR
D
100
34.119
4.913
83.514
1.00
42.05
O

ATOM
5968
CG2
THR
D
100
36.142
3.639
83.008
1.00
43.59
C

ATOM
5969
C
THR
D
100
37.521
5.607
84.997
1.00
46.46
C

ATOM
5970
O
THR
D
100
38.396
4.771
85.192
1.00
46.36
O

ATOM
5971
N
ILE
D
101
37.799
5.884
84.760
1.00
49.34
N

ATOM
5972
CA
ILE
D
101
39.181
7.387
84.831
1.00
50.71
C

ATOM
5973
CB
ILE
D
101
39.275
8.894
84.486
1.00
50.54
C

ATOM
5974
CG1
ILE
D
101
39.370
9.077
82.980
1.00
46.39
C

ATOM
5975
CD1
ILE
D
101
38.934
10.466
82.551
1.00
50.63
C

ATOM
5976
CG2
ILE
D
101
40.519
9.539
85.134
1.00
45.50
C

ATOM
5977
C
ILE
D
101
39.792
7.133
86.199
1.00
52.36
C

ATOM
5978
O
ILE
D
101
40.888
6.577
86.299
1.00
54.84
O

ATOM
5979
N
ASN
D
102
39.068
7.524
87.244
1.00
51.83
N

ATOM
5980
CA
ASN
D
102
39.519
7.334
88.617
1.00
47.43
C

ATOM
5981
CB
ASN
D
102
38.471
7.841
89.608
1.00
46.78
C

ATOM
5982
CG
ASN
D
102
38.406
9.359
89.678
1.00
48.96
C

ATOM
5983
OD1
ASN
D
102
39.390
10.037
89.390
1.00
49.35
O

ATOM
5984
ND2
ASN
D
102
37.222
9.909
90.077
1.00
47.85
N

ATOM
5985
C
ASN
D
102
39.755
5.859
88.911
1.00
50.27
C

ATOM
5986
O
ASN
D
102
40.576
5.509
89.767
1.00
48.67
O

ATOM
5987
N
GLU
D
103
39.010
5.006
88.223
1.00
45.69
N

ATOM
5988
CA
GLU
D
103
38.986
3.590
88.494
1.00
45.18
C

ATOM
5989
CB
GLU
D
103
37.610
3.028
88.071
1.00
43.70
C

ATOM
5990
CG
GLU
D
103
37.340
1.544
88.252
1.00
42.86
C

ATOM
5991
CD
GLU
D
103
35.996
1.084
87.630
1.00
50.57
C

ATOM
5992
OE1
GLU
D
103
35.649
1.516
86.488
1.00
46.31
O

ATOM
5993
OE2
GLU
D
103
35.293
0.256
88.273
1.00
56.72
O

ATOM
5994
C
GLU
D
103
40.139
2.896
87.781
1.00
44.65
C

ATOM
5995
O
GLU
D
103
40.481
1.776
88.110
1.00
45.78
O

ATOM
5996
N
LEU
D
104
40.745
3.553
86.806
1.00
45.35
N

ATOM
5997
CA
LEU
D
104
41.739
2.896
85.971
1.00
48.78
C

ATOM
5998
CB
LEU
D
104
41.239
2.719
84.522
1.00
46.64
C

ATOM
5999
CG
LEU
D
104
40.162
1.686
84.173
1.00
48.17
C

ATOM
6000
CD1
LEU
D
104
39.563
1.941
82.792
1.00
49.98
C

ATOM
6001
CD2
LEU
D
104
40.593
0.256
84.260
1.00
38.14
C

ATOM
6002
C
LEU
D
104
43.149
3.462
85.970
1.00
51.91
C

ATOM
6003
O
LEU
D
104
44.049
2.908
85.323
1.00
52.03
O

ATOM
6004
N
VAL
D
105
43.334
4.589
86.671
1.00
53.74
N

ATOM
6005
CA
VAL
D
105
44.639
5.234
86.766
1.00
55.55
C

ATOM
6006
CB
VAL
D
105
44.569
6.654
87.393
1.00
56.32
C

ATOM
6007
CG1
VAL
D
105
44.683
7.701
86.332
1.00
55.25
C

ATOM
6008
CG2
VAL
D
105
43.299
6.857
88.217
1.00
55.55
C

ATOM
6009
C
VAL
D
105
45.624
4.358
87.556
1.00
58.70
C

ATOM
6010
O
VAL
D
105
45.281
3.783
88.605
1.00
59.69
O

ATOM
6011
OXT
VAL
D
105
46.782
4.196
87.145
1.00
60.38
O

TER
6015

VAL
D
105

ATOM
6012
O
HOH
W
1
28.722
12.428
58.402
1.00
57.39
O

ATOM
6013
O
HOH
W
2
46.553
19.157
87.344
1.00
60.58
O

ATOM
6014
O
HOH
W
3
−0.567
11.558
27.281
1.00
30.04
O

ATOM
6015
O
HOH
W
4
−39.432
15.484
10.180
1.00
48.06
O

ATOM
6016
O
HOH
W
5
26.018
5.872
79.190
1.00
55.96
O

ATOM
6017
O
HOH
W
6
2.948
14.441
26.402
1.00
44.67
O

ATOM
6018
O
HOH
W
7
23.150
18.046
66.697
1.00
59.99
O

ATOM
6019
O
HOH
W
8
−35.599
0.963
34.424
1.00
58.99
O

ATOM
6020
O
HOH
W
9
25.967
−3.464
54.873
1.00
58.78
O

ATOM
6021
O
HOH
W
10
−33.980
3.312
13.855
1.00
38.31
O

ATOM
6022
O
HOH
W
11
34.794
−0.030
81.481
1.00
57.32
O

ATOM
6023
O
HOH
W
12
14.997
−7.259
59.551
1.00
47.59
O

ATOM
6024
O
HOH
W
13
−13.183
−7.071
3.174
1.00
65.27
O

ATOM
6025
O
HOH
W
14
−36.072
−2.268
15.444
1.00
50.64
O

ATOM
6026
O
HOH
W
15
−10.395
−11.497
65.407
1.00
44.07
O

ATOM
6027
O
HOH
W
16
37.740
17.611
74.257
1.00
34.60
O

ATOM
6028
O
HOH
W
17
5.092
9.687
69.671
1.00
61.79
O

ATOM
6029
O
HOH
W
18
13.931
2.194
75.916
1.00
42.79
O

ATOM
6030
O
HOH
W
19
24.536
3.346
71.228
1.00
40.01
O

ATOM
6031
O
HOH
W
20
7.540
15.296
27.203
1.00
42.09
O

ATOM
6032
O
HOH
W
21
8.016
3.301
42.314
1.00
30.48
O

ATOM
6033
O
HOH
W
22
−37.916
−5.571
19.597
1.00
44.61
O

ATOM
6034
O
HOH
W
23
−44.947
13.554
22.697
1.00
49.98
O

ATOM
6035
O
HOH
W
24
28.674
0.985
77.132
1.00
60.10
O

ATOM
6036
O
HOH
W
25
−3.523
−3.333
01.071
1.00
30.30
O

ATOM
6037
O
HOH
W
26
25.351
12.628
83.179
1.00
57.61
O

ATOM
6038
O
HOH
W
27
−4.814
−3.689
58.546
1.00
35.36
O

ATOM
6039
O
HOH
W
28
−14.527
−12.202
57.434
1.00
62.62
O

ATOM
6040
O
HOH
W
29
−3.172
−5.464
57.180
1.00
41.39
O

ATOM
6041
O
HOH
W
30
−10.20
−3.507
22.982
1.00
63.87
O

ATOM
6042
O
HOH
W
31
7.652
11.358
75.806
1.00
53.92
O

ATOM
6043
O
HOH
W
32
6.556
10.826
71.956
1.00
74.08
O

ATOM
6044
O
HOH
W
33
−14.233
−1.751
24.770
1.00
69.95
O

ATOM
6045
O
HOH
W
34
3.350
6.328
57.665
1.00
58.46
O

ATOM
6046
O
HOH
W
35
31.584
21.271
72.228
1.00
38.42
O

ATOM
6047
O
HOH
W
36
20.657
12.579
62.054
1.00
43.11
O

ATOM
6048
O
HOH
W
37
4.191
−4.054
34.851
1.00
55.72
O

ATOM
6049
O
HOH
W
38
−13.052
15.736
27.252
1.00
37.23
O

ATOM
6050
O
HOH
W
39
15.951
17.137
37.678
1.00
59.72
O

ATOM
6051
O
HOH
W
40
−14.275
15.922
29.833
1.00
43.19
O

ATOM
6052
O
HOH
W
41
−17.908
5.337
28.050
1.00
41.70
O

ATOM
6053
O
HOH
W
42
−12.705
−2.370
8.462
1.00
49.15
O

ATOM
6054
O
HOH
W
43
−29.359
−8.785
23.861
1.00
43.19
O

ATOM
6055
O
HOH
W
44
28.896
21.126
77.151
1.00
50.62
O

ATOM
6056
O
HOH
W
45
11.427
14.341
55.968
1.00
62.24
O

ATOM
6057
O
HOH
W
46
20.251
3.822
77.261
1.00
48.67
O

ATOM
6058
O
HOH
W
47
−30.314
5.963
13.821
1.00
49.27
O

ATOM
6059
O
HOH
W
48
−51.803
−2.21
10.857
1.00
47.47
O

ATOM
6060
O
HOH
W
49
−31.844
−12.539
26.306
1.00
45.34
O

ATOM
6061
O
HOH
W
50
−68.353
−6.161
−7.735
1.00
60.07
O

ATOM
6062
O
HOH
W
51
−54.737
10.048
4.904
1.00
45.82
O

ATOM
6063
O
HOH
W
52
−52.173
−0.071
8.680
1.00
36.96
O

ATOM
6064
O
HOH
W
53
−32.595
4.997
23.999
1.00
53.07
O

ATOM
6065
O
HOH
W
54
−5.855
16.652
26.524
1.00
31.36
O

ATOM
6066
O
HOH
W
55
−10.505
0.690
46.676
1.00
54.98
O

ATOM
6067
O
HOH
W
56
−3.235
12.080
19.043
1.00
47.60
O

ATOM
6068
O
HOH
W
57
−7.305
19.721
34.840
1.00
45.63
O

ATOM
6069
O
HOH
W
58
7.763
13.784
73.252
1.00
55.91
O

ATOM
6070
O
HOH
W
59
−38.358
8.569
20.849
1.00
42.85
O

ATOM
6071
O
HOH
W
60
−53.439
3.854
25.255
1.00
39.98
O

ATOM
6072
O
HOH
W
61
−4.023
−7.196
55.053
1.00
46.78
O

ATOM
6073
O
HOH
W
62
−19.305
−0.079
65.354
1.00
48.13
O

ATOM
6074
O
HOH
W
63
28.697
4.302
64.033
1.00
46.30
O

ATOM
6075
O
HOH
W
64
7.932
10.340
61.241
1.00
39.71
O

ATOM
6076
O
HOH
W
65
−24.250
7.794
22.734
1.00
39.79
O

ATOM
6077
O
HOH
W
66
−63.495
11.377
−6.444
1.00
44.40
O

ATOM
6078
O
HOH
W
67
−49.903
10.321
21.276
1.00
54.56
O

ATOM
6079
O
HOH
W
68
−6.575
2.413
53.073
1.00
61.73
O

ATOM
6080
O
HOH
W
69
−58.913
−0.583
18.487
1.00
46.38
O

ATOM
6081
O
HOH
W
70
−8.767
16.306
25.658
1.00
42.42
O

ATOM
6082
O
HOH
W
71
−38.316
7.012
4.502
1.00
45.57
O

ATOM
6083
O
HOH
W
72
−9.608
10.007
16.443
1.00
37.15
O

ATOM
6084
O
HOH
W
73
−46.557
2.743
39.007
1.00
50.81
O

ATOM
6085
O
HOH
W
74
13.854
11.879
76.597
1.00
38.68
O

ATOM
6086
O
HOH
W
75
−70.216
3.009
17.017
1.00
63.84
O

ATOM
6087
O
HOH
W
76
0.801
1.297
43.250
1.00
56.42
O

ATOM
6088
O
HOH
W
77
−54.036
−9.095
21.709
1.00
56.42
O

ATOM
6089
O
HOH
W
78
−4.194
−11.813
68.894
1.00
44.10
O

ATOM
6090
O
HOH
W
79
5.162
−0.908
38.110
1.00
37.40
O

ATOM
6091
O
HOH
W
80
22.633
4.143
47.318
1.00
59.56
O

ATOM
6092
O
HOH
W
81
−19.752
13.159
26.090
1.00
47.31
O

ATOM
6093
O
HOH
W
82
−17.529
−4.244
68.635
1.00
49.89
O

ATOM
6094
O
HOH
W
83
−4.994
4.745
41.410
1.00
52.36
O

ATOM
6095
O
HOH
W
84
−36.723
4.098
12.987
1.00
39.29
O

ATOM
6096
O
HOH
W
85
−1.963
−5.432
61.059
1.00
42.25
O

ATOM
6097
O
HOH
W
86
53.791
−0.857
68.564
1.00
61.34
O

ATOM
6098
O
HOH
W
87
−11.428
9.824
9.789
1.00
63.01
O

ATOM
6099
O
HOH
W
88
−25.667
−7.692
58.549
1.00
61.79
O

ATOM
6100
O
HOH
W
89
10.683
11.851
54.520
1.00
48.54
O

ATOM
6101
O
HOH
W
90
7.658
−3.114
35.352
1.00
40.74
O

ATOM
6102
O
HOH
W
91
7.062
−9.060
56.725
1.00
42.22
O

ATOM
6103
O
HOH
W
92
40.254
14.724
62.498
1.00
57.56
O

ATOM
6104
O
HOH
W
93
47.073
14.493
75.316
1.00
55.16
O

ATOM
6105
O
HOH
W
94
−6.837
−0.540
48.629
1.00
42.66
O

ATOM
6106
O
HOH
W
95
−0.491
−5.196
58.882
1.00
41.75
O

ATOM
6107
O
HOH
W
96
−50.225
−7.775
33.030
1.00
59.66
O

ATOM
6108
O
HOH
W
97
47.973
13.316
64.599
1.00
59.66
O

ATOM
6109
O
HOH
W
98
42.975
7.524
59.195
1.00
56.95
O

ATOM
6110
O
HOH
W
99
−15.105
19.278
21.238
1.00
55.46
O

ATOM
6111
O
HOH
W
100
33.587
10.496
56.006
1.00
58.51
O

ATOM
6112
O
HOH
W
101
−5.577
13.728
56.173
1.00
59.97
O

ATOM
6113
O
HOH
W
102
46.103
15.363
80.651
1.00
42.76
O

ATOM
6114
O
HOH
W
103
−9.888
22.807
19.500
1.00
59.25
O

ATOM
6115
O
HOH
W
104
−52.657
2.635
32.666
1.00
51.32
O

ATOM
6116
O
HOH
W
105
−1.010
2.802
19.751
1.00
58.19
O

ATOM
6117
O
HOH
W
106
14.028
16.044
54.468
1.00
54.91
O

ATOM
6118
O
HOH
W
107
8.920
7.177
42.548
1.00
60.97
O

ATOM
6119
O
HOH
W
108
−16.180
11.874
12.350
1.00
50.09
O

ATOM
6120
O
HOH
W
109
40.560
12.975
64.642
1.00
46.53
O

ATOM
6121
O
HOH
W
110
46.208
14.914
77.838
1.00
42.41
O

ATOM
6122
O
HOH
W
111
4.262
5.121
27.418
1.00
51.20
O

ATOM
6123
O
HOH
W
112
−22.324
5.242
24.780
1.00
46.21
O

ATOM
6124
O
HOH
W
113
47.502
20.870
82.958
1.00
58.84
O

ATOM
6125
O
HOH
W
114
−15.610
23.149
24.928
1.00
65.26
O

ATOM
6126
O
HOH
W
115
−8.106
−4.516
12.532
1.00
60.90
O

ATOM
6127
O
HOH
W
116
30.362
20.814
65.291
1.00
45.53
O

ATOM
6128
O
HOH
W
117
8.372
3.534
67.595
1.00
40.01
O

ATOM
6129
O
HOH
W
118
12.248
17.381
61.359
1.00
47.33
O

ATOM
6130
O
HOH
W
119
−61.741
16.108
7.788
1.00
47.48
O

ATOM
6131
O
HOH
W
120
−13.004
14.272
62.476
1.00
65.34
O

ATOM
6132
O
HOH
W
121
−34.544
7.046
18.572
1.00
38.78
O

ATOM
6133
O
HOH
W
122
−55.779
−2.575
15.236
1.00
43.88
O

ATOM
6134
O
HOH
W
123
−8.243
16.780
21.598
1.00
40.43
O

ATOM
6135
O
HOH
W
124
−12.966
−6.269
53.309
1.00
50.84
O

ATOM
6136
O
HOH
W
125
−10.483
22.752
25.617
1.00
49.66
O

ATOM
6137
O
HOH
W
126
5.210
7.453
62.909
1.00
48.61
O

ATOM
6138
O
HOH
W
127
−2.454
−10.572
63.242
1.00
53.17
O

ATOM
6139
O
HOH
W
128
−5.113
−0.038
73.500
1.00
53.90
O

ATOM
6140
O
HOH
W
129
−41.549
−0.265
8.153
1.00
46.70
O

ATOM
6141
O
HOH
W
130
−44.649
12.269
6.308
1.00
38.48
O

ATOM
6142
O
HOH
W
131
7.550
5.574
44.580
1.00
59.15
O

ATOM
6143
O
HOH
W
132
37.573
24.292
82.060
1.00
70.23
O

ATOM
6144
O
HOH
W
133
2.715
−3.378
59.487
1.00
57.23
O

ATOM
6145
O
HOH
W
134
49.771
−4.017
73.375
1.00
59.05
O

ATOM
6146
O
HOH
W
135
16.600
11.173
42.200
1.00
49.70
O

ATOM
6147
O
HOH
W
136
−44.308
−6.366
10.961
1.00
42.11
O

ATOM
6148
O
HOH
W
137
2.667
11.836
26.234
1.00
46.51
O

ATOM
6149
O
HOH
W
138
16.223
14.617
48.000
1.00
56.05
O

ATOM
6150
O
HOH
W
139
37.044
−5.429
71.106
1.00
63.29
O

ATOM
6151
O
HOH
W
140
−8.114
2.334
35.643
1.00
35.94
O

ATOM
6152
O
HOH
W
141
23.191
−5.045
54.900
1.00
55.77
O

ATOM
6153
O
HOH
W
142
−51.552
9.537
4.065
1.00
39.59
O

ATOM
6154
O
HOH
W
143
−54.118
5.925
3.632
1.00
47.02
O

ATOM
6155
O
HOH
W
144
23.695
8.296
40.047
1.00
46.81
O

ATOM
6156
O
HOH
W
145
−32.824
−8.697
38.939
1.00
58.59
O

ATOM
6157
O
HOH
W
146
−17.096
−4.116
27.680
1.00
62.14
O

ATOM
6158
O
HOH
W
147
−51.335
11.506
6.300
1.00
36.20
O

ATOM
6159
O
HOH
W
148
24.878
2.142
68.070
1.00
51.40
O

ATOM
6160
O
HOH
W
149
−11.337
3.580
52.990
1.00
49.90
O

ATOM
6161
O
HOH
W
150
−3.530
−0.885
51.174
1.00
62.00
O

ATOM
6162
O
HOH
W
151
37.287
15.251
72.953
1.00
33.85
O

ATOM
6163
O
HOH
W
152
4.457
3.022
39.368
1.00
37.87
O

ATOM
6164
O
HOH
W
153
−20.987
−4.460
67.129
1.00
65.75
O

ATOM
6165
O
HOH
W
154
−48.360
3.585
3.288
1.00
39.85
O

ATOM
6166
O
HOH
W
155
−10.920
−0.462
35.135
1.00
52.07
O

ATOM
6167
O
HOH
W
156
11.788
−3.135
59.137
1.00
48.40
O

ATOM
6168
O
HOH
W
157
−49.753
−5.418
32.216
1.00
41.28
O

ATOM
6169
O
HOH
W
158
54.729
4.697
1.479
1.00
54.31
O

ATOM
6170
O
HOH
W
159
6.879
3.016
35.472
1.00
42.86
O

ATOM
6171
O
HOH
W
160
33.298
14.571
72.095
1.00
58.88
O

ATOM
6172
O
HOH
W
161
41.249
18.427
63.260
1.00
54.69
O

ATOM
6173
O
HOH
W
162
47.399
18.938
79.018
1.00
55.42
O

ATOM
6174
O
HOH
W
163
38.114
14.55
56.160
1.00
67.26
O

ATOM
6175
O
HOH
W
164
−12.201
−13.229
68.504
1.00
57.18
O

ATOM
6176
O
HOH
W
165
−4.472
3.460
38.764
1.00
50.15
O

ATOM
6177
O
HOH
W
166
24.622
8.189
77.968
1.00
54.21
O

ATOM
6178
O
HOH
W
167
−2.456
15.388
23.450
1.00
38.58
O

ATOM
6179
O
HOH
W
168
−28.829
−6.491
23.424
1.00
60.16
O

ATOM
6180
O
HOH
W
169
−4.716
14.778
20.756
1.00
58.41
O

ATOM
6181
O
HOH
W
170
−28.533
−1.430
36.129
1.00
48.87
O

ATOM
6182
O
HOH
W
171
51.138
10.772
68.228
1.00
65.98
O

ATOM
6183
O
HOH
W
172
27.473
0.689
57.998
1.00
59.26
O

ATOM
6184
O
HOH
W
173
−36.058
1.629
11.106
1.00
48.89
O

ATOM
6185
O
HOH
W
174
40.382
−0.790
70.690
1.00
60.04
O

ATOM
6186
O
HOH
W
175
23.511
11.615
55.994
1.00
58.28
O

ATOM
6187
O
HOH
W
176
−27.893
−8.727
43.417
1.00
64.51
O

ATOM
6188
O
HOH
W
177
−25.818
5.196
41.304
1.00
57.75
O

ATOM
6189
O
HOH
W
178
14.904
−4.333
30.202
1.00
55.03
O

ATOM
6190
O
HOH
W
179
−76.708
15.409
6.925
1.00
62.92
O

ATOM
6191
O
HOH
W
180
−51.178
6.996
19.843
1.00
45.76
O

ATOM
6192
O
HOH
W
181
−43.066
−16.209
40.357
1.00
59.36
O

ATOM
6193
O
HOH
W
182
−18.246
20.266
24.873
1.00
56.40
O

ATOM
6194
O
HOH
W
183
−58.127
11.649
2.297
1.00
52.06
O

ATOM
6195
O
HOH
W
184
−43.529
−5.272
7.994
1.00
63.60
O

ATOM
6196
O
HOH
W
185
−54.623
7.080
−3.678
1.00
64.59
O

ATOM
6197
O
HOH
W
186
28.406
10.047
58.665
1.00
49.59
O

ATOM
6198
O
HOH
W
187
−33.728
4.825
10.295
1.00
57.73
O

ATOM
6199
O
HOH
W
188
45.194
10.596
89.089
1.00
55.86
O

ATOM
6200
O
HOH
W
189
49.422
−0.975
69.803
1.00
50.89
O

ATOM
6201
O
HOH
W
190
12.222
19.123
65.693
1.00
61.30
O

ATOM
6202
O
HOH
W
191
−14.619
−0.758
9.251
1.00
43.87
O

ATOM
6203
O
HOH
W
192
36.219
22.925
78.924
1.00
51.23
O

ATOM
6204
O
HOH
W
193
−46.533
10.567
28.651
1.00
50.19
O

ATOM
6205
O
HOH
W
194
−76.438
6.750
0.972
1.00
60.95
O

ATOM
6206
O
HOH
W
195
−11.710
8.498
40.315
1.00
68.08
O

ATOM
6207
O
HOH
W
196
23.362
1.563
46.099
1.00
43.66
O

ATOM
6208
O
HOH
W
197
−38.725
−2.507
11.281
1.00
52.23
O

ATOM
6209
O
HOH
W
198
−52.479
−8.958
44.427
1.00
53.82
O

ATOM
6210
O
HOH
W
199
4.868
9.316
20.974
1.00
55.37
O

ATOM
6211
O
HOH
W
200
27.394
3.846
47.878
1.00
56.95
O

ATOM
6212
O
HOH
W
201
−37.336
−11.895
52.095
1.00
61.10
O

ATOM
6213
O
HOH
W
202
−11.138
−10.783
68.300
1.00
51.55
O

ATOM
6214
O
HOH
W
203
39.808
13.693
92.054
1.00
52.22
O

ATOM
6215
O
HOH
W
204
−50.604
14.875
11.049
1.00
47.71
O

ATOM
6216
O
HOH
W
205
−42.021
3.419
4.323
1.00
36.15
O

ATOM
6217
O
HOH
W
206
−10.857
16.104
20.648
1.00
39.22
O

ATOM
6218
O
HOH
W
207
−15.039
−2.968
2.476
1.00
67.99
O

ATOM
6219
O
HOH
W
208
−34.954
2.819
4.764
1.00
57.86
O

ATOM
6220
O
HOH
W
209
−61.818
3.799
22.967
1.00
55.88
O

ATOM
6221
O
HOH
W
210
−43.504
15.933
20.824
1.00
59.71
O

ATOM
6222
O
HOH
W
211
−72.820
−11.999
4.970
1.00
58.71
O

ATOM
6223
O
HOH
W
212
−9.021
3.248
49.077
1.00
61.19
O

ATOM
6224
O
HOH
W
213
−71.648
−3.000
20.745
1.00
70.27
O

ATOM
6225
O
HOH
W
214
25.776
10.185
56.254
1.00
56.02
O

ATOM
6226
O
HOH
W
215
−55.896
11.746
0.060
1.00
66.45
O

ATOM
6227
O
HOH
W
216
−73.036
−5.374
22.820
1.00
68.23
O

ATOM
6228
O
HOH
W
217
−28.563
1.809
33.654
1.00
64.75
O

ATOM
6229
O
HOH
W
218
42.658
9.737
57.756
1.00
64.44
O

ATOM
6230
O
HOH
W
219
−58.131
−3.652
8.717
1.00
48.34
O

ATOM
6231
O
HOH
W
220
−17.348
5.572
34.109
1.00
55.12
O

ATOM
6232
O
HOH
W
221
−4.780
−15.030
71.597
1.00
63.65
O

ATOM
6233
O
HOH
W
222
−14.718
−11.096
41.952
1.00
66.17
O

ATOM
6234
O
HOH
W
223
−49.678
−3.835
15.521
1.00
58.21
O

ATOM
6235
O
HOH
W
224
−21.987
1.741
26.766
1.00
63.98
O

ATOM
6236
O
HOH
W
225
−11.261
10.696
73.552
1.00
63.71
O

ATOM
6237
O
HOH
W
226
−17.246
15.779
22.439
1.00
50.54
O

ATOM
6238
O
HOH
W
227
−20.989
−2.826
28.157
1.00
68.70
O

ATOM
6239
O
HOH
W
228
−40.465
17.719
6.735
1.00
57.61
O

ATOM
6240
O
HOH
W
229
−17.203
6.101
37.478
1.00
68.83
O

ATOM
6241
O
HOH
W
230
26.371
13.747
81.067
1.00
51.51
O

ATOM
6242
O
HOH
W
231
−20.145
7.663
30.810
1.00
65.17
O

ATOM
6243
O
HOH
W
232
−41.086
15.969
16.883
1.00
51.10
O

ATOM
6244
O
HOH
W
233
−35.526
11.732
13.365
1.00
51.83
O

ATOM
6245
O
HOH
W
234
−34.643
−3.851
44.163
1.00
58.92
O

ATOM
6246
O
HOH
W
235
−42.001
−17.097
52.481
1.00
69.56
O

ATOM
6247
O
HOH
W
236
10.136
−9.671
44.981
1.00
60.86
O

ATOM
6248
O
HOH
W
237
23.784
−4.824
63.327
1.00
59.63
O

ATOM
6249
O
HOH
W
238
12.368
14.380
36.712
1.00
69.40
O

ATOM
6250
O
HOH
W
239
33.051
14.011
62.291
1.00
38.89
O

ATOM
6251
O
HOH
W
240
−50.562
−8.588
47.923
1.00
58.78
O

ATOM
6252
O
HOH
W
241
−13.893
9.889
39.916
1.00
58.04
O

ATOM
6253
O
HOH
W
242
−29.250
8.127
18.289
1.00
53.27
O

ATOM
6254
O
HOH
W
243
19.922
−5.211
28.964
1.00
53.44
O

ATOM
6255
O
HOH
W
244
23.616
−3.632
26.615
1.00
48.58
O

ATOM
6256
O
HOH
W
245
−22.987
0.285
18.065
1.00
56.93
O

ATOM
6257
O
HOH
W
246
−30.022
2.824
14.706
1.00
58.13
O

ATOM
6258
O
HOH
W
247
−2.107
4.429
44.195
1.00
67.13
O

ATOM
6259
O
HOH
W
248
−13.070
−0.700
32.583
1.00
44.92
O

END

TABLE 11

HEADER
----
XX-XXX-XX XXXX

COMPND
---

REMARK
3

REMARK
3
REFINEMENT.

REMARK
3
PROGRAM: REFMAC 5.2.0019

REMARK
3
AUTHORS: MURSHUDOV. VAGIN, DODSON

REMARK
3

REMARK
3
REFINEMENT TARGET: MAXIMUM LIKELIHOOD

REMARK
3

REMARK
3
DATA USED IN REFINEMENT

REMARK
3
RESOLUTION RANGE HIGH (ANGSTROMS): 2.70

REMARK
3
REGOLUTION RANGE LOW (ANGSTROMS): 40.00

REMARK
3
DATA CUTOFF (SIGMA(F)): NONE

REMARK
3
COMPLETENESS FOR RANGE (%): 99.49

REMARK
3
NUMBER OF REFLECTIONS: 22957

REMARK
3

REMARK
3
FIT TO DATA USED IN REFINEMENT.

REMARK
3
CROSS-VALIDATION METHOD: THROUGHOUT

REMARK
3
FREE R VALUE TEST SET SELECTION: RANDOM

REMARK
3
R VALUE (WORKING + TEST SET): 0.20130

REMARK
3
R VALUE (WORKING SET): 0.19589

REMARK
3
FREE R VALUE: 0.26401

REMARK
3
FREE R VALUE TEST SET SIZE (%): 7.8

REMARK
3
FREE R VALUE TEST SET COUNT: 1942

REMARK
3

REMARK
3
FIT IN THE HIGHEST RESOLUTION BIN

REMARK
3
TOTAL NUMBER OF BINS USED: 20

REMARK
3
BIN RESOLUTION RANGE HIGH: 2.704

REMARK
3
BIN RESOLUTION RANGE LOW: 2.774

REMARK
3
REFLECTION IN BIN (WORKING SET): 1568

REMARK
3
BIN COMPLETENESS (WORKING + TEST) (%): 93.89

REMARK
3
BIN R VALUE (WORKING SET): 0.253

REMARK
3
BIN FREE R VALUE SET COUNT: 139

REMARK
3
BIN FREE R VALUE: 0.348

REMARK
3

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

REMARK
3
ALL ATOMS: 6074

REMARK
3

REMARK
3
B VALUES

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

REMARK
3
MEAN B VALUE (OVERALL. A**2): 55.593

REMARK
3
OVERALL ANISOTROPIC B VALUE.

REMARK
3
B11 (A**2):
−1.63

REMARK
3
B22 (A**2):
3.94

REMARK
3
B33 (A**2):
−2.37

REMARK
3
B12 (A**2):
0.00

REMARK
3
B13 (A**2):
−1.91

REMARK
3
B23 (A**2):
0.00

REMARK
3

REMARK
3
ESTIMATED OVERALL COORDINATE ERROR.

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

REMARK
3
ESU BASED ON FREE R VALUE (A): 0:378

REMARK
3
ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.275

REMARK
3
ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 28.731

REMARK
3

REMARK
3
CORRELATION COEFFICIENTS.

REMARK
3
CORRELATION COEFFICIENT FO-FC: 0.946

REMARK
3
CORRELATION COEFFICIENT FO-FC FREE: 0.905

REMARK
3

REMARK
3
RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK
3
BOND LENGTHS REFINED ATOMS (A): 6125: 0.022: 0.022

REMARK
3
BOND ANGLES REFINED ATOMS (DEGREES): 8250: 2.148: 1.967

REMARK
3
TORSION ANGLES. PERIOD 1 (DEGREES): 760: 8.426: 5.000

REMARK
3
TORSION ANGLES. PERIOD 2 (DEGREES): 259: 37.838: 24.440

REMARK
3
TORSION ANGLES. PERIOD 3 (DEGREES): 1135: 22.704: 15.000

REMARK
3
TORSION ANGLES, PERIOD 4 (DEGREES): 34: 19.359: 15.000

REMARK
3
CHIRAL-CENTER RESTRAINTS (A**3): 926: 0.134: 0.200

REMARK
3
GENERAL PLANES REFINED ATOMS (A): 4504: 0.007: 0.020

REMARK
3
NON-BONDED CONTACTS REFINED ATOMS (A): 2664: 0.268: 0.200

REMARK
3
NON-BONDED TORSION REFINED ATOMS (A): 4090: 0.331: 0.200

REMARK
3
H-BOND (X . . .Y) REFINED ATOMS (A): 243: 0 189: 0.200

REMARK
3
SYMMETRY VDW REFINED ATOMS (A): 69: 0.274: 0.200

REMARK
3
SYMMETRY H-BOND REFINED ATOMS (A): 8: 0.155: 0.200

REMARK
3

REMARK
3
ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK
3
MAIN-CHAIN BOND REFINED ATOMS (A**2): 3896: 1.252: 1.500

REMARK
3
MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 6168: 1.865: 2.000

REMARK
3
SIDE-CHAIN BOND REFINED ATOMS (A**2): 2498: 2:866: 3.000

REMARK
3
SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 2082: 4.375: 4.550

REMARK
3

REMARK
3
NCS RESTRAINTS STATISTICS

REMARK
3
NUMBER OF NCS GROUPS : NULL

REMARK
3

REMARK
3

REMARK
3
TLS DETAILS

REMARK
3
NUMBER OF TLS GROUPS: 4

REMARK
3
ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY

REMARK
3

REMARK
3
TLS GROUP: 1

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS C SSSEQI TO C SSSEQI

REMARK
3
RESIDUE RANGE : A 7 A 298

REMARK
3
ORIGIN FOR THE GROUP (A): 10.8635 −3.8251 41.4633

REMARK
3
T TENSOR

REMARK
3
T11:
0.0355
T22:
0.0077

REMARK
3
T33:
−0.0196
T12:
0.0766

REMARK
3
T13:
0.0353
T23:
−0.0359

REMARK
3
L TENSOR

REMARK
3
L11:
1.3745
L22:
0.1970

REMARK
3
L33:
1.6361
L12:
−0.3932

REMARK
3
L13:
1.4967
L23:
−0.4512

REMARK
3
S TENSOR

REMARK
3
S11:
−0.1291
S12:
−0.1393
S13:
0.0051

REMARK
3
S21:
0.0486
S22:
0.0761
S23:
−0.0456

REMARK
3
S31:
0.1720
S32:
0.0707
S33:
0.0530

REMARK
3

REMARK
3
TLS GROUP: 2

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS C SSSEQI TO C SSSEQI

REMARK
3
RESIDUE RANGE: B 1 B 105

REMARK
3
ORIGIN FOR THE GROUP (A): −27.8363 −1.6952 6.4891

REMARK
3
T TENSOR

REMARK
3
T11:
−0 1467
T22:
0.0588

REMARK
3
T33:
−0.0493
T12:
0.0086

REMARK
3
T13:
−0.0224
T23:
0.0007

REMARK
3
L TENSOR

REMARK
3
L11:
3.8654
L22:
1.5744

REMARK
3
L33:
3.4605
L12:
0.1427

REMARK
3
L13:
1.8856
L23:
0.0410

REMARK
3
S TENSOR

REMARK
3
S11:
0.2820
S12:
−0.0791
S13:
−0.5409

REMARK
3
S21:
0.0235
S22:
−0.0300
S23:
0.6027

REMARK
3
S31:
0.2906
S32:
−0.6732
S33:
−0.2520

REMARK
3

REMARK
3
TLS GROUP: 3

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS C SSSEQI TO C SSSEQI

REMARK
3
RESIDUE RANGE: C 8 C 299

REMARK
3
ORIGIN FOR THE GROUP (A): 41.5119 1.9937 39.1443

REMARK
5
T TENSOR

REMARK
3
T11:
−0.1103
T22:
−0.0627

REMARK
3
T33:
−0.0482
T12:
−0.0175

REMARK
3
T13:
0.0258
T23:
−0.0014

REMARK
3
L TENSOR

REMARK
3
L11:
1.1742
L22:
0.3796

REMARK
3
L33:
1.6991
L12:
−0.0203

REMARK
3
L13:
1.1790
L23:
−0.0245

REMARK
3
S TENSOR

REMARK
3
S11:
0.0059
S12:
0.0063
S13:
−0.0837

REMARK
3
S21:
−0.0027
S22:
0.0025
S23:
0.0418

REMARK
3
S31:
0.0416
S32:
−0.0839
S33:
−0.0084

REMARK
3

REMARK
3
TLS GROUP: 4

REMARK
3
NUMBER OF COMPONENTS GROUP: 1

REMARK
3
COMPONENTS C SSSEQI TO C SSSEQI

REMARK
3
RESIDUE RANGE: D 1 D 105

REMARK
3
ORIGIN FOR THE GROUP (A): 79.4923 6.3122 74.6094

REMARK
3
T TENSOR

REMARK
3
T11:
−0.1313
T22:
−0.1975

REMARK
3
T33:
0.1389
T12:
0 0102

REMARK
3
T13:
−0.1147
T23:
0.0346

REMARK
3
L TENSOR

REMARK
3
L11:
3.6496
L22:
3.6691

REMARK
3
L33:
3.1340
L12:
0.3087

REMARK
3
L13:
−0.2725
L23:
−0.0221

REMARK
3
S TENSOR

REMARK
3
S11:
0.1266
S12:
0.1999
S13:
−0.2359

REMARK
3
S21:
0.1508
S22:
−0.0870
S23:
−0.2931

REMARK
3
S31:
0:1397
S32:
0.3250
S33:
−0 0397

REMARK
3

REMARK
3

REMARK
3
BULK SOLVENT MODELLING.

