Crystal structure of the (AML1 Runt domain)/(CBFBETA) heterodimer and the ternary complex with DNA

[0001] The present invention relates to a crystal structure for the AML1 Runt domain and/or CBFβ. In particular, the present invention relates to a crystal structure for an AML1 Runt domain:CBFβ complex and a ternary AML1 Runt domain:CBFβ:DNA complex; and the use of the crystal structures to identify ligands capable of binding to the AML1 Runt domain and/or CBFβ, and/or capable of modulating the DNA-binding capacity of the AML1 Runt domain.

BACKGROUND

[0002] Leukaemias are characterised by the presence of recurrent chromosomal translocations (Rabbitts, 1994). The genes associated with these chromosomal breakpoints in acute leukaemias frequently encode transcription factors which have been demonstrated to play pivotal roles in normal development and leukaemogenesis. The core binding factors (CBFs) are one such family. These heterodimeric transcription factors consist of a DNA binding α subunit, and a non-DNA-binding β subunit, which associates well with the α subunit (Ogawa et al., 1993b). All α subunits share an evolutionarily conserved region of 128 amino acids known as the Runt domain (FIG. 2C), which mediates both DNA binding and heterodimerisation to the β-subunit. The Drosophila gene runt, which is the “founding member” of the α subunit family, is required for segmentation, sex determination and neurogenesis. Three mammalian genes encode the α-subunit: AML1/CBFA2/PEPBP2αB (herein called AML1) (Miyoshi et al., 1991), AML2/CBFA3/PEBP2αC (Levanon et al., 1994), and AML3/CBFA1/PEBP2αA/Osf2 (Ogawa et al., 1993b) (herein called AML3). Only one gene (CBFB) is known to encode the mammalian β subunit, called CBFβ (Ogawa et al., 1993a) (Wang et al., 1993), whereas two homologues brother, and big brother, have been identified in Drosophila (FIG. 2D) (Golling et al., 1996).

[0003] The AML1 gene was originally cloned from one of the most frequently acquired cytogenetic abnormalities in acute myeloid leukaemia (AML), the t(8;21)(q22;q22) chromosomal translocation (Miyoshi et al., 1993), and was subsequently shown to be involved in the recurrent chromosomal translocation t(12;21)(p13;q22) associated with childhood acute lymphoblastic leukaemias (Golub et al., 1994) (Romana et al., 1995), and the translocation t(3;21)(q26;q22) associated with therapy-related leukaemias and myelodysplasia (Nucifora et al., 1993). Nonsense, missense and frameshift mutations in the AML1 gene are associated with sporadic AML (Osato et al., 1999), and congenital mutations in AML1 have been described in individuals with the rare autosomal dominant disease, familial platelet disorder (FDP), in which there is a congenital predisposition to the development of AML (Song et al., 1999). The disease-associated mutations in the sporadic and congenital disorders cluster within the Runt domain of AML1, which spans residues 50-177 out of 451. The C terminus is rich in proline-serine-threonine, which is necessary for transcriptional activation of target genes. In man, mutations in AML3 are associated with cleidocranial dysplasia (CCD), an autosomal dominant disorder of skeletal morphogenesis (Mundlos et al., 1997) (Lee et al., 1997), and again, the majority of the point mutations associated with this disorder cluster within the Runt domain (Lee et al., 1997) (Quack et al., 1999) (Zhou et al., 1999). Thus, the conserved Runt domain of the CBF family of transcription factors is a key target for disease-associated mutations in man.

[0004] The gene encoding CBFβ, the β-subunit of the CBFs, is also involved in chromosomal translocations in AML as a result of the inv(16)(p13q22), t(16;16) and del(16)(q22), which fuse the N-terminal 165 amino acids of CBFβ in frame with a C-terminal portion of the smooth muscle myosin heavy chain in the M4Eo French-American-British (FAB) subtype of AML (15% of AML) (Liu et al., 1993). Together, the heterodimeric CBF transcription factor genes AML1 and CBFB are the most frequently mutated in human acute leukaemia, accounting for 25% of AML and 20% of paediatric common B cell acute lymphoblastic leukaemia (Look, 1997). Chromosomal translocations involving the AML1 and CBFB genes result in the production of novel chimaeric fusion proteins, all of which retain the core Runt domain which forms DNA binding complexes with CBFβ. Chromosomal translocations involving AML1 are thought to create dominant transcriptional repressor proteins, which may have a common mechanism of action in leukaemogenesis. Thus, the t(8;21) translocation fuses the ETO (MTG8) co-repressor C-terminal to the Runt domain, and inhibits transcription through recruitment of histone deacetylase (Gelmetti et al., 1998) (Lutterbach et al., 1998); the t(12;21) fuses a repressor domain from the TEL gene to the N-terminus of the AML1 protein to create a constitutive repressor (Hiebert et al., 1996). Recent data also demonstrates that the inv(16) fusion protein product recruits the co-repressor mSin3A (Lutterbach et al., 1999).

[0005] Gene targeting experiments in mice have revealed essential roles for the core binding factor proteins in normal osteogenesis and haematopoiesis. Aml3 is essential for osteoblast differentiation and bone development, as mice homozygous for a null mutation in Aml3 completely lack bone formation (Komori et al., 1997) (Otto et al., 1997). Null mutations in the genes encoding either murine Aml1 or Cbfβ result in failure of foetal liver-derived haematopoiesis (Okuda et al., 1996) (Wang et al., 1996b) (Wang et al., 1996a), as the complex is essential for the emergence of definitive haematopoietic progenitors in the developing embryo (North et al., 1999). In Drosophila, a mutant Runt protein which was specifically inactivated for heterodimerisation with Brother protein was defective in several in vivo functional assays (Li and Gergen, 1999). Thus, the function of the core binding family of transcription factors is critically dependent on the interaction of the Runt domain with CBFβ and its homologues.

[0006] AML1 binds as a monomer to the core DNA sequence TGT/cGGT, which is present in a number of different viral and cellular promoters and enhancers, as well as haematopoietic cell-specific genes including the T cell receptor α, -β, -γ, CD3ε, myeloperoxidase, neutrophil elastase, granzyme B and in several genes encoding cytokines and their receptors (Thornell et al., 1991) (Manley et al., 1993) (Giese et al., 1995) (Rodan and Harada, 1997). Methylation and ethylation interference experiments show that the Runt domain binds to the major groove of DNA (Thornell et al., 1988) (Melnikova et al., 1993). CBFβ enhances the DNA binding activity of AML1 by at least two distinct mechanisms. Electrophoretic mobility shift assays show that CBFβ enhances DNA binding of the full length AML1 molecule 40 fold by overcoming an inhibitory mechanism mediated by sequences C-terminal and N-terminal to the Runt domain (Kanno et al., 1998a). In vitro experiments have demonstrated that the Runt domain of AML1 binds to a high affinity recognition site with a dissociation constant of 50 nM (Crute et al., 1996). DNA binding of the isolated Runt domain is enhanced five to six fold by addition of CBFβ (Ogawa et al., 1993a), but the DNA footprint is not extended in ethylation interference analysis (Kamachi et al., 1990). Runt domain Cys 81 is protected from oxidation on binding CBFβ by a mechanism which does not depend on steric hindrance (Akamatsu et al., 1997a). From these data, it has been suggested that the Runt domain undergoes a conformational change on binding to CBFβ which results in enhanced DNA binding and alters the intrinsic oxidisability of Cys 81, but direct evidence for this has not yet been obtained.

[0007] The leukaemia-associated chromosomal translocations involving AML1 and CBFB genes result in fusion proteins, in which the AML1 Runt domain remains competent for heterodimerisation to CBFβ. This function is also predicted to be retained by many of the AML1 point mutants associated with sporadic AML and the FPD/AML pedigrees. As the active heterodimer is essential for normal haematopoiesis, heterodimerisation competency of mutant AML1 alleles may reduce the availability of the β-subunit to the active gene product, thus altering its transcriptional transactivation properties. Heterodimerisation may also underlie the process of leukaemic transformation in the M4Eo FAB subtype of AML, where the CBFB-MYH11 fusion gene product may sequester the functional AML1 subunit in an inactive transcription complex.

[0008] To date, no crystal structures have been provided for the AML1 Runt domain, or CBFβ, either alone or as a heterodimeric complex; moreover, a crystal structure of the AML1 Runt domain:CBFβ:DNA ternary complex, which would explain the interaction of the AML1 Runt domain:CBFβ complex with DNA, has not been available.

SUMMARY OF THE INVENTION

[0009] The present invention provides a crystal comprising the AML1 Runt domain, and a crystal comprising CBFβ, as well as crystal structures of complexes thereof with each other and with DNA.

[0010] As mentioned above, AML1 and CBFβ dimerise in vivo to produce a transcription factor complex, and the Runt domain of AML1 is responsible for heterodimerisation to the β-subunit. In a further aspect, the present invention provides a crystal structure for a complex between the AML1 Runt domain and CBFβ. The structure of this crystal has been determined and is set forth in Table 3.

[0011] Elucidation of the crystal structure of the AML1 Runt domain:CBFβ complex reveals the regions of the AML1 Runt domain and CBFβ which are involved in heterodimerisation. In a further aspect, the present invention provides a crystal structure comprising the regions of the AML1 Runt domain and/or the regions of CBFβ which are involved in heterodimerisation.

[0012] In particular, the crystal structure indicates that the regions of the AML1 Runt domain which are involved in heterodimerisation include loops βF-G, βO-A, βB-C and βC-D and strands βC, βF and βG, and that the regions of CBFβ which are involved in heterodimerisation include arnino-terminal loop and helix H1; strand β1 and loop β1-H3; strands β2, β3 and the connecting loop β2-β3; and strand β4 and the at least part of loop β4-β5. The residues of the AML1 Runt domain and CBFβ involved in heterodimerisation are shown in Table 2.

[0013] The crystal structure of the heterodimeric complex enables a model to be produced for AML1, CBFβ and the heterodimerisation region. Thus, the present invention provides a model which can be used to screen for ligands which are capable of interacting with the AML1 Runt domain and/or CBFβ.

[0014] The present invention moreover provides a crystal structure of an AML1 Runt domain:CBFβ:DNA ternary complex. Such a structure may be used to produce a model of the AML1 Runt domain:CBFβ—DNA interaction, and accordingly of the key interactions between the polypeptides and DNA which are important in mediating DNA binding. Thus, the present invention provides a model which can be used to screen for ligands which are capable of modulating the DNA binding capacity of the AML-1 Runt domain. Such a ligand may, for example, induce or prevent a CBFβ-associated conformational change in AML1, modulate DNA-induced conformation change in the AML1 Runt domain:CBFβ heterodimer, or block the DNA binding site on the AML1 Runt domain.

[0015] The above model indicates that the regions of the AML1 Runt domain involved in DNA interaction include loops A′-B and E′-F and the C-terminus. The above model also provides information on the structural rearrangements of the Runt domain induced by the conformational change. In particular, the conformational change results in ordering of the C-terminal residues of the Runt domain and shifting of the βA′-βG′β sheet towards the βE′-F loop. There is also a shift in the position of Cys 81 of the Runt domain, such that it may form hydrogen-bonding interactions with Thr 169 and/or Val 137. From the model, it can be predicted that stabilisation of the Tyr162 side chain of the Runt domain induces the conformational change.