REMARK
3
METHOD USED: MASK

REMARK
3
PARAMETERS FOR MASK CALCULATION

REMARK
3
VDW PROBE RADIUS: 1.20

REMARK
3
ION PROBE RADIUS: 0.80

REMARK
3
SHRINKAGE RADIUS: 0.80

REMARK
3

REMARK
3
OTHER REFINEMENT REMARKS: NULL

REMARK
3

SSSBOND
1
CYS A
63
CYS A
190

SSBOND
2
CYS C
63
CYS C
190

SSOND
3
CYS C
247
CYS D
32

LINK

VAL A
145
ASP A
155
gap

CISPEP
1
GLN A
226
THR A
227
0.00

LINK

ARG A
261
ASN A
268
gap

CISPEP
2
MET B
74
PRO B
75
0.00

LINK

LEU C
148
PRO C
154
gap

CISPEP
3
ASN C
224
GLY C
225
0.00

LINK

GLN C
258
LEU C
265
gap

LINK

ILE A
260
ASN A
268
gap

CISPEP
4
MET D
74
PRO D
75
0.00

CRYST1

79.826
64.990
88.416
90.00
90.88
90.00
P 1 21 1

SCALE1

0.012527
0.000000
0.000192
0.00000

SCALE2

0.000000
0.015387
0.000000
0.00000

SCALE3

0.000000
0.000000
0.011312
0.00000

ATOM
1
N
ILE A
7
29.005
−11.559
73.910
1.00
54.24
N

ATOM
2
CA
ILE A
7
29.311
−10.223
73.301
1.00
53.88
C

ATOM
3
CB
ILE A
7
28.895
−10.129
71.823
1.00
53.42
C

ATOM
4
CG1
ILE A
7
29.763
−11.010
70.939
1.00
51.90
C

ATOM
5
CD1
ILE A
7
31.179
−10.517
70.774
1.00
50.66
C

ATOM
6
CG2
ILE A
7
29.039
−8.710
71.335
1.00
53.67
O

ATOM
7
C
ILE A
7
28.456
−9.244
74.025
1.00
53.93
C

ATOM
8
O
ILE A
7
27.313
−9.533
74.280
1.00
53.98
O

ATOM
9
N
LYS A
8
29.010
−8.075
74.312
1.00
54.59
N

ATOM
10
CA
LYS A
8
28.400
−7.083
75.213
1.00
54.86
C

ATOM
11
CB
LYS A
8
29.473
−6.158
75.782
1.00
55.06
C

ATOM
12
CG
LYS A
8
29.041
−5.333
76.934
1.00
56.50
C

ATOM
13
CD
LYS A
8
30.125
−4.325
77.304
1.00
58.63
C

ATOM
14
CE
LYS A
8
29.528
−3.212
78.158
1.00
57.43
C

ATOM
15
NZ
LYS A
8
29.573
−1.968
77.352
1.00
57.30
N

ATOM
16
C
LYS A
8
27.358
−6.211
74.551
1.00
54.83
C

ATOM
17
O
LYS A
8
26.444
−5.724
75.235
1.00
55.11
O

ATOM
18
N
SER A
9
27.529
−5.978
73.245
1.00
54.33
N

ATOM
19
CA
SER A
9
26.678
−5.075
72.451
1.00
53.56
C

ATOM
20
CB
SER A
9
26.708
−3.637
72.976
1.00
53.24
C

ATOM
21
CG
SER A
9
26.693
−2.738
71.878
1.00
53.32
O

ATOM
22
C
SER A
9
27.099
−5.049
70.981
1.00
53 75
C

ATOM
23
C
SER A
9
28.275
−4.818
70.674
1.00
54.14
O

ATOM
24
N
PHE A
10
26.107
−5.234
70.099
1.00
53.55
N

ATOM
25
CA
PHE A
10
26.254
−5.286
68.648
1.00
52.88
C

ATOM
26
CB
PHE A
10
26.227
−6.758
68.236
1.00
52 84
C

ATOM
27
CG
PHE A
10
26.580
−6.991
68.816
1.00
49.89
C

ATOM
28
CD1
PHE A
10
27.624
−6.325
66.237
1.00
46.97
C

ATOM
29
CE1
PHE A
10
27.952
−6.542
64.946
1.00
47.71
C

ATOM
30
CZ
PHE A
10
27.250
−7.436
64.185
1.00
46.90
C

ATOM
31
CE2
PHE A
10
26.235
−8.121
64.746
1.00
49.27
O

ATOM
32
CD2
PHE A
10
25.887
−7.892
66.074
1.00
49.44
C

ATOM
33
C
PHE A
10
25.088
−4.568
67.971
1.00
53.36
C

ATOM
34
C
PHE A
10
23.977
−5.117
67.894
1.00
53.21
O

ATOM
35
N
GLU A
11
25.296
−3.346
67.486
1.00
53.35
N

ATOM
36
CA
GLU A
11
24.127
−2.576
67.024
1.00
53.81
C

ATOM
37
CB
GLU A
11
23.632
−1.592
68.116
1.00
53.97
C

ATOM
38
CG
GLU A
11
23.187
−2.256
69.456
1.00
56.51
C

ATOM
39
CD
GLU A
11
21.869
−3.051
69.340
1.00
58.19
C

ATOM
40
OE1
GLU A
11
20.986
−2.629
68.566
1.00
59.05
O

ATOM
41
OE2
GLU A
11
21.710
−4.099
70.012
1.00
58.41
O

ATOM
42
C
GLU A
11
24.331
−1.848
65.701
1.00
53.47
C

ATOM
43
C
GLU A
11
25.452
−1.467
65.856
1.00
53.30
O

ATOM
44
N
VAL A
12
23.234
−1.648
64.974
1.00
53.12
N

ATOM
45
CA
VALA
12
23.268
−0.924
63.734
1.00
52.63
C

ATOM
46
CB
VAL A
12
22.400
−1.645
62.665
1.00
53.26
C

ATOM
47
CG1
VAL A
12
22.041
−0.733
61.403
1.00
52.49
C

ATOM
48
CG2
VAL A
12
23.053
−2.987
62.231
1.00
51.76
C

ATOM
49
C
VAL A
12
22.714
0.425
64.073
1.00
53.22
C

ATOM
50
O
VAL A
12
21.613
0.507
64.576
1.00
53.73
O

ATOM
51
N
VAL A
13
23.461
1.498
63.844
1.00
53.51
N

ATOM
52
CA
VAL A
13
22.901
2.810
64.157
1.00
54.21
C

ATOM
53
CB
VAL A
13
23.462
3.349
65.448
1.00
54.93
C

ATOM
54
CG1
VAL A
13
22.466
4.386
66.129
1.00
54.06
C

ATOM
55
CG2
VAL A
13
23.786
2.175
66.367
1.00
55.93
C

ATOM
56
C
VAL A
13
23.071
3.837
63.048
1.00
54.38
C

ATOM
57
O
VAL A
13
24.190
4.048
62.539
1.00
54.66
O

ATOM
58
N
PHE A
14
21.945
4.461
62.676
1.00
53.88
N

ATOM
59
CA
PHF A
14
21.911
5.330
61.505
1.00
53.25
C

ATOM
60
CB
PHE A
14
20.541
5.318
60.801
1.00
53.25
C

ATOM
61
CG
PHE A
14
20.123
3.959
60.274
1.00
51.25
C

ATOM
62
CD1
PHE A
14
20.616
3.481
59.073
1.00
50.92
C

ATOM
63
CE1
PHE A
14
20.248
2.222
58.589
1.00
51.17
C

ATOM
64
CZ
PHE A
14
19.352
1.428
59.302
1.00
51.95
C

ATOM
65
CE2
PHE A
14
18.829
1.905
60.512
1.00
51.68
C

ATOM
66
CD2
PHE A
14
19.231
3.164
60.989
1.00
51.06
C

ATOM
67
C
PHE A
14
22.214
6.678
62.031
1.00
53.27
C

ATOM
68
O
PHE A
14
21.925
6.950
63.185
1.00
53.72
O

ATOM
69
N
ASN A
15
22.784
7.531
61.196
1.00
53.56
N

ATOM
70
CA
ASN A
15
23.081
8.893
61.631
1.00
53.80
C

ATOM
71
CB
ASN A
15
23.923
9.564
60.588
1.00
52.82
C

ATOM
72
CG
ASN A
15
25.106
8.704
60.239
1.00
50.93
C

ATOM
73
OD1
ASN A
15
25.569
8.000
61.145
1.00
45.58
O

ATOM
74
ND2
ASN A
15
25.477
8.680
58.937
1.00
49.17
N

ATOM
75
C
ASN A
15
21.919
9.746
62.070
1.00
54.44
C

ATOM
76
O
ASN A
15
22.045
10.441
63.063
1.00
55.06
O

ATOM
77
N
ASP A
16
20.810
9.683
61.340
1.00
55.53
N

ATOM
78
CA
ASP A
16
19.526
10.175
61.830
1.00
57.30
C

ATOM
79
CB
ASP A
16
18.826
11.116
60.824
1.00
57.94
C

ATOM
80
CG
ASP A
16
17.414
11.608
61.310
1.00
58.66
C

ATOM
81
OD1
ASP A
16
16.827
11.072
62.297
1.00
60.79
O

ATOM
82
OD2
ASP A
16
16.877
12.545
60.671
1.00
58.42
C

ATOM
83
C
ASP A
16
18.643
8.974
62.109
1.00
58.00
C

ATOM
84
O
ASP A
16
17.982
8.465
61.194
1.00
57.51
O

ATOM
85
N
PRO A
17
18.634
8.519
63.379
1.00
59.10
N

ATOM
86
CA
PRO A
17
17.874
7.329
63.787
1.00
59.49
C

ATOM
87
CB
PRO A
17
18.249
7.175
65.279
1.00
59.82
C

ATOM
88
CG
PRO A
17
19.628
7.897
65.401
1.00
59.44
C

ATOM
89
CD
PRO A
17
19.390
9.101
64.516
1.00
59.19
C

ATOM
90
C
PRO A
17
16.359
7.479
63.585
1.00
59.88
C

ATOM
91
O
PRO A
17
15.631
6.471
63.529
1.00
60.31
O

ATOM
92
N
GLU A
18
15.903
8.722
63.430
1.00
60.15
N

ATOM
93
CA
GLU A
18
14.479
9.034
63.260
1.00
60 15
C

ATOM
94
CB
GLU A
18
14.078
10.223
64.167
1.00
60.23
C

ATOM
95
CG
GLU A
18
13.975
9.873
65.074
1.00
59.51
C

ATOM
96
CD
GLU A
18
12.565
10.080
66.254
1.00
58.28
C

ATOM
97
OE1
GLU A
18
11.603
10.288
65.463
1.00
57.70
O

ATOM
98
OE2
GLU A
18
12.415
10.016
67.503
1.00
56.59
O

ATOM
99
C
GLU A
18
14.034
9.276
61.793
1.00
60.42
C

ATOM
100
O
GLU A
18
12.859
9.621
61.533
1.00
60.73
O

ATOM
101
N
LYS A
19
14.958
9.077
60.848
1.00
60.29
N

ATOM
102
CA
LYS A
19
14.722
9.367
59.442
1.00
60.03
C

ATOM
103
CB
LYS A
19
16.028
9.646
58.721
1.00
60.05
C

ATOM
104
CG
LYS A
19
15.922
9.768
57.214
1.00
59.85
C

ATOM
105
CD
LYS A
19
15.495
11.173
56.722
1.00
51.40
C

ATOM
106
CE
LYS A
19
15.601
11.319
65.238
1.00
61.81
O

ATOM
107
NZ
LYS A
19
17.024
11.494
54.828
1.00
62.83
N

ATOM
108
C
LYS A
10
14.047
8.238
58.741
1.00
60.73
C

ATOM
109
O
LYS A
19
14.340
7.069
58.993
1.00
60.52
O

ATOM
110
N
VAL A
20
13.136
8.525
57.855
1.00
62.14
N

ATOM
111
CA
VAL A
20
12.550
7.773
56.835
1.00
53.14
C

ATOM
112
CB
VAL A
20
11.006
7.812
56.916
1.00
63.08
C

ATOM
113
CG1
VAL A
90
10.338
7.360
55.513
1.00
63.43
C

ATOM
114
CG2
VAL A
20
10.525
8.981
58.091
1.00
62.40
C

ATOM
115
C
VAL A
20
13.079
8.340
55.527
1.00
64.09
C

ATOM
116
O
VAL A
20
13.136
9.561
55.346
1.00
63.88
O

ATOM
117
N
TYR A
21
13.467
7.445
54.623
1.00
65.64
N

ATOM
118
CA
TYR A
21
14.332
7.817
53.503
1.00
67.22
C

ATOM
119
CB
TYR A
21
15.580
6.897
53.469
1.00
67.39
C

ATOM
120
CG
TYR A
21
16.407
6.823
54.766
1.00
67.24
C

ATOM
121
CD1
TYR A
21
17.689
7.373
54.837
1.00
66.14
C

ATOM
122
CE1
TYR A
21
18.442
7.285
56.005
1.00
67.24
C

ATOM
123
CZ
TYR A
21
17.917
6.640
57.124
1.00
68.74
C

ATOM
124
OH
TYR A
21
18.630
6.568
58.299
1.00
69.30
O

ATOM
125
CE2
TYR A
21
16.661
6.060
57.075
1.00
69.83
C

ATOM
126
CD2
TYR A
21
15.916
6.146
55.897
1.00
69.28
C

ATOM
127
C
TYR A
21
13.619
7.844
52.130
1.00
67.98
C

ATOM
128
O
TYR A
21
12.544
7.219
51.954
1.00
67.26
O

ATOM
129
N
GLY A
22
14.230
8.561
51.170
1.00
69.08
N

ATOM
130
CA
GLY A
22
13.669
8.674
49.803
1.00
71.02
C

ATOM
131
C
GLY A
22
14.484
8.303
48.559
1.00
71.91
C

ATOM
132
O
GLY A
22
15.715
8.234
48.615
1.00
72.57
O

ATOM
133
N
SER A
23
13.780
8.090
47.435
1.00
72.56
N

ATOM
134
CA
SER A
23
14.358
7.594
46.168
1.00
73.49
C

ATOM
135
CB
SER A
23
13.322
7.646
45.028
1.00
73.30
C

ATOM
136
OG
SER A
23
13.938
7.523
43.748
1.00
74.01
O

ATOM
137
C
SER A
23
15.629
8.345
45.784
1.00
73.77
C

ATOM
138
O
SER A
23
15.693
9.574
45.901
1.00
74.23
O

ATOM
139
N
GLYA
24
16.649
7.601
45.363
1.00
74.18
N

ATOM
140
CA
GLY A
24
17.969
8.199
45.149
1.00
74.77
C

ATOM
141
C
GLY A
24
18.749
8.663
46.383
1.00
74.94
C

ATOM
142
O
GLY A
24
19.916
9.044
46.242
1.00
75.22
O

ATOM
143
N
GLU A
25
18.148
8.610
47.592
1.00
75.00
N

ATOM
144
CA
GLU A
25
18.825
9.106
48.821
1.00
74.77
O

ATOM
145
CB
GLU A
25
17.792
9.643
49.839
1.00
74.88
C

ATOM
145
CG
GLU A
25
18.432
10.279
51.069
1.00
77.41
C

ATOM
147
CD
GLU A
25
18.394
11.793
50.990
1.00
80.80
C

ATOM
148
OE1
GLU A
25
17.335
12.355
51.362
1.00
82.13
O

ATOM
149
OE2
GLU A
25
19.406
12.424
50.576
1.00
82.58
O

ATOM
150
C
GLU A
25
19.825
8.140
49.531
1.00
73.94
C

ATOM
151
O
GLU A
25
19.799
6.901
49.328
1.00
73.62
O

ATOM
152
N
ARG A
25
20.663
8.735
50.391
1.00
72.53
N

ATOM
153
CA
ARG A
26
21.857
8.091
50.943
1.00
71.72
C

ATOM
154
CB
ARG A
26
23.066
8.997
50.640
1.00
72.41
C

ATOM
155
CG
ARG A
26
24.286
8.911
51.566
1.00
75.08
C

ATOM
156
CD
ARG A
26
25.080
7.655
51.296
1.00
81.96
C

ATOM
157
NE
ARG A
26
26.101
7.810
50.242
1.00
85.66
N

ATOM
158
CZ
ARG A
26
27.191
7.037
50.123
1.00
86.75
C

ATOM
159
NH1
ARG A
26
27.424
6.050
50.992
1.00
86.90
N

ATOM
160
NH2
ARG A
26
28.057
7.251
49.133
1.00
87.35
N

ATOM
161
C
ARG A
26
21.777
7.681
52.437
1.00
70.11
C

ATOM
162
O
ARG A
26
21.898
8.521
53.324
1.00
69.54
O

ATOM
163
N
VAL A
27
21.598
6.378
52.684
1.00
68.60
N

ATOM
164
CA
VAL A
27
25.530
5.784
54.035
1.00
66.93
C

ATOM
165
CB
VAL A
27
20.753
4.473
54.023
1.00
66.96
C

ATOM
166
CG1
VAL A
27
20.346
4.098
55.467
1.00
66.57
C

ATOM
167
CG2
VAL A
27
19.556
4.548
53.089
1.00
66.64
C

ATOM
168
C
VAL A
27
22.901
5.400
54.614
1.00
65.96
C

ATOM
169
O
VAL A
27
23.612
4.574
54.019
1.00
66.75
O

ATOM
170
N
ALA A
28
23.244
5.937
55.788
1.00
63.80
N

ATOM
171
CA
ALA A
28
24.592
5.784
56.368
1.00
62.20
C

ATOM
172
CB
ALA A
28
25.546
6.894
55.882
1.00
61.81
C

ATOM
173
C
ALA A
28
24.593
5.744
57.888
1.00
61.17
C

ATOM
174
O
ALA A
28
23.616
6.141
58.555
1.00
61.37
O

ATOM
175
N
GLY A
29
25.712
5.279
58.437
1.00
59.85
N

ATOM
176
CA
GLY A
29
25.866
5.211
59.886
1.00
57.23
C

ATOM
177
C
GLY A
29
26.892
4.194
60.290
1.00
55.33
C

ATOM
178
O
GLY A
29
27.964
4.079
59.699
1.00
55.52
O

ATOM
179
N
ARG A
30
26.594
3.428
61.305
1.00
53.60
N

ATOM
180
CA
ARG A
30
27.611
2.495
61.683
1.00
52.99
C

ATOM
181
CB
ARG A
30
28.772
3.207
62.357
1.00
52.94
C

ATOM
182
CG
ARG A
30
28.371
3.995
63.520
1.00
54.25
C

ATOM
183
CD
ARG A
30
29.212
5.278
63.707
1.00
50.31
C

AT OM
184
NE
ARG A
30
28.750
5.892
64.954
1.00
59.23
N

ATOM
185
CZ
ARG A
30
27.505
6.349
65.133
1.00
61.58
C

ATOM
186
NH1
ARG A
30
26.610
6.276
64.120
1.00
62.69
N

ATOM
187
NH2
ARG A
30
27.148
6.872
66.313
1.00
58.57
N

ATOM
188
C
ARG A
30
27.141
1.321
62.490
1.00
52.11
C

ATOM
189
O
ARG A
30
26.045
1.297
63.052
1.00
52.92
O

ATOM
190
N
VAL A
31
27.971
0.308
62.472
1.00
50.65
N

ATOM
191
CA
VAL A
31
27.750
−0.845
63.266
1.00
49.32
C

ATOM
192
CB
VAL A
31
28.106
−2.039
52.444
1.00
49.32
C

ATOM
193
CG1
VAL A
31
27.961
−3.327
63.259
1.00
48.33
C

ATOM
194
CG2
VAL A
31
27.259
−2.032
61.183
1.00
48.18
C

ATOM
195
C
VAL A
31
28.716
−0.675
64.432
1.00
48.96
C

ATOM
196
O
VAL A
31
29.897
−0.315
64.249
1.00
49.54
O

ATOM
197
N
ILE A
32
28.227
−0.885
65.636
1.00
47.99
N

ATOM
198
CA
ILE A
32
29.069
−0.639
66.774
1.00
47.85
C

ATOM
199
CB
ILE A
32
28.591
0.607
67.557
1.00
46.95
C

ATOM
200
CG1
ILE A
32
28.650
1.822
66.661
1.00
45.98
C

ATOM
201
CD1
ILE A
32
27.558
2.767
66.984
1.00
46.32
C

ATOM
202
CG2
ILE A
32
29.577
1.014
68.611
1.00
45.60
C

ATOM
203
C
ILE A
32
29.101
−1.908
67.606
1.00
48.58
C

ATOM
204
O
ILE A
32
28.057
−2.544
67.840
1.00
48.54
O

ATOM
205
N
VAL A
33
30.325
−2.272
68.005
1.00
49.82
N

ATOM
206
CA
VAL A
33
30.640
−3.521
68.726
1.00
51.00
C

ATOM
207
CB
VAL A
33
31.407
−4.563
67.792
1.00
50.75
C

ATOM
208
CG1
VAL A
33
31.386
−5.967
68.345
1.00
48.30
C

ATOM
209
CG2
VAL A
33
30.790
−4.589
66.418
1.00
51.27
C

ATOM
210
C
VAL A
33
31.455
−3.194
69.991
1.00
51.91
C

ATOM
211
O
VAL A
33
32.427
−2.414
69.943
1.00
50.68
O

ATOM
212
N
GLU A
34
31.004
−3.792
71.097
1.00
54.17
N

ATOM
213
CA
GLU A
34
31.687
−3.822
72.405
1.00
57.44
C

ATOM
214
CB
GLU A
34
31.004
−2.887
73.405
1.00
57.39
C

ATOM
215
CG
GLU A
34
31.687
−1.399
73.279
1.00
61.75
C

ATOM
216
CD
GLU A
34
30.421
−0.457
74.057
1.00
67.03
C

ATOM
217
OE1
GLU A
34
29.632
−0.936
74.912
1.00
68.25
O

ATOM
218
OE2
GLU A
34
30.437
0.771
73.815
1.00
68.21
O

ATOM
219
C
GLU A
34
31.669
−5.259
72.972
1.00
58.41
C

ATOM
220
O
GLU A
34
30.628
−5.944
72.909
1.00
58.27
O

ATOM
221
N
VAL A
35
32.805
−5.724
73.499
1.00
59.75
N

ATOM
222
CA
VAL A
35
32.833
−7.045
74.113
1.00
61.53
C

ATOM
223
CB
VAL A
35
33.870
−8.014
73.512
1.00
61.75
C

ATOM
224
CG1
VAL A
35
33.305
−9.482
73.577
1.00
63.01
C

ATOM
225
CG2
VAL A
35
34.310
−7.601
72.124
1.00
60.56
C

ATOM
226
C
VAL A
35
33.209
−6.948
75.563
1.00
62.82
C

ATOM
227
O
VAL A
35
33.910
−6.007
75.982
1.00
63.09
O

ATOM
228
N
CYS A
36
32.785
−7.960
76.321
1.00
64.01
N

ATOM
229
CA
CYS A
36
33.228
−8.120
77.729
1.00
65.37
C

ATOM
230
CB
CYS A
36
32.397
9.193
78.453
1.00
64.76
C

ATOM
231
SG
CYS A
36
30.656
−9.017
78.065
1.00
69.83
S

ATOM
232
C
CYS A
36
34.735
−8.434
77.797
1.00
64.95
C

ATOM
233
O
CYS A
36
35.537
−7.568
78.199
1.00
65.29
C

ATOM
234
N
GLU A
37
35.097
−9.646
77.384
1.00
64.59
N

ATOM
235
CA
GLU A
37
36.479
−10.082
77.330
1.00
63.88
C

ATOM
236
CB
GLU A
37
36.570
−11.517
77.834
1.00
64.37
C

ATOM
237
CG
GLU A
37
35.284
−12.274
77.654
1.00
67.60
C

ATOM
238
CD
GLU A
37
33.519
−13.533
76.869
1.00
73.16
C

ATOM
239
OE1
GLU A
37
35.591
−14.615
77.515
1.00
74.44
O

ATOM
240
OE2
GLU A
37
35.684
−13.431
75.615
1.00
74.70
O

ATOM
241
C
GLU A
37
37.026
−9.971
75.907
1.00
62.40
C

ATOM
242
O
GLU A
37
36.251
−9.978
74.937
1.00
61.67
O

ATOM
243
N
VAL A
38
38.359
−9.867
75.798
1.00
60.90
N

ATOM
244
CA
VAL A
38
39.041
−9.835
74.502
1.00
58.93
C

ATOM
245
CB
VAL A
38
40.563
−10.130
74.565
1.00
58.27
C

ATOM
246
CG1
VAL A
38
41.147
−9.756
75.898
1.00
57.81
C

ATOM
247
CG2
VAL A
38
40.839
−11.571
74.215
1.00
57.03
O

ATOM
248
C
VAL A
38
38.408
−10.806
73.497
1.00
58.59
C

ATOM
249
O
VAL A
38
37.948
−11.924
73.852
1.00
58.08
O

ATOM
250
N
THR A
39
38.371
−10.349
72.241
1 .00
57.19
N

ATOM
251
CA
THR A
39
37.801
−11.142
71.190
1.00
55.61
C

ATOM
252
CB
THR A
39
36.290
−10.891
71.078
1.00
55.90
O

ATOM
253
OG1
THR A
39
35.673
−11.068
72.371
1.00
56.11
O

ATOM
254
OG2
THR A
39
35.653
−11.880
70.085
1.00
56.77
C

ATOM
255
C
THR A
39
38.511
−10.984
69.852
1.00
53.99
C

ATOM
256
O
THR A
39
38.723
−9.889
69.345
1.00
53.80
C

ATOM
257
N
ARG A
40
30.919
−12.114
69.324
1.00
51.89
N

ATOM
258
CA
ARG A
40
39.311
−12.183
67.964
1.00
50.84
C

ATOM
259
CB
ARG A
40
43.163
−13.449
67.703
1.00
51.09
C

ATOM
260
CG
ARG A
40
41.610
−13.351
68.235
1.00
53.34
C

ATOM
261
CD
ARG A
40
42.120
−14.663
68.891
1.00
59.31
C

ATOM
262
NE
ARG A
40
41.644
−15 871
68.189
1.00
62.71
N

ATOM
263
CZ
ARG A
40
42.216
−16.376
67.095
1.00
61.66
C

ATOM
264
NH1
ARG A
40
43.296
−15.791
66.571
1.00
62.91
N

ATOM
265
NH2
ARG A
40
41.697
−17.446
68.511
1.00
61.39
N

ATOM
266
C
ARG A
40
38.006
−12.179
67.161
1.00
49.16
C

ATOM
267
O
ARG A
40
37.085
−12.970
67.413
1.00
49.42
O

ATOM
268
N
VAL A
41
37.948
−11.252
66.209
1.00
46.85
N

ATOM
269
CA
VAL A
41
36.833
−11.031
65.326
1.00
43.89
C

ATOM
270
CB
VAL A
41
36.374
−9.572
65.430
1.00
43.78
C

ATOM
271
CG1
VAL A
41
35.434
−9.215
64.278
1.00
42.28
C

ATOM
272
CG2
VAL A
41
35.705
−9.326
66.784
1.00
42.15
C

ATOM
273
C
VAL A
41
37.231
−11.301
63.890
1.00
43.29
C

ATOM
274
O
VAL A
41
38.327
−10.850
63.443
1.00
43.00
O

ATOM
275
N
LYS A
42
36.453
−12.016
63.151
1.00
41.59
N

ATOM
276
CA
LYS A
42
36.850
−12.423
61.840
1.00
41.39
C

ATOM
277
CB
LYS A
42
36.378
−13.869
61.610
1.00
42.13
C

ATOM
278
CG
LYS A
42
36.968
−14.580
60.403
1.00
43.01
C

ATOM
279
CD
LYS A
42
36.901
−16 095
60.557
1.00
40.95
O

ATOM
280
CE
LYS A
42
35.796
−16.657
59.753
1.00
42.51
C

ATOM
281
NZ
LYS A
42
36.315
−17.146
58.459
1.00
46.66
N

ATOM
282
C
LYS A
42
36.330
−11.449
60.778
1.00
40.33
O

ATOM
283
O
LYS A
42
36.936
−11.318
59.740
1.00
40.80
O

ATOM
284
N
ALA A
43
35.220
−10.760
61.016
1.00
39.26
N

ATOM
285
CA
ALA A
43
34.670
−9.807
60.027
1.00
37.20
C

ATOM
286
CB
ALA A
43
34.367
−10.500
58.708
1.00
36.36
C

ATOM
287
C
ALA A
43
33.428
−9.115
60.553
1.00
36.90
C

ATOM
288
O
ALA A
43
32.794
−9 591
61.490
1.00
35 42
O

ATOM
289
N
VAL A
44
33.071
−7.975
59.989
1.00
37.71
N

ATOM
290
CA
VAL A
44
31.748
−7.404
60.270
1.00
38.06
C

ATOM
291
CB
VAL A
44
31.870
−6.109
61.069
1.00
38.48
C

ATOM
292
CG1
VAL A
44
30.518
−5.428
61.225
1.00
38.22
C

ATOM
293
CG2
VAL A
44
32.438
−6.426
62.458
1.00
38.69
C

ATOM
294
O
VAL A
44
31.184
−7.159
58.931
1.00
37.60
O

ATOM
295
O
VAL A
44
31.877
−6.631
58.116
1.00
37.58
O

ATOM
296
N
ARG A
45
29.979
7.638
58.641
1.00
38.54
N

ATOM
297
CA
ARG A
45
29.447
−7.463
57.241
1.00
40.04
C

ATOM
298
CB
ARG A
45
29.683
−8.660
56.280
1.00
38.91
C

ATOM
299
CG
ARG A
45
30.230
−9.885
56.918
1.00
39.55
C

ATOM
300
CD
ARG A
45
30.157
−11.133
56.040
1.00
41.20
C

ATOM
301
NE
ARG A
45
29.795
−12.224
56.927
1.00
41.64
N

ATOM
302
CZ
ARG A
45
28.623
−12.846
56.899
1.00
40.64
C

ATOM
303
NH1
ARG A
45
27.738
−12.538
55.963
1.00
40.68
N

ATOM
304
NH2
ARG A
45
28.353
−13.788
57.796
1.00
36.45
N

ATOM
305
C
ARG A
45
28.022
−6.982
57.206
1.00
40.69
C

ATOM
306
O
ARG A
45
27.314
−7.172
58.175
1.00
40.94
O

ATOM
307
N
ILE A
46
27.619
−6.305
56.132
1.00
42.15
N

ATOM
308
CA
ILE A
46
26.230
−5.793
56.081
1.00
44.21
C

ATOM
309
CB
ILE A
46
26.074
−4.214
56.158
1.00
43.85
C

ATOM
310
CG1
ILE A
46
26.685
−3.549
54.941
1.00
44.78
C

ATOM
311
CD1
ILE A
46
26.503
−2.060
54.956
1.00
47.95
O

ATOM
312
CG2
ILE A
46
26.714
−3.635
57.415
1.00
44.43
C

ATOM
313
C
ILE A
46
25.496
−6.286
54.864
1.00
44.69
C

ATOM
314
O
ILE A
46
26.112
−6.471
53.792
1.00
44.49
O

ATOM
315
N
LEU A
47
24.192
−6.495
55.062
1.00
45.04
N

ATOM
316
CA
LEU A
47
23.240
−6.678
53.988
1.00
45.78
C

ATOM
317
CB
LEU A
47
22.731
−8.094
54.044
1.00
45.36
C

ATOM
318
CG
LEU A
47
21.836
−8.563
52.903
1.00
45.74
C

ATOM
319
CD1
LEU A
47
22.473
−8.427
51.504
1.00
47.93
C

ATOM
320
CD2
LEU A
47
21.382
−9.980
53.139
1.00
45.58
C

ATOM
321
C
LEU A
47
22.095
−5.652
54.162
1.00
47.25
C

ATOM
322
O
LEU A
47
21.545
−5.443
55.258
1.00
47.49
O

ATOM
323
N
ALA A
48
21.765
−4.950
53.103
1.00
48.45
N

ATOM
324
CA
ALA A
48
20.635
−4.045
53.178
1.00
50.17
C

ATOM
325
CB
ALA A
48
21.083
−2.630
52.941
1.00
49.92
C

ATOM
326
C
ALA A
48
19.667
−4.478
52.121
1.00
51.67
C

ATOM
327
O
ALA A
48
20.073
−4.700
50.994
1.00
51.13
O

ATOM
328
N
CYS A
49
18.398
−4.623
52.476
1.00
54.51
N

ATOM
329
CA
CYS A
49
17.390
−5.039
51.492
1.00
58.59
C

ATOM
330
CB
CYS A
49
16.847
−6.413
51.828
1.00
58.88
C

ATOM
331
SG
CYS A
49
18.150
−7.646
51.999
1.00
68.20
S

ATOM
332
C
CYS A
49
16.204
−4.138
51.458
1.00
59.45
C

ATOM
333
O
CYS A
49
15.880
−3.496
52.459
1.00
61.22
O

ATOM
334
N
GLY A
50
15.530
−4.125
50.316
1.00
60.35
N

ATOM
335
CA
GLY A
50
14.181
−3.556
50.200
1.00
60.14
C

ATOM
336
C
GLY A
50
13.314
−4.595
49.518
1.00
59.73
C

ATOM
337
O
GLY A
50
13.670
−5.080
48.473
1.00
60.18
O

ATOM
338
N
VAL A
51
12.203
−4.999
50.107
1.00
59.64
N

ATOM
339
CA
VAL A
51
11.359
−5.976
49.412
1.00
59.32
C

ATOM
340
CB
VAL A
51
11.522
−7.433
49.968
1.00
58.76
C

ATOM
341
CG1
VAL A
51
10.475
−8.334
49.357
1.00
57.25
C

ATOM
342
CG2
VAL A
51
12.860
−7.992
49.667
1.00
57.70
C

ATOM
343
C
VAL A
51
9.882
−5.618
49.526
1.00
59.44
C

ATOM
244
O
VAL A
51
9.306
−5.776
50. 610
1.00
59.43
O

ATOM
345
N
ALA A
52
9.255
−5.153
48.443
1.00
59.00
N

ATOM
346
CA
ALA A
52
7.784
−5.132
48.455
1.00
58.91
C

ATOM
347
CB
ALA A
52
7.223
−4 038
47.620
1.00
58.32
C

ATOM
348
C
ALA A
52
7.168
−6.500
48.116
1.00
58.83
C

ATOM
349
O
ALA A
52
7.701
−7.313
47.346
1.00
59.07
O

ATOM
350
N
LYS A
53
6.052
−6.772
48.743
1.00
58.67
N

ATOM
351
CA
LYS A
53
5.442
−8.061
48.603
1.00
59.17
C

ATOM
352
CB
LYS A
53
5.779
−8.885
49.853
1.00
59.21
C

ATOM
353
CG
LYS A
53
5.012
−10.161
50.047
1.00
62.57
C

ATOM
354
CD
LYS A
53
5.653
−11.046
51.146
1.00
69.69
C

ATOM
355
CE
LYS A
53
4.582
−11.990
51.837
1.00
73.65
C

ATOM
356
NZ
LYS A
53
5.166
−13.166
52.616
1.00
74.51
N

ATOM
357
C
LYS A
53
3.937
−7.758
48.401
1.00
59.28
C

ATOM
358
O
LYS A
53
3.272
−7.127
49.267
1.00
58.98
O

ATOM
359
N
VAL A
54
3.425
−8.127
47.225
1.00
58.40
N

ATOM
360
CA
VAL A
54
2.037
−7.837
46.893
1.00
58.45
C

ATOM
360
CB
VAL A
54
1.929
−7.075
45.528
1.00
58.20
C

ATOM
362
CG1
VAL A
54
0.478
−6.793
45.156
1.00
55.93
C

ATOM
363
CG2
VAL A
54
2.746
−5.749
45.581
1.00
57.36
C

ATOM
364
C
VAL A
54
1.257
−9.145
46.918
1.00
59.21
C

ATOM
365
O
VAL A
54
1.682
−10.121
46.296
1.00
58.73
O

ATOM
366
N
LEU A
55
0.153
−9.190
47.674
1.00
60.61
N

ATOM
367
CA
LEU A
55
−0.635
−10.454
47.802
1.00
62.05
C

ATOM
368
CB
LEU A
55
−0.044
−11.375
48.880
1.00
62.58
C

ATOM
369
CG
LEU A
55
−0.263
−11.234
50.393
1.00
63.31
C

ATOM
370
CD1
LEU A
55
0.919
−11.972
51.027
1.00
64.71
C

ATOM
371
CD2
LEU A
55
−0.336
−9.788
50.901
1.00
62.74
C

ATOM
372
C
LEU A
55
−2.153
−10.338
47.369
1.00
62.38
C

ATOM
373
O
LEU A
55
−2.654
−9.399
48.562
1.00
62.62
O

ATOM
374
N
TRP A
55
−2.890
−11.293
47.431
1.00
63.36
N

ATOM
375
CA
TRP A
56
−4.337
−11.165
47.446
1.00
65.00
C

ATOM
376
CB
TRP A
56
−4.831
10.188
46.356
1.00
64.21
C

ATOM
377
CG
TRP A
56
−4.698
−10.705
44.895
1.00
62.48
C

ATOM
378
CD1
TRP A
56
−5.652
−11.372
44.169
1.00
60.94
C

ATOM
379
NE1
TRP A
56
−5.190
−11.661
42.911
1.00
59.49
N

ATOM
380
CE2
TRP A
56
−3.913
−11.183
42.789
1.00
61.29
C

ATOM
381
CD2
TRP A
56
−3.568
−10.566
44.022
1.00
60.02
C

ATOM
382
CE3
TRP A
56
−2.293
−9.993
44.162
1.00
57.05
C

ATOM
383
CZ3
TRP A
56
−1.409
−10.046
43.087
1.00
56.02
C

ATOM
384
CH2
TRP A
56
−1.768
−10.667
41.870
1.00
58.31
C

ATOM
385
CZ2
TRP A
56
−3.017
−11.246
41.597
1.00
60.49
C

ATOM
386
C
TRP A
56
−4.921
−12.544
47.278
1.00
66.99
C

ATOM
387
O
TRP A
56
−4.172
−13.483
47.008
1.00
66.86
O

ATOM
388
N
MET A
57
−6.244
−12.646
47.460
1.00
69.86
N

ATOM
389
CA
MET A
57
−7.007
−13 904
47.359
1.00
72.88
C

ATOM
390
CB
MET A
57
−7.653
−14.293
48.715
1.00
73.43
C

ATOM
391
CG
MET A
57
−6.683
−14.451
49.904
1.00
76.48
C

ATOM
392
SD
MET A
57
−5.923
−16.103
50.074
1.00
84.81
S

ATOM
393
CE
MET A
57
−4.191
−15.697
50.487
1.00
81.82
C

ATOM
394
C
MET A
57
−8.093
−13.771
46.293
1.00
74.08
C

ATOM
395
O
MET A
57
−9.079
−13.048
46.483
1.00
74.27
O

ATOM
396
N
GLN A
58
−7.903
−14.454
45.167
1.00
76.15
N

ATOM
397
CA
GLN A
58
−8.866
−14.404
44.044
1.00
77.84
C

ATOM
398
CB
GLN A
58
−8.190
−14.866
42.746
1.00
78.26
C

ATOM
399
CG
GLN A
58
−8.849
−14.394
41.475
1.00
80.90
C

ATOM
400
CD
GLN A
58
−8.179
−13.134
40.887
1.00
84.93
C

ATOM
401
OE1
GLN A
58
−7.113
−13.208
40.246
1.00
85.33
O

ATOM
402
NE2
GLN A
58
−8.830
−11.973
41.072
1.00
86.19
N

ATOM
403
C
GLN A
58
−9.976
−15.383
44.410
1.00
78.32
C

ATOM
404
O
GLN A
58
−9.662
−16.544
44.765
1.00
76.82
O

ATOM
405
N
GLY A
59
−11.243
−14.939
44.334
1.00
78.40
N

ATOM
406
CA
GLY A
59
12.363
15.695
44.902
1.00
78.31
C

ATOM
407
C
GLY A
59
−12.048
−16.026
46.371
1.00
78.26
C

ATOM
408
O
GLY A
59
−12.606
−15.413
47.278
1.00
78.80
O

ATOM
409
N
SER A
60
11.160
−17.002
46.593
1.00
77.47
N

ATOM
410
CA
SER A
60
−10.500
−17.231
47.879
1.00
76.74
C

ATOM
411
CB
SER A
60
−11.450
−17.943
48.856
1.00
77.29
C

ATOM
412
OG
SER A
60
−11.013
−17.878
50.212
1.00
77.62
O

ATOM
413
C
SER A
60
−9.231
−18.066
47.609
1.00
76.28
C

ATOM
414
O
SER A
60
−9.119
−19.221
48.061
1.00
75.87
O

ATOM
415
N
GLN A
61
−8.280
−17.483
46.059
1.00
75.41
N

ATOM
416
CA
GLN A
61
−7.083
−18.213
46.411
1.00
74.09
C

ATOM
417
CB
GLN A
61
−7.199
−18.497
44.920
1.00
73.74
C

ATOM
418
CG
GLN A
61
−6.819
−19.926
44.580
1.00
74.69
C

ATOM
419
CD
GLN A
61
−5.527
20.051
43.746
1.00
75.64
C

ATOM
420
OE1
GLN A
61
−4.538
−20.678
44.176
1.00
73.80
O

ATOM
421
NE2
GLN A
61
−5.549
−19.471
42.534
1.00
75.00
N

ATOM
422
C
GLN A
61
−5.753
−17.507
46.750
1.00
73.23
C

ATOM
423
O
GLN A
61
−5.710
−16.286
46.815
1.00
73.42
O

ATOM
424
N
GLN A
62
−4.677
−18.274
46.957
1.00
72.02
N

ATOM
425
CA
GLN A
62
−3.354
−17.726
47.373
1.00
70.51
C

ATOM
426
CB
GLN A
62
−2.534
−18.781
48.141
1.00
70.64
C

ATOM
427
CG
GLN A
62
−2.721
−18.697
49.662
1.00
72.27
C

ATOM
428
CD
GLN A
62
−3.023
−20.058
50.351
1.00
73.01
C

ATOM
429
OE1
GLN A
62
−3.666
−20.954
49.765
1.00
73.06
O

ATOM
430
NE2
GLN A
62
−2.560
−20.201
51.603
1.00
69.51
N

ATOM
431
C
GLN A
62
−2.527
−17.138
46.229
1.00
68.80
C

ATOM
432
O
GLN A
62
−1.817
−17.860
45.498
1.00
69.20
O

ATOM
433
N
CYS A
63
−2.588
−15.823
46.095
1.00
66.08
N

ATOM
434
CA
CYS A
63
−1.964
−15.203
44.959
1.00
64.18
C

ATOM
435
CB
CYS A
63
−3.035
−14.706
44.012
1.00
63.92
C

ATOM
436
SG
CYS A
63
−2.491
−15.049
42.395
1.00
63.91
S

ATOM
437
C
CYS A
63
−0.985
−14.095
45.304
1.00
62.87
C

ATOM
438
O
CYS A
63
−1.388
−13.085
45.872
1.00
62.85
O

ATOM
439
N
LYS A
64
0.289
−14.277
44.940
1.00
61.36
N

ATOM
440
CA
LYS A
64
1.349
−13.408
45.436
1.00
60.44
C

ATOM
441
CB
LYS A
64
1.816
−13.945
46.763
1.00
60.78
C

ATOM
442
CG
LYS A
64
2.762
−12.995
47.425
1.00
63.58
C

ATOM
443
CD
LYS A
64
3.399
−13.575
48.640
1.00
67.23
C

ATOM
444
CE
LYS A
64
4.430
−14.616
48.299
1.00
67.11
C

ATOM
445
NZ
LYS A
64
5.402
−14.483
49.404
1.00
69.76
N

ATOM
446
C
LYS A
64
2.592
−13.152
44.559
1.00
59.84
C

ATOM
447
O
LYS A
64
3.159
−14.079
43.989
1.00
59.44
O

ATOM
448
N
GLN A
65
3.012
−11.881
44.473
1.00
59.37
N

ATOM
449
CA
GLN A
65
4.290
−11.482
43.833
1.00
58.93
C

ATOM
450
CB
GLN A
65
4.061
−10.671
42.533
1.00
59.59
C

ATOM
451
CG
GLN A
65
4.935
−9.336
42.364
1.00
60.27
C

ATOM
452
CD
GLN A
65
4.757
−8.634
40.981
1.00
60.93
C

ATOM
453
OE1
GLN A
65
3.970
−7.684
40.845
1.00
59.11
O

ATOM
454
NE2
GLN A
65
5.485
−9.116
39.960
1.00
59.60
N

ATOM
455
C
GLN A
65
5.245
−10.719
44.767
1.00
57.93
C

ATOM
456
O
GLN A
65
4.837
−9.820
45.498
1.00
58.13
O

ATOM
457
N
THR A
66
6.530
−11.054
44.679
1.00
56.75
N

ATOM
458
CA
THR A
66
7.589
−10.493
45.537
1.00
54.86
C

ATOM
459
CB
THR A
66
8.321
−11.672
46.171
1.00
54.83
C

ATOM
469
OG1
THR A
66
7.349
−12.517
46.798
1.00
54.92
O

ATOM
461
OG2
THR A
65
9.360
−11.227
47.167
1.00
54.17
C

ATOM
462
C
THR A
66
8.555
−9.709
44.657
1.00
53.60
C

ATOM
463
O
THR A
66
8.915
−10.199
43.611
1.00
53.05
O

ATOM
464
N
SER A
67
8.969
−8.502
45.027
1.00
53.05
N

ATOM
465
CA
SER A
67
9.855
−7.728
44.126
1.00
52.95
C

ATOM
466
CB
SER A
67
9.085
−6.747
43.228
1.00
52.59
C

ATOM
467
OG
SER A
67
7.832
−7.234
42.768
1.00
50.91
O

ATOM
468
C
SER A
67
10.885
−6.938
44.923
1.00
53.94
C

ATOM
469
O
SER A
67
10.508
−6.143
45.802
1.00
55.21
O

ATOM
470
N
GLU A
68
12.170
−7.117
44.621
1.00
53.61
N

ATOM
471
CA
GLU A
68
13.211
−6.402
45.362
1.00
53.72
C

ATOM
472
CB
GLU A
68
14.472
−7.248
45.516
1.00
54.45
C

ATOM
473
CG
GLU A
68
14.201
−8.729
45.965
1.00
56.01
C

ATOM
474
CD
GLU A
68
15.459
−9.561
45.985
1.00
57.56
C

ATOM
475
OE1
GLU A
68
16.486
−9.144
45.379
1.00
56.37
O

ATOM
476
OE2
GLU A
68
15.416
−10.620
46.632
1.00
60.71
O

ATOM
477
C
GLU A
68
13.554
−5.080
44.732
1.00
53.20
C

ATOM
478
O
GLU A
68
13.207
−4.844
43.586
1.00
53.30
O

ATOM
479
N
TYR A
69
14.232
−4.221
45.498
1.00
52.82
N

ATOM
480
CA
TYR A
69
14.577
−2.865
45.084
1.00
52.32
C

ATOM
481
CB
TYR A
69
13.530
−1.893
45.558
1.00
51.84
C

ATOM
482
CG
TYR A
69
12.247
−2.068
44.820
1.00
52.73
C

ATOM
483
CD1
TYR A
69
11.353
−3.107
45.147
1.00
51.31
C

ATOM
484
CF1
TYR A
69
10.168
−3.283
44.444
1.00
50.62
C

ATOM
485
CZ
TYR A
69
9.876
−2.401
43.413
1.00
52.03
C

ATOM
486
OH
TYR A
69
8.708
−2.515
42.698
1.00
53.65
O

ATOM
487
CE2
TYR A
69
10.743
−1.378
43.077
1.00
52.01
C

ATOM
488
CD2
TYR A
69
11.922
−1.218
43.772
1.00
52.11
C

ATOM
489
C
TYR A
69
15.912
−2.746
45.654
1.00
52.33
C

ATOM
490
O
TYR A
69
16.505
−1.434
45.529
1.00
51.54
O

ATOM
491
N
LEU A
70
16.378
−3.313
46.588
1.00
51.79
N

ATOM
492
CA
LEU A
70
17.714
−3.162
47.146
1.00
51.63
C

ATOM
493
CB
LEU A
70
17.625
−2.336
48.413
1.00
50.85
C

ATOM
494
CG
LEU A
70
18.907
−1.615
48.840
1.00
46.79
C

ATOM
495
CD1
LEU A
70
19.474
−0.730
47.754
1.00
47.46
C

ATOM
496
CD2
LEU A
70
18.556
−0.775
50.020
1.00
45.00
C

ATOM
497
C
LEU A
70
18.317
−4.506
47.481
1.00
52.94
C

ATOM
498
O
LEU A
70
17.652
−5.346
48.083
1.00
54.45
O

ATOM
499
N
ARG A
71
19.557
−4.730
47.063
1.00
53.79
N

ATOM
500
CA
ARG A
71
20.377
−5.887
47.521
1.00
54.65
C

ATOM
501
CB
ARG A
71
20.459
−7.046
46.534
1.00
54.83
C

ATOM
502
CG
ARG A
71
19.597
−8.265
46.898
1.00
60.66
C

ATOM
503
CD
ARG A
71
19.813
−9.414
45.858
1.00
67.56
C

ATOM
504
NE
ARG A
71
18.763
−10.447
45.874
1.00
71.85
N

ATOM
505
CZ
ARG A
71
18.681
−11.475
45.021
1.00
73.30
C

ATOM
506
NH1
ARG A
71
19.568
−11.642
44.054
1.00
74.20
N

ATOM
507
NH2
ARG A
71
17.696
−12.353
45.141
1.00
75.58
N

ATOM
508
C
ARG A
71
21.728
−5.269
47.605
1.00
53.66
C

ATOM
509
O
ARG A
71
22.297
4.891
46.591
1.00
54.32
O

ATOM
510
N
TYR A
72
22.216
−5.077
48.815
1.00
52.55
N

ATOM
511
CA
TYR A
72
23.461
−4.386
48.967
1.00
50.91
C

ATOM
512
CB
TYR A
72
23.223
−2.882
49.213
1.00
50.94
C

ATOM
513
CG
TYR A
72
24.483
−2.157
49.535
1.00
50.60
C

ATOM
514
CD1
TYR A
72
25.195
−1.471
48.538
1.00
50.85
C

ATOM
515
CE1
TYR A
72
26.386
−0.836
48.835
1.00
51.21
C

ATOM
516
CZ
TYR A
72
26.866
−0.915
50.148
1.00
51.23
C

ATOM
517
OH
TYR A
72
28.025
−0.320
50.501
1.00
52.21
O

ATOM
518
CE2
TYR A
72
26.190
−1.606
51.128
1.00
49.94
C

ATOM
519
CD2
TYR A
72
25.009
−2.211
50.925
1.00
48.25
C

ATOM
520
C
TYR A
72
24.226
−5.097
50.065
1.00
50.35
C

ATOM
521
O
TYR A
72
23.692
−5.419
51.126
1.00
49.15
O

ATOM
522
N
GLU A
73
25.476
−5.408
49.772
1.00
50.92
N

ATOM
523
CA
GLU A
73
26.294
−6.124
50.735
1.00
51.68
C

ATOM
524
CB
GLU A
73
26.202
−7.649
50.610
1.00
51.78
C

ATOM
525
CG
GLU A
73
26.047
−8.149
49.212
1.00
54.54
C

ATOM
526
CD
GLU A
73
25.656
−9.609
49.166
1.00
57.83
C

ATOM
527
OE1
GLU A
73
25.712
−10.295
50.206
1.00
59.23
O

ATOM
528
OE2
GLU A
73
25.286
−10.088
48.081
1.00
59.33
O

ATOM
529
C
GLU A
73
27.686
−5.643
50.641
1.00
51.33
C

ATOM
530
O
GLU A
73
28.156
−5.308
49.554
1.00
51.83
O

ATOM
531
N
ASP A
74
28.307
−5.553
51.814
1.00
51.35
N

ATOM
532
CA
ASP A
74
29.634
−4.993
51.979
1.00
51.00
C

ATOM
533
CB
ASP A
74
29.548
−3.455
52.047
1.00
52.43
C

ATOM
534
CG
ASP A
74
30.885
−2.723
51.651
1.00
56.57
C

ATOM
535
OD1
ASP A
74
31.576
−3.140
50.673
1.00
61.45
O

ATOM
536
OD2
ASP A
74
31.218
−1.685
52.306
1.00
60.30
O

ATOM
537
C
ASP A
74
30.242
−5.547
53.254
1.00
49.70
C

ATOM
538
O
ASP A
74
29.556
−5.909
54.220
1.00
49.00
O

ATOM
539
N
THR A
75
31.551
−5.267
53.233
1.00
48 63
N

ATOM
540
CA
THR A
75
32.280
−6.009
54.380
1.00
47.78
C

ATOM
541
CB
THR A
75
33.285
−7.051
53.985
1.00
47.38
C

ATOM
542
OG1
THR A
75
32.551
−8.140
53.444
1.00
46.44
O

ATOM
543
CG2
THR A
75
34.021
−7.559
55.175
1.00
46.68
C

ATOM
544
C
THR A
75
32.907
−4.710
54.829
1.00
47.76
C

ATOM
545
O
THR A
75
33.461
−4.006
53.989
1.00
47.29
O

ATOM
546
N
LEU A
76
32.781
−4.412
56.130
1.00
46.61
N

ATOM
547
CA
LEU A
76
33.199
−3.158
56.717
1.00
47.00
C

ATOM
548
CB
LEU A
76
32.125
−2.637
57.667
1.00
45.65
C

ATOM
549
CG
LEU A
76
30.732
−2.549
57.058
1.00
45.50
C

ATOM
550
CD1
LEU A
76
29.784
−1.861
58.021
1.00
43.80
C

ATOM
551
CD2
LEU A
76
30.720
−1.890
55.655
1.00
40.35
C

ATOM
552
C
LEU A
76
34.541
−3.241
57.452
1.00
48.49
C

ATOM
553
O
LEU A
76
34.969
−4.330
57.840
1.00
48.38
O

ATOM
554
N
LEU A
77
35.178
−2.081
57.690
1.00
49.89
N

ATOM
555
CA
LEU A
77
36.596
−2.034
58.079
1.00
51.00
C

ATOM
556
CB
LEU A
77
37.440
−1.723
56.858
1.00
50.42
C

ATOM
557
CG
LEU A
77
37.241
−2.625
55.651
1.00
50.72
C

ATOM
558
CD1
LEU A
77
38.070
−2.029
54.525
1.00
49.78
C

ATOM
559
CD2
LEU A
77
37.644
−4.111
55.958
1.00
49.33
C

ATOM
560
C
LEU A
77
36.882
−0 940
59.042
1.00
51.90
C

ATOM
561
O
LEU A
77
36.603
0.211
58.763
1.00
52.15
O

ATOM
562
N
LEU A
78
37.501
−1.272
60.166
1.00
53.85
N

ATOM
563
CA
LEU A
78
37.856
−0.245
61.142
1.00
54.73
C

ATOM
564
CB
LEU A
78
38.473
−0.853
62.376
1.00
53.86
C

ATOM
565
CG
LEU A
78
37.776
−1.883
63.212
1.00
53.29
C

ATOM
566
CD1
LEU A
78
38.806
−2.310
64.159
1.00
53.68
C

ATOM
567
CD2
LEU A
78
36.592
−1.295
63.962
1.00
56.05
C

ATOM
568
C
LEU A
78
38.901
0.629
60.501
1.00
56.57
C

ATOM
569
O
LEU A
78
39.802
0.120
59.792
1.00
56.48
O

ATOM
570
N
GLU A
79
38.802
1.934
60.758
1.00
58.76
N

ATOM
571
CA
GLU A
79
39.795
2.901
60.271
1.00
60.35
C

ATOM
572
CB
GLU A
79
39.306
4.308
60.568
1.00
60.97
C

ATOM
573
CG
GLU A
79
37.951
4.605
59.888
1.00
64.52
C

ATOM
574
CD
GLU A
79
37.333
5.961
60.273
1.00
69.49
C

ATOM
575
OE1
GLU A
79
36.260
5.951
60.943
1.00
71.01
O

ATOM
576
OE2
GLU A
79
37.921
7.028
59.930
1.00
68.77
O

ATOM
577
C
GLU A
79
41.228
2.626
60.789
1.00
60.65
C

ATOM
578
O
GLU A
79
42.170
2.525
59.988
1.00
60.84
O

ATOM
579
N
ASP A
80
41.395
2.425
62.096
1.00
61.09
N

ATOM
580
CA
ASP A
80
42.735
2.080
62.623
1.00
62.27
C

ATOM
581
CB
ASP A
80
42.837
2.393
64.120
1.00
62.36
C

ATOM
582
CG
ASP A
80
44.230
2.070
64.689
1.00
63.93
C

ATOM
583
OD1
ASP A
80
45.187
2.832
64.377
1.00
64.01
O

ATOM
584
OD2
ASP A
80
44.367
1.051
65.430
1.00
63.72
O

ATOM
585
C
ASP A
80
43.206
0.623
62.402
1.00
62.57
C

ATOM
586
O
ASP A
80
44.053
0.107
63.144
1.00
62.93
C

ATOM
587
N
GLN A
81
42.670
−0.057
61.404
1.00
62.52
N

ATOM
588
CA
GLN A
81
43.006
−1.468
61.222
1.00
62.82
C

ATOM
589
CB
GLN A
81
41.884
−2.346
61.780
1.00
63.20
C

ATOM
590
CG
GLN A
81
41.920
−3.814
61.351
1.00
65.72
C

ATOM
591
CD
GLN A
81
43.003
−4.660
62.065
1.00
71.57
C

ATOM
592
OE1
GLN A
81
42.953
−5.906
61.999
1.00
73.29
O

ATOM
593
NE2
GLN A
81
43.974
−3.997
62.760
1.00
71.63
N

ATOM
594
C
GLN A
81
43.31l
−1.778
59.742
1.00
62.64
C

ATOM
595
O
GLN A
81
42.760
−2.748
59.164
1.00
62.60
O

ATOM
596
N
PRO A
82
44.219
−0.978
59.131
1.00
61.65
N

ATOM
597
CA
PRO A
82
44.266
−0.928
57.689
1.00
60.94
C

ATOM
598
CB
PRO A
87
44.318
0.151
57.431
1.00
60.79
C

ATOM
599
CG
PRO A
82
46.231
0.000
58.586
1.00
61.06
C

ATOM
600
CD
PRO A
82
45.284
−0.151
59.723
1.00
61.54
C

ATOM
601
C
PRO A
82
44.651
−2.256
57.005
1.00
60.15
C

ATOM
602
O
PRO A
82
44.469
−2.389
55.792
1.00
60.69
O

ATOM
603
N
THR A
83
45.130
−3.260
57.751
1.00
58.67
N

ATOM
604
CA
THR A
83
45.745
−4.452
57.118
1.00
57.42
C

ATOM
605
CB
THR A
83
46.532
−5.286
58.133
1.00
57.19
C

ATOM
606
OG1
THR A
83
45.723
−5.484
59.298
1.00
58.15
O

ATOM
607
CG2
THR A
83
47.772
−4.521
58.552
1.00
56.89
C

ATOM
608
C
THR A
83
44.900
−5.301
56.093
1.00
50.22
C

ATOM
609
O
THR A
83
45.404
−5.615
55.013
1.00
56.95
O

ATOM
610
N
GLY A
84
43.647
−5.651
56.376
1.00
54.52
N

ATOM
611
CA
GLY A
84
42.883
−6.444
55.410
1.00
51.80
C

ATOM
612
C
GLY A
84
42.117
−7.618
55.960
1.00
50.22
C

ATOM
613
O
GLY A
84
42.301
−8.012
57.089
1.00
51.04
O

ATOM
614
N
GLU A
85
41.242
−8.188
55.151
1.00
48.73
N

ATOM
615
CA
GLU A
85
40.313
−9.198
55.615
1.00
46.86
C

ATOM
616
CB
GLU A
85
39.197
−9.331
54.618
1.00
46.67
C

ATOM
617
CG
GLU A
85
38.498
−8.047
54.265
1.00
49.21
C

ATOM
618
CD
GLU A
85
37.654
−8.217
52.998
1.00
49.21
C

ATOM
619
OF1
GLU A
85
37.099
−9.323
52.826
1.00
49.64
O

ATOM
620
OE2
GLU A
85
37.560
−7.269
52.184
1.00
47.94
O

ATOM
621
C
GLU A
85
40.944
−10.573
55.772
1.00
45.54
C

ATOM
622
O
GLU A
85
40.242
−11.560
55.935
1.00
45.78
O

ATOM
623
N
ASN A
86
42.256
−10.668
55.684
1.00
43.46
N

ATOM
624
CA
ASN A
86
42.879
−11.943
55.928
1.00
41.43
C

ATOM
625
CB
ASN A
86
43.666
−12.401
54.706
1.00
40.58
C

ATOM
626
CG
ASN A
86
44.744
−11.403
54.290
1.00
37.58
C

ATOM
627
OD1
ASN A
86
44.645
−10.184
54.528
1.00
34.23
O

ATOM
628
ND2
ASN A
86
45.774
−11.913
53.656
1.00
31.96
N

ATOM
629
C
ASN A
86
43.763
−11.848
57.154
1.00
41.64
C

ATOM
630
O
ASN A
86
44.703
−12.616
57.303
1.00
40 56
O

ATOM
631
N
GLU A
87
43.432
−10.879
58.006
1.00
41.82
N

ATOM
632
CA
GLU A
87
44.030
−10.684
59.305
1.00
43.52
C

ATOM
633
CB
GLU A
87
44.940
−9.490
59.268
1.00
44.17
C

ATOM
634
CG
GLU A
87
45.039
−9.230
60.584
1.00
49.24
C

ATOM
635
CD
GLU A
87
47.139
−9.532
60.482
1.00
58.40
C

ATOM
636
OE1
GLU A
87
47.530
−10.687
60.045
1.00
58.89
O

ATOM
637
OE2
GLU A
87
47.908
−8.575
60.812
1.00
5.28
O

ATOM
638
C
GLU A
87
42.909
−10.330
60.272
1.00
43.94
C

ATOM
639
O
GLU A
87
42.234
−9.308
60.102
1.00
44.06
O

ATOM
640
N
MET A
88
42.692
−11.157
61.288
1.00
44.11
N

ATOM
641
CA
MET A
88
41.621
−10.880
62.225
1.00
44.01
C

ATOM
642
CB
MET A
88
41.287
−12.132
63.024
1.00
43.97
C

ATOM
643
CG
MET A
88
40.293
−13.008
62.322
1.00
44.97
C

ATOM
644
SD
MET A
88
40.286
−14.627
63.044
1.00
42.61
S

ATOM
645
CE
MET A
88
41.932
−15.100
62.737
1.00
39.89
C

ATOM
646
C
MET A
88
41.997
−9.755
63.175
1.00
43.75
C

ATOM
647
O
MET A
88
43.175
−9.463
63.422
1.00
44.08
O

ATOM
648
N
VAL A
89
40.976
−9.174
63.753
1.00
43.51
N

ATOM
649
CA
VAL A
89
41.116
−8.041
64.631
1.00
43.35
C

ATOM
650
CB
VAL A
89
40.040
−7.057
64.299
1.00
42.39
C

ATOM
651
CG1
VAL A
89
39.984
−5.293
65.299
1.00
40.37
C

ATOM
652
CG2
VAL A
89
40.291
−6.568
62.891
1.00
42.54
C

ATOM
653
C
VAL A
89
40.980
−8.437
66.086
1.00
44.34
C

ATOM
654
O
VAL A
89
40.187
−9.335
55.430
1.00
44.14
O

ATOM
655
N
ILE A
90
41.768
−7.97
66.948
1.00
44.79
N

ATOM
656
CA
ILE A
90
41.619
−8.108
68.360
1.00
46.01
C

ATOM
657
CB
ILE A
90
42.987
−8.397
69.052
1.00
46.31
C

ATOM
658
CG1
ILE A
90
43.780
−9.356
68.188
1.00
45.79
C

ATOM
659
CD1
ILE A
90
44.769
−10.170
68.921
1.00
45.28
C

ATOM
660
CG2
ILE A
90
42.777
−8.968
70.480
1.00
45.51
C

ATOM
661
C
ILE A
90
40.602
−7.035
09.015
1.00
45.61
C

ATOM
662
O
ILE A
90
41.188
−5.889
69.002
1.00
45.26
O

ATOM
663
N
MET A
91
39.644
−7.405
69.539
1.00
46.65
N

ATOM
664
CA
MET A
91
38.795
−6.417
70.184
1.00
48.35
C

ATOM
665
CB
MET A
91
37.323
−6.599
69.800
1.00
47.66
C

ATOM
666
CG
MET A
91
36.983
−6.059
68.394
1.00
48.12
C

ATOM
667
SD
MET A
91
35.183
−5.985
68.057
1.00
49.56
S

ATOM
668
CE
MET A
91
35.125
−5.358
66.392
1.00
46.96
C

ATOM
669
C
MET A
91
38.993
−6.495
71.668
1.00
49.48
C

ATOM
670
O
MET A
91
39.302
−7.560
72.203
1.00
49.66
O

ATOM
671
N
ARG A
92
38.801
−5.382
72.346
1.00
51.49
N

ATOM
672
CA
ARG A
92
38.933
−5.375
73.819
1.00
53.87
C

ATOM
673
CB
ARG A
92
40.286
−4.812
74.238
1.00
53.77
C

ATOM
674
CG
ARG A
92
41.329
−5.845
74.376
1.00
55.46
C

ATOM
675
CD
ARG A
92
42.604
−5.258
73.912
1.00
59.88
C

ATOM
676
NE
ARG A
92
43.425
−6.275
73.268
1.00
63.47
N

ATOM
677
CZ
ARG A
92
44.655
−6.034
72.846
1.00
64.27
C

ATOM
678
NH1
ARG A
92
45.137
−4.808
73.019
1.00
64.78
N

ATOM
679
NH2
ARG A
92
45.390
−6.992
72.270
1.00
62.95
N

ATOM
680
C
ARG A
92
37.861
−4.646
74.628
1.00
54.74
C

ATOM
681
O
ARG A
92
37.326
−3.578
74.209
1.00
54.97
O

ATOM
682
N
PRO A
93
37.586
−5.178
75.833
1.00
55.69
N

ATOM
683
CA
PRO A
93
36.682
−4.464
76.747
1.00
56.18
C

ATOM
684
CB
PRO A
93
37.024
−5.065
78.110
1.00
56.31
C

ATOM
685
CG
PRO A
93
38.120
−6.142
77.849
1.00
55.28
C

ATOM
686
CD
PRO A
93
38.097
−6.439
76.411
1.00
55.16
C

ATOM
687
C
PRO A
93
37.063
−2.990
76.742
1.00
56.94
C

ATOM
688
O
PRO A
93
38.227
−2.084
70.544
1.00
57.39
O

ATOM
689
N
GLY A
94
36.113
−2.081
76.927
1.00
57.84
N

ATOM
690
CA
GLY A
94
36.467
−0.687
77.183
1.00
58.45
C

ATOM
691
C
GLY A
94
36.203
0.193
75.992
1.00
59.46
C

ATOM
692
O
GLY A
94
35.192
0.915
75.955
1.00
59.77
O

ATOM
693
N
ASN A
95
37.099
0.146
75.009
1.00
59 48
N

ATOM
694
CA
ASN A
95
36.829
0.842
73.768
1.00
59.46
C

ATOM
695
CB
ASN A
95
38.064
0.914
72.875
1.00
60.28
C

ATOM
696
CG
ASN A
95
39.092
−0.171
73.206
1.00
62.12
C

ATOM
697
OD1
ASN A
95
38.755
−1.341
73.447
1.00
62.51
O

ATOM
698
ND2
ASN A
95
40.359
0.223
73.210
1.00
65.35
N

ATOM
699
O
ASN A
95
35.629
0.237
73.060
1.00
58.96
O

ATOM
700
O
ASN A
95
35.146
−0.838
73.435
1.00
59 19
O

ATOM
701
N
LYS A
96
35.182
0.943
72.023
1.00
58.29
N

ATOM
702
CA
LYS A
96
33.848
0.848
71.436
1.00
56.76
C

ATOM
703
CG
LYS A
96
33.048
2.094
71.898
1.00
57.72
C

ATOM
704
CG
LYS A
96
31.491
2.155
71.704
1.00
58.59
C

ATOM
705
CD
LYS A
96
30.854
3.383
72.454
1.00
60.30
C

ATOM
706
CE
LYS A
96
29.307
3.570
72.208
1.00
62.06
C

ATOM
707
NZ
LYS A
96
28.872
4.451
71.016
1.00
61.04
N

ATOM
708
C
LYS A
96
34.169
0.932
69.965
1.00
55.34
C

ATOM
709
O
LYS A
96
34.589
1.981
69.490
1.00
54.32
O

ATOM
710
N
TYR A
97
34.010
−0.191
69.257
1.00
54.64
N

ATOM
711
CA
TYR A
97
34.571
−0.377
67.906
1.00
53.27
C

ATOM
712
CB
TYR A
97
35.068
−1.816
67.741
1.00
53.26
C

ATOM
713
CG
TYR A
97
36.253
−2.191
68.622
1.00
52.42
C

ATOM
714
CD1
TYR A
97
37.562
−1.923
68.219
1.00
51.64
C

ATOM
715
CE1
TYR A
97
38.638
−2.236
68.999
1.00
48.12
C

ATOM
716
CZ
TYR A
97
38.442
−2.836
70.214
1.00
50.93
C

ATOM
717
OH
TYR A
97
39.553
−3.194
70.999
1.00
54.00
O

ATOM
718
CE2
TYR A
97
37.153
−3.110
70.650
1.00
51.03
C

ATOM
719
CD2
TYR A
97
36.068
−2.798
69.852
1.00
51.49
C

ATOM
720
C
TYR A
97
33.526
−0.042
66.850
1.00
53.09
C

ATOM
721
O
TYR A
97
32.424
−0.599
66.857
1.00
52.42
O

ATOM
722
N
GLU A
98
33.879
0.875
65.591
1.00
53.17
N

ATOM
723
CA
GLU A
98
32.885
1.568
65.098
1.00
53.59
C

ATOM
724
CB
GLU A
98
32.805
3.064
65.427
1.00
53.54
C

ATOM
725
CG
GLU A
98
32.101
3.314
66.760
1.00
57.79
C

ATOM
726
CD
GLU A
98
32.035
4.772
67.143
1.00
64.85
C

ATOM
727
OE1
GLU A
98
33.075
5.480
67.051
1.00
66.67
O

ATOM
728
OE2
GLU A
98
30.933
5.215
67.549
1.00
67.69
O

ATOM
729
C
GLU A
98
33.163
1.358
63.633
1.00
53.08
C

ATOM
730
O
GLU A
98
34.269
1.672
63.132
1.00
53.17
O

ATOM
731
N
TYR A
99
32.165
0.793
62.955
1.00
51.47
C

ATOM
732
CA
TYR A
99
32.331
0.411
61.560
1.00
51.47
C

ATOM
733
CB
TYR A
99
31.964
−1.064
61.357
1.00
50.77
C

ATOM
734
CG
TYR A
99
32.913
−2.108
61.912
1.00
48.96
C

ATOM
735
CD1
TYR A
99
33.801
−2.756
61.088
1.00
48.94
C

ATOM
736
CE1
TYR A
99
34.648
−3.703
61.561
1.00
44.83
C

ATOM
737
CZ
TYR A
99
34.624
−4.034
62.869
1.00
42.94
C

ATOM
738
OH
TYR A
99
35.489
−5.017
63.303
1.00
42.01
O

ATOM
739
CE2
TYR A
99
33.744
−3.420
63.718
1.00
43.83
C

ATOM
740
CD2
TYR A
99
32.893
−2.477
63.243
1.00
46.66
C

ATOM
741
C
TYR A
99
31.374
1.276
60.756
1.00
51.78
C

ATOM
742
O
TYR A
99
30.164
1.224
60.991
1.00
51.80
O

ATOM
743
N
LYS A
100
31.890
2.062
59.815
1.00
51.71
N

ATOM
744
CA
LYS A
100
31.014
2.859
58.952
1.00
52.50
C

ATOM
745
CB
LYS A
100
31.786
4.025
58.351
1.00
52.43
C

ATOM
746
CG
LYS A
100
32.296
5.042
59.328
1.00
54.03
C

ATOM
247
CD
LYS A
100
33.325
5.873
58.587
1.00
56.76
C

ATOM
748
CE
LYS A
100
33.151
7.372
58.847
1.00
57.66
C

ATOM
749
NZ
LYS A
100
34.186
8.123
58.057
1.00
57.52
N

ATOM
750
C
LYS A
100
30.422
2.069
57.772
1.00
52.63
C

ATOM
751
O
LYS A
100
31.122
1.327
57.079
1.00
53.07
C

ATOM
752
N
PHE A
101
29.149
2.272
57.492
1.00
52.42
N

ATOM
753
CA
PHE A
101
28.639
1.852
56.200
1.00
52.16
C

ATOM
754
CB
PHE A
101
27.697
0.681
56.354
1.00
51.64
C

ATOM
755
CG
PHE A
101
26.475
1.004
57.120
1.00
50.64
C

ATOM
756
CD1
PHE A
101
25.364
1.537
56.479
1.00
51.12
C

ATOM
757
CE1
PHE A
101
24.207
1.845
57.182
1.00
49.52
C

ATOM
758
CZ
PHE A
101
24.140
1.599
58.537
1.00
49.04
C

ATOM
759
CE2
PHE A
101
25.266
1.052
59.203
1.00
50.02
C

ATOM
760
CD2
PHE A
101
26.425
0.788
58.490
1.00
48.81
C

ATOM
761
C
PHE A
101
27.876
2.974
55.523
1.00
52.77
C

ATOM
762
O
PHE A
101
27.346
3.895
56.201
1.00
52.73
O

ATOM
763
N
GLY A
102
27.798
2.859
54.194
1.00
52.52
N

ATOM
764
CA
GLY A
102
27.037
3.795
53.367
1.00
52.44
C

ATOM
765
C
GLY A
102
26.524
3.246
52.046
1.00
51.53
C

ATOM
765
O
GLY A
102
27.275
2.828
51.177
1.00
51.25
O

ATOM
767
N
PHE A
103
25.227
3.244
51.902
1.00
51.44
N

ATOM
768
CA
PHE A
103
24.656
2.891
50.640
1.00
52.46
C

ATOM
769
CB
PHE A
103
24.154
1.453
50.658
1.00
51.37
C

ATOM
770
CG
PHE A
103
23.070
1.223
51.642
1.00
49 43
C

ATOM
771
CD1
PHE A
103
21.746
1.439
51.291
1.00
45.71
C

ATOM
772
CE1
PHE A
103
20.742
1.237
52.224
1.00
47.34
C

ATOM
773
CZ
PHE A
103
21.062
0.809
53.637
1.00
47.02
C

ATOM
774
CE2
PHE A
103
22.374
0.600
53.887
1.00
47.04
C

ATOM
775
CD2
PHE A
103
23.373
0.816
52.946
1.00
48.15
C

ATOM
776
C
PHE A
103
23.541
3.885
50.307
1.00
53.73
C

ATOM
777
O
PHE A
103
23.039
4.617
51.171
1.00
52.89
O

ATOM
778
N
GLU A
104
23.184
3.919
49.034
1.00
55.94
N

ATOM
779
CA
GLU A
104
22.304
4.970
48.539
1.00
58.52
C

ATOM
780
CB
GLU A
104
23.094
6.114
47.864
1.00
58.36
C

ATOM
781
CG
GLU A
104
23.233
6.020
46.355
1.00
61.22
C

ATOM
782
CD
GLU A
104
24.171
7.085
45.833
1.00
67.42
C

ATOM
783
OE1
GLU A
104
23.735
7.980
45.059
1.00
67.59
O

ATOM
784
OE2
GLU A
104
25.359
7.055
46.237
1.00
70.55
O

ATOM
785
C
GLU A
104
21.289
4.345
47.606
1.00
58.79
C

ATOM
786
O
GLU A
104
21.657
3.728
46.593
1.00
59.15
O

ATOM
787
N
LEU A
105
20.021
4.503
47.979
1.00
59.21
N

ATOM
788
CA
LEU A
105
18.921
3.833
47.306
1.00
59.60
C

ATOM
789
CB
LEU A
105
17.602
4.214
47.986
1.00
59.45
C

ATOM
790
CG
LEU A
105
17.604
3.915
49.498
1.00
59.15
C

ATOM
791
CD1
LEU A
105
17.030
5.069
50.308
1.00
56.99
C

ATOM
792
CD2
LEU A
105
16.889
2.582
49.813
1.00
58.28
C

ATOM
793
C
LEU A
105
18.884
4.148
45.807
1.00
00.25
C

ATOM
794
O
LEU A
105
19.446
5.184
45.356
1.00
59.78
O

ATOM
795
N
PRO A
106
18.243
3.245
45.021
1.00
60.72
N

ATOM
796
CA
PRO A
106
18.004
3.537
43.621
1.00
60.95
C

ATOM
797
CB
PRO A
106
17.475
2.217
43.085
1.00
61.01
C

ATOM
798
CG
PRO A
106
16.755
1.651
44.228
1.00
60.35
C

ATOM
799
CD
PRO A
106
17.681
1.933
45.382
1.00
60.80
C

ATOM
800
C
PRO A
106
16.912
4.581
43.522
1.00
60.92
C

ATOM
801
O
PRO A
105
15.948
4.581
44.274
1.00
60.87
O

ATOM
802
N
GLN A
107
17.089
5.495
42.599
1.00
61.40
N

ATOM
803
CA
GLN A
107
16.022
6.363
42.175
1.00
61.20
C

ATOM
804
CB
GLN A
107
16.617
7.297
41.160
1.00
58.91
C

ATOM
805
CG
GLN A
107
18.110
7.396
41.452
1.00
54.81
C

ATOM
806
CD
GLN A
107
18.524
8.811
41.297
1.00
51.93
C

ATOM
807
OE1
GLN A
107
18.547
9.507
42.288
1.00
47.12
O

ATOM
808
NE2
GLN A
107
18.799
9.206
40.029
1.00
51.92
N

ATOM
809
C
GLN A
107
14.987
5.505
41.476
1.00
62.96
C

ATOM
810
O
GLN A
107
15.276
4.355
41.055
1.00
63.61
O

ATOM
811
N
GLY A
108
13.794
6.059
41.306
1.00
63.90
N

ATOM
812
CA
GLY A
108
12.728
5.259
40.746
1.00
65.37
C

ATOM
813
C
GLY A
108
11.926
4.701
41.908
1.00
66.40
C

ATOM
814
O
GLY A
108
12.025
5.207
43.037
1.00
65.66
O

ATOM
815
N
PRO A
109
11.128
3.645
41.643
1.00
67.35
N

ATOM
816
CA
PRO A
109
10.190
3.241
42.696
1.00
67.64
C

ATOM
817
CB
PRO A
109
9.232
2.233
41.994
1.00
67.75
C

ATOM
818
CG
PRO A
109
10.017
1.686
40.811
1.00
67.56
C

ATOM
819
CD
PRO A
109
11.096
2.741
40.463
1.00
67.58
C

ATOM
820
C
PRO A
109
10.979
2.549
43.785
1.00
67.25
C

ATOM
821
O
PRO A
109
12.051
1.978
43.524
1.00
67.61
O

ATOM
822
N
LEU A
110
10.410
2.635
45.001
1.00
66.61
N

ATOM
823
CA
LEU A
110
10.984
1.822
46.076
1.00
65.64
C

ATOM
824
CB
LEU A
110
11.402
2.716
47.244
1.00
65.62
C

ATOM
825
CG
LEU A
110
12.481
3.674
46.673
1.00
66.33
C

ATOM
826
CD1
LEU A
110
12.698
4.943
47.482
1.00
64.63
C

ATOM
827
CD2
LEU A
110
13.828
2.964
46.369
1.00
66.00
C

ATOM
828
C
LEU A
110
9.895
0.789
46.356
1.00
64.73
C

ATOM
829
O
LEU A
110
10.011
−0.093
47.211
1.00
63.24
O

ATOM
830
N
GLY A
111
8.845
0.900
45.552
1.00
64.65
N

ATOM
831
CA
GLY A
111
7.781
−0.087
45.548
1.00
65.28
C

ATOM
832
C
GLY A
111
6.866
−0.109
46.770
1.00
64.79
C

ATOM
833
O
GLY A
111
6.410
−1.190
47.180
1.00
54.93
O

ATOM
834
N
THR A
112
6.610
1.073
47.344
1.00
63.87
N

ATOM
835
CA
THR A
112
5.570
1.280
48.357
1.00
51.96
C

ATOM
836
CB
THR A
112
5.535
2.779
48.824
1.00
59.68
C

ATOM
837
OG1
THR A
112
5.376
3.597
47.651
1.00
50.69
O

ATOM
838
OG2
THR A
112
6.849
3.212
49.587
1.00
57.65
O

ATOM
839
C
THR A
112
4.222
1.042
47.684
1.00
64.74
C

ATOM
840
O
THR A
112
3.259
0.600
48.314
1.00
63.81
O

ATOM
841
C
SER A
113
4.193
1.367
46.377
1.00
67.42
N

ATOM
842
CA
SER A
113
2.977
1.627
45.584
1.00
69.82
C

ATOM
843
CB
SER A
113
3.162
1.184
44.121
1.00
69.58
C

ATOM
844
OG
SER A
113
3.722
−0.115
44.037
1.00
70.30
O

ATOM
845
C
SER A
113
1.692
1.068
46.196
1.00
71.57
C

ATOM
846
O
SER A
113
0.761
1.841
46.507
1.00
72.45
O

ATOM
847
N
PHE A
114
1.665
−0.257
45.395
1.00
73.39
N

ATOM
848
CA
PHE A
114
0.537
−1.948
47.048
1.00
74.48
C

ATOM
849
CB
PHE A
114
0.130
−2.208
46.290
1.00
74.58
C

ATOM
850
CG
PHE A
114
−0.187
−1.975
44.853
1.00
74.32
C

ATOM
851
CD1
PHE A
114
−1.504
−1.960
44.426
1.00
74.70
C

ATOM
852
CE1
PHE A
114
−1.807
−1.750
43.104
1.00
75.28
C

ATOM
853
CZ
PHE A
114
−0.778
−1.565
42.177
1.00
76.10
C

ATOM
854
CE2
PHE A
114
0.546
−1.569
42.597
1.00
75.94
C

ATOM
855
CD2
PHE A
114
0.832
−1.778
43.928
1.00
74.60
C

ATOM
856
C
PHE A
114
0.824
−1.350
48.480
1.00
75.19
C

ATOM
857
O
PHE A
114
0.248
−2.341
48.952
1.00
75.75
O

ATOM
858
N
LYS A
115
1.701
−0.603
49.167
1.00
75.53
N

ATOM
859
CA
LYS A
155
1.748
−0.651
50.644
1.00
75.71
C

ATOM
860
CB
LYS A
115
2.878
0.213
51.267
1.00
75.72
C

ATOM
861
CG
LYS A
115
2.756
1.743
51.064
1.00
76.11
C

ATOM
862
CD
LYS A
115
3.375
2.567
52.203
1.00
77.59
C

ATOM
863
CE
LYS A
115
3.474
4.064
51.789
1.00
77.69
C

ATOM
864
NZ
LYS A
115
2.950
4.950
52.897
1.00
75.93
N

ATOM
865
C
LYS A
115
0.368
0.165
51.091
1.00
75.19
C

ATOM
866
O
LYS A
115
0.196
0.985
51.548
1.00
75.82
O

ATOM
867
N
GLY A
116
−0.617
−1.037
50.911
1.00
73.75
N

ATOM
868
CA
GLY A
116
−1.983
−0.699
51.202
1.00
72.25
C

ATOM
869
C
GLY A
116
−2.593
−1.944
51.761
1.00
71.20
C

ATOM
870
O
GLY A
116
−1.906
−2.788
52.338
1.00
71.14
O

ATOM
871
N
LYS A
117
−3.895
−2.056
51.558
1.00
70.18
N

ATOM
872
CA
LYS A
117
−4.661
−3.244
51.898
1.00
69.03
C

ATOM
873
CB
LYS A
117
−6.128
−2.981
51.495
1.00
68.43
C

ATOM
874
CG
LYS A
117
−6.912
−4.148
50.956
1.00
67.86
C

ATOM
875
CD
LYS A
117
−7.977
−3.658
49.968
1.00
66.92
C

ATOM
876
CE
LYS A
117
−9.275
−4.443
50.122
1.00
67.26
C

ATOM
877
NZ
LYS A
117
−9.044
−5.849
50.623
1.00
65.60
N

ATOM
878
C
LYS A
117
−4.059
−4.517
51.239
1.00
68.43
C

ATOM
879
O
LYS A
117
−4.273
−5.636
51.716
1.00
68.02
O

ATOM
880
N
TYR A
118
−3.292
−4.336
50.163
1.00
67.71
N

ATOM
881
CA
TYR A
118
−2.911
−5.457
49.320
1.00
67.60
C

ATOM
882
CB
TYR A
118
−3.291
−5.192
47.857
1.00
67.03
C

ATOM
883
CG
TYR A
118
−4.769
−5.353
47.566
1.00
64.39
C

ATOM
884
CD1
TYR A
118
−5.374
−6.611
47.639
1.00
62.66
C

ATOM
885
CE1
TYR A
118
−6.176
−6.782
47.396
1.00
60.65
C

ATOM
886
CA
TYR A
118
−7.477
−5.692
47.039
1.00
62.47
C

ATOM
887
OH
TYR A
118
−8.812
−5.898
46.783
1.00
64.33
O

ATOM
888
CE2
TYR A
118
−6.913
−4.422
46.919
1.00
61.50
C

ATOM
889
CD2
TYR A
118
−5.559
−4.257
47.194
1.00
62.33
C

ATOM
890
C
TYR A
118
1.441
5.823
49.440
1.00
68.32
C

ATOM
891
O
TYR A
118
−1.077
−6.980
49.323
1.00
68.02
O

ATOM
892
N
GLY A
119
−0.597
−4.826
49.671
1.00
69.18
N

ATOM
893
CA
GLY A
119
0.831
−5.076
49.792
1.00
9.91
C

ATOM
894
C
GLY A
119
1.479
−4.448
51.015
1.00
70.31
C

ATOM
895
O
GLY A
119
0.801
−3.833
51.850
1.00
70.04
O

ATOM
896
N
CYS A
120
2.805
−4.621
51.093
1.00
70.59
N

ATOM
897
CA
CYS A
120
3.662
−4.027
52.129
1.00
70.68
C

ATOM
898
CB
CYS A
120
3.491
−4.738
53.462
1.00
70.59
C

ATOM
899
SG
CYS A
120
3.938
−6.451
53.304
1.00
75.20
S

ATOM
900
C
CYS A
120
5.134
−4.089
51.693
1.00
69.71
C

ATOM
901
O
CYS A
120
5.492
−4.989
50.835
1.00
69.81
O

ATOM
902
N
VAL A
121
5.958
−3.238
52.313
1.00
68.66
N

ATOM
903
CA
VAL A
121
7.322
−2.939
51.889
1.00
67.86
C

ATOM
904
CB
VAL A
121
7.375
−1.541
51.195
1.00
67.45
C

ATOM
905
CG1
VAL A
121
6.990
−0.427
52.171
1.00
68.07
C

ATOM
906
CG2
VAL A
121
8.723
−1.264
50.588
1.00
65.97
C

ATOM
907
C
VAL A
121
8.354
−3.058
53.067
1.00
67.75
C

ATOM
908
O
VAL A
121
8.260
−2.353
54.090
1.00
68.27
O

ATOM
909
N
ASP A
122
9.334
−3.953
52.918
1.00
66.60
N

ATOM
910
CA
ASP A
122
10.304
−4.220
53.990
1.00
65.13
C

ATOM
911
CB
ASP A
122
10.401
−5.725
54.297
1.00
65.76
C

ATOM
912
CG
ASP A
122
9.319
−6.212
55.252
1.00
67.89
C

ATOM
913
OD1
ASP A
122
9.287
−7.446
55.501
1.00
70.93
O

ATOM
914
OD2
ASP A
122
8.509
−5.379
55.750
1.00
70.15
O

ATOM
915
C
ASP A
122
11.892
−3.683
53.686
1.00
63.01
C

ATOM
916
O
ASP A
122
12.355
−4.138
57.752
1.00
63.45
O

ATOM
917
N
TYR A
123
12.127
−2.718
54.475
1.00
60.10
N

ATOM
918
CA
TYR A
123
13.509
−2.343
54.458
1.00
58.02
C

ATOM
919
CB
TYR A
123
13.660
−0.876
54.084
1.00
57.79
C

ATOM
920
CG
TYR A
123
13.480
−0.623
52.624
1.00
58.06
C

ATOM
921
CD1
TYR A
123
14.458
0.008
51.889
1.00
60.74
C

ATOM
922
CE1
TYR A
123
14.302
0.257
50.529
1.00
61.47
C

ATOM
923
CZ
TYR A
123
13.147
−0.149
49.894
1.00
62.57
C

ATOM
924
OH
TYR A
123
12.959
0.999
48.540
1.00
61.73
O

ATOM
925
CE2
TYR A
123
12.163
−0.794
50.618
1.00
61.81
C

ATOM
926
CD2
TYR A
123
12.337
−1.019
51.972
1.00
60 22
C

ATOM
927
C
TYR A
123
14.175
−2.673
−55.781
1.00
56.49
C

ATOM
928
O
TYR A
123
13.521
−2.746
56.289
1.00
56.57
O

ATOM
929
N
TRP A
124
15.472
−2.924
55.703
1.00
54.41
N

ATOM
930
CA
TRP A
124
16.321
−3.085
56.868
1.00
52.86
C

ATOM
931
CB
TRP A
124
15.908
−4.252
57.717
1.00
53.40
C

ATOM
932
CG
TRP A
124
15.496
−5.421
56.963
1.00
55.74
C

ATOM
933
CD1
TRP A
124
14.223
−5.807
56.735
1.00
58.43
C

ATOM
934
NE1
TRP A
124
14.202
−6.960
55.984
1.00
59.55
N

ATOM
935
CE2
TRP A
124
15.486
−7.353
55.732
1.00
57.45
C

ATOM
936
CD2
TRP A
124
16.338
−6.388
56.316
1.00
57.72
C

ATOM
937
CE3
TRP A
124
17.724
−6.550
56.191
1.00
59.54
C

ATOM
938
CZ3
TRP A
124
18.202
−7.667
55.476
1.00
58.58
C

ATOM
939
CH2
TRP A
124
17.312
−8.589
54.903
1.00
56.56
C

ATOM
940
CZ2
TRP A
124
15.963
−8.449
55.019
1.00
54.96
C

ATOM
941
C
TRP A
124
17.747
−3.306
56.462
1.00
51.27
C

ATOM
942
O
TRP A
124
18.078
−3.376
55.266
1.00
51.33
O

ATOM
943
N
VAL A
125
18.579
−3.422
57.486
1.00
49.31
N

ATOM
944
CA
VAL A
125
19.999
−3.676
57.352
1.00
47.39
C

ATOM
945
CB
VAL A
125
20.783
−2.419
57.745
1.00
46.41
C

ATOM
946
CG1
VAL A
125
22.216
−2.694
57.839
1.00
45.15
C

ATOM
947
CG2
VAL A
125
20.515
−1.289
56.781
1.00
45.18
C

ATOM
948
C
VAL A
125
20.280
−4.783
58.347
1.00
47.30
C

ATOM
949
O
VAL A
125
19.973
−4.638
59.522
1.00
47.36
O

ATOM
950
N
LYS A
126
20.824
−5.912
57.895
1.00
47.28
N

ATOM
951
CA
LYS A
126
21.467
−6.480
58.832
1.00
46.83
C

ATOM
952
CB
LYS A
126
21.238
−8.262
58.428
1.00
46.63
C

ATOM
953
CG
LYS A
126
19.797
8.666
58.521
1.00
51.37
C

ATOM
954
CD
LYS A
126
19.736
−10.189
58.480
1.00
59.34
C

ATOM
955
CE
LYS A
126
18.284
−10.739
58.441
1.00
63.41
C

ATOM
956
NZ
LYS A
126
17.689
−10.623
57.051
1.00
64.68
N

ATOM
957
C
LYS A
126
22.947
−6.555
58.814
1.00
45.95
C

ATOM
958
O
LYS A
126
23.486
−6.215
57.754
1.00
46.16
O

ATOM
959
N
ALA A
127
23.586
−6.628
59.987
1.00
45.15
N

ATOM
960
CA
ALA A
127
20.058
−6.663
60.114
1.00
43.96
C

ATOM
961
CB
ALA A
127
25.543
−5.654
61.060
1.00
43.16
C

ATOM
962
C
ALA A
127
25.395
−8.008
60.645
1.00
43.28
C

ATOM
963
O
ALA A
127
24.597
−8.585
61.356
1.00
42.75
O

ATOM
964
N
PHE A
128
26.577
−8.511
60.316
1.00
43.39
N

ATOM
965
CA
PHE A
128
26.982
−9.833
60.783
1.00
43.64
C

ATOM
966
CB
PHE A
128
27.012
−10.815
59.652
1.00
43.26
C

ATOM
967
CG
PHE A
128
25.730
−10.893
58.870
1.00
45.36
C

ATOM
968
CD1
PHE A
128
24.807
−11.892
59.127
1.00
46.34
C

ATOM
969
CE1
PHE A
128
23.629
−12.002
58.353
1.00
45.83
C

ATOM
970
CZ
PHE A
128
23.373
−11.108
57.323
1.00
45.94
C

ATOM
971
CE2
PHE A
128
24.275
−10.069
57.062
1.00
45.74
C

ATOM
972
CD2
PHE A
128
25.451
−9.971
57.838
1.00
47.03
C

ATOM
973
C
PHE A
128
28.337
−9.784
61.435
1.00
43.80
C

ATOM
974
O
PHE A
128
29.248
−9.117
60.921
1.00
44.70
O

ATOM
975
N
LEU A
129
28.445
−10.443
62.58
1.00
43.27
N

ATOM
976
CA
LEU A
129
29.718
−10.630
63.275
1.00
43.61
C

ATOM
977
CB
LEU A
129
29.565
−10.323
64.738
1.00
43.32
C

ATOM
978
CG
LEU A
129
30.855
−10.323
65.532
1.00
45.38
C

ATOM
979
CD1
LEU A
129
31.740
−9.131
65.158
1.00
47.40
C

ATOM
980
CD2
LEU A
129
30.556
−10.284
67.026
1.00
47.28
C

ATOM
981
C
LEU A
129
30.233
−12.069
63.116
1.00
44.59
C

ATOM
982
O
LEU A
129
29.595
−13.077
63.578
1.00
44.88
O

ATOM
983
N
ASP A
130
31.373
−12.169
62.444
1.00
44.56
N

ATOM
984
CA
ASP A
130
31.926
−13.444
62.116
1.00
45.48
C

ATOM
985
CB
ASP A
130
32.482
−13.409
60.691
1.00
45.46
C

ATOM
986
CG
ASP A
130
31.386
−13.409
59.608
1.00
46.91
C

ATOM
987
OD1
ASP A
130
30.295
−13.297
59.906
1.00
47.29
O

ATOM
988
OD2
ASP A
130
31.621
−12.902
58.454
1.00
46.55
O

ATOM
989
C
ASP A
130
33.035
−13.567
63.139
1.00
46.74
C

ATOM
990
O
ASP A
130
33.789
−12.629
63.305
1.00
46.78
O

ATOM
991
N
ARG A
131
33.108
−14.684
63.863
1.00
48.38
N

ATOM
992
CA
ARG A
131
34.154
−14.896
64.882
1.00
50.35
C

ATOM
993
CB
ARG A
131
33.600
−14.727
66.285
1.00
50.63
C

ATOM
994
CG
ARG A
131
33.682
−13.326
66.873
1.00
52.90
C

ATOM
995
CD
ARG A
131
32.606
−13.196
67.940
1.00
53.29
C

ATOM
996
NE
ARG A
131
32.836
−14.214
68.939
1.00
53.15
N

ATOM
997
CZ
ARG A
131
31.978
−14.553
59.888
1.00
55.32
C

ATOM
998
NH1
ARG A
131
30.801
−13.944
69.985
1.00
52.60
N

ATOM
999
NH2
ARG A
131
32.314
−15.520
70.741
1.00
56.01
N

ATOM
1000
C
ARG A
131
34.627
−16.323
64.809
1.00
51.56
C

ATOM
1001
O
ARG A
131
33.782
−17.223
64.716
1.00
52.89
O

ATOM
1002
N
PRO A
132
35.952
−16.559
64.938
1.00
51.90
N

ATOM
1003
CA
PRO A
132
36.495
−17.887
64.686
1.00
52.18
C

ATOM
1004
CB
PRO A
132
37.976
−17.723
65.083
1.00
52.08
C

ATOM
1005
CG
PRO A
132
38.041
−16.528
65.928
1.00
51.15
C

ATOM
1006
CD
PRO A
132
37.011
−15.623
65.373
1.00
51.97
C

ATOM
1007
C
PRO A
132
35.796
−18.998
65.510
1.00
53.09
C

ATOM
1008
O
PRO A
132
35.544
−18.810
66.705
1.00
53.11
O

ATOM
1009
N
SER A
133
35.748
−20.126
64.868
1.00
53.87
N

ATOM
1010
CA
SER A
133
34.775
−21.238
65.522
1.00
55.66
C

ATOM
1011
CB
SER A
133
35.649
−21.932
66.561
1.00
55.54
C

ATOM
1012
OG
SER A
133
36.963
−22.210
66.089
1.00
58.47
O

ATOM
1013
C
SER A
133
33.477
−20.826
66.223
1.00
56.70
C

ATOM
1014
O
SER A
133
33.103
−21.424
67.249
1.00
57.46
O

ATOM
1015
N
GLN A
134
32.791
−19.814
65.692
1.00
56.44
N

ATOM
1016
CA
GLN A
134
31.506
−19.419
66.243
1.00
56.38
C

ATOM
1017
CB
GLN A
134
31.629
−18.053
66.856
1.00
56.51
C

ATOM
1018
CG
GLN A
134
32.567
−18.049
68.033
1.00
60.38
C

ATOM
1019
CD
GLN A
134
31.959
−18.676
69.725
1.00
64.16
C

ATOM
1020
OE1
GLN A
134
30.744
−19.081
69.309
1.00
63.10
O

ATOM
1021
NE2
GLN A
134
32.773
−18.754
70.319
1.00
66.11
N

ATOM
1022
C
GLN A
134
30.44
−19.734
65.173
1.00
55.50
C

ATOM
1023
O
GLN A
134
30.773
−10.201
64.006
1.00
65.61
O

ATOM
1024
N
PRO A
135
29.170
−19.555
65.545
1.00
55.19
N

ATOM
1025
CA
PRO A
135
28.236
−19.716
64.476
1.00
54.67
C

ATOM
1026
CB
PRO A
135
26.893
−19.819
64.899
1.00
54.25
C

ATOM
1027
CG
PRO A
135
27.233
−20.664
66.161
1.00
55.45
C

ATOM
1028
CD
PRO A
135
28.480
−20.063
66.745
1.00
54.68
C

ATOM
1029
C
PRO A
135
28.173
−17.644
64.382
1.00
54.16
C

ATOM
1030
O
PRO A
135
28.271
−16.898
65.378
1.00
53.02
O

ATOM
1031
N
THR A
136
28.065
−17.157
63.173
1.00
54.06
N

ATOM
1032
CA
THR A
136
28.037
−15.731
63.080
1.00
54.77
C

ATOM
1033
CB
THR A
136
27.955
−15.235
61.615
1.00
55.05
C

ATOM
1034
OG1
THR A
136
26.632
−14.762
61.238
1.00
52.88
O

ATOM
1035
OG2
THR A
136
28.433
−16.358
60.588
1.00
55.12
O

ATOM
1036
C
THR A
136
26.825
−15.305
63.897
1.00
54.83
C

ATOM
1037
O
THR A
136
25.764
−15.938
63.845
1.00
54.23
O

ATOM
1038
N
GLN A
137
27.003
14.247
64.672
1.00
55.01
N

ATOM
1039
CA
GLN A
137
25.903
−13.616
65.362
1.00
54.54
C

ATOM
1040
CB
GLN A
137
26.454
−12.871
66.551
1.00
54.59
C

ATOM
1041
CG
GLN A
137
25.372
−12.340
67.492
1.00
56.77
C

ATOM
1042
CD
GLN A
137
25.951
−11.511
68.611
1.00
57.13
C

ATOM
1043
OE1
GLN A
137
27.134
−11.666
68.971
1.00
58.01
O

ATOM
1044
NR2
GLN A
137
25.143
−10.612
69.154
1.00
56.33
N

ATOM
1045
C
GLN A
137
25.281
−12.633
64.390
1.00
54.33
C

ATOM
1046
O
GLN A
137
25.984
−12.157
63.513
1.00
55.02
O

ATOM
1047
N
GLU A
138
23.994
−12.316
64.514
1.00
53.90
N

ATOM
1048
CA
GLU A
138
23.468
−11.238
63.682
1.00
54.24
C

ATOM
1049
CB
GLU A
138
22.905
−11.784
62.362
1.00
54.62
C

ATOM
1050
CG
GLU A
138
21.401
−11.889
62.268
1.00
57.47
C

ATOM
1051
CD
GLU A
138
20.946
−13.016
61.324
1.00
64.03
C

ATOM
1052
OE1
GLU A
138
21.134
−14.231
61.654
1.00
65.38
O

ATOM
1053
OE2
GLU A
138
20.391
−12.687
60.244
1.00
67.38
O

ATOM
1054
C
GLU A
138
22.516
−10.217
64.367
1.00
53.87
C

ATOM
1055
O
GLU A
138
21.853
−10.530
65.334
1.00
54.04
O

ATOM
1056
N
THR A
139
22.490
−8.993
63.840
1.00
53.03
N

ATOM
1057
CA
THR A
139
21.601
−7.933
64.282
1.00
51.77
C

ATOM
1058
CB
THR A
139
22.368
−6.849
65.032
1.00
51.29
C

ATOM
1059
OG1
THR A
139
21.441
−6.012
65.706
1.00
49.02
O

ATOM
1060
CG2
THR A
139
23.136
−5.989
64.101
1.00
50.58
C

AOTM
1061
C
THR A
139
20.836
−7.305
63.095
1.00
52.35
C

ATOM
1062
O
THR A
139
21.433
−6.848
62.112
1.00
52.83
O

ATOM
1063
N
LYS A
140
19.513
−7.266
63.192
1.00
52.24
N

ATOM
1064
CA
LYS A
140
18.677
−6.840
52.071
1.00
52.40
C

ATOM
1065
CB
LYS A
140
17.623
−7.947
61.744
1.00
52.77
C

ATOM
1066
CG
LYS A
140
16.680
−7.636
80.577
1.00
52.31
C

ATOM
1067
CD
LYS A
140
15.453
−8.553
60.492
1.00
53.71
C

ATOM
1068
CE
LYS A
140
14.692
−8.232
59.179
1.00
54.03
C

ATOM
1069
NZ
LYS A
140
13.239
−8.544
59.225
1.00
55.01
N

ATOM
1070
C
LYS A
140
18.009
−5.525
62.455
1.00
51.70
C

ATOM
1071
O
LYS A
140
17.394
−5.452
63.510
1.00
52.08
O

ATOM
1072
N
LYS A
141
18.115
−4.503
61.613
1.00
51.15
N

ATOM
1073
CA
LYS A
141
17.495
−3.196
61.920
1.00
51.64
C

ATOM
1074
CB
LYS A
141
18.542
−2.211
62.429
1.00
50.31
C

ATOM
1075
CG
LYS A
141
18.004
−0.841
62.704
1.00
48.62
C

ATOM
1076
CD
LYS A
141
17.408
−0.798
64.085
1.00
46.35
C

ATOM
1077
CE
LYS A
141
17.747
0.486
64.737
1.00
42.30
C

ATOM
1078
NZ
LYS A
141
17.928
0.180
66.146
1.00
42.43
N

ATOM
1079
C
LYS A
141
16.670
−2.537
60.775
1.00
52.59
C

ATOM
1080
O
LYS A
141
17.239
−2.120
59.723
1.00
53.26
O

ATOM
1081
N
ASN A
142
15.358
−2.358
61.007
1.00
52.58
N

ATOM
1082
CA
ASN A
142
14.449
−1.921
59.970
1.00
52.75
C

ATOM
1083
CB
ASN A
142
13.029
−2.012
60.404
1.00
52.03
C

ATOM
1084
CG
ASN A
142
12.623
−3.524
60.329
1.00
53.18
C

ATOM
1085
OD1
ASN A
142
12.633
−4.134
59.238
1.00
57.06
O

ATOM
1086
ND2
ASN A
142
12.302
−4.106
61.483
1.00
52.20
N

ATOM
1087
C
ASN A
142
14.674
−0.513
59.576
1.00
53.52
C

ATOM
1088
O
ASN A
142
15.365
0.214
60.271
1.00
54.39
O

ATOM
1089
N
PHE A
143
14.144
−0.316
58.424
1.00
54.80
N

ATOM
1090
CA
PHE A
143
14.072
1.207
58.053
1.00
56.00
C

ATOM
1091
CB
PHE A
143
15.435
1.893
57.598
1.00
56.01
C

ATOM
1092
CG
PHE A
143
15.938
1.393
56.255
1.00
57.00
C

ATOM
1093
CD1
PHE A
143
15.876
2.220
55.121
1.00
58.89
C

ATOM
1094
CE1
PHE A
143
16.349
1.769
53.880
1.00
57.80
C

ATOM
1095
CZ
PHE A
143
16.916
0.469
53.774
1.00
57.44
C

ATOM
1096
CE2
PHE A
143
16.990
−0.346
54.897
1.00
56.24
C

ATOM
1097
CD2
PHE A
143
16.498
0.116
56.124
1.00
55.92
C

ATOM
1098
C
PHE A
143
12.895
1.595
57.109
1.00
56.59
C

ATOM
1099
O
PHE A
143
12.192
0.692
56.625
1.00
55.75
O

ATOM
1100
N
GLN A
144
12.637
2.879
56.924
1.00
58.09
N

ATOM
1101
CA
GLN A
144
11.493
3.272
56.126
1.00
60.03
C

ATOM
1102
CB
GLN A
144
10.361
3.941
56.959
1.00
59.59
C

ATOM
1103
CG
GLN A
144
10.116
3.412
58.364
1.00
59.44
C

ATOM
1104
CD
GLN A
144
8.885
2.536
58.526
1.00
58.92
C

ATOM
1105
OE1
GLN A
144
8.924
1.352
58.224
1.00
59.15
O

ATOM
1106
NE2
GLN A
144
7.811
3.100
59.086
1.00
61.18
N

ATOM
1107
C
GLN A
144
11.890
4.199
54.999
1.00
60.94
C

ATOM
1108
O
GLN A
144
12.926
4.879
55.019
1.00
60.23
O

ATOM
1109
N
VAL A
145
10.969
4.245
54.055
1.00
62.71
N

ATOM
1110
CA
VAL A
145
11.120
4.985
52.845
1.00
64.72
C

ATOM
1111
CB
VAL A
145
11.507
3.971
51.841
1.00
65.38
C

ATOM
1112
CG1
VAL A
145
10.617
2.738
51.819
1.00
67.82
C

ATOM
1113
CG2
VAL A
145
11.740
4.633
50.494
1.00
67.93
C

ATOM
1114
C
VAL A
145
9.731
5.448
52.449
1.00
64.72
C

ATOM
1115
O
VAL A
145
8.741
4.880
52.939
1.00
65.42
O

ATOM
1116
N
ASP A
155
−7.628
1.661
43.091
1.00
59.40
N

ATOM
1117
CA
ASP A
155
−7.388
0.510
43.990
1.00
58.92
C

ATOM
1118
CB
ASP A
155
−8.676
−0.317
44.255
1.00
59.48
C

ATOM
1119
CG
ASP A
155
−8.648
−1.454
45.293
1.00
61.20
C

ATOM
1120
OD1
ASP A
155
−8.690
−2.654
44.969
1.00
60.94
O

ATOM
1121
OD2
ASP A
155
−8.100
−1.148
46.460
1.00
65.24
O

ATOM
1122
C
ASP A
55
−6.316
−0.366
43.381
1.00
57.62
C

ATOM
1123
O
ASP A
155
−5.145
−0.079
43.539
1.00
59.13
O

ATOM
1124
N
LEU A
156
−6.699
−1.417
42.660
1.00
55.17
N

ATOM
1125
CA
LEU A
156
−5.751
−2.482
42.311
1.00
53.32
C

ATOM
1126
CB
LEU A
156
−4.897
−2.910
43.501
1.00
52.53
C

ATOM
1127
CG
LEU A
156
−4.473
−4.369
43.195
1.00
51.95
C

ATOM
1128
CD1
LEU A
156
−3.368
−4.503
42.148
1.00
50.19
C

ATOM
1129
CD2
LEU A
156
−4.062
−5.068
44.426
1.00
53.76
C

ATOM
1130
C
LEU A
156
−6.518
−3.706
41.802
1.00
51.71
C

ATOM
1131
O
LEU A
156
−6.067
−4.476
40.898
1.00
50.22
O

ATOM
1132
N
MET A
157
−7.675
−3.885
42.422
1.00
49.87
N

ATOM
1133
CA
MET A
157
−8.678
−4.749
41.879
1.00
49.09
C

ATOM
1134
CB
MET A
157
−9.294
−5.582
42.972
1.00
48.74
C

ATOM
1135
CG
MET A
157
−8.231
−6.355
43.703
1.00
52.48
C

ATOM
1136
SD
MET A
157
−7.860
−7.924
42.873
1.00
59.19
S

ATOM
1137
CE
MET A
157
−6.311
−7.666
42.066
1.00
57.45
C

ATOM
1138
C
MET A
157
−9.692
−3.927
41.104
1.00
48.22
C

ATOM
1139
O
MET A
157
−10.618
−4.500
40.522
1.00
48.38
O

ATOM
1140
N
ALA A
158
−9.461
−2.599
41.084
1.00
47.80
N

ATOM
1141
CA
ALA A
158
−10.226
−1.651
40.225
1.00
48.09
C

ATOM
1142
CB
ALA A
158
−9.903
−0.235
40.594
1.00
47.28
C

ATOM
1143
C
ALA A
158
−9.918
−1.865
38.748
1.00
48.84
C

ATOM
1144
O
ALA A
158
−8.757
−2.194
38.367
1.00
49.05
O

ATOM
1145
N
PRO A
159
−10.944
−1.732
37.904
1.00
48.44
N

ATOM
1146
CA
PRO A
159
−10.733
−1.703
36.471
1.00
48.41
C

ATOM
1147
CB
PRO A
159
−12.119
−1.378
35.926
1.00
47.82
C

ATOM
1148
CG
PRO A
159
−12.983
−2.009
36.849
1.00
48.52
C

ATOM
1149
CD
PRO A
159
−12.369
−1.736
38.207
1.00
48.63
C

ATOM
1150
C
PRO A
159
−9.733
−0.656
36.029
1.00
48.59
C

ATOM
1151
O
PRO A
159
−9.615
0.430
36.634
1.00
47.74
O

ATOM
1152
N
VAL A
160
−9.023
−1.030
34.971
1.00
49.01
N

ATOM
1153
CA
VAL A
160
−8.142
−0.145
34.256
1.00
49.37
C

ATOM
1154
CB
VAL A
160
−6.779
−0.731
34.037
1.00
49.87
C

ATOM
1155
CG1
VAL A
160
−5.788
0.411
33.739
1.00
51.02
C

ATOM
1156
CG2
VAL A
160
6.340
−1.592
35.260
1.00
48.82
C

ATOM
1157
C
VAL A
160
−8.724
0.045
32.899
1.00
49.57
C

ATOM
1158
O
VAL A
160
−9.312
−0.868
32.318
1.00
50.30
O

ATOM
1159
N
SER A
161
−8.566
1.259
32.201
1.00
49.18
N

ATOM
1160
CA
SER A
161
−9.042
1.632
31.096
1.00
48.04
C

ATOM
1161
CB
SER A
161
−10.415
2.189
31.218
1.00
47.96
C

ATOM
1162
OG
SER A
161
−10.208
3.532
31.535
1.00
49.21
O

ATOM
1163
C
SER A
161
−8.120
2.768
30.665
1.00
47.41
C

ATOM
1164
O
SER A
161
−7.627
3.517
31.523
1.00
46.55
O

ATOM
1165
N
ALA A
162
−7.872
2.877
29.349
1.00
46.08
N

ATOM
1166
CA
ALA A
162
−6.943
3.869
28.807
1.00
44.11
C

ATOM
1167
CB
ALA A
162
−5.531
3.380
28.918
1.00
42.91
C

ATOM
1168
C
ALA A
162
−7.309
4.164
27.363
1.00
44.12
C

ATOM
1169
O
ALA A
162
−7.917
3.327
26.673
1.00
43.80
O

ATOM
1170
N
LYS A
163
−6.497
5.356
26.890
1.00
43.83
N

ATOM
1171
CA
LYS A
163
−7.161
5.673
25.496
1.00
43.62
C

ATOM
1172
CB
LYS A
163
−8.557
6.265
25.305
1.00
44.12
C

ATOM
1173
CG
LYS A
163
−8.625
7.735
25.019
1.00
51.27
C

ATOM
1174
CD
LYS A
163
−8.944
8.617
26.230
1.00
59.18
C

ATOM
1175
CE
LYS A
163
−8.880
10.121
25.844
1.00
64.28
C

ATOM
1176
NZ
LYS A
163
−9.379
10.375
24.420
1.00
66.41
N

ATOM
1177
C
LYS A
163
− 6.021
6.439
24.841
1.00
42.11
C

ATOM
1178
O
LYS A
163
−5.299
7.135
25.488
1.00
41.71
O

ATOM
1179
N
LYS A
164
−5.816
6.271
23.546
1.00
42.54
N

ATOM
1180
CA
LYS A
164
−4.972
7.055
22.811
1.00
42.36
C

ATOM
1181
CB
LYS A
164
−3.432
6.403
22.806
1.00
41.43
C

ATOM
1182
CG
LYS A
164
−2.281
7.357
22.589
1.00
44.25
C

ATOM
1183
CD
LYS A
164
−1.455
4.503
23.896
1.00
51.77
C

ATOM
1184
CE
LYS A
164
0.104
7.570
23.687
1.00
53.80
C

ATOM
1185
NZ
LYS A
164
0.723
6.200
23.487
1.00
54.32
N

ATOM
1186
C
LYS A
164
−5.211
7.289
21.375
1.00
42.89
C

ATOM
1187
O
LYS A
164
−5.750
6.379
20.716
1.00
42.52
O

ATOM
1188
N
GLU A
165
−4.977
8.531
20.923
1.00
43.44
N

ATOM
1189
CA
GLU A
165
−5.198
8.963
19.554
1.00
43.48
C

ATOM
1190
CB
GLU A
165
−6.255
10.014
19.481
1.00
44.07
C

ATOM
1191
CG
GLU A
165
−7.071
9.817
18.424
1.00
49.74
C

ATOM
1192
CD
GLU A
165
−8.161
10.814
18.126
1.00
56.98
C

ATOM
1193
OE1
GLU A
165
−8.067
11.789
18.908
1.00
62.45
O

ATOM
1194
OE2
GLU A
165
−9.075
10.638
17.269
1.00
57.43
O

ATOM
1195
C
GLU A
165
−3.959
9.529
18.946
1.00
42.69
C

ATOM
1196
O
GLU A
165
−3.168
10.153
19.625
1.00
42.94
O

ATOM
1197
N
LYS A
166
−3.780
9.297
17.655
1.00
43.23
N

ATOM
1198
CA
LYS A
166
−2.612
9.803
16.927
1.00
43.74
C

ATOM
1199
CB
LYS A
166
−1.515
8.733
16.754
1.00
44.24
C

ATOM
1200
CG
LYS A
166
−0.330
9.187
15.917
1.00
47.92
C

ATOM
1201
CD
LYS A
166
0.973
9.414
16.701
1.00
54.62
C

ATOM
1202
CE
LYS A
166
1.842
8.089
16.816
1.00
59.14
C

ATOM
1203
NZ
LYS A
166
2.193
7.424
15.481
1.00
59.27
N

ATOM
1204
C
LYS A
166
−3.089
10.260
15.585
1.00
42.58
C

ATOM
1205
O
LYS A
166
−3.800
9.540
14.904
1.00
48.08
O

ATOM
1206
N
LYS A
167
−2.178
11.480
15.246
1.00
41.54
N

ATOM
1207
CA
LYS A
167
−2.961
12.057
13.960
1.00
40.53
C

ATOM
1208
CB
LYS A
167
−2.508
13.507
14.006
1.00
40.08
C

ATOM
1209
CG
LYS A
167
−2.493
14.174
12.670
1.00
44.48
C

ATOM
1210
CD
LYS A
167
−1.823
15.570
12.746
1.00
49.40
C

ATOM
1211
CE
LYS A
167
−2.354
16.544
11.648
1.00
49.58
C

ATOM
1212
NZ
LYS A
167
−1.332
17.624
11.469
1.00
51.18
N

ATOM
1213
C
LYS A
167
−2.155
11.273
12.939
1.00
39.29
C

ATOM
1214
O
LYS A
167
−0.987
11.003
13.130
1.00
39.46
O

ATOM
1215
N
VAL A
168
−2.783
10.882
11.853
1.00
38.36
N

ATOM
1216
CA
VAL A
168
−2.086
10.139
10.830
1.00
37.55
C

ATOM
1217
CB
VAL A
168
−2.282
8.619
10.992
1.00
37.74
C

ATOM
1218
CG1
VAL A
168
−1.928
7.868
9.689
1.00
35.78
C

ATOM
1219
CG2
VAL A
168
−1.537
8.104
12.207
1.00
31.50
C

ATOM
1220
C
VAL A
168
−2.660
10.646
9.522
1.00
38.61
C

ATOM
1221
O
VAL A
168
−3.698
10.194
9.050
1.00
38.39
O

ATOM
1222
N
SER A
169
−1.957
11.633
8.967
1.00
39.91
N

ATOM
1223
CA
SER A
169
−2.497
12.462
7.910
1.00
40.32
C

ATOM
1224
CB
SER A
169
−2.041
13.874
8.124
1.00
40.53
C

ATOM
1225
CG
SER A
169
−0.771
13.991
7.534
1.00
39.86
O

ATOM
1226
C
SER A
169
−2.047
12.031
6.529
1.00
40.77
C

ATOM
1227
O
SER A
169
−1.117
11.205
6.351
1.00
41.24
O

ATOM
1228
N
SER A
170
−2.701
12.655
5.559
1.00
40.68
N

ATOM
1229
CA
SER A
170
−2.693
12.234
4.182
1.00
40.96
C

ATOM
1230
CB
SER A
170
−3.845
11.276
3.973
1.00
40.70
C

ATOM
1231
CG
SER A
170
−3.340
10.166
3.298
1.00
43.77
C

ATOM
1232
C
SER A
170
−2.965
13.492
3.379
1.00
40.87
C

ATOM
1233
O
SER A
170
−3.586
14.437
3.893
1.00
40.97
O

ATOM
1234
N
MET A
171
−2.558
13.528
2.124
1.00
40.48
N

ATOM
1235
CA
MET A
171
−2.890
14.707
1.325
1.00
41.02
C

ATOM
1236
CB
MET A
171
−2.146
14.678
−0.033
1.00
41.18
C

ATOM
1237
CG
MET A
171
−2.524
15.754
−1.046
1.00
42.06
C

ATOM
1238
SD
MET A
171
−1.283
16.061
−2.352
1.00
41.25
S

ATOM
1239
CE
MET A
171
−2.492
16.308
−3.669
1.00
42.13
C

ATOM
1240
C
MET A
171
−4.427
14.834
1.228
1.00
1.25
C

ATOM
1241
O
MET A
171
−4.988
15.882
1.500
1.00
40.81
O

ATOM
1242
N
PHE A
172
−5.109
13.742
0.909
1.00
42.23
N

ATOM
1243
CA
PHE A
172
−6.566
13.768
0.880
1.00
43.73
C

ATOM
1244
CB
PHE A
172
−7.091
12.851
−0.227
1.00
44.66
C

ATOM
1245
CG
PHE A
172
−6.518
13.195
−1.604
1.00
47.63
C

ATOM
1246
CD1
PHE A
172
−6.988
14.204
−2.323
1.00
49.30
C

ATOM
1247
CE1
PHE A
172
−6.438
14.616
−3.585
1.00
52.65
C

ATOM
1248
CZ
PHE A
172
−5.422
13.841
−4.146
1.00
52.30
C

ATOM
1249
CE2
PHE A
172
−4.942
12.757
−3.437
1.00
52.18
C

ATOM
1250
CD2
PHE A
172
−5.487
12.436
−2.165
1.00
49.95
C

ATOM
1251
C
PHE A
172
−7.280
13.567
2.221
1.00
43.96
C

ATOM
1252
O
PHE A
172
−8.459
13.818
2.305
1.00
43.90
O

ATOM
1253
N
ILE A
173
−6.559
13.163
3.276
1.00
44.92
N

ATOM
1254
CA
ILE A
173
−7.122
13.062
4.631
1.00
44.08
C

ATOM
1255
CB
ILE A
173
−7.400
11.585
5.056
1.00
43.48
C

ATOM
1256
CG1
ILE A
173
−8.151
10.824
3.963
1.00
43.24
C

ATOM
1257
CD1
ILE A
173
−8.048
9.311
4.061
1.00
41.24
C

ATOM
1258
CG2
ILE A
173
−8.244
11.557
6.245
1.00
40.72
C

ATOM
1259
C
ILE A
173
−6.216
13.762
5.640
1.00
44.66
C

ATOM
1260
O
ILE A
173
−5.713
13.142
6.568
1.00
44.35
O

ATOM
1261
N
PRO A
174
−6.050
15.091
5.508
1.00
45.55
N

ATOM
1262
CA
PRO A
174
−5.083
15.797
6.369
1.00
45.91
C

ATOM
1263
CB
PRO A
174
−5.177
17.240
5.875
1.00
45.21
C

ATOM
1264
CG
PRO A
174
−6.490
17.349
5.294
1.00
44.79
C

ATOM
1265
CD
PRO A
174
−6.777
16.035
4.841
1.00
45.80
C

ATOM
1266
C
PRO A
174
−5.440
15.712
7.863
1.00
46.58
C

ATOM
1267
O
PRO A
174
−4.611
15.982
8.721
1.00
47.07
O

ATOM
1268
N
ASP A
175
−6.666
15.311
8.173
1.00
47.83
N

ATOM
1269
CA
ASP A
175
−7.087
15.143
9.579
1.00
47.42
C

ATOM
1270
CB
ASP A
175
−8.390
15.889
9.808
1.00
48.71
C

ATOM
1271
CG
ASP A
175
−8.432
16.741
11.055
1.00
55.18
C

ATOM
1272
OD1
ASP A
175
−8.446
16.173
12.193
1.00
61.22
O

ATOM
1273
OD2
ASP A
175
−8.206
17.987
10.691
1.00
60.98
O

ATOM
1274
C
ASP A
175
−7.293
13.699
10.010
1.00
45.29
C

ATOM
1275
O
ASP A
175
−8.089
13.462
10.901
1.00
43.54
O

ATOM
1276
N
GLY A
176
−6.609
12.755
9.343
1.00
44.44
N

ATOM
1277
CA
GLY A
176
−6.723
11.305
9.606
1.00
42.74
C

ATOM
1278
C
GLY A
176
−6.222
10.947
10.993
1.00
42.63
C

ATOM
1279
O
GLY A
176
−5.226
11.510
11.50
1.00
43.18
O

ATOM
1280
N
ARG A
177
−6.953
10.059
11.653
1.00
41.73
N

ATOM
1281
CA
ARG A
177
−6.657
9.752
13.034
1.00
41.60
C

ATOM
1282
CB
ARG A
177
−7.684
10.400
13.086
1.00
42.38
C

ATOM
1283
CG
ARG A
177
−7.733
11.910
13.782
1.00
49.29
C

ATOM
1284
CD
ARG A
177
−7.730
12.768
15.096
1.00
60.55
C

ATOM
1285
NE
ARG A
177
−7.703
14.231
14.872
1.00
64.85
N

ATOM
1286
CZ
ARG A
177
−8.244
15.118
15.719
1.00
70.82
C

ATOM
1287
NH1
ARG A
177
−8.856
14.685
16.821
1.00
72.14
N

ATOM
1288
NH2
ARG A
177
−8.192
16.440
15.482
1.00
72.12
N

ATOM
1289
C
ARG A
177
−6.595
8.275
13.191
1.00
39.31
C

ATOM
1290
O
ARG A
177
−7.162
7.555
12.426
1.00
38.67
O

ATOM
1291
N
VAL A
178
−5.872
7.817
14.182
1.00
38.30
N

ATOM
1292
CA
VAL A
178
−6.006
6.432
14.604
1.00
37.56
C

ATOM
1293
CB
VALA
178
−4.810
5.810
14.207
1.00
36.70
C

ATOM
1294
CG1
VAL A
178
−4.862
4.320
14.926
1.00
37.12
C

ATOM
1295
CG2
VAL A
178
−4.857
5.376
12.731
1.00
37.21
C

ATOM
1296
C
VAL A
178
−6.152
6.343
16.108
1.00
37.56
C

ATOM
1297
O
VAL A
178
−5.397
6.951
16.834
1.00
37.27
O

ATOM
1298
N
SER A
179
−7.124
5.606
16.593
1.00
37.92
N

ATOM
1299
CA
SER A
179
−7.164
5.470
17.999
1.00
39.08
C

ATOM
1300
CB
SER A
179
−8.114
6.482
18.603
1.00
39.33
C

ATOM
1301
OG
SER A
179
−9.389
6.226
18.078
1.00
44.69
O

ATOM
1302
C
SER A
179
−7.490
4.100
18.510
1.00
39.15
C

ATOM
1303
O
SER A
179
−7.992
3.206
17.481
1.00
37.94
O

ATOM
1304
N
VAL A
180
−7.158
3.979
19.784
1.00
39.56
N

ATOM
1305
CA
VAL A
180
−7.314
2.722
20.514
1.00
39.27
C

ATOM
1306
CB
VAL A
180
−5.993
1.991
20.541
1.00
39.48
C

ATOM
1307
CG1
VAL A
180
−4.820
2.928
20.918
1.00
39.75
C

ATOM
1308
CG2
VAL A
180
−6.105
0.802
21.493
1.00
39.09
C

ATOM
1309
C
VAL A
180
−7.711
3.211
21.906
1.00
38.39
C

ATOM
1310
O
VAL A
180
−7.089
4.075
22.497
1.00
37.53
O

ATOM
1311
N
SER A
181
−8.768
2.581
22.390
1.00
38.41
N

ATOM
1312
CA
SER A
181
−9.312
2.775
23.713
1.00
37.85
C

ATOM
1313
CB
SER A
181
−10.617
3.466
23.547
1.00
36.56
C

ATOM
1314
OG
SER A
181
−11.236
3.491
24.770
1.00
40.11
O

ATOM
1315
C
SER A
181
−9.505
1.359
24.280
1.00
37.67
C

ATOM
1316
O
SER A
181
−10.062
0.511
23.618
1.00
37.86
O

ATOM
1317
N
ALA A
182
−9.034
1.107
25.490
1.00
37.88
N

ATOM
1318
CA
ALA A
182
−8.887
−0.267
26.012
1.00
37.90
C

ATOM
1319
CB
ALA A
182
−7.438
−0.665
26.016
1.00
36.81
C

ATOM
1320
C
ALA A
182
−9.395
−0.351
27.412
1.00
37.81
C

ATOM
1321
O
ALA A
182
−9.210
0.618
28.146
1.00
37.63
O

ATOM
1322
N
ARG A
183
−9.995
−1.493
27.800
1.00
38.15
N

ATOM
1323
CA
ARG A
183
−10.296
−1.780
29.238
1.00
38.46
C

ATOM
1324
CB
ARG A
183
−11.676
−1.406
29.655
1.00
37.11
C

ATOM
1325
CG
ARG A
183
−12.322
−0.479
28.820
1.00
40.22
C

ATOM
1326
CD
ARG A
183
−13.825
−0.564
29.049
1.00
44.76
C

ATOM
1327
NE
ARG A
183
−14.174
0.192
30.241
1.00
51.70
N

ATOM
1328
CZ
ARG A
183
−14.591
1.450
30.214
1.00
52.35
C

ATOM
1329
NH1
ARG A
183
−14.730
2.077
23.036
1.00
50.67
N

ATOM
1330
NH2
ARG A
183
−14.890
2.082
31.351
1.00
48.42
N

ATOM
1331
C
ARG A
183
−10.167
−3.219
29.649
1.00
38.97
C

ATOM
1332
O
ARG A
183
−10.445
−4.168
28.867
1.00
39.94
O

ATOM
1333
N
ILE A
184
−9.734
−3.368
30.903
1.00
39.15
N

ATOM
1334
CA
ILE A
184
−9.552
−4.669
31.578
1.00
37.76
C

ATOM
1335
CB
ILE A
184
−8.122
−5.117
31.572
1.00
36.59
C

ATOM
1336
CG1
ILE A
184
−7.285
−4.085
32.307
1.00
35.88
C

ATOM
1337
CD1
ILE A
184
−5.843
−4.523
32.644
1.00
38.14
C

ATOM
1338
CG2
ILE A
184
−7.668
−5.292
30.154
1.00
33.83
C

ATOM
1339
C
ILE A
184
−9.997
−4.568
33.009
1.00
37.91
C

ATOM
1340
O
ILE A
184
−10.208
−3.496
33.542
1.00
37.72
O

ATOM
1341
N
ASP A
185
−10.113
−5.713
33.637
1.00
39.44
N

ATOM
1342
CA
ASP A
185
−10.922
−5.841
34.867
1.00
40.40
C

ATOM
1343
CB
ASP A
185
−11.314
−7.298
35.088
1.00
40.25
C

ATOM
1344
CG
ASP A
185
−12.203
−7.826
34.009
1.00
41.96
C

ATOM
1345
OD1
ASP A
185
−12.521
−9.029
34.00
1.00
45.32
O

ATOM
1346
OD2
ASP A
185
−12.639
−7.043
33.168
1.00
47.91
O

ATOM
1347
C
ASP A
185
−10.246
−5.363
36.122
1.00
40.30
C

ATOM
1348
O
ASP A
185
−10.912
−5.137
37.111
1.00
41.04
O

ATOM
1349
N
ARG A
186
−8.935
−5.251
36.087
1.00
40.34
N

ATOM
1350
CA
ARG A
186
−8.184
−4.996
37.279
1.00
41.66
C

ATOM
1351
CB
ARG A
186
−8.477
−3.047
38.329
1.00
42.15
C

ATOM
1352
CG
ARG A
186
−8.062
−7.508
37.937
1.00
42.07
C

ATOM
1353
CD
ARG A
186
−8.565
−8.421
38.967
1.00
39.99
C

ATOM
1354
NE
ARG A
186
−8.242
−9.777
38.747
1.00
44.64
N

ATOM
1355
CZ
ARG A
186
−8.855
−10.613
37.910
1.00
47.09
C

ATOM
1356
NH1
ARG A
186
−9.919
−10.183
37.225
1.00
45.49
N

ATOM
1357
NH2
ARG A
186
−8.411
−11.876
37.769
1.00
46.09
N

ATOM
1358
C
ARG A
186
−6.745
−5.110
36.920
1.00
42.30
C

ATOM
1359
O
ARG A
186
−6.400
−5.611
35.867
1.00
42.33
O

ATOM
1360
N
LYS A
187
−5.908
−4.663
37.826
1.00
43.37
N

ATOM
1361
CA
LYS A
187
−4.514
−4.527
37.557
1.00
44.34
C

ATOM
1362
CB
LYS A
187
−4.037
−3.328
38.348
1.00
44.99
C

ATOM
1363
CG
LYS A
187
−2.700
−2.816
37.939
1.00
49.48
C

ATOM
1364
CD
LYS A
187
−2.299
−1.477
38.639
1.00
54.26
C

ATOM
1365
CE
LYS A
187
−0.750
−1.323
38.488
1.00
58.80
C

ATOM
1366
NZ
LYS A
187
−0.063
−0.270
39.330
1.00
61.87
N

ATOM
1367
C
LYS A
187
−3.763
−5.782
37.997
1.00
44.51
C

ATOM
1368
O
LYS A
187
−2.590
−5.935
37.654
1.00
45.10
O

ATOM
1369
N
GLY A
188
−4.427
−6.677
38.753
1.00
44.25
N

ATOM
1370
CA
GLY A
188
−3.727
−7.746
39.474
1.00
43.89
C

ATOM
1371
C
GLY A
188
−4.129
−9.127
39.028
1.00
44.64
C

ATOM
1372
O
GLY A
188
−5.238
−9.464
39.184
1.00
45.82
O

ATOM
1373
N
PHE A
189
−3.206
−9.936
38.476
1.00
44.66
N

ATOM
1374
CA
PHE A
189
−3.577
−11.261
37.948
1.00
45.07
C

ATOM
1375
CB
PHE A
189
−3.625
−11.272
36.391
1.00
45.07
C

ATOM
1376
CG
PHE A
189
−4.642
−10.314
35.773
1.00
41.56
C

ATOM
1377
CD1
PHE A
189
−5.947
−10.471
35.502
1.00
40.88
C

ATOM
1378
CE1
PHE A
189
−6.893
−9.866
34.929
1.00
41.86
C

ATOM
1379
CZ
PHE A
189
−6.507
−8.535
34.595
1.00
41.81
C

ATOM
1380
CE2
PHE A
189
−5.195
−8.109
34.858
1.00
39.07
C

ATOM
1381
CD2
PHE A
189
−4.280
−9.000
35.453
1.00
38.73
C

ATOM
1382
C
PHE A
189
−2.707
−12.435
38.412
1.00
46.16
C

ATOM
1383
O
PHE A
189
−1.514
−12.296
38.640
1.00
45.12
O

ATOM
1384
N
CYS A
190
−3.322
−13.609
38.517
1.00
47.93
N

ATOM
1385
CA
CYS A
190
−2.617
−14.798
38.921
1.00
50.00
C

ATOM
1386
CB
CYS A
190
−3.596
−15.759
39.589
1.00
51.18
C

ATOM
1387
SG
CYS A
190
−4.177
−15.488
41.235
1.00
59.02
S

ATOM
1388
C
CYS A
190
−2.172
−15.465
37.657
1.00
49.69
C

ATOM
1389
O
CYS A
190
−2.984
−15.587
36.723
1.00
49.66
O

AOTM
1390
N
GLU A
191
−0.924
−15.932
37.623
1.00
49.34
N

ATOM
1391
CA
GLU A
191
−0.492
−16.920
36.624
1.00
49.96
C

ATOM
1392
CB
GLU A
191
0.676
−17.713
31.177
1.00
50.51
C

ATOM
1393
CG
GLU A
191
1.975
−17.041
36.847
1.00
54.61
C

ATOM
1394
CD
GLU A
191
3.133
−17.531
37.658
1.00
57.68
C

ATOM
1395
OE1
GLU A
191
4.211
−16.872
37.518
1.00
55.39
O

ATOM
1396
OE2
GLU A
191
2.946
−18.543
38.412
1.00
59.83
O

ATOM
1397
C
GLU A
191
−1.568
−17.932
36.229
1.00
49.90
C

ATOM
1398
O
GLU A
191
−2.261
−18.489
37.115
1.00
51.13
O

ATOM
1399
N
GLY A
192
−1.700
−18.213
34.933
1.00
48.74
N

ATOM
1400
CA
GLY A
192
−2.791
−19.074
34.454
1.00
47.83
C

ATOM
1401
C
GLY A
192
−4.078
−18.333
34.061
1.00
48.35
C

ATOM
1402
O
GLY A
192
−4.912
−18.873
33.298
1.00
47.74
O

AOTM
1403
N
ASP A
193
−4.259
−17.095
34.537
1.00
47.16
N

ATOM
1404
CA
ASP A
193
−5.467
−16.413
34.204
1.00
46.93
C

ATOM
1405
CB
ASP A
193
−5.573
−15.175
35.020
1.00
48.27
C

ATOM
1406
CG
ASP A
193
−5.997
−15.461
36.406
1.00
48.03
C

ATOM
1407
OD1
ASP A
193
−6.145
−16.654
36.691
1.00
51.21
O

ATOM
1408
OD2
ASP A
193
−6.173
−14.518
37.191
1.00
45.94
O

ATOM
1409
C
ASP A
193
−5.553
−16.000
32.79
1.00
47.25
C

ATOM
1410
O
ASP A
193
−4.576
−16.007
32.034
1.00
48.79
O

ATOM
1411
N
GLU A
194
−6.479
−15.643
32.389
1.00
46.78
N

ATOM
1412
CA
GLU A
194
−6.958
−14.995
31.146
1.00
47.04
C

ATOM
1413
CB
GLU A
194
−8.280
−15.462
30.557
1.00
47.57
C

ATOM
1414
CG
GLU A
194
−8.165
−16.040
29.155
1.00
52.56
C

ATOM
1415
CD
GLU A
194
−8.223
−17.576
29.149
1.00
60.99
C

ATOM
1416
OE1
GLU A
194
−9.315
−18.123
28.837
1.00
52.81
O

ATOM'
1417
OE2
GLU A
194
−7.188
−18.244
29.475
1.00
64.55
O

ATOM
1418
C
GLU A
194
−7.068
−13.506
31.496
1.00
46.31
C

ATOM
1419
O
GLU A
194
−7.787
−13.138
32.398
1.00
46.27
O

ATOM
1420
N
ILE A
195
−6.349
−12.628
30.814
1.00
45.52
N

ATOM
1421
CA
ILE A
195
−6.742
−11.238
30.847
1.00
44.67
C

ATOM
1422
CB
ILE A
195
−5.574
−10.328
30.677
1.00
44.53
C

ATOM
1423
CG1
ILE A
195
−4.583
−10.519
31.832
1.00
44.52
C

ATOM
1424
CD1
ILE A
195
−3.293
−9.708
31.674
1.00
44.44
C

ATOM
1425
CG2
ILE A
195
−6.060
−8.902
30.588
1.00
44.93
C

ATOM
1426
C
ILE A
195
−7.745
−11.005
29.717
1.00
44.57
C

ATOM
1427
O
ILE A
195
−7.538
−11.400
28.542
1.00
44.75
O

ATOM
1428
N
SER A
196
−8.834
−10.365
30.070
1.00
43.77
N

ATOM
1429
CA
SER A
196
−9.926
−10.220
29.130
1.00
43.80
C

ATOM
1430
CB
SER A
196
−11.252
−10.615
29.763
1.00
43.05
C

ATOM
1431
OG
SER A
196
−12.153
−10.873
28.713
1.00
45.00
O

ATOM
1432
C
SER A
196
−9.994
−8.777
28.680
1.00
43.00
C

ATOM
1433
O
SER A
196
−9.962
−7.883
29.526
1.00
43.32
O

ATOM
1434
N
ILE A
197
−10.094
−8.561
27.384
1.00
41.74
N

ATOM
1435
CA
ILE A
197
−9.926
−7.239
26.812
1.00
41.07
C

ATOM
1436
CB
ILE A
197
−8.702
−7.119
25.900
1.00
40.44
C

ATOM
1437
CG1
ILE A
197
−7.452
−7.699
26.569
1.00
41.18
C

ATOM
1438
CD1
ILE A
197
−6.168
−7.699
25.706
1.00
36.78
C

ATOM
1439
CG2
ILE A
197
−8.467
−5.660
25.584
1.00
38.00
C

ATOM
1440
C
ILE A
197
−11.117
−6.695
26.045
1.00
41.83
C

ATOM
1441
O
ILE A
197
−11.672
−7.353
25.144
1.00
40.77
O

ATOM
1442
N
HIS A
198
−11.446
−5.457
26.409
1.00
41.94
N

ATOM
1443
CA
HIS A
198
−12.462
−4.667
25.789
1.00
42.53
C

ATOM
1444
CB
HIS A
198
−13.392
−4.120
26.868
1.00
42.72
C

ATOM
1445
CG
HIS A
198
−14.625
−3.474
26.316
1.00
46.04
C

ATOM
1446
ND1
HIS A
198
−14.762
−2.104
26.197
1.00
48.64
N

ATOM
1447
CE1
HIS A
198
−15.942
−1.825
25.667
1.00
47.14
C

ATOM
1448
NE2
HIS A
198
−16.552
−2.965
25.393
1.00
46.11
N

ATOM
1449
CD2
HIS A
198
−15.762
−4.012
25.804
1.00
46.09
C

ATOM
1450
C
HIS A
198
−11.740
−3.504
25.150
1.00
43.35
C

ATOM
1451
O
HIS A
198
−11.042
−2.722
25.838
1.00
45.09
O

ATOM
1452
N
ALA A
199
−11.860
−3.380
23.837
1.00
42.68
N

ATOM
1453
CA
ALA A
199
−11.133
−2.327
23.122
1.00
41.62
C

ATOM
1454
CB
ALA A
199
−9.704
−2.733
22.851
1.00
40.87
C

ATOM
1455
C
ALA A
199
−11.849
−1.863
21.838
1.00
41.36
C

ATOM
1456
O
ALA A
199
−12.521
−2.657
21.150
1.00
41.14
O

ATOM
1457
N
ASP A
200
−11.764
−0.561
21.593
1.00
40.12
N

ATOM
1458
CA
ASP A
200
−12.321
0.003
20.424
1.00
40.56
C

ATOM
1459
CB
ASP A
200
−13.388
1.055
20.752
1.00
40.65
C

ATOM
1460
CG
ASP A
200
−14.569
0.542
21.648
1.00
41.23
C

ATOM
1461
OD1
ASP A
200
−15.019
−0.620
21.581
1.00
40.37
O

ATOM
1462
OD2
ASP A
200
−15.093
1.393
22.418
1.00
44.10
O

ATOM
1463
C
ASP A
200
−11.168
0.648
19.621
1.00
41.30
C

ATOM
1464
O
ASP A
200
−10.282
1.336
20.187
1.00
41.72
O

ATOM
1465
N
PHE A
201
−11.172
0.424
18.309
1.00
40.57
N

ATOM
1466
CA
PHE A
201
−10.168
0.998
17.456
1.00
40.67
C

ATOM
1467
CB
PHE A
201
−9.392
−0.141
16.809
1.00
40.93
C

ATOM
1468
CG
PHE A
201
−8.767
−1.090
17.793
1.00
39.58
C

ATOM
1469
CD1
PHE A
201
−7.538
−0.836
18.317
1.00
37.01
C

ATOM
1470
CE1
PHE A
201
−6.963
−1.725
19.197
1.00
37.09
C

ATOM
1471
CZ
PHE A
201
−7.635
−2.889
19.544
1.00
39.00
C

ATOM
1472
CE2
PHE A
201
−8.872
−3.166
19.002
1.00
37.48
C

ATOM
1473
CD2
PHE A
201
−9.418
−2.271
18.147
1.00
40.20
C

ATOM
1474
C
PHE A
201
−10.809
1.840
16.372
1.00
40.58
C

ATOM
1475
O
PHE A
201
−11.666
1.353
15.713
1.00
41.94
O

ATOM
1476
N
GLU A
202
−10.408
3.083
16.173
1.00
40.74
N

ATOM
1477
CA
GLU A
202
−10.854
3.837
14.980
1.00
41.73
C

ATOM
1478
CB
GLU A
202
−11.236
5.265
15.305
1.00
43.10
C

ATOM
1479
CG
GLU A
202
−12.192
5.586
16.442
1.00
48.59
C

ATOM
1480
CD
GLU A
202
−13.039
6.828
16.059
1.00
55.27
C

ATOM
1481
OE1
GLU A
202
−12.719
7.512
15.037
1.00
53.75
O

ATOM
1482
OE2
GLU A
202
−14.049
7.090
16.758
1.00
59.21
O

ATOM
1483
C
GLU A
202
−9.750
4.035
13.966
1.00
40.03
C

ATOM
1484
O
GLU A
202
−8.618
4.194
14.437
1.00
39.85
O

ATOM
1485
N
ASN A
203
−10.086
4.110
12.684
1.00
38.71
N

ATOM
1486
CA
ASN A
203
−9.107
4.419
11.659
1.00
37.33
C

ATOM
1487
CB
ASN A
203
−8.486
3.155
11.127
1.00
35.93
C

ATOM
1488
CG
ASN A
203
−7.559
3.396
9.974
1.00
34.61
C

ATOM
1489
OD1
ASN A
203
7.054
4.504
9.732
1.00
32.58
O

ATOM
1490
ND2
ASN A
203
−7.318
2.341
9.242
1.00
30.37
N

ATOM
1491
C
ASN A
203
−9.718
5.218
10.518
1.00
38.49
C

ATOM
1492
O
ASN A
203
−10.335
4.656
9.591
1.00
39.45
O

ATOM
1493
N
THR A
204
−9.516
6.531
10.595
1.00
38.37
N

ATOM
1494
CA
THR A
204
−9.954
7.475
9.591
1.00
38.40
C

ATOM
1495
CB
THR A
204
−10.645
8.697
10.205
1.00
38.12
C

ATOM
1496
OG1
THR A
204
−9.753
9.333
11.110
1.00
40.16
O

ATOM
1497
CG2
THR A
204
−11.892
8.277
10.987
1.00
39.56
C

ATOM
1498
C
THR A
204
−8.806
7.972
8.743
1.00
38.33
C

ATOM
1499
O
THR A
204
−9.029
8.822
7.889
1.00
39.41
O

ATOM
1500
N
SER A
205
−7.608
7.435
8.974
1.00
37.86
N

ATOM
1501
CA
SER A
205
−6.437
7.637
8.156
1.00
37.94
C

ATOM
1502
CB
SER A
205
−5.226
7.078
8.880
1.00
37.81
C

ATOM
1503
OG
SER A
205
−5.065
5.694
8.536
1.00
37.80
O

ATOM
1504
C
SER A
205
−6.565
6.793
6.885
1.00
38.90
C

ATOM
1505
O
SER A
205
7.379
5.870
6.814
1.00
39.05
O

ATOM
1506
N
SER A
206
−5.706
7.084
5.907
1.00
39.84
N

ATOM
1507
CA
SER A
206
−5.654
6.355
4.641
1.00
39.44
C

ATOM
1508
CB
SER A
206
−4.985
7.237
3.582
1.00
38.26
C

ATOM
1509
OG
SER A
206
−3.636
7.502
3.894
1.00
37.52
O

ATOM
1510
C
SER A
206
−4.921
5.007
4.729
1.00
40.39
C

ATOM
1511
O
SER A
206
−4.792
4.319
3.743
1.00
40.90
O

ATOM
1512
N
ARG A
207
−4.397
4.621
5.881
1.00
41.46
N

ATOM
1513
CA
ARG A
207
−3.652
3.352
5.916
1.00
42.20
C

ATOM
1514
CB
ARG A
207
−2.394
3.433
6.800
1.00
42.15
C

ATOM
1515
CG
ARG A
207
−1.716
4.785
6.847
1.00
45.22
C

ATOM
1516
CD
ARG A
207
−0.774
4.082
5.676
1.00
52.23
C

ATOM
1517
NE
ARG A
207
0.107
6.145
5.884
1.00
56.51
N

ATOM
1518
CZ
ARG A
207
−0.307
7.424
5.908
1.00
57.48
C

ATOM
1519
NH1
ARG A
207
−1.607
7.759
5.730
1.00
52.69
N

ATOM
1520
NH2
ARG A
207
0.589
8.386
6.127
1.00
60.24
N

ATOM
1521
C
ARG A
207
−4.534
2.207
6.389
1.00
40.85
C

ATOM
1522
O
ARG A
207
−5.459
2.433
7.132
1.00
42.73
O

ATOM
1523
N
ILE A
208
−4.249
0.992
5.947
1.00
39.27
N

ATOM
1524
CA
ILE A
208
−4.744
−0.198
6.601
1.00
37.95
C

ATOM
1525
CB
ILE A
208
−4.575
−1.400
5.690
1.00
37.37
C

ATOM
1526
CG1
ILE A
208
−5.599
−1.346
4.557
1.00
34.46
C

ATOM
1527
CD1
ILE A
208
−5.241
−2.231
2.337
1.00
25.20
C

ATOM
1528
CG2
ILE A
208
−4.741
−2.733
6.505
1.00
39.80
C

ATOM
1529
C
ILE A
208
−3.896
−0.418
7.856
1.00
38.73
C

ATOM
1530
O
ILE A
208
−2.628
−0.457
7.752
1.00
39.37
O

ATOM
1531
N
VAL A
209
−4.542
−0.584
9.024
1.00
37.68
N

ATOM
1532
CA
VAL A
209
−3.799
−0.664
10.312
1.00
37.05
C

ATOM
1533
CB
VAL A
209
−4.090
0.560
11.229
1.00
37.18
C

ATOM
1534
CG1
VAL A
209
−3.726
1.877
10.550
1.00
35.19
C

ATOM
1535
CG2
VAL A
209
−5.557
0.566
11.772
1.00
34.25
C

ATOM
1536
C
VAL A
209
−4.137
−1.965
11.054
1.00
38.38
C

ATOM
1537
O
VAL A
209
−5.203
−2.521
10.826
1.00
39.67
O

ATOM
1538
N
VAL A
210
−3.270
−2.454
11.939
1.00
38.27
N

ATOM
1539
CA
VAL A
210
−3.516
3.727
12.572
1.00
38.08
C

ATOM
1540
CB
VAL A
210
−2.473
−4.692
12.126
1.00
38.78
C

ATOM
1541
CG1
VAL A
210
−2.726
−6.118
12.695
1.00
38.41
C

ATOM
1542
CG2
VAL A
210
−2.471
−4.707
10.664
1.00
40.02
C

ATOM
1543
C
VAL A
210
−3.417
−3.579
14.082
1.00
38.18
C

ATOM
1544
O
VAL A
210
−2.442
−3.060
14.569
1.00
38.69
O

ATOM
1545
N
PRO A
211
−4.445
−4.012
14.827
1.00
38.19
N

ATOM
1546
CA
PRO A
211
−4.358
−3.865
16.277
1.00
37.39
C

ATOM
1547
CB
PRO A
211
−5.819
−3.764
16.681
1.00
37.19
C

ATOM
1548
CG
PRO A
211
−6.625
−4.534
15.590
1.00
36.16
C

ATOM
1549
CD
PRO A
211
−5.736
−4.624
14.388
1.00
38.07
C

ATOM
1550
C
PRO A
211
−3.727
−5.116
16.880
1.00
37.45
C

ATOM
1551
O
PRO A
211
−3.938
−6.229
16.365
1.00
37.80
O

ATOM
1552
N
LYS A
212
−2.957
−4.946
17.958
1.00
36.98
N

ATOM
1553
CA
LYS A
212
−2.231
−6.066
18.601
1.00
36.15
C

ATOM
1554
CB
LYS A
212
−0.817
−6.231
18.029
1.00
35.86
C

ATOM
1555
OG
LYS A
212
−0.717
−6.406
16.507
1.00
34.14
O

ATOM
1556
CD
LYS A
212
0.724
−6.360
16.079
1.00
35.23
C

ATOM
1557
CE
LYS A
212
0.882
−6.128
14.583
1.00
37.11
C

ATOM
1558
NZ
LYS A
212
2.233
−6.488
14.003
1.00
40.36
N

ATOM
1559
C
LYS A
212
−2.164
−5.900
20.122
1.00
37.12
C

ATOM
1560
O
LYS A
212
−2.416
−4.782
20.703
1.00
36.71
O

ATOM
1561
N
ALA A
213
−1.857
−7.008
20.800
1.00
36.16
N

ATOM
1562
CA
ALA A
213
−1.653
−6.882
22.256
1.00
35.01
C

ATOM
1563
CB
ALA A
213
−2.919
−7.179
22.994
1.00
34.18
C

ATOM
1564
C
ALA A
213
−0.582
−7.846
22.691
1.00
35.59
C

ATOM
1565
O
ALA A
213
−0.386
−8.947
22.068
1.00
34.75
O

ATOM
1566
N
ALA A
214
0.132
−7.461
23.745
1.00
34.71
N

ATOM
1567
CA
ALA A
214
1.103
−8.406
24.295
1.00
35.44
C

ATOM
1568
CB
ALA A
214
2.462
−8.383
25.695
1.00
34.85
C

ATOM
1569
C
ALA A
214
1.292
−8.105
25.695
1.00
35.42
C

ATOM
1570
O
ALA A
214
1.118
−6.935
26.104
1.00
35.25
O

ATOM
1571
N
ILE A
215
1.593
−9.176
26.439
1.00
35.71
N

ATOM
1572
CA
ILE A
215
1.997
−9.049
27.831
1.00
36.56
C

ATOM
1573
CB
ILE A
215
1.444
−10.236
28.722
1.00
37.25
C

ATOM
1574
CG1
ILE A
215
−0.015
−10.018
29.116
1.00
36.37
C

ATOM
1575
CD1
ILE A
215
−0.703
−11.290
29.663
1.00
33.01
C

ATOM
1576
CG2
ILE A
215
2.277
−10.420
29.976
1.00
35.78
C

ATOM
1577
C
ILE A
215
3.518
−9.034
27.772
1.00
36.51
C

ATOM
1578
O
ILE A
215
4.153
−9.917
27.193
1.00
35.67
O

ATOM
1579
N
VAL A
216
4.109
−8.028
28.360
1.00
36.82
N

ATOM
1580
CA
VAL A
216
5.555
−7.997
28.361
1.00
38.55
C

ATOM
1581
CB
VAL A
216
6.091
−6.812
27.545
1.00
39.52
C

ATOM
1582
CG1
VAL A
216
5.814
−7.044
26.027
1.00
40.74
C

ATOM
1583
CG2
VAL A
216
5.462
−5.510
27.984
1.00
38.25
C

ATOM
1584
C
VAL A
216
6.135
−8.047
29.785
1.00
39.34
C

ATOM
1585
O
VAL A
216
5.491
−7.676
30.770
1.00
38.26
O

ATOM
1586
N
ALA A
217
7.338
−8.578
29.892
1.00
41.21
N

ATOM
1587
CA
ALA A
217
7.962
−8.795
31.201
1.00
42.64
C

ATOM
1588
CB
ALA A
217
8.243
−10.268
31.393
1.00
41.94
C

ATOM
1589
C
ALA A
217
9.247
−8.004
31.147
1.00
43.60
C

ATOM
1590
O
ALA A
217
10.050
−8.198
30.190
1.00
44.43
O

ATOM
1591
N
ARG A
218
9.415
−7.076
32.089
1.00
44.02
N

ATOM
1592
CA
ARG A
218
10.703
−6.374
32.256
1.00
45.78
C

ATOM
1593
CB
ARG A
218
10.474
−4.892
32.328
1.00
44.86
C

ATOM
1594
CG
ARG A
218
9.627
−4.460
31.205
1.00
47.70
C

ATOM
1595
CD
ARG A
218
9.335
−2.983
31.284
1.00
53.52
C

ATOM
1596
NE
ARG A
218
8.587
−2.541
30.108
1.00
55.19
N

ATOM
1597
CZ
ARG A
218
7.260
−2.417
30.076
1.00
56.21
C

ATOM
1598
NH1
ARG A
218
6.509
−2.710
31.163
1.00
53.32
N

ATOM
1599
NH2
ARG A
218
6.689
−2.004
28.946
1.00
52.45
N

ATOM
1600
C
ARG A
218
11.518
−6.852
33.466
1.00
46.60
C

ATOM
1601
O
ARG A
218
11.220
−6.486
34.586
1.00
46.51
O

ATOM
1602
N
HIS A
219
12.514
−7.707
33.243
1.00
48.08
N

ATOM
1603
CA
HIS A
219
13.331
−8.189
34.363
1.00
49.51
C

ATOM
1604
CB
HIS A
219
14.052
−9.450
34.023
1.00
49.60
C

ATOM
1605
CG
HIS A
219
13.216
−10.401
33.266
1.00
51.80
C

ATOM
1606
ND1
HIS A
219
12.502
−11.447
33.870
1.00
53.38
N

ATOM
1607
CE1
HIS A
219
11.873
−12.113
32.964
1.00
54.92
C

ATOM
1608
NE2
HIS A
219
12.050
−11.523
31.795
1.00
58.11
N

ATOM
1609
CD2
HIS A
219
12.891
−10.449
31.957
1.00
54.98
C

ATOM
1610
C
HIS A
219
14.384
−7.183
34.647
1.00
50.50
C

ATOM
1611
O
HIS A
219
15.153
−6.809
33.754
1.00
50.28
O

ATOM
1612
N
THR A
220
14.400
6.738
35.892
1.00
52.36
N

ATOM
1613
CA
THR A
220
15.468
−5.910
38.400
1.00
53.85
C

ATOM
1614
CB
THR A
220
14.928
−4.879
37.391
1.00
53.45
C

ATOM
1615
OG1
THR A
220
13.540
−4.670
37.102
1.00
53.47
O

ATOM
1616
CG2
THR A
220
15.717
−3.577
37.302
1.00
52.40
C

ATOM
1617
C
THR A
220
16.359
−6.940
37.090
1.00
55.36
C

ATOM
1618
O
THR A
220
15.889
−7.757
37.946
1.00
55.15
O

ATOM
1619
N
TYR A
221
17.628
−6.943
36.685
1.00
56.71
N

ATOM
1620
CA
TYR A
221
18.535
−7.995
37.153
1.00
59.10
C

ATOM
1621
CB
TYR A
221
18.655
−9.213
36.181
1.00
58.62
C

ATOM
1622
CG
TYR A
221
19.299
−8.891
34.846
1.00
59.07
C

ATOM
1623
CD1
TYR A
221
20.610
−9.251
34.565
1.00
61.92
C

ATOM
1624
CE1
TYR A
221
21.194
−8.952
33.324
1.00
83.18
C

ATOM
1625
CZ
TYR A
221
20.435
−8.729
32.380
1.00
64.99
C

ATOM
1626
OH
TYR A
221
20.938
−7.945
31.145
1.00
66.96
O

ATOM
1627
CE2
TYR A
221
19.142
−7.909
32.657
1.00
62.42
C

ATOM
1628
CD2
TYR A
221
18.595
−8.213
33.871
1.00
60.09
C

ATOM
1629
C
TYR A
221
19.884
−7.432
37.487
1.00
59.98
C

ATOM
1630
O
TYR A
221
20.325
−6.368
36.942
1.00
59.83
O

ATOM
1631
N
LEU A
222
20.509
−8.178
38.397
1.00
61.39
N

ATOM
1632
CA
LEU A
222
21.871
−7.910
38.847
1.00
63.61
C

ATOM
1633
CB
LEU A
222
22.028
−8.341
40.309
1.00
62.98
C

ATOM
1634
CG
LEU A
222
21.282
−7.473
41.325
1.00
63.02
C

ATOM
1635
CD1
LEU A
222
21.463
−8.070
42.756
1.00
61.49
C

ATOM
1636
CD2
LEU A
222
21.629
−5.923
41.201
1.00
60.77
C

ATOM
1637
C
LEU A
222
22.940
−8.569
37.953
1.00
64.69
C

ATOM
1638
O
LEU A
222
23.067
−9.826
37.951
1.00
64.81
O

ATOM
1639
N
ALA A
223
23.675
−7.738
37.191
1.00
65.52
N

ATOM
1640
CA
ALA A
223
24.806
−8.256
36.397
1.00
67.79
C

ATOM
1641
CB
ALA A
223
24.325
−8.974
35.082
1.00
67.44
C

ATOM
1642
C
ALA A
223
25.945
−7.268
36.082
1.00
69.31
C

ATOM
1643
O
ALA A
223
25.702
−6.130
35.604
1.00
69.36
O

ATOM
1644
N
ASN A
224
27.180
−7.743
36.334
1.00
70.36
N

ATOM
1645
CA
ASN A
224
28.422
−7.067
35.924
1.00
71.15
C

ATOM
1646
CB
ASN A
224
28.609
−7.127
34.394
1.00
71.97
C

ATOM
1647
CG
ASN A
224
28.792
−8.579
33.863
1.00
73.02
C

ATOM
1648
OD1
ASN A
224
29.156
−9.501
34.610
1.00
72.47
O

ATOM
1649
ND2
ASN A
224
28.545
−8.766
32.563
1.00
72.69
N

ATOM
1650
C
ASN A
224
28.523
−5.627
36.432
1.00
71.70
C

ATOM
1651
O
ASN A
224
28.812
−4.686
35.644
1.00
71.63
O

ATOM
1652
N
GLY A
225
28.281
−5.487
37.750
1.00
71.80
N

ATOM
1653
CA
GLY A
225
28.253
−4.201
38.458
1.00
71.58
C

ATOM
1654
C
GLY A
225
26.932
3.433
38.426
1.00
71.90
C

ATOM
1655
O
GLY A
225
26.842
−2.307
38.961
1.00
71.41
O

ATOM
1656
N
GLN A
226
25.907
−4.061
37.829
1.00
72.24
N

ATOM
1657
CA
GLN A
226
24.671
−3.394
37.362
1.00
72.31
C

ATOM
1658
CB
GLN A
226
24.744
−3.359
35.829
1.00
72.54
C

ATOM
1659
CG
GLN A
226
25.667
−2.273
35.182
1.00
73.97
C

ATOM
1660
CD
GLN A
226
26.768
−1.728
36.106
1.00
76.68
C

ATOM
1661
OE1
GLN A
226
27.884
−2.262
36.129
1.00
78.84
O

ATOM
1662
NE2
GLN A
226
26.456
−0.665
35.873
1.00
75.15
N

ATOM
1663
C
GLN A
226
23.371
−4.095
37.873
1.00
71.90
C

ATOM
1664
O
GLN A
226
23.447
−5.282
38.244
1.00
72.77
O

ATOM
1665
N
THR A
227
22.165
−3.495
37.855
1.00
71.08
N

ATOM
1666
CA
THR A
227
21.636
−2.335
37.069
1.00
69.43
C

ATOM
1667
CB
THR A
227
22.551
−1.053
37.047
1.00
69.27
C

ATOM
1668
OG1
THR A
227
21.757
0.075
36.628
1.00
71.33
O

ATOM
1669
CG2
THR A
227
23.570
−1.146
36.006
1.00
68.61
C

ATOM
1670
C
THR A
227
21.082
−2.624
35.639
1.00
67.58
C

ATOM
1671
O
THR A
227
21.101
−1.717
34.782
1.00
68.22
O

ATOM
1672
N
LYS A
228
20.589
−3.826
35.347
1.00
64.53
N

ATOM
1673
CA
LYS A
228
19.964
−3.975
34.00
1.00
62.00
C

ATOM
1674
CB
LYS A
228
20.804
−4.844
33.050
1.00
62.49
C

ATOM
1675
CG
LYS A
228
22.098
−4.230
32.467
1.00
60.48
C

ATOM
1676
CD
LYS A
228
22.955
−5.411
31.970
1.00
55.92
C

ATOM
1677
CE
LYS A
228
24.170
−4.976
31.177
1.00
53.23
C

ATOM
1678
NZ
LYS A
228
24.423
−5.872
30.016
1.00
49.66
N

ATOM
1679
C
LYS A
228
18.507
−4.445
33.954
1.00
60.33
C

ATOM
1680
O
LYS A
228
17.979
−5.094
34.887
1.00
60.10
O

ATOM
1681
N
VAL A
229
17.860
−4.115
32.847
1.00
58.16
N

ATOM
1682
CA
VAL A
229
16.484
−4.554
32.597
1.00
55.57
C

ATOM
1683
CB
VAL A
229
15.409
−3.428
−32.784
1.00
55.31
C

ATOM
1684
CG1
VAL A
229
15.824
−2.102
32.190
1.00
52.04
C

ATOM
1685
CG2
VAL A
229
14.101
−3.892
32.190
1.00
56.29
C

ATOM
1686
C
VAL A
229
15.396
−5.168
31.226
1.00
54.39
C

ATOM
1687
O
VAL A
229
16.830
−4.559
30.251
1.00
54.71
O

ATOM
1688
N
LEU A
230
−15.890
−6.395
31.166
1.00
52.77
N

ATOM
1689
CA
LEU A
230
15.632
−7.094
29.908
1.00
51.35
C

ATOM
1690
CB
LEU A
230
16.228
−8.483
29.994
1.00
51.38
C

ATOM
1691
CG
LEU A
230
15.756
−9.453
28.929
1.00
52.81
C

ATOM
1692
CD1
LEU A
230
16.859
−9.730
27.918
1.00
54.72
C

ATOM
1693
CD2
LEU A
230
15.323
−10.714
29.589
1.00
54.75
C

ATOM
1694
C
LEU A
230
14.110
−7.204
29.647
1.00
50.72
C

ATOM
1695
O
LEU A
230
13.334
−7.569
30.563
1.00
50.68
O

ATOM
1696
N
TRH A
231
13.682
−6.891
28.423
1.00
49.15
N

ATOM
1697
CA
THR A
231
12.282
−7.056
28.023
1.00
48.64
C

ATOM
1698
CB
THR A
231
11.853
−5.884
27.196
1.00
48.63
C

ATOM
1699
OG1
THR A
231
12.403
4.718
27.795
1.00
51.80
O

ATOM
1700
CG2
THR A
231
10.366
−5.733
27.201
1.00
48.82
C

ATOM
1701
C
THR A
231
11.983
−8.359
27.252
1.00
48.12
C

ATOM
1702
O
THR A
231
12.531
−8.636
26.171
1.00
47.90
O

ATOM
1703
N
GLN A
232
11.087
−9.135
27.834
1.00
47.22
N

ATOM
1704
CA
GLN A
232
10.631
−10.390
27.291
1.00
46.95
C

ATOM
1705
CB
GLN A
232
10.701
−11.442
28.386
1.00
47.47
C

ATOM
1706
CG
GLN A
232
10.869
−12.865
27.933
1.00
51.53
C

ATOM
1707
CD
GLN A
232
10.427
−13.591
28.989
1.00
56.04
C

ATOM
1708
OE1
GLN A
232
10.582
−13.797
30.211
1.00
57.31
O

ATOM
1709
NE2
GLN A
232
9.888
−15.060
28.481
1.00
56.94
N

ATOM
1710
C
GLN A
232
9.165
−10.185
26.855
1.00
46.13
C

ATOM
1711
O
GLN A
232
8.414
−9.466
27.551
1.00
46.70
O

ATOM
1712
N
LYS A
233
8.796
−10.779
25.737
1.00
44.93
N

ATOM
1713
CA
LYS A
233
7.449
−10.802
25.209
1.00
42.67
C

ATOM
1714
CB
LYS A
233
7.541
−10.650
23.694
1.00
41.94
C

ATOM
1715
CG
LYS A
233
6.201
−10.465
22.986
1.00
39.94
C

ATOM
1716
CD
LYS A
233
6.449
−10.779
21.540
1.00
36.59
C

ATOM
1717
CE
LYS A
233
5.343
−10.304
20.659
1.00
40.62
C

ATOM
1718
NZ
LYS A
233
5.263
−11.016
19.331
1.00
41.44
N

ATOM
1719
C
LYS A
233
6.836
12.160
25.553
1.00
42.38
C

ATOM
1720
O
LYS A
233
7.376
−13.217
25.135
1.00
41.36
O

ATOM
1721
N
LEU A
234
5.742
−12.147
26.321
1.00
41.80
N

ATOM
1722
CA
LEU A
234
5.030
−13.395
26.657
1.00
41.96
C

ATOM
1723
CB
LEU A
234
4.645
−13.464
28.141
1.00
42.08
C

ATOM
1724
CG
LEU A
234
5.768
−13.215
29.184
1.00
40.86
C

ATOM
1725
CD1
LEU A
234
5.254
−13.223
30.626
1.00
37.60
C

ATOM
1726
CD2
LEU A
234
6.801
−14.237
29.047
1.00
40.68
C

ATOM
1727
C
LEU A
234
3.845
−13.625
25.682
1.00
42.3.4
C

ATOM
1728
O
LEU A
234
4.059
−13.609
24.493
1.00
42.96
O

ATOM
1729
N
SER A
235
2.610
−13.821
26.126
1.00
42.23
N

ATOM
1730
CA
SER A
235
1.548
−14.123
25.150
1.00
41.75
C

ATOM
1731
CB
SER A
235
0.333
−14.860
25.770
1.00
42.61
C

ATOM
1732
OG
SER A
235
0.133
−14.594
27.159
1.00
46.55
O

ATOM
1733
C
SER A
235
1.173
−12.933
24.287
1.00
40.13
C

ATOM
1734
O
SER A
235
1.436
−11.830
24.633
1.00
39.80
O

ATOM
1735
N
SER A
236
0.622
−13.175
23.117
1.00
39.94
N

ATOM
1736
CA
SER A
236
0.203
−12.081
22.260
1.00
39.98
C

ATOM
1737
CB
SER A
236
1.374
−11.454
21.501
1.00
39.98
C

ATOM
1738
OG
SER A
236
1.886
−12.270
20.483
1.00
36.77
O

ATOM
1739
C
SER A
236
−0.837
−12.538
21.290
1.00
40.67
C

ATOM
1740
O
SER A
236
−0.903
−13.715
20.993
1.00
41.90
O

ATOM
1741
N
VAL A
237
−1.677
−11.603
20.853
1.00
41.64
N

ATOM
1742
CA
VAL A
237
−2.679
−11.784
19.827
1.00
41.71
C

ATOM
1743
CB
VAL A
237
−4.070
−11.634
20.379
1.00
41.76
C

ATOM
1744
CG1
VAL A
237
−4.531
−12.905
21.083
1.00
44.54
C

ATOM
1745
CG2
VAL A
237
−4.148
−10.468
21.321
1.00
38.31
C

ATOM
1746
C
VAL A
237
−2.552
−10.616
18.877
1.00
43.58
C

ATOM
1747
O
VAL A
237
−1.937
−9.550
19.217
1.00
45.02
O

ATOM
1748
N
ARG A
238
−3.247
−10.788
17.748
1.00
44.01
N

ATOM
1749
CA
ARG A
238
−3.229
−9.952
16.563
1.00
43.77
C

ATOM
1750
CB
ARG A
238
−2.466
−10.727
15.519
1.00
43.96
C

ATOM
1751
CG
ARG A
238
−2.163
−9.977
14.340
1.00
46.38
C

ATOM
1752
CD
ARG A
238
−1.646
−10.830
13.162
1.00
48.56
C

ATOM
1753
NE
ARG A
238
−1.739
−9.916
12.012
1.00
50.91
N

ATOM
1754
CZ
ARG A
238
−0.716
−9.408
11.316
1.00
49.36
C

ATOM
1755
NH1
ARG A
238
−0.978
−8.533
10.353
1.00
47.57
N

ATOM
1756
NH2
ARG A
238
0.548
−9.793
11.544
1.00
48.90
N

ATOM
1757
C
ARG A
238
4.697
9.892
16.139
1.00
44.20
C

ATOM
1758
O
ARG A
238
−5.389
−10.925
16.131
1.00
43.52
O

ATOM
1759
N
GLY A
239
−5.217
−8.697
15.829
1.00
43.51
N

ATOM
1760
CA
GLY A
239
−6.610
−8.621
15.380
1.00
42.07
C

ATOM
1761
C
GLY A
239
−6.658
−8.596
13.882
1.00
42.44
C

ATOM
1762
O
GLY A
239
−5.264
−8.536
13.243
1.00
42.12
O

ATOM
1763
N
ASN A
240
−7.856
−8.629
13.304
1.00
43.46
N

ATOM
1764
CA
ASN A
240
−8.018
−8.416
11.851
1.00
44.87
C

ATOM
1765
CB
ASN A
240
−9.477
−8.539
11.493
1.00
44.96
C

ATOM
1766
CG
ASN A
240
−9.971
−9.863
11.778
1.00
48.65
C

ATOM
1767
OD1
ASN A
240
−9.413
−10.825
11.262
1.00
52.52
O

ATOM
1768
ND2
ASN A
240
−10.969
−9.978
12.660
1.00
50.19
N

ATOM
1769
C
ASN A
240
−7.571
−7.053
11.396
1.00
45.24
C

ATOM
1770
O
ASN A
240
−7.832
−6.040
12.103
1.00
45.75
O

ATOM
1771
N
HIS A
241
−6.930
−6.986
10.230
1.00
45.51
N

ATOM
1772
CA
HIS A
241
−6.515
−5.670
9.738
1.00
46.35
C

ATOM
1773
CB
HIS A
241
−5.860
−5.787
8.381
1.00
47.40
C

ATOM
1774
CG
HIS A
241
−6.769
−6.323
7.319
1.00
55.30
C

ATOM
1775
ND1
HIS A
241
−6.670
−7.616
6.832
1.00
57.08
N

ATOM
1776
CE1
HIS A
241
−7.598
−7.800
5.907
1.00
59.02
C

ATOM
1777
NE2
HIS A
241
−8.303
−6.682
6.783
1.00
60.98
N

ATOM
1778
CD2
HIS A
241
−7.807
−5.740
6.653
1.00
59.09
C

ATOM
1779
C
HIS A
241
−7.745
−4.748
9.734
1.00
44.85
C

ATOM
1780
O
HIS A
241
−8.850
−5.242
9.645
1.00
45.67
O

ATOM
1781
N
ILE A
242
−7.581
−3.441
9.920
1.00
43.66
N

ATOM
1782
CA
ILE A
242
−8.720
−2.486
9.890
1.00
41.89
C

ATOM
1783
CB
ILE A
242
−8.793
−1.665
11.180
1.00
41.97
C

ATOM
1784
CG1
ILE A
242
−9.162
−2.558
12.350
1.00
41.43
C

ATOM
1785
CD1
ILE A
242
−8.308
−2.363
13.538
1.00
42.10
C

ATOM
1786
CG2
ILE A
242
−9.808
−0.563
11.077
1.00
40.89
C

ATOM
1787
C
ILE A
242
−8.529
−1.536
8.731
1.00
41.37
C

ATOM
1788
O
ILE A
242
−7.591
−0.739
8.706
1.00
40.96
O

ATOM
1789
N
ILE A
243
−9.401
−1.631
7.742
1.00
40.70
N

ATOM
1790
CA
ILE A
243
−9.269
−0.774
6.584
1.00
39.46
C

ATOM
1791
CB
ILE A
243
−10.127
−1.290
5.454
1.00
38.93
C

ATOM
1792
CG1
ILE A
243
−11.611
−1.229
5.775
1.00
38.76
C

ATOM
1793
CD1
ILE A
243
−12.510
−1.520
4.495
1.00
36.76
C

ATOM
1794
CG2
ILE A
243
−9.765
−2.640
5.146
1.00
35.37
C

ATOM
1795
C
ILE A
243
−9.615
0.693
6.877
1.00
40.78
C

ATOM
1796
O
ILE A
243
−10.311
1.014
7.882
1.00
40.62
O

ATOM
1797
N
SER A
244
−9.132
1.584
5.998
1.00
41.15
N

ATOM
1798
CA
SER A
244
−9.387
3.018
6.137
1.00
42.54
C

ATOM
1799
CB
SER A
244
−8.761
3.802
4.978
1.00
43.09
C

ATOM
1800
OG
SER A
244
−9.345
5.118
4.840
1.00
45.81
O

ATOM
1801
C
SER A
244
−10.892
3.301
6.235
1.00
42.36
C

ATOM
1802
O
SER A
244
−11.687
2.593
5.628
1.00
43.36
O

ATOM
1803
N
GLY A
245
−11.283
4.318
6.996
1.00
42.11
N

ATOM
1804
CA
GLY A
245
−12.669
4.646
7.155
1.00
41.60
C

ATOM
1805
C
GLY A
245
−13.456
3.560
7.867
1.00
43.12
C

ATOM
1806
O
GLY A
245
−14.634
3.445
7.616
1.00
44.17
O

ATOM
1807
N
THR A
246
−12.844
2.747
8.750
1.00
43.49
N

ATOM
1808
CA
THR A
246
−13.628
1.841
9.614
1.00
43.41
C

ATOM
1809
CB
THR A
246
−13.665
0.404
9.115
1.00
43.94
C

ATOM
1810
OG1
THR A
246
−12.327
−0.033
8.893
1.00
45.42
O

ATOM
1811
CG2
THR A
246
−14.449
0.296
7.838
1.00
43.65
C

ATOM
1812
C
THR A
246
−13.109
1.785
11.033
1.00
43.54
C

ATOM
1813
O
THR A
246
−12.081
2.370
11.332
1.00
43.23
O

ATOM
1814
N
CYS A
247
−13.872
1.102
11.897
1.00
44.45
N

ATOM
1815
CA
CYS A
247
−13.503
0.759
13.288
1.00
45.13
C

ATOM
1816
CB
CYS A
247
−14.357
1.494
14.321
1.00
44.68
C

ATOM
1817
SG
CYS A
247
−14.498
3.261
14.158
1.00
48.61
S

ATOM
1818
C
CYS A
247
−13.824
−0.695
13.506
1.00
45.05
C

ATOM
1819
O
CYS A
247
−14.743
−1.231
12.866
1.00
45.24
O

ATOM
1820
N
ALA A
248
13.111
−1.308
14.447
1.00
44.48
N

ATOM
1821
CA
ALA A
248
−13.432
−2.653
14.912
1.00
43.85
C

ATOM
1822
CB
ALA A
248
−12.570
−3.700
14.227
1.00
43.79
C

ATOM
1823
C
ALA A
248
−13.214
−2.684
16.403
1.00
43.50
C

ATOM
1824
O
ALA A
248
−12.684
−1.717
16.971
1.00
43.41
O

ATOM
1825
N
SER A
249
−13.592
−3.827
16.998
1.00
43.05
N

ATOM
1826
CA
SER A
249
−13.785
−4.035
18.443
1.00
41.27
C

ATOM
1827
CB
SER A
249
−15.255
−4.071
18.719
1.00
40.45
C

ATOM
1828
OG
SER A
249
−15.639
−2.776
18.970
1.00
42.33
O

ATOM
1829
C
SER A
249
−13.245
−5.351
18.972
1.00
40.58
C

ATOM
1830
O
SER A
249
−13.285
−6.361
18.268
1.00
38.98
O

ATOM
1831
N
TRP A
250
−12.738
−5.319
20.211
1.00
40.32
N

ATOM
1832
CA
TRP A
250
−12.508
−6.551
20.948
1.00
40.82
C

ATOM
1833
CB
TRP A
250
−11.057
−6.689
21.483
1.00
40.67
C

ATOM
1834
CG
TRP A
250
−10.047
−6.794
20.429
1.00
39.94
C

ATOM
1835
CD1
TRP A
250
−10.281
−6.986
19.075
1.00
39.55
C

ATOM
1836
NE1
TRP A
250
−9.090
−7.008
18.383
1.00
40.18
N

ATOM
1837
CE2
TRP
250
−8.059
−6.836
19.278
1.00
40.11
C

ATOM
1838
CD2
TRP A
250
−8.634
−6.684
20.578
1.00
39.41
C

ATOM
1839
CE3
TRP A
250
−7.785
−6.526
21.668
1.00
38.75
C

ATOM
1840
CZ3
TRP A
250
−6.379
−6.544
21.430
1.00
36.16
C

ATOM
1841
CH2
TRP A
250
−5.862
−6.659
20.143
1.00
34.07
C

ATOM
1842
CZ2
TRP A
250
−6.670
−6.818
19.060
1.00
36.63
C

ATOM
1843
C
TRP A
250
−13.504
−6.587
22.076
1.00
40.86
C

ATOM
1844
O
TRP A
250
−13.761
−5.587
22.727
1.00
40.92
O

ATOM
1845
N
ARG A
251
−14.077
−7.750
22.305
1.00
41.84
N

ATOM
1846
CA
ARG A
251
−15.141
−7.882
23.311
1.00
42.37
C

ATOM
1847
CB
ARG A
251
−16.511
−7.966
22.633
1.00
41.29
C

ATOM
1848
CG
ARG A
251
−16.900
−6.675
22.014
1.00
38.27
C

ATOM
1849
CD
ARG A
251
−17.206
−5.717
23.066
1.00
38.21
C

ATOM
1850
NE
ARG A
251
−17.660
−4.464
22.521
1.00
43.40
N

ATOM
1851
CZ
ARG A
251
−16.867
−3.428
22.289
1.00
44.50
C

ATOM
1852
NH1
ARG A
251
−15.577
−3.515
22.538
1.00
50.06
N

ATOM
1853
NH2
ARG A
251
−17.348
−2.305
21.814
1.00
44.99
N

ATOM
1854
C
ARG A
251
−14.872
−9.144
24.023
1.00
43.01
C

ATOM
1855
O
ARG A
251
−15.343
−10.185
23.616
1.00
43.90
O

ATOM
1856
N
GLY A
252
−14.016
−9.075
25.020
1.00
44.32
N

ATOM
1857
CA
GLY A
252
−13.658
−10.279
25.771
1.00
45.70
C/

ATOM
1858
C
GLY A
252
−12.513
−11.075
25.172
1.00
45.94
C

ATOM
1859
O
GLY A
252
−12.158
−12.135
25.691
1.00
47.33
O

ATOM
1860
N
LYS A
253
−11.954
−10.576
24.086
1.00
44.79
N

ATOM
1861
CA
LYS A
253
−10.784
−11.153
23.526
1.00
45.35
C

ATOM
1862
CB
LYS A
253
−10.260
−10.270
22.410
1.00
45.65
C

ATOM
1863
CG
LYS A
253
−8.828
−10.527
22.084
1.00
46.48
C

ATOM
1864
CD
LYS A
253
−8.687
−11.222
20.765
1.00
48.09
C

ATOM
1865
CE
LYS A
253
−8.865
−10.251
19.621
1.00
47.17
C

AOTM
1866
NZ
LYS A
253
−8.980
−11.072
18.436
1.00
50.58
N

ATOM
1867
C
LYS A
253
−9.765
−11.206
24.642
1.00
45.78
C

ATOM
1868
O
LYS A
253
−9.634
−10.263
25.423
1.00
46.65
O

ATOM
1869
N
SER A
254
−9.045
−12.319
24.721
1.00
45.73
N

ATOM
1870
CA
SER A
254
−8.394
−12.692
25.973
1.00
45.16
C

ATOM
1871
CB
SER A
254
−9.280
−13.722
26.725
1.00
45.35
C

ATOM
1872
OG
SER A
254
−8.917
−15.077
26.487
1.00
47.55
O

ATOM
1873
C
SER A
254
−6.907
−13.145
25.809
1.00
43.70
C

ATOM
1874
O
SER A
254
−6.579
−13.813
24.847
1.00
42.32
O

ATOM
1875
N
LEU A
255
−6.031
−12.741
26.736
1.00
42.45
N

ATOM
1876
CA
LEU A
255
−4.649
−13.184
26.722
1.00
41.63
C

ATOM
1877
CB
LEU A
255
−3.716
−11.998
26.771
1.00
41.01
C

ATOM
1878
CG
LEU A
255
−3.293
−11.348
25.513
1.00
37.95
C

ATOM
1879
CD1
LEU A
255
−2.474
−10.226
25.949
1.00
37.80
C

ATOM
1880
CD2
LEU A
255
−2.475
−12.332
24.818
1.00
39.33
C

ATOM
1881
C
LEU A
255
−4.390
−13.950
27.982
1.00
42.36
C

ATOM
1882
O
LEU A
255
−4.828
−13.514
29.050
1.00
41.87
O

ATOM
1883
N
ARG A
256
−3.625