[0016] The present invention also provides a computer readable medium having stored thereon the crystal structure of the AML1 Runt domain and/or CBFβ, or one of the above-mentioned models.

[0017] In addition to the ligand itself, the present invention also provides a pharmaceutical composition comprising such a ligand, and a method of treating and/or preventing a disease comprising administering such a ligand or pharmaceutical composition to a mammalian patient. The method is predicted to be particularly useful in treating and/or preventing leukaemias which are associated with chromosomal translocations involving AML1 and CBFB genes.

BRIEF DESCRIPTION OF DRAWINGS

[0018]
FIG. 1 The crystal packing arrangement in the unit cell. Six Runt domain subunits and four CBFβ subunits are packed in alternating layers in the crystal. One layer is composed of two dimers of heterodimers (Runt domain/CBFβ)2, and the second comprises a single Runt domain homodimer. Runt domain subunits are labelled A, C, E, G, Q and R; CBFβ subunits are labelled B, D, F and H.

[0019]
FIG. 2 Structure of the Runt domain/CBFβ heterodimeric complex

[0020] (a) A stereoscopic diagram of the Cα trace of the AML1 Runt domain, residues 54-178, bound to CBFβ residues 2-135, prepared with MOLSCRIPT (Kraulis, 1991). CBFβ residues 73-78 are highly disordered and are not shown. The numbering corresponds to the amino acid sequences of human AML1 (Miyoshi et al., 1991) and human CBFβ (Liu et al., 1993).

[0021] (b) Ribbon diagram of a dimer of Runt domain/CBFβ heterodimers (two per asymmetric unit). The Runt domain β-strands are labelled βO to βG, consistent with the established immunoglobulin fold nomenclature (Nagata et al., 1999). The extensions to strands βA and βG, respectively, have been labelled βA′ and βG′. The β-strands of CBFβ are labelled β1-6, and the helices numbered H1-5, consistent with previous nomenclature (Goger et al., 1999). Only one hydrogen bond corresponding to a short potential 310 helix was seen in the region corresponding to helix H4, which was not therefore represented. The figure was prepared with MOLSCRIPT (Esnouf, 1997).

[0022] (c) Sequence alignment of the human AML1 Runt domain with human homologues AML1, AML2 and AML3, PEBP2αB from mouse, SpRunt from the sea-urchin Strongylocentrotus purpuratus, Xanml1 from Xenopus laevis, Lozenge and Runt from Drosophila, RNT-1 from C. elegans (program CLUSTALW (Thompson et al., 1994), manually adjusted). Absolutely conserved residues are shaded in dark grey, conservatively substituted residues are shaded in pale grey. Secondary structure elements follow the scheme of (a). The last line of the alignment shows the structural homology of the Runt domain to murine STAT3β. Conserved residues in the sequence are indicated. The numbering for STAT3β is based on the murine sequence (Acc. No. P42227).

[0023] (d) Sequence alignment of human CBFβ and the Drosophila homologues Brother and Big Brother. The numbering is for human CBFβ (Acc. No. Q13951). Secondary structure elements follows the scheme of (b). Residues 70-74 in CBFβ have no equivalent in Drosophila, and are indicated by dashed lines.

[0024]
FIG. 3 The mode of interaction between the Runt domain and CBFβ.

[0025] (a) Runt domain (Runt) and CBFβ viewed parallel to the long axis of CBFβ. The concave surface of the Runt domain β-sheet, formed from strands βG, βF and βC, packs against the complementary concave strand β3 of CBFβ.

[0026] (b) Two views of the Runt domain/CBFβ structure related by a 180° rotation about the vertical axis. The long axes of the CBFβ and Runt domain β-barrels are orthogonal to one another.

[0027]
FIG. 4 The relative orientations of interacting Runt domain subunits differs in the dimer of heterodimer and homodimer interfaces.

[0028] The figure was generated by least squares superposition of the Runt domain chains C and A onto the Runt domain chains Q and R. Chains A and C are represented by thin lines, and chain R is shown in bold. Chain Q, which was superimposed onto chain C, is not shown.

[0029]
FIG. 5 The Runt domain complexed to CBFβ has a novel conformation.

[0030] Least squares superposition of the Cα trace of the Runt domain from the crystal structure onto the most closely related NMR conformer (PDB code 1cmo (Nagata et al., 1999)), (the analysis was performed for all the NMR conformers, and similar results were obtained). The NMR structure of the Runt domain is depicted as thick lines, and the crystal structure is depicted as thin lines.

[0031]
FIG. 6 The location of human disease mutations on the core binding factor structure

[0032] (a) A ribbon diagram of the Runt domain/CBFβ heterodimer is shown in which residues mutated in cleidocranial dysplasia (G158, M124, T149, L148, F146, S140, R139, R174 and K167), familial platelet disorder (FPD) and acute myeloid leukaemia (R135, C81, C83, R80, D171, R139, R174 and R177) are indicated.

[0033] (b) Model orienting the core binding factor heterodimer with respect to B-form DNA. The model was generated by least squares superposition of the coordinates of the STAT3β-DNA complex (PDB code, 1bgl (Becker et al., 1998)) onto the AMT1 Runt domain. The amino acid residues mutated in human disease mutations are indicated as spheres.

[0034]
FIG. 7 Overall structure of the AML1 Runt domain-CBFβ-DNA ternary complex.

[0035] (a) Ribbon diagram of the ternary complex. This view has the DNA axis parallel to the plane of the page. The Runt domain is shown in cyan; CBFβ, magenta; DNA strand E, yellow; DNA strand F, mauve. Strands and helices are labelled consistent with (Warren et al., 2000), except for an additional β-strand in CBFβ, labelled β3′. The structural features of the Runt domain that contact the DNA are highlighted: strand βA′ and part of loop βA′-B (residues T77-T84) in red; loop βE-F (residues N132-S145) in green, including the ‘wing’ (residues R139-S145); strand βG′ (residues 166-169) in grey; the extended C-terminal ‘tail’ (residues V170-R177) in blue. Residues 75-79 of CBFβ are disordered and are shown as a dashed line. Numbering corresponds to the amino acid sequences of human AML1 (Miyoshi et al., 1991) and CBFβ (Liu et al., 1993). Figures were prepared with the program PREPI.

[0036] (b) View of the ternary complex rotated by 90° about the x-axis so that the DNA axis is perpendicular to the page.

[0037] (c) Surface representation of the ternary complex. The Runt domain clamps DNA strand F between the C-terminal ‘tail’ in the major groove and the ‘wing’, which straddles across the nucleotide backbone into the minor groove. The figure was prepared using GRASP (Nicholls et al., 1991).

[0038] (d) The sequence of the DNA duplex used for the co-crystallisation is shown with the numbering scheme used in the text.

[0039]
FIG. 8 DNA recognition by the AML1 Runt domain-CBFβ protein complex

[0040] (a) Polar (red) and hydrophobic (blue) interactions between the DNA and the protein. DNA strand E is shown in yellow, strand F, mauve. The central 6 base pairs corresponding to the consensus DNA binding sequence are highlighted in bold. The indirect water contact from T84 to base T3, atom 02P (strand E) is found in only one of the two complexes.

[0041] (b) Ribbon diagram of the interactions of the AML1 Runt domain with DNA. Structural elements involved in DNA binding are highlighted as in FIG. 1. Residues making contacts to DNA that are mutated in human disease are indicated by black boxes. Polar interactions are indicated by dashed lines. The included water molecules (red spheres) are present in both copies of the complex. Figure was prepared with MOLSCRIPT (Kraulis, 1991).

[0042]
FIG. 9 DNA-induced conformational change in the Runt domain-CBFβ complex.

[0043] Least squares superposition of the Cα traces of the Runt domain-CBFβ crystal structure (pdb code 1 e50) onto the Runt domain-CBFβ-DNA ternary complex crystal structure. In the ternary complex, the Runt domain is coloured cyan, and CBFβ is magenta; the superimposed binary complex shows the Runt domain in brown, CBFβ in yellow. Arrows indicate Runt domain residue G143 and the C-terminal ‘tail’. Residues K144 (‘wing’), D110 and E111 (loop βC-D) are indicated. The two structures differ in the relative positions of the βE′-F loop and the C-terminal ‘tail’.

[0044]
FIG. 10 β-galactosidase activity conferred by wild type and mutated Runt domains in yeast one-hybrid assays

[0045] (a) Filter β-galactosidase assays. The GAL4-Runt domain fusion derivatives carried in the yeast transformants are indicated. Six independent colonies were streaked in each segment.

[0046] (b) Quantitative liquid β-galactosidase assays.

[0047]
FIG. 11 Comparison of DNA recognition mechanism of the AML1 Runt domain, class II Rel proteins and NFAT.

[0048] Specific base contacts are indicated by arrows for the human AML1 Runt domain (this work), mouse p65 (Chen et al., 2000), Gambifl (Cramer et al., 1999) and NFAT (Chen et al., 1998). The buttressing hydrogen bonds made from the conserved glutamates or aspartate (Runt domain) are indicated (dashed lines). The conserved GG core elements are highlighted in red.

DETAILED DESCRIPTION OF THE INVENTION

[0049] In one aspect of the present invention, there is provided a crystal comprising the AML1 Runt domain and/or CBFβ and/or the DNA bound by the AML1:CBFβ dimer.

[0050] As used herein, the term “crystal” means a structure (such as a three dimensional (3D) solid aggregate) in which the plane faces intersect at definite angles and in which there is a regular structure (such as internal structure) of the constituent chemical species. Thus, the term “crystal” can include any one of: a solid physical crystal form such as an experimentally prepared crystal, a 3D model based on the crystal structure, a representation thereof such as a schematic representation thereof or a diagrammatic representation thereof, a data set thereof for a computer.

[0051] As explained above, the Runt domain is highly conserved between members of the CBF family of transcription factors, and the majority of disease-associated mutations cluster within this domain. The Runt domain spans an 128 amino acid region, and mediates both DNA binding and heterodimerisation to the β-subunit. The AML1 Runt domain spans amino acid residues 50-177 out of 451. The complete coding sequence for AML1 (including the three versions generated by alternative splicing) are available (for example, GenBank accession numbers NM001754, AF 0258411, E05037 and D43967-D43969).

[0052] CBFβ is the β-subunit of the core-binding factors, which associates with any of the three α-subunits (AML1, AML2 and AML3). The complete sequence of CBFβ is known (see, for example, Ogawa et al (1993) Virology 194:314-331, or GenBank accession No: L20298).

[0053] In another aspect of the present invention, there is provided a crystal comprising a complex between the AML1 Runt domain and CBFβ.

[0054] The core binding factors function as heterodimers of a DNA-binding α-subunit (such as AML1) and a non-DNA-binding β-subunit (CBFβ). The crystals of this aspect of the invention may be made by crystallising pre-formed heterodimers, so as to co-crystallise the α and β-subunits.