−15.031
27.844
1.00
42.04
N

ATOM
1884
CA
ARG A
256
−3.276
−15.947
28.911
1.00
44.20
C

ATOM
1885
CB
ARG A
256
−2.830
−17.297
28.258
1.00
44.46
C

ATOM
1886
CG
ARG A
256
−2.176
−18.358
29.165
1.00
44.03
C

ATOM
1887
CD
ARG A
256
−3.105
−18.740
30.328
1.00
52.30
C

ATOM
1888
NE
ARG A
256
−4.314
−19.480
29.927
1.00
55.85
N

ATOM
1889
CZ
ARG A
256
−4.358
−20.799
29.664
1.00
58.59
C

ATOM
1890
NH1
ARG A
256
−3.254
−21.544
29.710
1.00
55.50
N

ATOM
1891
NH2
ARG A
256
−5.516
−21.377
29.303
1.00
60.80
N

ATOM
1892
C
ARG A
256
−2.134
−15.357
29.727
1.00
44.86
C

ATOM
1893
O
ARG A
256
−1.203
−14.780
29.157
1.00
44.39
O

ATOM
1894
N
VAL A
257
−2.141
−15.565
31.041
1.00
45.98
N

ATOM
1895
CA
VAL A
257
−0.953
−15.190
31.825
1.00
47.59
C

ATOM
1896
CB
VAL A
257
−1.338
−14.528
33.140
1.00
46.66
C

ATOM
1897
CG1
VAL A
257
−0.137
−13.858
33.744
1.00
45.37
C

ATOM
1898
CG2
VAL A
257
−2.417
−13.523
32.887
1.00
45.29
C

ATOM
1899
C
VAL A
257
−0.074
−16.388
32.111
1.00
49.86
C

ATOM
1900
O
VAL A
257
−0.395
−17.204
32.982
1.00
50.96
O

ATOM
1901
N
GLN A
258
1.034
−16.513
31.392
1.00
52.45
N

ATOM
1902
CA
GLN A
258
1.902
−17.698
31.557
1.00
54.37
C

ATOM
1903
CB
GLN A
258
2.561
−18.081
30.242
1.00
53.91
C

ATOM
1904
CG
GLN A
258
2.391
−17.033
29.162
1.00
56.91
C

ATOM
1905
CD
GLN A
258
3.068
−17.378
27.849
1.00
57.90
C

ATOM
1906
OE1
GLN A
258
2.630
−18.265
27.101
1.00
59.70
O

ATOM
1907
NE2
GLN A
258
4.124
−16.650
27.545
1.00
57.19
N

ATOM
1908
C
GLN A
258
2.940
−17.512
32.678
1.00
55.95
C

ATOM
1909
O
GLN A
258
3.409
−16.366
32.922
1.00
55.04
O

ATOM
1910
N
LYS A
259
3.230
−18.625
33.390
1.00
57.95
N

ATOM
1911
CA
LYS A
259
4.351
−18.717
34.355
1.00
60.10
C

ATOM
1912
CB
LYS A
259
4.489
−20.133
34.927
1.00
60.43
C

ATOM
1913
CG
LYS A
259
3.181
−20.858
35.292
1.00
63.67
C

ATOM
1914
CD
LYS A
259
3.209
−22.414
34.966
1.00
66.34
C

ATOM
1915
CE
LYS A
259
2.865
−22.696
33.437
1.00
66.97
C

ATOM
1916
NZ
LYS A
259
2.104
−23.982
33.228
1.00
65.53
N

ATOM
1917
C
LYS A
259
5.639
−18.417
33.608
1.00
61.14
C

ATOM
1918
O
LYS A
259
5.760
−18.741
32.441
1.00
60.48
O

ATOM
1919
N
ILE A
260
6.623
−17.815
34.256
1.00
63.51
N

ATOM
1920
CA
ILE A
260
7.957
−17.731
33.615
1.00
65.22
C

ATOM
1921
CB
ILE A
260
8.680
−16.412
33.929
1.00
65.30
C

ATOM
1922
CG1
ILE A
260
7.735
−15.232
33.603
1.00
64.89
C

ATOM
1923
CD1
ILE A
260
8.311
−14.169
32.710
1.00
63.98
C

ATOM
1924
CG2
ILE A
260
10.098
−16.391
33.249
1.00
64.71
C

ATOM
1925
C
ILE A
260
8.797
−18.928
34.078
1.00
65.58
C

ATOM
1926
O
ILE A
260
8.321
−19.714
34.917
1.00
66.90
O

ATOM
1927
N
ARG A
261
10.020
−19.073
33.546
1.00
67.89
N

ATOM
1928
CA
ARG A
261
10.980
−20.095
34.029
1.00
68.69
C

ATOM
1929
CB
ARG A
261
11.797
−20.668
32.873
1.00
68.73
C

ATOM
1930
CG
ARG A
261
11.626
−22.188
32.693
1.00
71.95
C

ATOM
1931
CD
ARG A
261
12.576
−23.014
33.637
1.00
75.42
C

ATOM
1932
NE
ARG A
261
13.753
−22.226
34.056
1.00
76.35
N

ATOM
1933
CZ
ARG A
261
14.934
−22.218
33.429
1.00
76.13
C

ATOM
1934
NH1
ARG A
261
15.127
−22.978
32.351
1.00
75.58
N

ATOM
1935
NH2
ARG A
261
15.930
−21.448
33.878
1.00
74.58
N

ATOM
1936
C
ARG A
261
11.887
−19.595
35.164
1.00
68.51
C

ATOM
1937
O
ARG A
261
11.736
−20.010
36.324
1.00
68.18
O

ATOM
1938
N
ASN A
268
19.389
−13.865
40.743
1.00
65.44
N

ATOM
1939
CA
ASN A
268
19.999
−12.556
40.441
1.00
65.39
C

ATOM
1940
CB
ASN A
268
21.320
−12.719
39.665
1.00
65.21
C

ATOM
1941
CG
ASN A
268
22.543
−12.273
40.502
1.00
66.25
C

ATOM
1942
OD1
ASN A
268
22.425
12.044
41.713
1.00
62.39
C

ATOM
1943
ND2
ASN A
268
23.714
−12.125
39.849
1.00
67.53
N

ATOM
1944
C
ASN A
268
19.090
−11.465
39.800
1.00
64.95
C

ATOM
1945
O
ASN A
268
19.542
−10.370
39.410
1.00
65.09
O

ATOM
1946
N
ILE A
269
17.810
−11.758
39.696
1.00
63.89
N

ATOM
1947
CA
ILE A
269
16.891
−10.737
39.232
1.00
63.44
C

ATOM
1948
CB
ILE A
269
15.777
−11.347
38.329
1.00
64.00
C

ATOM
1949
CG1
ILE A
269
15.199
−12.604
38.978
1.00
64.25
C

ATOM
1950
CD1
ILE A
269
13.722
−12.739
38.713
1.00
68.77
C

ATOM
1951
CG2
ILE A
269
16.335
−11.704
35.916
1.00
64.48
C

ATOM
1952
C
ILE A
269
16.302
−10.116
40.493
1.00
61.67
C

ATOM
1953
O
ILE A
269
16.033
−10.875
41.436
1.00
62.18
O

ATOM
1954
N
LEU A
270
16.116
−8.781
40.531
1.00
58.75
N

ATOM
1955
CA
LEU A
270
15.429
−8.125
41.682
1.00
55.54
C

ATOM
1956
CB
LEU A
270
15.749
−6.642
41.782
1.00
54.79
C

ATOM
1957
CG
LEU A
270
17.256
−6.393
41.727
1.00
53.81
C

ATOM
1958
CD1
LEU A
270
17.613
−5.326
40.779
1.00
48.96
C

ATOM
1959
CD2
LEU A
270
17.757
−6.037
43.050
1.00
49.73
C

ATOM
1960
C
LEU A
270
13.952
−8.319
41.523
1.00
54.43
C

ATOM
1961
O
LEU A
270
13.319
−8.941
42.362
1.00
53.41
O

ATOM
1962
N
ARG A
271
13.419
−7.847
40.400
1.00
53.65
N

ATOM
1963
CA
ARG A
271
11.988
−7.963
40.119
1.00
53.06
C

ATOM
1964
CB
ARG A
271
11.320
−6.685
40.553
1.00
52.89
C

ATOM
1965
CG
ARG A
271
11.940
−5.508
39.894
1.00
51.87
C

ATOM
1966
CD
ARG A
271
11.430
−4.269
40.478
1.00
49.59
C

ATOM
1967
NE
ARG A
271
12.615
−3.546
40.882
1.00
53.41
N

ATOM
1968
CZ
ARG A
271
13.045
−2.419
40.343
1.00
52.77
C

ATOM
1969
NH1
ARG A
271
12.361
−1.823
39.386
1.00
53.39
N

ATOM
1970
NH2
ARG A
271
14.160
−1.867
40.799
1.00
55.05
N

ATOM
1971
C
ARG A
271
11.668
−8.167
38.641
1.00
53.57
C

ATOM
1972
O
ARG A
271
12.533
−7.961
37.752
1.00
54.29
O

ATOM
1973
N
VAL A
272
10.422
−8.550
38.372
1.00
52.65
N

ATOM
1974
CA
VAL A
272
9.910
−8.525
37.003
1.00
52.83
C

ATOM
1975
CB
VAL A
272
9.376
−9.891
36.558
1.00
52.33
C

ATOM
1976
CG1
VAL A
272
9.044
−9.972
35.001
1.00
51.74
C

ATOM
1977
CG2
VAL A
272
10.214
−10.962
37.088
1.00
52.37
C

ATOM
1978
C
VAL A
272
8.732
−7.561
38.966
1.00
52.65
C

ATOM
1979
O
VAL A
272
7.758
−7.794
37.617
1.00
54.26
O

ATOM
1980
N
GLU A
273
8.806
−6.484
36.221
1.00
51.92
N

ATOM
1981
CA
GLU A
273
7.632
−5.675
35.993
1.00
51.18
C

ATOM
1982
CB
GLU A
273
8.023
−4.215
35.875
1.00
52.40
C

ATOM
1983
CG
GLU A
273
8.561
−3.585
37.162
1.00
55.83
C

ATOM
1984
CD
GLU A
273
9.350
−2.319
36.861
1.00
61.55
C

ATOM
1985
OE1
GLU A
273
9.164
−1.723
35.712
1.00
65.47
O

ATOM
1986
OE2
GLU A
273
10.144
−1.941
37.770
1.00
56.53
O

ATOM
1987
C
GLU A
273
6.912
6.091
34.704
1.00
49.53
C

ATOM
1988
O
GLU A
273
7.523
−6.298
33.674
1.00
48.98
O

ATOM
1989
N
TYR A
274
5.595
−6.154
34.784
1.00
48.17
N

ATOM
1990
CA
TYR A
274
4.713
−6.653
33.743
1.00
45.83
C

ATOM
1991
CB
TYR A
274
3.842
−7.655
34.388
1.00
45.71
C

ATOM
1992
CG
TYR A
274
4.557
−8.878
34.791
1.00
45.71
C

ATOM
1993
CD1
TYR A
274
4.716
−9.930
33.887
1.00
45.97
C

ATOM
1994
CE1
TYR A
274
5.360
−11.106
34.260
1.00
45.17
C

ATOM
1995
CZ
TYR A
274
5.833
−11.238
35.549
1.00
44.97
C

ATOM
1996
OH
TYR A
274
6.433
−12.393
35.896
1.00
9.54
O

ATOM
1997
CE2
TYR A
274
5.686
−10.231
36.479
1.00
47.15
C

ATOM
1998
CD2
TYR A
274
5.025
−9.037
36.091
1.00
48.15
C

ATOM
1999
C
TYR A
274
3.795
−5.606
33.142
1.00
44.20
C

ATOM
2000
O
TYR A
274
3.422
−4.661
33.814
1.00
45.17
O

ATOM
2001
N
SER A
275
3.444
−5.744
31.877
1.00
41.99
N

ATOM
2002
CA
SER A
275
2.585
−4.750
31.263
1.00
41.57
C

ATOM
2003
CB
SER A
275
3.388
−3.650
30.532
1.00
42.58
C

ATOM
2004
OG
SER A
275
3.662
−2.507
31.341
1.00
44.08
O

ATOM
2005
C
SER A
275
1.752
−5.414
30.256
1.00
39.91
C

ATOM
2006
O
SER A
275
2.181
−6.387
29.631
1.00
40.86
O

ATOM
2007
N
LEU A
276
0.560
−4.885
30.079
1.00
38.14
N

ATOM
2008
CA
LEU A
276
−0.228
−5.198
28.937
1.00
37.09
C

ATOM
2009
CB
LEU A
276
−1.650
−5.396
29.355
1.00
36.78
C

ATOM
2010
CG
LEU A
276
−2.694
−5.653
28.256
1.00
35.00
C

ATOM
2011
CD1
LEU A
276
−2.365
−6.856
27.323
1.00
30.33
C

ATOM
2012
CD2
LEU A
276
−3.866
−5.920
29.039
1.00
28.95
C

ATOM
2013
C
LEU A
276
−0.120
−4.043
27.951
1.00
37.82
C

ATOM
2014
O
LEU A
276
−0.392
−2.887
28.277
1.00
37.39
O

ATOM
2015
N
LEU A
277
0.330
−4.388
26.755
1.00
38.11
N

ATOM
2016
CA
LEU A
277
0.483
−3.476
25.671
1.00
38.38
C

ATOM
2017
CB
LEU A
277
1.837
−3.720
24.982
1.00
38.74
C

ATOM
2018
CG
LEU A
277
3.067
−2.851
25.387
1.00
39.05
C

ATOM
2019
CD1
LEU A
277
3.094
−2.412
26.844
1.00
34.62
C

ATOM
2020
CD2
LEU A
277
4.318
−3.616
25.078
1.00
41.16
C

ATOM
2021
C
LEU A
277
−0.631
3.716
24.704
1.00
38.57
C

ATOM
2022
O
LEU A
277
−0.812
−4.813
24.223
1.00
39.80
O

ATOM
2023
N
ILE A
278
−1.400
−2.675
24.493
1.00
39.62
N

ATOM
2024
CA
ILE A
278
−2.403
−2.687
23.370
1.00
39.22
C

ATOM
2025
CB
ILE A
278
−3.815
−2.408
32.911
1.00
39.39
C

ATOM
2026
CG1
ILE A
278
−4.271
−3.546
24.806
1.00
41.53
C

ATOM
2027
CD1
ILE A
278
−5.018
−3.045
26.038
1.00
41.68
C

ATOM
2028
CG2
ILE A
278
−4.804
−2.498
22.808
1.00
40.95
C

ATOM
2029
C
ILE A
278
−1.949
−1.600
22.385
1.00
38.52
C

ATOM
2030
O
ILE A
278
−1.775
−0.441
22.764
1.00
38.49
O

ATOM
2031
N
TYR A
279
−1.713
−1.988
21.139
1.00
37.38
N

ATOM
2032
CA
TYR A
279
1.108
1.083
20.191
1.00
37.10
C

ATOM
2033
CB
TYR A
279
0.457
−1.129
20.229
1.00
36.90
C

ATOM
2034
CG
TYR A
279
1.147
−2.493
19.924
1.00
40.58
C

ATOM
2035
CD1
TYR A
279
1.082
−3.585
20.843
1.00
39.98
C

ATOM
2036
CE1
TYR A
279
1.703
−4.842
20.525
1.00
40.30
C

ATOM
2037
CZ
TYR A
279
2.402
−4.974
19.315
1.00
39.02
C

ATOM
2038
OH
TYR A
279
2.991
−6.175
18.994
1.00
39.60
O

ATOM
2039
CE2
TYR A
279
2.492
−3.900
18.417
1.00
36.52
C

ATOM
2040
CD2
TYR A
279
1.874
−2.694
18.704
1.00
37.00
C

ATOM
2041
C
TYR A
279
−1.745
−1.247
18.820
1.00
36.61
C

ATOM
2042
O
TYR A
279
−2.409
−2.215
18.526
1.00
36.79
O

ATOM
2043
N
VAL A
280
−1.660
−0.238
18.00
1.00
36.12
N

ATOM
2044
CA
VAL A
280
−2.184
−0.394
16.681
1.00
35.05
C

ATOM
2045
CB
VAL A
280
−3.213
0.704
16.265
1.00
35.30
C

ATOM
2046
CG1
VAL A
280
−3.640
0.486
14.804
1.00
34.26
C

ATOM
2047
CG2
VAL A
280
−4.381
0.690
17.135
1.00
33.18
C

ATOM
2048
C
VAL A
280
−0.975
−0.107
15.901
1.00
34.49
C

ATOM
2049
O
VAL A
280
−0.380
0.959
16.002
1.00
34.98
O

ATOM
2050
N
SER A
281
−0.601
−1.041
15.089
1.00
34.02
N

ATOM
2051
CA
SER A
281
0.550
−0.806
14.270
1.00
35.18
C

ATOM
2052
CB
SER A
281
1.280
−2.126
14.138
1.00
34.38
C

ATOM
2053
OG
SERA
281
1.525
−2.327
12.821
1.00
35.73
O

ATOM
2054
C
SER A
281
0.163
−0.118
12.933
1.00
35.69
C

ATOM
2055
O
SER A
281
−0.828
−0.457
12.301
1.00
33.97
O

ATOM
2056
N
VAL A
282
0.933
0.890
12.532
1.00
38.71
N

ATOM
2057
CA
VAL A
282
0.544
1.795
11.376
1.00
40.25
C

ATOM
2058
CB
VAL A
282
0.241
3.234
11.852
1.00
39.18
C

ATOM
2059
CG1
VAL A
282
−0.140
4.060
10.706
1.00
40.09
C

ATOM
2060
CG2
VAL A
282
−0.888
3.240
12.853
1.00
39.62
C

ATOM
2061
C
VAL A
282
1.618
1.865
10.281
1.00
41.19
C

ATOM
2062
O
VAL A
282
2.672
2.428
10.502
1.00
41.14
O

ATOM
2063
N
PRO A
283
1.359
1.273
9.107
1.00
42.67
N

ATOM
2064
CA
PRO A
283
2.446
1.188
8.125
1.00
44.35
C

ATOM
2065
CB
PRO A
283
1.808
0.426
6.497
1.00
43.22
C

ATOM
2066
CG
PRO A
283
0.691
−0.318
7.537
1.00
43.02
C

ATOM
2067
CD
PRO A
283
0.143
0.614
8.610
1.00
42.87
C

ATOM
2068
C
PRO A
283
2.923
2.572
7.706
1.00
45.51
C

ATOM
2069
O
PRO A
283
2.080
3.413
7.429
1.00
46.40
O

ATOM
2070
N
GLY A
284
4.251
2.790
7.681
1.00
46.60
N

ATOM
2071
CA
GLY A
284
4.847
4.106
7.456
1.00
47.28
C

ATOM
2072
C
GLY A
284
4.948
5.028
8.682
1.00
48.87
C

ATOM
2073
O
GLY A
284
5.427
6.172
8.549
1.00
49.34
O

ATOM
2074
N
SER A
285
4.532
4.567
9.874
1.00
48.33
N

ATOM
2075
CA
SER A
285
4.489
5.441
11.050
1.00
49.03
C

ATOM
2076
CB
SER A
285
3.147
6.189
11.143
1.00
49.89
C

ATOM
2077
OG
SER A
285
2.951
7.040
10.023
1.00
54.03
O

ATOM
2078
C
SER A
285
4.760
4.727
12.388
1.00
48.99
C

ATOM
2079
O
SER A
285
4.842
3.493
12.446
1.00
50.09
O

ATOM
2080
N
LYS A
286
4.903
5.494
13.470
1.00
47.51
N

ATOM
2081
CA
LYS A
286
5.153
4.880
14.675
1.00
46.39
C

ATOM
2082
CB
LYS A
286
5.716
5.932
15.748
1.00
46.87
C

ATOM
2083
CG
LYS A
286
7.166
6.329
15.515
1.00
48.40
C

ATOM
2084
CD
LYS A
286
7.328
7.832
15.650
1.00
52.11
C

ATOM
2085
CE
LYS A
286
8.794
8.193
15.763
1.00
54.41
C

ATOM
2086
NZ
LYS A
286
9.293
7.856
17.152
1.00
59.34
N

ATOM
2087
C
LYS A
286
3.864
4.210
15.306
1.00
44.71
C

ATOM
2088
O
LYS A
286
2.792
4.685
15.044
1.00
44.20
O

ATOM
2089
N
LYS A
287
3.976
3.117
16.049
1.00
43.36
N

ATOM
2090
CA
LYS A
287
2.820
2.518
16.704
1.00
42.67
C

ATOM
2091
CB
LYS A
287
3.261
1.366
17.608
1.00
41.54
C

ATOM
2092
CG
LYS A
287
3.917
0.244
16.828
1.00
43.83
C

ATOM
2093
CD
LYS A
287
4.637
−0.754
17.738
1.00
43.93
C

ATOM
2094
CE
LYS A
287
5.183
−1.900
16.921
1.00
44.16
C

ATOM
2095
NZ
LYS A
287
6.625
−1.768
16.445
1.00
49.47
N

ATOM
2096
C
LYS A
287
2.030
3.552
17.527
1.00
42.74
C

ATOM
2097
O
LYS A
287
2.588
4.623
17.903
1.00
43.55
O

ATOM
2098
N
VAL A
288
0.742
3.252
17.763
1.00
40.87
N

ATOM
2099
CA
VAL A
288
−0.073
3.947
18.772
1.00
39.55
C

ATOM
2100
CB
VAL A
288
−1.494
4.375
18.245
1.00
39.44
C

ATOM
2101
CG1
VAL A
288
−2.272
5.199
19.261
1.00
35.69
C

ATOM
2102
CG2
VAL A
288
−1.384
5.101
16.937
1.00
39.30
C

ATOM
2103
C
VAL A
288
−0.233
2.857
19.803
1.00
39.46
C

ATOM
2104
O
VAL A
288
−0.896
1.826
19.539
1.00
39.13
O

ATOM
2105
N
ILE A
289
0.366
3.107
20.965
1.00
39.04
N

ATOM
2106
CA
ILE A
289
0.675
2.116
22.012
1.00
38.13
C

ATOM
2107
CB
ILE A
289
2.240
2.119
22.333
1.00
37.39
C

ATOM
2108
CG1
ILE A
289
3.115
1.540
21.249
1.00
36.08
C

ATOM
2109
CD1
ILE A
289
4.489
2.180
21.267
1.00
33.34
C

ATOM
2110
CG2
ILE A
289
2.549
1.342
23.543
1.00
37.64
C

ATOM
2111
C
ILE A
289
0.015
2.603
23.308
1.00
39.08
C

ATOM
2112
O
ILE A
289
0.338
3.740
23.784
1.00
40.12
O

ATOM
2113
N
LEU A
290
−0.894
1.792
23.871
1.00
38.76
N

ATOM
2114
CA
LEU A
290
−1.181
1.803
25.323
1.00
38.52
C

ATOM
2115
CB
LEU A
290
−2.623
1.455
25.547
1.00
38.30
C

ATOM
2116
CG
LEU A
290
−3.716
2.126
24.774
1.00
39.48
C

ATOM
2117
CD1
LEU A
290
−5.004
1.384
25.096
1.00
37.18
C

ATOM
2118
CD2
LEU A
290
−3.881
3.687
25.045
1.00
38.51
C

ATOM
2119
C
LEU A
290
−0.337
0.775
26.106
1.00
38.76
C

ATOM
2120
O
LEU A
290
−0.247
−0.423
25.742
1.00
38.07
O

ATOM
2121
N
ASP A
291
0.259
1.234
27.201
1.00
39.30
N

ATOM
2122
CA
ASP A
291
1.023
0.386
28.126
1.00
38.65
C

ATOM
2123
CB
ASP A
291
2.358
1.021
28.341
1.00
37.93
C

ATOM
2124
CG
ASP A
291
3.238
0.242
29.272
1.00
43.23
C

ATOM
2125
OD1
ASP A
291
2.740
−0.328
30.299
1.00
48.52
O

ATOM
2126
OD2
ASP A
291
4.472
0.209
28.988
1.00
44.65
O

ATOM
2127
C
ASP A
291
0.285
0.378
29.440
1.00
38.48
C

ATOM
2128
O
ASP A
291
0.286
1.370
30.140
1.00
38.87
O

ATOM
2129
N
LEU A
292
−0.325
−0.745
29.794
1.00
38.88
N

ATOM
2130
CA
LEU A
292
−1.106
−0.858
31.013
1.00
38.69
C

ATOM
2131
CB
LEU A
292
−2.366
−1.600
30.679
1.00
37.44
C

ATOM
2132
CG
LEU A
292
−3.609
−0.781
30.457
1.00
34.22
C

ATOM
2133
CD1
LEU A
292
−3.184
0.571
30.078
1.00
35.26
C

ATOM
2134
CD2
LEU A
292
−4.455
−1.412
29.379
1.00
29.48
C

ATOM
2135
C
LEU A
292
−0.434
−1.676
32.062
1.00
40.54
C

ATOM
2136
O
LEU A
292
−0.395
−2.870
31.951
1.00
41.57
O

ATOM
2137
N
PRO A
293
0.074
−1.056
33.127
1.00
42.41
N

ATOM
2138
CA
PRO A
293
0.837
−1.879
34.121
1.00
42.28
C

ATOM
2139
CB
PRO A
293
1.274
−0.842
35.153
1.00
42.21
C

ATOM
2140
CG
PRO A
293
1.242
0.497
34.386
1.00
43.55
C

ATOM
2141
CD
PRO A
293
0.028
0.370
−33.508
1.00
42.97
C

ATOM
2142
C
PRO A
293
0.057
−2.998
34.821
1.00
41.99
C

ATOM
2143
O
PRO A
293
−1.062
−2.812
35.293
1.00
41.88
O

ATOM
2144
N
LEU A
294
0.674
−4.154
34.920
1.00
41.62
N

ATOM
2145
CA
LEU A
294
0.121
−5.218
35.727
1.00
41.16
C

ATOM
2146
CB
LEU A
294
−0.087
−6.490
34.905
1.00
40.09
C

ATOM
2147
CG
LEU A
294
−0.595
−6.278
33.490
1.00
40.78
C

ATOM
2148
CD1
LEU A
294
−0.246
−7.378
32.512
1.00
41.23
C

ATOM
2149
CD2
LEU A
294
−2.071
−5.972
33.462
1.00
42.14
C

ATOM
2150
C
LEU A
294
1.014
−5.550
36.915
1.00
41.76
C

ATOM
2151
O
LEU A
294
2.198
−5.178
36.994
1.00
41.41
O

ATOM
2152
N
VAL A
295
0.380
−6.249
37.843
1.00
42.13
N

ATOM
2153
CA
VAL A
295
1.000
−6.984
38.890
1.00
42.23
C

ATOM
2154
CB
VAL A
295
0.398
−6.573
40.210
1.00
41.95
C

ATOM
2155
CG1
VAL A
295
0.703
−7.638
41.259
1.00
41.18
C

ATOM
2156
CG2
VAL A
295
0.902
−5.220
40.616
1.00
40.30
C

ATOM
2157
C
VAL A
295
0.590
−8.446
38.693
1.00
43.30
C

ATOM
2158
O
VAL A
295
−0.617
−8.772
38.626
1.00
41.83
O

ATOM
2159
N
ILE A
296
1.588
−9.327
38.653
1.00
45.30
N

ATOM
2160
CA
ILE A
296
1.339
−10.769
38.388
1.00
47.01
C

ATOM
2161
CB
ILE A
296
1.685
−11.109
36.916
1.00
47.68
C

ATOM
2162
CG1
ILE A
296
0.525
−10.592
36.039
1.00
47.24
C

ATOM
2163
CD1
ILE A
296
1.004
−9.989
34.822
1.00
49.75
C

ATOM
2164
CG2
ILE A
296
1.887
−12.647
36.701
1.00
46.34
C

ATOM
2165
C
ILE A
296
1.955
−11.741
39.377
1.00
47.27
C

ATOM
2166
O
ILE A
296
3.166
−11.888
39.436
1.00
48.42
C

ATOM
2167
N
GLY A
297
1.130
−12.381
40.183
1.00
48.20
N

ATOM
2168
CA
GLY A
297
1.651
−13.292
41.212
1.00
49.82
C

ATOM
2169
C
GLY A
297
1.351
−14.764
40.995
1.00
50.92
C

ATOM
2170
O
GLY A
297
0.695
−15.155
40.020
1.00
51.27
O

ATOM
2171
N
SER A
298
1.804
−15.590
41.391
1.00
52.54
N

ATOM
2172
CA
SER A
298
1.527
−17.035
41.884
1.00
53.17
C

ATOM
2173
CB
SER A
298
2.813
−17.753
41.619
1.00
52.67
C

ATOM
2174
OG
SER A
298
3.833
−17.040
42.274
1.00
51.24
O

ATOM
2175
C
SER A
298
0.872
−17.590
43.154
1.00
54.28
C

ATOM
2176
O
SER A
298
0.408
−18.767
43.172
1.00
56.27
O

TER

ATOM
2177
N
MET B
1
−36.842
6.337
4.770
1.00
75.64
N

ATOM
2178
CA
MET B
1
−36.659
6.309
6.262
1.00
75.04
C

ATOM
2179
CB
MET B
1
−37.961
6.677
6.950
1.00
76.52
C

ATOM
2180
CG
MET B
1
−38.025
8.129
7.316
1.00
79.99
C

ATOM
2181
SD
MET B
1
−38.639
8.229
9.014
1.00
88.81
S

ATOM
2182
CE
MET B
1
37.197
7.632
9.954
1.00
86.49
C

ATOM
2183
C
MET B
1
−36.073
5.007
6.852
1.00
74.83
C

ATOM
2184
O
MET B
1
−36.260
3.917
6.292
1.00
75.02
O

ATOM
2185
N
VAL B
2
−35.377
5.132
7.989
1.00
73.47
N

ATOM
2186
CA
VAL B
2
−34.536
4.047
8.532
1.00
72.05
C

ATOM
2187
CB
VAL B
2
−33.067
4.509
8.752
1.00
72.12
C

ATOM
2188
CG1
VAL B
2
−32.161
3.314
9.003
1.00
72.17
C

ATOM
2189
CG2
VAL B
2
−32.551
5.323
7.568
1.00
72.91
C

ATOM
2190
C
VAL B
2
−35.029
3.516
9.867
1.00
71.00
C

ATOM
2191
O
VAL B
2
−34.995
4.228
10.869
1.00
70.30
O

ATOM
2192
N
LYS B
3
−35.453
2.254
9.874
1.00
70.37
N

ATOM
2193
CA
LYS B
3
−35.959
1.610
11.087
1.00
70.01
C

ATOM
2194
CB
LYS B
3
−36.805
0.364
10.765
1.00
69.98
C

ATOM
2195
CG
LYS B
3
−38.148
0.670
10.092
1.00
71.89
C

ATOM
2196
CD
LYS B
3
−38.471
−0.304
8.927
1.00
73.41
C

ATOM
2197
CE
LYS B
3
−39.869
−0.055
8.386
1.00
74.86
C

ATOM
2108
NZ
LYS B
3
−39.927
−0.208
6.805
1.00
77.33
N

ATOM
2199
C
LYS B
3
−34.768
1.237
1.955
1.00
68.70
C

ATOM
2200
O
LYS B
3
−33.981
0.373
11.568
1.00
68.83
O

ATOM
2201
N
GLN B
4
−34.625
1.917
13.097
1.00
67.11
N

ATOM
2202
CA
GLN B
4
−33.734
1.465
14.161
1.00
65.57
C

ATOM
2203
CB
GLN B
4
−33.839
2.390
15.382
1.00
60.50
C

ATOM
2204
CG
GLN B
4
−33.088
3.743
15.107
1.00
59.07
C

ATOM
2205
CD
GLN B
4
−33.937
5.010
15.369
1.00
54.09
C

ATOM
2206
OE1
GLN B
4
−34.916
4.985
16.183
1.00
51.74
O

ATOM
2207
NE2
GLN B
4
−33.574
6.143
14.683
1.00
52.18
N

ATOM
2208
C
GLN B
4
−34.163
0.040
14.454
1.00
66.34
C

ATOM
2209
O
GLN B
4
−35.245
−0.362
14.023
1.00
66.35
O

ATOM
2210
N
ILE B
5
−33.309
−0.750
15.096
1.00
67.27
N

ATOM
2211
CA
ILE B
5
−33.603
−2.184
15.257
1.00
68.59
C

ATOM
2212
CB
ILE B
5
−33.240
−2.991
13.978
1.00
68.11
C

ATOM
2213
CG1
ILE B
5
−34.417
−2.975
12.994
1.00
66.67
C

ATOM
2214
CD1
ILE B
5
−34.309
−4.032
11.901
1.00
66.76
C

ATOM
2215
CG2
ILE B
5
−32.755
−4.426
14.335
1.00
67.22
C

ATOM
2216
C
ILE B
5
−32.909
−2.765
16.499
1.00
70.10
C

ATOM
2217
O
ILE B
5
−31.721
−2.468
16.710
1.00
71.00
O

ATOM
2218
N
GLU B
6
−33.627
−3.588
17.294
1.00
71.12
N

ATOM
2219
CA
GLU B
6
−33.110
−4.073
18.597
1.00
72.31
C

ATOM
2220
CB
GLU B
6
−33.721
−3.280
19.767
1.00
73.00
C

ATOM
2221
CG
GLU B
6
−33.250
−1.837
19.867
1.00
75.86
C

ATOM
2222
CD
GLU B
6
−34.204
−0.883
19.153
1.00
79.62
C

ATOM
2223
OE1
GLU B
6
−35.445
−1.230
19.099
1.00
80.30
O

ATOM
2224
OE2
GLU B
6
−33.717
0.210
18.659
1.00
81.05
O

ATOM
2225
C
GLU B
6
−33.151
−5.566
18.962
1.00
72.16
C

ATOM
2226
O
GLU B
6
−32.664
−5.932
20.041
1.00
72.14
O

ATOM
2227
N
SER B
7
−33.715
−6.432
18.124
1.00
72.05
N

ATOM
2228
CA
SER B
7
−33.684
−7.873
18.452
1.00
72.30
C

ATOM
2229
CB
SER B
7
−34.987
−8.338
19.161
1.00
72.24
C

ATOM
2230
OG
SER B
7
−35.991
−8.785
18.263
1.00
70.50
O

ATOM
2231
C
SER B
7
−33.402
−8.703
17.216
1.00
72.62
C

ATOM
2232
O
SER B
7
−33.599
−8.206
16.110
1.00
72.67
O

ATOM
2233
N
LYS B
8
−32.939
−9.949
17.378
1.00
73.05
N

ATOM
2234
CA
LYS B
8
−32.902
−10.835
16.215
1.00
73.77
C

ATOM
2235
CB
LYS B
8
−32.116
−12.123
16.464
1.00
73.84
C

ATOM
2236
CG
LYS B
8
−32.020
−13.021
15.209
1.00
74.56
C

ATOM
2237
CD
LYS B
8
−31.465
−14.383
15.533
1.00
76.03
C

ATOM
2238
CE
LYS B
8
−30.047
−14.265
16.073
1.00
77.12
C

ATOM
2239
NZ
LYS B
8
−29.569
−15.559
16.614
1.00
77.80
N

ATOM
2240
C
LYS B
8
34.315
−11.139
15.691
1.00
74.50
C

ATOM
2241
O
LYS B
8
−34.496
−11.274
14.471
1.00
74.80
O

ATOM
2242
N
THR B
9
−35.308
−11.247
16.592
1.00
74.96
N

ATOM
2243
CA
THR B
9
−36.704
−11.459
16.143
1.00
75.25
C

ATOM
2244
CB
THR B
9
−37.705
−12.048
17.233
1.00
74.89
C

ATOM
2245
OG1
THR B
9
−37.654
−11.297
18.454
1.00
74 19
O

ATOM
2246
CG2
THR B
9
−37.395
−13.498
17.525
1.00
73 89
C

ATOM
2247
C
THR B
9
−37.268
−10.209
15.436
1.00
75.87
C

ATOM
2248
O
THR B
9
−38.019
−10.337
14.446
1.00
75.83
O

ATOM
2249
N
ALA B
10
−36.888
−9.018
15.927
1.00
76.19
N

ATOM
2250
CA
ALA B
10
−37.198
−7.755
15.226
1.00
76.61
C

ATOM
2251
CB
ALA B
10
−36.817
−6.518
16.076
1.00
76.28
C

ATOM
2252
C
ALA B
10
−36.543
−7.726
13.822
1.00
76.90
C

ATOM
2253
O
ALA B
10
−37.153
−7.260
12.833
1.00
77.00
O

ATOM
2254
N
PHE B
11
−35.332
−8.279
13.740
1.00
77.04
N

ATOM
2255
CA
PHE B
11
−34.617
−8.455
12.469
1.00
77.34
C

ATOM
2256
CB
PHE B
11
−33.205
−8.967
12.718
1.00
77.47
C

ATOM
2257
CG
PHE B
11
−32.281
−8.769
11.561
1.00
76.96
C

ATOM
2258
CD1
PHE B
11
−32.109
−7.505
11.000
1.00
76.03
C

ATOM
2259
CE1
PHE B
11
−31.233
−7.317
9.932
1.00
75.84
C

ATOM
2260
CZ
PHE B
11
−30.518
−8.402
9.408
1.00
74.73
C

ATOM
2261
CE2
PHE B
11
−30.683
−9.668
9.966
1.00
75.58
C

ATOM
2262
CD2
PHE B
11
−31.562
−9.485
11.040
1.00
76.84
C

ATOM
2263
C
PHE B
11
−35.307
−9.402
11.513
1.00
77.49
C

ATOM
2264
O
PHE B
11
−35.538
−9.039
10.364
1.00
77.26
O

ATOM
2265
N
GLN B
12
−35.616
−10.612
11.990
1.00
78.31
N

ATOM
2266
CA
GLN B
12
−36.420
−11.581
11.218
1.00
79.00
C

ATOM
2267
CB
GLN B
12
−36.862
−12.798
12.053
1.00
78.80
C

ATOM
2268
CG
GLN B
12
−35.762
−13.833
12.416
1.00
79.31
C

ATOM
2269
CD
GLN B
12
−34.857
−14.317
11.248
1.00
79.34
C

ATOM
2270
OE1
GLN B
12
−35.208
−14.241
10.063
1.00
77.15
O

ATOM
2271
NE2
GLN B
12
−33.676
−14.830
11.612
1.00
79.83
N

ATOM
2272
C
GLN B
12
−37.625
−10.898
10.579
1.00
79.25
C

ATOM
2273
O
GLN B
12
−37.847
−11.040
9.370
1.00
78.96
O

ATOM
2274
N
GLU B
13
−38.366
−10.135
11.389
1.00
79.96
N

ATOM
2275
CA
GLU B
13
−39.495
−9.350
10.898
1.00
80.91
C

ATOM
2276
CB
GLU B
13
−39.950
−8.282
11.883
1.00
81.24
C

ATOM
2277
CG
GLU B
13
−41.255
−8.594
12.571
1.00
81.20
C

ATOM
2278
CD
GLU B
13
−41.037
−8.978
14.022
1.00
82.02
C

ATOM
2279
OE1
GLU B
13
−40.250
−8.292
14.726
1.00
83.46
O

ATOM
2280
OE2
GLU B
13
−41.656
−9.960
14.475
1.00
82.29
O

ATOM
2281
C
GLU B
13
−39.202
−8.651
9.387
1.00
81.42
C

ATOM
2282
O
GLU B
13
−39.853
−8.973
8.593
1.00
82.01
O

ATOM
2283
N
ALA B
14
−38.251
−7.723
9.569
1.00
81.46
N

ATOM
2284
CA
ALA B
14
−38.038
−6.936
8.338
1.00
81.89
C

ATOM
2285
CB
ALA B
14
−36.962
−5.886
8.540
1.00
82.04
C

ATOM
2286
C
ALA B
14
−37.757
−7.796
7.083
1.00
81.92
C

ATOM
2287
O
ALA B
14
−38.258
−7.506
5.974
1.00
81.42
O

ATOM
2288
N
LEU B
15
−36.980
−8.861
7.292
1.00
82.20
N

ATOM
2289
CA
LEU B
15
−36.656
−9.859
6.267
1.00
82.65
C

ATOM
2290
CB
LEU B
15
−35.852
−10.998
6.905
1.00
82.86
C

ATOM
2291
CG
LEU B
15
−34.544
−10.508
7.556
1.00
82.98
C

ATOM
2292
CD1
LEU B
15
−34.107
−11.372
8.749
1.00
82.62
C

ATOM
2293
CD2
LEU B
15
−33.392
−10.320
6.541
1.00
82.67
C

ATOM
2294
C
LEU B
15
−37.923
−10.377
5.603
1.00
82.76
C

ATOM
2295
O
LEU B
15
−37.920
−10.770
4.431
1.00
82.58
O

ATOM
2296
N
ASP B
16
−39.005
−10.346
6.379
1.00
82.98
N

ATOM
2297
CA
ASP B
16
−40.365
−10.550
5.885
1.00
83.08
C

ATOM
2298
CB
ASP B
16
−41.245
−11.147
6.992
1.00
83.31
C

ATOM
2299
CG
ASP B
16
−40.544
−12.285
7.736
1.00
84.25
C

ATOM
2300
OD1
ASP B
16
−39.286
−12.731
7.646
1.00
84.25
O

ATOM
2301
OD2
ASP B
16
−41.253
−13.091
8.396
1.00
85.05
O

ATOM
2302
C
ASP B
16
−40.976
−9.246
5.363
1.00
82.84
C

ATOM
2303
O
ASP B
16
−41.431
−9.201
4.219
1.00
82.58
O

ATOM
2304
N
ALA B
17
−40.967
−8.202
6.207
1.00
82.89
N

ATOM
2305
CA
ALA B
17
−41.568
−6.874
5.922
1.00
82.72
C

ATOM
2306
CB
ALA B
17
−41.005
−5.789
6.880
1.00
82.85
C

ATOM
2307
C
ALA B
17
−41.409
−6.445
4.465
1.00
82.51
C

ATOM
2308
O
ALA B
17
−42.406
−6.260
3.762
1.00
82.44
O

ATOM
2309
N
ALA B
18
−40.154
−6.294.
4.028
1.00
82.32
N

ATOM
2310
CA
ALA B
18
−39.821
−6.099
2.608
1.00
81.71
C

ATOM
2311
CB
ALA B
18
−38.328
−5.779
2.443
1.00
81.72
C

ATOM
2312
C
ALA B
18
−40.165
−7.334
1.787
1.00
81.07
C

ATOM
2313
O
ALA B
18
−39.877
−8.485
2.167
1.00
81.21
O

ATOM
2314
N
GLY B
19
−40.850
−7.124
0.664
1.00
80.21
N

ATOM
2315
CA
GLY B
19
−41.193
−8.230
−0.214
1.00
78.83
C

ATOM
2316
C
GLY B
19
−39.953
−8.593
−1.004
1.00
77.59
C

ATOM
2317
O
GLY B
19
−38.878
−8.792
−0.441
1.00
76.84
O

ATOM
2318
N
ASP B
20
−40.120
−8.666
−2.320
1.00
76.73
N

ATOM
2319
CA
ASP B
20
−39.006
−8.827
−3.233
1.00
75.99
C

ATOM
2320
CB
ASP B
20
−39.515
−8.936
−4.675
1.00
76.18
C

ATOM
2321
CG
ASP B
20
−39.942
−10.352
−5.049
1.00
76.57
C

ATOM
2322
OD1
ASP B
20
−41.062
−10.486
−5.593
1.00
76.28
O

ATOM
2323
OD2
ASP B
20
−39.165
−11.320
−4.827
1.00
76.33
O

ATOM
2324
C
ASP B
20
−37.992
−7.667
−3.125
1.00
75.32
C

ATOM
2325
O
ASP B
20
−36.908
−7.739
−3.740
1.00
75.30
O

ATOM
2326
N
LYS B
21
−38.328
−6.622
−2.349
1.00
73.78
N

ATOM
2327
CA
LYS B
21
−37.454
−5.438
−2.230
1.00
72.44
C

ATOM
2328
CB
LYS B
21
−38.231
−4.174
−1.772
1.00
72.47
C

ATOM
2329
CG
LYS B
21
−39.541
−4.404
−0.995
1.00
72.15
C

ATOM
2330
CD
LYS B
21
−40.266
−2.979
−0.728
1.00
73.22
C

ATOM
2331
CE
LYS B
21
−41.765
−3.390
0.034
1.00
74.40
C

ATOM
2332
NZ
LYS B
21
42.144
2.153
1.016
1.00
74.19
N

ATOM
2333
C
LYS B
21
−36.074
−5.641
−1.488
1.00
71.44
C

ATOM
2334
O
LYS B
21
−35.994
−6.220
−0.392
1.00
71.08
O

ATOM
2335
N
LEU B
22
−34.998
−5.183
−2.143
1.00
70.08
N

ATOM
2336
CA
LEU B
22
−33.651
5.204
1.598
1.00
68.37
C

ATOM
2337
CB
LEU B
22
−32.604
−4.667
−2.590
1.00
68.13
C

ATOM
2338
CG
LEU B
22
−31.218
−4.091
−2.188
1.00
65.64
C

ATOM
2339
CD1
LEU B
22
−30.061
−4.705
−2.969
1.00
64.37
C

ATOM
2340
CD2
LEU B
22
−31.168
−2.589
−2.354
1.00
63.48
C

ATOM
2341
C
LEU B
22
−33.660
−4.401
−0.338
1.00
68.20
C

ATOM
2342
O
LEU B
22
−34.374
−3.397
−0.184
1.00
67.95
O

ATOM
2343
N
VAL B
23
−32.873
−4.692
0.592
1.00
68.04
N

ATOM
2344
CA
VAL B
23
−32.826
−4.293
1.913
1.00
67.56
C

ATOM
2345
CB
VAL B
23
−33.774
−5.071
2.929
1.00
67.46
C

ATOM
2346
CG1
VAL B
23
−33.534
−6.570
2.862
1.00
67.77
C

ATOM
2347
CG2
VAL B
23
−33.634
−4.572
4.320
1.00
67.17
C

ATOM
2348
C
VAL B
23
−31.340
−4.129
2.297
1.00
66.19
C

ATOM
2349
O
VAL B
23
−30.533
−5.043
2.141
1.00
65.57
O

ATOM
2350
N
VAL B
24
−31.002
−2.907
2.689
1.00
64.87
N

ATOM
2351
CA
VAL B
24
−29.658
−2.516
3.027
1.00
63.27
C

ATOM
2352
CB
VAL B
24
−29.306
−1.176
2.328
1.00
62.93
C

ATOM
2353
CG1
VAL B
24
−30.238
−0.096
2.768
1.00
61.63
C

ATOM
2354
CG2
VAL B
24
−27.823
−0.760
2.547
1.00
63.02
C

ATOM
2355
C
VAL B
24
−29.633
−2.411
4.545
1.00
62.70
C

ATOM
2356
O
VAL B
24
−30.602
−2.008
5.183
1.00
63.13
O

ATOM
2357
N
VAL B
25
−28.544
−2.841
5.139
1.00
61.97
N

ATOM
2358
CA
VAL B
25
−28.430
−2.763
6.579
1.00
61.49
C

ATOM
2359
CB
VAL B
25
−28.444
−4.156
7.222
1.00
61.37
C

ATOM
2360
CG1
VAL B
25
−28.436
−4.050
8.573
1.00
59.05
C

ATOM
2361
CG2
VAL B
25
−29.633
−4.964
6.702
1.00
60.63
C

ATOM
2362
C
VAL B
25
−27.119
−2.109
6.924
1.00
61.42
C

ATOM
2363
O
VAL B
25
−26.053
−2.542
6.482
1.00
62.12
O

ATOM
2364
N
ASP B
26
−27.216
−1.058
7.700
1.00
60.57
N

ATOM
2365
CA
ASP B
26
−26.077
−0.443
8.294
1.00
60.33
C

ATOM
2366
CB
ASP B
26
−26.377
1.065
8.385
1.00
60.25
C

ATOM
2367
CG
ASP B
26
−25.223
1.882
8.934
1.00
61.47
C

ATOM
2368
OD1
ASP B
26
−24.403
1.342
9.720
1.00
61.10
O

ATOM
2369
OD2
ASP B
26
−25.155
3.088
8.592
1.00
63.03
O

ATOM
2370
C
ASP B
26
−25.863
−1.104
9.697
1.00
60.34
C

ATOM
2371
O
ASP B
26
−26.680
−0.923
10.631
1.00
60.06
O

ATOM
2372
N
PHE B
27
−24.788
−1.883
9.837
1.00
59.27
N

ATOM
2373
CA
PHE B
27
−24.309
−2.263
11.150
1.00
58.41
C

ATOM
2374
CB
PHE B
27
−23.561
−3.565
11.101
1.00
59.17
C

ATOM
2375
CG
PHE B
27
−24.420
−4.722
10.699
1.00
60.54
C

ATOM
2376
CD1
PHE B
27
−25.017
−5.535
11.671
1.00
59.16
C

ATOM
2377
CE1
PHE B
27
−25.787
−8.613
11.314
1.00
57.84
C

ATOM
2378
CZ
PHE B
27
−26.013
−6.878
9.986
1.00
59.48
C

ATOM
2379
CE2
PHE B
27
−25.439
−6.060
8.989
1.00
60.31
C

ATOM
2380
CD2
PHE B
27
−24.653
−4.990
9.348
1.00
59.46
C

ATOM
2381
C
PHE B
27
−23.380
−1.212
11.579
1.00
58.00
C

ATOM
2382
O
PHE B
27
−22.249
−1.140
11.138
1.00
58.10
O

ATOM
2383
N
SER B
28
−23.895
−0.390
12.458
1.00
58.15
N

ATOM
2384
CA
SER B
28
−23.291
0.831
12.874
1.00
58.08
C

ATOM
2385
CB
SER B
28
−24.446
1.812
12.871
1.00
58.17
C

ATOM
2386
OG
SER B
28
−24.078
3.081
13.361
1.00
62.55
O

ATOM
2387
C
SER B
28
−22.722
0.709
14.300
1.00
57.91
C

ATOM
2388
O
SER B
28
−22.823
−0.342
14.962
1.00
57.23
O

ATOM
2389
N
ALA B
29
−22.156
1.811
14.789
1.00
57.80
N

ATOM
2390
CA
ALA B
29
−21.822
1.949
16.216
1.00
57.23
C

ATOM
2391
CB
ALA B
29
−20.570
1.105
16.589
1.00
57.17
C

ATOM
2392
C
ALA B
29
−21.636
3.406
16.663
1.00
56.77
C

ATOM
2393
O
ALA B
29
−20.955
4.197
16.022
1.00
57.45
O

ATOM
2394
N
THR B
30
22.272
3.706
17.774
1.00
55.83
N

ATOM
2395
CA
THR B
30
−22.214
4.929
18.546
1.00
55.48
C

ATOM
2396
CB
THR B
30
−22.559
4.482
20.003
1.00
56.74
C

ATOM
2397
OG1
THR B
30
−23.962
4.219
20.053
1.00
54.50
O

ATOM
2398
CG2
THR B
30
−21.990
5.429
21.209
1.00
54.17
C

ATOM
2399
C
THR B
30
−20.921
5.732
18.590
1.00
55.16
C

ATOM
2400
O
THR B
30
−20.940
6.967
18.413
1.00
54.72
O

ATOM
2401
N
TRP B
31
−19.832
5.028
18.915
1.00
53.87
N

ATOM
2402
CA
TRP B
31
−18.532
5.638
19.253
1.00
52.72
C

ATOM
2403
CB
TRP B
31
−17.854
4.841
20.394
1.00
52.16
C

ATOM
2404
CG
TRP B
31
−17.861
3.320
20.135
1.00
52.12
C

ATOM
2405
CD1
TRP B
31
−18.817
2.424
20.580
1.00
51.80
C

ATOM
2406
NE1
TRP B
31
−18.543
1.151
20.118
1.00
51.17
N

ATOM
2407
CE2
TRP B
31
−17.436
1.210
19.303
1.00
54.36
C

ATOM
2408
CD2
TRP B
31
−16.997
2.570
19.276
1.00
49.88
C

ATOM
2409
CE3
TRP B
31
−15.880
2.899
18.513
1.00
45.43
C

ATOM
2410
CZ3
TRP B
31
−15.210
1.896
17.831
1.00
50.13
C

ATOM
2411
CH2
TRP B
31
−15.651
0.545
17.852
1.00
49.94
C

ATOM
2412
CZ2
TRP B
31
−16.758
0.176
18.584
1.00
53.05
C

ATOM
2413
C
TRP B
31
−17.635
5.723
18.013
1.00
52.28
C

ATOM
2414
O
TRP B
31
−16.547
6.260
18.082
1.00
50.83
O

ATOM
2415
N
CYS B
32
−18.124
5.193
16.891
1.00
53.19
N

ATOM
2416
CA
CYS B
32
−17.386
5.118
15.654
1.00
54.95
C

ATOM
2417
CB
CYS B
32
−17.862
3.907
14.880
1.00
55.50
C

ATOM
2418
SG
CYS B
32
−17.001
3.580
13.268
1.00
59.30
S

ATOM
2419
C
CYS B
32
−17.506
6.384
14.784
1.00
56.07
C

ATOM
2420
O
CYS B
32
−18.544
6.655
14.188
1.00
56.72
O

ATOM
2421
N
GLY B
33
−16.413
7.137
14.690
1.00
57.13
N

ATOM
2422
CA
GLY B
33
−16.335
8.340
13.860
1.00
57.80
C

ATOM
2423
C
GLY B
33
−16.904
8.099
12.483
1.00
58.64
C

ATOM
2424
O
GLY B
33
−17.879
8.756
12.119
1.00
59.79
O

ATOM
2425
N
PRO B
34
−16.327
7.133
11.726
1.00
58.05
N

ATOM
2426
CA
PRO B
34
−16.801
6.893
10.365
1.00
57.72
C

ATOM
2427
CB
PRO B
34
−15.830
5.816
9.804
1.00
57.59
C

ATOM
2428
CG
PRO B
34
−14.658
5.844
10.750
1.00
57.32
C

ATOM
2429
CD
PRO B
34
−15.189
6.264
12.074
1.00
57.45
C

ATOM
2430
C
PRO B
34
−18.429
6.440
10.253
1.00
57.20
C

ATOM
2431
O
PRO B
34
−18.845
6.658
9.208
1.00
58.06
O

ATOM
2432
N
ALA B
35
−18.830
5.819
11.269
1.00
56.09
N

ATOM
2433
CA
ALA B
35
−20.198
5.373
11.075
1.00
55.20
C

ATOM
2434
CB
ALA B
35
−20.511
4.200
11.900
1.00
55.33
C

ATOM
2435
C
ALA B
35
−21.125
6.514
11.397
1.00
55.29
C

ATOM
2436
O
ALA B
35
−22.213
6.604
10.841
1.00
55.71
O

ATOM
2437
N
LYS B
36
−20.684
7.376
12.304
1.00
54.99
N

ATOM
2438
CA
LYS B
36
−21.390
8.593
12.617
1.00
55.29
C

ATOM
2439
CB
LYS B
36
−20.760
9.298
13.820
1.00
55.47
C

ATOM
2440
CG
LYS B
36
−21.262
8.746
15.141
1.00
57.18
C

ATOM
2441
CD
LYS B
36
−29.754
9.525
16.354
1.00
60.60
C

ATOM
2442
CE
LYS B
36
−19.301
9.154
16.715
1.00
59.91
C

ATOM
2443
NZ
LYS B
36
−18.990
9.623
18.087
1.00
61.48
N

ATOM
2444
C
LYS B
36
−21.418
9.531
11.432
1.00
55.61
C

ATOM
2445
O
LYS B
36
−22.446
10.130
11.140
1.00
55.21
O

ATOM
2446
N
MET B
37
−20.292
9.673
10.749
1.00
56.30
N

ATOM
2447
CA
MET B
37
−20.273
10.476
9.551
1.00
58.06
C

ATOM
2448
CB
MET B
37
−18.838
10.641
9.055
1.00
58.17
C

ATOM
2449
CG
MET B
37
−18.669
11.258
7.662
1.00
60.88
C

ATOM
2450
SD
MET B
37
−18.840
10.183
6.149
1.00
70.27
S

ATOM
2451
CE
MET B
37
−17.180
9.476
5.998
1.00
61.48
C

ATOM
2452
O
MET B
37
−21.237
9.950
8.442
1.00
58.60
O

ATOM
2453
O
MET B
37
−21.752
10.723
7.662
1.00
59.98
O

ATOM
2454
N
ILE B
38
−21.509
8.658
8.379
1.00
58.64
N

ATOM
2455
CA
ILE B
38
−22.183
8.126
7.221
1.00
58.31
C

ATOM
2456
CB
ILE B
38
−21.586
6.767
6.832
1.00
58.06
C

ATOM
2457
CG1
ILE B
38
−22.024
6.350
5.431
1.00
57.53
C

ATOM
2458
CD1
ILE B
38
−21.112
6.726
4.325
1.00
56.36
C

ATOM
2459
CG2
ILE B
38
−22.030
5.704
7.814
1.00
57.35
C

ATOM
2460
C
ILE B
38
−23.692
8.021
7.474
1.00
59.53
C

ATOM
2461
O
ILE B
38
−24.495
8.070
6.505
1.00
59.20
O

ATOM
2462
N
LYS B
39
−24.076
7.861
8.759
1.00
59.89
N

ATOM
2463
CA
LYS B
39
−25.505
7.927
9.205
1.00
59.95
C

ATOM
2464
CB
LYS B
39
−25.659
8.220
10.701
1.00
59.99
C

ATOM
2465
CG
LYS B
39
−25.798
6.995
11.603
1.00
63.49
C

ATOM
2466
CD
LYS B
39
−26.731
7.237
12.848
1.00
67.72
C

ATOM
2467
CE
LYS B
39
−26.896
8.757
13.268
1.00
70.40
C

ATOM
2468
NZ
LYS B
39
−25.670
9.547
13.683
1.00
68.95
N

ATOM
2469
C
LYS B
39
−26.326
8.966
8.464
1.00
59.49
C

ATOM
2470
O
LYS B
39
−27.318
8.615
7.831
1.00
60.53
O

ATOM
2471
N
PRO B
40
−25.935
10.257
8.525
1.00
58.90
N

ATOM
2472
CA
PRO B
40
−26.607
11.154
7.721
1.00
58.30
C

ATOM
2473
CB
PRO B
40
−26.105
12.521
7.786
1.00
57.95
C

ATOM
2474
CG
PRO B
40
−25.115
12.402
8.929
1.00
58.70
C

ATOM
2475
CD
PRO B
40
−24.834
10.963
9.212
1.00
57.83
C

ATOM
2476
C
PRO B
40
−27.001
10.685
6.261
1.00
57.88
C

ATOM
2477
O
PRO B
40
−28.141
10.645
5.787
1.00
57.01
O

ATOM
2478
N
PHE B
41
−25.914
10.308
5.570
1.00
57.26
N

ATOM
2479
CA
PHE B
41
−26.026
9.990
4.142
1.00
57.05
C

ATOM
2480
CB
PHE B
41
−24.663
9.896
3.448
1.00
57.73
C

ATOM
2481
CG
PHE B
41
−28.827
11.142
3.609
1.00
60.03
C

ATOM
2482
CD1
PHE B
41
−22.791
11.188
4.558
1.00
61.03
C

ATOM
2483
CE1
PHE B
41
−22.054
12.367
4.743
1.00
62.83
C

ATOM
2484
CZ
PHE B
41
−22.351
13.520
3.956
1.00
61.31
C

ATOM
2485
CE2
PHE B
41
−23.374
13.465
3.013
1.00
58.51
C

ATOM
2486
CD2
PHE B
41
−24.112
12.292
2.854
1.00
59.45
C

ATOM
2487
C
PHE B
41
−26.850
8.738
3.963
1.00
56.78
C

ATOM
2488
O
PHE B
41
−27.591
8.595
2.970
1.00
57.39
O

ATOM
2489
N
PHE B
42
−26.758
7.849
4.940
1.00
55.65
N

ATOM
2490
CA
PHE B
42
−27.584
6.697
4.954
1.00
55.20
C

ATOM
2491
CB
PHE B
42
−27.159
5.761
6.081
1.00
55.17
C

ATOM
2492
CG
PHE B
42
−27.799
4.401
6.007
1.00
53.94
C

ATOM
2493
CD1
PHE B
42
−27.535
3.550
4.950
1.00
53.17
C

ATOM
2494
CE1
PHE B
42
−28.128
2.300
4.868
1.00
54.20
C

ATOM
2495
CZ
PHE B
42
−29.003
1.879
5.851
1.00
56.42
C

ATOM
2496
CE2
PHE B
42
−29.726
2.719
6.927
1.00
56.71
C

ATOM
2497
CD2
PHE B
42
−28.683
3.988
6.981
1.00
55.03
C

ATOM
2498
C
PHE B
42
−29.055
7.088
5.069
1.00
56.48
C

ATOM
2499
O
PHE B
42
−29.924
6.456
4.421
1.00
56.01
O

ATOM
2500
N
HIS B
43
−29.345
8.138
5.852
1.00
57.71
N

ATOM
2501
CA
HIS B
43
−30.751
8.619
6.039
1.00
58.68
C

ATOM
2502
CB
HIS B
43
−30.919
9.596
7.236
1.00
59.30
C

ATOM
2503
CG
HIS B
43
−32.361
9.841
7.641
1.00
62.89
C

ATOM
2504
ND1
HIS B
43
−33.196
10.728
6.976
1.00
64.76
N

ATOM
2505
CE1
HIS B
43
−34.395
10.712
7.535
1.00
64.75
C

ATOM
2506
NE2
HIS B
43
−34.367
9.868
8.555
1.00
65.51
N

ATOM
2507
CD2
HIS B
43
−33.110
9.311
8.467
1.00
63.96
C

ATOM
2508
C
HIS B
43
−31.366
9.207
4.752
1.00
58.34
C

ATOM
2509
O
HIS B
43
−32.470
8.809
4.369
1.00
58.62
O

ATOM
2510
N
SER B
44
−30.676
10.144
4.099
1.00
57.79
N

ATOM
2511
CA
SER B
44
−31.204
10.737
2.877
1.00
57.96
C

ATOM
2512
CB
SER B
44
−30.274
11.807
2.346
1.00
57.32
C

ATOM
2513
OG
SER B
44
29.452
12.290
3.368
1.00
57.20
O

ATOM
2514
C
SER B
44
−31.454
9.659
1.797
1.00
58.68
C

ATOM
2515
O
SER B
44
−32.538
9.590
1.224
1.00
57.96
O

ATOM
2516
N
LEU B
45
−30.465
8.796
1.548
1.00
59.43
N

ATOM
2517
CA
LEU B
45
−30.669
7.704
0.598
1.00
59.73
C

ATOM
2518
CB
LEU B
45
−29.470
8.737
0.537
1.00
59.77
C

ATOM
2519
CG
LEU B
45
−28.119
7.271
−0.016
1.00
60.96
C

ATOM
2520
CD1
LEU B
45
−26.876
6.335
0.130
1.00
60.30
C

ATOM
2521
CD2
LEU B
45
−28.238
7.731
−1.464
1.00
61.37
C

ATOM
2522
C
LEU B
45
−31.953
6.950
0.899
1.00
50.04
C

ATOM
2523
O
LEU B
45
−32.579
5.466
−0.027
1.00
60.97
O

ATOM
2524
N
SER B
46
−32.367
6.851
2.167
1.00
59.82
N

ATOM
2525
CA
SER B
46
−33.639
6.191
2.473
1.00
59.56
C

ATOM
2526
CB
SER B
46
−33.744
5.809
3.947
1.00
59.49
C

ATOM
2527
OG
SER B
46
−33.978
6.938
4.790
1.00
58.64
O

ATOM
2528
C
SER B
46
−34.846
7.015
2.020
1.00
59.99
C

ATOM
2529
O
SER B
46
−35.901
6.459
1.711
1.00
59.43
O

ATOM
2530
N
GLU B
47
−34.680
8.336
1.991
1.00
60.78
N

ATOM
2531
CA
GLU B
47
−35.706
9.231
1.429
1.00
62.09
C

ATOM
2532
CB
GLU B
47
−35.494
10.727
1.786
1.00
62.27
C

ATOM
2533
CB
GLU B
47
−35.195
11.052
3.266
1.00
54.92
C

ATOM
2534
CD
GLU B
47
−36.432
11.068
4.206
1.00
70.48
C

ATOM
2535
OE1
GLU B
47
−36.708
12.169
4.776
1.00
73.77
O

ATOM
2536
OE2
GLU B
47
−37.105
10.010
4.406
1.00
69.27
O

ATOM
2537
C
GLU B
47
−35.773
9.012
−0.086
1.00
62.11
C

ATOM
2538
O
GLU B
47
−36.836
8.700
−0.601
1.00
62.69
O

ATOM
2539
N
LYS B
48
−34.652
9.134
−0.797
1.00
62.19
N

ATOM
2540
CA
LYS B
48
−34.618
8.758
−2.230
1.00
62.33
C

ATOM
2541
CB
LYS B
48
−33.221
8.888
−2.819
1.00
61.78
C

ATOM
2542
CG
LYSB
48
−33.025
10.026
−3.796
1.00
60.77
C

ATOM
2543
CD
LYS B
48
−32.010
9.564
−4.889
1.00
60.21
C

ATOM
2544
CE
LYS B
48
31.772
10.597
−5.991
1.00
57.15
C

ATOM
2545
NZ
LYS B
48
−32.767
10.496
−7.104
1.00
56.87
N

ATOM
2546
C
LYS B
48
−35.179
7.362
−2.564
1.00
63.02
C

ATOM
2547
O
LYS B
48
−36.132
7.256
−3.327
1.00
62.87
O

ATOM
2548
N
TYR B
49
−34.607
6.301
−1.987
1.00
64.15
N

ATOM
2549
CA
TYR B
49
−34.877
4.295
−2.456
1.00
65.01
C

ATOM
2550
CB
TYR B
49
−33.571
4.109
−2.566
1.00
65.12
C

ATOM
2251
CG
TYR B
49
−32.556
4.728
−3.523
1.00
67.05
C

ATOM
2252
CD1
TYR B
49
−32.650
4.532
−4.915
1.00
67.78
C

ATOM
2253
CE1
TYR B
49
−31.734
5.104
−5.804
1.00
67.51
C

ATOM
2554
CZ
TYR B
49
−30.704
5.903
−5.314
1.00
71.70
C

ATOM
2555
OH
TYR B
49
−29.779
6.481
−6.180
1.00
72.28
O

ATOM
2356
CE2
TYR B
49
−30.582
6.123
−3.930
1.00
71.37
C

ATOM
2557
CD2
TYR B
49
−31.512
5.521
−3.044
1.00
70.31
C

ATOM
2558
C
TYR B
49
−35.962
4.199
1.670
1.00
65.09
C

ATOM
2259
O
TYR B
49
−35.717
3.209
−0.997
1.00
65.42
O

ATOM
2260
N
SER B
50
−37.181
4.694
−1.766
1.00
65.47
N

ATOM
2261
CA
SER B
50
−38.263
4.139
−0.956
1.00
66.58
C

ATOM
2262
CB
SER B
50
−39.321
5.200
−0.701
1.00
66.45
C

ATOM
2263
OG
SER B
50
−39.237
6.171
−1.732
1.00
68.05
O

ATOM
2264
C
SER B
50
−38.845
2.878
−1.584
1.00
66.74
C

ATOM
2265
O
SER B
50
−39.784
2.263
−1.061
1.00
66.29
O

ATOM
2266
N
ASN B
51
−38.249
2.489
−2.696
1.00
67.11
N

ATOM
2267
CA
ASN B
51
−38.489
1.186
−3.257
1.00
68.25
C

ATOM
2268
CB
ASN B
51
−38.230
1.212
−4.771
1.00
69.32
C

ATOM
2269
CG
ASN B
51
−36.854
1.831
−5.159
1.00
71.87
C

ATOM
2270
OD1
ASN B
51
−36.435
2.900
−4.647
1.00
72.68
O

ATOM
2271
ND2
ASN B
51
−36.166
1.160
−6.112
1.00
72.93
N

ATOM
2272
C
ASN B
51
−37.623
0.153
−2.557
1.00
67.90
C

ATOM
2273
O
ASN B
51
−37.733
−1.050
−2.807
1.00
67.58
O

ATOM
2274
N
VAL B
52
−36.776
0.665
−1.660
1.00
68.24
N

ATOM
2275
CA
VAL B
52
−35.756
−0.095
−0.904
1.00
67.91
C

ATOM
2276
CB
VAL B
52
−34.338
0.419
−1.225
1.00
67.71
C

ATOM
2277
CG1
VAL B
52
−33.293
−0.507
−0.664
1.00
66.91
C

ATOM
2278
CG2
VAL B
52
−34.163
0.623
−2.732
1.00
67.98
C

ATOM
2279
C
VAL B
52
−35.956
0.087
0.602
1.00
68.03
C

ATOM
2280
O
VAL B
52
−36.334
1.185
1.078
1.00
67.42
O

ATOM
2281
N
ILE B
53
−35.682
−0.966
1.341
1.00
68.43
N

ATOM
2282
CA
ILE B
53
−35.809
−0.975
2.803
1.00
69.01
C

ATOM
2283
CB
ILE B
53
−36.425
−2.282
3.375
1.00
68.93
C

ATOM
2284
CG1
ILE B
53
−37.854
−2.495
2.838
1.00
69.28
C

ATOM
2285
CD1
ILE B
53
−38.729
−1.211
2.711
1.00
69.22
C

ATOM
2286
CG2
ILE B
53
−36.375
−2.266
4.898
1.00
67.78
C

ATOM
2287
C
ILE B
53
−34.469
−0.785
3.447
1.00
69.33
C

ATOM
2288
O
ILE B
53
−33.647
−1.567
3.199
1.00
69.13
O

ATOM
2289
N
PHE B
54
−34.370
0.258
4.268
1.00
69.77
N

ATOM
2290
CA
PHE B
54
−33.156
0.510
5.039
1.00
70.15
C

ATOM
2291
CB
PHE B
54
−32.781
1.984
5.007
1.00
70.60
C

ATOM
2292
CG
PHE B
54
−32.589
2.525
3.645
1.00
71.93
C

ATOM
2293
CD1
PHE B
54
−33.639
2.526
2.731
1.00
73.48
C

ATOM
2294
CE1
PHE B
54
−33.469
3.049
1.446
1.00
74.58
C

ATOM
2295
CZ
PHE B
54
−32.232
3.592
1.077
1.00
74.75
C

ATOM
2596
CE2
PHE B
54
−31.165
3.607
1.997
1.00
73.84
C

ATOM
2597
CD2
PHE B
54
−31.357
3.074
3.278
1.00
73.14
C

ATOM
2598
C
PHE B
54
−33.374
0.127
6.479
1.00
69.59
C

ATOM
2599
O
PHE B
54
−34.457
0.329
7.031
1.00
69.83
O

ATOM
2600
N
LEU B
55
−32.323
−0.395
7.089
1.00
68.97
N

ATOM
2601
CA
LEU B
55
−32.340
−0.711
8.500
1.00
68.41
C

ATOM
2602
CB
LEU B
55
−32.665
−2.193
8.690
1.00
68.29
C

ATOM
2603
CG
LEU B
55
−33.850
−2.846
7.960
1.00
67.42
C

ATOM
2604
CD1
LEU B
55
−33.675
−4.384
7.959
1.00
65.18
C

ATOM
2605
CD2
LEU B
55
−35.215
−2.431
8.552
1.00
66.06
C

ATOM
2606
C
LEU B
55
−30.976
−0.375
9.131
1.00
68.19
C

ATOM
2607
O
LEU B
55
−29.946
−0.645
8.427
1.00
68.50
O

ATOM
2608
N
GLU B
56
31.001
−0.102
10.441
1.00
67.22
N

ATOM
2609
CA
GLU B
56
−29.821
0.066
11.272
1.00
66.56
C

ATOM
2610
CB
GLU B
56
−29.856
1.404
12.005
1.00
87.03
C

ATOM
2611
CG
GLU B
56
−28.481
1.803
12.634
1.00
68.20
C

ATOM
2612
CD
GLU B
56
−28.281
3.314
12.612
1.00
71.39
C

ATOM
2613
OE1
GLU B
56
−29.332
3.985
12.510
1.00
76.48
O

ATOM
2614
OE2
GLU B
56
−27.130
3.837
12.671
1.00
69.97
O

ATOM
2615
C
GLU B
56
−29.763
−1.018
12.321
1.00
65.94
C

ATOM
2616
O
GLU B
56
−30.781
−1.412
12.850
1.00
66.33
O

ATOM
2617
N
VAL B
57
−28.557
−1.487
12.617
1.00
62.25
N

ATOM
2618
CA
VAL B
57
−28.265
−2.325
13.776
1.00
63.79
C

ATOM
2619
CB
VAL B
57
−27.964
−3.768
13.373
1.00
63.05
C

ATOM
2620
CG1
VAL B
57
−27.641
−4.605
14.636
1.00
63.31
C

ATOM
2621
CG2
VAL B
57
−29.116
−4.364
12.542
1.00
63.01
C

ATOM
2622
C
VAL B
57
−27.015
−1.813
14.493
1.00
63.43
C

ATOM
2623
O
VAL B
57
−25.944
−1.676
13.898
1.00
62.01
O

ATOM
2624
N
ASP B
58
−27.164
−1.544
15.782
1.00
63.60
N

ATOM
2625
CA
ASP B
58
−26.040
−1.191
16.613
1.00
63.55
C

ATOM
2626
CB
ASP B
58
−26.477
−0.319
17.767
1.00
62.70
C

ATOM
2627
CG
ASP B
58
−25.317
0.271
18.489
1.00
64.17
C

ATOM
2628
OD1
ASP B
58
−24.505
−0.492
19.057
1.00
67.81
O

ATOM
2629
OD2
ASP B
58
−25.187
1.505
18.502
1.00
65.01
O

ATOM
2630
C
ASP B
58
−25.340
−2.462
17.109
1.00
64.10
C

ATOM
2631
O
ASP B
58
−25.886
−3.204
17.291
1.00
64.02
O

ATOM
2632
N
VAL B
59
−24.120
−2.682
16.608
1.00
64.27
N

ATOM
2633
CA
VAL B
59
−23.305
−3.851
16.930
1.00
64.46
C

ATOM
2634
CB
VAL B
59
−21.883
−3.763
16.278
1.00
64.19
C

ATOM
2635
CG1
VAL B
59
−21.980
−3.760
14.792
1.00
62.66
C

ATOM
2636
CG2
VAL B
59
−21.116
−2.540
16.733
1.00
63.50
C

ATOM
2637
C
VAL B
59
−23.122
−4.064
18.426
1.00
65.36
C

ATOM
2638
O
VAL B
59
−22.917
−5.192
18.894
1.00
64.77
O

ATOM
2639
N
ASP B
60
−23.154
−2.970
19.171
1.00
66.86
N

ATOM
2640
CA
ASP B
60
−23.072
−3.066
20.614
1.00
68.24
C

ATOM
2641
CB
ASP B
60
−22.497
−1.770
21.199
1.00
68.43
C

ATOM
2642
CG
ASP B
60
−20.985
−1.643
20.971
1.00
69.30
C

ATOM
2643
OD1
ASP B
60
−20.517
−0.541
20.618
1.00
69.99
O

ATOM
2644
OD2
ASP B
60
−20.262
−2.647
21.143
1.00
70.16
O

ATOM
2645
C
ASP B
60
−24.426
−3.430
21.231
1.00
68.81
C

ATOM
2646
O
ASP B
60
−24.474
−4.026
22.303
1.00
68.99
O

ATOM
2647
N
ASP B
61
−25.521
−3.080
20.558
1.00
69.62
N

ATOM
2648
CA
ASP B
61
−28.845
−3.310
21.138
1.00
70.96
C

ATOM
2649
CB
ASP B
61
−27.904
−2.361
20.593
1.00
71.34
C

ATOM
2650
CG
ASP B
61
27.932
1.044
21.323
1.00
72.99
C

ATOM
2651
OD1
ASP B
61
−27.386
−0.984
22.461
1.00
73.20
O

ATOM
2652
OD2
ASP B
61
−28.504
−0.081
20.744
1.00
74.12
O

ATOM
2653
C
ASP B
61
−27.289
−4.693
20.830
1.00
71.34
C

ATOM
2654
O
ASP B
61
−27.979
−5.310
21.627
1.00
72.08
O

ATOM
2655
N
CYS B
61
−26.903
−5.175
19.659
1.00
71.51
N

ATOM
2656
CA
CYS B
62
−27.287
−6.490
19.220
1.00
71.67
C

ATOM
2657
CB
CYS B
62
−28.075
−6.302
17.026
1.00
71.71
C

ATOM
2658
SG
CYS B
62
−29.471
−5.242
18.014
1.00
57.01
S

ATOM
2659
C
CYS B
62
−26.036
−7.280
18.987
1.00
71.43
C

ATOM
2660
O
CYS B
62
−25.817
−7.776
17.876
1.00
71.58
O

ATOM
2661
N
GLN B
63
−25.201
−7.391
20.023
1.00
71.17
N

ATOM
2662
CA
GLN B
63
−23.995
−8.197
19.907
1.00
70.77
C

ATOM
2663
CB
GLN B
63
−23.371
−8.485
21.289
1.00
70.39
C

ATOM
2664
CG
GLN B
63
−21.834
−8.279
21.379
1.00
72.03
C

ATOM
2665
CD
GLN B
63
−21.369
−6.951
22.090
1.00
75.42
C

ATOM
2666
OE1
GLN B
63
−21.420
−6.844
23.319
1.00
75.50
O

ATOM
2667
NE2
GLN B
63
−20.882
−5.958
21.301
1.00
75.33
N

ATOM
2668
C
GLN B
63
−24.440
−.460
19.121
1.00
70.44
C

ATOM
2669
O
GLN B
63
−23.789
−9.855
18.137
1.00
70.48
O

ATOM
2670
N
ASP B
64
−25.611
−10.006
19.477
1.00
69.82
N

ATOM
2671
CA
ASP B
64
−26.112
−11.252
18.854
1.00
69.48
C

ATOM
2672
CB
ASP B
64
−27.288
−11.888
19.655
1.00
69.46
C

ATOM
2673
CG
ASP B
64
−28.585
−11.080
19.581
1.00
70.35
C

ATOM
2674
OD1
ASP B
64
−28.543
−9.834
19.497
1.00
70.83
O

ATOM
2675
OD2
ASP B
64
−29.675
−11.699
19.618
1.00
72.78
O

ATOM
2676
C
ASP B
64
−26.345
−11.239
17.319
1.00
68.89
C

ATOM
2677
O
ASP B
64
−25.922
−12.169
16.620
1.00
68.93
O

ATOM
2678
N
VAL B
65
−26.956
−10.200
16.767
1.00
68.24
N

ATOM
2679
CA
VAL B
65
−27.155
−10.223
15.312
1.00
68.57
C

ATOM
2680
CB
VAL B
65
−28.330
−9.316
14.828
1.00
68.57
C

ATOM
2681
CG1
VAL B
65
−27.902
−7.888
14.661
1.00
69.22
C

ATOM
2682
CG2
VAL B
65
−28.867
−9.824
13.519
1.00
68.71
C

ATOM
2683
C
VAL B
65
−25.849
−9.956
14.555
1.00
68.95
C

ATOM
2684
O
VAL B
65
−25.561
−10.580
13.507
1.00
68.66
O

ATOM
2685
N
ALA B
66
−25.055
−9.037
15.112
1.00
69.27
N

ATOM
2686
CA
ALA B
66
−23.712
−8.759
14.622
1.00
69.64
C

ATOM
2687
CB
ALA B
66
−22.934
−7.863
15.597
1.00
69.82
C

ATOM
2688
C
ALA B
66
22.990
10.085
14.407
1.00
69.55
C

ATOM
2689
O
ALA B
66
−22.378
−10.300
13.355
1.00
69.63
O

ATOM
2690
N
SER B
67
−23.097
−10.983
15.380
1.00
69.74
N

ATOM
2691
CA
SER B
67
−22.426
−12.255
15.234
1.00
70.43
C

ATOM
2692
CB
SER B
67
−22.171
−12.908
16.570
1.00
70.99
C

ATOM
2693
OG
SER B
67
−20.953
−13.635
16.464
1.00
73.34
O

ATOM
2694
C
SER B
67
−23.063
−13.224
14.247
1.00
70.17
C

ATOM
2695
O
SER B
67
−22.359
−13.740
13.362
1.00
69.89
O

ATOM
2696
N
GLU B
68
−24.375
−13.454
14.380
1.00
70.14
N

ATOM
2697
CA
GLU B
68
−25.128
−14.209
13.361
1.00
70.36
C

ATOM
2698
CB
GLU B
68
−26.650
−14.094
13.569
1.00
70.30
C

ATOM
2699
CG
GLU B
68
−27.361
−15.416
13.985
1.00
70.62
C

ATOM
2700
CD
GLU B
68
−28.141
−16.118
12.829
1.00
70.84
C

ATOM
2701
OE1
GLU B
68
−28.527
−15.446
11.833
1.00
68.91
O

ATOM
2702
OE2
GLU B
68
−28.378
−17.355
12.932
1.00
70.34
O

ATOM
2703
C
GLU B
68
−24.749
−13.970
11.927
1.00
70.59
C

ATOM
2704
O
GLUB
68
−24.884
−14.591
10.985
1.00
70.69
O

ATOM
2705
N
CYS B
69
−24.265
−12.544
11.780
1.00
70.46
N

ATOM
2706
CA
CYS B
69
−23.932
−11.961
10.471
1.00
70.00
C

ATOM
2707
CB
CYS B
69
−24.591
−10.595
10.331
1.00
70.71
C

ATOM
2708
SG
CYS B
69
−26.364
−10.564
10.066
1.00
70.82
S

ATOM
2709
C
CYS B
69
−22.452
−11.722
10.216
1.00
69.35
C

ATOM
2710
O
CYS B
69
−22.124
−10.895
9.366
1.00
68.55
O

ATOM
2711
N
GLU B
70
−21.579
−12.415
10.951
1.00
68.70
N

ATOM
2712
CA
GLU B
70
−20.119
−12.186
10.896
1.00
67.94
C

ATOM
2713
CB
GLU B
70
−19.463
−13.105
9.871
1.00
68.09
C

ATOM
2714
CG
GLU B
70
−19.260
−14.488
10.369
1.00
70.05
C

ATOM
2715
CD
GLU B
70
−19.743
−15.480
9.362
1.00
71.86
C

ATOM
2716
OE1
GLU B
70
−19.163
−15.481
8.256
1.00
72.67
O

ATOM
2717
OE2
GLU B
70
−20.711
−16.225
9.663
1.00
71.30
O

ATOM
2718
C
GLU B
70
−19.684
−10.746
10.609
1.00
66.65
C

ATOM
2719
O
GLU B
70
−18.937
−10.487
9.660
1.00
85.94
O

ATOM
2720
N
VAL B
71
−20.121
−9.811
11.420
1.00
65.27
N

ATOM
2721
CA
VAL B
71
−19.679
−8.472
11.143
1.00
65.18
C

ATOM
2722
CB
VAL B
71
−20.756
−7.428
11.457
1.00
66.13
C

ATOM
2723
CG1
VAL B
71
−20.148
−6.019
11.449
1.00
67.88
C

ATOM
2724
CG2
VAL B
71
−21.894
−7.531
10.440
1.00
65.98
C

ATOM
2725
C
VAL B
71
−18.381
−8.187
11.865
1.00
63.85
C

ATOM
2726
O
VAL B
71
−18.254
−8.459
13.039
1.00
63.48
O

ATOM
2727
N
LYS B
72
−17.413
−7.624
11.157
1.00
62.90
N

ATOM
2728
CA
LYS B
72
−16.097
−7.473
11.739
1.00
61.61
C

ATOM
2729
CB
LYS B
72
−15.056
−8.031
10.808
1.00
61.68
C

ATOM
2730
CG
LYS B
72
−15.140
−9.547
10.779
1.00
64.97
C

ATOM
2731
CD
LYS B
72
−14.221
−10.194
11.835
1.00
68.85
C

ATOM
2732
CE
LYS B
72
−14.852
−11.403
12.531
1.00
69.69
C

ATOM
2733
NZ
LYS B
72
−13.816
−11.950
13.470
1.00
69.74
N

ATOM
2734
C
LYS B
72
−15.816
−6.049
12.079
1.00
60.55
C

ATOM
2735
O
LYS B
72
−15.094
−5.760
13.024
1.00
60.77
O

ATOM
2736
N
CYS B
73
−16.430
−5.143
11.349
1.00
59.36
N

ATOM
2737
CA
CYS B
73
−16.122
−3.754
11.539
1.00
58.77
C

ATOM
2738
CB
CYS B
73
−14.848
−3.396
10.752
1.00
59.74
C

ATOM
2739
SG
CYS B
73
−15.116
−3.521
8.946
1.00
64.15
S

ATOM
2740
C
CYS B
73
−17.281
−2.890
11.131
1.00
56.84
C

ATOM
2741
O
CYS B
73
−18.2387
−3.352
10.557
1.00
56.99
O

ATOM
2742
N
MET B
74
−17.179
−1.612
11.419
1.00
55.89
N

ATOM
2743
CA
MET B
74
−18.315
−0.691
11.308
1.00
55.23
C

ATOM
2744
CB
MET B
74
−18.796
−0.181
12.698
1.00
54.63
C

ATOM
2745
CG
MET B
74
−19.350
−1.180
13.650
1.00
53.08
C

ATOM
2746
SD
MET B
74
−18.161
−2.425
14.244
1.00
60.31
S

ATOM
2747
CE
MET B
74
−17.188
−1.695
15.580
1.00
51.46
C

ATOM
2748
C
MET B
74
−17.728
0.477
10.593
1.00
54.65
C

ATOM
2749
O
MET B
74
−16.555
0.751
10.792
1.00
54.85
O

ATOM
2750
N
PRO B
75
−18.511
1.156
9.754
1.00
54.54
N

ATOM
2751
CA
PRO B
75
−19.793
0.723
9.219
1.00
54.40
C

ATOM
2752
CB
PRO B
75
20.271
1.926
8.394
1.00
54.50
C

ATOM
2753
CG
PRO B
75
−19.283
2.994
8.551
1.00
55.89
C

ATOM
2754
CD
PRO B
75
−18.103
2.495
9.286
1.00
54.66
C

ATOM
2755
C
PRO B
75
−19.558
−0.409
8.250
1.00
54.29
C

ATOM
2756
O
PRO B
75
−18.608
−0.32
7.449
1.00
54.50
O

ATOM
2757
N
THR B
76
−20.367
−1.469
8.344
1.00
53.70
N

ATOM
2758
CA
THR B
76
−20.468
−2.492
7.284
1.00
52.82
C

ATOM
2759
CB
THR B
76
−20.219
−3.937
7.802
1.00
53.28
C

ATOM
2760
OG1
THR B
76
−18.842
−4.144
8.065
1.00
49.94
O

ATOM
2761
CG2
THR B
76
−20.702
5.020
6.752
1.00
52.99
C

ATOM
2762
C
THR B
76
−21.890
−2.506
6.777
1.00
52.76
C

ATOM
2763
O
THR B
76
−22.838
−2.499
7.544
1.00
52.47
O

ATOM
2764
N
PHE B
77
−22.053
−2.587
5.480
1.00
52.91
N

ATOM
2765
CA
PHE B
77
−23.386
−2.600
4.938
1.00
53.04
C

ATOM
2766
CB
PHE B
77
−23.501
−1.507
3.920
1.00
51.58
C

ATOM
2767
CG
PHE B
77
−23.389
−0.158
4.471
1.00
49.15
C

ATOM
2768
CD1
PHE B
77
−24.498
0.476
4.999
1.00
50.76
C

ATOM
2769
CE1
PHE B
77
−24.418
1.777
5.506
1.00
51.92
C

ATOM
2770
CZ
PHE B
77
−23.207
2.463
5.449
1.00
52.36
C

ATOM
2771
CE2
PHE B
77
−22.085
1.825
4.885
1.00
51.01
C

ATOM
2772
CD2
PHE B
77
−22.192
0.522
4.409
1.00
48.39
C

ATOM
2773
C
PHE B
77
−23.690
−3.495
4.285
1.00
54.71
C

ATOM
2774
O
PHE B
77
−22.889
−4.490
3.523
1.00
55.14
O

ATOM
2775
N
GLN B
78
−24.850
−4.500
4.570
1.00
56.34
N

ATOM
2776
CA
GLN B
78
−25.184
−5.760
3.909
1.00
58.44
C

ATOM
2777
CB
GLN B
78
−25.242
−6.886
4.930
1.00
58.59
C

ATOM
2778
CG
GLN B
78
−23.957
−7.128
5.602
1.00
60.01
C

ATOM
2779
CD
GLN B
78
−23.946
−8.461
6.428
1.00
61.40
C

ATOM
2780
OE1
GLN B
78
−22.893
−8.490
6.847
1.00
63.37
O

ATOM
2781
NE2
GLN B
78
−25.119
−9.068
6.590
1.00
63.17
N

ATOM
2782
C
GLN B
78
−26.493
−5.683
3.117
1.00
59.32
C

ATOM
2783
O
GLN B
78
−27.476
−5.088
3.586
1.00
59.18
O

ATOM
2784
N
PHE B
79
−26.497
−6.288
1.926
1.00
60.88
N

ATOM
2785
CA
PHE B
79
−27.261
−6.250
1.038
1.00
62.27
C

ATOM
2786
CB
PHE B
79
−27.331
−5.608
−0.304
1.00
62.26
C

ATOM
2787
CG
PHE B
79
−26.751
−4.213
−0.187
1.00
63.28
C

ATOM
2788
CD1
PHE B
79
−25.607
−3.976
0.543
1.00
63.73
C

ATOM
2789
CE1
PHE B
79
−25.074
−2.703
0.644
1.00
65.78
C

ATOM
2790
CZ
PHE B
79
−25.696
−1.631
0.009
1.00
67.81
C

ATOM
2791
CE2
PHE B
79
−26.840
−1.849
−0.738
1.00
65.78
C

ATOM
2792
CD2
PHE B
79
−27.356
−3.135
−0.831
1.00
65.88
C

ATOM
2793
C
PHE B
79
−28.238
−7.618
0.809
1.00
63.05
C

ATOM
2794
O
PHE B
79
−27.512
−8.573
0.513
1.00
62.85
O

ATOM
2795
N
PHE B
80
−29.557
−7.669
0.941
1.00
65.00
N

ATOM
2796
CA
PHE B
80
−30.404
−8.852
0.695
1.00
66.65
C

ATOM
2797
CB
PHE B
80
−31.012
−9.358
2.005
1.00
66.12
C

ATOM
2798
CG
PHE B
80
−30.055
−9.352
3.125
1.00
67.46
C

ATOM
2799
CD1
PHE B
80
−29.756
−8.168
3.790
1.00
67.44
C

ATOM
2800
CE1
PHE B
80
−28.837
−8.146
4.831
1.00
66.84
C

ATOM
2801
CZ
PHE B
80
−28.193
−9.333
5.226
1.00
67.00
C

ATOM
2802
CE2
PHE B
80
−28.463
−10.524
4.554
1.00
67.48
C

ATOM
2803
CE2
PHE B
80
−29.401
−10.521
3.498
1.00
68.95
C

ATOM
2804
C
PHE B
80
−31.551
−8.562
−0.292
1.00
67.92
C

ATOM
2805
O
PHE B
80
32.139
7.457
0.324
1.00
67.65
O

ATOM
2806
N
LYS B
81
−31.849
−9.590
−1.090
1.00
69.67
N

ATOM
2807
CA
LYS B
81
−33.074
−9.701
−1.883
1.00
70.31
C

ATOM
2808
CB
LYS B
81
−32.754
−9.634
−3.384
1.00
70.36
C

ATOM
2809
CG
LYS B
81
−33.752
−8.796
−4.242
1.00
70.16
C

ATOM
2810
CD
LYS B
81
−32.973
−7.934
−5.291
1.00
70.55
C

ATOM
2811
CE
LYS B
81
−31.767
−8.728
−8.007
1.00
70.37
C

ATOM
2812
NZ
LYS B
81
−31.275
−7.975
−7.313
1.00
69.33
N

ATOM
2813
C
LYS B
81
−33.652
−11.068
−1.521
1.00
70.79
C

ATOM
2814
O
LYS B
81
−32.928
−12.066
−1.457
1.00
70.84
O

ATOM
2815
N
LYS B
82
−34.956
−11.106
−1.723
1.00
71.86
N

ATOM
2816
CA
LYS B
82
−35.670
−12.358
−0.924
1.00
72.11
C

ATOM
2817
CB
LYS B
82
−35.403
−13.512
−1.930
1.00
71.81
C

ATOM
2818
CG
LYS B
82
−35.953
−13.289
−3.366
1.00
70.88
C

ATOM
2819
CD
LYS B
82
−37.164
−14.175
−3.720
1.00
69.21
C

ATOM
2820
CE
LYS B
82
−37.475
−14.176
−5.254
1.00
66.83
C

ATOM
2821
NZ
LYS B
82
−38.782
−14.787
−5.616
1.00
63.29
N

ATOM
2822
C
LYS B
82
−35.375
−12.807
0.507
1.00
72.32
C

ATOM
2823
O
LYS B
82
−36.164
−13.541
1.092
1.00
72.93
O

ATOM
2824