[0055] In a preferred embodiment of this aspect of the invention, the asymmetric unit of the crystal comprises six Runt domain subunits and four CBFβ subunits arranged as two dimers of Runt domain/CBFβ heterodimers (Runt domain/CBFβ)2 and a Runt domain homodimer (as shown in FIG. 1). Most preferred is a crystal with has P21 symmetry which comprises a unit cell having the following dimensions: a=103.2 Å, b=79.4 Å, c=130.1 Å. Depending on the particular conditions used for crystallisation, the above parameters characterising the unit cell may vary within a limited range, for example, a, b and c may vary by up to 5.

[0056] In a highly preferred embodiment of this aspect of the invention, the crystal has the structural coordinates as shown in Table 3.

[0057] As used herein, the term “structural co-ordinates” refer to a set of values which define the position of one or more amino acid residues with reference to a system of axes.

[0058] The present invention also provides a crystal structure of the AML1 Runt domain and/or CBFβ. The structure of the crystal may be solved by any known method, for example by X-ray diffraction followed by multiple anomalous dispersion (MAD).

[0059] The crystal structure of a AML1 Runt domain:CBFβ complex of the present invention provides information about the overall structure of each subunit and about the particular elements of secondary structure for each subunit which are involved in heterodimerisation. In this respect, the crystal structure indicates that the regions of which AML1 are important in heterodimerisation include various loops between β strands (namely βF-G, βO-A, βB-C and βC-D) and a number of β-strands (βC, βF and βG). As regards CBFβ, the following elements of secondary structure are indicated as being of importance: amino-terminal loop and α-helix H1; strand β1 and the loop between β1 and α-helix H3; β-strands β2, β3 and the connecting loop β2-β3; and β-strand β4 and the proximal part of loop β4-β5.

[0060] As used herein, the term “α-helix” means a helical or spiral configuration of a polypeptide chain in which successive turns of the helix are held together by hydrogen bonds between the amide (peptide) links, the carbonyl group of any given residue being hydrogen-bonded to the imino group of the third residue behind it in the chain. This is the case for all of the carbonyl and amide groups of the peptide bonds of the main chain. Typically, the α-helix has 3.6 residues per turn and the translation or pitch along the helical axis is 1.5 Å per residue and 5.4 Å per turn. The helix may be left- or right-handed, the latter being much more common. The a-helix is one of the two basic elements of the secondary structure adopted by the polypeptide chain within the hydrophobic core of a globular protein. The other basic element is the β strand.

[0061] β strands are usually from 5 to 10 residues long and are in an almost fully extended conformation with φ, ψ angles within the broad structurally allowed region in the upper left quadrant of the Ramachandran plot. These β strands are aligned adjacent to each other such that hydrogen bonds can form between C'O groups of one β strand and NH groups on an adjacent β strand and vice versa. Parallel or antiparallel β sheets may be formed from several such β strands which are “pleated” with Cα atoms successively a little above and below the plane of the β sheet. The side chains follow this pattern such that within a β strand they also point alternatively above and below the β sheet.

[0062] The amino acid residues involved in heterodimerisation (as elucidated from the crystal structure) are shown in Table 2.

[0063] By using known modelling techniques, the crystal structure of the present invention can be used to produce a model for at least part of the AML1 Runt domain and/or at least part of CBFβ and/or for DNA binding by the AML1 Runt domain.

[0064] As used herein, the term “modelling” includes the quantitative and qualitative analysis of molecular structure and/or finction based on atomic structural information and interaction models. The term “modelling” includes conventional numeric-based molecular dynamic and energy minimisation models, interactive computer graphic models, modified molecular mechanics models, distance geometry and other structure-based constraint models.

[0065] The crystal structure of the present invention can be used to generate a structural model such as a three dimensional (3D) structural model (or a representation thereof). Alternatively, the crystal structure may be used to generate a computer model for the structure.

[0066] In a preferred embodiment, a model for DNA binding by the AML1 Runt domain is generated by least squares superimposition of the coordinates of the STAT3β/DNA co-crystal complex on to the AML1 Runt domain. STAT3β is a transcription factor to which the AML1 Runt domain is closely related.

[0067] In a further aspect, the invention provides a crystal structure for a AML1:CBFβ:DNA ternary complex. In a preferred aspect, the crystal has the coordinates set forth in table 4.

[0068] The structure may be used to evaluate the accuracy of models prepared as described above; moreover, more accurate representations of the ternary complex may be based directly on the coordinates, thus obviating the need for models as described above altogether.

[0069] In another aspect of the present invention, the above-mentioned models and structures may be used to screen for ligands which are capable of binding the AML1 Runt domain and/or CBFβ and/or which are capable of modulating the DNA binding capacity of the AML1 Runt domain.

[0070] The screen may employ a solid 3D screening system or a computational screening system. Using these systems, test compounds may be screened to find those which interact spatially and preferentially with the AML1 Runt domain and/or CBFβ and/or DNA, through either computational or manual docking.

[0071] As used herein, the term “test compound” means a compound which may be tested for its capacity to interact with the AML1 Runt domain and/or CBFβ and/or to modulate the DNA binding capacity of the AML1 Runt domain. The test compound may be designed or obtained from a library of compounds which may comprise peptides, as well as other compounds, such as small organic molecules and particularly new lead compounds. By way of example, the test compound may be a natural substance, a biological macromolecule, or an extract made from biological materials such as bacteria, fungi, or animal (particularly mammalian) cells or tissues, an organic or an inorganic molecule, a synthetic test compound, a semi-synthetic test compound, a structural or functional mimetic, a peptide, a peptidomimetics, a derivatised test compound, a peptide cleaved from a whole protein, or one or more peptides synthesised synthetically (such as, by way of example, either using a peptide synthesiser or by recombinant techniques or combinations thereof, a recombinant test compound, a natural or a non-natural test compound, a fusion protein or equivalent thereof and mutants, derivatives or combinations thereof.

[0072] Thus, the structural information from the crystal structure of the present invention is useful in the design of potential ligands capable of interacting with the AML1 Runt domain and/or CBFβ and/or capable of modulating the DNA binding capacity of the AML1 Runt domain, and the models of the present invention are useful to examine the effect such a ligand is likely to have on the structure and/or function of the AML1 Runt domain and/or CBFβ. The present invention also relates to a ligand identified using such methods.

[0073] As used herein, the term “ligand” refers to a test compound capable of binding to AML1 Runt domain and/or CBFβ. Preferably the ligand modulates the interaction between AML1 Runt domain and CBFβ, and/or modulates the DNA binding capacity of the AML1 Runt domain.

[0074] The ligands may be natural or synthetic. The term “ligand” also refers to a chemically modified ligand.

[0075] In one aspect, the identified ligand may act as a ligand model (for example, a template) for the development of other compounds.

[0076] Ligands which interact with the heterodimerisation regions of AML1 Runt domain or CBFβ may influence the heterodimerisation capacity. Such ligands may interact with at least some of loops βF-G, βO-A, βB-C and βC-D and strands βC, βF and βG of the AML1 Runt domain or at least some of the following elements of secondary structure of CBFβ: amino-terminal loop and helix H1; strand β1 and loop β1-H3; strands β2, β3 and the connecting loop β2-β3; and strand β4 and the at least part of loop β4-β5. Such ligands may interact with the at least some of the heterodimerisation residues shown in Table 2, for example, a sufficient number of heterodimerisation residues to influence the heterodimerisation capacity. Further sites for ligand interaction will be apparent from the following examples.

[0077] As explained above, the fusion proteins resulting from leukaemia-associated chromosomal translocations involving AML1 and CBFB genes retain the capacity to heterodimerise. From a therapeutic perspective, it is therefore preferable for a ligand which binds to the heterodimerisation region of the active heterodimer also to be able to bind to the mutant heterodimer.

[0078] Ligands which are capable of modulating the DNA-binding capacity of the AML1 Runt domain may be able to bind the A′-B and E′-F loops and the C-terminus of the AML1 Runt domain.

[0079] As explained above, the binding of CBFβ enhances DNA binding by the Runt domain. The crystal structure of the present invention supports the theory that this is due to a conformational change in the Runt domain, and gives information about the structural rearrangements in the AML1 domain responsible for the increased binding affinity. The ligand of the present invention may enhance the DNA binding affinity of an AML1 Runt domain by inducing a conformational change in the Runt domain.

[0080] The conformational change may, for example, be analogous to the conformational change induced by CBFβ-binding, such as to result in ordering of the C-terminal residues of the Runt domain and shifting of the βA′-βG′β sheet towards the βE′-F loop and/or to cause a shift in the position of Cys 81 of the Runt domain, such that it may form hydrogen-bonding interactions with Thr 169 and/or Val 137.

[0081] Again, in a manner analogous to CBFβ binding, the ligand may stabilise the Tyr162 side chain of the Runt domain, thus inducing the conformational change.

[0082] Test compounds and ligands which are identified with the crystal of the present invention can be screened in assays such as are well known in the art. Screening can be, for example in vitro, in cell culture, and/or in vivo. Biological screening assays preferably centre on activity-based response models, binding assays (which measure how well a compound binds to the AML1 Runt domain and/or CBFβ), and bacterial, yeast and animal cell lines (which measure the biological effect of a compound in a cell). The assays can be automated for high capacity-high throughput screening (HTS) in which large numbers of compounds can be tested to identify compounds with the desired activity. The biological assay, may also be an assay for ligand binding activity a compound that selectively binds to AML1 Runt domain and/or CBFβ.

[0083] The ligand of the present invention may be used in a pharmaceutical composition, optionally together with a pharmaceutically acceptable carrier, diluent or excipient (including combinations thereof).

[0084] The pharmaceutical compositions may be for human or animal usage in human and veterinary medicine and will typically comprise any one or more of a pharmaceutically acceptable diluent, carrier, or excipient. Acceptable carriers or diluents for therapeutic use are well known in the pharmaceutical art, and are described, for example, in Remington's Pharmaceutical Sciences, Mack Publishing Co. (A. R. Gennaro edit. 1985). The choice of pharmaceutical carrier, excipient or diluent can be selected with regard to the intended route of administration and standard pharmaceutical practice. The pharmaceutical compositions may comprise as—or in addition to—the carrier, excipient or diluent any suitable binder(s), lubricant(s), suspending agent(s), coating agent(s), solubilising agent(s).

[0085] Preservatives, stabilisers, dyes and even flavouring agents may be provided in the pharmaceutical composition. Examples of preservatives include sodium benzoate, sorbic acid and esters of p-hydroxybenzoic acid. Antioxidants and suspending agents may be also used.

[0086] There may be different composition/formulation requirements dependent on the different delivery systems. By way of example, the pharmaceutical composition of the present invention may be formulated to be delivered using a mini-pump or by a mucosal route, for example, as a nasal spray or aerosol for inhalation or ingestable solution, or parenterally in which the composition is formulated by an injectable form, for delivery, by, for example, an intravenous, intramuscular or subcutaneous route. Alternatively, the formulation may be designed to be delivered by both routes.

[0087] Where the pharmaceutical composition is to be delivered mucosally through the gastrointestinal mucosa, it should be able to remain stable during transit though the gastrointestinal tract; for example, it should be resistant to proteolytic degradation, stable at acid pH and resistant to the detergent effects of bile.

[0088] Where appropriate, the pharmaceutical compositions can be administered by inhalation, in the form of a suppository or pessary, topically in the form of a lotion, solution, cream, ointment or dusting powder, by use of a skin patch, orally in the form of tablets containing excipients such as starch or lactose or chalk, or in capsules or ovules either alone or in admixture with excipients, or in the form of elixirs, solutions or suspensions containing flavouring or colouring agents, or they can be injected parenterally, for example intravenously, intramuscularly or subcutaneously. For parenteral administration, the compositions may be best used in the form of a sterile aqueous solution which may contain other substances, for example enough salts or monosaccharides to make the solution isotonic with blood. For buccal or sublingual administration the compositions may be administered in the form of tablets or lozenges which can be formulated in a conventional manner.

[0089] The invention further provides a method of preventing and/or treating disease in a mammal, the method comprising administering to a mammal a ligand or pharmaceutical composition of the present invention.

[0090] Typically, a physician will determine the actual dosage which will be most suitable for an individual subject and it will vary with the age, weight and response of the particular patient and severity of the condition. The dosages below are exemplary of the average case. There can, of course, be individual instances where higher or lower dosage ranges are merited.

[0091] The compositions (or component parts thereof) of the present invention may be administered orally. In addition or in the alternative the compositions (or component parts thereof) of the present invention may be administered by direct injection. In addition or in the alternative the compositions (or component parts thereof) of the present invention may be administered topically. In addition or in the alternative the compositions (or component parts thereof) of the present invention may be administered by inhalation. In addition or in the alternative the compositions (or component parts thereof) of the present invention may also be administered by one or more of: parenteral, mucosal, intramuscular, intravenous, subcutaneous, intraocular or transdermal administration means, and are formulated for such administration.

[0092] By way of further example, the pharmaceutical composition of the present invention may be administered in accordance with a regimen of 1 to 10 times per day, such as once or twice per day. The specific dose level and frequency of dosage for any particular patient may be varied and will depend upon a variety of factors including the activity of the specific compound employed, the metabolic stability and length of action of that compound, the age, body weight, general health, sex, diet, mode and time of administration, rate of excretion, drug combination, the severity of the particular condition, and the host undergoing therapy.

[0093] The term “administered” also includes but is not limited to delivery by a mucosal route, for example, as a nasal spray or aerosol for inhalation or as an ingestable solution; a parenteral route where delivery is by an injectable form, such as, for example, an intravenous, intramuscular or subcutaneous route.

[0094] Hence, the pharmaceutical composition of the present invention may be administered by one or more of the following routes: oral administration, injection (such as direct injection), topical, inhalation, parenteral administration, mucosal administration, intramuscular administration, intravenous administration, subcutaneous administration, intraocular administration or transdermal administration.

[0095] The method of the present invention is particularly suited to the treatment or prevention of acute myeloid leukaemia (AML), childhood acute lymphoblastic leukaemias, therapy-related leukaemias, myelodysplasia, familial platelet disorder (FDP), cleidocranial dysplasia (CCD), and conditions associated with impaired osteogenesis and/or haematopoiesis.

[0096] In particular, the method of the invention is used to treat to prevent a leukaemia associated with chromosomal translocations involving the AML1 and/or the CBFB gene.

[0097] Production of the Crystal

[0098] The crystals of the present invention may be prepared by expressing a nucleotide sequence encoding the AML1 Runt domain and/or CBFβ, by the use of a suitable host cell, and then crystallising the purified protein(s).

[0099] As used herein, the term “nucleotide sequence” refers to nucleotide sequences, oligonucleotide sequences, polynucleotide sequences and variants, homologues, fragments and derivatives thereof (such as portions thereof) which comprise the nucleotide sequences encoding the AML1 Runt domain and/or CBFβ amino acid sequences. The nucleotide sequence may be DNA or RNA of genomic or synthetic or recombinant origin which may be double-stranded or single-stranded whether representing the sense or antisense strand or combinations thereof. Preferably, the term nucleotide sequence is prepared by use of recombinant DNA techniques (e.g. recombinant DNA). The nucleotide sequence may include within them synthetic or modified nucleotides. A number of different types of modification to oligonucleotides are known in the art. These include methylphosphonate and phosphorothioate backbones, addition of acridine or polylysine chains at the 3′ and/or 5′ ends of the molecule. For the purposes of the present invention, it is to be understood that the nucleotide sequences described herein may be modified by any method available in the art. Such modifications may be carried out in order to enhance the in vitro activity or life span of nucleotide sequences of the invention.

[0100] To produce an AML1 Runt domain:CBFβ complex, it is preferable for the gene encoding the AML1 Runt domain and the gene encoding CBFβ to be “coexpressed” (i.e. driven from the same promoter).

[0101] The nucleotide sequence may encode the wild type AML1 runt domain amino acid sequence shown in SEQ ID No 1, and/or at least residues 2-135 of the wild type CBFβ sequence shown SEQ ID No 2, or a mutant or homologue thereof.

[0102] The term “wild type” refers to the phenotype that is characteristic of most of the members of a species occurring naturally and which contrasts with the phenotype of a mutant species.

[0103] The term “mutant” refers to any organism that has undergone mutation or that carries a mutant gene that is expressed in the phenotype of that organism. A mutation may arise due to a substitution of one nucleotide for another or from a deletion of a nucleotide or an insertion of a nucleotide relative to a referenced wild type sequence. These single nucleotide variations are sometimes referred to as single nucleotide polymorphisms (SNPs). Some SNPs may occur in protein-coding sequences, in which case, one of the polymorphic forms may give rise to the expression of a defective or other variant protein and, potentially, a genetic disease. Other SNPs may occur in noncoding regions. Some of these polymorphisms may also result in defective protein expression (e.g., as a result of defective splicing). Other SNPs may have no phenotypic effects.

[0104] As used herein, the term “mutant” refers to polypeptide comprising any one or more changes in the sequence (the structural co-ordinates) and of the amino acid residues in the AML1 Runt domain and/or CBFβ. In particular, but not exclusively, the mutation in the AML1 Runt domain and/or CBFβ may be in those regions involved in heterodimerisation (as shown in Table 2).

[0105] As used herein, the term “homologue” refers to an AML1 Runt domain and/or CBFβ or a portion thereof which may have deletions, insertions or substitutions of amino acid residues as long as the binding specificity of the molecule is retained. In this regard, deliberate amino acid substitutions may be made on the basis of similarity in polarity, charge, solubility, hydrophobicity, hydrophilicity, and/or the amphipathic nature of the residues as long as the binding specificity of the AML1 Runt domain and/or CBFβ molecule is retained.

[0106] A wide variety of host cells can be employed for expression of the nucleotide sequences encoding the AML1 Runt domain and/or CBFβ proteins of the present invention. These cells may be both prokaryotic and eukaryotic host cells. Suitable host cells include bacteria such as E. coli, yeast, filamentous fungi, insect cells, mammalian cells, typically immortalised, e.g., mouse, CHO, human and monkey cell lines and derivatives thereof. Preferred host cells are able to process the expression products to produce an appropriate mature polypeptide(s). Processing includes but is not limited to glycosylation, ubiquitination, disulphide bond formation and general post-translational modification.

[0107] The proteins comprising the AML1 Runt domain and/or CBFβ, produced by a host recombinant cell, may be secreted or may be contained intracellularly depending on the nucleotide sequence and/or the vector used. As will be understood by those of skill in the art, expression vectors containing the AML1 Runt domain and/or CBFβ encoding nucleotide sequences can be designed with signal sequences which direct secretion of the AML1 Runt domain and/or CBFβ coding sequences through a particular prokaryotic or eukaryotic cell membrane.

[0108] Other recombinant constructions may join the AML1 Runt domain and/or CBFβ encoding sequence to nucleotide sequence encoding a polypeptide domain which will facilitate purification of soluble proteins (Kroll D J et al (1993) DNA Cell Biol 12:441-53). Such purification facilitating domains include, but are not limited to, metal chelating peptides such as histidine-tryptophan modules that allow purification on immobilised metals (Porath J (1992) Protein Expr Purif 3 -.26328 1), protein A domains that allow purification on immobilised immunoglobulin, and the domain utilised in the FLAGS extension/affinity purification system (Immunex Corp, Seattle, Wash.). The inclusion of a cleavable linker sequence such as Factor XA or enterokinase (Invitrogen, San Diego, Calif.) between the purification domain and the AR and PR is useful to facilitate purification.

[0109] The AML1 Runt domain and/or CBFβ may also be produced as fusion proteins, for example to aid in extraction and purification. Examples of fusion protein partners include glutathione-S-transferase (GST), 6×His, GAL4 (DNA binding and/or transcriptional activation domains) and β-galactosidase. It may also be convenient to include a proteolytic cleavage site between the fusion protein partner and the protein sequence of interest to allow removal of fusion protein sequences.

[0110] Preferably the fusion protein will not hinder the heterodimerisation capacity of the AML1 Runt domain and/or CBFβ.

[0111] After expression, the proteins may be purified and/or concentrated, for example by immobilised metal affinity chromatography, ion-exchange chromatography, and/or gel filtration. For crystals of the AML1 Runt domain:CBFβ complex, the AML1 Runt domain and CBFβ fragments may be purified and allowed to dimerise in solution. The capacity of the complex to bind DNA may be determined by, for example, electrophoretic mobility shift assays.

[0112] The protein(s) may be crystallised using any of the known techniques. Usually, in a crystallisation process, a crystallisation buffer is prepared with a lower concentration of a precipitating agent necessary for crystal formation. For crystal formation, the concentration of the precipitating agent has to be increased, by addition of precipitating agent or by diffusion of the precipitating agent between the crystallisation buffer and a reservoir buffer. Diffusion may be achieved by known techniques such as the “hanging drop” or the “sitting drop” method. In these methods, a drop of crystallisation buffer containing the protein(s) is hanging above or sitting beside a much larger pool of reservoir buffer. Alternatively, the balancing of the precipitating agent can be achieved through a semi-permeable membrane that separates the crystallisation buffer and prevents dilution of the protein into the reservoir buffer.

[0113] Generating the Crystal Structure

[0114] Once the crystals have been obtained, the structure may be solved by known X-ray diffraction techniques. Many techniques use chemically modified crystals, such as those modified by heavy atom derivatization. In practice, a crystal is soaked in a solution containing heavy metal atom salts, or organometallic compounds, e.g., lead chloride, gold thiomalate, thimerosal or uranyl acetate, which can diffuse through the crystal and bind to the surface of the protein. The location(s) of the bound heavy metal atom(s) can then be determined by X-ray diffraction analysis of the soaked crystal. The patterns obtained on diffraction of a monochromatic beam of X-rays by the atoms (scattering centres) of the crystal can be solved by mathematical equations to give mathematical coordinates. The diffraction data are used to calculate an electron density map of the repeating unit of the crystal. The electron density maps are used to establish the positions of the individual atoms within the unit cell of the crystal. Blundel, T. L. and N. L. Johnson, Protein Crystallography, Academic Press (1976).