N
GLY B
83
−34.263
−12.356
1.075
1.00
72.41
N

ATOM
2825
CA
GLY B
83
−33.868
−12.795
2.410
1.00
72.45
C

ATOM
2826
C
GLY B
83
−32.394
−13.137
2.442
1.00
72.55
C

ATOM
2827
O
GLY B
83
−31.772
−13.187
3.504
1.00
72.50
O

ATOM
2828
N
GLN B
84
−31.820
−13.356
1.269
1.00
72.52
N

ATOM
2829
CA
GLN B
84
−30.454
−13.844
1.206
1.00
72.67
C

ATOM
2830
CB
GLN B
84
−30.416
−15.100
0.326
1.00
72.92
C

ATOM
2831
CG
GLN B
84
−31.399
−16.197
0.813
1.00
73.92
C

ATOM
2832
CD
GLN B
84
−31.110
−16.716
2.259
1.00
75.23
C

ATOM
2833
OE1
GLN B
84
−31.011
−17.390
2.478
1.00
74.42
O

ATOM
2834
NE2
GLN B
84
−30.984
−15.793
3.237
1.00
74.74
N

ATOM
2835
C
GLN B
84
−29.482
−12.758
0.748
1.00
72.24
C

ATOM
2836
O
GLN B
84
−29.710
−12.112
−0.283
1.00
72.63
O

ATOM
2837
N
LYS B
85
−28.422
−12.534
1.525
1.00
71.28
N

ATOM
2838
CA
LYS B
85
−27.433
−11.511
1.177
1.00
0.34
C

ATOM
2839
CB
LYS B
85
−26.146
−11.680
2.001
1.00
70.46
C

ATOM
2840
CG
LYS B
85
25.200
−10.451
1.941
1.00
70.19
C

ATOM
2841
CD
LYS B
85
−23.856
−10.675
2.610
1.00
69.56
C

ATOM
2842
CE
LYS B
85
−24.039
−11.096
4.073
1.00
69.26
C

ATOM
2843
NZ
LYS B
85
−22.812
−11.737
4.611
1.00
67.15
N

ATOM
2844
C
LYS B
85
−27.090
−11.605
−0.299
1.00
69.72
C

ATOM
2845
O
LYS B
85
−27.008
−12.698
−0.857
1.00
70.04
O

ATOM
2846
N
VAL B
86
−26.916
−10.473
−0.953
1.00
68.72
N

ATOM
2847
CA
VAL B
86
−26.347
−10.525
−2.295
1.00
68.14
C

ATOM
2848
CB
VAL B
86
−27.390
−10.347
−3.482
1.00
67.73
C

ATOM
2849
CG1
VAL B
86
−28.824
−10.607
−3.029
1.00
67.53
C

ATOM
2850
CG2
VAL B
86
−27.285
−9.001
−4.151
1.00
66.62
C

ATOM
2851
C
VAL B
86
−25.218
−0.516
−2.337
1.00
88.28
C

ATOM
2852
O
VAL B
86
−24.328
−9.601
−3.188
1.00
68.44
O

ATOM
2853
N
GLY B
87
−25.247
−8.569
−1.399
1.00
67.72
N

ATOM
2854
CA
GLY B
87
−24.204
−7.546
−1.359
1.00
67.09
C

ATOM
2855
C
GLY B
87
−23.670
−7.306
0.030
1.00
66.36
C

ATOM
2856
O
GLY B
87
−24.349
−7.619
1.039
1.00
66.62
O

ATOM
2857
N
GLU B
88
−22.455
−6.763
0.086
1.00
64.68
N

ATOM
2858
CA
GLU B
88
−21.901
−6.349
1.350
1.00
63.84
C

ATOM
2859
CB
GLU B
88
−21.897
−7.504
2.310
1.00
64.44
C

ATOM
2860
CG
GLU B
88
−21.390
−7.148
3.651
1.00
67.65
C

ATOM
2861
CD
GLU B
88
−20.437
−8.211
4.091
1.00
74.37
C

ATOM
2862
OE1
GLU B
88
−20.284
−9.183
3.261
1.00
76.00
O

ATOM
2863
OE2
GLU B
88
−19.844
−8.070
5.214
1.00
72.63
O

ATOM
2864
C
GLU B
88
−20.513
−5.792
1.236
1.00
62.51
C

ATOM
2865
O
GLU B
88
−19.673
−6.346
0.555
1.00
62.58
O

ATOM
2866
N
PHE B
89
−20.294
−4.675
1.919
1.00
61.13
N

ATOM
2867
CA
PHE B
89
−19.021
−3.984
1.941
1.00
59.83
C

ATOM
2868
CB
PHE B
89
−18.844
−3.050
0.724
1.00
59.89
C

ATOM
2869
CG
PHE B
89
−19.537
−1.705
0.855
1.00
59.74
C

ATOM
2870
CD1
PHE B
89
−18.838
−0.581
1.263
1.00
59.70
C

ATOM
2871
CE1
PHE B
89
−19.499
0.697
1.415
1.00
61.17
C

ATOM
2872
CZ
PHE B
89
−20.865
0.835
1.105
1.00
58.21
C

ATOM
2873
CE2
PHE B
89
−21.559
−0.283
0.658
1.00
59.52
C

ATOM
2874
CD2
PHE B
89
−20.893
−1.563
0.554
1.00
60.20
C

ATOM
2875
C
PHE B
89
−18.932
−3.188
3.227
1.00
59.07
C

ATOM
2876
O
PHE B
89
−19.963
−2.827
3.826
1.00
58.82
O

ATOM
2877
N
SER B
90
−17.687
−2.896
3.615
1.00
57.42
N

ATOM
2878
CA
SER B
90
−17.377
−2.103
4.789
1.00
55.56
C

ATOM
2879
CB
SER B
90
−16.461
−2.910
5.681
1.00
55.44
C

ATOM
2880
OG
SER B
90
−17.207
−3.971
6.228
1.00
56.22
O

ATOM
2881
C
SER B
90
−16.722
−0.783
4.434
1.00
54.39
C

ATOM
2882
O
SER B
90
−16.080
0.656
3.418
1.00
53.14
O

ATOM
2883
N
GLY B
91
−16.907
0.203
5.289
1.00
53.74
N

ATOM
2884
CA
GLY B
91
−16.211
1.459
5.146
1.00
53.82
C

ATOM
2885
C
GLY B
91
−17.211
2.567
4.957
1.00
53.49
C

ATOM
2886
O
GLY B
91
−18.219
2.346
4.345
1.00
52.93
O

ATOM
2887
N
ALA B
92
−16.914
3.776
5.428
1.00
54.15
N

ATOM
2888
CA
ALA B
92
−17.855
4.909
5.267
1.00
54.74
C

ATOM
2889
CB
ALA B
92
−17.684
5.948
6.386
1.00
53.84
C

ATOM
2890
C
ALA B
92
−17.765
5.581
3.939
1.00
54.75
C

ATOM
2891
O
ALA B
92
−17.407
6.700
3.879
1.00
57.10
O

ATOM
2892
N
ASN B
93
−18.131
4.947
2.859
1.00
55.04
N

ATOM
2893
CA
ASN B
93
−17.968
5.598
1.585
1.00
55.05
C

ATOM
2894
CB
ASN B
93
−17.094
4.674
0.752
1.00
55.34
C

ATOM
2895
CG
ASN B
93
−16.867
5.154
−0.668
1.00
57.90
C

ATOM
2896
OD1
ASN B
93
−17.589
6.008
−1.228
1.00
60.79
O

ATOM
2897
ND2
ASN B
93
−15.857
4.584
−1.274
1.00
59.37
N

ATOM
2898
C
ASN B
93
−19.354
5.838
0.962
1.00
55.29
C

ATOM
2899
O
ASN B
93
−19.979
4.907
0.448
1.00
55.01
O

ATOM
2900
N
LYS B
94
−19.861
7.072
1.019
1.00
55.65
N

ATOM
2901
CA
LYS B
94
−21.230
7.328
0.493
1.00
56.25
C

ATOM
2902
CB
LYS B
94
−21.583
8.821
0.379
1.00
56.68
C

ATOM
2903
CG
LYS B
94
−20.934
9.760
1.378
1.00
59.95
C

ATOM
2904
CD
LYS B
94
−21.357
11.190
1.118
1.00
62.63
C

ATOM
2905
CE
LYS B
94
−20.933
11.640
−0.264
1.00
66.03
C

ATOM
2906
NZ
LYS B
94
−19.462
11.886
−0.322
1.00
67.17
N

ATOM
2907
C
LYS B
94
−21.413
6.722
0.900
1.00
55.93
C

ATOM
2908
O
LYS B
94
−22.328
5.906
−1.117
1.00
55.38
O

ATOM
2909
N
GLU B
95
−20.508
7.140
−1.811
1.00
55.35
N

ATOM
2910
CA
GLU B
95
−20.532
6.866
−3.259
1.00
53.86
C

ATOM
2911
CB
GLU B
95
−19.241
7.331
−3.936
1.00
54.51
C

ATOM
2912
CG
GLU B
95
−19.011
8.829
−4.092
1.00
56.81
C

ATOM
2913
CD
GLU B
95
−18.692
9.562
−2.772
1.00
62.75
C

ATOM
2914
OE1
GLU B
95
−18.269
8.917
−1.725
1.00
62.27
O

ATOM
2915
OE2
GLU B
95
−18.886
10.806
−2.806
1.00
63.45
C

ATOM
2916
C
GLU B
95
−20.656
5.407
−3.521
1.00
52.59
C

ATOM
2917
O
GLU B
95
−21.527
4.971
−4.285
1.00
51.94
O

ATOM
2918
N
LYS B
96
−19.769
4.660
−2.885
1.00
51.98
N

ATOM
2919
CA
LYS B
96
−19.813
3.220
−2.933
1.00
52.85
C

ATOM
2920
CB
LYS B
96
−18.726
2.604
−2.069
1.00
52.61
C

ATOM
2921
CG
LYS B
96
−18.936
1.093
−1.886
1.00
56.22
C

ATOM
2922
CD
LYS B
96
−18.908
0.286
−3.199
1.00
61.19
C

ATOM
2923
CE
LYS B
96
−18.247
−1.111
−3.028
1.00
65.06
C

ATOM
2924
NZ
LYS B
96
−17.092
−1.110
−1.997
1.00
65.93
N

ATOM
2925
C
LYS B
96
−21.167
2.702
−2.487
1.00
52.65
C

ATOM
2926
O
LYS B
96
−21.731
1.821
−3.114
1.00
52.01
O

ATOM
2927
N
LEU B
97
−21.695
3.275
−1.422
1.00
52.99
N

ATOM
2928
CA
LEU B
97
−22.996
2.849
−0.935
1.00
54.91
C

ATOM
2929
CB
LEU B
97
−23.305
3.514
0.422
1.00
55.37
C

ATOM
2930
CG
LEU B
97
−24.692
3.296
1.011
1.00
54.82
C

ATOM
2931
CD1
LEU B
97
−25.019
1.826
1.344
1.00
53.94
C

ATOM
2932
CD2
LEU B
97
−24.170
4.150
2.235
1.00
56.12
C

ATOM
2933
C
LEU B
97
−24.170
3.062
−1.924
1.00
55.37
C

ATOM
2934
O
LEU B
97
−24.958
2.124
−2.146
1.00
56.40
O

ATOM
2935
N
GLU B
98
−24.311
4.279
−2.477
1.00
54.79
N

ATOM
2936
CA
GLU B
98
−25.309
4.533
−3.511
1.00
53.86
C

ATOM
2937
CB
GLU B
98
−25.332
5.990
−3.929
1.00
52.67
C

ATOM
2938
CG
GLU B
98
−20.527
8.338
−4.704
1.00
51.49
C

ATOM
2939
CD
GLU B
98
−26.657
7.837
−5.076
1.00
52.10
C

ATOM
2940
OE1
GLU B
98
−25.683
8.617
−4.814
1.00
49.63
O

ATOM
2941
OE2
GLU B
98
−27.754
8.214
−5.604
1.00
49.85
O

ATOM
2942
C
GLU B
98
−24.968
3.657
−4.672
1.00
54.48
C

ATOM
2943
O
GLU B
98
−25.761
2.842
−5.088
1.00
54.84
O

ATOM
2944
N
ALA B
99
−23.749
3.775
−5.166
1.00
55.74
N

ATOM
2945
CA
ALA B
99
−23.321
2.879
−6.244
1.00
56.58
C

ATOM
2946
CB
ALA B
99
−21.816
2.965
−6.502
1.00
55.73
C

ATOM
2947
C
ALA B
99
−23.751
1.438
−5.989
1.00
56.75
C

ATOM
2948
O
ALA B
99
−24.317
0.831
−6.878
1.00
57.76
O

ATOM
2949
N
THR B
100
−23.531
0.897
−4.792
1.00
56.49
N

ATOM
2950
CA
THR B
100
−23.860
−0.512
−4.588
1.00
56.63
C

ATOM
2951
CB
THR B
100
−23.239
−1.145
−3.276
1.00
56.27
C

ATOM
2952
OG1
THR B
100
20.803
1.125
3.314
1.00
54.67
O

ATOM
2953
CG2
THR B
100
−23.680
−2.564
−3.088
1.00
54.47
C

ATOM
2954
C
THR B
100
−25.366
−0.651
−4.585
1.00
58.00
C

ATOM
2955
O
THR B
100
−25.897
−1.631
−5.112
1.00
58.08
O

ATOM
2956
N
ILE B
101
−26.053
0.345
−4.011
1.00
59.59
N

ATOM
2957
CA
ILE B
101
−27.507
0.284
−3.859
1.00
61.09
C

ATOM
2958
CB
ILE B
101
−28.079
1.537
−3.221
1.00
61.03
C

ATOM
2959
CG1
ILE B
101
−27.997
1.406
−1.702
1.00
61.72
C

ATOM
2960
CD1
ILE B
101
−28.500
2.625
−0.956
1.00
61.71
C

ATOM
2961
CG2
ILE B
101
−29.560
1.799
−3.739
1.00
60.08
C

ATOM
2962
C
ILE B
101
−28.133
0.171
−5.207
1.00
62.58
C

ATOM
2963
O
ILE B
101
−28.837
−0.805
−5.488
1.00
62.03
O

ATOM
2964
N
ASN B
102
−27.874
1.189
−6.029
1.00
64.00
N

ATOM
2965
CA
ASN B
102
−28.311
1.192
−7.389
1.00
65.67
C

ATOM
2966
CB
ASN B
102
−27.591
2.284
−8.184
1.00
65.88
C

ATOM
2967
CG
ASN B
102
−28.010
3.670
−7.778
1.00
64.99
C

ATOM
2968
OD1
ASN B
102
−29.187
3.970
−7.703
1.00
65.08
O

ATOM
2969
ND2
ASN B
102
−27.042
4.527
−7.530
1.00
66.16
N

ATOM
2970
C
ASN B
102
−27.903
−0.163
−7.910
1.00
66.91
C

ATOM
2971
O
ASN B
102
−28.760
−1.019
−8.120
1.00
67.39
O

ATOM
2972
N
GLU B
103
−26.591
−0.380
−8.035
1.00
67.88
N

ATOM
2973
CA
GLU B
103
−26.053
−1.579
−8.686
1.00
69.22
C

ATOM
2974
CB
GLU B
103
−24.510
−1.558
−9.707
1.00
69.23
C

ATOM
2975
CG
GLU B
103
−23.865
−2.555
−9.683
1.00
69.78
C

ATOM
2976
CD
GLU B
103
−22.897
−3.560
−9.008
1.00
70.95
C

ATOM
2977
OE1
GLU B
103
−22.548
−4.585
−9.681
1.00
72.18
O

ATOM
2978
OE2
GLU B
103
−22.495
−3.341
−7.832
1.00
65.86
O

ATOM
2979
C
GLU B
103
26.582
2.913
8.106
1.00
69.80
C

ATOM
2980
O
GLU B
103
−26.040
−3.974
−8.406
1.00
70.03
O

ATOM
2981
N
LEU B
104
−27.629
−2.871
−7.288
1.00
70.27
N

ATOM
2982
CA
LEU B
104
−28.179
−4.099
−6.744
1.00
70.90
C

ATOM
2983
CB
LEU B
104
−27.584
−4.383
−5.378
1.00
70.69
C

ATOM
2984
CG
LEU B
104
−26.374
−5.298
−5.240
1.00
70.93
C

ATOM
2985
CD1
LEU B
104
−26.346
−5.656
−3.758
1.00
71.78
C

ATOM
2986
CD2
LEU B
104
−26.419
−6.558
−6.125
1.00
67.86
C

ATOM
2987
C
LEU B
104
−29.687
−4.137
−6.627
1.00
71.68
C

ATOM
2988
O
LEU B
104
−30.239
−5.227
−6.470
1.00
71.72
O

ATOM
2989
N
VAL B
105
−30.336
−2.961
−6.667
1.00
72.70
N

ATOM
2990
CA
VAL B
105
−31.801
−2.833
−6.545
1.00
73.71
C

ATOM
2991
CB
VAL B
105
−32.353
−1.557
−7.236
1.00
73.47
C

ATOM
2992
CG1
VAL B
105
−33.831
−1.423
−6.979
1.00
73.70
C

ATOM
2993
CG2
VAL B
105
−31.660
−0.326
−6.73
1.00
73.88
C

ATOM
2994
C
VAL B
105
−32.476
−4.043
−7.192
1.00
74.56
C

ATOM
2995
O
VAL B
105
−33.424
−4.644
−6.652
1.00
75.13
O

ATOM
2996
OXT
VAL B
105
−32.060
−4.448
−8.289
1.00
75.02
O

TER

ATOM
2997
N
LYS C
8
25.142
3.286
6.181
1.00
65.61
N

ATOM
2998
CA
LYS C
8
25.219
4.732
5.770
1.00
66.40
C

ATOM
2999
CB
LYS C
8
23.895
5.178
5.169
1.00
66.52
C

ATOM
3000
CG
LYS C
8
23.985
6.495
4.380
1.00
68.27
C

ATOM
3001
CD
LYS C
8
23.576
7.741
5.210
1.00
68.57
C

ATOM
3002
CE
LYS C
8
23.269
8.914
4.268
1.00
70.26
C

ATOM
3003
NZ
LYS C
8
22.638
10.100
4.933
1.00
69.87
N

ATOM
3004
C
LYS C
8
25.748
5.761
6.839
1.00
66.46
C

ATOM
3005
O
LYS C
8
26.891
6.192
6.729
1.00
67.19
O

ATOM
3006
N
SER C
9
24.932
6.203
7.810
1.00
65.61
N

ATOM
3007
CA
SER C
9
25.466
6.883
9.015
1.00
64.77
C

ATOM
3008
CB
SER C
9
24.759
8.203
9.379
1.00
64.46
C

ATOM
3009
OG
SER C
9
24.001
8.731
8.313
1.00
64.95
O

ATOM
3010
C
SER C
9
25.214
5.914
10.148
1.00
64.52
C

ATOM
3011
O
SER C
9
24.187
5.217
10.149
1.00
65.30
O

ATOM
3012
N
PHE C
10
26.135
5.894
11.108
1.00
63.18
N

ATOM
3013
CA
PHE C
10
26.089
5.036
12.272
1.00
61.98
C

ATOM
3014
CB
PHE C
10
26.543
3.631
11.906
1.00
61.36
C

ATOM
3015
CG
PHE C
10
26.554
2.666
13.068
1.00
60.31
C

ATOM
3016
CD1
PHE C
10
25.445
2.544
13.911
1.00
60.33
C

ATOM
3017
CE1
PHE C
10
25.462
1.633
14.980
1.00
59.24
C

ATOM
3018
CZ
PHE C
10
26.598
0.829
15.190
1.00
58.49
C

ATOM
3019
CE2
PHE C
10
27.692
0.936
14.341
1.00
55.96
C

ATOM
3020
CD2
PHE C
10
27.663
1.856
13.208
1.00
57.76
C

ATOM
3021
C
PHE C
10
27.042
5.656
13.294
1.00
62.21
C

ATOM
3022
O
PHE C
10
28.260
5.370
13.314
1.00
62.66
O

ATOM
3023
N
GLU B
11
26.496
6.498
14.158
1.00
61.20
N

ATOM
3024
CA
GLU C
11
27.350
7.428
14.851
1.00
60.30
C

ATOM
3025
CB
GLU C
11
27.209
8.763
14.129
1.00
60.69
C

ATOM
3026
CG
GLU C
11
28.504
9.345
13.580
1.00
65.18
C

ATOM
3027
CD
GLU C
11
29.038
10.535
14.429
1.00
68.62
C

ATOM
3028
OE1
GLU C
11
28.267
11.625
14.666
1.00
64.56
O

ATOM
3029
OE2
GLU C
11
30.236
10.460
14.841
1.00
68.46
O

ATOM
3030
C
GLU C
11
26.980
7.497
16.359
1.00
58.73
C

ATOM
3031
O
GLU C
11
25.793
7.508
16.722
1.00
58.61
O

ATOM
3032
N
VAL C
12
28.004
7.462
17.226
1.00
56.26
N

ATOM
3033
CA
VAL C
12
27.817
7.605
18.663
1.00
52.74
C

ATOM
3034
CB
VAL C
12
28.909
6.899
19.443
1.00
52.34
C

ATOM
3035
CG1
VAL C
12
28.812
7.272
20.903
1.00
53.26
C

ATOM
3036
CG2
VAL C
12
28.755
5.438
10.315
1.00
49.64
C

ATOM
3037
C
VAL C
12
27.879
9.087
18.968
1.00
51.52
C

ATOM
3038
O
VAL C
12
28.867
9.742
18.692
1.00
51.35
O

ATOM
3039
N
VAL C
13
26.816
9.617
19.539
1.00
49.38
N

ATOM
3040
CA
VAL C
13
26.682
11.036
19.710
1.00
46.89
C

ATOM
3041
CB
VAL C
13
25.560
11.527
18.799
1.00
46.93
C

ATOM
3042
CG1
VAL C
13
25.348
13.021
18.911
1.00
45.24
C

ATOM
3043
CG2
VAL C
13
25.932
11.168
17.395
1.00
48.95
C

ATOM
3044
C
VAL C
13
26.350
11.311
21.154
1.00
45.52
C

ATOM
3045
O
VAL C
13
25.299
10.942
21.642
1.00
44.42
O

ATOM
3046
N
PHE C
14
27.256
11.994
21.824
1.00
44.89
N

ATOM
3047
CA
PHE C
14
27.057
12.415
23.207
1.00
44.59
C

ATOM
3048
CB
PHE C
14
28.417
12.650
23.879
1.00
43.98
C

ATOM
3049
CG
PHE C
14
29.274
11.449
23.887
1.00
41.20
C

ATOM
3050
CD1
PHE C
14
29.112
10.471
24.904
1.00
38.77
C

ATOM
3051
CE1
PHE C
14
29.884
9.321
24.943
1.00
38.49
C

ATOM
3052
CZ
PHE C
14
30.847
9.081
23.937
1.00
38.65
C

ATOM
3053
CE2
PHE C
14
30.982
10.053
22.864
1.00
43.21
C

ATOM
3054
CD2
PHE C
14
30.179
11.238
22.863
1.00
38.86
C

ATOM
3055
C
PHE C
14
26.252
13.686
23.316
1.00
44.73
C

ATOM
3056
O
PHE C
14
26.345
14.567
22.452
1.00
44.66
O

ATOM
3057
N
ASN C
15
25.494
13.791
24.404
1.00
44.85
N

ATOM
3058
CA
ASN C
15
24.764
15.00
24.694
1.00
44.72
C

ATOM
3059
CB
ASN C
15
23.856
14.745
25.825
1.00
44.06
C

ATOM
3060
CG
ASN C
15
22.810
13.735
25.466
1.00
45.37
C

ATOM
3061
OD1
ASN C
15
22.114
13.235
26.324
1.00
45.11
O

ATOM
3062
ND2
ASN C
15
22.689
13.416
24.166
1.00
50.89
N

ATOM
3063
C
ASN C
15
25.590
16.206
24.966
1.00
46.03
C

ATOM
3064
O
ASN C
15
25.199
17.256
24.569
1.00
47.48
O

ATOM
3065
N
ASP C
16
26.732
16.062
25.634
1.00
47.48
N

ATOM
3066
CA
ASP C
16
27.702
17.136
25.847
1.00
48.28
C

ATOM
3067
CB
ASP C
16
27.051
17.311
27.334
1.00
50.03
C

ATOM
3068
CG
ASP C
16
26.648
17.307
28.140
1.00
54.67
C

ATOM
3069
OD1
ASP C
16
26.514
16.520
29.131
1.00
59. 51
O

ATOM
3070
OD2
ASP C
16
25.737
18.088
27.756
1.00
60.86
O

ATOM
3071
C
ASP C
16
28.983
16.773
25.127
1.00
48.08
C

ATOM
3072
O
ASP C
16
29.883
16.114
25.654
1.00
48.19
O

ATOM
3073
N
PRO C
17
29.042
17.092
23.856
1.00
48.13
N

ATOM
3074
CA
PRO C
17
30.243
16.633
23.157
1.00
48.11
C

ATOM
3075
CB
PRO C
17
30.043
17.203
21.762
1.00
47.97
C

ATOM
3076
CG
PRO C
17
28.527
17.235
21.638
1.00
46.87
C

ATOM
3077
CD
PRO C
17
28.065
17.718
22.952
1.00
47.68
C

ATOM
3078
C
PRO C
17
31.556
17.121
23.754
1.00
48.66
C

ATOM
3379
O
PRO C
17
32.602
16.511
23.508
1.00
48 31
O

ATOM
3080
N
GLU C
18
31.534
18.219
24.514
1.00
41.84
N

ATOM
3081
CA
GLU C
18
32.806
18.716
25.063
1.00
49.29
C

ATOM
3082
CB
GLU C
18
33.087
20.155
24.623
1.00
49.04
C

ATOM
3083
CG
GLU C
18
33.776
20.214
23.295
1.00
49.59
C

ATOM
3084
CD
GLU C
18
32.896
19.661
22.182
1.00
53.55
C

ATOM
3085
OE1
GLU C
18
31.876
20.318
21.898
1.00
54.45
O

ATOM
3086
OE2
GLU C
18
33.193
18.569
21.610
1.00
54.62
O

ATOM
3087
C
GLU C
18
33.091
18.519
26.557
1.00
49.46
C

ATOM
3088
O
GLU C
18
34.069
19.079
27.103
1.00
50.74
O

ATOM
3089
N
LYS C
19
32.283
17.723
27.248
1.00
48.71
N

ATOM
3090
CA
LYS C
19
32.416
17.668
28.665
1.00
48.95
C

ATOM
3091
CB
LYS C
19
31.131
17.169
29.286
1.00
49.63
C

ATOM
3292
CG
LYS C
19
31.138
17.280
30.800
1.00
51.20
C

ATOM
3093
CD
LYS C
19
29.992
16.534
31.432
1.00
52.14
C

ATOM
3094
CE
LYS C
19
30.110
16.704
32.920
1.00
54.92
C

ATOM
3095
NZ
LYS C
19
29.002
15.960
33.506
1.00
56.54
N

ATOM
3076
C
LYS C
19
33.596
16.801
29.056
1.00
49.16
C

ATOM
3097
O
LYS C
19
33.912
15.813
28.361
1.00
50.15
O

ATOM
3098
N
VAL C
20
34.288
17.186
30.124
1.00
47.92
N

ATOM
3099
CA
VAL C
20
35.197
16.241
30.769
1.00
46.76
C

ATOM
3100
CB
VAL C
20
36.482
16.880
31.295
1.00
45.98
C

ATOM
3101
CG1
VAL C
20
37.449
15.757
31.716
1.00
43.11
C

ATOM
3102
CG2
VAL C
20
37.083
17.810
30.268
1.00
44.31
C

ATOM
3103
C
VAL C
20
34.452
15.653
31.979
1.00
47.16
C

ATOM
3104
O
VAL C
20
34.139
16.366
32.923
1.00
47.98
O

ATOM
3105
N
TYR C
21
34.174
14.358
31.963
1.00
46.32
N

ATOM
3106
CA
TYR C
21
33.354
13.771
32.992
1.00
44.87
C

ATOM
3107
CB
TYR C
21
32.604
12.537
32.463
1.00
44.46
C

ATOM
3108
CG
TYR C
21
31.676
12.807
31.288
1.00
43.69
C

ATOM
3109
CD1
TYR C
21
30.300
13.042
31.473
1.00
42.79
C

ATOM
3110
CE1
TYR C
21
29.463
13.303
30.406
1.00
43.11
C

ATOM
3111
CZ
TYR C
21
29.993
13.340
29.105
1.00
47.87
C

ATOM
3112
OH
TYR C
21
29.204
13.580
27.988
1.00
53.35
O

ATOM
3113
CE2
TYR C
21
31.338
13.132
28.891
1.00
45.49
C

ATOM
3114
CD2
TYR C
21
32.176
12.859
29.989
1.00
43.71
C

ATOM
3115
C
TYR C
21
34.196
13.487
34.231
1.00
44.97
C

ATOM
3116
O
TYR C
21
35.384
13.129
34.142
1.00
44.83
O

ATOM
3117
N
GLY C
22
33.581
13.689
35.391
1.00
44.74
N

ATOM
3118
CA
GLY C
22
34.258
13.512
36.637
1.00
45.59
C

ATOM
3119
C
GLY C
22
33.813
12.230
37.291
1.00
46.88
C

ATOM
3120
O
GLY C
22
32.796
11.623
36.918
1.00
46.46
O

ATOM
3121
N
SER C
23
34.571
11.793
38.279
1.00
48.05
N

ATOM
3122
CA
SER C
23
34.136
10.626
38.994
1.00
50.45
C

ATOM
3123
CB
SER C
23
35.018
10.397
40.202
1.00
50.58
C

ATOM
3124
OG
SER C
23
34 .642
9.154
40.751
1.00
54.76
O

ATOM
3125
C
SER C
23
32.664
10.766
39.386
1.00
50.97
C

ATOM
3126
O
SER C
23
32.204
11.869
39.663
1.00
51.65
O

ATOM
3127
N
GLY C
24
31.919
9.669
39.347
1.00
52.08
N

ATOM
3128
CA
GLY C
24
30.492
9.670
39.690
1.00
52.62
C

ATOM
3129
C
GLY C
24
29.434
10.124
38.694
1.00
53.69
C

ATOM
3130
O
GLY C
24
28.351
9.556
38.679
1.00
54.76
O

ATOM
3131
N
GLU C
25
29.725
11.142
37.870
1 .00
54.18
N

ATOM
3132
CA
GLU C
25
28.785
11.686
36.855
1.00
53.74
C

ATOM
3133
CB
GLU C
25
29.398
12.837
36.017
1.00
53.04
C

ATOM
3134
CG
GLU C
25
30.539
13.640
36.650
1.00
54.55
C

ATOM
3135
CD
GLU C
25
30.639
15.106
36.177
1.00
59.28
C

ATOM
3136
OE1
GLU C
25
31.690
15.553
35.645
1.00
61.08
O

ATOM
3137
OE2
GLU C
25
29.659
15.859
36.371
1.00
62.63
O

ATOM
3138
C
GLU C
25
28.205
10.615
35.919
1.00
54.22
C

ATOM
3139
O
GLU C
25
28.670
9.470
35.872
1.00
54.27
O

ATOM
3143
N
ARG C
26
27.180
11.013
35.172
1.00
55.00
N

ATOM
3144
CA
ARG C
26
26.452
10.148
34.229
1.00
55.91
C

ATOM
3142
CB
ARG C
26
24.978
10.548
34.280
1.00
57.03
C

ATOM
3143
CG
ARG C
26
24.009
9.750
33.440
1.00
61.79
C

ATOM
3144
CD
ARG C
26
22.714
9.585
34.233
1.00
70.33
C

ATOM
3145
NE
ARG C
26
21.622
8.942
33.495
1.00
77.58
N

ATOM
3146
CZ
ARG C
26
21.442
7.615
33.369
1.00
82.23
C

ATOM
3147
NH1
ARG C
26
22.312
6.738
33.899
1.00
82.18
N

ATOM
3148
NH2
ARG C
26
20.380
7.153
32.688
1.00
83.63
N

ATOM
3149
C
ARG C
26
26.973
10.415
32.839
1.00
54.68
C

ATOM
3150
O
ARG C
26
27.194
11.579
32.490
1.00
54.96
O

ATOM
3151
N
VAL C
27
27.185
9.382
32.030
1.00
52.98
N

ATOM
3152
CA
VAL C
27
27.550
9 686
30.628
1.00
51.68
C

ATOM
3153
CB
VAL C
27
28.838
9.017
30.131
1.00
50.79
C

ATOM
3154
CG1
VAL C
27
28.929
9.042
28.586
1.00
48.86
C

ATOM
3155
CG2
VAL C
27
30.003
9.696
30.731
1.00
50.50
C

ATOM
3156
C
VAL C
27
26.415
9.271
29.762
1.00
51.52
C

ATOM
3157
O
VAL C
27
25.956
8.123
29.888
1.00
51.71
O

ATOM
3158
N
ALA C
28
25.964
10.196
28.902
1.00
50.84
N

ATOM
3159
CA
ALA C
28
24.737
9.991
28.105
1.00
50.02
C

ATOM
3160
CB
ALA C
28
23.482
10.517
28.865
1.00
49.24
C

ATOM
3161
C
ALA C
28
24.774
10.565
26.708
1.00
49.26
C

ATOM
3162
O
ALA C
28
25.387
11.636
26.447
1.00
49.46
O

ATOM
3163
N
GLY C
29
24.078
9.850
25.829
1.00
47.90
N

ATOM
3164
CA
GLY C
29
24.011
10.200
24.448
1.00
47.39
C

ATOM
3165
C
GLY C
29
22.993
9.374
23.708
1.00
47.49
C

ATOM
3166
O
GLY C
29
22.013
8.913
24.282
1.00
48.09
O

ATOM
3167
N
ARG C
30
23.241
9.212
22.418
1.00
47.50
N

ATOM
3168
CA
ARG C
30
22.377
8.531
21.507
1.00
48.20
C

ATOM
3169
CB
ARG C
30
21.515
9.573
20.780
1.00
48.63
C

ATOM
3170
CG
ARG C
30
20.186
10.023
21.463
1.00
49.48
C

Al OM
3171
CD
ARG C
30
19.953
11.554
21.411
1.00
51.20
C

ATOM
3172
NE
ARG C
30
20.489
12.149
20.190
1.00
54.87
N

ATOM
3173
CZ
ARG C
30
21.075
13.343
20.103
1.00
58.26
C

ATOM
3174
NH1
ARG C
30
21.201
14.120
21.184
1.00
61.61
N

ATOM
3175
NH2
ARG C
30
21.562
13.761
18.932
1.00
56.46
N

ATOM
3176
C
ARG C
30
23.271
7.785
20.504
1.00
49.22
C

ATOM
3177
O
ARG C
30
24.392
8.206
20.209
1.00
50.00
O

ATOM
3178
N
VAL C
31
22.821
6.642
19.997
1.00
50.31
N

ATOM
3179
CA
VAL C
31
23.464
6.074
18.813
1.00
50.61
C

ATOM
3180
CB
VAL C
31
23.715
4.614
18.912
1.00
49.93
C

ATOM
3181
CG1
VAL C
31
24.722
4.260
17.881
1.00
49.83
C

ATOM
3182
CG2
VAL C
31
24.285
4.302
20.232
1.00
48.37
C

ATOM
3183
C
VAL C
31
22.559
6.369
17.640
1.00
52.13
C

ATOM
3184
O
VAL C
31
21.355
6.164
17.701
1.00
51.23
O

ATOM
3185
N
ILE C
32
23.125
6.935
16.590
1.00
54.77
N

ATOM
3186
CA
ILE C
32
22.256
7.496
15.580
1.00
57.26
C

ATOM
3187
CB
ILE C
32
22.202
9.044
15.569
1.00
57.01
C

ATOM
3188
CG1
ILE C
32
21.923
9.605
16.989
1.00
55.35
C

ATOM
3189
CD1
ILE C
32
21.540
11.096
17.059
1.00
50.23
C

ATOM
3190
CG2
ILE C
32
21.144
9.493
14.544
1.00
57.10
C

ATOM
3191
C
ILE C
32
22.549
6.878
14.224
1.00
59.25
C

ATOM
3192
O
ILE C
32
23.689
6.971
13.686
1.00
59.63
O

ATOM
3193
N
VAL C
33
21.463
6.258
13.710
1.00
60.77
N

ATOM
3194
CA
VAL C
33
21.541
5.329
12.615
1.00
62.90
C

ATOM
3195
CB
VAL C
33
21.008
3.942
13.003
1.00
62.80
C

ATOM
3196
CG1
VAL C
33
21.601
2.882
12.087
1.00
64.18
C

ATOM
3197
CG2
VAL C
33
21.361
3.591
14.418
1.00
62.29
C

ATOM
3198
C
VAL C
33
20.715
5.853
11.478
1.00
64.71
C

ATOM
3199
O
VAL C
33
19.532
6.146
11.629
1.00
64.77
O

ATOM
3200
N
GLU C
34
21.367
5.996
10.335
1.00
67.71
N

ATOM
3201
CA
GLU C
34
20.700
6.427
9.125
1.00
70.37
C

ATOM
3202
CB
GLU C
34
21.073
7.846
8.790
1.00
70.04
C

ATOM
3203
CG
GLU C
34
20.576
8.787
9.839
1.00
71.68
C

ATOM
3204
CD
GLU C
34
19.889
9.991
9.244
1.00
75.42
C

ATOM
3205
OE1
GLU C
34
19.924
10.138
7.989
1.00
76.03
O

ATOM
3206
OE2
GLU C
34
19.306
10.778
10.030
1.00
75.08
O

ATOM
3207
C
GLU C
34
21.051
5.475
8.016
1.00
72.05
C

ATOM
3208
O
GLU C
34
22.138
4.872
8.034
1.00
72.02
O

ATOM
3209
N
VAL C
35
20.106
5.336
7.078
1.00
74.59
N

ATOM
3210
CA
VAL C
35
20.136
4.321
5.988
1.00
76.82
C

ATOM
3211
CB
VAL C
35
19.426
2.965
6.426
1.00
76.59
C

ATOM
3212
CG1
VAL C
35
18.488
2.408
5.351
1.00
75.94
C

ATOM
3213
CG2
VAL C
35
20.468
1.929
6.809
1.00
76.17
C

ATOM
3214
C
VAL C
35
19.641
4.849
4.605
1.00
78.41
C

ATOM
3215
O
VAL C
35
18.710
5.696
4.534
1.00
78.49
O

ATOM
3216
N
CYS C
36
20.270
4.346
3.529
1.00
80.11
N

ATOM
3217
CA
CYS C
36
19.890
4.681
2.131
1.00
81.59
C

ATOM
3218
CB
CYS C
36
21.081
5.193
1.311
1.00
81.79
C

ATOM
3219
SG
CYS C
36
21.168
7.008
1.503
1.00
84.12
S

ATOM
3220
C
CYS C
36
19.036
3.676
1.352
1.00
81.73
C

ATOM
3221
O
CYS C
36
18.489
4.017
0.293
1.00
81.19
C

ATOM
3222
N
GLU C
37
18.940
2.454
1.893
1.00
82.45
N

ATOM
3223
CA
GLU C
37
17.682
1.478
1.536
1.00
82.95
C

ATOM
3224
CB
GLU C
37
18.205
0.726
0.235
1.00
83.26
C

ATOM
3225
CG
GLU C
37
18.208
−0.796
0.360
1.00
83.42
C

ATOM
3226
CD
GLU C
37
19.596
−1.312
0.617
1.00
83.26
C

ATOM
3227
OE1
GLU C
37
19.909
−1.634
1.789
1.00
81.07
O

ATOM
3228
OE2
GLU C
37
20.388
−1.349
−0.362
1.00
83.07
O

ATOM
3229
C
GLU C
37
17.474
0.499
2.667
1.00
83.01
C

ATOM
3230
O
GLU C
37
18.325
−0.015
3.399
1.00
83.13
O

ATOM
3231
N
VAL C
38
16.153
0.310
2.791
1.00
82.80
N

ATOM
3232
CA
VAL C
38
15.460
−0.683
3.638
1.00
82.43
C

ATOM
3233
CB
VAL C
38
14.170
−1.225
2.866
1.00
82.37
C

ATOM
3234
CG1
VAL C
38
15.549
−2.117
1.655
1.00
83.13
C

ATOM
3235
CG2
VAL C
38
13.173
−1.941
3.792
1.00
81.46
C

ATOM
3236
C
VAL C
38
16.331
−1.833
4.230
1.00
82.52
C

ATOM
3237
O
VAL C
38
16.924
−2.627
3.477
1.00
82.90
O

ATOM
3238
N
THR C
39
16.379
−1.930
5.571
1.00
81.97
N

ATOM
3239
CA
THR C
39
17.199
−2.938
6.279
1.00
31.29
C

ATOM
3240
CB
THR C
39
18.474
−2.282
6.770
1.00
81.21
C

ATOM
3241
OG1
THR C
39
18.948
−1.378
5.758
1.00
80.61
O

ATOM
3242
CG2
THR C
39
19.532
−3.336
7.135
1.00
80.34
C

ATOM
3243
C
THR C
39
16.551
−3.576
7.518
1.00
81.42
C

ATOM
3244
O
THR C
39
15.840
−2.898
8.275
1.00
82.11
O

ATOM
3245
N
ARG C
40
16.835
−4.858
7.760
1.00
80.86
N

ATOM
3246
CA
ARG C
40
16.335
−5.541
8.968
1.00
80.09
C

ATOM
3247
CB
ARG C
40
15.752
−6.909
8.603
1.00
79.83
C

ATOM
3248
CG
ARG C
40
14.522
−7.257
9.400
1.00
81.03
C

ATOM
3249
CD
ARG C
40
13.555
−8.202
8.657
1.00
81.48
C

ATOM
3250
NE
ARG C
40
12.529
−8.729
9.569
1.00
80.92
N

ATOM
3251
CZ
ARG C
40
12.583
−9.935
10.144
1.00
80.35
C

ATOM
3252
NH1
ARG C
40
13.606
−10.751
9.890
1.00
81.18
N

ATOM
3253
NH2
ARG C
40
11.620
−10.333
10.970
1.00
78.18
N

ATOM
3254
C
ARG C
40
17.424
−5.660
10.065
1.00
79.20
C

ATOM
3255
O
ARG C
40
18.472
−6.278
9.827
1.00
79.63
O

ATOM
3256
N
VAL C
41
17.168
−5.105
11.260
1.00
77.03
N

ATOM
3257
CA
VAL C
41
18.180
−5.054
12.326
1.00
74.77
C

ATOM
3258
CB
VAL C
41
18.346
−3.622
12.826
1.00
74.92
C

ATOM
3259
CG1
VAL C
41
19.221
−3.581
14.090
1.00
74.58
C

ATOM
3260
CG2
VAL C
41
18.932
−2.762
11.715
1.00
74.79
C

ATOM
3261
C
VAL C
41
17.958
−5.959
13.532
1.00
73.69
C

ATOM
3262
O
VAL C
41
17.042
−5.757
14.325
1.00
73.53
O

ATOM
3263
N
LYS C
42
18.838
−6.937
13.695
1.00
72.60
N

ATOM
3264
CA
LYS C
42
18.734
−7.888
14.817
1.00
71.56
C

ATOM
3265
CB
LYS C
42
19.659
−9.108
14.586
1.00
71.52
C

ATOM
3266
CG
LYS C
42
19.871
−10.044
15.827
1.00
72.46
C

ATOM
3267
CD
LYS C
42
20.684
−11.334
15.521
1.00
71.90
C

ATOM
3268
CE
LYS C
42
19.802
−12.513
15.093
1.00
71.43
C

ATOM
3269
NZ
LYS C
42
20.607
−13.647
14.526
1.00
71.72
N

ATOM
3270
C
LYS C
42
18.933
−7.248
16.223
1.00
70.38
C

ATOM
3271
O
LYS C
42
18.282
−7.651
17.204
1.00
69.66
O

ATOM
3272
N
ALA C
43
19.817
−6.247
16.293
1.00
69.16
N

ATOM
3273
CA
ALA C
43
20.196
−5.587
17.548
1.00
67.46
C

ATOM
3274
CB
ALA C
43
20.973
−8.558
18.458
1.00
67.24
C

ATOM
3275
C
ALA C
43
21.022
−4.329
17.299
1.00
66.80
C

ATOM
3276
O
ALA C
43
21.814
−4.721
16.332
1.00
67.21
O

ATOM
3277
N
VAL C
44
20.829
−3.320
18.159
1.00
65.70
N

ATOM
3278
CA
VAL C
44
21.849
−2.237
18.374
1.00
64.19
C

ATOM
3279
CB
VAL C
44
21.333
−0.811
17.925
1.00
63.82
C

ATOM
3280
CG1
VAL C
44
22.041
0.313
18.620
1.00
63.42
C

ATOM
3281
CG2
VAL C
44
21.507
−0.648
16.450
1.00
62.70
C

ATOM
3282
C
VAL C
44
22.436
−2.299
19.820
1.00
63.52
C

ATOM
3283
O
VAL C
44
21.700
−2.099
20.809
1.00
63.37
O

ATOM
3284
N
ARG C
45
23.738
−2.623
19.932
1.00
62.65
N

ATOM
3285
CA
ARG C
45
24.430
−2.808
21.251
1.00
62.10
C

ATOM
3286
CB
ARG C
45
25.141
−4.174
21.341
1.00
62.63
C

ATOM
3287
CG
ARG C
45
24.369
−5.336
21.987
1.00
64.95
C

ATOM
3288
CD
ARG C
45
24.978
−6.699
21.568
1.00
68.67
C

ATOM
3289
NE
ARG C
45
25.324
−6.703
20.131
1.00
72.60
N

ATOM
3290
CZ
ARG C
45
26.546
−6.927
19.628
1.00
72.51
C

ATOM
3291
NH1
ARG C
45
27.565
−7.225
20.430
1.00
70.72
N

ATOM
3292
NH2
ARG C
45
26.737
−6.880
18.304
1.00
72.66
N

ATOM
3293
C
ARG C
45
25.478
−1.739
21.510
1.00
60.35
C

ATOM
3294
O
ARG C
45
25.989
−1.137
20.570
1.00
60.22
C

ATOM
3295
N
ILE C
46
25.809
−1.537
22.778
1.00
58.58
N

ATOM
3296
CA
ILE C
46
26.993
−0.793
23.145
1.00
57.59
C

ATOM
3297
CB
ILE C
46
26.700
0.655
23.617
1.00
57.45
C

ATOM
3298
CG
ILE C
46
25.780
0.672
24.837
1.00
56.96
C

ATOM
3299
CD1
ILE C
46
25.939
1.933
25.649
1.00
54.85
C

ATOM
3300
CG2
ILE C
46
26.238
1.558
22.491
1.00
57.08
C

ATOM
3301
C
ILE C
46
27.805
−1.407
24.280
1.00
57.63
C

ATOM
3302
O
ILE C
46
27.280
−1.967
25.260
1.00
58.44
O

ATOM
3303
N
LEU C
47
29.111
−1.232
24.154
1.00
56.58
N

ATOM
3304
CA
LEU C
47
30.019
−1.422
25.276
1.00
54.45
C

ATOM
3305
CB
LEU C
47
30.908
−2.598
24.965
1.00
54.06
C

ATOM
3306
CG
LEU C
47
32.267
−2.680
25.599
1.00
55.67
C

ATOM
3307
CD1
LEU C
47
32.241
2.962
27.097
1.00
55.37
C

ATOM
3308
CD2
LEU C
47
33.002
−3.755
24.861
1.00
58.09
C

ATOM
3309
C
LEU C
47
30.805
−0.119
25.458
1.00
53.60
C

ATOM
3310
O
LEU C
47
31.172
0.555
24.475
1.00
52.48
O

ATOM
3311
N
ALA C
48
31.011
0.236
26.725
1.00
53.23
N

ATOM
3312
CA
ALA C
48
31.700
1.432
27.130
1.00
53.46
C

ATOM
3313
CB
ALA C
48
30.710
2.399
27.755
1.00
53.18
C

ATOM
3314
C
ALA C
48
32.805
1.092
28.116
1.00
53.83
C

ATOM
3315
O
ALA C
48
32.546
0.562
29.182
1.00
54.60
O

ATOM
3316
N
CYS C
49
34.043
1.414
27.796
1.00
54.03
N

ATOM
3317
CA
CYS C
49
35.122
1.031
28.698
1.00
54.96
C

ATOM
3318
CB
CYS C
49
36.090
0.050
28.028
1.00
55.82
C

ATOM
3319
SG
CYS C
49
35.204
−1.388
27.438
1.00
63.42
S

ATOM
3320
C
CYS C
49
35.917
2.175
29.156
1.00
53.97
C

ATOM
3321
O
CYS C
49
35.902
3.264
28.537
1.00
55.05
O

ATOM
3322
N
GLY C
50
36.640
1.911
30.232
1.00
52.34
N

ATOM
3323
CA
GLY C
50
37.665
2.810
30.715
1.00
51.76
C

ATOM
3324
C
GLY C
50
38.772
1.915
31.196
1.00
51.47
C

ATOM
3325
O
GLY C
50
38.555
0.978
31.978
1.00
51.25
O

ATOM
3326
N
VAL C
51
39.969
2.166
30.704
1.00
51.06
N

ATOM
3327
CA
VAL C
51
41.066
1.331
31.121
1.00
49.84
C

ATOM
3328
CB
VAL C
51
41.139
0.057
30.286
1.00
49.36
C

ATOM
3329
CG1
VAL C
51
40.946
0.389
28.868
1.00
48.39
C

ATOM
3330
CG2
VAL C
51
42.472
−0.637
30.542
1.00
48.57
C

ATOM
3331
C
VAL C
51
42.365
2.082
31.140
1.00
49.25
C

ATOM
3332
O
VAL C
51
42.584
2.936
30.327
1.00
49.22
O

ATOM
3333
N
ALA C
52
43.189
1.777
32.133
1.00
50.07
N

ATOM
3334
CA
ALA C
52
44.584
2.265
32.259
1.00
50.14
C

ATOM
3335
CB
ALA C
52
44.818
2.904
33.616
1.00
48.93
C

ATOM
3336
C
ALA C
52
45.613
1.170
32.016
1.00
50.32
C

ATOM
3337
O
ALA C
52
45.430
0.028
32.385
1.00
49.84
O

ATOM
3338
N
LYS C
53
40.680
1.535
31.335
1.00
52.12
N

ATOM
3339
CA
LYS C
53
47.858
0.684
31 .226
1.00
54.27
C

ATOM
3340
CB
LYS C
53
48.136
0.298
29.779
1.00
54.07
C

ATOM
3341
CG
LYS C
53
47.260
−0.772
29.291
1.00
55.87
C

ATOM
3342
CD
LYS C
53
46.798
−0.497
27.880
1.00
59.13
C

ATOM
3343
CE
LYS C
53
45.825
−1.590
27.424
1.00
61.21
C

ATOM
3344
NZ
LYS C
53
44.835
−1.004
26.454
1.00
63.09
N

ATOM
3345
C
LYS C
53
49.028
1.481
31.739
1.00
54.97
C

ATOM
3346
O
LYS C
53
49.391
2.475
31.136
1.00
56.22
O

ATOM
3347
N
VAL C
54
49.602
1.082
32.861
1.00
55.46
N

ATOM
3348
CA
VAL C
54
50.912
1.601
33.213
1.00
55.67
C

ATOM
3349
CB
VAL C
54
51.020
1.914
34.768
1.00
56.13
C

ATOM
3350
CG1
VAL C
54
52.076
2.972
34.938
1.00
56.04
C

ATOM
3351
CG2
VAL C
54
49.663
2.414
35.283
1.00
57.02
C

ATOM
3352
C
VAL C
54
51.985
0.590
32.731
1.00
55.38
C

ATOM
3353
O
VAL C
54
51.840
−0.620
32.893
1.00
56.02
O

ATOM
3354
N
LEU C
55
53.048
1.080
32.114
1.00
54.72
N

ATOM
3355
CA
LEU C
55
53.978
0.238
31.375
1.00
53.94
C

ATOM
3356
CB
LEU C
55
53.506
0.181
29.912
1.00
54.63
C

ATOM
3357
CG
LEU C
55
54.168
−0.775
28.907
1.00
57.13
C

ATOM
3358
CD1
LEU C
55
53.241
−2.010
28.526
1.00
59.14
C

ATOM
3359
CD2
LEU C
55
54.634
−0.023
27.647
1.00
57.35
C

ATOM
3360
C
LEU C
55
55.399
0.842
31.495
1.00
52.47
C

ATOM
3361
O
LEU C
55
55.561
2.065
31.349
1.00
52.56
O

ATOM
3362
N
TRP C
56
56.409
0.020
31.800
1.00
50.14
N

ATOM
3363
CA
TRP C
56
57.807
0.522
31.981
1.00
48.22
C

ATOM
3364
CB
TRP C
56
58.015
1.321
33.282
1.00
47.27
C

ATOM
3365
CG
TRP C
56
58.069
0.513
34.535
1.00
48.16
C

ATOM
3366
CD1
TRP C
56
59.182
0.126
35.181
1.00
47.10
C

ATOM
3367
NE1
TRP C
56
58.842
−0.598
36.312
1.00
48.88
N

ATOM
3368
CE2
TRP C
56
57.478
−0.688
36.410
1.00
46.72
C

ATOM
3369
CD2
TRP C
56
56.944
0.005
35.329
1.00
48.59
C

ATOM
3370
CE3
TRP C
56
55.558
0.030
35.185
1.00
49.39
C

ATOM
3371
CZ3
TRP C
56
54.769
−0.622
36.148
1.00
50.11
C

ATOM
3372
CH2
TRP C
56
55.336
−1.289
37.205
1.00
46.96
C

ATOM
3373
CZ2
TRP C
56
56.631
−1.323
37.365
1.00
47.41
C

ATOM
3374
C
TRP C
56
58.857
−0.558
31.840
1.00
47.18
C

ATOM
3375
O
TRP C
56
58.558
−1.734
31.927
1.00
46.72
O

ATOM
3376
N
MET C
57
60.080
−0.149
31.569
1.00
46.85
N

ATOM
3377
CA
MET C
57
61.196
−1.089
31.586
1.00
46.16
C

ATOM
3378
CB
MET C
57
62.215
−0.677
30.548
1.00
46.37
C

ATOM
3379
CG
MET C
57
61.677
−0.635
29.155
1.00
42.05
C

ATOM
3380
SD
MET C
57
61.057
−2.244
28.674
1.00
42.59
S

ATOM
3381
CE
MET C
57
62.344
−3.459
28.609
1.00
38.37
C

ATOM
3382
C
MET C
57
61.855
−1.096
32.947
1.00
45.84
C

ATOM
3383
O
MET C
57
61.945
−0.056
33.598
1.00
45.49
O

ATOM
3384
N
GLN C
58
62.260
−2.274
33.393
1.00
45.62
N

ATOM
3385
CA
GLN C
58
63.022
−2.408
34.613
1.00
46.63
C

ATOM
3386
CB
GLN C
58
62.240
−3.175
35.694
1.00
48.13
C

ATOM
3387
CG
GLN C
58
62.686
−2.928
37.184
1.00
53.10
C

ATOM
3388
CD
GLN C
58
62.076
−1.632
37.779
1.00
60.41
C

ATOM
3389
OE1
GLN C
58
60.852
−1.538
38.042
1.00
63.53
O

ATOM
3390
NE2
GLN C
58
62.929
−0.640
38.020
1.00
61.93
N

ATOM
3391
C
GLN C
58
64.153
−3.225
34.072
1.00
45.85
C

ATOM
3392
O
GLN C
58
64.027
−4.441
33.884
1.00
45.91
O

ATOM
3393
N
GLY C
59
65.240
−2.530
33.742
1.00
45.58
N

ATOM
3394
CA
GLY C
59
66.317
−3.102
32.985
1.00
44.83
C

ATOM
3395
C
GLY C
59
65.775
−3.769
31.755
1.00
45.66
C

ATOM
3396
O
GLY C
59
65.038
−3.176
30.978
1.00
45.61
O

ATOM
3397
N
SER C
60
66.135
−5.024
31.578
1.00
46.72
N

ATOM
3398
CA
SER C
60
65.921
−5.756
30.332
1.00
47.45
C

ATOM
3399
CB
SER C
60
66.816
−6.992
30.402
1.00
46.96
C

ATOM
3400
OG
SER C
60
66.356
−8.042
29.556
1.00
51.41
O

ATOM
3401
C
SER C
60
64.462
−6.159
30.084
1.00
47.85
C

ATOM
3402
O
SER C
60
64.128
−6.665
29.030
1.00
47.71
O

ATOM
3403
N
GLN C
61
63.604
−5.912
31.076
1.00
49.41
N

ATOM
3404
CA
GLN C
61
62.313
−6.578
31.257
1.00
50.11
C

ATOM
3405
CB
GLN C
61
62.424
−7.405
32.546
1.00
50.96
C

ATOM
3406
CG
GLN C
61
61.195
−8.228
32.930
1.00
56.54
C

ATOM
3407
CD
GLN C
61
61.340
−9.702
32.630
1.00
63.01
C

ATOM
3408
OE1
GLN C
61
60.477
−10.335
31.981
1.00
65.40
O

ATOM
3409
NE2
GLN C
61
62.470
−10.271
33.094
1.00
63.85
N

ATOM
3410
C
GLN C
61
61.212
−5.531
31.434
1.00
49.73
C

ATOM
3411
O
GLN C
61
61.387
−4.535
37.163
1.00
49.60
O

ATOM
3412
N
GLN C
62
60.067
−5.768
30.812
1.00
49.53
N

ATOM
3413
CA
GLN C
62
58.951
−4.821
30.871
1.00
49.21
C

ATOM
3414
CB
GLN C
62
58.224
−4.813
29.548
1.00
49.19
C

ATOM
3415
CG
GLN C
62
57.192
−3.745
29.418
1.00
53.09
C

ATOM
3416
CD
GLN C
62
56.507
−3.842
28.086
1.00
58.79
C

ATOM
3417
OE1
GLN C
62
56.476
−4.925
27.486
1.00
61.73
O

ATOM
3418
NE2
GLN C
62
55.987
−2.724
27.584
1.00
57.61
N

ATOM
3419
C
GLN C
62
57.980
−5.203
31.952
1.00
48.58
C

ATOM
3420
O
GLN C
62
57.730
−5.380
32.151
1.00
49.15
O

ATOM
3421
N
CYS C
63
57.425
−4.214
32.644
1.00
48.01
N

ATOM
3422
CA
CYS C
63
56.469
4.471
33.701
1.00
48.38
C

ATOM
3423
CB
CYS C
63
57.016
−4.067
35.089
1.00
48.34
C

ATOM
3424
SG
CYS C
63
58.576
−4.896
35.398
1.00
54.27
S

ATOM
3425
C
CYS C
63
55.234
−3.690
33.367
1.00
47.87
C

ATOM
3426
O
CYS C
63
55.306
−2.496
33.090
1.00
48.41
O

ATOM
3427
N
LYS C
64
54.093
−4.359
33.431
1.00
47.10
N

ATOM
3428
CA
LYS C
64
52.821
−3.748
33.069
1.00
47.10
C

ATOM
3429
CB
LYS C
64
52.368
−4.407
31.769
1.00
48.33
C

ATOM
3430
CG
LYS C
64
51.100
−3.875
31.159
1.00
52.63
C

ATOM
3431
CD
LYS C
64
50.796
−4.700
29.942
1.00
57.56
C

ATOM
3432
CE
LYS C
64
49.542
−4.179
29.251
1.00
61.76
C

ATOM
3433
NZ
LYS C
64
49.490
−4.717
27.930
1.00
64.92
N

ATOM
3434
C
LYS C
64
51.762
−3.937
34.158
1.00
45.24
C

ATOM
3435
O
LYS C
64
51.586
−5.039
34.625
1.00
44.63
O

ATOM
3436
N
GLN C
65
51.114
−2.859
34.596
1.00
44.14
N

ATOM
3437
CA
GLN C
65
49.840
−2.964
35.330
1.00
43.46
C

ATOM
3438
CB
GLN C
65
49.888
−2.184
36.532
1.00
43.01
C

ATOM
3439
CG
GLN C
65
48.650
−2.409
37.491
1.00
43.29
C

ATOM
3440
CD
GLN C
65
48.074
−1.658
38.824
1.00
42.89
C

ATOM
3441
OE1
GLN C
65
49.513
−0.818
39.044
1.00
45.08
O

ATOM
3442
NE2
GLN C
65
47.716
−1.949
39.691
1.00
37.89
N

ATOM
3443
C
GLN C
65
48.659
−2.470
34.472
1.00
43.52
C

ATOM
3444
O
GLN C
65
48.738
−1.378
33.865
1.00
42.72
O

ATOM
3445
N
THR C
66
47.579
−3.271
34.424
1.00
42.90
N

ATOM
3446
CA
THR C
66
46.335
−2.897
33.715
1.00
42.21
C

ATOM
3447
CB
THR C
66
45.956
−3.983
32.705
1.00
41.70
C

ATOM
3448
OG1
THR C
66
46.932
−4.059
31.661
1.00
43.99
O

ATOM
3449
CG2
THR C
66
44.671
−3.686
32.072
1.00
40.96
C

ATOM
3450
C
THR C
66
45.141
−2.622
34.698
1.00
42.66
C

ATOM
3451
O
THR C
66
44.869
−3.403
35.579
1.00
43.66
O

ATOM
3452
N
SER C
67
44.445
−1.511
34.568
1.00
42.47
N

ATOM
3453
CA
SER C
67
43.310
−1.262
35.396
1.00
43.17
C

ATOM
3454
CB
SER C
67
43.613
−0.089
36.236
1.00
41.95
C

ATOM
3455
OG
SER C
67
44.647
−0.428
37.053
1.00
43.75
O

ATOM
3456
C
SER C
67
42.031
−0.902
34.644
1.00
45.58
C

ATOM
3457
O
SER C
67
42.007
0.136
33.977
1.00
46.64
O

ATOM
3458
N
GLU C
68
40.955
−1.594
34.809
1.00
47.05
N

ATOM
3459
CA
GLU C
68
39.630
−1.345
34.289
1.00
48.39
C

ATOM
3460
CB
GLU C
68
38.795
−2.579
34.037
1.00
47.72
C

ATOM
3461
CG
GLU C
68
39.055
−3.164
32.716
1.00
49.07
C

ATOM
3462
CD
GLU C
68
38.175
−4.342
32.446
1.00
53.27
C

ATOM
3463
OE1
GLU C
68
36.979
−4.171
32.104
1.00
55.15
O

ATOM
3464
OE2
GLU C
68
38.700
−5.463
32.573
1.00
55.68
O

ATOM
3465
C
GLU C
68
38.905
−0.470
35.283
1.00
49.98
C

ATOM
3466
O
GLU C
68
38.798
−0.844
36.474
1.00
50.96
O

ATOM
3467
N
TYR C
69
38.428
0.695
34.819
1.00
50.78
N

ATOM
3468
CA
TYR C
69
37.596
1.569
35.666
1.00
50.93
C

ATOM
3469
CB
TYR C
69
38.043
3.000
35.612
1.00
50.40
C

ATOM
3470
CG
TYR C
69
39.355
3.126
36.249
1.00
50 .00
C

ATOM
3471
CD1
TYR C
69
40.523
2.933
33.518
1.00
50.03
C

ATOM
3472
CE1
TYR C
69
41.786
3.022
36.120
1.00
47.81
C

ATOM
3473
CZ
TYR C
69
41.844
3.262
37.468
1.00
47.36
C

ATOM
3474
OH
TYR C
69
43.007
3.322
38.073
1.00
49.68
O

ATOM
3475
CE2
TYR C
69
40.713
3.429
38.241
1.00
50.52
C

ATOM
3476
CD2
TYR C
69
39.454
3.362
37.614
1.00
51.90
C

ATOM
3477
C
TYR C
69
33.135
1.498
35.353
1.00
52.36
C

ATOM
3478
O
TYR C
69
35.327
1.958
36.175
1.00
52.91
O

ATOM
3479
N
LEU C
70
35.792
0.888
34.207
1.00
53.31
N

ATOM
3480
CA
LEU C
70
34.457
0.951
33.706
1.00
54.33
C

ATOM
3481
CB
LEU C
70
34.220
2.303
33.033
1.00
53.87
C

ATOM
3482
CG
LEU C
70
32.890
2.304
32.246
1.00
53.85
C

ATOM
3483
CD1
LEU C
70
31.647
2.385
33.216
1.00
53.57
C

ATOM
3484
CD2
LEU C
70
32.840
3.359
31.182
1.00
49.92
C

ATOM
3485
C
LEU C
70
34.185
−0.118
32.704
1.00
56.35
C

ATOM
3486
O
LEU C
70
34.473
0.050
31.547
1.00
57.55
O

ATOM
3487
N
ARG C
71
33.580
−1.209
33.132
1.00
59.53
N

ATOM
3488
CA
ARG C
71
33.131
−2.235
32.210
1.00
62.40
C

ATOM
3489
CB
ARG C
71
33.709
−3.603
32.501
1.00
61.41
C

ATOM
3490
CG
ARG C
71
33.572
−4.399
31.261
1.00
61.72
C

ATOM
3491
CD
ARG C
71
33.758
−5.805
31.510
1.00
62.30
C

ATOM
3492
NE
ARG C
71
34.929
−6.030
32.314
1.00
60.02
N

ATOM
3493
CZ
ARG C
71
34.987
−6.976
33.229
1.00
61.57
C

ATOM
3494
NH1
ARG C
71
33.939
−7.746
33.456
1.00
62.86
N

ATOM
3495
NH2
ARG C
71
36.062
−7.140
33.934
1.00
62.89
N

ATOM
3496
C
ARG C
71
31.613
−2.321
32.184
1.00
65..01
C

ATOM
3497
O
ARG C
71
30.965
−2.895
33.086
1.00
66.24
O

ATOM
3498
N
TYR C
72
31.254
−1.778
31.114
1.00
87.10
N

ATOM
3499
CA
TYR C
72
29.642
−1.477
31.066
1.00
68.54
C

ATOM
3500
CB
TYR C
72
29.441
0.058
31.291
1.00
68.97
C

ATOM
3501
CG
TYR C
72
27.997
0.463
31.149
1.00
71.00
C

ATOM
3502
CD1
TYR C
72
27.126
0.654
32.269
1.00
72.26
C

ATOM
3503
CE1
TYR C
72
25.819
0.959
32.089
1.00
74.59
C

ATOM
3504
CZ
TYR C
72
25.290
1.066
30.777
1.00
72.67
C

ATOM
3505
OH
TYR C
72
23.984
1.358
30.515
1.00
71.08
O

ATOM
3506
CE2
TYR C
72
26.084
0.868
29.694
1.00
72.89
C

ATOM
3507
CD2
TYR C
72
27.423
0.564
29.878
1.00
71.95
C

ATOM
3508
C
TYR C
72
29.198
−1.954
29.694
1.00
68.76
C

ATOM
3509
O
TYR C
72
29.708
−1.466
28.695
1.00
69.53
O

ATOM
3510
N
GLU C
73
28.314
−2.919
29.623
1.00
69.22
N

ATOM
3511
CA
GLU C
73
27.804
−3.423
28.312
1.00
69.26
C

ATOM
3512
CB
GLU C
73
28.214
−4.876
27.993
1.00
69.96
C

ATOM
3513
CG
GLU C
73
27.954
−5.304
26.487
1.00
73.17
C

ATOM
3514
CD
GLU C
73
28.956
−6.358
25.908
1.00
77.31
C

ATOM
3515
OE1
GLU C
73
29.755
7.020
26.653
1.00
76.90
O

ATOM
3516
OE2
GLU C
73
28.968
−6.504
24.664
1.00
78.85
O

ATOM
3517
C
GLU C
73
26.294
−3.260
28.323
1.00
68.35
C

ATOM
3518
O
GLU C
73
25.721
−3.021
29.383
1.00
68.47
O

ATOM
3519
N
ASP C
74
25.638
−3.327
27.161
1.00
67.16
N

ATOM
3520
CA
ASP C
74
24.178
−3.146
27.158
1.00
65.94
C

ATOM
3521
CB
ASP C
74
23.797
−1.874
27.932
1.00
66.23
C

ATOM
3522
CG
ASP C
74
22.320
−1.811
28.230
1.00
66.08
C

ATOM
3523
OD1
ASP C
74
21.593
−2.697
27.683
1.00
63.28
O

ATOM
3524
OD2
ASP C
74
21.910
−0.882
28.980
1.00
63.79
O

ATOM
3525
C
ASP C
74
23.554
−3.126
25.759
1.00
64.66
C

ATOM
3526
O
ASP C
74
24.257
−2.757
24.825
1.00
65.56
O

ATOM
3527
N
THR C
75
22.267
−3.537
25.648
1.00
62.22
N

ATOM
3528
CA
THR C
75
21.521
−3.494
24.352
1.00
60.05
C

ATOM
3529
CB
THR C
75
20.661
−4.721
24.954
1.00
59.92
C

ATOM
3530
OG1
THR C
75
21.253
−5.893
24.616
1.00
59.86
O

ATOM
3531
CG2
THR C
75
20.484
−4.867
22.547
1.00
59.61
C

ATOM
3532
C
THR C
75
20.511
−2.389
24.329
1.00
58.72
C

ATOM
3533
O
THR C
75
19.658
−2.318
25.207
1.00
58.22
O

ATOM
3534
N
LEU C
76
20.574
−1.571
23.285
1.00
57.09
N

ATOM
3535
CA
LEU C
76
19.689
−0.427
23.133
1.00
55.22
C

ATOM
3536
CB
LEU C
76
20.411
0.646
22.366
1.00
55.17
C

ATOM
3537
CG
LEU C
76
21.274
1.594
23.183
1.00
54.81
C

ATOM
3538
CD1
LEU C
76
21.937
0.961
24.418
1.00
53.46
C

ATOM
3539
CD2
LEU C
76
22.250
2.152
22.238
1.00
50.16
C

ATOM
3540
C
LEU C
76
18.360
−0.712
22.445
1.00
54.62
C

ATOM
3541
O
LEU C
76
18.288
−1.393
21.428
1.00
53.45
O

ATOM
3542
N
LEU C
77
17.318
−0.130
23.035
1.00
54.98
N

ATOM
3543
CA
LEU C
77
15.917
−0.243
22.608
1.00
54.70
C

ATOM
3544
CB
LEU C
77
15.053
−0.584
23. 834
1.00
54.75
C

ATOM
3545
CG
LEU C
77
14.583
−2.037
23.982
1.00
54.77
C

ATOM
3546
CD1
LEU C
77
13.224
−2.073
24.717
1.00
55.20
C

ATOM
3547
CD2
LEU C
77
14.495
−2.714
22.587
1.00
55.15
C

ATOM
3548
C
LEU C
77
15.378
1.057
22.047
1.00
53.92
C

ATOM
3549
O
LEU C
77
15.572
2.084
22.558
1.00
54.56
O

ATOM
3550
N
LEU C
78
14.681
1.018
20.926
1.00
53.61
N

ATOM
3551
CA
LEU C
78
13.972
2.201
20.448
1.00
53.92
C

ATOM
3552
CB
LEU C
78
13.830
2.223
18.918
1.00
54.06
C

ATOM
3553
CG
LEU C
78
14.097
3.535
18.126
1.00
56.30
C

ATOM
3554
CD1
LEU C
78
14.070
4.901
18.955
1.00
56.22
C

ATOM
3555
CD2
LEU C
78
15.396
3.443
17.322
1.00
55.39
C

ATOM
3556
C
LEU C
78
12.590
2.251
21.044
1.00
54.23
C

ATOM
3557
O
LEU C
78
11.953
1.198
21.284
1.00
54.65
O

ATOM
3558
N
GLU C
79
12.112
3.477
21.261
1.00
54.35
N

ATOM
3559
CA
GLU C
79
10.734
3.758
21.707
1.00
54.31
C

ATOM
3560
CB
GLU C
79
10.506
5.230
21.534
1.00
54.16
C

ATOM
3561
CG
GLU C
79
10.773
6.001
22.748
1.00
53.81
C

ATOM
3562
CD
GLU C
79
9.645
6.993
22.964
1.00
66.65
C

ATOM
3563
OE1
GLU C
79
9.606
8.046
22.231
1.00
67.69
O

ATOM
3564
OE2
GLU C
79
8.770
6.689
23.833
1.00
67.00
C

ATOM
3565
C
GLU C
79
9.620
3.000
20.939
1.00
53.23
C

ATOM
3566
O
GLU C
79
8.601
2.654
21.489
1.00
52.59
O

ATOM
3567
N
ASP C
80
9.833
2.763
19.655
1.00
52.85
N

ATOM
3568
CA
ASP C
80
8.857
2.081
18.828
1.00
52.69
C

ATOM
3569
CB
ASP C
80
9.006
2.569
17.376
1.00
52.69
C

ATOM
3570
CG
ASP C
80
7.697
2.489
16.578
1.00
53. 49
C

ATOM
3571
OD1
ASP C
80
6.584
2.547
17.174
1.00
52.19
O

ATOM
3572
OD2
ASP C
80
7.792
2.389
15.327
1.00
55.34
O

ATOM
3573
C
ASP C
80
8.971
0.535
18.906
1.00
52.27
C

ATOM
3574
O
ASP C
80
8.251
−0.163
18.211
1.00
51.05
O

ATOM
3575
N
GLN C
81
9.877
0.027
19.754
1.00
52.59
N

ATOM
3576
CA
GLN C
81
10.409
−1.427
19.979
1.00
52.60
C

ATOM
3577
CB
GLN C
81
11.623
−1.706
20.130
1.00
52.87
C

ATOM
3578
CG
GLN C
81
12.509
−1.806
18.867
1.00
55.34
C

ATOM
3579
CD
GLN C
8I
13.989
−2.210
19.223
1.00
50.23
C

ATOM
3580
OE1
GLN C
81
14.949
−1.457
18.953
1.00
55.97
O

ATOM
3581
NE2
GLN C
81
14.154
−3.407
19.843
1.00
61.16
N

ATOM
3582
C
GLN C
81
9.505
−1.852
21.310
1.00
51.44
C

ATOM
3583
O
GLN C
81
10.242
−2.284
22.186
1.00
51.41
O

ATOM
3584
N
PRO C
82
8.198
−1.717
21.500
1.00
50.60
N

ATOM
3585
CA
PRO C
82
7.745
−1.904
22.863
1.00
50.96
C

ATOM
3586
CB
PRO C
82
6.328
−1.380
22.814
1.00
50.70
C

ATOM
3587
CG
PRO C
82
5.889
−1.659
21.450
1.00
50.52
C

ATOM
3588
CD
PRO C
82
7.083
−1.445
20.591
1.00
50.97
C

ATOM
3589
C
PRO C
82
7.774
−3.366
23.358
1.00
51.60
C

ATOM
3590
O
PRO C
82
7.771
−3.617
24.563
1.00
51.41
O

ATOM
3591
N
THR C
83
7.851
−4.310
22.432
1.00
52.81
N

ATOM
3592
CA
THR C
83
7.948
−5.729
22.761
1.00
54.21
C

ATOM
3593
CB
THR C
83
7.397
−6.573
21.631
1.00
53.69
C

ATOM
3594
OG1
THR C
83
7.750
−5.932
20.393
1.00
53.97
O

ATOM
3595
CG2
THR C
83
5.875
−6.659
21.758
1.00
51.88
C

ATOM
3596
C
THR C
83
9.384
−6.120
23.019
1.00
55.28
C

ATOM
3597
O
THR C
83
9.724
−7.292
23.074
1.00
54.99
O

ATOM
3598
N
GLYC
84
10.228
−5.120
23.168
1.00
57.26
N

ATOM
3599
CA
GLY C
84
11.613
−5.343
23.502
1.00
60.55
C

ATOM
3600
C
GLY C
84
12.480
−5.913
22.403
1.00
63.20
C

ATOM
3601
O
GLY C
84
12.201
−5.797
21.192
1.00
63.02
O

ATOM
3602
N
GLU C
85
13.527
−6.586
22.861
1.00
66.43
N

ATOM
3603
CA
GLU C
85
14.759
−6.755
22.093
1.00
69.68
C

ATOM
3604
CB
GLU C
85
15.942
−6.383
22.998
1.00
69.84
C

ATOM
3605
CG
GLU C
85
15.921
−7.131
24.363
1.00
70.73
C

ATOM
3606
CD
GLU C
85
16.089
−6.193
25.532
1.00
70.07
C

ATOM
3607
OE1
GLU C
85
17.229
−6.118
26.022
1.00
71.35
O

ATOM
3608
OE2
GLU C
85
15.102
−5.528
25.942
1.00
68.22
O

ATOM
3609
C
GLU C
85
14.988
−8.140
21.466
1.00
71.92
C

ATOM
3610
O
GLU C
85
15.849
−8.276
20.573
1.00
72.28
O

ATOM
3611
N
ASN C
86
14.266
−9.176
21.928
1.00
74.98
N

ATOM
3612
CA
ASN C
86
14.200
−10.404
21.085
1.00
77.11
C

ATOM
3613
CB
ASN C
86
13.979
−11.703
21.861
1.00
77.50
C

ATOM
3614
CG
ASN C
86
15.232
−12.602
21.852
1.00
80.05
C

ATOM
3615
OD1
ASN C
86
15.363
13.509
22.684
1.00
83.36
O

ATOM
3616
ND2
ASN C
86
16.151
−12.351
20.909
1.00
80.91
N

ATOM
3617
C
ASN C
86
13.240
−10.234
19.922
1.00
77.71
C

ATOM
3618
O
ASN C
86
12.862
−11.213
19.262
1.00
77.77
O

ATOM
3619
N
GLU C
87
12.917
−8.956
19.670
1.00
78.47
N

ATOM
3620
CA
GLU C
87
12.096
−8.536
18.567
1.00
79.01
C

ATOM
3621
CB
GLU C
87
10.936
−7.750
19.115
1.00
78.99
C

ATOM
3622
CG
GLU C
87
10.491
−8.344
20.411
1.00
80.51
C

ATOM
3623
CD
GLU C
87
9.540
−9.502
20.199
1.00
83.50
C

ATOM
3624
OE1
GLU C
87
8.332
−9.193
20.141
1.00
84.85
O

ATOM
3625
OE2
GLU C
87
9.964
−10.690
20.078
1.00
83.44
O

ATOM
3626
C
GLU C
87
12.963
−7.668
17.690
1.00
79.12
C

ATOM
3627
O
GLU C
87
13.949
−7.074
18.160
1.00
79.06
O

ATOM
3628
N
MET C
88
12.564
−7.602
16.426
1.00
79.48
N

ATOM
3629
CA
MET C
88
13.382
−7.073
15.353
1.00
79.89
C

ATOM
3630
CB
MET C
88
13.642
−8.168
14.335
1.00
80.30
C

ATOM
3631
CG
MET C
88
14.894
−8.950
14.637
1.00
81.51
C

ATOM
3632
SD
MET C
88
15.727
−9.462
13.114
1.00
85.07
S

ATOM
3633
CE
MET C
88
15.387
−8.083
12.009
1.00
83.08
C

ATOM
3634
C
MET C
88
12.759
−5.899
14.645
1.00
79.64
C

ATOM
3635
O
MET C
88
11.536
−5.773
14.557
1.00
79.46
O

ATOM
3636
N
VAL C
89
13.637
−5.073
14.099
1.00
79.50
N

ATOM
3637
CA
VAL C
89
13.276
−3.774
13.558
1.00
79.70
C

ATOM
3638
CB
VAL C
89
14.072
−2.653
14.254
1.00
79.54
C

ATOM
3639
CG1
VAL C
89
15.264
−3.233
14.993
1.00
79.53
C

ATOM
3640
CG2
VAL C
89
14.511
−1.562
13.256
1.00
78.92
C

ATOM
3641
C
VAL C
89
13.476
−3.702
12.055
1.00
80.22
C

ATOM
3642
O
VAL C
89
14.063
−4.618
11.455
1.00
80.37
O

ATOM
3643
N
ILE C
90
13.014
−2.580
11.481
1.00
80.59
N

ATOM
3644
CA
ILE C
90
12.709
−2.420
10.046
1.00
80.82
C

ATOM
3645
CB
ILE C
90
11.190
−2.796
9.758
1.00
80.80
C

ATOM
3646
CG1
ILE C
90
11.029
−4.287
0.304
1.00
80.70
C

ATOM
3647
CD1
ILE C
90
11.116
−5.349
10.509
1.00
80.02
C

ATOM
3648
CG2
ILE C
90
10.568
−1.865
8.712
1.00
80.67
C

ATOM
3649
C
ILE C
90
13.026
−0.989
9.569
1.00
80.87
C

ATOM
3650
O
ILE C
90
12.193
−0.082
9.703
1.00
80.49
O

ATOM
3651
N
MET C
91
14.222
−0.803
8.997
1.00
81.34
N

ATOM
3652
CA
MET C
91
14.760
0.550
8.736
1.00
81.80
C

ATOM
3653
CB
MET C
91
16.181
0.711
9.389
1.00
82.08
C

ATOM
3654
CG
MET C
91
16.163
1.310
10.852
1.00
82.64
C

ATOM
3655
SD
MET C
91
17.730
1.871
11.641
1.00
82.34
S

ATOM
3656
CE
MET C
91
18.552
0.308
11.852
1.00
80.42
C

ATOM
3657
C
MET C
91
14.749
1.106
7.282
1.00
82.06
C

ATOM
3658
O
MET C
91
15.641
0.843
6.451
1.00
81.97
O

ATOM
3659
N
ARG C
92
13.715
1.902
7.015
1.00
82.29
N

ATOM
3660
CA
ARG C
92
13.558
2.620
5.749
1.00
82.63
C

ATOM
3661
CB
ARG C
92
12.055
2.877
5.428
1.00
83.18
C

ATOM
3662
CG
ARG C
92
11.357
4.122
6.092
1.00
84.36
C

ATOM
3663
CD
ARG C
92
9.907
3.819
6.612
1.00
86.30
C

ATOM
3664
NE
ARG C
92
9.020
3.184
5.615
1.00
88.83
N

ATOM
3665
CZ
ARG C
92
8.658
1.889
5.599
1.00
88.50
C

ATOM
3666
NH1
ARG C
92
9.107
1.048
6.532
1.00
87.95
N

ATOM
3667
NH2
ARG C
92
7.839
1.428
4.642
1.00
86.82
N

ATOM
3668
C
ARG C
92
14.341
3.928
5.788
1.00
82.13
C

ATOM
3669
O
ARG C
92
14.524
4.503
6.873
1.00
82.14
O

ATOM
3670
N
PRO C
93
14.829
4.390
4.614
1.00
81.70
N

ATOM
3671
CA
PRO C
93
15.481
5.716
4.468
1.00
81.23
C

ATOM
3672
CB
PRO C
93
15.684
5.833
2.949
1.00
81.06
C

ATOM
3673
CG
PRO C
93
15.865
4.414
2.504
1.00
81.00
C

ATOM
3674
CD
PRO C
93
14.876
3.624
3.349
1.00
81.53
C

ATOM
3675
C
PRO C
93
14.685
6.913
5.014
1.00
80.54
C

ATOM
3676
O
PRO C
93
13.553
6.750
5.461
1.00
80.70
O

ATOM
3677
N
GLY C
94
15.301
8.091
5.021
1.00
79.83
N

ATOM
3678
CA
GLY C
94
14.580
9.339
5.284
1.00
78.56
C

ATOM
3679
C
GLY C
94
14.190
9.756
6.704
1.00
78.03
C

ATOM
3680
O
GLY C
94
13.670
10.869
6.864
1.00
77.91
O

ATOM
3681
N
ASN C
95
14.395
8.904
7.727
1.00
77.07
N

ATOM
3682
CA
ASN C
95
14.225
9.346
9.161
1.00
76.43
C

ATOM
3683
CB
ASN C
95
12.881
8.917
9.796
1.00
76.59
C

ATOM
3684
CG
ASN C
95
11.681
9.174
8.889
1.00
76.62
C

ATOM
3685
OD1
ASN C
95
10.830
10.029
9.187
1.00
77.19
O

ATOM
3686
ND2
ASN C
95
11.608
8.433
7.776
1.00
73.77
N

ATOM
3687
C
ASN C
95
15.357
8.913
10.087
1.00
75.45
C

ATOM
3688
O
ASN C
95
15.950
7.843
9.902
1.00
75.76
O

ATOM
3689
N
LYS C
96
15.651
9.728
11.096
1.00
73.93
N

ATOM
3690
CA
LYS C
96
16.826
9.450
11.948
1.00
72.12
C

ATOM
3691
CB
LYS C
96
17.485
10.750
12.460
1.00
72.08
C

ATOM
3692
CG
LYS C
96
16.796
12.083
12.046
1.00
72.68
C

ATOM
3693
CD
LYS C
96
17.592
13.369
12.441
1.00
73.01
C

ATOM
3694
CE
LYS C
96
19.133
13.332
12.111
1.00
73.76
C

ATOM
3695
NZ
LYS C
96
19.512
13.481
10.648
1.00
72.53
N

ATOM
3696
C
LYS C
96
16.471
8.491
13.097
1.00
70.62
C

ATOM
3697
O
LYS C
96
15.564
8.786
13.885
1.00
70.66
O

ATOM
3698
N
TYR C
97
17.158
7.349
13.169
1.00
68.25
N

ATOM
3699
CA
TYR C
97
16.933
6.378
14.248
1.00
66.85
C

ATOM
3700
CB
TYR C
97
16.967
4.918
13.739
1.00
67.68
C

ATOM
3701
CG
TYR C
97
16.108
4.724
12.513
1.00
71.85
C

ATOM
3702
CD1
TYR C
97
14.705
4.644
12.613
1.00
74.20
C

ATOM
3703
CE1
TYR C
97
13.896
4.510
11.457
1.00
75.34
C

ATOM
3704
CZ
TYR C
97
14.493
4.455
10.186
1.00
76.48
C

ATOM
3705
OH
TYR C
97
13.709
4.813
9.052
1.00
78.11
O

ATOM.
3706
CE2
TYR C
97
15.878
4.541
10.056
1.00
74.86
C

ATOM
3707
CD2
TYR C
97
16.682
4.692
11.226
1.00
74.57
C

ATOM
3708
C
TYR C
97
17.878
6.607
15.437
1.00
64.68
C

ATOM
3709
O
TYR C
97
19.090
6.487
15.349
1.00
64.07
O

ATOM
3710
N
GLU C
98
17.277
6.957
16.560
1.00
62.78
N

ATOM
3711
CA
GLU C
98
18.000
7.387
17.730
1.00
60.61
C

ATOM
3712
CB
GLU C
98
17.531
8.761
18.130
1.00
60.09
C

ATOM
3713
CG
GLU C
98
17.759
9.802
17.074
1.00
61.12
C

ATOM
3714
CD
GLU C
98
17.327
11.161
17.585
1.00
65.82
C

ATOM
3715
OE1
GLU C
98
16.503
11.212
18.531
1.00
64.15
O

ATOM
3716
OE2
GLU C
98
17.826
12.192
17.072
1.00
69.28
O

ATOM
3717
C
GLU C
98
17.800
6.423
18.878
1.00
59.04
C

ATOM
3718
O
GLU C
98
16.730
6.331
19.421
1.00
58.95
O

ATOM
3719
N
TYR C
99
18.862
5.716
19.238
1.00
57.27
N

ATOM
3720
CA
TYR C
99
18.894
4.831
20.377
1.00
55.39
C

ATOM
3721
CB
TYR C
99
19.792
3.600
19.998
1.00
55.11
C

ATOM
3722
CG
TYR C
99
19.170
2.720
19.067
1.00
55.94
C

ATOM
3723
CD1
TYR C
99
18.546
1.586
19.579
1.00
57.31
C

ATOM
3724
CE1
TYR C
99
17.965
0.665
18.760
1.00
57.28
C

ATOM
3725
CZ
TYR C
99
17.985
0.857
17.396
1.00
56.39
C

ATOM
3726
OH
TYR C
99
17.385
−0.134
16.664
1.00
57.55
O

ATOM
3727
CE2
TYR C
99
18.607
1.971
16.827
1.00
54.18
C

ATOM
3728
CD2
TYR C
99
19.196
2.906
17.671
1.00
55.16
C

ATOM
3729
C
TYR C
99
19.495
5.524
21.606
1.00
54.25
C

ATOM
3730
O
TYR C
99
20.652
5.892
21.608
1.00
54.72
O

ATOM
3731
N
LYS C
100
18.747
5.686
22.674
1.00
53.19
N

ATOM
3732
CA
LYS C
100
19.309
6.397
23.838
1.00
52.49
C

ATOM
3733
CB
LYS C
100
18.215
7.073
24.667
1.00
52.53
C

ATOM
3734
CG
LYS C
100
17.797
8.401
24.107
1.00
55.32
C

ATOM
3735
CD
LYS C
100
16.296
8.581
24.334
1.00
62.11
C

ATOM
3736
CE
LYS C
100
16.021
9.349
25.633
1.00
65.31
C

ATOM
3737
NZ
LYS C
100
14.630
9.853
25.612
1.00
66.70
N

ATOM
3738
C
LYS C
100
20.141
5.510
24.742
1.00
50.93
C

ATOM
3739
O
LYS C
100
19.794
4.344
24.936
1.00
49.91
O

ATOM
3740
N
PHE C
101
21.229
6.057
25.302
1.00
49.62
N

ATOM
3741
CA
PHE C
101
22.022
5.292
26.260
1.00
48.44
C

ATOM
3742
CB
PHE C
101
23.204
4.593
25.589
1.00
47.38
C

ATOM
3743
CG
PHE C
101
24.250
5.524
25.150
1.00
44.17
C

ATOM
3744
CD1
PHE C
101
25.228
5.961
26.050
1.00
41.16
C

ATOM
3745
CE1
PHE C
101
26.251
6.847
25.542
1.00
40.96
C

ATOM
3746
CZ
PHE C
101
26.290
7.335
24.309
1.00
39.99
C

ATOM
3747
CE2
PHE C
101
25.314
5.889
23.387
1.00
42.01
C

ATOM
3748
CD2
PHE C
101
24.298
5.985
23.387
1.00
42.01
C

ATOM
3749
C
PHE C
101
22.554
6.177
27.328
1.00
48.92
C

ATOM
3750
O
PHE C
101
22.805
7.354
27.099
1.00
48.40
O

ATOM
3751
N
GLY C
102
22.765
5.582
28.486
1.00
49.57
N

ATOM
3752
CA
GLY C
102
23.326
6.247
29.648
1.00
50.95
C

ATOM
3753
C
GLY C
102
24.038
5.281
30.585
1.00
52.08
C

ATOM
3754
O
GLY C
102
23.835
4.063
30.519
1.00
52.41
O

ATOM
3255
N
PHE C
103
24.932
5.822
31.410
1.00
52.93
N

ATOM
3756
CA
PHE C
103
25.570
5.077
32.523
1.00
53.21
C

ATOM
3757
CB
PHE C
103
26.489
4.007
32.017
1.00
51.32
C

ATOM
3758
CG
PHE C
103
27.437
4.517
31.014
1.00
50.46
C

ATOM
3759
CD1
PHE C
103
28.617
5.176
31.422
1.00
46.74
C

ATOM
3760
CE1
PHE C
103
29.468
5.697
30.479
1.00
43.59
C

ATOM
3761
CZ
PHE C
103
29.161
5.566
29.117
1.00
42.34
C

ATOM
3762
CE2
PHE C
103
28.007
4.961
28 .705
1.00
39.94
C

ATOM
3763
CD2
PHE C
103
27.139
4.433
29.650
1.00
45.32
C

ATOM
3764
C
PHE C
103
26.346
6.006
33.181
1.00
54.70
C

ATOM
3765
O
PHE C
103
26.655
7.230
32.981
1.00
53.72
O

ATOM
3766
N
GLU C
104
26.648
5.609
34.580
1.00
57.09
N

ATOM
3767
CA
GLU C
104
27.466
6.434
35.430
1.00
59.43
C

ATOM
3768
CB
GLU C
104
26.876
6.570
36.813
1.00
60.21
C

ATOM
3769
CG
GLU C
104
25.475
7.221
36.787
1.00
64.49
C

ATOM
3770
CD
GLU C
104
24.787
7.157
38.150
l.00
69.78
C

ATOM
3771
OE1
GLU C
104
25.523
7.190
39.196
1.00
72.47
O

ATOM
3772
OE2
GLU C
104
23.527
7.053
38.167
1.00
69.52
O

ATOM
3773
C
GLU C
104
28.887
5.904
35.491
1.00
59.67
C

ATOM
3774
O
GLU C
104
29.224
4.797
35.254
1.00
59.67
O

ATOM
3775
N
LEU C
105
29.737
6.923
35.777
1.00