[0115] Those of skill in the art would understand that a set of structure coordinates determined by X-ray crystallography is not without standard error. For the purpose of this invention, any set of structure coordinates for AML1: CBFβ complexes that have a root mean square deviation of protein backbone atoms of less than 0.75 Å when superimposed (using backbone atoms) on the structure coordinates listed in Table 3 shall be considered identical.

[0116] Modelling

[0117] The three dimensional structure of a new crystal may be modelled using molecular replacement. The term “molecular replacement” refers to a method that involves generating a preliminary model of a molecule or complex whose structure coordinates are unknown, by orienting and positioning a molecule whose structure coordinates are known within the unit cell of the unknown crystal, so as best to account for the observed diffraction pattern of the unknown crystal. Phases can then be calculated from this model and combined with the observed amplitudes to give an approximate Fourier synthesis of the structure whose coordinates are unknown. This, in turn, can be subject to any of the several forms of refinement to provide a final, accurate structure of the unknown crystal. Lattman, E., “Use of the Rotation and Translation Functions”, in Methods in Enzymology, 115, pp. 55-77 (1985); M. G. Rossmann, ed., “The Molecular Replacement Method”, Int. Sci. Rev. Ser., No. 13, Gordon & Breach, New York, (1972).

[0118] Other molecular modelling techniques may also be employed in accordance with this invention. See, e.g., Cohen, N. C. et al., “Molecular Modelling Software and Methods for Medicinal Chemistry”, J. Med. Chem., 33, pp. 883-894 (1990). See also, Navia, M. A. and M. A. Murcko, “The Use of Structural Information in Drug Design”, Current Opinions in Structural Biology, 2, pp. 202-210 (1992).

[0119] Using the structure coordinates of the AML1:CBFβ crystal complex provided by this invention, molecular replacement may be used to determine the structure coordinates of a crystalline mutant or homologue of AML1 and/or CBFβ or of a related protein (such as AML2, AML3, or another transcription factor).

[0120] Ligand Screening

[0121] One skilled in the art may use one of several methods to test compounds for their ability to associate with AML1 and/or CBFβ. This process may begin by visual inspection of, for example, a target site on the computer screen based on the structure coordinates given in Table 3. Selected test compounds may then be positioned in a variety of orientations, or docked, within an individual target site of AML1 and/or CBFβ as defined supra. Docking may be accomplished using software such as Quanta and Sybyl, followed by energy minimisation and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER. Specialised computer programs may also assist in the process of selecting potential ligands. These include:

[0122] 1. GRID (Goodford, P. J., “A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules”, J. Med. Chem., 28, pp. 849-857 (1985)). GRID is available from Oxford University, Oxford, UK.

[0123] 2. MCSS (Miranker, A. and M. Karplus, “Functionality Maps of Binding Sites: A Multiple Copy Simultaneous Search Method.” Proteins: Structure. Function and Genetics, 11, pp. 29-34 (1991)). MCSS is available from Molecular Simulations, Burlington, Mass.

[0124] 3. AUTODOCK (Goodsell, D. S. and A. J. Olsen, “Automated Docking of Substrates to Proteins by Simulated Annealing”, Proteins: Structure. Function, and Genetics, 8, pp. 195-202 (1990)). AUTODOCK is available from Scripps Research Institute, La Jolla, Calif.

[0125] 4. DOCK (Kuntz, I. D. et al., “A Geometric Approach to Macromolecule-Ligand Interactions”, J. Mol. Biol., 161, pp. 269-288 (1982)). DOCK is available from University of California, San Francisco, Calif.

[0126] Once a ligand has been optimally selected or designed, substitutions may then be made in some of its atoms or side groups in order to improve or modify its binding properties. Generally, initial substitutions are conservative, i.e., the replacement group will have approximately the same size, shape, hydrophobicity and charge as the original group. It should, of course, be understood that components known in the art to alter conformation should be avoided. Such substituted chemical compounds may then be analysed for efficiency of fit to AML1 and/or CBFβ by the same computer methods described above.

EXAMPLES

[0127] The following examples serve to illustrate the present invention, but should not be construed as a limitation thereof. The invention particularly relates to the specific embodiments described in these examples.

Example 1 Crystallisation of the Runt Domain/CBFβ Complex

[0128] Protein Expression and Purification

[0129] The DNA sequence encoding human AML1, residues 50-183 is amplified from plasmid pET/RM7 (gift of Dr. F. Calabi) by the polymerase chain reaction. A DNA fragment is obtained with unique restriction sites for BamH1 and EcoR1. This PCR fragment is cloned into the mini-pRSET vector (gift from O. Perisic), which allows transcription from the T7 promoter and adds 16 residues at the N-terminus (MRGSHHHHHHGLVPRG). The DNA sequence encoding human CBFP residues 1-135, is amplified by PCR from cDNA synthesised from RNA purified from HEL cells, to give a fragment with unique restriction sites for Nde1 and BamH1. This fragment is cloned downstream of a Shine-Delgarno sequence in pBluescript, and subsequently subcloned into the mini-pRSET vector downstream of the AML1 coding sequence. This bicistronic clone allows coexpression of AML1 and CBFβ from the same T7 promoter. Coexpression of the human AML1 and CBFβ proteins is convenient for obtaining a soluble functional heterodimeric complex without a requirement for mutagenesis or refolding.

[0130] The pmini-α/β expression plasmid is transfected into E.coli C41 (DE3) cells (Miroux and Walker, 1996). Transformed cells are grown at 37° C. in 2×TY medium containing ampicillin at 100 μg/ml to an OD600 of 0.6, induced for 4 hours with 1 mM isopropylthio-β-D-galactoside (IPTG). Cells are harvested and sonicated in 20 mM β-mercapto-ethanol, HEPES 20 mM pH 8.0, glycerol 10%, NaCl 500 mM, imidazole 20 mM. The expressed fragments of human AML1 (residues 50-183), herein referred to as the Runt domain, and CBFβ (residues 2-135) form a stable complex in solution which is fully active in sequence-specific DNA binding as determined by electrophoretic mobility shift assays (data not shown). The heterodimeric complex is purified from the lysate by immobilised metal affinity chromatography, ion-exchange chromatography, and gel filtration. To this end, the lysate is loaded onto a Ni2+-NTA column (Quiagen), washed extensively in the same buffer, and eluted (in 20 mM β-mercapto-ethanol, HEPES 20 mM pH 7.0, NaCl 500 mM, glycerol 10%, imidazole 150 mM) directly into tubes contained DTT and EDTA to final concentrations of 5 mM and 1 mM, respectively. The concentration of NaCl is reduced to 200 mM by dilution with NaCl-free buffer, and the sample applied to a Resource S column (Pharmacia) equilibrated in HEPES 20 mM pH 7.0, NaCl 200 mM, EDTA 1 mM and DTT, 5 mM. The eluate is applied to a HiPrep Sephacryl S100 column (Pharmacia), equilibrated in Hepes 20 mM, pH 6.6, NaCl 300 mM, DTT 1 mM and EDTA 0.1 mM. Pooled fractions are concentrated using a Centricon ultrafiltration membrane and aliquots stored in liquid nitrogen at a concentration of 12 mg/ml in a solution containing 20 mM Hepes pH 6.6, NaCl 300 mM, DTT 10 mM and EDTA 1 mM.

[0131] Preparation of Selenomethionine-substituted AML1/CBFβ

[0132] Selenomethionine (SeMet)-substituted protein is expressed from the pmini-α/β plasmid in the E.coli DE3 host, which is a methionine-requiring auxotroph. Log phase cells (OD600=0.3) precultured in 2×TY, are diluted 1:100 into 2×M9 minimal medium supplemented with 0.4% glucose, 19 amino acids at 40 μg/ml, seleno-L-methionine (Sigma) at 40 μg/ml, and vitamins at 1 μg/ml ((Ramakrishnan and Biou, 1997)). Bacteria are left to grow at 37° C., and are induced after 8 hours (OD600=0.6). Induction is at 25° C. overnight (OD600=1.1). The method of protein purification is identical to that of the unsubstituted protein. The masses of the unsubstituted and SeMet-substituted proteins are assayed by MALDI mass spectrophotometry (CBFμ-observed 15786 Da, calculated 15923 Da; AML1-observed 16730 Da, calculated 16720 Da; SeMet CBFβ-observed 15880 Da, SeMet AML1-observed 16916 Da) and is consistent with complete substitution of methionine residues with SeMet, but loss of the N-terminal methionine of CBFβ.

[0133] Crystallisation

[0134] Initially, crystals are grown by the hanging drop vapour diffusion technique. The purified complex is soluble up to concentrations of 30 mg/ml. Crystals of the complex are grown as hanging drops against a reservoir containing 100 mM imidazole, 6% PEG 8000, 5% sucrose and 5 mM DTT. Droplets are initially set up at 18° C. using 1μl of 12 mg/ml protein solution and 1 μl of crystallisation solution. Trays are equilibrated at 21° C. for at least one week. To overcome problems with crystal twinning, macroseeding is used to obtain diffraction quality crystals. Seeds are washed in 100 mM imidazole, 5% sucrose, 5% PEG 8000, 200 mM NaCl, 5% 2-methyl-2,4pentanediol (MPD) (Hampton), transferred individually to fresh drops of 2 μl 12 mg/ml protein and 2 μl wash buffer which had been pre-equilibrated overnight against buffer without the MPD additive, supplemented with 1 mM DTT. Crystals grew to their final size over 2 weeks. They are harvested by gradual transfer to a final cryobuffer containing 30% sucrose, 12% PEG 8000, 5% MPD, 200 mM NaCl, 100 mM imidazole pH 6.5, for 30 seconds and then cryocooled in liquid nitrogen. Crystals are prepared from SeMet substituted protein under similar conditions, except that 5% MPD is incorporated as an additive in the initial drops. Crystals belonging to space group P61 are also obtained using a crystallisation solution with 400 mM NaCl, HEPES 50 mM pH 7.5, 5 mM DTT, 5% PEG 8000. These are cryocooled by prior transfer to a buffer containing 30% glycerol, 100 mM HEPES pH 7.5, 200 mM NaCl, 5% PEG 8000.

Example 2 Crystal Structure Determination

[0135] Data Collection Crystals used for native protein data collection are typically 400×200×40 μm or larger, have P21 symmetry with unit cell dimensions of a=103.2 Å, b=79.4 Å, c=130.1 Å, β=101.63°. These crystals diffract to 2.6 Å. Se-Met substituted crystals have unit cell dimensions a=104.0 Å, b=79.3 Å, c=130.9 Å, β=101.5°, are somewhat smaller and diffract to only 2.8 Å resolution. Diffraction data for the native crystal are collected at ESRF beamline ID14-3 using a MAR CCD detector and the data for the Se-Met substituted crystal are collected at ID14-4 using an ADSC CCD detector. Native data are processed using MOSFLM (Leslie, 1992). Each data set is collected as 180 1° oscillations. For the Se-Met-substituted crystal, data sets are collected at two wavelengths, λ1=0.9793 Å and λ2=0.9795 Å, corresponding to the peak and inflection points in the fluorescence spectrum of a Se-Met-substituted crystal.