60.38
N

ATOM
3776
CA
LEU C
105
31.082
6.597
36.083
1.00
60.93
C

ATOM
3777
CB
LEU C
105
31.972
7.808
35.830
1.00
60.25
C

ATOM
3778
CG
LEU C
105
31.996
8.164
34.339
1.00
57.95
C

ATOM
3779
CD1
LEU C
105
32.873
9.364
34.098
1.00
54.30
C

ATOM
3780
CD2
LEU C
105
32.455
6.937
33.556
1.00
55.41
C

ATOM
3781
C
LEU C
105
31.109
6.129
37.547
1.00
62.50
C

ATOM
3782
O
LEU C
105
30.470
6.754
38.441
1.00
61.79
O

ATOM
3783
N
PRO C
106
31.836
5.024
37.778
1.00
63.83
N

ATOM
3784
CA
PRO C
106
32.108
4.484
39.089
1.00
64.61
C

ATOM
3785
CB
PRO C
106
33.266
3.485
38.850
1.00
64. 87
C

ATOM
3786
CG
PRO C
106
33.111
3.031
37.476
1.00
65.07
C

ATOM
3787
CD
PRO C
106
32.516
4.247
36.721
1.00
64.58
C

ATOM
3788
C
PRO C
106
32.569
5.570
40.034
1.00
64.85
C

ATOM
3789
O
PRO C
106
32.935
6.884
39.626
1.00
63.83
O

ATOM
3790
N
GLN C
107
32.556
5.178
41.298
1.00
66.15
N

ATOM
3791
CA
GLN C
107
32.639
6.061
42.243
1.00
67.65
C

ATOM
3792
CB
GLN C
107
32.193
5.323
43.694
1.00
67.88
C

ATOM
3793
CG
GLN C
107
30.787
5.704
44.065
1.00
70.88
C

ATOM
3794
CD
GLN C
107
30.517
7.164
43.656
1.00
74.97
C

ATOM
3795
OE1
GLN C
107
31.366
8.036
43.877
1.00
76.74
O

ATOM
3796
NE2
GLN C
107
29.363
7.423
43.010
1.00
74.96
N

ATOM
3797
C
GLN C
107
34.007
6.595
42.641
1.00
68.31
C

ATOM
3798
O
GLN C
107
34.152
7.763
43.025
1.00
68.16
O

ATOM
3799
N
GLY C
108
34.986
5.738
42.365
1.00
68.68
N

ATOM
3800
CA
GLY C
108
36.241
5.795
43.071
1.00
70.32
C

ATOM
3801
C
GLY C
108
37.159
6.791
42.447
1.00
70.91
C

ATOM
3802
O
GLY C
108
36.739
7.847
42.041
1.00
71.41
O

ATOM
3803
N
PRO C
109
38.435
6.448
42.376
1.00
71.38
N

ATOM
3804
CA
PRO C
109
39.366
7.224
41.593
1.00
71.30
C

ATOM
3805
CB
PRO C
109
40.675
6.985
42.327
1.00
71.48
C

ATOM
3806
CG
PRO C
109
40.553
5.521
42.801
1.00
71.54
C

ATOM
3807
CD
PRO C
109
39.064
5.283
43.041
1.00
71.54
C

ATOM
3808
C
PRO C
109
39.428
6.616
40.192
1.00
71.67
C

ATOM
3809
O
PRO C
109
39.608
5.401
40.044
1.00
72.36
O

ATOM
3810
N
LEU C
110
39.273
7.435
39.164
1.00
71.44
N

ATOM
3811
CA
LEU C
110
39.367
6.957
37.786
1.00
71.16
C

ATOM
3812
CB
LEU C
110
38.278
7.610
36.984
1.00
70.57
C

ATOM
3813
CG
LEU C
110
36.962
7.742
37.746
1.00
69.24
C

ATOM
3814
CD1
LEU C
110
35.924
8.200
36.768
1.00
66.33
C

ATOM
3815
CD2
LEU C
110
36.525
6.446
38.464
1.00
69.61
C

ATOM
3816
C
LEU C
110
40.746
7.276
37.184
1.00
72.11
C

ATOM
3817
O
LEU C
110
41.407
8.230
37.617
1.00
73.89
O

ATOM
3818
N
GLY C
111
41.200
6.525
36.182
1.00
71.40
N

ATOM
3819
CA
GLY C
111
42.634
6.603
35.803
1.00
70.36
C

ATOM
3820
C
GLY C
111
43.135
8.008
35.442
1.00
69.70
C

ATOM
3821
O
GLY C
111
44.350
8.316
35.541
1.00
71.10
O

ATOM
3822
N
THR C
112
42.184
8.838
35.011
1.00
67.54
N

ATOM
3823
CA
THR C
112
42.359
10.227
34.515
1.00
64.72
C

ATOM
3824
CB
THR C
112
42.902
11.180
35.606
1.00
60.42
C

ATOM
3825
OG1
THR C
112
43.638
12.255
34.990
1.00
52.98
O

ATOM
3826
CG2
THR C
112
43.814
10.459
36.588
1.00
57.22
C

ATOM
3827
C
THR C
112
43.002
10.546
33.119
1.00
67.58
C

ATOM
3828
O
THR C
112
44.123
11.091
33.077
1.00
68.92
O

ATOM
3829
N
SER C
113
42.270
10.271
32.010
1.00
69.02
N

ATOM
3830
CA
SER C
113
42.717
10.535
30.605
1.00
70.72
C

ATOM
3831
CB
SER C
113
41.625
11.315
29.837
1.00
71.14
C

ATOM
3832
OG
SER C
113
40.533
10.463
29.460
1.00
68.29
O

ATOM
3833
C
SER C
113
44.147
11.127
30.395
1.00
72.20
C

ATOM
3834
O
SER C
113
44.402
12.285
30.747
1.00
72.69
O

ATOM
3835
N
PHE C
114
45.048
10.312
29.808
1.00
73.66
N

ATOM
3836
CA
PHE C
114
46.531
10.455
29.881
1.00
75.31
C

ATOM
3837
CB
PHE C
114
47.046
9.634
31.118
1.00
75.99
C

ATOM
3838
CG
PHE C
114
48.491
9.925
31.612
1.00
77.50
C

ATOM
3839
CD1
PHE C
114
49.615
9.764
30.789
1.00
79.29
C

ATOM
3840
CE1
PHE C
114
50.059
9.992
31.294
1.00
79.68
C

ATOM
3841
CZ
PHE C
114
51.166
10.336
32.646
1.00
79.73
C

ATOM
3842
CE2
PHE C
114
50.048
10.452
33.499
1.00
78.82
C

ATOM
3843
CD2
PHE C
114
48.714
10.224
32.975
1.00
79.21
C

ATOM
3844
C
PHE C
114
46.994
9.816
28.567
1.00
75.64
C

ATOM
3845
O
PHE C
114
46.277
9.006
27.983
1.00
75.61
O

ATOM
3846
N
LYS C
115
46.173
10.194
28.084
1.00
76.50
N

ATOM
3847
CA
LYS C
115
48.884
9.492
26.997
1.00
76.75
C

ATOM
3848
CB
LYS C
115
48.325
9.828
25.614
1.00
76.52
C

ATOM
3849
CG
LYS C
115
47.398
8.789
25.070
1.00
77.93
C

ATOM
3850
CD
LYS C
115
47.149
9.078
23.624
1.00
81.30
C

ATOM
3851
CE
LYS C
115
47.675
7.948
22.776
1.00
83.69
C

ATOM
3852
NZ
LYS C
115
48.696
8.498
21.834
1.00
84.76
N

ATOM
3853
C
LYS C
115
50.294
9.992
27.110
1.00
76.44
C

ATOM
3854
O
LYS C
115
50.740
10.754
26.278
1.00
77.13
O

ATOM
3855
N
GLY C
116
50.975
9.572
28.167
1.00
76.50
N

ATOM
3856
CA
GLY C
116
52.252
10.175
28.587
1.00
75.56
C

ATOM
3857
C
GLY C
116
53.353
9.145
28.772
1.00
74.62
C

ATOM
3858
O
GLY C
116
53.466
8.189
27.977
1.00
74.69
O

ATOM
3859
N
LYS C
117
54.176
9.319
29.806
1.00
73.15
N

ATOM
3860
CA
LYS C
117
55.423
8.567
29.780
1.00
71 .10
C

ATOM
3861
CB
LYS C
117
56.478
9.144
30.733
1.00
71.95
C

ATOM
3862
CG
LYS C
117
57.909
9.040
30.143
1.00
72.74
C

ATOM
3863
CD
LYS C
117
58.992
8.848
31.206
1.00
75.34
C

ATOM
3864
CE
LYS C
117
59.295
10.144
31.985
1.00
77.68
C

ATOM
3865
NZ
LYS C
117
60.769
10.272
32.326
1.00
79.77
N

ATOM
3866
C
LYS C
117
55.192
7.061
29.966
1.00
69.00
C

ATOM
3867
O
LYS C
117
55.496
6.253
29.064
1.00
68.15
O

ATOM
3868
N
TYR C
118
54.609
6.681
31.092
1.00
66.25
N

ATOM
3869
CA
TYR C
118
54.375
5.260
31.300
1.00
64.60
C

ATOM
3870
CB
TYR C
118
54.825
4.872
32.686
1.00
63.86
C

ATOM
3871
CG
TYR C
118
56.153
5.465
33.088
1.00
61.09
C

ATOM
3872
CD1
TYR C
118
57.332
4.805
32.827
1.00
60.77
C

ATOM
3873
CE1
TYR C
118
58.552
5.339
33.229
1.00
62.59
C

ATOM
3874
CZ
TYR C
118
58.569
6.544
33.903
1.00
61.30
C

ATOM
3875
OH
TYR C
118
59.760
7.079
34.302
1.00
63.79
O

ATOM
3876
CE2
TYR C
118
57.407
7.210
34.171
1.00
58.58
C

ATOM
3877
CD2
TYR C
118
56.217
6.674
33.760
1.00
59.77
C

ATOM
3878
C
TYR C
118
52.952
4.782
30.990
1.00
63.95
C

ATOM
3879
O
TYR C
118
52.330
4.089
31.747
1.00
63.02
O

ATOM
3880
N
GLY C
119
52.455
5.180
29.832
1.00
64.94
N

ATOM
3381
CA
GLY C
119
51.171
4.712
29.318
1.00
64.90
C

ATOM
3882
C
GLY C
119
49.999
5.659
29.442
1.00
64.79
C

ATOM
3883
O
GLY C
119
50.143
6.853
29.765
1.00
64.88
O

ATOM
3884
N
CYS C
120
48.819
5.086
29.226
1.00
64.30
N

ATOM
3885
CA
CYS C
120
47.592
5.862
28.997
1.00
63.51
C

ATOM
3886
CB
CYS C
120
47.295
5.787
27.520
1.00
64.05
C

ATOM
3887
SG
CYS C
120
47.729
4.172
27.035
1.00
66.89
S

ATOM
3888
C
CYS C
120
46.352
5.384
29.714
1.00
61.75
C

ATOM
3889
O
CYS C
120
46.345
4.343
30.358
1.00
62.02
O

ATOM
3890
N
VAL C
121
45.293
6.164
29.566
1.00
59.81
N

ATOM
3891
CA
VAL C
121
43.984
5.830
30.097
1.00
58.13
C

ATOM
3892
CB
VAL C
121
43.655
6.693
31.313
1.00
58.51
C

ATOM
3893
CG1
VAL C
121
42.387
6.211
31.917
1.00
58.28
C

ATOM
3894
CG2
VAL C
121
44.790
6.678
32.341
1.00
58.83
C

ATOM
3895
C
VAL C
121
42.985
6.239
29.051
1.00
56.78
C

ATOM
3896
O
VAL C
121
42.912
7.440
28.748
1.00
57.99
O

ATOM
3897
N
ASP C
122
42.211
5.308
28.494
1.00
54.23
N

ATOM
3898
CA
ASP C
122
41.167
5.688
27.537
1.00
52.37
C

ATOM
3899
CB
ASP C
122
41.447
5.125
26.150
1.00
53.50
C

ATOM
3900
CG
ASP C
122
42.889
4.853
25.951
1.00
58.27
C

ATOM
3901
OD1
ASP C
122
43.371
3.783
26.443
1.00
62.91
O

ATOM
3902
OD2
ASP C
122
43.566
5.740
25.381
1.00
61.37
O

ATOM
3903
C
ASP C
122
39.800
5.224
27.980
1.00
50.57
C

ATOM
3904
O
ASP C
122
39.644
4.102
28.509
1.00
50.09
O

ATOM
3905
N
TYR C
123
38.822
6.110
27.774
1.00
47.73
N

ATOM
3906
CA
TYR C
123
37.434
5.793
27.905
1.00
45.25
C

ATOM
3907
CB
TYR C
123
36.796
6.683
28.947
1.00
45.06
C

ATOM
3908
CG
TYR C
123
37.291
6.549
30.379
1.00
45.34
C

ATOM
3909
CD1
TYR C
123
36.482
5.987
31.346
1.00
46.89
O

ATOM
3910
CE1
TYR C
123
36.885
5.885
32.698
1.00
47.45
C

ATOM
3911
CZ
TYR C
123
36.098
6.334
33.061
1.00
48.35
C

ATOM
3912
OH
TYR C
123
38.441
6.176
34.416
1.00
49.81
O

ATOM
3913
CE2
TYR C
123
38.955
6.939
32.133
1.00
46.77
C

ATOM
3914
CD2
TYR C
123
38.541
7.040
30.792
1.00
46.41
C

ATOM
3915
C
TYR C
123
36.844
6.108
26.539
1.00
44.64
C

ATOM
3916
O
TYR C
123
37.243
7.087
25.875
1.00
42.85
O

ATOM
3917
N
TRP C
124
35.899
5.263
26.127
1.00
43.75
N

ATOM
3918
CA
TRP C
124
35.227
5.371
24.843
1.00
43.34
C

ATOM
3919
CB
TRP C
124
36.105
4.814
23.714
1.00
43.22
C

ATOM
3920
CG
TRP C
124
36.821
3.513
24.072
1.00
48.58
C

ATOM
3921
CD1
TRP C
124
38.099
3.412
24.467
1.00
50.75
C

ATOM
3922
NE1
TRP C
124
38.422
2.117
24.747
1.00
50.01
N

ATOM
3923
CE2
TRP C
124
37.353
1.316
24.527
1.00
49.87
C

ATOM
3924
CD2
TRP C
124
36.297
2.154
24.109
1.00
51.73
C

ATOM
3925
CE3
TRP C
124
30.051
1.572
23.833
1.00
53.92
C

ATOM
3926
CZ3
TRP C
124
34.929
0.153
23.964
1.00
55.30
C

ATOM
3927
CH2
TRP C
124
36.036
−0.641
24.359
1.00
52.97
C

ATOM
3928
CZ2
TRP C
124
37.235
−0.070
24.661
1.00
51.53
C

ATOM
3929
C
TRP C
124
33.930
4.562
24.909
1.00
42.58
C

ATOM
3930
O
TRP C
124
33.703
3.798
25.815
1.00
41.67
O

ATOM
3931
N
VAL C
125
33.086
4.722
23.916
1.00
43.35
N

ATOM
3932
CA
VAL C
125
31.884
3.923
23.814
1.00
44.35
C

ATOM
3933
CB
VAL C
125
30.632
4.774
23.970
1.00
43.69
C

ATOM
3934
CG1
VAL C
125
29.456
4.054
23.491
1.00
40.89
C

ATOM
3935
CG2
VAL C
125
30.491
5.256
25.417
1.00
41.24
C

ATOM
3936
C
VAL C
125
31.914
3.321
22.431
1.00
46.68
C

ATOM
3937
O
VAL C
125
32.238
4.012
21.456
1.00
46.14
O

ATOM
3938
N
LYS C
126
31.651
2.014
22.398
1.00
49.76
N

ATOM
3939
CA
LYS C
126
31.643
1.209
21.188
1.00
53.17
C

ATOM
3940
CB
LYS C
126
32.431
−0.091
21.407
1.00
53.89
C

ATOM
3941
CG
LYS C
126
33.256
−0.601
20.202
1.00
55.39
C

ATOM
3942
CD
LYS C
126
34.694
−0.041
20.177
1.00
59.62
C

ATOM
3943
CE
LYS C
126
35.743
−1.005
20.762
1.00
62.42
C

ATOM
3944
NZ
LYS C
126
36.447
−1.846
19.714
1.00
65.94
N

ATOM
3945
C
LYS C
126
30.189
0.846
20.908
1.00
54.77
C

ATOM
3946
O
LYS C
126
29.438
0.418
21.641
1.00
54.35
O

ATOM
3947
N
ALA C
127
29.778
1.049
19.645
1.00
55.97
N

ATOM
3948
CA
ALA C
127
28.443
0.693
19.176
1.00
57.69
C

ATOM
3949
CB
ALA C
127
17.722
1.892
16.679
1.00
56.66
C

ATOM
3950
C
ALA C
127
28.531
−0.373
18.086
1.00
59.47
C

ATOM
3951
O
ALA C
127
29.095
−0.150
16.999
1.00
59.70
O

ATOM
3952
N
PHE C
128
28.005
−1.546
18.398
1.00
61.21
N

ATOM
3953
CA
PHE C
128
27.931
−2.612
17.427
1.00
63.27
C

ATOM
3954
CB
PHE C
128
27.991
−3.917
18.168
1.00
64.28
C

ATOM
3955
CG
PHE C
128
29.083
−3.984
19.170
1.00
65.50
C

ATOM
3956
CD1
PHE C
128
30.275
−4.619
18.860
1.00
65.96
C

ATOM
3957
CE1
PHE C
128
31.279
−4.715
19.792
1.00
67.73
C

ATOM
3958
CZ
PHE C
128
31.104
−4.170
21.048
1.00
67.08
C

ATOM
3959
CE2
PHE C
128
29.914
−3.526
21.360
1.00
67.14
C

ATOM
3960
CD2
PHE C
128
28.915
−3.433
20.418
1.00
65.33
C

ATOM
3961
C
PHE C
128
26.593
−2.608
16.777
1.00
64.20
C

ATOM
3962
O
PHE C
128
25.593
−2.509
17.476
1.00
65.10
O

ATOM
3963
N
LEU C
129
26.540
−2.751
15.458
1.00
65.52
N

ATOM
3964
CA
LEU C
129
25.250
−2.988
14.768
1.00
66.51
C

ATOM
3965
CB
LEU C
129
25.044
−1.893
13.734
1.00
85.69
C

ATOM
3966
CG
LEU C
129
24.264
−2.266
12.492
1.00
66.65
C

ATOM
3967
CD1
LEU C
129
22.818
−2.208
12.866
1.00
67.48
C

ATOM
3968
CD2
LEU C
129
24.569
−1.273
11.363
1.00
68.54
C

ATOM
3969
C
LEU C
129
25.099
−4.445
14.158
1.00
67.56
C

ATOM
3970
O
LEU C
129
26.091
−5.127
13.847
1.00
67.07
O

ATOM
3971
N
ASP C
130
23.868
−4.934
14.024
1.00
68.88
N

ATOM
3972
CA
ASP C
130
23.634
−6.274
13.417
1.00
70.03
C

ATOM
3973
CB
ASP C
130
23.443
−7.347
14.519
1.00
69.57
C

ATOM
3974
CG
ASP C
130
24.411
−7.142
15.693
1.00
71.20
C

ATOM
3975
OD1
ASP C
130
24.281
−7.768
16.789
1.00
71.74
O

ATOM
3976
OD2
ASP C
130
25.324
−6.313
15.516
1.00
70.44
O

ATOM
3977
C
ASP C
130
22.516
−6.296
12.326
1.00
70.10
C

ATOM
3978
O
ASP C
130
21.353
−6.566
12.640
1.00
70.47
O

ATOM
3979
N
ARG C
131
22.896
−5.968
11.075
1.00
70.10
N

ATOM
3980
CA
ARG C
131
22.058
−6.053
9.849
1.00
69.96
C

ATOM
3981
CB
ARG C
131
22.899
−5.637
8.611
1.00
70.35
C

ATOM
3982
CG
ARG C
131
22.887
−4.151
8.160
1.00
70.91
C

ATOM
3983
CD
ARG C
131
23.320
−4.036
6.646
1.00
75.14
C

ATOM
3984
NE
ARG C
131
23.206
−2.666
6.057
1.00
76.51
N

ATOM
3985
CZ
ARG C
131
22.624
−2.340
4.576
1.00
77.84
C

ATOM
3986
NH1
ARG C
131
22.091
−3.278
4.094
1.00
75.88
N

ATOM
3987
NH2
ARG C
131
22.576
−1.059
4.461
1.00
76.34
N

ATOM
3988
C
ARG C
131
21.452
−7.501
9.612
1.00
69.96
C

ATOM
3989
O
ARG C
131
21.644
−8.432
10.478
1.00
70.20
O

ATOM
3990
N
PRO C
132
20.070
−7.703
8.473
1.00
08.56
N

ATOM
3991
CA
PRO C
132
20.060
−8.987
7.983
1.00
68.38
C

ATOM
3992
CB
PRO C
132
20.206
−8.869
6.449
1.00
60.50
C

ATOM
3993
CG
PRO C
132
19.905
−7.349
6.175
1.00
60.50
C

ATOM
3994
CD
PRO C
132
20.247
−6.604
7.571
1.00
60.50
C

ATOM
3995
C
PRO C
132
20.706
−10.294
8.443
1.00
68.79
C

ATOM
3996
O
PRO C
132
20.269
−10.910
9.453
1.00
68.93
O

ATOM
3997
N
SER C
133
21.736
−10.682
7.689
1.00
68.93
N

ATOM
3998
CA
SER C
133
22.491
−11.885
7.930
1.00
69.27
C

ATOM
3999
CB
SER C
133
22.086
−12.926
6.886
1.00
69.75
C

ATOM
4000
OG
SER C
133
20.949
−13.672
7.313
1.00
70.68
O

ATOM
4001
C
SER C
133
23.974
−11.587
7.821
1.00
68.93
C

ATOM
4002
O
SER C
133
24.694
−12.254
7.080
1.00
69.19
O

ATOM
4003
N
GLN C
134
24.427
−10.605
8.592
1.00
68.61
N

ATOM
4004
CA
GLN C
134
25.708
−9.927
8.362
1.00
68.28
C

ATOM
4005
CB
GLN C
134
25.411
−8.487
7.960
1.00
68.20
C

ATOM
4006
CG
GLN C
134
24.464
−8.376
6.801
1.00
67.75
C

ATOM
4007
CD
GLN C
134
25.207
−8.241
5.500
1.00
67.32
C

ATOM
4008
OE1
GLN C
134
24.859
−8.877
4.509
1.00
62.72
O

ATOM
4009
NE2
GLN C
134
26.267
−7.410
5.503
1.00
68.89
N

ATOM
4010
C
GLN C
134
26.632
−9.918
9.592
1.00
68.24
C

ATOM
4011
O
GLN C
134
26.162
−10.072
10.735
1.00
68.54
O

ATOM
4012
N
PRO C
135
27.946
−9.670
0.388
1.00
68.07
N

ATOM
4013
CA
PRO C
135
28.695
−9.675
10.634
1.00
67.71
C

ATOM
4014
CB
PRO C
135
30.148
−9.898
10.201
1.00
67.67
C

ATOM
4015
CG
PRO C
135
30.197
−9.586
8.718
1.00
67.65
C

ATOM
4016
CD
PRO C
135
28.784
−9.327
8.225
1.00
68.11
C

ATOM
4017
C
PRO C
135
28.477
−8.286
11.261
1.00
67.81
C

ATOM
4018
O
PRO C
135
27.882
−7.351
10.616
1.00
67.71
O

ATOM
4019
N
THR C
136
28.907
−8.155
12.511
1.00
66.41
N

ATOM
4020
CA
THR C
136
28.459
−7.036
13.307
1.00
65.05
C

ATOM
4021
CB
THR C
136
28.327
−7.407
14.852
1.00
65.71
C

ATOM
4022
OG1
THR C
136
29.624
−7.397
15.491
1.00
66.29
O

ATOM
4023
CG2
THR C
136
27.558
−8.797
15.093
1.00
64.86
C

ATOM
4024
C
THR C
136
29.379
−5.860
13.030
1.00
63.93
C

ATOM
4025
O
THR C
136
30.558
−5.896
13.386
1.00
63.74
O

ATOM
4026
N
GLN C
137
28.842
−4.837
12.371
1.00
62.53
N

ATOM
4027
CA
GLN C
137
29.570
−3.590
12.118
1.00
61.48
C

ATOM
4028
CB
GLN C
137
28.737
−2.713
11.197
1.00
60.93
C

ATOM
4029
CG
GLN C
137
29.361
−1.377
10.879
1.00
59.58
C

ATOM
4030
CD
GLN C
137
28.591
−0.727
9.824
1.00
58.66
C

ATOM
4031
OE1
GLN C
137
27.601
−1.290
9.384
1.00
63.24
O

ATOM
4032
NE2
GLN C
137
29.001
0.455
9.387
1.00
57.36
N

ATOM
4033
C
GLN C
137
29.956
−2.802
13.406
1.00
61.04
C

ATOM
4034
O
GLN C
137
29.366
−3.042
14.473
1.00
61.24
O

ATOM
4035
N
GLU C
138
30.912
−1.860
13.291
1.00
59.93
N

ATOM
4036
CA
GLU C
137
31.431
−1.091
14.447
1.00
59.53
C

ATOM
4037
CB
GLU C
138
32.791
−1.604
14.850
1.00
60.07
C

ATOM
4038
CG
GLU C
138
32.738
−2.660
15.916
1.00
63.64
C

ATOM
4039
CD
GLU C
138
34.104
−2.891
16.509
1.00
67.53
C

ATOM
4040
OE1
GLU C
138
34.507
−4.072
16.571
1.00
70.10
O

ATOM
4041
OE2
GLU C
138
34.774
−1.894
16.685
1.00
68.42
O

ATOM
4042
C
GLU C
138
31.592
0.414
14.290
1.00
58.31
C

ATOM
4043
O
GLU C
138
31.828
0.929
13.203
1.00
58.95
O

ATOM
4044
N
THR C
139
31.448
1.113
15.407
1.00
56.52
N

ATOM
4045
CA
THR C
139
31.836
2.512
15.541
1.00
54.19
C

ATOM
4046
CB
THR C
139
30.703
3.492
15.122
1.00
54.27
C

ATOM
4047
OG1
THR C
139
31.190
4.825
15.161
1.00
54.78
O

ATOM
4048
CC2
THR C
139
29.540
3.448
16.064
1.00
53.03
C

ATOM
4049
C
THR C
139
32.237
2.701
17.006
1.00
53.00
C

ATOM
4050
O
THR C
139
31.611
2.133
17.913
1.00
54.06
O

ATOM
4051
N
LYS C
140
33.288
3.473
17.240
1.00
51.10
N

ATOM
4052
CA
LYS C
140
33.846
3.712
18.588
1.00
49.42
C

ATOM
4053
CB
LYS C
140
35.160
2.956
18.711
1.00
48.81
C

ATOM
4054
CG
LYS C
140
36.156
3.617
19.553
1.00
50.75
C

ATOM
4055
CD
LYS C
140
37.177
2.617
20.081
1.00
54.82
C

ATOM
4056
CE
LYS C
140
38.509
3.298
20.358
1.00
59.13
C

ATOM
4057
NZ
LYS C
140
39.615
2.320
20.373
1.00
65 .33
N

ATOM
4058
C
LYS C
140
34.059
5.232
18.818
1.00
47.50
C

ATOM
4059
O
LYS C
140
34.537
5.807
17.932
1.00
48.36
O

ATOM
4060
N
LYS C
141
33.706
5.807
19.959
1.00
44.75
N

ATOM
4061
CA
LYS C
141
34.014
7.240
20.110
1.00
42.08
C

ATOM
4062
CB
LYS C
141
32.796
8.059
19.765
1.00
41.85
C

ATOM
4063
CG
LYS C
141
33.119
9.448
19.566
1.00
41.48
C

ATOM
4064
CD
LYS C
141
31.910
10.303
19.412
1.00
40.54
C

ATOM
4065
CE
LYS C
141
31.520
10.322
17.942
1.00
42.71
C

ATOM
4066
NZ
LYS C
141
30.650
11.481
17.556
1.00
42.29
N

ATOM
4067
C
LYS C
141
34.529
7.588
21.511
1.00
40.84
C

ATOM
4068
O
LYS C
141
33.963
7.142
22.511
1.00
40.35
O

ATOM
4069
N
ASN C
142
35.626
8.313
21.599
1.00
39.32
N

ATOM
4070
CA
ASN C
142
36.209
8.557
22.912
1.00
39.51
C

ATOM
4071
CB
ASN C
142
37.653
8.993
22.833
1.00
38.60
C

ATOM
4072
CG
ASN C
142
38.534
7.945
22.234
1.00
42.96
C

ATOM
4073
OD1
ASN C
142
38.679
6.840
22.768
1.00
46.73
O

ATOM
4074
ND2
ASN C
142
39.134
8.277
21.092
1.00
49.68
N

ATOM
4075
C
ASN C
142
35.438
9.592
23.686
1.00
39.04
C

ATOM
4076
O
ASN C
142
34.738
10.419
23.099
1.00
39.34
O

ATOM
4077
N
PHE C
143
35.626
9.490
25.001
1.00
37.77
N

ATOM
4078
CA
PHE C
143
35.205
10.579
25.845
1.00
37.06
C

ATOM
4079
CB
PHE C
143
33.802
10.430
28.418
1.00
37.22
C

ATOM
4080
CG
PHE C
143
33.635
9.294
27.360
1.00
34.90
C

ATOM
4081
CD
PHE C
143
33.399
7.983
26.875
1.00
35.02
C

ATOM
4082
CE1
PHE C
143
33.247
6.931
27.728
1.00
29.36
C

ATOM
4083
CZ
PHE C
143
33.300
7.168
29.107
1.00
30.29
C

ATOM
4084
CE2
PHE C
143
33.546
8.448
29.600
1.00
28.80
C

ATOM
4085
CD2
PHE C
143
33.685
9.509
28.707
1.00
30.80
C

ATOM
4086
C
PHE C
143
36.309
10.797
26.913
1.00
38.52
C

ATOM
4087
O
PHE C
143
37.150
9.915
27.167
1.00
35.89
O

ATOM
4088
N
GLU C
144
36.308
12.028
27.458
1.00
40.77
N

ATOM
4089
CA
GLU C
144
37.310
12.540
28.404
1.00
42.24
C

ATOM
4090
CB
GLU C
144
37.735
13.937
28.015
1.00
41.78
C

ATOM
4091
CG
GLU C
144
38.538
13.947
26.716
1.00
48.03
C

ATOM
4092
CD
GLU C
144
39.820
13.058
26.748
1.00
50.83
C

ATOM
4093
OE1
GLU C
144
40.767
13.330
27.565
1.00
48.66
O

ATOM
4094
OE2
GLU C
144
39.840
12.110
25.936
1.00
51.81
O

ATOM
4095
C
GLU C
144
36.838
12.514
29.836
1.00
42.99
C

ATOM
4096
O
GLU C
144
35.673
12.675
30.119
1.00
41.61
O

ATOM
4097
N
VAL C
145
37.788
12.291
30.732
1.00
46.23
N

ATOM
4098
CA
VAL C
145
37.517
11.909
32.106
1.00
49.67
C

ATOM
4099
CB
VAL C
145
37.538
10.377
32.257
1.00
48.91
C

ATOM
4100
CG1
VAL C
145
37.810
9.970
33.678
1.00
49.31
C

ATOM
4101
CG2
VAL C
145
36.230
9.804
31.802
1.00
48.21
C

ATOM
4102
C
VAL C
145
38.626
12.542
32.907
1.00
52.61
C

ATOM
4103
O
VAL C
145
39.684
12.749
32.325
1.00
53.17
O

ATOM
4104
N
VAL C
146
38.390
12.852
34.202
1.00
56.02
N

ATOM
4105
CA
VAL C
146
39.365
13.554
35.040
1.00
59.52
C

ATOM
4106
CB
VAL C
146
39.262
15.069
34.888
1.00
59.14
C

ATOM
4107
CG1
VAL C
146
37.885
15.595
35.386
1.00
60.24
C

ATOM
4108
CG2
VAL C
146
40.372
15.724
35.661
1.00
58.99
C

ATOM
4109
C
VAL C
146
39.230
13.308
36.525
1.00
62.86
C

ATOM
4110
O
VAL C
146
38.239
13.682
37.154
1.00
63.24
O

ATOM
4111
N
ASP C
147
40.272
12.764
37.129
1.00
67.18
N

ATOM
4112
CA
ASP C
147
40.213
12.586
38.576
1.00
70.75
C

ATOM
4113
CB
ASP C
147
40.968
11.334
39.053
1.00
70.73
C

ATOM
4114
CG
ASP C
147
40.202
10.610
40.151
1.00
73.03
C

ATOM
4115
OD1
ASP C
147
39.120
10.052
39.669
1.00
73.09
O

ATOM
4116
OD2
ASP C
147
40.467
10.652
41.321
1.00
78.34
O

ATOM
4117
C
ASP C
147
40.579
13.890
39.325
1.00
72.10
C

ATOM
4118
O
ASP C
147
41.550
14.564
38.935
1.00
72.84
O

ATOM
4119
N
LEU C
148
39.783
14.210
40.369
1.00
73.84
N

ATOM
4120
CA
LEU C
148
39.559
15.575
40.961
1.00
75.07
C

ATOM
4121
CB
LEU C
148
38.221
15.585
41.790
1.00
75.76
C

ATOM
4122
CG
LEU C
148
37.710
16.609
42.855
1.00
77.02
C

ATOM
4123
CD1
LEU C
148
37.889
18.084
42.410
1.00
76.39
C

ATOM
4124
CD2
LEU C
148
36.227
16.341
43.303
1.00
75.11
C

ATOM
4125
C
LEU C
148
40.734
16.160
41.777
1.00
75.27
C

ATOM
4126
O
LEU C
148
41.862
15.639
41.748
1.00
75.09
O

ATOM
4127
N
PRO C
154
52.732
13.255
39.944
1.00
68.29
N

ATOM
4128
CA
PRO C
154
53.924
12.615
40.526
1.00
67.68
C

ATOM
4129
CB
PRO C
154
53.385
11.956
41.807
1.00
67.30
C

ATOM
4130
CG
PRO C
154
51.940
11.609
41.485
1.00
68.82
C

ATOM
4131
CD
PRO C
154
51.491
12.532
40.288
1.00
68.72
C

ATOM
4132
C
PRO C
154
54.436
11.544
39.572
1.00
66.93
C

ATOM
4133
O
PRO C
154
53.612
10.757
39.077
1.00
67.56
O

ATOM
4134
N
ASP C
155
55.756
11.521
39.312
1.00
65.48
N

ATOM
4135
CA
ASP C
155
56.345
10.614
36.323
1.00
63.79
C

ATOM
4136
CB
ASP C
155
57.680
11.113
37.754
1.00
63.68
C

ATOM
4137
CG
ASP C
155
58.412
10.004
36.939
1.00
63.52
C

ATOM
4138
OD1
ASP C
155
57.721
9.364
36.115
1.00
66.21
O

ATOM
4139
OD2
ASP C
155
59.628
9.734
37.110
1.00
58.70
O

ATOM
4140
C
ASP C
155
56.623
9.253
38.907
1.00
6.22
C

ATOM
4141
O
ASP C
155
57.349
9.129
39.895
1.00
65.07
O

ATOM
4142
N
LEU C
156
56.127
8.232
36.228
1.00
60.68
N

ATOM
4143
CA
LEU C
156
56.372
6.837
38.542
1.00
58.32
C

ATOM
4144
CB
LEU C
156
56.142
5.998
37.289
1.00
58.23
C

ATOM
4145
CG
LEU C
156
55.915
4.500
37.439
1.00
58.41
C

ATOM
4146
CD1
LEU C
156
54.855
4.197
38.463
1.00
58.35
C

ATOM
4147
CD2
LEU C
156
55.472
3.927
36.157
1.00
58.93
C

ATOM
4148
C
LEU C
156
57.725
6.467
39.084
1.00
57.08
C

ATOM
4149
O
LEU C
156
57.844
5.489
39.798
1.00
57.60
O

ATOM
4150
N
MET C
157
58.763
7.194
38.735
1.00
55.85
N

ATOM
4151
CA
MET C
157
60.078
6.730
39.155
1.00
55.20
C

ATOM
4152
CB
MET C
157
60.985
6.485
37.958
1.00
54.81
C

ATOM
4153
CG
MET C
157
60.489
5.429
37.036
1.00
57.32
C

ATOM
4154
SD
MET C
157
60.967
3.725
37.430
1.00
62.32
S

ATOM
4155
CE
MET C
157
59.490
3.090
38.229
1.00
62.46
C

ATOM
4156
C
MET C
157
60.749
7.632
40.189
1.00
54.64
C

ATOM
4157
O
MET C
157
61.839
7.323
40.664
1.00
53.78
O

ATOM
4158
N
ALA C
158
60.084
8.726
40.561
1.00
54.32
N

ATOM
4159
CA
ALA C
158
60.585
9.583
41.635
1.00
54.22
C

ATOM
4160
CB
ALA C
158
59.887
10.926
41.584
1.00
53.28
C

ATOM
4161
C
ALA C
158
60.454
8.896
43.042
1.00
54.33
C

ATOM
4162
O
ALA C
158
59.663
7.996
43.233
1.00
53.70
O

ATOM
4163
N
PRO C
159
61.217
9.343
44.029
1.00
54.71
N

ATOM
4164
CA
PRO C
159
61.114
8.712
45.291
1.00
55.14
C

ATOM
4165
CB
PRO C
159
62.300
9.280
46.056
1.00
54.86
C

ATOM
4166
CG
PRO C
159
63.078
10.052
45.138
1.00
54.79
C

ATOM
4167
CD
PRO C
159
62.158
10.468
44.070
1.00
55.65
C

ATOM
4168
C
PRO C
159
59.852
9.200
45.949
1.00
56.77
C

ATOM
4169
O
PRO C
159
59.467
10.341
45.735
1.00
57.98
O

ATOM
4170
N
VAL C
160
59.221
8.346
46.747
1.00
57.61
N

ATOM
4171
CA
VAL C
160
57.998
8.666
47.467
1.00
58.36
C

ATOM
4172
CB
VAL C
160
56.880
7.635
47.120
1.00
58.99
C

ATOM
4173
CG1
VAL C
160
55.605
7.825
47.968
1.00
59.53
C

ATOM
4174
CG2
VAL C
160
56.538
7.683
45.653
1.00
60.38
C

ATOM
4175
C
VAL C
160
58.237
8.613
48.955
1.00
58.37
C

ATOM
4176
O
VAL C
160
51.197
7.646
49.397
1.00
58.44
O

ATOM
4177
N
SER C
161
57.632
9.419
49.738
1.00
58.66
N

ATOM
4178
CA
SER C
161
58.026
9.595
51.555
1.00
58.94
C

ATOM
4179
CB
SER C
161
59.362
10.285
51.212
1.00
58.35
C

ATOM
4180
OG
SER C
161
59.125
11.614
50.867
1.00
57.56
O

ATOM
4181
C
SER C
161
57.043
10.448
51.961
1.00
58.67
C

ATOM
4182
O
SER C
161
56.343
11.307
51.419
1.00
59.48
O

ATOM
4183
N
ALA C
162
57.033
10.248
53.262
1.00
57.28
N

ATOM
4184
CA
ALA C
162
56.021
10.891
54.085
1.00
56.19
C

ATOM
4185
CB
ALA C
162
54.679
10.142
53.973
1.00
54.65
C

ATOM
4186
C
ALA C
162
56.572
10.844
55.499
1.00
55.55
C

ATOM
4187
O
ALA C
162
54.578
10.108
55.745
1.00
54.98
O

ATOM
4188
N
LYS C
163
55.992
11.649
56.389
1.00
54.94
N

ATOM
4189
CA
LYS C
163
56.281
11.572
57.805
1.00
55.85
C

ATOM
4190
CB
LYS C
163
57.472
12.464
58.243
1.00
57.26
C

ATOM
4191
CG
LYS C
163
57.575
13.887
57.630
1.00
59.16
C

ATOM
4192
CD
LYS C
163
56.279
14.725
57.891
1.00
63.79
C

ATOM
4193
CE
LYS C
163
56.515
16.235
57.920
1.00
66.70
C

ATOM
4194
NZ
LYS C
163
57.258
16.740
56.703
1.00
68.21
N

ATOM
4195
C
LYS C
163
55.044
11.894
58.602
1.00
55.77
C

ATOM
4196
O
LYS C
163
54.167
12.646
58.155
1.00
55.98
O

ATOM
4197
N
LYS C
164
54.955
11.303
59.782
1.00
54.89
N

ATOM
4198
CA
LYS C
164
53.832
11.568
60.536
1.00
53.90
C

ATOM
4199
CB
LYS C
164
52.690
10.607
60.321
1.00
64.68
C

ATOM
4200
CG
LYS C
164
51.453
10.783
61.190
1.00
55.73
C

ATOM
4201
CD
LYS C
164
50.238
10.829
60.321
1.00
58.96
C

ATOM
4202
CE
LYS C
164
49.711
9.448
60.091
1.00
60.49
C

ATOM
4203
NZ
LYS C
164
48.458
9.535
59.320
1.00
62.54
N

ATOM
4204
C
LYS C
164
54.239
11.501
62.087
1.00
52.88
C

ATOM
4205
O
LYS C
164
55.174
10.815
62.442
1.00
52.25
O

ATOM
4206
N
GLU C
165
53.516
12.249
62.901
1.00
52.21
N

ATOM
4207
CA
GLU C
165
53.791
12.434
64.297
1.00
52.22
C

ATOM
4208
CB
GLU C
165
54.556
13.742
64.426
1.00
51.97
C

ATOM
4209
CB
GLU C
165
54.999
14.097
65.828
1.00
58.09
C

ATOM
4210
CD
GLU C
165
56.376
14.758
65.867
1.00
63.78
C

ATOM
4211
OE1
GLU C
165
56.641
15.616
64.993
1.00
67.01
O

ATOM
4212
OE2
GLU C
165
57.192
14.404
66.751
1.00
66.02
O

ATOM
4213
C
GLU C
165
52.441
12.387
65.105
1.00
51.69
C

ATOM
4214
O
GLU C
165
51.446
12.989
64.728
1.00
51.53
O

ATOM
4215
N
LYS C
166
52.339
11.601
66.174
1.00
51.96
N

ATOM
4216
CA
LYS C
166
51.226
11.568
67.083
1.00
51.27
C

ATOM
4217
CB
LYS C
166
50.378
10.296
66.927
1.00
51.34
C

ATOM
4218
CG
LYS C
166
48.899
10.491
67.367
1.00
55.64
C

ATOM
4219
CD
LYS C
166
47.987
9.242
67.232
1.00
61.12
C

ATOM
4220
CE
LYS C
166
48.465
8.033
68.107
1.00
64.27
C

ATOM
4221
NZ
LYS C
166
47.375
7.458
69.009
1.00
65.09
N

ATOM
4222
C
LYS C
166
51.677
11.717
68.530
1.00
50.43
C

ATOM
4223
O
LYS C
166
52.729
11.222
68.952
1.00
50.85
O

ATOM
4224
N
LYS C
167
50.581
12.442
69.265
1.00
49.67
N

ATOM
4225
CA
LYS C
167
51.025
12.776
70.649
1.00
48.77
C

ATOM
4226
CB
LYS C
167
50.114
13.959
70.956
1.00
48.49
C

ATOM
4227
CG
LYS C
167
50.611
14.847
72.092
1.00
55.24
C

ATOM
4228
CD
LYS C
167
49.932
16.259
72.120
1.00
59.10
C

ATOM
4229
CE
LYS C
167
48.793
16.346
73.175
1.00
61.87
C

ATOM
4230
NZ
LYS C
167
49.251
16.875
74.523
1.00
65.09
N

ATOM
4231
C
LYS C
167
50.551
11.512
71.335
1.00
47.21
C

ATOM
4232
O
LYS C
167
49.440
11.091
71.089
1.00
47.40
O

ATOM
4233
N
VAL C
168
51.411
10.870
72.28
1.00
45.80
N

ATOM
4234
CA
VAL C
168
51.023
9.723
72.939
1.00
44.07
C

ATOM
4235
CB
VAL C
168
51.753
8.417
72.546
1.00
44.05
C

ATOM
4236
CG1
VAL C
168
51.309
7.297
73.473
1.00
44.68
C

ATOM
4237
CG2
VAL C
168
51.478
8.023
71.115
1.00
41.57
C

ATOM
4238
C
VAL C
168
51.350
10.075
74.366
1.00
44.14
C

ATOM
4239
O
VAL C
168
52.472
9.908
74.831
1.00
44.52
O

ATOM
4240
N
SER C
169
50.395
10.625
75.086
1.00
44.69
N

ATOM
4241
CA
SER C
169
50.823
11.276
76.303
1.00
44.63
C

ATOM
4242
CB
SER C
169
50.161
12.608
76.499
1.00
44.58
C

ATOM
4243
OG
SER C
169
48.819
12.366
76.658
1.00
45.12
O

ATOM
4244
C
SER C
169
50.580
10.403
77.466
1.00
44.59
C

ATOM
4245
O
SER C
169
49.895
9.387
77.356
1.00
44.94
O

ATOM
4246
N
SER C
170
51.130
10.862
78.579
1.00
44.73
N

ATOM
4247
CA
SER C
170
51.475
10.099
79.751
1.00
44.62
C

ATOM
4248
CB
SER C
170
52.985
9.841
79.680
1.00
44.98
C

ATOM
4249
OG
SER C
170
53.428
8.641
80.273
1.00
46.07
O

ATOM
4250
C
SER C
170
51.200
11.154
80.801
1.00
44.78
C

ATOM
4251
O
SER C
170
51.318
12.368
80.544
1.00
45.41
O

ATOM
4252
N
MET C
171
50.821
10.736
81.989
1.00
45.22
N

ATOM
4253
CA
MET C
171
50.805
11.700
83.080
1.00
45.70
C

ATOM
4254
CB
MET C
171
50.209
11.100
84.338
1.00
45.61
C

ATOM
4255
CG
MET C
171
50.337
12.069
85.529
1.00
46.88
C

ATOM
4256
SD
MET C
171
49.722
11.420
87.095
1.00
48.12
S

ATOM
4257
CE
MET C
171
50.201
12.843
88.150
1.00
51.92
C

ATOM
4258
C
MET C
171
52.212
12.281
83.359
1.00
45.86
C

ATOM
4259
O
MET C
171
52.360
13.473
83.650
1.00
45.25
O

ATOM
4260
N
PHE C
172
53.236
11.440
83.240
1.00
46.45
N

ATOM
4261
CA
PHE C
172
54.596
11.889
83.529
1.00
46.88
C

ATOM
4262
CB
PHE C
172
55.326
10.875
84.414
1.00
47.89
C

ATOM
4263
CG
PHE C
172
54.698
10.712
85.784
1.00
50.13
C

ATOM
4264
CD1
PHE C
172
54.661
11.795
86.694
1.00
52.87
C

ATOM
4265
CE1
PHE C
172
54.071
11.676
87.971
1.00
52.30
C

ATOM
4266
CZ
PHE C
172
53.516
10.457
88.366
1.00
54.33
C

ATOM
4267
CE2
PHE C
172
53.541
9.354
87.478
1.00
53.87
C

ATOM
4268
CD2
PHE C
172
54.138
9.499
86.175
1.00
52.04
C

ATOM
4269
C
PHE C
172
55.371
12.257
82.276
1.00
46.20
C

ATOM
4270
O
PHE C
172
56.383
12.929
82.340
1.00
45.27
O

ATOM
4271
N
ILE C
173
54.866
11.868
81.114
1.00
46.03
N

ATOM
4272
CA
ILE C
173
55.404
12.464
79.890
1.00
45.35
C

ATOM
4273
CB
ILE C
173
56.250
11.431
79.936
1.00
45.14
C

ATOM
4274
CG1
ILE C
173
57.266
10.699
79.921
1.00
43.90
C

ATOM
4275
CD1
ILE C
173
57.560
9.283
79.432
1.00
41.52
C

ATOM
4276
CG2
ILE C
173
57.048
12.128
77.938
1.00
43.38
C

ATOM
4277
C
ILE C
173
54.298
13.198
79.086
1.00
45.02
C

ATOM
4278
O
ILE C
173
53.851
12.693
78.079
1.00
45.42
O

ATOM
4279
N
PRO C
174
53.847
14.395
79.535
1.00
45.01
N

ATOM
4280
CA
PRO C
174
52.739
15.003
78.769
1.00
44.87
C

ATOM
4281
CB
PRO C
174
52.486
16.319
79.502
1.00
43.47
C

ATOM
4282
CG
PRO C
174
52.958
16.027
80.864
1.00
44.23
C

ATOM
4283
CD
PRO C
174
54.187
15.230
80.705
1.00
44.31
C

ATOM
4284
C
PRO C
174
53.058
15.250
77.312
1.00
45.10
C

ATOM
4285
O
PRO C
174
52.188
15.164
76.493
1.00
44.59
O

ATOM
4286
N
ASP C
175
54.310
15.526
76.977
1.00
47.27
N

ATOM
4287
CA
ASP C
175
54.653
15.886
75.598
1.00
47.71
C

ATOM
4288
CB
ASP C
175
55.721
17.004
75.600
1.00
49.22
C

ATOM
4289
CG
ASP C
175
55.290
18.247
76.445
1.00
53.40
C

ATOM
4290
OD1
ASP C
175
56.136
18.798
77.204
1.00
58.49
O

ATOM
4291
OD2
ASP C
175
54.122
18.694
76.639
1.00
58.39
O

ATOM
4292
C
ASP C
175
55.136
14.649
74.861
1.00
48.84
C

ATOM
4293
O
ASP C
175
55.768
14.757
73.830
1.00
46.79
O

ATOM
4294
N
GLY C
176
54.825
13.479
75.400
1.00
46.12
N

ATOM
4295
CA
GLY C
176
55.118
12.232
74.744
1.00
47.04
C

ATOM
4296
C
GLY C
176
54.630
12.164
73.303
1.00
48.29
C

ATOM
4297
O
GLY C
176
53.469
12.535
72.969
1.00
48.61
O

ATOM
4298
N
ARG C
177
55.515
11.720
72.416
1.00
49.32
N

ATOM
4299
CA
ARG C
177
55.201
11.656
70.979
1.00
49.37
C

ATOM
4300
CB
ARG C
177
55.680
12.008
70.299
1.00
49.90
C

ATOM
4301
CG
ARG C
177
54.915
14.119
70.831
1.00
55.95
C

ATOM
4302
CD
ARG C
177
55.450
15.461
70.371
1.00
63.91
C

ATOM
4303
NE
ARG C
177
54.398
16.500
70.361
1.00
70.13
N

ATOM
4304
CZ
ARG C
177
53.472
16.649
69.397
1.00
73.58
C

ATOM
4305
NH1
ARG C
177
53.404
15.817
68.344
1.00
72.02
N

ATOM
4306
NH2
ARG C
177
52.595
17.643
69.491
1.00
75.95
N

ATOM
4307
C
ARG C
177
55.793
10.410
70.324
1.00
48.61
C

ATOM
4308
O
ARG C
177
56.787
9.853
70.799
1.00
48.98
O

ATOM
4309
N
VAL C
178
55.115
9.937
69.285
1.00
47.21
N

ATOM
4310
CA
VAL C
178
55.614
8.872
68.427
1.00
45.09
C

ATOM
4311
CB
VAL C
178
54.743
7.614
68.523
1.00
44.87
C

ATOM
4312
CG1
VAL C
178
55.239
6.535
67.600
1.00
42.90
C

ATOM
4313
CG2
VAL C
178
54.760
7.112
69.924
1.00
45.07
C

ATOM
4314
C
VAL C
178
55.554
9.414
67.029
1.00
43.91
C

ATOM
4315
O
VAL C
178
54.589
10.060
66.657
1.00
42.30
O

ATOM
4316
N
SER C
179
56.608
9.167
66.289
1.00
43.21
N

ATOM
4317
CA
SER C
179
56.686
9.688
64.923
1.00
42.87
C

ATOM
4318
CB
SER C
179
57.420
11.017
64.884
1.00
42.32
C

ATOM
4319
OG
SER C
179
58.715
10.705
64.427
1.00
45.07
O

ATOM
4320
C
SER C
179
57.481
8.748
64.086
1.00
42.57
C

ATOM
4321
O
SER C
179
58.237
8.015
64.617
1.00
42.21
O

ATOM
4322
N
VAL C
180
57.423
8.841
62.769
1.00
42.24
N

ATOM
4323
CA
VAL C
180
57.878
8.000
61.784
1.00
42.44
C

ATOM
4324
CB
VAL C
180
57.025
6.720
61.535
1.00
42.93
C

ATOM
4325
CG1
VAL C
180
55.541
7.052
61.527
1.00
41.43
C

ATOM
4326
CG2
VAL C
180
57.482
5.928
60.285
1.00
41.33
C

ATOM
4327
C
VAL C
180
58.059
8.738
60.493
1.00
43.70
C

ATOM
4328
O
VAL C
180
57.169
9.464
60.044
1.00
45.95
O

ATOM
4329
N
SER C
181
59.181
8.563
59.834
1.00
43.90
N

ATOM
4330
CA
SER C
181
59.156
8.983
58.467
1.00
44.68
C

ATOM
4331
CB
SER C
181
59.723
10.365
58.316
1.00
43.92
C

ATOM
4332
OG
SER C
181
61.052
10.353
58.709
1.00
44.69
O

ATOM
4333
C
SER C
181
59.905
7.983
57.654
1.00
45.43
C

ATOM
4334
O
SER C
181
60.887
7.411
58.129
1.00
46.92
O

ATOM
4335
N
ALA C
182
59.460
7.794
56.424
1.00
45.74
N

ATOM
4336
CA
ALA C
182
59.964
6.746
55.565
1.00
45.72
C

ATOM
4337
CB
ALA C
182
59.023
5.660
55.505
1.00
44.57
C

ATOM
4338
C
ALA C
182
60.077
7.318
54.200
1.00
47.36
C

ATOM
4339
O
ALA C
182
59.346
8.288
53.842
1.00
48.32
O

ATOM
4340
N
ARG C
183
60.938
6.652
53.421
1.00
47.94
N

ATOM
4341
CA
ARG C
183
61.235
6.958
52.028
1.00
47.55
C

ATOM
4342
CB
ARG C
183
62.467
7.850
51.985
1.00
47.47
C

ATOM
4343
CG
ARG C
183
62.849
8.392
50.586
1.00
52.45
C

ATOM
4344
CD
ARG C
183
64.376
8.550
50.561
1.00
59.71
C

ATOM
4345
NE
ARG C
183
65.011
8.732
49.239
1.00
66.28
N

ATOM
4346
CZ
ARG C
183
64.894
9.798
48.434
1.00
68.16
C

ATOM
4347
NH1
ARG C
183
64.078
10.819
48.742
1.00
69.93
N

ATOM
4348
NH2
ARG C
183
65.582
9.827
47.286
1.00
66.34
N

ATOM
4349
C
ARG C
183
61.465
5.636
51.239
1.00
46.85
C

ATOM
4350
O
ARG C
183
62.059
4.693
51.759
1.00
46.88
O

ATOM
4351
N
ILE C
184
60.951
5.569
50.005
1.00
46.15
N

ATOM
4352
CA
ILE C
184
61.278
4.510
49.039
1.00
45.21
C

ATOM
4353
CB
ILE C
184
60.095
3.588
48.792
1.00
43.65
C

ATOM
4354
CG1
ILE C
184
58.861
4.414
48.426
1.00
43.71
C

ATOM
4355
CD1
IEL C
184
57.675
3.658
47.815
1.00
37.08
C

ATOM
4356
CG2
ILE C
184
59.819
2.827
50.051
1.00
43.77
C

ATOM
4357
C
ILE C
184
61.772
5.151
47.734
1.00
45.89
C

ATOM
4358
O
ILE C
184
61.499
6.325
47.502
1.00
44.97
O

ATOM
4359
N
ASP C
185
62.495
4.396
46.898
1.00
47.38
N

ATOM
4360
CA
ASP C
185
63.178
5.006
45.742
1.00
49.29
C

ATOM
4361
CB
ASP C
185
64.541
4.352
45.413
1.00
50.09
C

ATOM
4362
CG
ASP C
185
64.440
3.068
44.568
1.00
57.04
C

ATOM
4363
OD1
ASP C
185
63.966
3.109
43.381
1.00
53.43
O

ATOM
4364
OD2
ASP C
185
64.927
2.006
45.058
1.00
62.75
O

ATOM
4365
C
ASP C
185
62.304
5.400
44.500
1.00
49.20
C

ATOM
4366
O
ASP C
185
62.522
6.460
43.897
1.00
51.02
O

ATOM
4367
N
ARG C
186
61.303
4.580
44.190
1.00
47.57
N

ATOM
4368
CA
ARG C
186
60.365
4.836
43.107
1.00
45.47
C

ATOM
4369
CB
ARG C
186
60.763
3.996
41.914
1.00
45.17
C

ATOM
4370
CG
ARG C
186
61.000
2.592
42.291
1.00
44.01
C

ATOM
4371
CD
ARG C
186
61.746
1.892
41.229
1.00
46.16
C

ATOM
4372
NE
ARG C
186
62.284
0.654
41.812
1.00
50.63
N

ATOM
4373
CZ
ARG C
186
61.939
−0.585
41.441
1.00
50.56
C

ATOM
4374
NH1
ARG C
186
61.057
−0.786
40.446
1.00
52.67
N

ATOM
4375
NH2
ARG C
186
62.476
−1.835
42.062
1.00
46.71
N

ATOM
4376
C
ARG C
186
58.971
4.424
43.608
1.00
44.39
C

ATOM
4377
O
ARG C
186
58.834
3.951
44.755
1.00
44.16
O

ATOM
4378
N
LYS C
187
57.955
4.572
42.773
1.00
41.92
N

ATOM
4379
CA
LYS C
187
56.666
4.088
43.166
1.00
42.03
C

ATOM
4380
CB
LYS C
187
55.077
5.207
42.893
1.00
42.45
C

ATOM
4381
CG
LYS C
187
54.216
4.787
42.750
1.00
48.24
C

ATOM
4382
CD
LYS C
187
53.359
5.946
42.182
1.00
50.66
C

ATOM
4383
CE
LYS C
187
51.916
5.801
42.536
1.00
53.40
C

ATOM
4384
NZ
LYS C
187
51.433
7.193
42.609
1.00
56.86
N

ATOM
4385
C
LYS C
187
56.255
2.778
42.428
1.00
41.46
C

ATOM
4386
O
LYS C
187
55.282
2.128
42.787
1.00
41.54
O

ATOM
4387
N
GLY C
188
57.066
2.383
41.405
1.00
40.37
N

ATOM
4388
CA
GLY C
188
56.602
1.296
40.566
1.00
38.82
C

ATOM
4389
C
GLY C
188
57.526
0.134
40.798
1.00
38.47
C

ATOM
4390
O
GLY C
188
58.734
0.242
40.671
1.00
37.90
O

ATOM
4391
N
PHE C
189
56.958
−1.004
41.136
1.00
38.32
N

ATOM
4392
CA
PHE C
189
57.750
−2.210
41.270
1.00
37.92
C

ATOM
4393
CB
PHE C
189
57.840
−2.613
42.705
1.00
36.06
C

ATOM
4394
CG
PHE C
189
58.413
−1.551
43.562
1.00
35.58
C

ATOM
4395
CD1
PHE C
189
59.800
−1.482
43.785
1.00
34.82
C

ATOM
4396
CE1
PHE C
189
60.381
−0.493
44.554
1.00
27.14
C

ATOM
4397
CZ
PHE C
189
59.618
0.430
45.114
1.00
28.75
C

ATOM
4398
CE2
PHE C
189
58.206
0.376
44.935
1.00
30.90
C

ATOM
4399
CD2
PHE C
189
57.613
−0.598
44.142
1.00
31.05
C

ATOM
4400
C
PHE C
189
57.153
−3.292
40.431
1.00
38.62
C

ATOM
4401
O
PHE C
189
55.977
−3.236
40.120
1.00
39.85
O

ATOM
4402
N
CYS C
190
58.005
−4.185
39.975
1.00
39.95
N

ATOM
4403
CA
CSY C
190
57.606
−5.402
39.327
1.00
42.85
C

ATOM
4404
CB
CYS C
190
58.674
−5.852
38.328
1.00
43.30
C

ATOM
4405
SG
CYS C
190
59.344
−4.529
37.295
1.00
52.38
S

ATOM
4406
C
CYS C
190
57.461
−6.495
40.359
1.00
42.23
C

ATOM
4407
O
CYS C
190
58.266
−6.565
41.290
1.00
40.69
O

ATOM
4408
N
GLU C
191
56.537
−7.397
40.139
1.00
43.33
N

ATOM
4409
CA
GLU C
191
56.384
−8.526
41.044
1.00
44.50
C

ATOM
4410
CB
GLU C
191
55.272
−9.461
40.610
1.00
44.11
C

ATOM
4411
CG
GLU C
191
55.761
−10.605
39.783
1.00
50.19
C

ATOM
4412
CD
GLU C
191
54.691
−11.134
38.830
1.00
55.95
C

ATOM
4413
OE1
GLU C
191
54.914
−11.088
37.563
1.00
54.81
O

ATOM
4414
OE2
GLU C
191
53.641
−11.580
39.378
1.00
57.07
O

ATOM
4415
C
GLU C
191
57.737
−9.190
41.056
1.00
44.04
C

ATOM
4416
O
GLU C
191
58.323
−9.367
40.002
1.00
44.35
O

ATOM
4417
N
GLY C
192
58.248
−9.457
42.256
1.00
43.73
N

ATOM
4418
CA
GLY C
192
59.498
−10.112
42.465
1.00
44.34
C

ATOM
4419
C
GLY C
192
60.573
−9.230
43.047
1.00
45.66
C

ATOM
4420
O
GLY C
192
61.458
−9.702
43.753
1.00
45.93
O

ATOM
4421
N
ASP C
193
60.523
−7.941
42.753
1.00
47.44
N

ATOM
4422
CA
ASP C
193
61.545
−7.028
43.230
1.00
48.38
C

ATOM
4423
CB
ASP C
193
61.425
−5.632
42.602
1.00
49.25
C

ATOM
4424
CG
ASP C
193
61.830
−5.566
41.116
1.00
52.15
C

ATOM
4425
OD1
ASP C
193
62.631
−6.412
40.620
1.00
52.16
O

ATOM
4426
OD2
ASP C
193
61.337
−4.598
40.461
1.00
56.42
O

ATOM
4427
C
ASP C
193
61.243
−6.878
44.670
1.00
48.71
C

ATOM
4428
O
ASP C
193
60.145
−7.215
45.133
1.00
47.89
O

ATOM
4429
N
GLU C
194
62.197
−6.336
45.401
1.00
49.63
N

ATOM
4430
CA
GLU C
194
61.871
−5.976
46.757
1.00
50.47
C

ATOM
4431
CB
GLU C
194
62.919
−6.495
47.705
1.00
51.98
C

ATOM
4432
CG
GLU C
194
64.338
−6.283
47.279
1.00
56.28
C

ATOM
4433
CD
GLU C
194
65.285
−7.062
48.185
1.00
61.47
C

ATOM
4434
OE1
GLU C
194
65.116
−8.316
48.268
1.00
60.38
O

ATOM
4435
OE2
GLU C
194
66.162
−6.407
48.822
1.00
62.72
O

ATOM
4436
C
GLU C
194
61.740
−4.508
46.934
1.00
49.50
C

ATOM
4437
O
GLU C
194
62.364
−3.741
46.224
1.00
49.56
O

ATOM
4438
N
ILE C
195
60.909
−4.093
47.884
1.00
48.67
N

ATOM
4439
CA
ILE C
195
60.929
−2.687
48.275
1.00
46.80
C

ATOM
4440
CB
ILE C
195
59.575
−2.197
48.664
1.00
46.11
C

ATOM
4441
CG1
ILE C
195
58.633
−2.425
47.506
1.00
45.23
C

ATOM
4442
CD1
ILE C
195
57.243
−2.109
47.843
1.00
46.05
C

ATOM
4443
CG2
ILE C
195
59.638
−0.683
48.973
1.00
46.33
C

ATOM
4444
C
ILE C
195
61.907
−2.533
49.413
1.00
46.32
C

ATOM
4445
O
ILE C
195
61.787
−3.187
50.437
1.00
46.85
O

ATOM
4446
N
SER C
196
62.822
−1.673
49.196
1.00
45.67
N

ATOM
4447
CA
SER C
196
63.959
−1.314
50.126
1.00
45.19
C

ATOM
4448
CB
SER C
196
65.146
−0.887
49.221
1.00
44.67
C

ATOM
4449
OG
SER C
196
66.384
−1.067
49.814
1.00
46.62
O

ATOM
4450
C
SER C
196
63.465
−0.101
50.923
1.00
44.73
C

ATOM
4451
O
SER C
196
63.364
1.018
50.381
1.00
46.01
O

ATOM
4452
N
ILE C
197
63.094
−0.277
52.180
1.00
44.56
N

ATOM
4453
CA
ILE C
197
62.530
0.881
52.964
1.00
44.38
C

ATOM
4454
CB
ILE C
197
61.317
0.502
53.847
1.00
43.47
C

ATOM
4455
CG1
ILE C
197
60.355
−0.412
53.075
1.00
44.02
C

ATOM
4456
CD1
ILE C
197
59.127
−0.845
58.859
1.00
44.28
C

ATOM
4457
CG2
ILE C
197
60.628
1.757
54.373
1.00
39.61
C

ATOM
4458
C
ILE C
197
63.584
1.565
53.887
1.00
45.45
C

ATOM
4459
O
ILE C
197
64.229
0.901
54.734
1.00
44.44
O

ATOM
4460
N
HIS C
198
63.735
2.875
53.689
1.00
45.98
N

ATOM
4461
CA
HIS C
198
64.522
3.770
54.564
1.00
46.98
C

ATOM
4462
CB
HIS C
198
65.342
4.758
53.709
1.00
47.54
C

ATOM
4463
CG
HIS C
198
66.525
4.117
53.032
1.00
51.03
C

ATOM
4464
ND1
HIS C
198
66.411
3.379
51.869
1.00
53.10
N

ATOM
4465
CE1
HIS C
198
67.607
2.933
51.514
1.00
53.17
C

ATOM
4466
NE2
HIS C
198
68.490
3.332
52.416
1.00
52.26
N

ATOM
4467
CD2
HIS C
198
67.842
4.075
53.379
1.00
51.87
C

ATOM
4468
C
HIS C
198
63.597
4.517
55.498
1.00
45.81
C

ATOM
4469
O
HIS C
198
62.736
5.244
55.030
1.00
46.64
O

ATOM
4470
N
ALA C
199
63.707
4.290
56.801
1.00
45.12
N

ATOM
4471
CA
ALA C
199
62.733
4.853
57.791
1.00
44.32
C

ATOM
4472
CB
ALA C
199
61.568
3.903
58.020
1.00
42.66
C

ATOM
4473
C
ALA C
199
63.378
5.224
59.123
1.00
44.28
C

ATOM
4474
O
ALA C
199
64.273
4.538
59.623
1.00
44.35
O

ATOM
4475
N
ASP C
200
62.955
6.346
59.677
1.00
44.58
N

ATOM
4476
CA
ASP C
200
63.426
6.762
60.995
1.00
43.72
C

ATOM
4477
CB
ASP C
200
64.186
8.074
60.936
1.00
43.41
C

ATOM
4478
CG
ASP C
200
65.442
7.970
60.163
1.00
45.88
C

ATOM
4479
OD1
ASP C
200
66.047
6.881
60.065
1.00
48.66
O

ATOM
4480
OD2
ASP C
200
65.839
9.017
59.646
1.00
51.23
O

ATOM
4481
C
ASP C
200
62.231
6.934
61.875
1.00
42.92
C

ATOM
4482
O
ASP C
200
61.289
7.578
61.500
1.00
42.34
O

ATOM
4483
N
PHE C
201
62.314
6.311
63.038
1.00
43.39
N

ATOM
4484
CA
PHE C
201
61.288
6.246
54.058
1.00
44.08
C

ATOM
4485
CB
PHE C
201
60.941
4.791
64.342
1.00
43.85
C

ATOM
4486
CG
PHE C
201
60.678
3.943
63.117
1.00
44.28
C

ATOM
4487
CD1
PHE C
201
50.411
3.819
65.291
1.00
45.71
C

ATOM
4488
CE1
PHE C
201
59.161
3.017
61.485
1.00
45.02
C

ATOM
4489
CZ
PHE C
201
60.159
2.307
60.909
1.00
45.36
C

ATOM
4490
CE2
PHE C
201
61.421
2.417
61.405
1.00
48.56
C

ATOM
4491
CD2
PHE C
201
61.676
3.233
62.528
1.00
46.48
C

ATOM
4492
C
PHE C
201
61.838
6.839
65.379
1.00
44.61
C

ATOM
4493
O
PHE C
201
62.910
6.458
65.799
1.00
44.66
O

ATOM
4494
N
GLU C
202
61.074
7.745
66.004
1.00
44.93
N

ATOM
4495
CA
GLU C
202
61.354
8.358
67.290
1.00
45.52
C

ATOM
4496
CB
GLU C
202
61.534
9.878
67.090
1.00
46.84
C

ATOM
4497
CG
GLU C
202
61.612
10.727
68.381
1.00
50.84
C

ATOM
4498
CD
GLU C
202
82.134
12.147
89.095
1.00
57.00
C

ATOM
4499
OE1
GLU C
202
61.864
13.076
68.902
1.00
56.71
C

ATOM
4500
OE2
GLU C
202
62.793
12.337
67.037
1.00
60.29
O

ATOM
4501
C
GLU C
202
60.198
8.077
68.271
1.00
44.64
C

ATOM
4502
O
GLU C
202
59.013
8.221
67.931
1.00
44.47
O

ATOM
4503
N
ASN C
203
60.539
7.689
69.492
1.00
43.40
N

ATOM
4504
CA
ASN C
203
59.533
7.403
70.512
1.00
41.28
C

ATOM
4505
CB
ASN C
203
59.389
5.888
70.708
1.00
40.25
C

ATOM
4506
CG
ASN C
203
58.491
5.510
71.920
1.00
39.48
C

ATOM
4507
OD1
ASN C
203
57.800
6.348
72.525
1.00
35.04
O

ATOM
4508
ND2
ASN C
203
58.485
4.233
72.246
1.00
34.76
N

ATOM
4509
C
ASN C
203
59.916
8.061
71.824
1.00
40.61
C

ATOM
4510
O
ASN C
203
60.814
7.552
72.521
1.00
40.70
O

ATOM
4511
N
THR C
204
59.277
9.186
72.149
1.00
39.31
N

ATOM
4512
CA
THR C
204
59.465
9.626
73.472
1.00
39.28
C

ATOM
4513
CB
THR C
204
59.634
11.359
73.359
1.00
38.80
C

ATOM
4514
OG1
THR C
204
58.498
11.899
72.672
1.00
41.18
O

ATOM
4515
CG2
THR C
204
60.881
11.719
72.614
1.00
36.44
C

ATOM
4516
C
THR C
204
58.272
9.553
74.406
1.00
39.70
C

ATOM
4517
O
THR C
204
58.042
10.257
75.388
1.00
39.06
O

ATOM
4518
N
SER C
205
57.480
8.551
74.047
1.00
40.53
N

ATOM
4519
CA
SER C
205
56.273
8.317
74.805
1.00
41.47
C

ATOM
4520
CB
SER C
205
55.277
7.705
73.876
1.00
40.65
C

ATOM
4521
OG
SER C
205
55.449
6.297
73.931
1.00
41.44
O

ATOM
4522
C
SER C
205
56.659
7.306
75.877
1.00
42.89
C

ATOM
4523
O
SER C
205
57.821
6.904
75.959
1.00
43.50
O

ATOM
4524
N
SER C
206
55.705
6.871
76.693
1.00
43.94
N

ATOM
4525
CA
SER C
206
56.042
5.970
77.781
1.00
45.02
C

ATOM
4526
CB
SER C
206
55.173
6.262
78.980
1.00
44.69
C

ATOM
4527
OG
SER C
206
53.926
5.696
78.720
1.00
46.69
O

ATOM
4528
C
SER C
206
55.850
4.525
77.365
1.00
46.30
C

ATOM
4529
O
SER C
206
56.159
3.593
78.135
1.00
46.51
O

ATOM
4530
N
ARG C
207
55.332
4.312
76.152
1.00
47.23
N

ATOM
4531
CA
ARG C
207
55.176
2.943
75.716
1.00
48.05
C

ATOM
4532
CB
ARG C
207
53.863
2.667
74.984
1.00
48.63
C

ATOM
4533
CG
ARG C
207
52.989
3.823
74.700
1.00
50.40
C

ATOM
4534
CD
ARG C
207
51.889
3.912
75.737
1.00
55.06
C

ATOM
4535
NE
ARG C
207
51.755
5.336
76.066
1.00
60.93
N

ATOM
4536
CZ
ARG C
207
50.717
5.917
76.652
1.00
62.89
C

ATOM
4537
NH1
ARG C
207
49.653
5.197
77.002
1.00
61.37
N

ATOM
4538
NH2
ARG C
207
50.760
7.229
76.877
1.00
63.82
N

ATOM
4539
C
ARG C
207
56.634
2.433
74.923
1.00
47.90
C

ATOM
4540
O
ARG C
207
57.205
3.208
74.492
1.00
47.89
O

ATOM
4541
N
ILE C
208
56.418
1.108
74.802
1.00
46.88
N

ATOM
4542
CA
ILE C
208
57.261
0.425
73.888
1.00
45.85
C

ATOM
4543
CB
ILE C
208
57.582
−0.942
74.420
1.00
46.24
C

ATOM
4544
CG1
ILE C
208
58.462
−0.823
75.678
1.00
45.23
C

ATOM
4545
CD1
ILE C
208
58.558
−2.110
78.489
1.00
48.82
C

ATOM
4546
CG2
ILE C
208
58.098
−1.827
73.274
1.00
44.11
C

ATOM
4547
C
ILE C
208
58.453
0.237
72.630
1.00
45.66
C

ATOM
4548
O
ILE C
208
55.376
−0.335
72.660
1.00
46.72
O

ATOM
4549
N
VAL C
209
56.983
0.707
71.513
1.00
44.53
N

ATOM
4550
CA
VAL C
209
56.253
0.746
70.264
1.00
42.19
C

ATOM
4551
CB
VAL C
209
56.167
2.196
69.751
1.00
41.96
C

ATOM
4552
CG1
VAL C
209
55.361
3.076
70.754
1.00
38.46
C

ATOM
4553
CG2
VAL C
209
57.546
2.773
69.495
1.00
38.21
C

ATOM
4554
C
VAL C
209
56.938
−0.166
69.281
1.00
43.21
C

ATOM
4555
O
VAL C
209
58.109
−0.511
69.437
1.00
44.88
O

ATOM
4556
N
VAL C
210
56.201
−0.607
68.287
1.00
43.47
N

ATOM
4557
CA
VAL C
210
56.697
−1.583
67.352
1.00
43.25
C

ATOM
4558
CB
VAL C
210
55.976
−2.897
67.540
1.00
42.44
C

ATOM
4559
CG1
VAL C
210
56.597
−3.962
66.609
1.00
42.23
C

ATOM
4560
CG2
VAL C
210
56.010
−3.288
66.962
1.00
39.19
C

ATOM
4561
C
VAL C
210
56.441
−1.107
65.907
1.00
44.59
C

ATOM
4562
O
VAL C
210
55.274
−1.055
65.462
1.00
45.48
O

ATOM
4563
N
PRO C
211
57.520
−0.796
55.167
1.00
44.90
N

ATOM
4564
CA
PRO C
211
57.366
−0.398
63.765
1.00
45.33
C

ATOM
4565
CB
PRO C
211
58.691
0.263
63.448
1.00
44.78
C

ATOM
4566
CG
PRO C
211
59.697
−0.490
64.332
1.00
44.36
C

ATOM
4567
CD
PRO C
211
58.942
−0.880
85.579
1.00
44.68
C

ATOM
4568
C
PRO C
211
57.153
−1.660
62.888
1.00
46.23
C

ATOM
4569
O
PRO C
211
57.789
−2.689
63.119
1.00
46.87
O

ATOM
4570
N
LYS C
212
56.261
−1.556
61.902
1.00
45.95
N

ATOM
4571
CA
LYS C
212
55.876
−2.640
61.042
1.00
44.21
C

ATOM
4572
CB
LYS C
212
54.558
−3.114
61.479
1.00
43.29
C

ATOM
4573
CG
LYS C
212
54.682
−3.753
62.785
1.00
43.68
C

ATOM
4574
CD
LYS C
212
53.449
−4.600
63.019
1.00
40.46
N

ATOM
4575
CE
LYS C
212
53.530
−5.077
64.392
1.00
41.34
C

ATOM
4576
NZ
LYS C
212
52.143
−5.015
64.816
1.00
47.57
N

ATOM
4577
C
LYS C
212
55.722
2.050
59.663
1.00
44.45
C

ATOM
4578
O
LYS C
212
55.535
−0.860
59.598
1.00
44.99
O

ATOM
4579
N
ALA C
213
55.831
−2.856
58.617
1.00
44.60
N

ATOM
4580
CA
ALA C
213
55.402
−2.426
57.277
1.00
44.31
C

ATOM
4581
CB
ALA C
213
56.521
−1.811
56.485
1.00
44.08
C

ATOM
4582
C
ALA C
213
54.743
−3.566
56.539
1.00
44.07
C

ATOM
4583
O
ALA C
213
54.812
−4.659
56.996
1.00
44.68
O

ATOM
4584
N
ALA C
214
54.065
−3.291
55.426
1.00
44.23
N

ATOM
4585
CA
ALA C
214
53.143
−4.245
54.776
1.00
43.54
C

ATOM
4586
CB
ALA C
214
51.890
−4.508
55.636
1.00
43.49
C

ATOM
4587
C
ALA C
214
52.687
−3.689
53.472
1.00
42.97
O

ATOM
4588
O
ALA C
214
52.396
−2.509
53.344
1.00
42.50
O

ATOM
4589
N
ILE C
215
52.623
−4.565
52.491
1.00
43.46
N

ATOM
4590
CA
ILE C
215
51.959
−4.219
51.258
1.00
43.64
C

ATOM
4591
CB
ILE C
215
52.577
−4.968
50.088
1.00
43.39
C

ATOM
4592
CG1
ILE C
215
54.015
−4.487
49.864
1.00
42.60
C

ATOM
4593
CD1
ILE C
215
54.723
−5.190
48.699
1.00
44.17
C

ATOM
4594
CG2
ILE C
215
51.760
−4.749
48.869
1.00
42.66
C

ATOM
4595
C
ILE C
215
50.491
−4.543
51.390
1.00
43.34
C

ATOM
4596
O
ILE C
215
50.124
−5.667
51.701
1.00
44.24
O

ATOM
4597
N
VAL C
216
49.627
−3.590
51.173
1.00
43.21
N

ATOM
4598
CA
VAL C
216
48.230
−3.975
51.156
1.00
44.20
C

ATOM
4599
CB
VAL C
216
47.519
−3.334
52.271
1.00
45.16
C

ATOM
4600
CG1
VAL C
216
46.001
−3.514
52.087
1.00
47.14
C

ATOM
4601
CG2
VAL C
216
46.003
−3.986
53.579
1.00
43.68
C

ATOM
4602
C
VAL C
216
47.529
−3.734
49.821
1.00
44.44
C

ATOM
4603
O
VAL C
216
47.680
−2.671
49.220
1.00
44.89
O

ATOM
4604
N
ALA C
217
46.779
−4.731
49.344
1.00
44.91
N

ATOM
4605
CA
ALA C
217
46.152
−4.663
47.998
1.00
44.85
C

ATOM
4606
CB
ALA C
217
46.485
−5.927
47.183
1.00
45.61
C

ATOM
4607
C
ALA C
217
44.665
−4.503
48.068
1.00
44.69
C

ATOM
4608
O
ALA C
217
43.998
−5.242
48.768
1.00
45.11
O

ATOM
4609
N
ARG C
218
44.116
−3.544
47.351
1.00
45.19
N

ATOM
4610
CA
ARG C
218
42.639
−3.507
47.214
1.00
45.93
C

ATOM
4611
CB
ARG C
218
42.101
−2.144
47.585
1.00
46.35
C

ATOM
4612
CG
ARG C
218
42.546
−1.734
48.987
1.00
53.22
C

ATOM
4613
CD
ARG C
218
42.504
−0.207
49.253
1.00
61.86
C

ATOM
4614
NE
ARG C
218
43.509
0.577
48.482
1.00
69.77
N

ATOM
4615
CZ
ARG C
218
44.722
0.959
48.921
1.00
69.28
C

ATOM
4616
NH1
ARG C
218
45.146
0.616
50.140
1.00
69.55
N

ATOM
4617
NH2
ARG C
218
45.507
1.692
48.132
1.00
66.20
N

ATOM
4618
C
ARG C
218
42.179
−3.958
45.835
1.00
44.29
C

ATOM
4619
O
ARG C
218
42.470
−3.323
44.837
1.00
43.71
O

ATOM
4620
N
HIS C
219
41.537
−5.133
45.799
1.00
43.27
N

ATOM
4621
CA
HIS C
219
41.004
−5.722
44.561
1.00
42.59
C

ATOM
4622
CB
HIS C
219
41.024
−7.264
44.611
1.00
41.06
C

ATOM
4623
CG
HIS C
219
42.376
−7.822
44.910
1.00
38.58
C

ATOM
4624
ND1
HIS C
219
42.879
7.897
46.198
1.00
39.18
N

ATOM
4625
CE1
HIS C
219
44.106
−8.330
46.165
1.00
35.06
C

ATOM
4626
NE2
HIS C
219
44.417
−8.624
44.906
1.00
37.17
N

ATOM
4627
CD2
HIS C
219
43.347
−8.298
44.099
1.00
35.37
C

ATOM
4628
C
HIS C
219
39.583
−5.230
44.327
1.00
42.49
C

ATOM
4629
O
HIS C
219
38.758
−5.434
45.202
1.00
41.67
O

ATOM
4630
N
THR C
220
39.334
−4.564
43.185
1.00
42.83
N

ATOM
4631
CA
THR C
220
37.994
−4.080
42.849
1.00
44.06
C

ATOM
4632
CB
THR C
220
37.957
−2.759
42.153
1.00
42.80
C

ATOM
4633
OG1
THR C
220
38.396
−1.751
43.056
1.00
43.64
O

ATOM
4634
CG2
THR C
220
36.584
−2.444
41.830
1.00
41.01
C

ATOM
4635
C
THR C
220
37.408
−5.050
41.904
1.00
45.80
C

ATOM
4636
O
THR C
220
38.037
−5.428
40.926
1.00
46.40
O

ATOM
4637
N
TYR C
221
36.224
−5.557
42.199
1.00
47.19
N

ATOM
4638
CA
TYR C
221
35.740
−6.596
41.331
1.00
49.61
C

ATOM
4639
CB
TYR C
221
36.249
−7.955
41.823
1.00
49.09
C

ATOM
4640
CG
TYR C
221
35.563
−8.311
43.091
1.00
51.70
C

ATOM
4641
CD1
TYR C
221
35.957
−7.741
44.315
1.00
51.15
C

ATOM
4642
CE1
TYR C
221
35.274
−8.050
45.498
1.00
51.84
C

ATOM
4643
CZ
TYR C
221
34.174
−8.942
45.447
1.00
52.54
C

ATOM
4644
OH
TYR C
221
33.473
−9.298
46.578
1.00
52.79
O

ATOM
4645
CE2
TYR C
221
33.750
−9.485
44.247
1.00
52.12
O

ATOM
4646
CD2
TYR C
221
34.430
−9.153
43.068
1.00
53.64
C

ATOM
4647
C
TYR C
221
34.239
−6.497
41.286
1.00
50.27
C

ATOM
4648
O
TYR C
221
33.662
−5.772
42.105
1.00
50.77
O

ATOM
4649
N
LEU C
222
33.624
−7.196
40.329
1.00
52.48
N

ATOM
4650
CA
LEU C
222
32.134
−7.197
40.096
1.00
54.33
C

ATOM
4651
CB
LEU C
222
31.745
−7.110
38.609
1.00
52.92
C

ATOM
4652
CG
LEU C
222
32.235
−5.887
37.833
1.00
54.46
C

ATOM
4653
CD1
LEU C
222
31.891
−5.918
38.355
1.00
55.19
C

ATOM
4654
CD2
LEU C
222
31.821
−4.510
38.432
1.00
56.30
C

ATOM
4655
C
LEU C
222
31.508
−8.343
40.692
1.00
58.00
C

ATOM
4656
O
LEU C
222
31.706
−9.559
40.218
1.00
55.88
O

ATOM
4657
N
ALA C
223
30.801
−8.226
41.789
1.00
58.93
N

ATOM
4658
CA
ALA C
223
29.907
−9.246
42.296
1.00
62.24
C

ATOM
4659
CB
ALA C
223
30.144
−9.543
43.771
1.00
61.93
C

ATOM
4660
C
ALA C
223
28.622
−8.516
42.079
1.00
64.48
C

ATOM
4661
O
ALA C
223
28.631
−7.372
41.567
1.00
64.70
O

ATOM
4662
N
ASN C
224
27.519
−9.140
42.461
1.00
66.66
N

ATOM
4663
CA
ASN C
224
26.257
−8.645
41.963
1.00
68.87
C

ATOM
4664
CB
ASN C
224
25.603
−9.745
41.145
1.00
69.51
C

ATOM
4665
CG
ASN C
224
26.641
−10.577
40.427
1.00
72.44
C

ATOM
4666
OD1
ASN C
224
27.447
−10.031
39.643
1.00
76.08
O

ATOM
4667
ND2
ASN C
224
26.689
−11.887
40.739
1.00
73.69
N

ATOM
4668
C
ASN C
224
25.306
−7.964
42.960
1.00
69.51
C

ATOM
4669
O
ASN C
224
25.154
−8.390
44.131
1.00
70.27
O

ATOM
4670
N
GLY C
225
24.701
−6.870
42.480
1.00
69.52
N

ATOM
4671
CA
GLY C
225
25.032
−6.325
41.149
1.00
67.80
C

ATOM
4672
C
GLY C
225
25.932
−5.163
41.445
1.00
66.84
C

ATOM
4673
O
GLY C
225
25.543
−4.012
41.307
1.00
67.25
O

ATOM
4674
N
GLN C
226
27.123
−5.442
41.932
1.00
65.63
N

ATOM
4675
CA
GLN C
226
27.937
−4.331
42.363
1.00
64.81
C

ATOM
4676
CB
GLN C
226
27.638
−3.936
43.837
1.00
65.59
C

ATOM
4677
CG
GLN C
226
26.720
−4.943
44.682
1.00
66.80
C

ATOM
4678
CD
GLN C
226
26.709
−4.680
46.225
1.00
66.22
C

ATOM
4679
OE1
GLN C
226
26.078
−5.425
46.996
1.00
66.98
O

ATOM
4680
NE2
GLN C
226
27.401
−3.634
46.658
1.00
64.96
N

ATOM
4681
C
GLN C
226
29.429
−4.457
42.083
1.00
63.90
C

ATOM
4682
O
GLN C
226
29.960
−5.504
41.676
1.00
62.64
O

ATOM
4683
N
THR C
227
30.062
−3.311
42.238
1.00
63.36
N

ATOM
4684
CA
THR C
227
31.487
−3.201
42.313
1.00
63.45
C

ATOM
4685
CB
THR C
227
31.882
−1.787
41.916
1.00
63.34
C

ATOM
4686
OG1
THR C
227
31.143
−1.416
40.754
1.00
65.96
O

ATOM
4687
CG2
THR C
727
33.354
−1.694
41.618
1.00
63.33
C

ATOM
4688
C
THR C
227
31.791
−3.353
43.797
1.00
62.64
C

ATOM
4689
O
THR C
227
31.435
−2.455
44.588
1.00
62.89
O

ATOM
4690
N
LYS C
228
32.408
−4.467
44.198
1.00
60.68
N

ATOM
4691
CA
LYS C
228
32.882
−4.561
45.608
1.00
59.23
C

ATOM
4692
CB
LYS C
228
32.417
5.871
46.285
1.00
59.22
C

ATOM
4693
CG
LYS C
228
31.045
−6.335
45.784
1.00
60.04
C

ATOM
4694
CD
LYS C
228
30.551
−7.519
46.559
1.00
62.29
C

ATOM
4695
CE
LYS C
228
29.487
−7.192
47.534
1.00
66.59
C

ATOM
4696
NZ
LYS C
228
29.382
−8.059
48.702
1.00
71.19
N

ATOM
4697
C
LYS C
228
34.408
−4.297
45.711
1.00
56.88
C

ATOM
4698
O
LYS C
228
35.059
−4.066
44.691
1.00
57.42
O

ATOM
4699
N
VAL C
229
34.962
−4.261
46.917
1.00
53.70
N

ATOM
4700
CA
VAL C
229
36.401
−4.090
47.090
1.00
51.04
C

ATOM
4701
CB
VAL C
229
36.774
−2.679
47.617
1.00
51.14
C

ATOM
4702
CG1
VAL C
279
38.086
−2.680
48.388
1.00
50.25
C

ATOM
4703
CG2
VAL C
279
36.841
−1.676
46.480
1.00
49.37
C

ATOM
4704
C
VAL C
229
36.855
−5.138
48.057
1.00
49.71
C

ATOM
4705
O
VAL C
229
36.364
−5.145
49.156
1.00
50.46
O

ATOM
4706
N
LEU C
230
37.756
−6.034
47.646
1.00
47.76
N

ATOM
4707
CA
LEU C
230
38.394
−6.978
48.561
1.00
45.96
C

ATOM
4708
CB
LEU C
230
38.473
−8.372
47.950
1.00
44.87
C

ATOM
4709
CG
LEU C
230
39.492
−9.223
48.725
1.00
44.92
C

ATOM
4710
OD1
LEU C
230
38.942
−9.611
50.054
1.00
46.17
C

ATOM
4711
CD2
LEU C
230
39.959
−10.454
48.029
1.00
43.74
C

ATOM
4712
C
LEU C
230
39.811
−6.477
48.911
1.00
44.80