[0136] Data Processing

[0137] Data sets for the Se-Met-substituted crystal are integrated with HKL2000 and scaled with SCALEPACK. The native data are scaled and merged with SCALA. Final merging of the Se-Met data is carried out with SOLVE (Terwilliger and Berendzen, 1999). The R factor for dispersive differences between data collected at λ1 and data collected at λ2 is 0.046. The R factor for anomalous differences is 0.077 for λ1 and 0.066 for λ2. SOLVE is used to locate 21 Se sites. The SOLVE Z-scores for the Patterson correlation, cross-validation Fourier, native Fourier and mean figure of merit for the 21-site solution are 7.4, 52, 21 and 9.4, respectively. The overall Z-score is 66. The mean figure of merit is 0.47. Se-Met data to 3.5 Å resolution are used to provide an initial estimate for the phases of the native data set. Density modification is carried out to improve the phases and extend them to 2.6 Å resolution (Brünger et al., 1998). A model is built into the 2.6 Å resolution electron density maps using the program O (Jones et al., 1991), and refined using CNS (Brünger et al., 1998). The average B-factor for all atoms is 55.9 Å2. The structure shows good stereochemistry with no residues in disallowed regions of the Ramachandran plot. Additional native data sets may be collected from beamline 9.6 (Daresbury UK), beamline X16 (Hamburg Germany), and ELETTRA (Trieste, Italy).

Example 3 Homology Studies

[0138] The coordinates from the crystal structure are used to search the protein database for other transcription factors (such as p53, NF-κB p52, NF-κB p65, NFAT1, the T-domain and the STAT proteins) using the Dali server.

Example 4 Generating a Model for DNA Binding by the Runt Domain

[0139] Least squares superposition of the coordinates of the STAT3β/DNA (PDB code 1bgl) co-crystal complex onto the AML1 Runt domain is used to generate a model for major groove DNA binding by the Runt domain/CBFβ heterodimer.

[0140] Results 1 Structural Studies

[0141] Overall Crystal Structure of the Runt Domain/CBFβ Heterodimer

[0142] The asymmetric unit of the crystal contains six Runt domain subunits and four CBFβ subunits arranged as two dimers of Runt domain/CBFβ heterodimers (Runt domain/CBFβ)2, and, in addition, a Runt domain homodimer (FIG. 1). The molecules pack in alternate layers of heterodimers and homodimers. The final atomic model is most complete for the heterodimer CD, which includes residues 54-177 of AML1 (all the residues from the conserved Runt domain apart from the N-terminal 2 amino acids), and residues 2-135 from the CBFβ subunit. Residues 178-183 C-terminal to the Runt domain are disordered, as are residues 75-80 from CBFβ, and are not included in the model. 121 water molecules are also included in the model. The Runt domain homodimer QR (FIG. 1) has an indication of density at the interfaces where CBFβ binds in the heterodimers, but attempts to fit the CBFβ model into the density resulted in a higher R factor. This may represent partial occupancy by CBFβ subunits. The formation of (Runt domain/CBFβ)2 dimers of heterodimers mediated by interactions between the amino-terminal residues in two Runt domains in two different crystal forms (P21 and P62 symmetry) and in 3 independent examples in the asymmetric unit of each crystal form is observed. Gel filtration studies (data not shown) are also consistent with the formation of (Runt domain/CBFβ)2 dimers in solution. These data suggest that the formation of (Runt domain/CBFβ)2 dimers is not a consequence of crystal packing, but reflects homodimerisation of the Runt domain/CBFβ complex in solution.

Overall Structure of the Runt Domain/CBFβ Heterodimeric Complex

[0143] The overall structure of the (Runt domain/CBFβ)2 dimer of heterodimers is shown in FIG. 2. Although the fold of the individual subunits of the complex are consistent with recent NMR studies (Berardi et al., 1999) (Goger et al., 1999; Nagata et al., 1999) (Huang et al., 1999), specific regions of the Runt domain differ in conformation (discussed later). The Runt domain of AML1 forms a twelve-stranded (10 antiparallel and 2 parallel strands) β-barrel which adopts an s-type immunoglobulin fold. CBFβ is a mixed α/β structure, consisting of a partly open six-stranded β-barrel with α-helices packed against the top and bottom. Although structural comparisons with the DALI database show that the β-barrel component of CBFβ has overall structural similarity to a number of functionally unrelated proteins, the fold is quite distinct, in contrast to an earlier claim (Goger et al., 1999), and is quite unrelated to the OB fold (Murzin et al., 1995). As classified in the SCOP protein structure database (Murzin et al., 1995), the OB fold consists of a 5-stranded β-barrel, with Greek key topology and a shear number of 8 or 10. By contrast, CBFβ forms a partly opened 6-stranded β-barrel with a unique combination of a meandering up and down topology of the β-strands and a shear number of 10. Consequently, this particular β-barrel structure can be classified as a novel fold from the distinct combination of topology and shear number. FIGS. 2D and E show the secondary structure elements of the Runt domain and CBFβ aligned at the top of the protein sequences.

[0144] There are extensive heterodimeric contacts at the interface between the Runt domain and CBFβ subunits, and homodimeric contacts between the amino termini of the Runt domains, but no contacts between the CBFβ subunits. The temperature factors for the (Runt domain/CBFβ)2 structure are lowest for the Runt domain, and are relatively higher overall within the CBFβ subunit. This indicates that structurally, the Runt domain forms a relatively stable core, whereas the CBFβ subunit is more mobile.

[0145] The overall dimensions of a single Runt domain/CBFβ heterodimer are around 41×50×27 Å. There are no significant differences in the root mean square deviation (rmsd) of the Cα backbone traces between the four Runt domain/CBFβ heterodimers in the asymmetric unit of the crystal. As shown in FIG. 3, the Runt domain and CBFβ are oriented such that the long axes of the two β-barrel domains are orthogonal to one another to one another, and interact along a large continuous curved interface. When viewed from the perspective of FIG. 3B, with the C-terminus of the Runt domain oriented down, it is evident that CBFβ is related only to the upper part of the Runt β-barrel. CBFβ makes no direct contact with Runt domain loops βA-B, βE′-F or the C-terminus. Residues within these loops have been shown biochemically to be essential for DNA binding (Kagoshima et al., 1996) (Osato et al., 1999). The α-helices H5, H1 and H2 of CBFβ lie on the right lateral aspect of the upper half of the Runt β-barrel, and helix H3 lies on the upper left lateral aspect (FIG. 3B).

[0146] The data from the crystal structure differs from previous proposals for the mode of interaction between the Runt domain and CBFβ, based on chemical shift analysis (Nagata et al., 1999). The chemical shift data is interpreted by orienting CBFβ in the heterodimer with helices H1, H2 and H5 up, and helix H3 down, placing CBFβ residues Gln 74, Gln 79 and Arg 83 on the same face of the heterodimer as the proposed DNA binding surface of the Runt domain (loops βA-B and βE′-F and the C-terminus). In fact, the crystal structure demonstrates that the CBFβ is rotated by 90° relative to this proposal, placing the evolutionarily non-conserved CBFβ loop β3-β4 (residues 68-93) on the upper outer aspect of the heterodimer (FIG. 3B), with no component residues either buried in the heterodimer interface, or related to the proposed DNA binding surface of the molecule.

[0147] The conformation of the C-terminus of the Runt domain (residues 169-177), which is essential for DNA binding, is clearly defined in the crystal structure. The C-terminus shows no evidence of secondary structure, but forms a loop which extends towards the N-terminus of the Runt domain, passing below loop βA′-B (in the orientation seen in FIG. 3B). The C-terminus is not defined beyond residue 168 in the NMR structure from Nagata et al. (Nagata et al., 1999). All the loops on the lower face of the Runt domain β-barrel, as orientated in FIG. 3B (βC-D, βE′-F, the C-terminus and βA′-B), are linked to one another and are well buttressed on one side as a result of the interaction of loop βC-D with CBFβ. The C-terminus is stabilised through interactions between the flanking loops βE′-F and βA′-B. Strands βG′ and βA′ form a small parallel β-sheet, linking loop βA′-B to the C-terminus. The carbonyl of Ser 140 links loop βE′-F to Ile 168 in strand βG′ through an apparent hydrogen bond. Runt domain loop βE′-F Ser 145 interacts with loop βC-D Asp 110, thus linking the four loops on this face of the molecule. Runt domain loop βC-D, which has not been implicated in DNA binding, makes a number of contacts with CBFβ through the side chain of Tyr 113. Finally, the three Cys residues in CBFβ (Cys 25, Cys 107 and Cys 124) are not related to the heterodimer interface as proposed (Huang et al., 1999), suggesting that these residues are not directly related to the modulation of oxidation state-dependent behaviour of AML1.

[0148] Interactions at the Runt Domain-CBFβ Interface

[0149] The Runt domain and CBFβ subunits interact over a large continuous curved interface (FIG. 3), such that a total of 1900 Å2 (calculated as described (Nicholls et al., 1991)) in solvent accessible surface area is buried. The interaction surface of the Runt domain is concave, and packs against a complementary convex surface on CBFβ. The curved heterodimerisation surface of the Runt domain shown in FIG. 3 involves loops βF-G, βO-A and βB-C at the top of the β-barrel; a three-stranded β-sheet (strands βC, βF and βG); and loop βC-D at the bottom of the β-barrel. The regions of CBFβ involved in heterodimerisation are the amino-terminal loop and helix II1; strand β1 and loop β1-H3; strands β2, β3 and the connecting loop β2-β3, which together form the central convex interaction surface; strand β4 and the proximal part of loop β4-β5.

[0150] The specific residues from CBFβ which make up the heterodimer interface are given in Table 2. The residues on the surface of CBFβ which are buried in the Runt domain at the interface, may be defined by the programme GRASP Nicholls et al., 1991). Of the 21 residues indicated by such a procedure, only 2 are not conserved between human CBFβ and the two related Drosophila proteins Brother and Big brother. 13 residues out of 21 are absolutely conserved, and 6 are conservative substitutions (FIG. 2E).

[0151] The Runt domain-CBFβ interaction involves the N-terminus of CBFβ (residues 2-5). The Runt domain loop βO-A, loop βB-C and strand βG are all involved in contacts with the N-terminus of CBFβ, with four potential hydrogen bonding interactions mediated by CBFβ Arg 3 (Table 2). This explains mutagenesis studies which demonstrate a requirement for the N-terminal 5-6 residues of CBFβ for heterodimerisation to the Runt domain (Golling et al., 1996) (Kagoshima et al., 1996), and is consistent with chemical shift data from Huang et al. (Huang et al., 1999). Goger et al. (Goger et al., 1999) note significant chemical shifts for Gln 74, Gln 79 and Arg 83 on binding of a Runt domain-DNA complex to CBFβ, but the crystal structure demonstrates that this is not a result of burying these residues at the heterodimer interface, and that they do not come to lie proximal to the putative DNA binding loops βE′-F or βA′-B of the Runt domain.