C

ATOM
4713
O
LEU C
230
40.586
−6.214
48.033
1.00
46.13
O

ATOM
4714
N
THR C
231
40.130
−6.389
50.188
1.00
43.16
N

ATOM
4715
CA
THR C
231
41.419
−5.944
50.717
1.00
42.18
C

ATOM
4716
CB
THR C
231
41.192
−4.839
51.768
1.00
41.73
C

ATOM
4717
OG1
THR C
231
40.618
−3.698
51.130
1.00
41.34
O

ATOM
4718
CG2
THR C
231
42.440
−4.413
52.329
1.00
41.04
C

ATOM
4719
C
THR C
231
42.230
−7.098
51.344
1.00
42.34
C

ATOM
4720
O
THR C
231
41.720
−7.982
52.022
1.00
42.53
O

ATOM
4721
N
GLN C
232
43.516
−7.095
51.099
1.00
43.01
N

ATOM
4722
CA
GLN C
232
44.341
−8.223
51.405
1.00
44.35
C

ATOM
4723
CB
GLN C
232
44.489
−9.042
50.126
1.00
44.22
C

ATOM
4724
CG
GLN C
232
44.660
−10.512
50.307
1.00
49.24
C

ATOM
4725
CD
GLN C
232
45.181
−11.223
49.023
1.00
56.59
C

ATOM
4726
OE1
GLN C
232
45.003
−10.740
47.893
1.00
58.58
O

ATOM
4727
NE2
GLN C
232
45.826
−12.383
49.206
1.00
57.96
N

ATOM
4728
C
GLN C
232
45.700
−7.687
51.852
1.00
44.63
C

ATOM
4729
O
GLN C
232
46.335
−6.859
51.154
1.00
45.29
O

ATOM
4730
N
LYS C
233
46.143
−8.132
53.016
1.00
45.00
N

ATOM
4731
CA
LYS C
233
47.497
−7.903
53.433
1.00
45.76
C

ATOM
4732
CB
LYS C
233
47.817
−7.968
54.926
1.00
46.53
C

ATOM
4733
CG
LYS C
233
49.093
−7.855
55.432
1.00
48.93
C

ATOM
4734
CD
LYS C
233
49.115
−7.643
56.944
1.00
49.37
C

ATOM
4735
CE
LYS C
233
50.052
−8.641
57.560
1.00
48.87
C

ATOM
4736
NZ
LYS C
233
49.688
−8.680
58.994
1.00
52.67
N

ATOM
4737
C
LYS C
233
48.399
−8.949
52.784
1.00
46.25
C

ATOM
4738
O
LYS C
233
48.229
−10.171
52.949
1.00
46.23
O

ATOM
4739
N
LEU C
234
49.379
−8.450
52.067
1.00
45.84
N

ATOM
4740
CA
LEU C
234
50.015
−9.253
51.101
1.00
46.35
C

ATOM
4741
CB
LEU C
234
50.031
−8.505
49.785
1.00
44.59
C

ATOM
4742
CG
LEU C
234
49.081
−8.811
48.632
1.00
43.25
C

ATOM
4743
CD1
LEU C
234
49.633
−8.093
47.419
1.00
36.40
C

ATOM
4744
CD2
LEU C
234
49.011
−10.366
48.402
1.00
41.22
C

ATOM
4745
C
LEU C
234
51.463
−9.481
51.372
1.00
48.91
C

ATOM
4746
O
LEU C
234
52.135
−9.833
50.424
1.00
52.62
O

ATOM
4747
N
SER C
235
51.997
−9.279
52.575
1.00
48.16
N

ATOM
4748
CA
SER C
235
53.440
−9.319
52.678
1.00
47.0
C

ATOM
4749
CB
SER C
235
54.040
−8.839
51.356
1.00
46.55
C

ATOM
4750
OG
SER C
235
55.471
−9.053
51.290
1.00
41.07
O

ATOM
4751
C
SER C
235
53.876
−8.281
53.652
1.00
48.65
C

ATOM
4757
O
SER C
235
53.578
−7.086
53.424
1.00
49.57
O

ATOM
4753
N
SER C
236
54.585
−8.682
54.710
1.00
48.39
N

ATOM
4754
CA
SER C
236
54.945
−7.698
55.734
1.00
49.35
C

ATOM
4755
CB
SER C
236
53.778
−7.388
56.647
1.00
48.07
C

ATOM
4756
OG
SER C
236
53.332
−8.569
57.230
1.00
49 06
O

ATOM
4757
C
SER C
236
56.184
−8.023
56.548
1.00
49.92
C

ATOM
4758
O
SER C
236
56.782
−9.106
56.402
1.00
49.78
O

ATOM
4759
N
VAL C
237
56.590
−7.031
57.340
1.00
50.81
N

ATOM
4760
CA
VAL C
237
57.788
−7.086
58.149
1.00
52.16
C

ATOM
4761
CB
VAL C
237
59.042
−0.409
57.473
1.00
51.76
C

ATOM
4762
CG1
VAL C
237
59.593
−7.390
56.440
1.00
53.23
C

ATOM
4763
CG2
VAL C
237
58.746
−5.168
56.850
1.00
51.13
C

ATOM
4764
C
VAL C
237
57.558
−6.423
59.463
1.00
53.29
C

A TOM
4765
O
VAL C
237
56.628
−5.616
59.648
1.00
53.07
O

ATOM
4766
N
ARG C
238
58.432
−6.792
60.380
1.00
54.86
N

ATOM
4767
CA
ARG C
238
58.325
−6.375
61.763
1.00
56.82
C

ATOM
4768
CB
ARG C
238
57.841
−7.578
62.575
1.00
57.74
C

ATOM
4769
CG
ARG C
238
57.349
−7.224
63.962
1.00
62.19
C

ATOM
4772
CD
ARG C
238
57.255
−8.483
64.795
1.00
68.29
C

ATOM
4771
NE
ARG C
238
56.974
−8.162
66.186
1.00
73.99
N

ATOM
4772
CZ
ARG C
238
57.891
−7.728
67.062
1.00
77.70
C

ATOM
4773
NH1
ARG C
238
59.176
−7.555
66.690
1.00
76.06
N

ATOM
4774
NH2
ARG C
238
57.510
−7.462
68.324
1.00
78.36
N

ATOM
4775
C
ARG C
238
59.714
−5.966
62.231
1.00
56.04
C

ATOM
4776
O
ARG C
238
60.644
−6.778
62.164
1.00
56.69
O

ATOM
4777
N
GLY C
239
59.884
−4.721
62.664
1.00
55.34
N

ATOM
4778
CA
GLY C
239
61.179
−4.281
63.172
1.00
53.79
C

ATOM
4779
C
GLY C
239
61.301
−4.685
64.628
1.00
53.44
C

ATOM
4780
O
GLY C
239
60.401
−5.284
65.179
1.00
53.78
O

ATOM
4781
N
ASN C
240
62.426
−4.366
65.245
1.00
52.98
N

ATOM
4782
CA
ASN C
240
62.570
−4.367
66.694
1.00
52.84
C

ATOM
4783
CB
ASN C
240
63.978
3.946
66.962
1.00
53.76
O

ATOM
4784
CG
ASN C
240
64.920
−4.985
66.643
1.00
56.63
C

ATOM
4785
OD1
ASN C
240
64.612
−6.184
66.823
1.00
61.48
O

ATOM
4786
ND2
ASN C
240
66.112
−4.579
66.190
1.00
57.05
N

ATOM
4787
C
ASN C
240
61.723
−3.409
67.536
1.00
51.35
C

ATOM
4788
O
ASN C
240
61.616
−2.246
67.174
1.00
50.97
O

ATOM
4789
N
HIS C
241
61.215
−3.894
68.680
1.00
50.29
N

ATOM
4790
CA
HIS C
241
60.539
−3.081
69.709
1.00
50.41
C

ATOM
4791
CB
HIS C
241
60.493
−3.821
71.069
1.00
51.94
C

ATOM
4792
CG
HIS C
241
59.616
−5.048
71.100
1.00
58.76
C

ATOM
4793
ND1
HIS C
241
58.605
−5.222
72.029
1.00
64.79
N

ATOM
4794
CE1
HIS C
241
58.014
−6.390
71.838
1.00
64.41
C

ATOM
4795
NE2
HIS C
241
58.610
−6.991
70.822
1.00
64.29
N

ATOM
4796
CD2
HIS C
241
59.618
−6.179
70.346
1.00
63.33
C

ATOM
4797
C
HIS C
241
61.376
−1.807
69.894
1.00
48.60
C

ATOM
4798
O
HIS C
241
62.585
−1.902
70.079
1.00
48.63
O

ATOM
4799
N
ILE C
242
60.776
−0.630
69.812
1.00
46.01
N

ATOM
4800
CA
ILE C
242
61.532
0.581
70.104
1.00
44.85
C

ATOM
4801
CB
ILE C
242
61.235
1.720
89.113
1.00
45.55
C

ATOM
4802
CG1
ILE C
242
61.639
1.324
67.680
1.00
46.33
C

ATOM
4803
CD1
ILE C
242
60.949
2.140
68.625
1.00
43.63
C

ATOM
4804
CG2
ILE C
242
61.936
3.022
69.548
1.00
43.08
C

ATOM
4805
C
ILE C
242
61.137
1.062
71.478
1.00
44.00
C

ATOM
4806
O
ILE C
242
59.970
1.375
71.710
1.00
43.93
O

ATOM
4807
N
ILE C
243
62.090
1.101
72.406
1.00
42.69
N

ATOM
4808
CA
ILE C
243
61.718
1.375
73.797
1.00
40.40
C

ATOM
4809
CB
ILE C
243
62.702
0.786
74.869
1.00
40.16
C

ATOM
4810
CG1
ILE C
243
63.940
1.688
75.062
1.00
37.19
C

ATOM
4811
CD1
ILE C
243
64.850
1.264
75.739
1.00
34.71
C

ATOM
4812
CG2
ILE C
243
62.948
−0.717
74.670
1.00
36.37
C

ATOM
4813
C
ILE C
243
61.620
2.849
74.032
1.00
41.15
C

ATOM
4814
O
ILE C
243
62.237
3.661
73.324
1.00
40.83
O

ATOM
4815
N
SER C
244
60.883
3.184
75.088
1.00
41.65
N

ATOM
4816
CA
SER C
244
60.655
4.566
75.474
1.00
40.97
C

ATOM
4817
CB
SER C
244
59.958
4.600
76.796
1.00
40.81
C

ATOM
4818
OG
SER C
244
59.921
5.950
77.189
1.00
44.29
O

ATOM
4819
C
SER C
244
61.935
5.361
75.573
1.00
40.42
C

ATOM
4820
O
SER C
244
62.926
4.891
76.060
1.00
40.12
O

ATOM
4821
N
GLY C
245
61.917
6.567
75.055
1.00
41.10
N

ATOM
4822
CA
GLY C
245
63.105
7.415
75.037
1.00
41.74
C

ATOM
4823
C
GLY C
245
64.193
7.035
74.048
1.00
42.59
C

ATOM
4824
O
GLY C
245
65.370
7.155
73.394
1.00
43.02
O

ATOM
4825
N
THR C
246
63.833
6.600
72.838
1.00
42.49
N

ATOM
4826
CA
THR C
246
64.824
6.288
71.835
1.00
43.97
C

ATOM
4827
CB
THR C
246
65.368
4.831
71.926
1.00
44.66
C

ATOM
4828
OG1
THR C
246
64.401
3.934
71.406
1.00
46.09
O

ATOM
4829
CG2
THR C
246
65.694
4.405
73.328
1.00
43.95
C

ATOM
4830
C
THR C
246
64.332
6.459
70.410
1.00
45.44
C

ATOM
4831
O
THR C
246
63.114
6.624
70.141
1.00
45.91
O

ATOM
4832
N
CYS C
247
65.284
6.397
69.488
1.00
46.25
N

ATOM
4833
CA
CYS C
247
64.999
6.430
68.073
1.00
47.43
C

ATOM
4834
CB
CYS C
247
65.569
7.688
67.419
1.00
47.76
C

ATOM
4835
SG
CYS C
247
65.096
9.272
68.207
1.00
51.78
S

ATOM
4836
C
CYS C
247
65.643
5.207
67.483
1.00
48.16
C

ATOM
4837
O
CYS C
247
66.445
4.534
68.151
1.00
49.38
O

ATOM
4838
N
ALA C
248
65.278
4.895
66.245
1.00
48.62
N

ATOM
4839
CA
ALA C
248
65.821
3.719
65.539
1.00
48.92
C

ATOM
4840
CB
ALA C
248
65.156
2.439
66.027
1.00
48.39
C

ATOM
4841
C
ALA C
248
65.611
3.946
64.037
1.00
49.09
C

ATOM
4842
O
ALA C
248
64.826
4.804
63.672
1.00
48.80
O

ATOM
4843
N
SER C
249
66.318
3.228
63.166
1.00
49.31
N

ATOM
4844
CA
SER C
249
66.210
3.513
61.743
1.00
49.99
C

ATOM
4845
CB
SER C
249
67.380
4.342
61.293
1.00
50.10
C

ATOM
4846
OG
SER C
249
67.508
5.493
62.070
1.00
52.54
O

ATOM
4847
C
SER C
249
66.277
2.293
60.887
1.00
50.63
C

ATOM
4848
O
SER C
249
67.710
1.462
61.081
1.00
52.68
O

ATOM
4849
N
TRP C
250
65.422
2.203
59.870
1.00
49.69
N

ATOM
4850
CA
TRP C
250
65.634
1.188
58.839
1.00
48.02
C

ATOM
4851
CB
TRP C
250
64.301
0.698
58.311
1.00
48.07
C

ATOM
4852
CG
TRP C
250
63.487
−0.047
59.291
1.00
46.88
C

ATOM
4853
CD1
TRP C
250
63.883
−0.510
60.508
1.00
45.00
C

ATOM
4854
NE1
TRP C
250
62.855
−1.189
61.107
1.00
44.90
N

ATOM
4855
CE2
TRP C
250
61.774
−1.191
60.270
1.00
44.86
C

ATOM
4856
CD2
TRP C
250
62.132
−0.477
59.120
1.00
45.66
C

ATOM
4857
CE3
TRP C
250
61.182
−0.313
58.106
1.00
43.95
C

ATOM
4858
CZ3
TRP C
250
59.924
−0.857
58.267
1.00
41.26
C

ATOM
4859
CH2
TRP C
250
59.580
−1.540
59.431
1.00
44.14
C

ATOM
4860
CZ2
TRP C
250
60.495
−1.124
60.446
1.00
46.44
C

ATOM
4861
C
TRP C
250
66.500
1.725
57.714
1.00
47.72
C

ATOM
4862
O
TRP C
250
66.226
2.778
57.153
1.00
46.73
O

ATOM
4863
N
ARG C
251
67.582
1.025
57.413
1.00
48.77
N

ATOM
4864
CA
ARG C
251
68.484
1.483
56.334
1.00
49.88
C

ATOM
4865
CB
ARG C
251
69.938
1.517
56.771
1.00
48.50
C

ATOM
4866
CG
ARG C
251
70.216
2.543
57.859
1.00
50.60
C

ATOM
4867
CD
ARG C
251
71.684
2.488
58.435
1.00
53.75
C

ATOM
4868
NE
ARG C
251
71.800
2.975
59.824
1.00
57.92
N

ATOM
4869
CZ
ARG C
251
71.765
4.267
60.215
1.00
59.30
C

ATOM
4870
NH1
ARG C
251
71.611
5.273
59.335
1.00
52.63
N

ATOM
4871
NH2
ARG C
251
71.867
4.547
61.518
1.00
60.77
N

ATOM
4872
C
ARG C
251
68.312
0.537
55.171
1.00
50.89
C

ATOM
4873
O
ARG C
251
69.152
−0.336
54.895
1.00
51.20
O

ATOM
4874
N
GLY C
252
67.170
0.668
54.512
1.00
51.17
N

ATOM
4875
CA
GLY C
252
66.878
−0.233
53.402
1.00
51.21
C

ATOM
4876
C
GLY C
252
66.387
−1.600
53.839
1.00
50.63
C

ATOM
4877
O
GLY C
252
66.753
−2.605
53.248
1.00
50.88
O

ATOM
4878
N
LYS C
253
65.529
−1.627
54.854
1.00
50.62
N

ATOM
4879
CA
LYS C
253
64.816
−2.843
55.253
1.00
50.68
C

ATOM
4880
CB
LYS C
253
63.942
−2.557
56.492
1.00
50.42
C

ATOM
4881
CG
LYS C
253
62.904
−3.619
56.940
1.00
52.13
C

ATOM
4882
CD
LYS C
253
63.432
−4.762
57.894
1.00
56.71
C

ATOM
4883
CE
LYS C
253
63.502
−4.404
59.386
1.00
57.46
C

ATOM
4884
NZ
LYS C
253
64.935
−4.185
59.875
1.00
59.11
N

ATOM
4885
C
LYS C
253
64.008
−3.260
54.019
1.00
51.14
C

ATOM
4886
O
LYS C
253
63.291
−2.447
53.390
1.00
51.10
O

ATOM
4887
N
SER C
254
64.160
−4.509
53.630
1.00
50.23
N

ATOM
4888
CA
SER C
254
63.662
−4.863
52.365
1.00
50.10
C

ATOM
4889
CB
SER C
254
64.747
−5.625
51.627
1.00
50.46
C

ATOM
4890
OG
SER C
254
64.322
−6.947
51.430
1.00
53.18
O

ATOM
4891
C
SER C
254
62.341
−5.637
52.492
1.00
49.93
C

ATOM
4892
O
SER C
254
62.088
−6.278
53.513
1.00
49.11
O

ATOM
4893
N
LEU C
255
61.505
−5.570
51.451
1.00
49.73
N

ATOM
4894
CA
LEU C
255
60.162
−6.139
51.485
1.00
49.91
C

ATOM
4895
CB
LEU C
255
59.184
−5.107
52.010
1.00
49.21
C

ATOM
4896
CG
LEU C
255
57.700
−5.417
52.001
1.00
49.21
C

ATOM
4897
CD1
LEU C
255
57.477
−6.839
52.478
1.00
51.91
C

ATOM
4898
CD2
LEU C
255
56.915
−4.462
52.890
1.00
47.71
C

ATOM
4899
C
LEU C
255
59.749
−6.612
50.111
1.00
50.77
C

ATOM
4900
O
LEU C
255
59.542
−5.821
49.228
1.00
50.87
O

ATOM
4901
N
ARG C
256
59.648
−7.916
49.941
1.00
52.72
N

ATOM
4902
CA
ARG C
256
59.407
−8.500
48.648
1.00
55.23
C

ATOM
4903
CB
ARG C
256
59.652
−10.004
48.682
1.00
55.99
C

ATOM
4904
CG
ARG C
256
59.845
−10.582
47.279
1.00
58.84
C

ATOM
4905
CD
ARG C
256
60.905
−11.648
47.204
1.00
64.89
C

ATOM
4906
NE
ARG C
256
62.272
−11.191
47.509
1.00
66.56
N

ATOM
4907
CZ
ARG C
256
63.131
−10.702
45.612
1.00
68.67
C

ATOM
4908
NH1
ARG C
256
64.357
−10.346
46.988
1.00
69.68
N

ATOM
4909
NH2
ARG C
256
62.769
−10.549
45.343
1.00
69.16
N

ATOM
4910
C
ARG C
256
58.008
−8.250
48.173
1.00
56.44
C

ATOM
4911
O
ARG C
256
57.091
−8.143
48.991
1.00
57.75
O

ATOM
4912
N
VAL C
257
57.854
−8.148
46.848
1.00
57.50
N

ATOM
4913
CA
VAL C
257
56.559
−8.023
46.163
1.00
58.48
C

ATOM
4914
CB
VAL C
257
56.662
−6.949
45.063
1.00
58.37
C

ATOM
4915
CG1
VAL C
257
55.368
−6.817
44.347
1.00
58.53
C

ATOM
4916
CG2
VAL C
257
57.107
−5.607
45.611
1.00
57.39
C

ATOM
4917
C
VAL C
257
56.271
−9.308
45.413
1.00
59.93
C

ATOM
4918
O
VAL C
257
57.017
−9.602
44.510
1.00
60 .30
O

ATOM
4919
N
GLN C
258
55.231
−10.086
45.736
1.00
62.14
N

ATOM
4920
CA
GLN C
258
54.858
−11.237
44.834
1.00
64.64
C

ATOM
4921
CB
GLN C
258
55.118
−12.674
45.410
1.00
65.31
C

ATOM
4922
CG
GLN C
258
55.208
−12.833
46.939
1.00
68.69
C

ATOM
4923
CD
GLN C
258
54.224
−11.956
47.705
1.00
74.17
C

ATOM
4924
OE1
GLN C
258
54.285
−11.880
48.937
1.00
77.25
O

ATOM
4925
NE2
GLN C
258
53.315
−11.278
46.985
1.00
75.55
N

ATOM
4926
C
GLN C
258
53.484
−11.155
44.130
1.00
65.06
C

ATOM
4927
O
GLN C
258
53.228
−11.925
43.169
1.00
65.61
O

ATOM
4928
N
LEU C
265
40.078
−13.758
43.199
1.00
76.04
N

ATOM
4929
CA
LEU C
265
38.836
−14.188
42.530
1.00
76.22
C

ATOM,
4930
CB
LEU C
265
37.609
−13.373
43.014
1.00
76.65
C

ATOM
4931
CG
LEU C
265
37.467
−11.841
43.117
1.00
76.24
C

ATOM
4932
CD1
LEU C
265
36.023
−11.534
42.856
1.00
75.36
C

ATOM
4933
CD2
LEU C
265
37.890
−11.270
44.473
1.00
74.52
C

ATOM
4934
C
LEU C
265
38.960
−14.340
40.976
1.00
75.49
C

ATOM
4935
O
LEU C
265
40.001
−14.836
40.515
1.00
76.08
O

ATOM
4936
N
GLY C
266
37.950
−13.942
40.183
1.00
74.22
N

ATOM
4937
CA
GLY C
266
37.959
−14.221
38.715
1.00
72.66
C

ATOM
4938
C
GLY C
266
38.118
−13.083
37.715
1.00
71.19
C

ATOM
4939
O
GLY C
266
38.612
−12.038
38.051
1.00
71.56
O

ATOM
4940
N
SER C
267
37.678
−13.282
36.473
1.00
70.43
N

ATOM
4941
CA
SER C
267
37.717
−12.206
35.423
1.00
68.98
C

ATOM
4942
CB
SER C
267
37.620
−12.785
33.992
1.00
69.03
C

ATOM
4943
OG
SER C
267
36.282
−13.080
33.631
1.00
67.00
O

ATOM
4944
C
SER C
267
36.639
−11.108
35.628
1.00
67.98
C

ATOM
4945
O
SER C
267
36.404
−10.245
34.758
1.00
67.85
O

ATOM
4946
N
ASN C
268
35.955
−11.195
36.761
1.00
66.20
N

ATOM
4947
CA
ASN C
268
35.224
−10.077
37.322
1.00
63.91
C

ATOM
4948
CB
ASN C
268
34.063
−10.577
38.211
1.00
64.43
C

ATOM
4949
CG
ASN C
268
34.395
−11.903
38.970
1.00
65.45
C

ATOM
4950
OD1
ASN C
268
35.552
−12.389
38.997
1.00
64.20
O

ATOM
4951
ND2
ASN C
268
33.365
−12.482
39.586
1.00
65.40
N

ATOM
4952
C
ASN C
268
36.190
−9.138
38.085
1.00
61.63
C

ATOM
4953
O
ASN C
268
35.749
−8.094
38.553
1.00
61.56
O

ATOM
4954
N
ILE C
269
37.485
−9.516
38.181
1.00
58.39
N

ATOM
4955
CA
ILE C
269
38.598
−8.672
38.716
1.00
55.86
C

ATOM
4956
CB
ILE C
269
39.803
−9.583
39.009
1.00
55.77
C

ATOM
4957
CG1
ILE C
269
40.885
−8.856
39.788
1.00
55.53
C

ATOM
4958
CD1
ILE C
269
42.245
−9.595
39.675
1.00
58.00
C

ATOM
4959
CG2
ILE C
269
40.392
−10.182
37.675
1.00
56.51
C

ATOM
4960
C
ILE C
269
39.043
−7.421
37.819
1.00
53.25
C

ATOM
4961
O
ILE C
269
39.755
−7.568
36.830
1.00
52.54
O

ATOM
4962
N
LEU C
270
38.637
−6.212
39.198
1.00
49.85
N

ATOM
4963
CA
LEU C
270
38.784
−5.032
37.350
1.00
46.60
C

ATOM
4964
CB
LEU C
270
37.725
−3.975
37.665
1.00
46.84
C

ATOM
4965
CG
LEU C
270
36.586
−3.933
36.637
1.00
49.37
C

ATOM
4966
CD1
LEU C
270
35.874
−5.305
36.633
1.00
47.59
C

ATOM
4967
CD2
LEU C
270
35.603
−2.723
36.836
1.00
49.44
C

ATOM
4968
C
LEU C
270
40.110
−4.388
37.427
1.00
44.55
C

ATOM
4969
O
LEU C
270
40.708
−4.065
36.407
1.00
43.53
O

ATOM
4970
N
ARG C
271
40.538
−4.150
38.651
1.00
42.99
N

ATOM
4971
CA
ARG C
271
41.830
−3.562
38.939
1.00
42.72
C

ATOM
4972
CB
ARG C
271
41.767
−2.071
38.717
1.00
43.47
C

ATOM
4973
CG
ARG C
271
40.669
−1.398
39.446
1.00
46.05
C

ATOM
4974
CD
ARG C
271
40.823
0.101
39.247
1.00
55.00
C

ATOM
4975
NE
ARG C
271
40.016
0.842
40.217
1.00
56.44
N

ATOM
4976
CZ
ARG C
271
38.686
0.826
40.238
1.00
57.13
C

ATOM
4977
NH1
ARG C
271
37.989
0.120
39.327
1.00
49.61
N

ATOM
4978
NH2
ARG C
271
38.061
1.526
41.188
1.00
61.98
N

ATOM
4979
C
ARG C
271
42.216
−3.840
40.373
1.00
41.28
C

ATOM
4980
O
ARG C
271
41.396
−4.274
41.764
1.00
39.46
O

ATOM
4981
N
VAL C
272
43.479
−3.613
40.688
1.00
41.40
N

ATOM
4982
CA
VAL C
272
44.000
−3.838
42.047
1.00
41.96
C

ATOM
4983
CB
VAL C
272
44.963
−5.127
42.182
1.00
41.79
C

ATOM
4984
CG1
VAL C
272
45.074
−5.523
43.607
1.00
39.31
C

ATOM
4985
CG2
VAL C
272
44.435
−6.377
41.414
1.00
39.62
C

ATOM
4986
C
VAL C
272
44.724
−2.550
42.436
1.00
42.65
C

ATOM
4987
O
VAL C
272
45.402
−2.011
41.637
1.00
43.34
O

ATOM
4988
N
GLU C
273
44.537
−2.019
43.618
1.00
44.33
N

ATOM
4989
CA
GLU C
273
45.374
−0.851
43.995
1.00
46.71
C

ATOM
4990
CB
GLU C
273
44.531
0.338
44.305
1.00
46.27
C

ATOM
4991
CG
GLU C
273
43.720
0.673
43.139
1.00
52.49
C

ATOM
4992
CD
GLU C
273
42.754
1.730
43.473
1.00
62.98
C

ATOM
4993
OE1
GLU C
273
42.867
2.194
44.631
1.00
58.31
O

ATOM
4994
OE2
GLU C
273
41.898
2.095
42.616
1.00
67.66
O

ATOM
4995
C
GLU C
273
40.285
−1.185
45.156
1.00
46.36
C

ATOM
4996
O
GLU C
273
45.936
−2.014
45.963
1.00
47.77
O

ATOM
4997
N
TYR C
274
47.468
−0.609
45.217
1.00
46.18
N

ATOM
4998
CA
TYR C
274
48.427
−1.071
46.215
1.00
46.57
C

ATOM
4999
CB
TYR C
274
49.570
−1.830
45.574
1.00
44.99
C

ATOM
5000
CG
TYR C
274
49.297
−3.066
44.735
1.00
43.21
C

ATOM
5001
CD1
TYR C
274
49.458
−4.357
45.277
1.00
44.02
C

ATOM
5002
CE1
TYR C
274
49.232
−5.536
44.494
1.00
42.34
C

ATOM
5003
CZ
TYR C
274
48.912
−5.360
43.151
1.00
42.03
C

ATOM
5004
OH
TYR C
274
48.721
−6.432
42.367
1.00
40.55
O

ATOM
5005
CE2
TYR C
274
48.775
−4.092
42.594
1.00
39.31
C

ATOM
5005
CD2
TYR C
274
48.977
−2.958
43.386
1.00
42.08
C

ATOM
5007
C
TYR C
274
49.001
0.075
47.024
1.00
46.16
C

ATOM
5008
O
TYR C
274
49.254
1.174
46.528
1.00
46.73
O

ATOM
5009
N
SER C
275
49.178
−0.167
48.307
1.00
46.56
N

ATOM
5010
CA
SER C
275
49.876
0.784
49.139
1.00
46.09
C

ATOM
5011
CB
SER C
275
48.917
1.396
50.128
1.00
46.18
C

ATOM
5012
OG
SER C
275
47.764
1.733
49.411
1.00
48.21
O

ATOM
5013
C
SER C
275
50.928
0.039
49.875
1.00
45.28
C

ATOM
5014
O
SER C
275
50.730
−1.119
50.250
1.00
43.95
O

ATOM
5015
N
LEU C
276
52.068
0.699
50.052
1.00
45.60
N

ATOM
5016
CA
LEU C
276
52.961
0.286
51.095
1.00
45.67
C

ATOM
5017
CB
LEU C
276
54.379
0.562
50.716
1.00
45.44
C

ATOM
5018
CG
LEU C
276
55.352
0.364
51.883
1.00
46.60
C

ATOM
5019
CD1
LEU C
276
55.248
−1.011
52.508
1.00
47.17
C

ATOM
5020
CD2
LEU C
276
56.722
0.609
51.390
1.00
44.49
C

ATOM
5021
C
LEU C
276
52.566
1.016
52.385
1.00
46.03
C

ATOM
5022
O
LEU C
276
52.454
2.251
52.433
1.00
46.02
O

ATOM
5023
N
LEU C
277
52.319
0.235
53.421
1.00
45.84
N

ATOM
5024
CA
LEU C
277
51.999
0.810
54.708
1.00
45.93
C

ATOM
5025
CB
LEU C
277
50.869
0.050
55.397
1.00
45.20
C

ATOM
5026
CG
LEU C
277
49.568
0.216
54.646
1.00
45.26
C

ATOM
5027
CD1
LEU C
277
48.533
−0.262
55.520
1.00
46.31
C

ATOM
5028
CD2
LEU C
277
49.288
1.677
54.310
1.00
44.94
C

ATOM
5029
C
LEU C
277
53.216
0.647
55.513
1.00
46.03
C

ATOM
5030
O
LEU C
277
53.740
−0.463
55.572
1.00
45.38
O

ATOM
5031
N
ILE C
278
53.666
1.762
56.096
1.00
46.19
N

ATOM
5032
CA
ILE C
278
54.704
1.771
57.086
1.00
46.62
C

ATOM
5033
CB
ILE C
278
55.869
2.561
56.650
1.00
47.01
C

ATOM
5034
CG1
ILE C
278
56.325
2.052
55.277
1.00
48.70
C

ATOM
5035
CD1
ILE C
278
56.999
3.064
54.447
1.00
49.30
C

ATOM
5036
CG2
ILE C
278
56.950
2.394
57.662
1.00
47.18
C

ATOM
5037
C
ILE C
278
54.097
2.472
58.248
1.00
47.50
C

ATOM
5038
O
ILE C
278
53.829
3.695
58.192
1.00
48.42
O

ATOM
5039
N
TYR C
279
53.819
1.684
59.291
1.00
47.54
N

ATOM
5040
CA
TYR C
279
53.205
2.205
60.507
1.00
47.27
C

ATOM
5041
CB
TYR C
279
51.768
1.802
60.545
1.00
46.12
C

ATOM
5042
CG
TYR C
279
51.536
0.331
60.545
1.00
46.57
C

ATOM
5043
CD1
TYR C
279
51.903
−0.403
59.396
1.00
46.39
C

ATOM
5044
CE1
TYR C
279
51.769
−1.811
59.403
1.00
45.95
C

ATOM
5045
CZ
TYR C
279
51.377
−2.460
60.561
1.00
44.95
C

ATOM
5046
OH
TYR C
279
51.281
−3.832
60.555
1.00
48.41
O

ATOM
5047
CE2
TYR C
279
51.128
−1.740
61.717
1.00
42.75
C

ATOM
5048
CD2
TYR C
279
51.262
−0.365
61.771
1.00
44.60
C

ATOM
5049
C
TYR C
279
53.929
1.760
61.816
1.00
48.06
C

ATOM
5050
O
TYR C
279
54.819
0.866
61.815
1.00
47.20
O

ATOM
5051
N
VAL C
280
53.557
2.440
62.909
1.0
48.12
N

ATOM
5052
CA
VAL C
280
54.011
2.120
64.238
1.00
48.05
C

ATOM
5053
CB
VAL C
280
54.761
3.262
64.822
1.00
47.41
C

ATOM
5054
CG1
VAL C
280
55.063
2.975
66.277
1.00
46.80
C

ATOM
5055
CG2
VAL C
280
56.055
3.369
64.086
1.00
48.24
C

ATOM
5056
C
VAL C
280
52.878
1.756
65.165
1.00
48.84
C

ATOM
5057
O
VAL C
280
51.898
2.489
65.264
1.00
48.05
O

ATOM
5058
N
SER C
281
53.023
0.627
65.855
1.00
50.09
N

ATOM
5059
CA
SER C
281
52.010
0.229
66.831
1.00
51.91
C

ATOM
5060
CB
SER C
281
51.873
−1.290
66.930
1.00
52.23
C

ATOM
5061
OG
SER C
281
51.616
−1.878
65.652
1.00
55.75
O

ATOM
5062
C
SER C
281
52.361
0.783
68.186
1.00
51.98
C

ATOM
5063
O
SER C
281
53.460
0.570
68.657
1.00
52.61
O

ATOM
5064
N
VAL C
282
51.407
1.479
68.790
1.00
51.65
N

ATOM
5065
CA
VAL C
282
51.491
1.991
70.120
1.00
51.57
C

ATOM
5066
CB
VAL C
282
51.015
3.480
70.104
1.00
51.75
C

ATOM
5067
CG1
VAL C
282
51.146
4.104
71.485
1.00
51.47
C

ATOM
5068
CG2
VAL C
282
51.748
4.307
69.018
1.00
49.13
C

ATOM
5069
C
VAL C
282
50.506
1.169
70.972
1.00
52.78
C

ATOM
5070
O
VAL C
282
49.323
1.290
70.771
1.00
53.23
O

ATOM
5071
N
PRO C
283
50.062
0.331
71.925
1.00
54.14
N

ATOM
5072
CA
PRO C
283
49.918
−0.352
72.740
1.00
55.23
C

ATOM
5073
CB
PRO C
283
50.737
−1.210
73.313
1.00
54.84
C

ATOM
5074
CG
PRO C
283
52.053
−1.417
73.000
1.00
53.86
C

ATOM
5075
CD
PRO C
283
52.314
−0.097
72.323
1.00
53.78
C

ATOM
5076
C
PRO C
283
48.972
0.613
73.502
1.00
56.31
C

ATOM
5077
O
PRO C
283
49.440
1.565
74.125
1.00
57.07
O

ATOM
5078
N
GLY C
284
47.654
0.380
43.413
1.00
57.00
N

ATOM
5079
CA
GLY C
284
46.647
1.226
74.071
1.00
57.78
C

ATOM
5080
C
GLY C
284
46.496
2.635
73.500
1.00
58.36
C

ATOM
5081
O
GLY C
284
46.403
3.620
74.235
1.00
59.77
O

ATOM
5082
N
SER C
285
26.454
2.739
72.178
1.00
57.95
N

ATOM
5083
CA
SER C
285
46.380
4.035
71.487
1.00
56.72
C

ATOM
5084
CB
SER C
285
47.563
4.903
71.887
1.00
55.90
C

ATOM
5085
OG
SER C
285
47.719
5.947
70.972
1.00
58.26
O

ATOM
5086
C
SER C
285
46.316
3.764
69.970
1.00
55.39
C

ATOM
5087
O
SER C
285
46.641
2.685
69.531
1.00
55.11
O

ATOM
5088
N
LYS C
286
45.854
4.689
69.158
1.00
54.78
N

ATOM
5089
CA
LYS C
286
45.786
4.339
67.718
1.00
55.48
C

ATOM
5090
CB
LYS C
286
44.785
5.226
66.925
1.00
55.50
C

ATOM
5091
CG
LYS C
286
43.332
4.765
67.133
1.00
57.44
C

ATOM
5092
CD
LYS C
286
42.291
5.563
66.310
1.00
83.71
C

ATOM
5093
CE
LYS C
266
42.033
6.988
66.846
1.00
63.81
C

ATOM
5094
NZ
LYS C
286
43.092
7.928
66.364
1.00
67.28
N

ATOM
5095
C
LYS C
286
47.177
4.227
67.017
1.00
53.80
C

ATOM
5096
O
LYS C
286
48.111
4.918
67.405
1.00
53.55
O

ATOM
5097
N
LYS C
287
47.288
3.351
56.016
1.00
51.76
N

ATOM
5098
CA
LYS C
287
48.488
3.257
65.176
1.00
50.28
C

ATOM
5099
CB
LYS C
287
48.306
2.191
64.070
1.00
50.03
C

ATOM
5100
CG
LYS C
287
48.356
0.748
64.522
1.00
49.90
C

ATOM
5101
CD
LYS C
287
47.792
−0.095
63.459
1.00
54.00
C

ATOM
5102
CE
LYS C
287
47.723
−1.539
63.843
1.00
57.12
C

ATOM
5103
NZ
LYS C
287
46.761
−1.752
64.928
1.00
60.32
N

ATOM
5104
C
LYS C
287
48.900
4.607
64.540
1.00
49.09
C

ATOM
5105
O
LYS C
287
48.072
5.561
64.327
1.00
48.95
O

ATOM
5106
N
VAL C
288
50.183
4.762
64.247
1.00
47.97
N

ATOM
5107
CA
VAL C
288
50.597
5.859
63.359
1.00
46.75
C

ATOM
5108
CB
VAL C
288
51.500
6.962
64.039
1.00
46.41
C

ATOM
5109
CG1
VAL C
288
51.921
6.545
65.397
1.00
45.07
C

ATOM
5110
CG2
VAL C
288
52.670
7.343
63.211
1.00
48.77
C

ATOM
5111
C
VAL C
288
51.044
5.317
62.024
1.00
46.03
C

ATOM
5112
O
VAL C
288
51.995
4.529
61.933
1.00
45.26
O

ATOM
5113
N
ILE C
289
50.298
5.746
61.002
1.00
46.31
N

ATOM
5114
CA
ILE C
289
50.321
5.186
59.642
1.00
46.22
C

ATOM
5115
CB
ILE C
289
48.942
4.674
59.284
1.00
46.13
C

ATOM
5116
CG1
ILE C
289
48.583
3.535
60.243
1.00
46.03
C

ATOM
5117
CD1
ILE C
289
47.174
3.430
50.585
1.00
44.04
C

ATOM
5118
CG2
ILE C
289
48.910
4.206
57.833
1.00
46.41
C

ATOM
5119
C
ILE C
289
50.796
6.145
58.542
1.00
46.86
C

ATOM
5120
O
ILE C
289
50.254
7.234
58.358
1.00
47.16
O

ATOM
5121
N
LEU C
290
51.826
5.747
57.810
1.00
47.01
N

ATOM
5122
CA
LEU C
290
52.132
6.428
56.582
1.00
46.04
C

ATOM
5123
CB
LEU C
290
53.635
6.489
56.375
1.00
45.88
C

ATOM
5124
CG
LEU C
290
54.549
7.048
57.480
1.00
43.35
C

ATOM
5125
CD1
LEU C
290
55.900
7.133
56.923
1.00
38.85
C

ATOM
5126
CD2
LEU C
290
54.169
8.448
57.918
1.00
42.00
C

ATOM
5127
C
LEU C
290
51.528
5.481
55.614
1.00
47.25
C

ATOM
5128
O
LEU C
290
51.579
4.279
55.825
1.00
48.33
O

ATOM
5129
N
ASP C
291
50.935
8.008
54.554
1.00
48.26
N

ATOM
5130
CA
ASP C
291
50.450
5.212
53.442
1.00
48.27
C

ATOM
5131
CB
ASP C
291
48.936
5.265
53.438
1.00
49.04
C

ATOM
5132
CG
ASP C
291
48.315
4.479
52.288
1.00
52.76
C

ATOM
5133
OD1
ASP C
291
48.896
4.412
51.177
1.00
56.06
O

ATOM
5134
OD2
ASP C
291
47.202
3.947
52.490
1.00
58.49
O

ATOM
5135
C
ASP C
291
51.015
5.746
52.128
1.00
47.79
C

ATOM
5136
O
ASP C
291
50.759
6.842
51.705
1.00
48.10
O

ATOM
5137
N
LEU C
292
51.788
4.935
51.455
1.00
48.53
N

ATOM
5138
CA
LEU C
292
52.439
5.349
50.221
1.00
48.01
C

ATOM
5139
CB
LEU C
292
53.940
5.055
50.336
1.00
47.59
C

ATOM
5140
CG
LEU C
292
54.715
5.498
51.560
1.00
45.17
C

ATOM
5141
CD1
LEU C
292
56.120
5.495
51.148
1.00
40.02
C

ATOM
5142
CD2
LEU C
292
54.327
6.873
51.914
1.00
44.65
C

ATOM
5143
C
LEU C
292
51.918
4.529
49.069
1.00
48.09
C

ATOM
5144
O
LEU C
292
52.166
3.313
49.041
1.00
50.59
O

ATOM
5145
N
PRO C
293
51.259
5.156
48.084
1.00
46.99
N

ATOM
5146
CA
PRO C
293
50.642
4.336
47.050
1.00
46.12
C

ATOM
5147
CB
PRO C
293
49.771
5.365
46.314
1.00
47.27
C

ATOM
5148
CG
PRO C
293
49.559
6.523
47.384
1.00
46.65
C

ATOM
5149
CD
PRO C
293
51.009
6.571
47.825
1.00
46.64
C

ATOM
5150
C
PRO C
293
51.689
3.688
46.128
1.00
45.31
C

ATOM
5151
O
PRO C
293
52.836
4.062
46.143
1.00
46.21
O

ATOM
5152
N
LEU C
294
51.332
2.654
45.402
1.00
53.44
N

ATOM
5153
CA
LEU C
294
52.279
1.998
44.507
1.00
43.38
C

ATOM
5154
CB
LEU C
294
52.992
0.818
45.153
1.00
43.14
C

ATOM
5155
CG
LEU C
294
53.381
0.800
46.637
1.00
45.84
C

ATOM
5156
CD1
LEU C
294
53.172
−0.592
47.143
1.00
48.40
C

ATOM
5157
CD2
LEU C
294
54.799
1.184
46.872
1.00
44.03
C

ATOM
5158
C
LEU C
294
51.568
1.499
43.260
1.00
43.04
C

ATOM
5159
O
LEU C
294
50.313
1.501
43.161
1.00
42.76
O

ATOM
5160
N
VAL C
295
52.391
1.123
42.282
1.00
41.49
N

ATOM
5161
CA
VAL C
295
51.908
0.576
41.051
1.00
39.21
C

ATOM
5162
CB
VAL C
295
52.373
1.420
39.897
1.00
39.23
C

ATOM
5163
CG1
VAL C
295
52.294
0.689
38.571
1.00
35.04
C

ATOM
5164
CG2
VAL C
295
51.592
2.768
39.883
1.00
37.17
C

ATOM
5165
C
VAL C
295
52.585
−0.733
41.051
1.00
39.77
C

ATOM
5166
O
VAL C
295
53.766
−0.793
41.381
1.00
39.60
O

ATOM
5167
N
ILE C
296
51.880
−1.821
40.733
1.00
40.37
N

ATOM
5168
CA
ILE C
296
52.632
−3.074
40.706
1.00
41.02
C

ATOM
5169
CB
ILE C
296
52.523
−3.901
42.035
1.00
41.49
C

ATOM
5170
CG1
ILE C
296
53.465
−3.301
43.060
1.00
41.15
C

ATOM
5171
CD1
ILE C
296
52.855
−3.090
44.347
1.00
43.44
C

ATOM
5172
CG2
ILE C
296
53.048
−5.298
41.851
1.00
42.80
C

ATOM
5173
C
ILE C
296
52.333
−3.844
39.492
1.00
40.08
C

ATOM
5174
O
ILE C
296
51.253
−4.350
39.326
1.00
39.84
O

ATOM
5175
N
GLY C
297
53.315
−3.896
38.624
1.00
40.43
N

ATOM
5176
CA
GLY C
297
53.124
−4.606
37.375
1.00
41.99
C

ATOM
5177
C
GLY C
297
53.720
−5.997
37.351
1.00
42.78
C

ATOM
5178
O
GLY C
297
54.540
−6.346
38.223
1.00
43.43
O

ATOM
5179
N
SER C
298
53.316
−6.786
36.374
1.00
43.47
N

ATOM
5180
CA
SER C
298
53.825
−8.133
36.203
1.00
44.56
C

ATOM
5181
CB
SER C
298
52.667
−9.103
35.933
1.00
44.96
C

ATOM
5182
OG
SER C
298
51.597
−8.436
35.300
1.00
44.35
O

ATOM
5183
C
SER C
298
54.903
−8.229
35.107
1.00
45.65
C

ATOM
5184
O
SER C
298
55.099
−7.280
34.304
1.00
43.89
O

ATOM
5185
N
ARG C
299
55.604
−9.381
35.119
1.00
47.58
N

ATOM
5186
CA
ARG C
299
56.668
−9.702
34.165
1.00
49.19
C

ATOM
5187
CB
ARG C
299
57.621
−10.764
34.701
1.00
50.08
C

ATOM
5188
CG
ARG C
299
58.068
−10.516
36.150
1.00
34.28
C

ATOM
5189
CD
ARG C
299
59.466
−11.050
36.458
1.00
59.46
C

ATOM
5190
NE
ARG C
299
60.482
−9.982
36.510
1.00
63.34
N

ATOM
5191
CZ
ARG C
299
60.823
−9.296
37.607
1.00
62.88
C

ATOM
5192
NH1
ARG C
299
60.231
−9.548
38.772
1.00
62.72
N

ATOM
5193
NH2
ARG C
299
61.760
−8.349
37.537
1.00
62.07
N

ATOM
5194
C
ARG C
299
56.042
−10.204
32.917
1.00
49.11
C

ATOM
5195
O
ARG C
299
56.052
−9.480
31.937
1.00
50.56
O

TER

ATOM
5196
N
MET D
1
84.926
16.828
78.667
1.00
56.17
N

ATOM
5197
CA
MET D
1
84.714
16.943
77.187
1.00
56.17
C

ATOM
5198
CB
MET D
1
85.951
17.520
76.502
1.00
56.37
C

ATOM
5199
CG
MET D
1
86.196
18.980
76.860
1.00
60.17
C

ATOM
5200
SD
MET D
1
84.935
20.190
76.305
1.00
66.37
S

ATOM
5201
CE
MET D
1
84.882
19.827
74.543
1.00
63.97
C

ATOM
5202
C
MET D
1
84.440
15.597
76.594
1.00
55.10
C

ATOM
5203
O
MET D
1
84.957
14.607
77.098
1.00
54.50
O

ATOM
5204
N
VAL D
2
83.624
15.563
75.534
1.00
54.62
N

ATOM
5205
CA
VAL D
2
83.408
14.337
74.756
1.00
53.80
C

ATOM
5206
CB
VAL D
2
81.929
14.130
74.496
1.00
53.98
C

ATOM
5207
CG1
VAL D
2
81.681
12.780
73.812
1.00
53.51
C

ATOM
5208
CG2
VAL D
2
81.155
14.208
75.805
1.00
53.18
C

ATOM
5209
C
VAL D
2
84.201
14.317
73.429
1.00
53.44
C

ATOM
5210
O
VAL D
2
84.171
15.270
72 .681
1.00
52.78
O

ATOM
5211
N
LYS D
3
84.909
13.224
73.133
1.00
53.18
N

ATOM
5212
CA
LYS D
3
85.642
13.126
71.864
1.00
52.42
C

ATOM
5213
CB
LYS D
3
86.879
12.260
72.024
1.00
52.53
C

ATOM
5214
CG
LYS D
3
87.937
12.544
70.367
1.00
53.99
C

ATOM
5215
CD
LYS D
3
88.625
11.271
70.451
1.00
55.01
C

ATOM
5216
CE
LYS D
3
89.936
11.640
69.740
1.00
57.63
C

ATOM
5217
NZ
LYS D
3
89.732
11.934
68.295
1.00
58.41
N

ATOM
5218
C
LYS D
3
84.763
12.497
70.800
1.00
52.20
C

ATOM
5219
O
LYS D
3
84.127
11.469
71.065
1.00
52.81
O

ATOM
5220
N
GLN D
4
84.761
13.092
69.609
1.00
51.37
N

ATOM
5221
CA
GLN D
4
83.937
12.681
68.499
1.00
52.23
C

ATOM
5222
CB
GLN D
4
88.518
13.913
67.694
1.00
51.41
C

ATOM
5223
CG
GLN D
4
82.511
13.668
66.528
1.00
56.43
C

ATOM
5224
CD
GLN D
4
80.989
13.494
66.929
1.00
60.49
C

ATOM
5225
OE1
GLN D
4
80.346
14.420
67.460
1.00
62.53
O

ATOM
5226
NE2
GLN D
4
80.425
12.307
66.633
1.00
59.61
N

ATOM
5227
C
GLN D
4
84.617
11.598
67.623
1.00
52.97
C

ATOM
5228
O
GLN D
4
85.594
11.866
66.948
1.00
53.85
O

ATOM
5229
N
ILE D
5
84.125
10.364
67.622
1.00
53.57
N

ATOM
5230
CA
ILE D
5
84.792
9.400
66.776
1.00
54.47
C

ATOM
5231
CB
ILE D
5
84.546
8.007
67.194
1.00
53.54
C

ATOM
5252
CG1
ILE D
5
85.291
7.759
68.502
1.00
53.46
C

ATOM
5233
CD1
ILE D
5
86.665
8.289
68.561
1.00
52.27
C

ATOM
5234
CG2
ILE D
5
84.932
7.064
66.067
1.00
52.29
C

ATOM
5235
C
ILE D
5
84.386
9.582
65.323
1.00
56.14
C

ATOM
5236
O
ILE D
5
83.203
9.646
65.003
1.00
57.33
O

ATOM
5237
N
GLU D
6
85.349
9.692
64.430
1.00
56.99
N

ATOM
5238
CA
GLU D
6
84.927
9.906
63.080
1.00
57.59
C

ATOM
5239
CB
GLU D
6
85.691
11.075
62.437
1.00
58.86
C

ATOM
5240
CG
GLU D
6
85.101
12.489
62.726
1.00
61.95
C

ATOM
5241
CD
GLU D
6
83.568
12.618
62.464
1.00
67.13
C

ATOM
5242
OE1
GLU D
6
83.047
12.007
61.502
1.00
68.15
O

ATOM
5243
OE2
GLU D
6
82.877
13.350
63.222
1.00
68.59
O

ATOM
5244
C
GLU D
6
84.981
8.639
62.255
1.00
57.09
C

ATOM
5245
O
GLU D
6
84.503
8.640
61.138
1.00
56.42
O

ATOM
5246
N
SER D
7
85.525
7.555
62.821
1.00
57.32
N

ATOM
5247
CA
SER D
7
85.713
8.306
82.066
1.00
57.19
C

ATOM
5248
CB
SER D
7
86.797
6.487
61.024
1.00
57.14
C

ATOM
5249
OG
SER D
7
88.013
6.765
61.682
1.00
57.59
O

ATOM
5250
C
SER D
7
86.112
5.089
52.885
1.00
56.89
C

ATOM
5251
O
SER D
7
86.435
5.187
64.054
1.00
56.55
O

ATOM
5252
N
LYS D
8
86.121
3.942
62.209
1.00
56.60
N

ATOM
5253
CA
LYS D
8
86.557
2.693
62.795
1.00
56.35
C

ATOM
5254
CB
LYS D
8
86.420
1.587
61.758
1.00
55.96
C

ATOM
5255
CG
LYS D
8
86.105
0.237
62.402
1.00
56.40
C

ATOM
5256
CD
LYS D
8
84.882
−0.463
61.738
1.00
54.35
C

ATOM
5257
CE
LYS D
8
85.281
−1.432
60.660
1.00
53.97
C

ATOM
5258
NZ
LYS D
8
86.250
−2.402
61.233
1.00
55.13
N

ATOM
5259
C
LYS D
8
88.004
2.786
63.294
1.00
56.25
C

ATOM
5260
O
LYS D
8
88.356
2.301
64.368
1.00
56.14
O

ATOM
5261
N
THR D
9
88.854
3.417
62.507
1.00
55.88
N

ATOM
5232
CA
THR D
9
90.199
3.698
62.979
1.00
55.54
C

ATOM
5263
CB
THR D
9
91.015
4.353
61.863
1.00
55.07
C

ATOM
5264
OG1
THR D
9
81.053
3.441
60.770
1.00
55.00
O

ATOM
5265
CG2
THR D
9
92.434
4.651
62.285
1.00
54.98
C

ATOM
5266
C
THR D
9
90.174
4.527
64. 273
1.00
55.74
C

ATOM
5267
O
THR D
9
90.660
4.072
65.306
1.00
55.70
O

ATOM
5268
N
ALA D
10
89.561
5.715
64.232
1.00
56.37
N

ATOM
5269
CA
ALA D
10
89.572
6.640
65.387
1.00
55.94
C

ATOM
5270
CB
ALA D
10
88.661
7.880
65.152
1.00
55.95
C

ATOM
5271
C
ALA D
10
89.133
5.861
66.603
1.00
55.45
C

ATOM
5272
O
ALA D
10
89.663
6.058
67.688
1.00
55.29
O

ATOM
5273
N
PHE D
11
88.198
4.945
66.372
1.00
55.09
N

ATOM
5274
CA
PHE D
11
87.647
4.119
67.399
1.00
55.04
C

ATOM
5275
CB
PHE D
11
86.645
3.183
66.823
1.00
55.04
C

ATOM
5276
CG
PHE D
11
85.674
2.713
67.821
1.00
57.35
C

ATOM
5277
CD1
PHE D
11
85.190
3.614
68.811
1.00
59.38
C

ATOM
5278
CE1
PHE D
11
84.244
3.196
89.770
1.00
59.84
C

ATOM
5279
CZ
PHE D
11
83.781
1.879
69.735
1.00
59.09
C

ATOM
5280
CE2
PHE D
11
84.262
0.986
68.745
1.00
57.90
C

ATOM
5281
CD2
PHE D
11
85.200
1.406
67.791
1.00
56.60
C

ATOM
5282
C
PHE D
11
88.653
3.244
68.063
1.00
55.14
C

ATOM
5283
O
PHE D
11
88.701
3.196
69.291
1.00
55.58
O

ATOM
5284
N
GLN D
12
89.424
2.520
67.251
1.00
54.83
N

ATOM
5285
CA
GLN D
12
90.423
1.601
67.753
1.00
54.13
C

ATOM
5286
CB
GLN D
12
91.084
0.841
66.605
1.00
54.12
C

ATOM
5287
CG
GLN D
12
91.643
−0.495
67.080
1.00
54.56
C

ATOM
5288
CD
GLN D
12
90.661
−1.219
67.985
1.00
55.86
C

ATOM
5289
OE1
GLN D
12
90.147
−2.282
67.656
1.00
56.41
O

ATOM
5290
NE2
GLN D
12
90.362
−0.611
69.128
1.00
56.61
N

ATOM
5291
C
GLN D
12
91.475
2.341
68.571
1.00
53.81
C

ATOM
5292
O
GLN D
12
91.822
1.946
69.683
1.00
53.46
O

ATOM
5293
N
GLU D
13
91.958
3.438
68.015
1.00
53.38
N

ATOM
5294
CA
GLU D
13
92.946
4.225
68.675
1.00
53.17
C

ATOM
5295
CB
GLU D
13
93.381
5.377
67.788
1.00
53.04
C

ATOM
5296
CG
GLU D
13
94.196
4.824
66.631
1.00
53.93
C

ATOM
5297
CD
GLU D
13
95.481
4.079
67.112
1.00
56.83
C

ATOM
5298
OE1
GLU D
13
96.260
4.723
67.871
1.00
53.76
O

ATOM
5299
OE2
GLU D
13
95.715
2.877
66.733
1.00
57.02
O

ATOM
5300
C
GLU D
13
92.421
4.675
70.014
1.00
53.34
C

ATOM
5301
O
GLU D
13
93.093
4.507
71.040
1.00
53.94
O

ATOM
5302
N
ALA D
14
91.208
5.199
70.031
1.00
53.06
N

ATOM
5303
CA
ALA D
14
90.601
5.553
71.298
1.00
52.99
C

ATOM
5304
CB
ALA D
14
89.167
6.046
71.108
1.00
52.36
C

ATOM
5305
C
ALA D
14
90.677
4.384
72.296
1.00
53.31
C

ATOM
5306
O
ALA D
14
91.226
4.558
73.387
1.00
53.88
O

ATOM
5307
N
LEU D
15
90.169
3.209
71.913
1.00
53.70
N

ATOM
5308
CA
LEU D
15
90.025
2.047
72.813
1.00
54.88
C

ATOM
5309
CB
LEU D
15
89.455
0.861
72.028
1.00
54.83
C

ATOM
5310
CG
LEU D
15
87.987
0.451
72.212
1.00
56.20
C

ATOM
5311
CD1
LEU D
15
87.042
1.715
73.302
1.00
57.43
C

ATOM
5312
CD2
LEU D
15
87.503
−0.591
71.161
1.00
52.76
C

ATOM
5313
C
LEU D
15
91.314
1.587
73.521
1.00
56.19
C

ATOM
5314
O
LEU D
15
91.274
1.114
74.658
1.00
56.18
O

ATOM
5315
N
ASP D
16
92.444
1.723
72.623
1.00
57.06
N

ATOM
5316
CA
ASP D
16
93.714
1.188
73.257
1.00
57.59
C

ATOM
5317
CB
ASP D
16
94.496
0.657
72.036
1.00
58.11
C

ATOM
5318
CG
ASP D
16
93.690
−0.340
71.168
1.00
58.95
C

ATOM
5319
OD1
ASP D
16
92.719
−0.961
71.682
1.00
60.38
O

ATOM
5320
OD2
APS D
16
94.054
−0.512
89.971
1.00
57.04
O

ATOM
5321
C
ASP D
16
94.517
2.295
73.927
1.00
57.68
C

ATOM
5322
O
ASP D
16
95.254
2.046
74.876
1.00
57.48
O

ATOM
5323
N
ALA D
17
94.411
3.515
73.401
1.00
57.95
N

ATOM
5324
CA
ALA D
17
95.081
4.667
74.020
1.00
58.27
C

ATOM
5325
CB
ALA D
17
95.009
5.919
73.134
1.00
58.12
C

ATOM
5326
C
ALA D
17
94.441
4.926
75.375
1.00
58.49
C

ATOM
5327
O
ALA D
17
95.051
5.539
76.239
1.00
58.41
O

ATOM
5328
N
ALA D
18
93.202
4.461
75.549
1.00
58.72
N

ATOM
5329
CA
ALA D
18
92.588
4.413
76.866
1.00
59.00
C

ATOM
5330
CB
ALA D
18
91.193
3.809
76.769
1.00
58.39
C

ATOM
5331
C
ALA D
18
93.524
3.540
77.694
1.00
59.33
C

ATOM
5332
O
ALA D
18
94.454
2.937
77.153
1.00
59.90
O

ATOM
5333
N
GLY D
19
93.342
3.436
78.989
1.00
59.40
N

ATOM
5334
CA
GLY D
19
94.376
2.660
79.670
1.00
60.53
C

ATOM
5335
C
GLY D
19
93.712
1.481
80.280
1.00
60.94
C

ATOM
5336
O
GLY D
19
93.041
0.689
79.594
1.00
61.44
O

ATOM
5337
N
ASP D
20
93.880
1.375
81.588
1.00
60.45
N

ATOM
5338
CA
ASP C
20
92.881
0.637
82.330
1.00
60.27
C

ATOM
5339
CB
ASP C
20
93.455
0.236
83.704
1.00
60.19
C

ATOM
5340
CG
ASP D
20
94.033
−1.234
83.693
1.00
63.17
C

ATOM
5341
OD1
ASP D
20
95.051
−1.575
84.433
1.00
61.37
O

ATOM
5342
OD2
ASP D
20
93.406
−2.047
82.938
1.00
63.37
O

ATOM
5343
C
ASP C
20
91.534
1.437
82.403
1.00
59.19
C

ATOM
5344
O
ASP C
20
90.525
8.979
82.973
1.00
58.99
C

ATOM
5345
N
LYS D
21
91.491
2.618
81.797
1.00
57.84
N

ATOM
5346
CA
LYS D
21
90.390
3.537
82.104
1.00
57.43
C

ATOM
5347
CB
LYS D
21
90.744
4.950
81.650
1.00
57.30
C

ATOM
5348
CG
LYS D
21
92.225
5.251
81.565
1.00
58.95
C

ATOM
5349
CD
LYS D
21
92.524
6.654
82.106
1.00
61.20
C

ATOM
5350
CE
LYS D
21
92.351
7.762
81.051
1.00
64.85
C

ATOM
5351
NZ
LYS D
21
93.404
7.758
79.945
1.00
65.74
N

ATOM
5352
C
LYS D
21
89.015
3.117
81.525
1.00
57.07
C

ATOM
5353
O
LYS D
21
88.920
2.380
80.517
1.00
58.78
O

ATOM
5354
N
LEU D
22
87.937
3.566
82.158
1.00
56.08
N

ATOM
5355
CA
LEU D
22
86.629
3.249
81.633
1.00
55.27
C

ATOM
5356
CB
LEU D
22
85.587
3.348
82.729
1.00
55.02
C

ATOM
5357
CG
LEU D
22
84.106
3.286
82.439
1.00
53.83
C

ATOM
5358
CD1
LEU D
22
83.501
1.874
82.280
1.00
48.52
C

ATOM
5359
CD2
LEU D
22
83.431
4.100
83.391
1.00
55.25
C

ATOM
5360
C
LEU D
22
86.316
4.209
80.476
1.00
55.90
C

ATOM
5361
O
LEU D
22
86.544
5.416
80.591
1.00
56.11
O

ATOM
5362
N
VAL D
23
85.836
3.647
79.362
1.00
55.16
N

ATOM
5363
CA
VAL D
23
85.412
4.403
78.199
1.00
55.20
C

ATOM
5364
CB
VAL D
23
85.906
3.764
76.873
1.00
55.38
C

ATOM
5365
CG1
VAL D
23
85.744
4.756
75.737
1.00
56.04
C

ATOM
5366
CG2
VAL D
23
87.299
3.282
76.964
1.00
54.35
C

ATOM
5367
C
VAL D
23
83.88
4.324
78.080
1.00
54.52
C

ATOM
5368
O
VAL D
23
83.324
3.231
78.036
1.00
54.43
O

ATOM
5369
N
VAL D
24
83.225
5.455
77.977
1.00
52.97
N

ATOM
5370
CA
VAL D
24
81.837
5.363
77.661
1.00
53.70
C

ATOM
5371
CB
VAL D
24
80.983
5.915
78.832
1.00
53.19
C

ATOM
5372
CG1
VAL D
24
81.566
7.178
79.332
1.00
54.84
C

ATOM
5373
CG2
VAL D
24
79.577
6.142
78.416
1.00
52.72
C

ATOM
5374
C
VAL D
24
81.608
5.958
76.236
1.00
53.85
C

ATOM
5375
O
VAL D
24
82.339
6.854
75.839
1.00
54.76
O

ATOM
5376
N
VAL D
25
80.678
5.397
75.455
1.00
53.72
N

ATOM
5377
CA
VAL D
25
80.417
5.777
74.054
1.00
53.32
C

ATOM
5378
CB
VAL D
25
80.647
4.602
73.096
1.00
53.49
C

ATOM
5379
CG1
VAL D
25
80.584
5.073
71.656
1.00
53.16
C

ATOM
5380
CG2
VAL D
25
81.956
3.925
73.373
1.00
55.46
C

ATOM
5381
C
VAL D
25
78.951
5.993
73.919
1.00
53.11
C

ATOM
5382
O
VAL D
25
78.154
5.104
74.144
1.00
53.83
O

ATOM
5383
N
ASP D
26
78.569
7.170
73.509
1.00
53.46
N

ATOM
5384
CA
ASP D
26
77.159
7.435
73.311
1.00
52.88
C

ATOM
5385
CB
ASP D
26
76.859
8.826
73.852
1.00
53.22
C

ATOM
5386
CG
ASP D
26
75.676
9.489
73.217
1.00
55.17
C

ATOM
5387
OD1
ASP D
26
74.760
8.803
72.747
1.00
60.41
O

ATOM
5388
OD2
ASPD
26
75.665
10.738
73.208
1.00
59.37
O

ATOM
5389
C
ASP D
26
76.925
7.366
71.824
1.00
51.94
C

ATOM
5390
O
ASP D
26
77.364
8.171
71.063
1.00
51.87
O

ATOM
5391
N
PHE D
27
76.319
6.197
71.410
1.00
50.79
N

ATOM
5392
CA
PHE D
27
75.920
6.053
70.018
1.00
50 .81
C

ATOM
5393
CB
PHE D
27
75.677
4.621
69.596
1.00
50.46
C

ATOM
5394
CG
PHE D
27
76.924
3.793
69.559
1.00
51.58
C

ATOM
5395
CD1
PHE D
27
77.685
3.696
68.421
1.00
51.28
C

ATOM
5396
CE1
PHE D
27
78.799
2.922
68.368
1.00
48.60
C

ATOM
5397
CZ
PHE D
27
79.199
2.208
69.491
1.00
53.08
C

ATOM
5398
CE2
PHE D
27
78.481
2.290
70.650
1.00
54.56
C

ATOM
5399
CD2
PHE D
27
77.339
3.102
70.691
1.00
53.28
C

ATOM
5400
C
PHE D
27
74.692
6.855
69.870
1.00
51.10
C

ATOM
5401
O
PHE D
27
73.699
6.629
70.554
1.00
50.88
O

ATOM
5402
N
SER D
28
74.812
7.816
68.957
1.00
51.51
N

ATOM
5403
CA
SER D
28
73.947
8.945
68.813
1.00
50.87
C

ATOM
5404
CB
SER D
28
74.704
10.128
69.372
1.00
50.53
C

ATOM
5405
OG
SER D
28
73.787
11.137
69.635
1.00
53.39
O

ATOM
5406
C
SER D
28
73.560
9.199
67.326
1.00
51.48
C

ATOM
5407
O
SER D
28
74.178
8.584
65.349
1.00
50.82
O

ATOM
5408
N
ALA D
29
72.569
10.108
67.156
1.00
50.35
N

ATOM
5409
CA
ALA D
29
72.146
10.583
65.850
1.00
49.99
C

ATOM
5410
CB
ALA D
29
71.057
9.754
65.355
1.00
49.96
C

ATOM
5411
C
ALA D
29
71.677
12.015
65.994
1.00
50.87
C

ATOM
5412
O
ALA D
29
71.048
12.322
67.012
1.00
50.76
O

ATOM
5413
N
THR D
30
71.926
12.896
65.001
1.00
50.54
N

ATOM
5414
CA
THR D
30
71.659
14.328
65.255
1.00
50.57
C

ATOM
5415
CB
THR D
30
72.502
15.315
54.391
1.00
51.01
C

ATOM
5416
OG1
THR D
30
71.823
15.536
63.152
1.00
55.61
O

ATOM
5417
CG2
THR D
30
73.932
14.831
64.091
1.00
52.12
C

ATOM
5418
C
THR D
30
70.192
14.727
65.126
1.00
49.93
C

ATOM
5419
O
THR D
30
69.839
15.866
65.499
1.00
49.69
O

ATOM
5420
N
TRP D
31
69.349
13.822
64.590
1.00
49.71
N

ATOM
5421
CA
TRP D
31
67.900
14.073
64.375
1.00
49.75
C

ATOM
5422
CB
TRP D
31
67.469
13.532
63.016
1.00
48.99
C

ATOM
5423
CG
TRP D
31
67.898
12.098
62.808
1.00
49.36
C

ATOM
5424
CD1
TRP D
31
69.038
11.662
62.182
1.00
48.16
C

ATOM
5425
NE1
TPR D
31
69.104
10.289
62.204
1.00
47.61
N

ATOM
5426
CE2
TRP D
31
67.996
9.796
62.834
1.00
48.46
C

ATOM
5427
CD2
TRP D
31
67.200
10.916
63.231
1.00
47.73
C

ATOM
5428
CE3
TRP D
31
65.994
10.692
63.918
1.00
45.51
C

ATOM
5429
CZ3
TRP D
31
65.603
9.360
64.161
1.00
49.17
C

ATOM
5430
CH2
TRP D
31
66.433
8.255
63.762
1.00
48.38
C

ATOM
5431
CZ2
TRP D
31
67.630
8.461
63.106
1.00
48.67
C

ATOM
5432
C
TRP D
31
66.969
13.528
65.492
1.00
50.57
C

ATOM
5433
O
TRP D
31
65.779
13.873
65.557
1.00
50.88
O

ATOM
5434
N
CYS D
32
67.539
12.685
66.357
1.00
51.78
N

ATOM
5435
CA
CYS D
32
66.879
11.982
67.494
1.00
52.83
C

ATOM
5436
CB
CYS D
32
61.753
10.792
67.962
1.00
52.74
C

ATOM
5437
SG
CYS D
32
66.902
9.798
69.266
1.00
56.81
S

ATOM
5438
C
CYS D
32
66.637
12.843
68.746
1.00
52.75
C

ATOM
5439
O
CY3 D
32
67.584
13.190
69.464
1.00
53.54
O

ATOM
5440
N
GLY D
33
65.382
13.135
69.050
1.00
52.48
N

ATOM
5441
CA
GLY D
33
65.064
13.967
70.193
1.00
52.19
C

ATOM
5442
C
GLY D
33
65.790
13.450
71.400
1.00
52.61
C

ATOM
5443
O
GLY D
33
66.593
14.198
71.980
1.00
54.02
O

ATOM
5444
N
PRO D
34
65.550
12.177
71.776
1.00
51.66
N

ATOM
5445
CA
PRO D
34
66.189
11.656
72.988
1.00
51.96
C

ATOM
5446
CB
PRO D
34
65.729
10.178
73.073
1.00
52.97
C

ATOM
5447
CG
PRO D
34
64.796
9.943
71.891
1.00
51.56
C

ATOM
5448
CD
PRO D
34
64.648
11.212
71.120
1.00
51.30
C

ATOM
5449
C
PRO D
34
67.698
11.740
72.93
1.00
52.36
C

ATOM
5450
O
PRO D
34
60.325
12.181
73.896
1.00
52.23
O

ATOM
5451
N
ALA D
35
68.315
11.314
71.842
1.00
52.96
N

ATOM
5452
CA
ALA D
35
69.777
11.547
71.744
1.00
53.85
C

ATOM
5453
CB
ALA D
35
70.379
10.993
70.472
1.00
52.59
C

ATOM
5454
C
ALA D
35
70.160
13.035
71.948
1.00
54.03
C

ATOM
5455
O
ALA D
35
71.084
13.307
72.685
1.00
55.17
O

ATOM
5456
N
LYS D
36
69.448
13.970
71.321
1.00
54.27
N

ATOM
5457
CA
LYS D
36
69.672
15.409
71.556
1.00
54.70
C

ATOM
5458
CB
LYS D
36
68.710
16.295
70.742
1.00
54.65
C

ATOM
5459
CG
LYS D
36
69.233
16.812
69.429
1.00
53.33
C

ATOM
5450
CD
LYS D
36
68.138
17.699
68.773
1.00
59.83
C

ATOM
5461
CE
LYS D
36
66.912
16.895
63.187
1.00
59.98
C

ATOM
5462
NZ
LYS D
36
65.801
17.763
67.578
1.00
60.44
N

ATOM
5463
C
LYS D
36
69.493
15.799
73.019
1.00
54.76
C

ATOM
5464
O
LYS D
36
70.277
16.601
73.555
1.00
55.69
O

ATOM
5465
N
MET D
37
68.457
15.271
73.559
1.00
53.61
N

ATOM
5466
CA
MET D
37
68.190
15.663
75.027
1.00
53.28
C

ATOM
5467
CB
MET D
37
66.879
15.048
75.531
1.00
52.61
C

ATOM
5468
CG
MET D
37
66.504
15.416
76.952
1.00
56.86
C

ATOM
5469
SD
MET D
37
67.118
14.241
78.255
1.00
63.69
S

ATOM
5470
CE
MET D
37
65.951
12.899
77.970
1.00
63.61
C

ATOM
5471
C
MET D
37
69.393
15.346
75.929
1.00
52.83
C

ATOM
5472
O
MET D
37
69.857
16.188
76.660
1.00
53.88
O

ATOM
5473
N
ILE D
38
69.929
14.146
75.848
1.00
52.21
N

ATOM
5474
CA
ILE D
38
70.894
13.701
76.834
1.00
50.67
C

ATOM
5475
CB
ILE D
38
70.871
12.175
76.871
1.00
50.66
C

ATOM
5476
CG1
ILE D
38
71.504
11.667
78.161
1.00
51.70
C

ATOM
5477
CD1
ILE D
38
70.844
10.461
78.738
1.00
52.77
C

ATOM
5478
CG2
ILE D
38
71.554
11.630
75.673
1.00
47.00
C

ATOM
5479
C
ILE D
38
72.308
14.205
76.524
1.00
50.76
C

ATOM
5480
O
ILE D
38
73.235
14.059
77.345
1.00
49.88
O

ATOM
5481
N
LYS D
39
72.495
14.821
75.350
1.00
50.70
N

ATOM
5482
CA
LYS D
39
73.864
15.267
75.005
1.00
50.79
C

ATOM
5483
CB
LYS D
39
73.998
15.807
73.609
1.00
50.54
C

ATOM
5484
CG
LYS D
39
74.211
14.693
72.611
1.00
55.21
C

ATOM
5485
CD
LYS D
39
74.688
15.278
71.306
1.00
61.91
C

ATOM
5486
CE
LYS D
39
75.390
16.600
71.570
1.00
63.46
C

ATOM
5487
NZ
LYS D
39
76.537
16.908
70.638
1.00
67.52
N

ATOM
5488
C
LYS D
39
74.496
16.176
76.025
1.00
49.05
C

ATOM
5489
O
LYS D
39
75.572
15.869
76.492
1.00
48.83
O

ATOM
5490
N
PRO D
40
73.798
17.250
76.420
1.00
48.57
N

ATOM
5491
CA
PRO D
40
74.426
18.103
77.415
1.00
48.67
C

ATOM
5492
CB
PRO D
40
73.387
19.174
77.707
1.00
47.77
C

ATOM
5393
CG
PRO D
40
72.278
18.977
76.751
1.00
47.56
C

ATOM
5494
CD
PRO D
40
72.473
17.730
75.989
1.00
48.01
C

ATOM
5495
C
PRO D
40
74.778
17.321
78.686
1.00
49.76
C

ATOM
5496
O
PRO D
40
75.791
17.600
79.339
1.00
50.57
O

ATOM
5497
N
PHE D
41
73.976
16.320
79.040
1.00
49.71
N

ATOM
5498
CA
PHE D
41
74.241
15.642
80.280
1.00
47.87
C

ATOM
5499
CB
PHE D
41
73.024
14.927
80.859
1.00
47.97
C

ATOM
5500
CG
PHE D
41
71.888
15.866
81.169
1.00
49.45
C

ATOM
5501
CD1
PHE D
41
72.071
16.954
82.070
1.00
51.29
C

ATOM
5502
OE1
PHE D
41
71.068
17.858
82.337
1.00
47.29
C

ATOM
5503
CZ
PHE D
41
69.833
17.720
81.700
1.00
50.49
C

ATOM
5504
CE2
PHE D
41
69.620
16.664
80.791
1.00
53 96
C

ATOM
5505
CD2
PHE D
41
70.662
15.742
80.525
1.00
52.61
C

ATOM
5506
C
PHE D
41
75.399
14.783
80.058
1.00
47.69
C

ATOM
5507
O
PHE D
41
76.268
14.737
80.918
1.00
48.95
O

ATOM
5508
N
PHE D
42
75.495
14.160
78.697
1.00
47.26
N

ATOM
5509
CA
PHE D
42
76.656
13.297
78.675
1.00
48.24
C

ATOM
5510
CB
PHE D
42
76.716
12.831
77.268
1.00
48.34
C

ATOM
5511
CG
PHE D
42
77.610
11.686
77.041
1.00
47.88
C

ATOM
5512
CD1
PHE D
42
77.363
10.467
77.659
1.00
52.38
C

ATOM
5513
CE1
PHE D
42
78.187
9.331
77.430
1.00
52.87
C

ATOM
5514
CZ
PHE D
42
79.229
9.421
76.501
1.00
54.20
C

ATOM
5515
CE2
PHE D
42
79.448
10.658
75.816
1.00
53.86
C

ATOM
5516
CD2
PHR D
42
78.638
11.773
76.110
1.00
49.91
C

ATOM
5517
C
PHE D
42
77.882
14.107
78.893
1.00
49.17
C

ATOM
5518
O
PHE D
42
78.839
13.644
79.528
1.00
50.59
O

ATOM
5519
N
HIS D
43
77.830
15.338
78.384
1.00
49.13
N

ATOM
5520
CA
HIS D
43
78.920
16.297
78.483
.00
48.98
C

ATOM
5521
CB
HIS D
43
78.637
17.503
77.605
1.00
48.42
C

ATOM
5522
CG
HIS D
43
79.721
18.503
77.687
1.00
49.56
C

ATOM
5523
ND1
HIS D
43
80.878
18.395
76.940
1.00
52.17
N

ATOM
5524
CE1
HIS D
43
81.690
19.389
77.266
1.00
55.13
C

ATOM
5525
NE2
HIS D
43
81.112
20.116
78.212
1.00
53.01
N

ATOM
5526
CD2
HIS D
43
79.889
19.556
78.512
1.00
51.94
C

ATOM
5527
C
HIS D
43
79.267
16.844
79.881
1.00
49.21
C

ATOM
5528
O
HIS D
43
8.442
17.048
80.198
1.00
50.46
O

ATOM
5529
N
SER D
44
78.267
17.175
80.685
1.00
48.47
N

ATOM
5530
CA
SER D
44
78.535
17.601
82.036
1.00
48.64
C

ATOM
5531
CB
SER D
44
77.213
17.892
82.716
1.00
49.39
C

ATOM
5532
OG
SER D
44
76.539
18.968
82.122
1.00
50.57
O

ATOM
5533
C
SER D
44
79.290
16.481
82.816
1.00
48.67
C

ATOM
5534
O
SER D
44
80.299
16.740
83.506
1.00
47.70
O

ATOM
5535
N
LEU D
45
78.780
15.248
82.668
1.00
47.77
N

ATOM
5536
CA
LEU D
45
79.422
14.052
83.158
1.00
47.19
C

ATOM
5537
CB
LEU D
45
78.632
12.816
82.712
1.00
47.66
C

ATOM
5538
CG
LEU D
45
77.667
2.046
83.686
1.00
46.76
C

ATOM
5539
CD1
LEU D
45
77.138
12.824
84.893
1.00
42.70
C

ATOM
5540
CD2
LEU D
45
76.499
11.398
82.949
1.00
43.82
C

ATOM
5541
C
LEU D
45
80.880
13.933
82.742
1.00
47.13
C

ATOM
5542
O
LEU D
45
81.758
13.696
83.588
1.00
47.07
O

ATOM
5543
N
SER D
46
81.154
14.136
81.460
1.00
46.91
N

ATOM
5544
CB
SER D
46
82.531
14.040
80.980
1.00
46.63
C

ATOM
5545
CB
SER D
46
82.640
14.204
79.454
1.00
45.34
C

ATOM
5546
OG
SER D
46
82.707
15.583
79.103
1.00
47.63
O

ATOM
5547
C
SER D
46
83.449
15.019
81.726
1.00
47.13
C

ATOM
5548
O
SER D
46
84.587
14.659
82.085
1.00
46.18
O

ATOM
5549
N
GLU D
47
82.964
16.250
81.930
1.00
47.82
N

ATOM
5550
CA
GLU D
47
83.707
17.207
82.728
1.00
48.08
C

ATOM
5551
CB
GLU D
47
83.120
18.631
82.685
1.00
48.59
C

ATOM
5552
CG
GLU D
47
83.299
19.402
81.381
1.00
46.93
C

ATOM
5553
CD
GLU D
47
84.779
19.614
81.052
1.00
51.39
C

ATOM
5554
OE1
GLU D
47
85.534
20.045
81.959
1.00
55.58
O

ATOM
5555
OE2
GLU D
47
85.225
19.359
79.899
1.00
52.22
O

ATOM
5556
C
GLU D
47
83.803
16.692
84.151
1.00
48.80
C

ATOM
5557
O
GLU D
47
84.891
16.743
84.725
1.00
50.09
O

ATOM
5558
N
LYS D
48
82.736
16.148
84.735
1.00
48.96
N

ATOM
5559
CA
LYS D
48
82.910
15.649
86.126
1.00
49.83
C

ATOM
5560
CB
LYS D
48
81.606
15.487
86.912
1.00
49.59
C

ATOM
5561
CG
LYS D
48
81.753
14.829
88.308
1.00
47.62
C

ATOM
5562
CD
LYS D
48
80.460
13.976
88.572
1.00
48.60
C

ATOM
5563
CE
LYS D
48
80.006
13.843
90.060
1.00
48.31
C

ATOM
5564
NZ
LYS D
48
80.111
15.045
90.964
1.00
45.74
N

ATOM
5565
C
LYS D
48
83.793
14.424
86.277
1.00
50.49
C

ATOM
5566
O
LYS D
48
84.713
14.453
87.038
1.00
51.24
O

ATOM
5567
N
TYR D
49
83.522
13.360
85.557
1.00
51.22
N

ATOM
5568
CA
TYR D
49
84.287
12.143
85.729
1.00
53.15
C

ATOM
5569
CB
TYR D
49
83.418
10.907
85.435
1.00
53.73
C

ATOM
5570
CG
TYR D
49
82.295
10.770
86.439
1.00
55.99
C

ATOM
5571
CD1
TYR D
49
82.497
10.134
87.654
1.00
55.45
C

ATOM
5572
CE1
TYR D
49
81.457
10.029
88.602
1.00
55.08
C

ATOM
5573
CZ
TYR D
49
80.212
10.547
88.323
1.00
54.40
C

ATOM
5574
PH
TYR D
49
79.177
10.436
89.225
1.00
50.49
O

ATOM
5575
CE2
TYR D
49
79.996
11.173
87.121
1.00
57.43
C

ATOM
5576
CD2
TYR D
49
81.034
11.290
86.176
1.00
56.58
C

ATOM
5577
C
TYR D
49
85.504
12.143
84.851
1.00
53.50
C

ATOM
5578
O
TYR D
49
85.596
11.370
83.894
1.00
53.88
O

ATOM
5579
N
SER D
50
86.451
12.993
85.195
1.00
54.64
N

ATOM
5580
CA
SER D
50
87.593
13.240
84.337
1.00
56.41
C

ATOM
5581
CB
SER D
50
88.346
14.476
84.820
1.00
56.92
C

ATOM
5582
OG
SER D
50
88.731
14.315
86.183
1.00
59.07
O

ATOM
5583
C
SER D
50
88.562
12.068
84.213
1.00
56.95
C

ATOM
5584
O
SER D
50
89.534
12.156
83.429
1.00
57.07
O

ATOM
5585
N
ASN D
51
88.300
10.995
84.972
1.00
57.07
N

ATOM
5586
CA
ASN D
51
89.066
9.733
84.890
1.00
57.19
C

ATOM
5587
CB
ASN D
51
89.302
9.172
86.287
1.00
58.46
C

ATOM
5588
CG
ASN D
51
88.166
9.535
87.280
1.00
52.00
C

ATOM
5589
OD1
ASN D
51
86.967
9.648
86.907
1.00
60.93
O

ATOM
5590
ND2
ASN D
51
88.560
9.743
88.560
1.00
63.33
N

ATOM
5591
C
ASN D
51
88.410
8.646
84.060
1.00
56.21
C

ATOM
5592
O
ASN D
51
88.815
7.499
84.096
1.00
56.50
O

ATOM
5593
N
VAL D
52
87.388
9.014
83.316
1.00
55.25
N

ATOM
5594
CA
VAL D
52
86.630
8.098
82.511
1.00
54.26
C

ATOM
5595
CB
VAL D
52
85.166
8.158
82.941
1.00
53.99
C

ATOM
5596
CG1
VAL D
52
84.252
7.451
81.973
1.00
54.27
C

ATOM
5597
CG2
VAL D
52
84.991
7.560
84.284
1.00
53.01
C

ATOM
5598
C
VAL D
52
86.786
8.786
81.184
1.00
54.70
C

ATOM
5599
O
VAL D
52
86.930
10.008
81.161
1.00
55.86
O

ATOM
5600
N
ILE D
53
86.812
8.024
80.089
1.00
54.03
N

ATOM
5601
CA
ILE D
53
86.920
8.585
78.737
1.00
53.20
C

ATOM
5602
CB
ILE D
53
88.096
7.932
77.891
1.00
53.71
C

ATOM
5603
CG1
ILE D
53
89.452
8.585
78.312
1.00
52.53
C

ATOM
5604
CD1
ILE D
53
90.611
7.606
77.887
1.00
53.56
C

ATOM
5605
CG2
ILE D
53
87.932
8.161
76.384
1.00
51.53
C

ATOM
5606
C
IEL D
53
85.581
8.470
78.017
1.00
52.66
C

ATOM
5607
O
ILE D
53
84.901
7.422
78.078
1.00
52.46
O

ATOM
5608
N
PHE D
54
85.238
9.554
77.323
1.00
51.30
N

ATOM
5609
CA
PHE D
54
83.921
9.759
76.811
1.00
51.11
C

ATOM
5610
CB
PHE D
54
83.325
11.003
77.452
1.00
50.89
C

ATOM
5611
CG
PHE D
54
82.936
10.840
78.883
1.00
51.47
C

ATOM
5612
CD1
PHE D
54
83.883
10.842
79.889
1.00
51.39
C

ATOM
5613
CE1
PHE D
54
83.501
10.704
81.220
1.00
48.37
C

ATOM
5614
CZ
PHE D
54
82.154
10.588
87.572
1.00
48.88
C

ATOM
5615
CE2
PHE D
54
81.213
10.599
80.635
1.00
50.38
C

ATOM
5616
CD2
PHE D
54
81.600
10.728
79.249
1.00
4.14
C

ATOM
5617
C
PHE D
54
83.961
9.946
75.305
1.00
51.64
C

ATOM
5618
O
PHE D
54
84.545
10.918
74.769
1.00
52.31
O

ATOM
5619
N
LEU D
55
83.315
9.050
74.599
1.00
51.54
N

ATOM
5620
CA
LEU D
55
83.318
9.161
73.160
1.00
53.26
C

ATOM
5621
CB
LEU D
55
83.927
7.907
72.494
1.00
53.85
C

ATOM
5622
CG
LEU D
55
85.248
7.430
73.120
1.00
53.84
C

ATOM
5623
CD1
LEU D
55
85.861
6.195
72.443
1.00
49.51
C

ATOM
5624
CD2
LEU D
55
86.194
8.650
73.096
1.00
54.23
C

ATOM
5625
C
LEU D
55
81.897
9.345
72.694
1.00
53.94
C

ATOM
5626
O
LEU D
55
80.933
8.965
73.399
1.00
54.07
O

ATOM
5627
N
GLU D
56
81.763
9.968
71.528
1.00
54.12
N

ATOM
5628
CA
GLU D
56
80.503
9.954
70.840
1.00
54.71
C

ATOM
5629
CB
GLU D
56
79.949
11.331
70.739
1.00
54.09
C

ATOM
5630
CG
GLU D
56
78.471
11.277
70.523
1.00
59.81
C

ATOM
5631
CD
GLU D
56
77.937
12.453
69.746
1.00
65.24
C

ATOM
5632
OE1
GLU D
56
77.354
13.383
70.351
1.00
68.48
O

ATOM
5633
OE2
GLU D
56
78.107
12.444
68.521
1.00
69.99
O

ATOM
5634
C
GLU D
56
80.769
9.366
69.428
1.00
54.92
C

ATOM
5635
O
GLU D
56
81.742
9.593
68.745
1.00
55.38
O

ATOM
5636
N
VAL D
57
79.655
8.615
69.000
1.00
52.70
N

ATOM
5637
CA
VAL D
57
79.611
8.097
67.661
1.00
51.63
C

ATOM
5638
CB
VAL D
57
79.828
6.581
67.642
1.00
51.25
C

ATOM
5639
CG1
VAL D
57
79.586
6.048
66.259
1.00
48.88
C

ATOM
5640
CG2
VAL D
57
81.202
6.232
68.130
1.00
48.90
C

ATOM
5641
C
VAL D
57
78.285
8.404
66.965
1.00
52.21
C

ATOM
5642
O
VAL D
57
77.221
8.004
67.417
1.00
51.86
O

ATOM
5643
N
ASP D
58
78.361
9.071
65.824
1.00
52.60
N

ATOM
5644
CA
ASP D
58
77.181
9.242
65.027
1.00
53.08
C

ATOM
5645
CB
ASP D
58
77.307
10.437
64.128
1.00
52.74
C

ATOM
5646
CG
ASP D
58
75.966
10.912
63.643
1.00
54.45
C

ATOM
5647
OD1
ASP D
58
75.441
10.319
62.695
1.00
57.86
O

ATOM
5648
OD2
ASP D
58
75.423
11.881
64.220
1.00
57.66
O

ATOM
5649
C
ASP D
58
76.906
8.007
64.205
1.00
53.32
C

ATOM
5650
O
ASP D
58
77.706
7.636
63.330
1.00
53.70
O

ATOM
5651
N
VAL D
59
75.776
7.365
64.496
1.00
53.07
N

ATOM
5652
CA
VAL D
59
75.404
6.138
63.782
1.00
52.07
C

ATOM
5653
CB
VAL D
59
74.150
5.450
64.383
1.00
51.85
C

ATOM
5654
CG1
VAL D
59
74.380
5.191
65.846
1.00
50.21
C

ATOM
5655
CG2
VAL D
59
72.859
6.317
64.179
1.00
49.76
C

ATOM
5656
C
VAL D
59
75.170
6.415
62.312
1.00
52.59
C

ATOM
5657
O
VAL D
59
75.222
5.479
61.511
1.00
53.63
O

ATOM
5658
N
ASP D
60
74.887
7.668
61.938
1.00
52.02
N

ATOM
5659
CA
ASP D
60
74.704
7.953
60.514
1.00
52.50
C

ATOM
5660
CB
ASP D
60
73.659
9.009
60.223
1.00
51.18
C

ATOM
5661
CG
ASP D
60
72.246
8.536
60.581
1.00
52.96
C

ATOM
5662
OD1
ASP D
60
71.433
9.287
61.133
1.00
53.06
O

ATOM
5663
OD2
ASP D
60
71.915
7.374
60.336
1.00
56.80
O

ATOM
5664
C
ASP D
60
76.048
8.190
59.851
1.00
53.67
C

ATOM
5665
O
ASP D
60
76.281
7.731
58.721
1.00
54.41
O

ATOM
5666
N
ASP D
61
76.962
8.836
60.563
1.00
54.52
N

ATOM
5667
CA
ASP D
61
78.277
9.053
60.000
1.00
56.24
C

ATOM
5668
CB
ASP D
61
79.035
10.124
60.770
1.00
56.09
C

ATOM
5669
CG
ASP D
61
78.313
11.461
60.763
1.00
55.67
C

ATOM
5670
OD1
ASP D
61
77.468
11.723
59.867
1.00
55.35
O

ATOM
5671
OD2
ASP D
61
78.611
12.258
61.666
1.00
53.18
O

ATOM
5672
C
ASP D
61
79.061
7.750
59.922
1.00
57.82
C

ATOM
5673
O
ASP D
61
79.621
7.412
58.863
1.00
58.69
O

ATOM
5674
N
CYS D
62
79.063
6.994
66.013
1.00
58.77
N

ATOM
5675
CA
CYS D
62
79.756
5.733
61.025
1.00
60.30
C

ATOM
5676
CB
CYS D
62
80.703
5.722
62.211
1.00
61.16
C

ATOM
5677
SG
CYS D
62
81.637
7.235
62.260
1.00
67.60
S

ATOM
5678
C
CYS D
62
78.842
4.567
61.187
1.00
60.03
C

ATOM
5679
O
CYS D
62
78.886
3.917
62.216
1.00
60.25
O

ATOM
5680
N
GLN D
63
78.023
4.240
60.205
1.00
60.29
N

ATOM
5681
CA
GLN D
63
77.216
3.047
60.413
1.00
60.93
C

ATOM
5682
CB
GLN D
63
76.225
2.794
59.299
1.00
60.82
C

ATOM
5683
CG
GLN D
63
75.410
3.979
58.936
1.00
65.33
C

ATOM
5684
CD
GLN D
63
75.780
4.552
57.567
1.00
70.28
C

ATOM
5685
OE1
GLN D
63
74.908
4.672
56.685
1.00
66.63
O

ATOM
5686
NE2
GLN D
63
77.086
4.926
57.401
1.00
71.94
N

ATOM
5687
C
GLN D
63
78.058
1.805
60.632
1.00
60.15
C

ATOM
5688
O
GLN D
63
77.553
0.787
61.071
1.00
60.32
O

ATOM
5689
N
ASP D
64
79.338
1.865
60.323
1.00
60.42
N

ATOM
5690
CA
ASP D
64
80.133
0.625
60.395
1.00
60.90
C

ATOM
5691
CB
ASP D
64
81.280
0.535
59.369
1.00
60.73
C

ATOM
5692
CG
ASP D
64
82.071
1.807
59.258
1.00
62.29
C

ATOM
5693
OD1
ASP D
64
81.601
2.856
59.757
1.00
62.78
O

ATOM
5694
OD2
ASP D
64
83.186
1.736
58.669
1.00
62.93
O

ATOM
5695
C
ASP D
64
80.567
0.333
61.807
1.00
60.29
C

ATOM
5696
O
ASP D
64
80.475
−0.830
62.252
1.00
60.27
O

ATOM
5697
N
VAL D
65
80.959
1.396
62.525
1.00
59.76
N

ATOM
5698
CA
VAL D
65
81.217
1.309
63.968
1.00
58.82
C

ATOM
5699
CB
VAL D
65
81.729
2.638
64.556
1.00
58.76
C

ATOM
5700
CG1
VAL D
65
81.872
2.552
66.072
1.00
59.87
C

ATOM
5701
CG2
VAL D
65
83.064
2.985
63.977
1.00
60.11
C

ATOM
5702
C
VAL D
65
79.905
0.858
64.594
1.00
57.96
C

ATOM
5703
O
VAL D
65
79.865
−0.158
65.297
1.00
58.12
O

ATOM
5704
N
ALA D
66
78.836
1.579
64.263
1.00
56.97
N

ATOM
5705
CA
ALA D
66
77.461
1.248
64.664
1.00
56.69
C

ATOM
5706
CB
ALA D
66
76.482
2.120
63.900
1.00
56.28
C

ATOM
5707
C
ALA D
66
77.038
−0.236
64.568
1.00
56.48
C

ATOM
5708
O
ALA D
66
76.461
−0.800
65.505
1.00
56.74
O

ATOM
5709
N
SER D
67
77.301
−0.889
63.456
1.00
56.29
N

ATOM
5710
CA
SER D
67
76.835
−2.248
63.340
1.00
56.81
C

ATOM
5711
CB
SER D
67
76.484
−2.563
61.900
1.00
56.77
C

ATOM
5712
OG
SER D
67
77.647
−2.429
61.170
1.00
57.21
O

ATOM
5713
C
SER D
67
77.869
−3.244
63.825
1.00
57.00
C

ATOM
5714
O
SER D
67
77.552
−4.428
64.105
1.00
57.13
O

ATOM
5715
N
GLU D
68
79.114
−2.803
63.889
1.00
56.34
N

ATOM
5716
CA
GLU D
68
80.085
−3.700
64.409
1.00
56.84
C

ATOM
5717
CB
GLU D
68
81.459
−3.171
64.132
1.00
58.05
C

ATOM
5718
CG
GLU D
68
82.552
−4.223
64.103
1.00
60.94
C

ATOM
5719
CD
GLU D
68
83.703
−3.756
63.242
1.00
66.23
C

ATOM
5720
OE1
GLU D
68
83.448
3.668
62.003
1.00
68.99
O

ATOM
5721
OE1
GLU D
68
84.823
−3.463
63.797
1.00
66.63
O

ATOM
5722
C
GLU D
68
79.823
−3.807
65.896
1.00
56.34
C

ATOM
5723
O
GLU D
68
79.937
−4.888
66.483
1.00
56.42
O

ATOM
5724
N
CYS D
69
79.420
−2.683
66.486
1.00
55.42
N

ATOM
5725
CA
CYS D
69
78.966
−2.650
67.848
1.00
54.16
C

ATOM
5726
CB
CYS D
69
79.156
−1.263
68.362
1.00
54.59
C

ATOM
5727
SG
CYS D
69
80.897
−0.770
68.434
1.00
56.88
S

ATOM
5728
C
CYS D
69
77.521
−3.074
68.053
1.00
53.87
C

ATOM
5729
O
CYS D
69
77.044
−3.143
69.186
1.00
54.10
O

ATOM
5730
N
GLU D
70
76.792
−3.352
66.985
1.00
83.86
N

ATOM
5731
CA
GLU D
70
75.419
−3.886
67.145
1.00
54.36
C

ATOM
5732
CB
GLU D
70
75.389
−5.226
67.928
1.00
54.60
C

ATOM
5733
CG
GLU D
70
76.094
−6.402
67.232
1.00
56.17
C

ATOM
5734
CD
GLU D
70
75.864
−7.748
67.960
1.00
58.13
C

ATOM
5735
OE1
GLU D
70
76.416
−7.495
69.068
1.00
56.94
O

ATOM
5736
OE2
GLU D
70
75.121
−8.602
67.421
1.00
59.03
O

ATOM
5737
C
GLU D
70
74.430
−2.868
67.762
1.00
53.54
C

ATOM
5738
O
GLU D
70
73.419
−3.229
68.365
1.00
53.70
O

ATOM
5739
N
VAL D
71
74.696
−1.594
67.552
1.00
52.32
N

ATOM
5740
CA
VAL D
71
73.760
−0.591
67.982
1.00
51.71
C

ATOM
5741
CB
VAL D
71
74.380
0.773
67.856
1.00
50.93
C

ATOM
5742
CG1
VAL D
71
73.449
1.841
68.317
1.00
50.05
C

ATOM
5743
CG2
VAL D
71
75.572
0.781
68.740
1.00
52.33
C

ATOM
5744
C
VAL D
71
72.444
−0.736
67.223
1.00
51.53
C

ATOM
5745
O
VAL D
71
72.439
−0.949
66.017
1.00
51.25
O

ATOM
5746
N
LYS D
72
71.335
−0.671
67.943
1.00
51.68
N

ATOM
5747
CA
LYS D
72
70.036
−0.846
67.292
1.00
52.83
C

ATOM
5748
CB
LYS D
72
69.351
−2.148
67.745
1.00
53.15
C

ATOM
5749
CG
LYS D
72
69.937
−3.351
67.024
1.00
54.90
C

ATOM
5750
CD
LYS D
72
69.954
−4.606
67.861
1.00
57.92
C

ATOM
5751
CE
LYS D
72
70.158
−5.780
66.902
1.00
59.33
C

ATOM
5752
NZ
LYS D
72
70.461
−7.006
67.655
1.00
62.16
N

ATOM
5753
C
LYS D
72
69.101
0.348
67.390
1.00
52.36
C

ATOM
5754
O
LYS D
72
68.194
0.515
66.567
1.00
53.06
O

ATOM
5755
N
CYS D
73
69.324
1.168
68.394
1.00
50.96
N

ATOM
5756
CA
CYS D
73
68.547
2.336
68.559
1.00
50.77
C

ATOM
5757
CB
CYS D
73
67.388
2.060
69.466
1.00
50.71
C

ATOM
5758
SG
CYS D
73
67.937
1.464
71.013
1.00
53.98
S

ATOM
5759
C
CYS D
73
69.444
3.319
69.218
1.00
50.46
C

ATOM
5760
O
CYS D
73
70.560
2.991
69.616
1.00
49.67
O

ATOM
5761
N
MEY D
74
68.948
4.532
69.331
1.00
50.26
N

ATOM
5762
CA
MET D
74
69.708
5.585
69.961
1.00
50.87
C

ATOM
5763
CB
MET D
74
70.290
6.547
68.893
1.00
51.40
C

ATOM
5764
CG
MET D
74
71.246
5.901
67.867
1.00
53.25
C

ATOM
5765
SD
MET D
74
70.493
4.839
66.572
1.00
58.32
S

ATOM
5766
CE
MET D
74
69.711
8.035
65.493
1.00
49.70
C

ATOM
5767
C
MET D
74
68.810
6.353
70.957
1.00
50.14
C

ATOM
5768
O
MET D
74
67.586
6.430
70.754
1.00
50.11
O

ATOM
5769
N
PRO D
75
69.421
6.948
72.003
1.00
49.13
N

ATOM
5770
CA
PRO D
75
70.845
6.754
72.298
1.00
48.61
C

ATOM
5771
CB
PRO D
75
71.137
7.812
73.380
1.00
48.35
C

ATOM
5772
CG
PRO D
75
69.867
7.993
74.095
1.00
49.14
C

ATOM
5773
CD
PRO D
75
68.798
7.904
72.937
1.00
49.18
C

ATOM
5774
C
PRO D
75
71.079
5.384
72.912
1.00
48.02
C

ATOM
5775
O
PRO D
75
70.300
4.995
73.780
1.00
47.47
O

ATOM
5776
N
THR D
76
72.150
4.701
72.485
1.00
47.60
N

ATOM
5777
CA
THR D
76
72.684
3.523
73.165
1.00
47.90
C

ATOM
5778
CB
THR D
76
72.668
2.260
72.218
1.00
48.33
C

ATOM
5779
OG1
THR D
76
71.324
1.773
72.081
1.00
47.31
O

ATOM
5780
CG2
THR D
76
73.564
1.112
72.751
1.00
46.92
C

ATOM
5781
C
THR D
76
74.099
3.796
73.717
1.00
48.50
C

ATOM
5782
O
THR D
76
74.953
4.343
73.015
1.00
47.95
O

ATOM
5783
N
PHE D
77
74.348
3.353
74.955
1.00
48.91
N

ATOM
5784
CA
PHE D
77
75.596
3.621
75.669
1.00
48.90
C

ATOM
5785
CB
PHE D
77
75.291
4.267
77.016
1.00
48.48
C

ATOM
5786
CG
PHE D
77
74.780
5.611
76.885
1.00
47.74
C

ATOM
5787
CD1
PHE D
77
75.640
6.659
76.670
1.00
45.29
C

ATOM
5788
CE1
PHE D
77
75.149
7.942
76.495
1.00
48.52
C

ATOM
5789
CZ
PHE D
77
73.780
8.202
76.472
1.00
45.47
C

ATOM
5790
CE2
PHE D
77
72.915
7.169
76.660
1.00
51.08
C

ATOM
5791
CD2
PHE D
77
73.414
5.838
76.857
1.00
50.16
C

ATOM
5792
C
PHE D
77
76.368
2.351
75.930
1.00
50.39
C

ATOM
5793
O
PHE D
77
75.815
1.428
76.516
1.00
50.67
O

ATOM
5794
N
GLN D
78
77.629
2.324
75.508
1.00
50.75
N

ATOM
5795
CA
GLN D
78
78.397
1.133
75.689
1.00
52.73
C

ATOM
5796
CB
GLN D
78
78.759
0.509
74.359
1.00
52.89
C

ATOM
5797
CG
GLN D
78
77.575
0.029
73.632
1.00
54.38
C

ATOM
5798
CD
GLN D
78
77.896
−0.859
72.469
1.00
54.32
C

ATOM
5799
OE1
GLN D
78
78.977
−0.796
71.875
1.00
54.25
O

ATOM
5800
NE2
GLN D
78
76.933
−1.689
72.118
1.00
50.87
N

ATOM
5801
C
GLN D
78
79.647
1.487
76.447
1.00
54.25
C

ATOM
5802
O
GLN D
78
80.155
2.636
76.331
1.00
54.29
O

ATOM
5803
N
PHE D
79
80.141
0.492
77.192
1.00
54.63
N

ATOM
5804
CA
PHE D
79
81.132
0.710
78.225
1.00
55.50
C

ATOM
5805
CB
PHE D
79
80.521
0.394
79.552
1.00
55.49
C

ATOM
5806
CG
PHE D
79
79.539
1.376
79.956
1.00
55.96
C

ATOM
5807
CD1
PHE D
79
78.233
1.253
79.564
1.00
57.44
C

ATOM
5808
CE1
PHE D
79
77.313
2.245
70.937
1.00
60.12
C

ATOM
5809
CZ
PHE D
79
77.722
3.366
80.768
1.00
54.67
C

ATOM
5810
CE2
PHE D
79
79.011
3.459
81.059
1.00
54.58
C

ATOM
5811
CD2
PHE D
79
79.925
2.490
80.570
1.00
54.16
C

ATOM
5812
C
PHE D
79
82.260
−0.218
78.042
1.00
56.64
C

ATOM
5813
O
PHE D
79
82.082
−1.439
77.967
1.00
57.51
O

ATOM
5814
N
PHE D
80
83.447
0.335
77.981
1.00
57.48
N

ATOM
5815
CA
PHE D
80
84.581
−0.497
77.664
1.00
58.12
C

ATOM
5816
CB
PHE D
80
85.084
−0.123
76.302
1.00
57.71
C

ATOM
5817
CG
PHE D
80
84.134
−0.398
75.199
1.00
55.33
C

ATOM
5818
CD1
PHE D
80
83.174
0.544
74.686
1.00
53.34
C

ATOM
5819
CE1
PHE D
80
82.317
0.305
73.762
1.00
53.29
C

ATOM
5820
CZ
PHE D
80
82.425
−0.885
73.030
1.00
51.47
C

ATOM
5821
CE2
PHE D
80
83.388
−1.842
73.386
1.00
50.55
C

ATOM
5822
CD2
PHE D
80
84.241
−1.582
74.455
1.00
54.07
C

ATOM
5823
C
PHE D
80
85.724
−0.396
78.668
1.00
59.53
C

ATOM
5824
O
PHE D
80
85.707
0.445
79.573
1.00
60.43
O

ATOM
5825
N
LYS D
81
86.705
−1.281
78.483
1.00
61.27
N

ATOM
5826
CA
LYS D
81
87.858
−1.530
79.376
1.00
62.09
C

ATOM
5827
CB
LYS D
81
87.439
−2.216
80.681
1.00
61.83
C

ATOM
5828
CG
LYS D
81
87.411
−1.301
81.892
1.00
63.24
C

ATOM
5829
CD
LYS D
81
86.857
−1.996
83.182
1.00
65.11
C

ATOM
5830
CE
LYS D
81
86.763
−0.972
84.348
1.00
65.69
C

ATOM
5831
NZ
LYS D
81
88.157
−0.573
84.862
1.00
65.82
N

ATOM
5832
C
LYS D
81
88.778
2.469
70.609
1.00
62.40
C

ATOM
5833
O
LYS D
81
88.368
−3.581
78.240
1.00
62.20
O

ATOM
5834
N
LYS D
82
90.002
−2.006
78.335
1.00
63.21
N

ATOM
5835
CA
LYS D
82
91.013
−2.855
77.725
1.00
63.42
C

ATOM
5836
CB
LYS D
82
91.346
−3.973
78.717
1.00
63.27
C

ATOM
5837
CG
LYS D
82
92.369
−3.608
79.807
1.00
61.93
C

ATOM
5838
CD
LYS D
82
93.679
−4.401
79.606
1.00
59.09
C

ATOM
5839
CE
LYS D
82
93.384
−5.868
79.183
1.00
57.82
C

ATOM
5840
NZ
LYS D
82
94.366
−6.859
79.716
1.00
57.22
N

ATOM
5841
C
LYS D
82
90.552
3.435
76.369
1.00
63.93
C

ATOM
5842
O
LYS D
82
90.937
−4.545
75.992
1.00
64.21
O

ATOM
5843
N
GLY D
83
89.713
−2.677
75.654
1.00
64.61
N

ATOM
5844
CA
GLY D
83
89.190
−3.068
74.327
1.00
65.06
C

ATOM
5845
C
GLY D
83
87.875
−3.845
74.334
1.00
65.10
C

ATOM
5846
O
GLY D
83
81.357
−4.211
73.269
1.00
64.87
O

ATOM
5847
N
GLN D
84
87.319
−4.041
75.532
1.00
65.14
N

ATOM
5848
CA
GLN D
84
86.332
−5.079
75.806
1.00
65.29
C

ATOM
5849
CB
GLN D
84
86.970
−6.108
76.705
1.00
65.39
C

ATOM
5850
CG
GLN D
84
88.000
−6.942
76.030
1.00
67.85
C

ATOM
5851
CD
GLN D
84
87.376
−8.208
75.468
1.00
71.15
C

ATOM
5852
OE1
GLN D
84
86.806
−8.196
74.372
1.00
71.43
O

ATOM
5853
NE2
GLN D
84
87.460
−9.306
76.227
1.00
70.30
N

ATOM
5854
C
GLN D
84
85.076
−4.561
76.533
1.00
64.76
C

ATOM
5855
O
GLN D
84
85.209
−3.866
77.552
1.00
65.15
O

ATOM
5855
N
LYS D
85
83.880
−4.942
76.057
1.00
63.56
N

ATOM
5857
CA
LYS D
85
82.607
−4.391
76.586
1.00
62.26
C

ATOM
5858
CB
LYS D
85
81.480
4.573
75.595
1.00
62.32
C

ATOM
5859
CG
LYS D
85
80.075
−4.547
76.241
1.00
61.63
C

ATOM
5860
CD
LYS D
85
79.023
−4.071
75.282
1.00
60.95
C

ATOM
5861
CE
LYS D
85
78.644
−5.165
74.312
1.00
63.54
C

ATOM
5862
NZ
LYS D
85
78.477
−4.524
72.934
1.00
66.61
N

ATOM
5863
C
LYS D
85
82.173
−4.955
77.917
1.00
61.47
C

ATOM
5864
O
LYS D
85
82.017
−6.164
78.065
1.00
61.44
O

ATOM
5865
N
VAL D
86
81.932
−4.071
78.875
1.00
60.81
N

ATOM
5866
CA
VAL D
86
81.552
−4.493
80.225
1.00
60.19
C

ATOM
5867
CB
VAL D
86
82.570
−4.030
81.269
1.00
59.86
C

ATOM
5868
CG1
VAL D
86
83.862
−4.823
81.140
1.00
60.18
C

ATOM
5869
CG2
VAL D
86
82.853
−2.557
91.111
1.00
60.12
O

ATOM
5870
C
VAL D
86
80.173
−3.979
80.597
1.00
59.88
C

ATOM
5871
O
VAL D
86
79.628
−4.270
81.679
1.00
60.59
O

ATOM
5872
N
GLY D
87
79.593
−3.222
79.694
1.00
59.15
N

ATOM
5873
CA
GLY D
87
78.340
−2.595
80.008
1.00
59.02
C

ATOM
5874
C
GLY D
87
77.649
−2.097
78.770
1.00
58.64
C

ATOM
5875
O
GLY D
87
78.292
−1.805
77.727
1.00
58.30
O

ATOM
5876
N
GLU D
88
76.328
−1.994
78.911
1.00
58.03
N

ATOM
5877
CA
GLU D
88
75.471
−1.496
77.857
1.00
57.61
C

ATOM
5878
CB
GLU D
88
75.423
−2.472
76.701
1.00
58.22
C

ATOM
5879
CG
GLU D
88
75.126
−1.764
75.406
1.00
62.56
C

ATOM
5880
CD
GLU D
88
74.986
−2.712
74.232
1.00
65.54
C

ATOM
5881
OE1
GLU D
88
75.475
−3.875
74.330
1.00
66.13
O

ATOM
5882
OE2
GLU D
88
74.363
−2.291
73.224
1.00
65.37
O

ATOM
5883
C
GLU D
88
74.065
−1.297
78.299
1.00
55.80
C

ATOM
5884
O
GLU D
88
73.513
−2.126
78.998
1.00
56.63
O

ATOM
5885
N
PHE D
89
73.464
−0.210
77.846
1.00
54.42
N

ATOM
5886
CA
PHE D
89
72.032
−0.059
77.944
1.00
52.06
C

ATOM
5887
CB
PHE D
89
71.637
0.382
79.325
1.00
52.42
C

ATOM
5888
CG
PHE D
89
71.895
1.814
79.584
1.00
52.00
C

ATOM
5889
CD1
PHE D
89
70.955
2.792
79.176
1.00
50.26
C

ATOM
5890
CE1
PHE D
89
71.186
4.102
79.424
1.00
49.97
C

ATOM
5891
CZ
PHE D
89
72.386
4.489
80.120
1.00
51.53
C

ATOM
5892
CE2
PHE D
89
73.314
3.531
80.499
1.00
49.22
C

ATOM
5893
CD2
PHE D
89
73.059
2.198
80.232
1.00
49.15
C

ATOM
5894
C
PHE D
89
71.635
0.978
76.988
1.00
50.51
N

ATOM
5895
O
PHE D
89
72.500
1.668
76.445
1.00
49.81
O

ATOM
5896
N
SER D
90
70.328
1.097
76.784
1.00
49.48
N

ATOM
5897
CA
SER D
90
69.825
2.083
75.840
1.00
49.88
C

ATOM
5898
CB
SER D
90
69.277
1.388
74.606
1.00
50.04
C

ATOM
5899
OG
SER D
90
70.150
0.339
74.238
1.00
52.42
O

ATOM
5900
C
SER D
90
68.818
3.071
76.420
1.00
49.43
C

ATOM
5901
O
SER D
90
68.161
2.797
77.441
1.00
49.36
O

ATOM
5902
N
GLY D
91
68.735
4.243
75.816
1.00
49.13
N

ATOM
5903
CA
GLY D
91
67.703
5.189
76.198
1.00
51.25
C

ATOM
5904
C
GLY D
91
68.195
6.435
76.855
1.00
52.38
C

ATOM
5905
O
GLY D
91
69.226
6.435
77.607
1.00
52.15
O

ATOM
5906
N
ALA D
92
67.471
7.528
76.673
1.00
54.23
N

ATOM
5907
CA
ALA D
92
67.956
8.786
77.201
1.00
56.43
C

ATOM
5908
CB
ALA D
92
67.345
9.900
76.481
1.00
56.17
C

ATOM
5909
C
ALA D
92
67.679
8.886
78.709
1.00
58.45
C

ATOM
5910
O
ALA D
92
66.704
9.538
79.122
1.00
60.93
O

ATOM
5911
N
ASN D
93
68.540
8.272
79.531
1.00
58.67
N

ATOM
5912
CA
ASN D
93
68.312
8.183
80.971
1.00
58.16
C

ATOM
5913
CB
ASN D
93
67.950
6.741
81.289
1.00
58.71
C

ATOM
5914
CG
ASN D
93
57.436
6.584
82.698
1.00
59.03
C

ATOM
5915
OD1
ASN D
93
67.736
7.335
83.604
1.00
62.54
O

ATOM
5916
ND2
ASN D
93
66.655
5.547
82.886
1.00
57.97
N

ATOM
5917
C
ASN D
93
69.506
8.624
81.848
1.00
58.11
C

ATOM
5918
O
ASN D
93
70.332
7.803
82.235
1.00
57.60
O

ATOM
5919
N
LYS D
94
69.565
9.914
82.182
1.00
58.70
N

ATOM
5920
CA
LYS D
94
70.670
10.488
82.964
1.00
59.28
C

ATOM
5921
CB
LYS D
94
70.319
11.883
83.490
1.00
59.85
C

ATOM
5922
CG
LYS D
94
69.861
12.903
82.463
1.00
62.94
C

ATOM
5923
CD
LYS D
94
69.251
14.137
83.172
1.00
65.98
C

ATOM
5924
CE
LYS D
94
67.809
13.901
83.697
1.00
68.13
C

ATOM
5925
NZ
LYS D
94
67.455
14.912
84.744
1.00
66.83
N

ATOM
5926
C
LYS D
94
71.019
9.618
84.155
1.00
58.66
C

ATOM
5927
O
LYS D
94
72.186
9.261
84.356
1.00
59.82
O

ATOM
5928
N
GLU D
95
70.008
9.290
84.949
1.00
57.29
N

ATOM
5929
CA
GLU D
95
70.212
8.578
86.197
1.00
56.70
C

ATOM
5930
CB
GLU D
95
68.889
8.383
86.962
1.00
57.79
C

ATOM
5931
CG
GLU D
95
68.291
9.646
87.593
1.00
59.74
C

ATOM
5932
CD
GLU D
95
68.015
10.747
86.588
1.00
63.88
C

ATOM
5933
OE1
GLU D
95
67.885
10.479
85.373
1.00
66.59
O

ATOM
5934
OE2
GLU D
95
67.930
11.909
87.004
1.00
66.66
O

ATOM
5935
C
GLU D
95
70.851
7.242
85.916
1.00
55.08
C

ATOM
5936
O
GLU D
95
71.867
6.925
86.496
1.00
55.47
O

ATOM
5937
N
LYS D
96
70.286
6.478
84.990
1.00
53.68
N

ATOM
5938
CA
LYS D
96
70.831
5.151
84.674
1.00
52.31
C

ATOM
5939
CB
LYS D
96
69.941
4.380
83.670
1.00
52.51
C

ATOM
5940
CG
LYS D
96
70.480
2.987
83.441
1.00
52.99
C

ATOM
5941
CD
LYS D
96
69.561
2.081
82.736
1.00
56.79
C

ATOM
5942
CE
LYS D
96
69.954
0.634
83.061
1.00
59.97
C

ATOM
5943
NZ
LYS D
96
69.106
−0.245
82.198
1.00
62.61
N

ATOM
5944
C
LYS D
96
72.276
5.211
84.204
1.00
50.88
C

ATOM
5945
O
LYS D
96
73.117
4.372
84.614
1.00
49.57
O

ATOM
5946
N
LEU D
97
72.520
6.204
83.346
1.00
49.96
N

ATOM
5947
CA
LEU D
97
73.838
6.604
82.866
1.00
50.42
C

ATOM
5948
CB
LEU D
97
73.704
7.847
82.017
1.00
50.62
C

ATOM
5949
CG
LEU D
97
74.967
8.457
81.455
1.00
52.10
C

ATOM
5950
CD1
LEU D
97
75.760
7.485
80.629
1.00
51.91
C

ATOM
5951
CD2
LEU D
97
74.642
9.697
80.636
1.00
51.62
C

ATOM
5952
C
I EU D
97
74.848
6.858
83.987
1.00
50.58
C

ATOM
5953
O
LEU D
97
75.971
6.271
83.993
1.00
51.34
O

ATOM
5954
N
GLU D
98
74.460
7.666
84.974
1.00
49.73
N

ATOM
5955
CA
GLU D
98
75.428
7.970
86.052
1.00
49.17
C

ATOM
5956
CB
GLU D
98
75.055
9.225
86.877
1.00
48.36
C

ATOM
5957
CG
GLU D
98
76.154
9.632
87.778
1.00
47.29
C

ATOM
5958
CD
GLU D
98
75.996
11.044
88.410
1.00
51.19
C

ATOM
5959
OE1
GLU D
98
74.875
11.659
88.371
1.00
47.07
O

ATOM
5960
OE2
GLU D
98
77.025
11.514
89.006
1.00
49.07
O

ATOM
5961
C
GLU D
98
75.709
6.741
86.913
1.00
48.25
C

ATOM
5962
O
GLU D
98
76.859
6.468
87.268
1.00
48.38
O

ATOM
5963
N
ALA D
99
74.663
5.985
87.215
1.00
47.76
N

ATOM
5964
CA
ALA D
99
74.814
4.721
87.944
1.00
47.05
C

ATOM
5965
CB
ALA D
99
73.439
4.047
88.203
1.00
46.09
C

ATOM
5966
C
ALA D
99
75.781
3.778
87.224
1.00
46.64
C

ATOM
5967
O
ALA D
99
76.777
3.359
87.776
1.00
46.05
O

ATOM
5968
N
THR D
100
75.533
3.461
85.975
1.00
47.99
N

ATOM
5969
CA
THR D
100
76.444
2.494
85.328
1.00
49.30
C

ATOM
5970
CB
THR D
100
76.097
2.232
83.809
1.00
49.38
C

ATOM
5971
OG1
THR D
100
74.692
2.050
83.631
1.00
47.48
O

ATOM
5972
CG2
THR D
100
76.831
1.045
83.292
1.00
47.31
C

ATOM
5973
C
THR D
100
77.874
3.034
85.405
1.00
50.78
C

ATOM
5974
O
THR D
100
78.811
2.251
85.542
1.00
51.20
O

ATOM
5975
N
ILE D
101
78.052
4.366
85.252
1.00
52.31
N

ATOM
5976
CA
ILE D
101
79.402
4.933
85.282
1.00
52.23
C

ATOM
5977
CB
ILE D
101
79.432
6.432
85.020
1.00
51.92
C

ATOM
5978
CG1
ILE D
101
79.168
6.702
85.533
1.00
52.53
C

ATOM
5979
CD1
ILE D
101
79.231
8.184
83.138
1.00
52.28
C

ATOM
5980
CG2
ILE D
101
80.799
7.006
85.385
1.00
48.34
C

ATOM
5981
C
ILE D
101
80.077
4.571
86.593
1.00
53.40
C

ATOM
5982
O
ILE D
101
81.122
3.871
86.601
1.00
53.33
O

ATOM
5983
N
ASN D
102
79.470
5.027
87.690
1.00
54.06
N

ATOM
5984
CA
ASN D
102
79.939
4.710
89.043
1.00
54.90
C

ATOM
5985
CB
ASN D
102
79.823
5.333
90.053
1.00
54.21
C

ATOM
5986
CG
ASN D
102
79.026
6.783
89.963
1.00
55.14
C

ATOM
5987
OD1
ASN D
102
80.104
7.417
89.928
1.00
55.37
O

ATOM
5988
ND2
ASN D
102
77.823
7.367
89.930
1.00
54.04
N

ATOM
5989
C
ASN D
102
79.933
3.248
89.377
1.00
55.63
C

ATOM
5990
O
ASN D
102
80.447
2.825
90.432
1.00
57.03
O

ATOM
5991
N
GLU D
103
79.303
2.463
88.543
1.00
55.76
N

ATOM
5992
CA
GLU D
103
79.184
1.085
88.991
1.00
57.11
C

ATOM
5993
CB
GLU D
103
77.753
0.580
88.690
1.00
56.79
C

ATOM
5994
CG
GLU D
103
77.547
−0.872
88.506
1.00
58.03
C

ATOM
5995
CD
GLU D
103
76.070
−1.175
88.168
1.00
63.41
C

ATOM
5996
OE1
GLU D
103
75.620
−0.914
87.007
1.00
62.66
O

ATOM
5997
OE2
GLU D
103
75.357
−1.684
89.084
1.00
65.97
O

ATOM
5998
C
GLU D
103
80.249
0.332
88.185
1.00
57.20
C

ATOM
5999
O
GLU D
103
80.565
−0.772
88.552
1.00
58.40
O

ATOM
6000
N
LEU D
104
80.868
0.961
87.215
1.00
57.70
N

ATOM
6001
CA
LEU D
104
81.794
0.248
85.359
1.00
58.96
C

ATOM
6002
CB
LEU D
104
81.135
0.000
84.987
1.00
58.33
C

ATOM
6003
CG
LEU D
104
80.080
−1.124
84.865
1.00
57.19
C

ATOM
6004
CD1
LEU D
104
79.249
−1.065
83.561
1.00
58.38
C

ATOM
6005
CD2
LEU D
104
80.696
−2.476
84.972
1.00
52.65
C

ATOM
6006
C
LEU D
104
83.185
0.921
86.219
1.00
60.49
C

ATOM
6007
O
LEU D
104
84.089
0.348
85.599
1.00
60.81
O

ATOM
6008
N
VAL D
105
83.345
2.137
86.762
1.00
61.89
N

ATOM
6009
CA
VAL D
105
84.660
2.744
86.881
1.00
63.12
C

ATOM
6010
CB
VAL D
105
84.705
4.009
87.804
1.00
63.14
C

ATOM
6011
CG1
VAL D
105
84.377
5.220
87.024
1.00
62.92
C

ATOM
6012
CG2
VAL D
105
83.774
3.891
89.027
1.00
83.19
C

ATOM
6013
C
VAL D
105
85.545
1.684
87.488
1.00
64.48
C

ATOM
6014
O
VAL D
105
85.188
1.144
88.551
1.00
65.43
O

ATOM
6015
OXT
VAL D
105
86.607
1.324
86.944
1.00
65.61
O

TER

ATOM
6016
O
HOH W
1
47.966
−6.060
35.393
1.00
48.18
O

ATOM
6017
O
HOH W
2
63.204
15.546
66.578
1.00
47.81
O

ATOM
6018
O
HOH W
3
−15.844
−5.890
15.377
1.00
41.81
O

ATOM
6019
O
HOH W
4
6.672
0.388
14.030
1.00
41.55
O

ATOM
6020
O
HOH W
5
5.628
−0.439
4.663
1.00
55.87
O

ATOM
6021
O
HOH W
6
−6.657
−1.075
39.601
1.00
48.41
O

ATOM
6022
O
HOH W
7
77.795
17.771
74.566
1.00
41.95
O

ATOM
6023
O
HOH W
8
45.358
−3.554
38.212
1.00
34.07
O

ATOM
6024
O
HOH W
9
45.121
7.285
70.045
1.00
64.82
O

ATOM
6025
O
HOH W
10
81.720
8.777
92.289
1.00
49.47
O

ATOM
6026
O
HOH W
11
3.726
−1.516
11.028
1.00
49.02
O

ATOM
6027
O
HOH W
12
−5.447
10.545
23.498
1.00
60.19
O

ATOM
6028
O
HOH W
13
47.749
8.547
75.599
1.00
59.35
O

ATOM
6029
O
HOH W
14
3.940
−2.384
35.612
1.00
56.99
O

ATOM
6030
O
HOH W
15
39.596
8.994
27.527
1.00
43.19
O

ATOM
6031
O
HOH W
16
68.676
−1.114
77.523
1.00
59.81
O

ATOM
6032
O
HOH W
17
43.617
−6.151
35.157
1.00
57.64
O

ATOM
6033
O
HOH W
18
37.186
9.325
18.814
1.00
40.10
O

ATOM
6034
O
HOH W
19
48.846
7.560
43.080
1.00
50.65
O

ATOM
6035
O
HOH W
20
32.939
9.613
56.336
1.00
56.41
O

ATOM
6036
O
HOH W
21
8.127
3.993
45.577
1.00
61.50
O

ATOM
6037
O
HOH W
22
−11.862
−2.809
8.483
1.00
37.42
O

ATOM
6038
O
HOH W
23
1.888
5.546
21.102
1.00
52.27
O

ATOM
6039
O
HOH W
24
29.653
20.246
25.483
1.00
61.05
O

ATOM
6040
O
HOH W
25
70.724
2.059
62.594
1.00
48.47
O

ATOM
6041
O
HOH W
26
48.180
0.154
42.773
1.00
55.63
O

ATOM
6042
O
HOH W
27
48.272
6.898
61.888
1.00
41.18
O

ATOM
6043
O
HOH W
28
−18.515
9.366
2.804
1.00
47.74
O

ATOM
6044
O
HOH W
29
26.922
−5.894
61.506
1.00
58.23
O

ATOM
6045
O
HOH W
30
35.195
−14.459
41.813
1.00
60.27
O

ATOM
6046
O
HOH W
31
35.666
−7.168
58.643
1.00
49.17
O

ATOM
6047
O
HOH W
32
39.646
13.154
43.227
1.00
61.49
O

ATOM
6048
O
HOH W
33
68.062
−2.357
57.650
1.00
54.39
O

ATOM
6049
O
HOH W
34
34.313
−3.508
73.662
1.00
64.71
O

ATOM
6050
O
HOH W
35
−3.958
−9.288
11.266
1.00
36.47
O

ATOM
6051
O
HOH W
36
67.097
−5.607
58.150
1.00
57.46
O

ATOM
6052
O
HOH W
37
2.265
−8.666
19.774
1.00
43.62
O

ATOM
6053
O
HOH W
38
17.083
−3.214
17.851
1.00
53.84
O

ATOM
6054
O
HOH W
39
−17.084
0.827
23.894
1.00
61.02
O

ATOM
6055
O
HOH W
40
4.919
−5.480
15.458
1.00
50.27
O

ATOM
6056
O
HOH W
41
80.578
10.353
64.873
1.00
47.77
O

ATOM
6057
O
HOH W
42
−13.896
−11.885
22.190
1.00
57.91
O

ATOM
6058
O
HOH W
43
27.378
−3.564
33.013
1.00
63.91
O

ATOM
6059
O
HOH W
44
49.295
−5.449
62.385
1.00
55.41
O

ATOM
6060
O
HOH W
45
8.206
−3.817
18.442
1.00
46.33
O

ATOM
6061
O
HOH W
46
46.111
9.126
37.252
1.00
54.06
O

ATOM
6062
O
HOH W
47
−11.652
9.545
14.652
1.00
53.68
O

ATOM
6063
O
HOH W
48
84.343
0.018
90.735
1.00
61.39
O

ATOM
6064
O
HOH W
49
4.655
−7.555
16.943
1.00
47.96
O

ATOM
6065
O
HOH W
50
58.934
−5.185
25.295
1.00
56.46
O

ATOM
6066
O
HOH W
51
42.687
−14.538
40.831
1.00
51.18
O

ATOM
6067
O
HOH W
52
66.416
−3.356
61.916
1.00
72.73
O

ATOM
6068
O
HOH W
53
−40.824
−11.103
2.765
1.00
73.03
O

ATOM
6069
O
HOH W
54
68.754
1.887
64.409
1.00
37.37
O

ATOM
6070
O
HOH W
55
34.377
−15.491
79.535
1.00
51.16
O

ATOM
6071
O
HOH W
56
39.907
−8.439
59.469
1.00
52.78
O

ATOM
6072
O
HOH W
57
22.813
−6.800
69.133
1.00
64.46
O

ATOM
6073
O
HOH W
58
26.192
13.054
29.194
1.00
55.35
O

ATOM
6074
O
HOH W
59
−21.804
−17.554
11.518
1.00
55.95
O

Example 7: NMR Spectroscopy

NMR interaction experiments were carried out by recording ¹H-¹⁵N NMR HSQC spectra of ¹⁵N-labeled N-TXNIP upon addition of unlabeled TRX or its mutant, which was reduced with 5 mM DTT and dialyzed against 50 mM potassium phosphate (pH 6.6) prior to the interaction study to remove excess DTT.

The ¹H-¹⁵N HSQC spectra of all proteins were measured on a Bruker 900 MHz NMR spectrometer at the Korea Basic Science Institute (Ochang, Korea). The NMR measurements were performed using 0.3 mM ¹⁵N-labeled protein in 50 mM potassium phosphate (pH 6.6) containing 10% D₂O at 25° C. All NMR spectra were processed with Topspin 2.1 and analyzed with the program SPARKY 3.1.

Example 8: TRX Activity Assay

TRX activity was assayed using the insulin disulfide reduction assay. The transiently transfected HEK 293T cells were lysed in lysis buffer containing 20 mM HEPES (pH 7.9), 100 mM KCl, 300 mM NaCl, 10 mM EDTA, 0.1% Nonidet P-40, and protease inhibitors. To reduce TRX, cell extracts (20 μg) were incubated at 37° C. for 20 minutes with 2 μl of DTT activation buffer containing 50 mM HEPES(pH 7.6), 1 mM EDTA, 1 mg/ml BSA, and 2 mM DTT in a total volume of 70 μl. 40 μl of reaction mixture taken from a solution containing 200 μl of 1 M HEPES (pH 7.6), 40 μl of 0.2 M EDTA, 40 μl of NADPH (40 mg/ml), and 500 μl of insulin (10 mg/ml) was then added. Rat thioredoxin reductase (100 U/ml) was added to reaction and incubated at 37° C. for 20 minutes. The reaction was stopped with 6 M guanidine-HCl and 1 mM DNTB (3-carboxy-4-nitrophenyl disulfide), and absorbance was measured at 412 nm.

Example 9: ROS (Reactive Oxygen Species) Assay

The TRX and T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex was used to circumvent non-functional cysteine-induced aggregation. The complex (at a concentration of 0.05 mM) was incubated with H₂O₂at concentrations in the range of 0 to 10 mM in 50 mM Tris-HCl (pH 8.0), 500 mM NaCl, and 10% glycerol at 37° C. The TRX(C37A) and T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) complex was also used to avoid TRX dimerization and non-functional cysteine-induced aggregation. This complex was incubated with 0 to 3 mM diamide in 50 mM Tris-HCl(pH 8.0), 500 mM NaCl, and 10% glycerol at 37° C. After a 30-minute reaction, the samples were injected onto a HiLoad™ 16/60 Superdex™ 75 gel filtration column (GE Healthcare) installed on an AKTA purifier FPLC system at a flow rate of 1 ml/min at room temperature. To examine the role of TRX Cys35 for dissociation between TRX and TXNIP, the TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex was incubated at room temperature for 1 hour with 3.3 mM diamide and then injected onto the Superdex™ 75 10/300 GL gel filtration column. All fractions were subjected to SDS-PAGE.

Example 10: Mass Spectrometry
Example 10-1: Sample Preparation for Mass Spectrometric Analysis

For the analysis of interprotomer disulfide bond between TXNIP molecules by mass spectrometry in vivo, HEK 293T cell were transfected with expression plasmid expressing TXNIP fused with GST. 24 hours later, the transfected cells were harvested and lysed in lysis buffer containing 0.5% Triton X-100, 150 mM NaCl, 10% glycerol and 20 mM HEPES (pH 7.2) supplemented with complete protease inhibitor cocktail (Roche). After incubation at 4° C. for 30 minutes, lysates were centrifuged at 16,000 g for 20 minutes. The supernatants were overnight-incubated at 4° C. with Glutathione Sepharose 4FF (GE Healthcare) and centrifuged at 10,000 g for 5 minutes. Next, the supernatant was discarded and the resin was washed five times with lysis buffer. Bound proteins to resin were eluted by boiling in an LDS-PAGE loading buffer (life technologies).

For analysis by mass spectrometry in vitro, purified TRX(C73A)-T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) complex was incubated with 100 mM DTT for 1 hour at room temperature and injected to the Superdex™ 200 10/300 GL gel filtration column installed on an AKTA purifier FPLC system to obtain T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) from remained protein complex and TRX(C73A). The fractions containing T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) were dialyzed against 50 mM Tris-HCl (pH 8.0), 500 mM NaCl and 10% glycerol to induce the formation of disulfide bonds between TXNIP molecules through air oxidation. Dialyzed proteins were then subjected to SDS-PAGE under non-reducing conditions.

Example 10-2: In Gel Digestion

The high molecular TXNIP complex-containing gel pieces were destained in the 25 mM ammonium bicarbonate and 50% acetonitrile solution, dehydrated with 100% acetonitrile and dried at room temperature. Alkylation of free cysteines was performed by addition of 55 mM iodoacetamide in 25 mM ammonium bicarbonate, followed by incubation at 25° C. for 1 hour in the dark. The gel was washed with 25 mM ammonium bicarbonate and 50% acetonitrile solution, dehydrated with 100% acetonitrile and dried at room temperature. The gel pieces were rehydrated with a solution of sequencing-grade trypsin (12.5 ng/μL; Promega, Madison, Wis., U.S.A.) in 25 mM ammonium bicarbonate and incubated at 37° C. for 16 hours for protein digestion. Next, supernatants were transferred to fresh tubes, and the remaining peptides were sequentially extracted by incubating gel pieces with 50% acetonitrile in 25 mM ammonium bicarbonate, 50% acetonitrile in 0.5% trifluoroacetic acid (TFA), and 70% acetonitrile in 0.5% TFA. The extracted peptides were combined and dried in a vacuum evaporator (MIVAC DUO, Genevac, Ipswich, England). The peptides were stored at −20° C. until use.

Example 10-3: Mass Spectrometric Analysis

The peptides obtained in 10-2 were diluted with 0.4% acetic acid to achieve concentrations of 1 μg/μL and an aliquot (˜1 μg) was injected to a reversed-phase Magic C18aq column (15 cm×75 μm) on an Eksigent nanoLC-ultra 1D plus system at a flow rate of 300 nL/min. The column was equilibrated with 95% buffer A (0.1% formic acid in H₂O)+5% buffer B (0.1% formic acid in acetonitrile) prior to use. Peptides were eluted with a linear gradient from 10% buffer B to 40% buffer B over 40 minutes. The HPLC system was coupled to a Q Exactive quadrupole mass spectrometer (Thermo Scientific, San Jose, Calif., USA). The Q Exactive instrument was operated in data dependent mode. Survey full-scan MS spectra (m/z 300-2,000) were acquired in the Orbitrap with a resolution of 75,000, MS/MS spectra of the twelve most intense ions from the MS1 scan with charge state ≧2 were acquired with the following settings: resolution, 17,500; isolation width, 2 m/z; normalized collision energy, 27%; dynamic exclusion duration, 30s. ion selection threshold, 4.00E+03 counts.

Example 10-4: Database Searching and Validation

The acquired MS/MS spectra were searched using X!Tandem (open source software, available fromproteome.ca/opensource.html) against the SwissProt database. Briefly, peptide mass tolerance was set to ±15 ppm, cleavage specificity was set to trypsin, allowing for a maximum of one missed cleavages. A variable modification of methionine oxidation (+15.9949 Da) and carbamidomethylated cysteine (+57.0215 Da) was allowed. Peptide assignment was performed with the Trans Proteomics Pipeline provided by Institute for Systems Biology (TPP, version 4.5 RAPTURE rev 2, roteomecenter.org). From the X!Tandem search output, peptides with probabilities greater than 0.9 were included in the subsequent Protein-Prophet, and proteins having protein probability of more than 0.9 were gathered. From the results, the contaminants (e.g. Keratin and trypsin artificial) were removed. Analysis for identification of disulfide linkages was performed using DBond software (version 3.02, prix.hanyang.ac.kr/download/dbond.j sp) (PMID: 19902913).

Experimental Example 1: Structure Determination and Molecular Architecture of TRX-TXNIP Complex

Repeated experiments aimed at the overexpression of the recombinant full-length TXNIP protein as a soluble protein have been tried. However, when only TXNIP was expressed, it behaved as a molten globular protein showing a low binding activity. Under these circumstances, it was tried to express TXNIP as a soluble protein by carrying out constructional changes in TXNIP protein and co-expressing TRX and TXNIP.

In particular, because TRX (containing five cysteines) and TXNIP (containing 11 cysteines) are redox proteins whose properties make them difficult to handle in vitro, the present inventors engineered a cysteine(Cys35) to alanine (Ala) mutation in TRX to prevent further reactions after interaction between the two proteins, as well as combinatorial cysteine mutations in the tandem arrestin-like domain of TXNIP (T-TXNIP, amino acid 3 to 317) to prevent non-specific aggregation and to generate crystals suitable for X-ray diffraction. Two mutant complexes, TRX(C35A)-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complex (COM1) and TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) complex (COM2), were crystallized for X-ray diffraction and their structures were determined using the multiple anomalous wavelength dispersion method, together with the molecular replacement method. The structures of COM1 and COM2, which were refined to resolutions of 2.0 Å and 2.7 Å, respectively, are shown in FIG. 5.

Further, T-TXNIP was comparable to the native TXNIP and its mutant in their ability to bind TRX and inhibit TRX activity (FIGS. 6B and C). This result suggests that the crystal structures of COM1 and COM2 using the modified TXNIP protein resulting from mutagenesis of TXNIP protein represents the TRX-TXNIP complex crystal through interactions between TRX and TXNIP.

The structures of COM1 and COM2 are essentially identical, each contains two heterodimeric complexes of TRX and T-TXNIP in an asymmetric unit, with a large interface between the two T-TXNIP molecules (FIGS. 5A and B). However, size-exclusion chromatography of TRX-T-TXNIP, TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C170S/C205S/C267S)(SEQ ID NO: 5) and TRX(C35A)(SEQ ID NO:3)-T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) showed that all the complexes exist as single heterodimeric species in solution (FIG. 6D). Thus, the interfaces between the T-TXNIP molecules in the crystal structures merely constitute large crystal contacts.

Since the structures of COM1 and COM2 are essentially identical and the TRX and T-TXNIP complex exists as a single heterodimeric species in solution, the T-TXNIP (chain C) and TRX (chain D) complex (FIG. 6E) of COM1 was chosen as a representative structure. The final structure of the heterodimeric complex contains residues 8-299 of the expressed protein residues 3-317 of T-TXNIP and all residues of TRX. Residues 148-153 and 260-265 of T-TXNIP are not included in the final model because they are invisible in the electron density map; these regions are presumably very flexible.

As shown in FIG. 6E, T-TXNIP is composed entirely of β strands, which form two deeply curved β-sandwich domains. Further, T-TXNIP is composed of an N-terminal domain comprising β1 to β11 (N-TXNIP, residues 8-147) and a C-terminal domain including β12 to β20 (C-TXNIP, residues 154-299). It folds into an elongated S-shaped domain arrangement with pseudo-two-fold symmetry in which C-TXNIP is inverted relative to N-TXNIP. The two domains can be superimposed with a root-mean-square deviation (r.m.s.d.) of 1.88 for 60 Cα atoms (FIG. 7A). Although the overall structure of T-TXNIP has 13% amino acid homology to that of proteins in the arrestin superfamily comprising mVPS26B (mouse vacuolar protein sorting-associated protein 26B, PDB ID code 3LH8), they are very similar in the structure. However, domain arrangement of T-TXNIP interacting with TRX is completely different from that of all other arrestin structures reported, which have ω-shaped domains (FIG. 8A). Thus, tandem T-TXNIP composed of two domains cannot be superimposed onto mVPS26B (FIG. 8B), while each N-TXNIP (r.m.s.d.=1.33 for 82 Ca atoms; Z=12.3) and C-TXNIP (r.m.s.d.=1.42 for 84 Ca atoms; Z=12.5) domain of TXNIP can be superimposed onto each N-mVPS26B and C-mVPS26B, respectively (FIG. 8C). Structural analysis also revealed that T-TXNIP is electrically polarized (FIG. 8D). In particular, the inside of the curved-sandwich of the C-TXNIP domain contains a prominent basic region, while N-TXNIP has a negative electrostatic potential. No significant structural changes are found in the structure of TRX complexed with T-TXNIP compared to the previously reported free TRX structure (FIG. 7B).

Experimental Example 2: Characterization of TRX-TXNIP Interaction

Cys247 in TXNIP is the most important residue for the interaction with TRX Cys32. Examination of the intermolecular disulfide bond between TRX Cys32 and T-TXNIP Cys247 provides insight into how TXNIP negatively regulates TRX (FIG. 9A). According to the structure of TXNIP and TRX complex shown in FIG. 9, the disulfide bond is located in the center of the interaction interface between the two proteins. The β18 strand of T-TXNIP in combination with β15 is a critical component of the interaction between TRX and TXNIP, and the overall conformation of bound β18 is extended and follows the cleft formed by residues in the active site of TRX. Further, intermolecular backbone-backbone interactions between TRX and residues in the β18 strand of T-TXNIP (TRX Ala92 and T-TXNIP Gly245, and TRX Met74 and T-TXNIP Cys247), stabilize the intermolecular disulfide bond. There are also intermolecular hydrogen bonds and hydrophobic interactions between the proteins. In particular, the side-chain amino group of T-TXNIP Arg251 forms a salt bridge with the side-chain carboxyl group of TRX Asp60, which further supports the interaction between TRX and T-TXNIP (FIG. 9B). This interaction pattern is similar to that of TRX complexes with the peptides of NF-κB and Ref-1, which are implicated in TRX-mediated disulfide bond reduction of cellular substrates (FIG. 9C). The intermolecular backbone-backbone interactions stabilizing the intermolecular disulfide bond are strictly conserved in each of these complexes.

Experimental Example 3: Formation of Head-to-Tail Interprotomer Disulfide Bond by TXNIP

The interaction between TXNIP and TRX requires oxidized TXNIP, which was thought to contain an intramolecular disulfide bond between Cys63 and Cys247, and reduced TRX32. According to the T-TXNIP structure shown in FIG. 5, Cys63 is located 39 Å from Cys247. Given this distance, there is not much likelihood of an intramolecular disulfide bond between the two residues. Instead, it was hypothesized that rather than forming an intramolecular disulfide, Cys63 and Cys247 might form interprotomer disulfide bonds between TXNIP molecules. To test this hypothesis, the following experiments were performed.

First, the in vivo interprotomer interaction between TXNIP molecules was examined using 293T cells transfected with HA-tagged TXNIP and FLAG-tagged T-TXNIP-expressing plasmids. At this time, cysteine-blocking reagent iodoacetamide-containing lysis buffer was used to avoid non-specific extra redox reaction during cell lysis. The results are shown in FIG. 9D.

As shown in FIG. 9, an interprotomer interaction between TXNIP molecules was observed (left), and high molecular complex of T-TXNIP was detected dependent on the redox condition (right).

Further, coimmunoprecipitation assays were performed using lysates of 293T cells transfected with FLAG-tagged TXNIP and HA-tagged TXNIP-expressing plasmids, and the results are shown in FIG. 9E. To examine the domains involved in interprotomer disulfide bonds, Flag-tagged deletion mutants were prepared, and for immunoprecipitation of HA-tagged TXNIP, anti-HA antibody was used.

As shown in FIG. 9E (left), the immunoblot analysis using anti-HA antibody demonstrated that both the N- and C-terminal TXNIP domains are required for the interprotomer disulfide bonds.

Further, the roles of Cys63 in the N-terminal domain and Cys247 in the C-terminal domain in the formation of interprotomer disulfide bonds were evaluated using GST-fused- and FLAG-tagged-TXNIP. The substitution of Cys247 with serine in both the GST-fused- and the FLAG-tagged-TXNIP molecules abolished the formation of interprotomer disulfide bonds, unlike the substitution of Cys247 with serine in the GST-fused TXNIP (FIG. 9E, right). The same result was obtained upon substitution of Cys63 with serine. The results of structural analysis and these results indicated that TXNIP molecules form a head-to-tail interprotomer disulfide bond between Cys63 and Cys247 in vivo.

In addition, mass spectrometry was employed to analyze the interprotomer disulfide bond between Cys63 and Cys247. To achieve this, the non-specific covalent oligomerization-preventing T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) protein was isolated from the TRX(C73A)-T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) complex (FIG. 9g), and used to induce the interprotomer-interacting TXNIP molecules in vitro, and fractionated protein bands by SDS-PAGE under non-reducing condition were then used for mass spectrometric analysis (FIG. 9h). The disulfide bond and free cysteine of the two protein bands of ˜32 kDa and ˜60 kDa (as a monomeric T-TXNIP mutant and interprotomer-interacting protein complex, respectively) were analyzed by mass spectrometry, the results of which are shown in the following Table:

TABLE 12

The number of spectra

~60 kDa
~32 kDa

Disulfide bond
C63-C190
1
93

C63-C247
5
3

C63-C63
1
1

C190-C247
1
3

C247-C247
1
2

Total
9
102

Free cysteine
C63
4
5

C190
0
42

C247
2
5

Total
6
52

As shown in Table 12, above, the sites of disulfide bonds were identified at residues Cys63-Cys190, Cys63-Cys247, Cys63-Cys63, Cys190-Cys247, and Cys247-Cys247 with Dbond score >20. However, the distribution of the disulfide bond site was significantly different between the bands. In ˜60 kDa band, Cys63-Cys247 was identified with 5 spectra comprising the major disulfide bond while Cys63-Cys190 in ˜32 kDa band appeared as the majority with 93 spectra out of 102. Furthermore, the sites of free cysteines which appeared as carbamidomethyl cysteines after alkylation were identified to have different distributions.

This demonstrates that the majority of Cys63 are disulfide-bonded with Cys190 in ˜32 kDa band (a monomeric T-TXNIP) and with Cys247 in ˜60 kDa band (an interprotomer-interacting T-TXNIP molecules), and a great amount of Cys190 remains as free cysteines at the ˜32 kDa band.

A representative MS/MS spectrum for Cys63-Cys190 identified from ˜32 kDa band and that for Cys63-Cys247 identified from ˜60 kDa band are shown in FIGS. 9i and j, respectively. Doubly charged [M+2H]⁺ peptide ions at m/z 1759.77 (FIG. 9i) and m/z 1353.64 (FIG. 9j) were fragmented via higher-energy collisional dissociation (HCD). As a result, the standard backbone fragments that occurred by amide bond cleavages are highly abundant, and the persulfide ion (P⁺32) formed by S—S or C—S bond cleavage reactions was also identified in these spectra.

Therefore, these data collectively demonstrate that a head-to-tail interprotomer disulfide bond between Cys63 and Cys247 is present in TXNIP molecules.

As shown in FIG. 6D, TRX-bound TXNIP exists predominantly in a heterodimeric form in solution. To evaluate the effect of TRX on the interprotomer disulfide bond between TXNIP molecules, coimmunoprecipitation assays were performed using lysates of 293T cells transfected with FLAG-tagged TXNIP, HA-tagged TXNIP, and FLAG-tagged TRX-expressing plasmids. The interaction between TXNIP molecules through perhaps interprotomer disulfide bonds was significantly diminished by the overexpression of TRX (FIG. 9E).

These results suggest that the stable formation of TRX and T-TXNIP heterodimeric complexes appears to involve the transient interaction of TRX with the interprotomer disulfide bond between TXNIP molecules.

Experimental Example 4: Disulfide Bond Switching Mediated by Cys63 Involved in TRX-TXNIP Interaction

As shown in FIG. 10, the present inventors demonstrated that N-terminal TXNIP, N-TXNIP, can be co-expressed and co-purified with TRX and TRX(C35A)(SEQ ID NO:3). To evaluate the involvement of N-TXNIP in the interaction of TXNIP with TRX, an NMR-titration experiment was performed by recording a series of ¹H-¹⁵N heteronuclear single quantum coherence (HSQC) spectra of ¹⁵N-labeled N-TXNIP after addition of unlabeled, reduced TRX.

The addition of TRX caused substantial chemical shifts, pointing to a direct interaction between N-TXNIP and TRX (FIG. 10B). However, attempts to crystallize the complex between N-TXNIP and TRX(C35A)(SEQ ID NO:3) were unsuccessful, suggesting that the interaction between the two proteins is transient.

Further, TRX muteins were added and ¹H-¹⁵N HSQC spectra of ¹⁵N-labeled N-TXNIP were monitored to examine interaction between N-TXNIP and TRX. There were no significant chemical shift changes when C32A or C35A TRX mutants were added to ¹⁵N-labeled N-TXNIP (FIG. 12), indicating that these cysteine residues are involved in interaction between TRX and N-TXNIP. In contrast, C62A, C69A, and C73A mutants caused a chemical shift similar to the wild-type TRX (FIG. 12).

Because reduced TRX only binds to oxidized T-TXNIP having a disulfide bond, it was assumed that a disulfide bond might also be involved in the interaction between N-TXNIP and TRX. To test this assumption, the structure of N-TXNIP at 1.6 Å resolution was determined and shown in FIG. 11.

As a result, the structure of N-TXNIP is very similar to that of the corresponding domain in T-TXNIP. However, unlike the case of T-TXNIP, there is an unexpected intramolecular disulfide bond between Cys63 and Cys120 (FIG. 11A). In the COM2 structure, the distance between Cys63 and Cys120 is 14.1 Å (FIG. 5B), which is too large for the formation of a disulfide bond. Cys120 has been shown not to be greatly involved in TRX binding. Furthermore, alignment of the amino acid sequences of TXNIP from different species shows that while Cys190 and Cys247 are strictly conserved, Cys120 is not (FIG. 13). Thus, the unexpected disulfide bond between Cys63 and Cys120 in the N-TXNIP structure may be an artificial consequence due to crystallization. It is very likely that Cys63 requires, if not Cys120, then another orphan cysteine residue to form a stable disulfide bond. There are other cysteine residues at positions 36 and 49 in N-TXNIP. These are 49 Å and 22 Å distant from Cys63, respectively, which is too far for disulfide bond formation (FIG. 11A). These results suggest that TXNIP undergoes a Cys63-mediated conformational change during its interaction with TRX. The interaction between Cys63 and Cys120 in N-TXNIP results in a significant movement of approximately 96° in a clockwise direction and a 54° downward bending of strands β5 and β6. This movement leads to a change in the secondary structures of the β5 and β6 strands (FIG. 11B).

In addition, there is a significant change in the β8 to β10 region (FIG. 11B). To further test the importance of the Cys63-mediated disulfide bond for the interaction of TXNIP with TRX, NMR ¹H-¹⁵N HSQC experiments were performed with ¹⁵N-labeled N-TXNIP mutants and TRX. There were no significant chemical shifts in the spectra of either of the C63S or C120S N-TXNIP mutants in the presence of TRX (FIG. 14). This further supports that the interaction of TRX with TXNIP is initiated by a transient interaction between TRX and the interprotomer Cys63-Cys247 disulfide bond in TXNIP molecules.

The transient interaction of TRX with the interprotomer disulfide bond between Cys63 and Cys247 in TXNIP must result in the stable intermolecular interaction between TRX Cys32 and TXNIP Cys247, as seen in the complex structure of FIG. 11. Therefore, when TRX of the interprotomer interaction in TXNIP molecules, that is, a disulfide bond between Cys63 and Cys247 of TXNIP is inhibited, Cys63 becomes reactive again. One of the notable aspects of the TXNIP structure is the interdomain disulfide bond between N-TXNIP Cys63 and C-TXNIP Cys190 (FIG. 11C). This implies that the orphaned Cys63 immediately searches for a nearby cysteine residue with which to form a bond to stabilize it, and forms a disulfide bond with Cys190. This interaction causes the formation of a tight junction between the two domains, with the disulfide bond located in the center of the interdomain interface, between the β-sheets of each domain. The disulfide bond is then surrounded by other residues involved in the interface and is completely shielded from solvent. At this time, the long N-terminal strands, β5 and β6 cause the C-terminal strand β14 to rise (FIG. 11 C). Therefore, the atypical S-shaped domain conformation of TXNIP can be attributed to this unique mutual disposition of the two domains, which is mainly due to the disulfide bond between Cys63 and Cys190. In addition, there were other interdomain interactions between the N-terminal β6 strand and the β29 strand on the other side of the C-terminal β-sheets (FIG. 11D). The side-to-side interaction between the β-sheets of the two domains seems to confirm the S-shaped conformation. These interdomain interactions of TXNIP are entirely different from those reported for arrestin proteins. In general, the domain interface of arrestin family proteins merely contains clusters of buried polar interactions.

The above experiments suggest that interaction between TRX and TXNIP is related to a novel mechanism of disulfide bond switching: the replacement of a head-to-tail interprotomer TXNIP Cys63-TXNIP Cys247 disulfide bond with an interdomain TXNIP Cys63-Cys190 disulfide bond and a de novo intermolecular TXNIP Cys247-TRX Cys32 disulfide bond.

Experimental Example 5: Effect of ROS on TRX-TXNIP Interaction

The regulation of TRX by TXNIP is known to be redox-dependent. ROS are involved in activation of the oxidative stress-responsive pathway and can alter protein structure and/or function. To assess the effect of ROS on interaction between TRX and TXNIP, the TRX-T-TXNIP complexes were treated with ROS. To prevent non-functional cysteine-induced non-specific aggregation of T-TXNIP and dimerization of TRX, T-TXNIP(C120S/C170S/C205S/C267S)(SEQ ID NO: 6) complexed with native TRX, or T-TXNIP(C36S/C49S/C120S/C170S/C205S/C267S) complexed with TRX(C73A) were used. Both of them contain intermolecular disulfide bonds between TXNIP Cys247 and TRX Cys32 and intramolecular disulfide bonds between TXNIP Cys63 and Cys190. Treatment of TRX-T-TXNIP with H₂O₂resulted in dissociation of the proteins in a dose-dependent manner (FIG. 15a) and the same effects were observed with the thiol-oxidizing agent diamide (FIG. 15b). It was observed that the dissociated T-TXNIP by ROS treatment exists as a monomer form, indicating that ROS may react with the intermolecular disulfide bond between TRX Cys32 and TXNIP Cys247, while the TXNIP interdomain disulfide bond between Cys63 and Cys190 persists in oxidizing conditions. Regulation of TRX-TXNIP interaction by ROS is shown in FIG. 15d.

Taken together, under normoxic conditions, TXNIP binds to TRX through an intermolecular disulfide bond and inhibits TRX activity, whereas in response to oxidative stress, ROS increases to disrupt the intermolecular disulfide bond between TRX and TXNIP. Therefore, high levels of ROS may cause the intermolecular disulfide to undergo further oxidation, leading to the formation of thiosulfinates. Such intermediates may react readily with any available thiol (e.g. TRX Cys35) to form disulfide bonds (e.g. between TRX Cys32 and Cys35) and sulfenic acid, which in turn, rapidly react with other thiol groups to form other disulfide bonds and water. Consequently, TXNIP is dissociated from TRX. Meanwhile, the ROS may trigger antioxidant pathways, which would then utilize the TRX system, comprising TRX reductase and NADPH, to restore a reducing environment, together with other antioxidant systems. This would lead to a reduction of the TXNIP interdomain disulfide bond between Cys63 and Cys190, making Cys63 available to form an interprotomer disulfide linkage with the Cys247 of another TXNIP molecule. TRX may interact through its active cysteines with the TXNIP interprotomer disulfide bond between Cys63 and Cys247, which would perturb the interprotomer interaction between TXNIP molecules and leave Cys63 orphaned and reactive. Consequently, Cys63 would couple with the C-terminal Cys190, producing S-shape from w-shape. This structure would eventually facilitate the formation of a stable interaction interface between TRX and TXNIP through TRX Cys32 and TXNIP Cys247 (FIG. 15d).

Based on the above description, it will be understood by those skilled in the art that the present invention may be implemented in a different specific form without changing the technical spirit or essential characteristics thereof. Therefore, it should be understood that the above embodiment is not limitative, but illustrative in all aspects. The scope of the invention is defined by the appended claims rather than by the description preceding them, and therefore all changes and modifications that fall within metes and bounds of the claims, or equivalents of such metes and bounds are therefore intended to be embraced by the claims.

Effect of the Invention

Since TXNIP protein is a protein that regulates TRX activity through interaction with TRX protein, thereby exhibiting various physiological activities such as regulation of cell proliferation, blood glucose level, etc., a crystal of the TRX and TXNIP protein complex provided in the present invention, a crystallization method and a three-dimensional structure thereof can be usefully applied to development of new drugs for the treatment or diagnosis of diseases such as cancer or diabetes, which are associated with interaction between TRX and TXNIP proteins.

Number	Name	Date	Kind
20050143402	Cheetham	Jun 2005	A1
20110097317	Berk	Apr 2011	A1
20120058105	Ng	Mar 2012	A1

Method for crystallization of TRX-TXNIP complex mutein and 3D structure thereof

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Entry
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