[0152] The contacts mediated by residues in the Runt domain at the heterodimer interface are also shown in Table 2. The residues on the surface of the Runt domain which are buried in the CBFβ subunit may again be defined by the programme GRASP (Nicholls et al., 1991). Two thirds of the residues identified by the programme are either fully conserved or conservatively substituted (FIG. 2E). Structurally, Cis-Pro 156, which is absolutely conserved, induces a kink in Runt domain loop βF-G, which makes important contacts with residues in CBFβ. The Runt domain strand βG (residues 159-161) pairs with CBFβ strand β4 (residues 102-104) to form a short antiparallel β-sheet extension. The β-sheet extension between the two subunits is stabilised by a cluster of conserved hydrophobic residues (Runt domain Val 159 and Thr 161; CBFβ Met 101, Ile 102 and Leu 103β. The sequence conservation in this region supports an important underlying function. Runt domain loop βF-G and strand βG are structurally homologous to the region of NFAT which interacts with AP1 in the crystal structure of this complex bound to DNA (Chen et al., 1998). Thus, analogous regions of other Ig fold proteins are involved in protein-protein interactions. At the opposite end of the heterodimer interface, Runt domain Ser 114 and Tyr 113 provide a large surface area of interaction with CBFβ. These residues lie in a solvent accessible polar environment, consistent with previous spectroscopic analysis (Crute et al., 1996). CBFβ residues Glu 111 and Asp 110 also contribute to this polar environment. Runt domain Met 106 makes a significant contribution to the buried surface area in the central part of the heterodimer interface. The functional importance of this residue to the interaction is supported by biochemical studies, which demonstrate that a M106V mutation abolishes the interaction between AML1 and CBFβ in vitro (Akamatsu et al., 1997b).

[0153] Out a total of 42 contacts between the two subunits, 10 represent potential hydrogen bonding interactions. Bridging contacts are also mediated indirectly via water molecules near the interface. We have identified 8 water molecules buried at the heterodimer interface, the role of which is presumably to optimise the complementarity of the interaction interfaces. The surface residues of the Runt domain identified as buried in CBFβ at the heterodimer interface is generally consistent with the chemical shift data of Nagata et al. (Nagata et al., 1999).

[0154] Homodimer Interface of the Runt Domains

[0155] The crystal structure identifies two homodimeric interactions between the Runt domains, one interface between the Runt domains in the dimer of heterodimers, and a smaller interface involving a subset of these interactions within the homodimer QR (890 Å2 solvent accessible surface area buried as opposed to 1300 Å2; determined using GRASP (Nicholls et al., 1991)). The interfaces are shown in FIG. 2. The N-terminal residues (59-66) make the most prominent contribution to this interface, stabilised further by contacts between strands βA and βB, and from loops βB-C and βC′-E.

[0156] The residues buried in the homodimer interface may be identified using the GRASP programme. Runt domain Asp 66 contributes to both the heterodimer and homodimer interfaces. The homodimeric interaction in the dimer of heterodimers is mediated by a short edge to edge anti-parallel β-sheet formed from the pairing of residues 60-62 at the amino-terminal end of the Runt domain, which is stabilised by a hydrophobic cluster involving Pro 59, Leu 62, Val 63, Leu 71, Val 92, and Leu 94 from each subunit. The hydrophobic core of the interface shows strong sequence conservation (FIG. 2D). Four potential hydrogen bonding interactions also contribute to this interface, in addition to those mediating the β-sheet interaction. Superposition of the Q:R homodimer onto C:A (FIG. 4) demonstrates that the R subunit in the Q:R homodimer is relatively rotated and tilted away from the contact interface with respect to the A:C dimer. This suggests that there is flexibility between the RHD surfaces at the homodimer interface.

[0157] Electrostatic Surface Potential of the Runt Domain/CBFβ Heterodimer

[0158] There are two contrasting surfaces on the heterodimer in terms of the electrostatic surface potential. A strongly basic surface corresponds to the position of loops βA-B, βE′-F and the C-terminus. This supports the biochemical and human mutation data which directly implicate these regions of the Runt domain in DNA binding. In contrast, rotation by 145° from this region reveals a strikingly acidic surface, corresponding to the upper outer surface of CBFβ. Five areas on the surface of CBFβ make up this charged surface: the end of strand β6 and the residues prior to helix H5; residues in loop β3-β4; the β5-β6 loop; strand β1; and helix H1. The majority of these residues are conserved in evolution (FIG. 2E), suggesting that they are functionally important.

[0159] Conformational Differences between the Runt Domain Bound to DNA and Bound to CBFβ

[0160] Interaction with CBFβ is essential for the in vivo function of AML1 (Sasaki et al., 1996) (Wang et al., 1996b) (Wang et al., 1996a). Biochemically, CBFβ decreases the dissociation constant (Kd) of the isolated Runt domain for its cognate DNA-binding site 5-10 fold (Kagoshima et al., 1996). The molecular basis for this enhanced DNA binding affinity of the Runt domain in the presence of CBFβ is not clear. The availability of structures of the Runt domain/CBFβ binary complex (this work) and the coordinates for the NMR structures of the Runt domain (performed in the presence of DNA) (Nagata et al., 1999) and the bundle of NMR structures of the uncomplexed CBFβ subunit (Huang et al., 1999) (Goger et al., 1999) this issue to be addressed.

[0161] No significant differences in the crystal structure of CBFβ were found with respect to available NMR coordinates (Huang et al., 1999) (Goger et al., 1999) (PDB codes 2jhb and 1c13), apart from the disorder in the flexible non-conserved loop β3-β4 (residues 75-80) in the heterodimer. The coordinate precision is high (0.59 Å2) for the backbone residues of the bundle of Runt domain NMR structures (residues 62-170) for which coordinates are available (PDB code lcmo). The Cα traces for the structures of the CBFβ- and DNA-bound forms of the Runt domain superimpose well for the most part (FIG. 5A). In the region of the putative DNA binding loops, however, the structures differ significantly. In the Runt domain-CBFβ complex, the C-terminal residues of the Runt domain are ordered, defining the conformation of this essential DNA binding region. The small parallel β-sheet (βA′-βG′) linking Runt domain loop βA′-B and the C-terminus is shifted significantly towards the βE′-F loop. The conformation in the crystal structure is stabilised by the potential main chain hydrogen bonding interactions between loop βE′-F (Arg 139 and Gly 141) and the Runt domain C-terminus (Ile 168). Cys 81 forms potential hydrogen bonding interactions linking loop βA′-B (Cys 81) to strand βG′ (Thr 169) and to strand βE′ (Val 137), following a shift of 7.2 Å in its position (the largest change in relative position of any Cα). This change in chemical environment would be expected to alter the susceptibility of Cys 81 to oxidation. It has been proposed that the oxidation state of Runt domain Cys 81 may be modulated as a result of CBFβ-induced conformational changes (Akarnatsu et al., 1997a), and the structural data from the crystal supports this hypothesis. In the NMR structure, Runt domain loops βC-D and βE′-F are more closely related, with potential hydrogen bonding interactions between Asp 110 (loop βC-D) and Ser 145 (loop βE′-F) not evident in the CBFβ-Runt domain complex. To accommodate the movement of the βA′-βG′ sheet, there is a bulge in the main chain conformation from residues 85-89 (Pro 86 is shifted by 5.9 Å), and an upward kink at Ala 165 (shifted by 6.5 Å), relative to the NMR structure. The kink at Ala 165 is stabilised by main chain potential hydrogen bonding with Tyr 162. Tyr 162 projects into the hydrophobic core of the molecule, but the residues immediately adjacent (Thr 161 and His 163) are buried in the CBFβ subunit at the heterodimer interface, suggesting the possibility of induced conformational change transmitted from the heterodimer interface by stabilisation of the orientation of the Tyr 162 side chain. In addition, there is a change in the conformation of the Runt domain βF-G loop (residues 153-159), which is twisted through a 90° angle in the crystal structure, resulting in displacement of Pro 156 by 6.15 Å relative to its position in the NMR structures. As discussed above, this region of the Runt domain forms extensive contacts with CBFβ. These comparisons demonstrate ordering of the C-terminus of the Runt domain in the presence of CBFβ and conformational flexibility within the Runt domain which can alter the relative orientation of a specific DNA-binding subdomain. This suggests that the promotion of a specific conformation of the AML1 Runt domain DNA-binding surface on binding to CBFβ may provide one mechanism for enhanced DNA binding by the Runt domain-CBFβ complex.

[0162] Results 2 Mapping of Known Mutations to the Structure

[0163] Mutations in Cleidocranial Dysplasia Map to Heterodimer Interface

[0164] Congenital point mutations within the Runt domain of AML1 and AML3 have been attributed to the pathogenesis of congenital familial platelet disorder which progresses to acute myeloid leukaemia (AML1) (Song et al., 1999), and to a disorder of osteogenesis, cleidocranial dysplasia (AML3) (Lee et al., 1997) (Mundlos et al., 1997). Somatic mutations in AML1 have also been demonstrated in acute leukaemia (Osato et al., 1999). The majority of point mutations involve residues directly implicated in DNA binding, but recently described missense mutations associated with skeletal dysgenesis map to the heterodimer interface (Zhou et al., 1999) (Quack et al., 1999) (FIG. 7A).

[0165] Three mutations affect residues identified in the crystal structure as buried at the heterodimer interface: T149A, Q158R and S67R (FIG. 6A and Table 2), and map to the Runt domain strands βF, strand βG and loop βO-A respectively. The T149A mutation is associated with variable expressivity in a single family, ranging from classical CCD, to dental anomalies alone, while the Q158R and S67R mutations are associated with classical CCD (Zhou et al., 1999). The T149A mutation would be expected to disrupt a potential salt bridge with CBFβ Asn 63. Q158 interacts with CBFβ, but also stabilises the conformation of Runt domain loops βO-A and βF-G through potential salt bridges. The Q158L mutation in vitro results in impairment of DNA binding and loss of heterodimerisation (Lenny et al., 1995). Q158R would also be expected to disrupt potential salt bridges. These mutations demonstrate that the conformation of Runt domain loops βF-G and βO-A is crucial both for interaction with CBFβ and for DNA binding, despite being located on the opposite face of the β-barrel to the putative DNA binding surface.

[0166] The crystal structure defines the conformation of the Runt domain C-terminus, which is essential for nuclear localisation and DNA binding (Quack et al., 1999) (Kagoshima et al., 1996) (Osato et al., 1999). Mapping mutations associated with FDP, AML and CCD onto the structure clearly delineates the potential DNA binding surface (FIG. 7A). One of the mutations described in FPD, R139Q, which is also described in CCD, has indeed been shown to confer loss of function in vitro (Zhou et al., 1999). Arg 174 is the residue most frequently affected by mutation in the AML3 Runt domain in a recent CCD study (Quack et al., 1999), which also demonstrated that the mutation R174Q abolishes DNA binding in vitro, and that R174Q and R174W disrupt the function of the nuclear localisation signal in accumulating AML3 in the nucleus.

[0167] The structure of the heterodimer interface is consistent with the in vitro Runt domain mutants M106V, G108R and N109D, which show loss of heterodimerisation but preservation of DNA binding activity. Mutations in the Runt domain residues 66-69 located on the βO-A loop, also abolish heterodimerisation. Recent in vivo experiments in Drosophila demonstrated that the G108R Runt protein mutant is also dysfunctional in several in vivo assays, showing that the interaction of Runt with the CBFβ homologues Brother and Big brother is essential in vivo for the function of the core binding factor complex.

[0168] Results 3 Homology Modelling with Other Transcription Factors

[0169] The structural homology of the AML1Runt domain to transcription factors p53, NF-κB p52, NF-κB p65, NFAT1, the T-domain and the STAT proteins has been noted (Nagata et al., 1999) (Berardi et al., 1999). The coordinates from the crystal structure are used to search the protein database using the Dali server, and this showed that Runt domain is most closely related to the transcription factor STAT3β. Structural alignment of the Runt domain with STAT3β gives an rmsd of 2.1 Å over 82 residues (see FIG. 2C). The structural homology is prominent even within the loop regions of the Runt domain, most strikingly within the C-terminus. The smaller size of the Runt domain DNA-binding module is related to the shorter length of the putative DNA binding loops. Loops analogous to Runt domain loop βA-B which are found in the five other related transcription factors, mediate important DNA contacts in the major groove. NMR studies have demonstrated NOEs from Runt domain Arg 80 in the βA-B loop to the DNA (Nagata et al., 1999), and the mutation R80C abolishes DNA binding (Osato et al., 1999). The residues in STAT3β structurally equivalent to Runt domain Arg 80, Lys 83 and Thr 84 mediate DNA binding contacts. Runt domain Arg 80 has structural equivalents in the analogous βA-B loops of NF-βB and NFAT1 which make direct contacts with the DNA. Although the Runt domain is closely related to STAT3β structurally, there is no evidence that the mode of DNA binding is other than monomeric (Ogawa et al., 1993a).

[0170] Results 4 Modelled Structure of the AML1 DNA Binding Site

[0171] The crystal structure may be used to generate a model for major groove DNA binding by the Runt domain/CBFβ heterodimer, by least squares superposition of the coordinates of the STAT3β/DNA (PDB code 1bgl) co-crystal complex onto the AML1 Runt domain (FIG. 6B). In this model, the orientation of the Runt domain/CBFβ complex with respect to the DNA is consistent with other data: the location of human disease mutations (FIG. 6A); the electrostatic surface potential of the heterodimer; in vitro mutagenesis data (Kagoshima et al., 1996) (Lenny et al., 1995) (Osato et al., 1999); chemical footprinting analysis (Thomell et al., 1988) (Melnikova et al., 1993); limited NOE data from NMR studies (Nagata et al., 1999); and the observations that CBFβ does not contact DNA directly, or extend the Runt domain footprint on DNA (Kamachi et al., 1990). Three loops from the Runt domain β-barrel are predicted to make close contacts with the DNA, from the model. The βA-B loop and the C-terminus are predicted to participate in core sequence recognition in the major groove. The conformation of the C-terminus, which interacts with loop βA-B through the small parallel β-sheet, is a conserved structural feature between the related Ig fold transcription factors. The model of the present invention predicts that loop βE′-F would make DNA backbone and minor groove contacts. The analogous segment in STAT3β is involved in DNA backbone interactions (Becker et al., 1998).

[0172] The S140N mutation abolishes DNA binding by the Runt domain (Lee et al., 1997). Ser 140 is a conserved residue which stabilises the conformation of the βE′-F loop through potential hydrogen bonding interactions within the βE′-F loop and mediates main chain interactions from loop βE′-F to the C-terminus. The S140N mutation is predicted to alter the potential hydrogen bonding interactions, and is predicted to have similar consequences to the in vitro mutant S140G, which abolishes both the DNA binding and heterodimerisation functions of the Runt domain (Akamatsu et al., 1997b). The mutation G138D (P. Femaux, personal communication), associated with AML, affects a residue just proximal to the critical βE′-F loop, introducing a charged side chain into the hydrophobic core of the molecule. Analogous mutations, which are predicted to alter the flexibility of the βE′-F loop, disrupt the DNA binding function of STAT3β and STAT6 (Becker et al., 1998). These data suggest that the degree of flexibility of the loops on the lower face of the Runt domain β-barrel is a critical determinant both of DNA-binding and heterodimerisation functions of the Runt domain. This suggests that an important mechanism through which CBFβ alters the DNA binding affinity of the Runt domain is by buttressing the DNA-binding loops and stabilising their conformation.

[0173] Berardi et al. have noted NOEs to DNA from Runt domain loop βF-G in their NMR studies (Berardi et al., 1999). However, in the crystal structure of the heterodimeric complex, residues on the surface of Runt domain loop βF-G (cis-Pro 156, Pro 157, Gln 158) are clearly buried within the CBFβ subunit (FIG. 4B, and Table 2). Runt domain loop βF-G and strand βG are structurally homologous to the region of NFAT which interacts with AP1 in the crystal structure of this complex bound to DNA (Chen et al., 1998), and the model of the present invention is compatible with existing footprinting data which demonstrates that the AML1/CBFβ complex protects about 10 base pairs of DNA (Thornell et al., 1988) . The model therefore suggests that the core binding factor heterodimer binds DNA through Runt domain loops βE′-F, βA′-B, and the C-terminus.

[0174] Example 5 Crystal Structure of Ternary Complex

[0175] A single AML1 Runt domain-CBFβ heterodimer binds to the major and minor grooves of the 10 base pair (bp) target oligonucleotide, making potential hydrogen bonding interactions to the bases and nucleotide backbone of the DNA (FIG. 7). Overall, the dimensions of the complex are around 50×62×24 Å. One face of the Runt domain immunoglobulin β-barrel binds to the DNA, but CBFβ makes no DNA contacts. The overall fold of the Runt domain-CBFβ heterodimer is consistent with our previous report (Warren et al., 2000), but two structural adaptations ensure that the Runt domain has an extended interaction with the DNA. The C-terminal ‘tail’ and the ‘wing’ of the Runt domain change conformation dramatically to clamp the DNA, which is itself significantly bent towards the protein within the consensus AML1 binding site.

[0176] AML1 Runt Domain

[0177] The Runt domain twelve-stranded β-barrel is orientated with the long axis perpendicular to the DNA helical axis (FIG. 7). All the structural elements that contact the DNA project from one face of the β-barrel. The Runt domain uses two loops, a β-sheet, a β-strand and the extended C-terminal ‘tail’ to contact DNA. The βA′-B loop (residues 81-89), the βA′-G′ sheet (βA′-residues 77-80; βG′-residues 166-169), the βE′ strand (residues 135-138) and the C-terminal ‘tail’ (residues 170-177) dock in the major groove and make contacts to the edges of the DNA base pairs and nucleotide backbone. The βE′-F loop (‘wing’) (residues 139-145) provides an arginine that fits into the minor groove. Residues from the β-A′-G′ sheet, the ‘tail’ and the ‘wing’ contact the nucleotide backbone that divides the major and minor grooves, forming a continuous surface which clamps around the DNA like the claw of a crab (FIG. 7C). The C-terminal ‘tail’ and the ‘wing’ significantly enhance the overall surface area of contact with the DNA in the major groove, burying a total of 1519 Å2 in solvent-accessible surface area (assuming default radii of GRASP and a 1.4 Å solvent probe) (Nicholls et al., 1991).

[0178] CBFβ

[0179] The structural model for CBFβ in the ternary Runt domain-CBFβ-DNA complex contains an additional short β-strand (residues Y85-D87), designated β3′ (FIG. 7B). Strand β3′ extends the antiparallel β-sheet formed by β-strands β4, β5 and β6 through hydrogen bonding interactions with strand β4 (residues K98-T96). Strand β340 was also present following further refinement of the Runt domain-CBFβ heterodimer data, but is found in a part of the structure associated with high temperature (B) factor values. A previous NMR study documents the presence of a 310-helix (H4) involving CBFβ residues R83-R90 (Werner et al., 1999). The differing secondary structures seen in these studies, and the associated high B factors, suggest that this region is conformationally flexible. Our current model for CBFβ comprises a seven-stranded β-barrel with four peripheral α-helices. CBFβ makes neither direct nor indirect contacts with the DNA (FIG. 7). However, CBFβ loop β2-3 projects down from the central part of the molecule to stack above Runt domain loop βC-D, which in turn packs against Runt domain loop βE′-F (FIG. 7B). Mutational analysis has demonstrated a critical energetic and functional role for CBFβ loop β2-3 in heterodimerisation with the Runt domain (Tang et al., 2000b).

[0180] DNA Conformation in the Complex

[0181] The two DNA duplexes (designated EF and GH) in the asymmetric unit of the crystal have nearly identical structures, with an all atom root mean square deviation (rmsd) of 0.171 (for 404 atoms). Table 2 lists various parameters describing the structure of DNA oligonucleotide EF. The DNA duplex adopts an overall B-DNA-like conformation, with slight underwinding (10.8 base pairs per turn), and an average helical rise of 3.27 Å, however, there are deviations from standard B-DNA geometry. The most striking is the marked inclination between base pairs G4-C5 (18.8 degrees), G7-T8 (18.5 degrees), and T9-G10 (17.3 degrees) on strand E. These base-pair steps have associated high roll values, resulting in significant bending of the DNA towards the protein (by about 40°). The major groove is wide (18.3 Å), and the minor groove is enlarged (13.4 Å) in the region of sequence-specific base contacts by the Runt domain. This type of DNA structure, which has been noted in other unrelated protein-DNA complexes, has been classified as a Beg-DNA (where eg means enlarged groove) subclass DNA (Nekludova and Pabo, 1994). Thus, the DNA conformation in the Runt-CBFβ-DNA complex shows similarities to the otherwise unrelated glucocorticoid, MetJ, engrailed, and Tramtrack protein-DNA complexes (Nekludova and Pabo, 1994), suggesting that the DNA itself plays an important role in the protein-DNA recognition.

[0182] Mechanism of DNA Recognition

[0183] Backbone Contacts

[0184] The Runt domain is anchored on either side of the major groove through direct and water-mediated contacts with the regions of the phosphate backbone that flank and partly overlap the core recognition sequence (FIG. 8). The network of interactions is essentially the same for both ternary complexes in the asymmetric unit, with the exception of T84, which makes water-mediated contacts to the phosphate backbone of DNA duplex GH only. The potential neutralising contacts with the phosphate groups lie on one face of the DNA helix, and involve consecutive phosphates on either side of the major groove. This may encourage DNA bending towards the protein surface as a result of phosphate neutralisation. At the 5′ end of the consensus-binding site, residues from strand βE′ (R135) and loop βA′-B (R83, T84) contact backbone nucleotides of DNA strand E (T2, T3 and G4) (FIG. 8A). Backbone nucleotides on the opposite DNA strand F (A2, A3, C4, C5), are contacted by residues from the ‘wing’ (R139, G141, R142, G143), strand βG′ (I168, T169) and the C-terminus (V170) (FIG. 8A). R142 from the ‘wing’ makes additional contacts to bases from both strands in the minor groove (strand E, base G10; strand F, base A2). The amino acid sequence between strands βE and βF contains the longest stretch of conserved sequence identity in the Runt domain, supporting a critical role for these residues in the DNA binding mechanism.

[0185] Base Pair Contacts

[0186] The two Runt domain-CBFβ heterodimers in the asymmetric unit show the same pattern of base-specific contacts (FIGS. 2A and B). The primary DNA binding specificity determinants localise to strand β-A′ (R80), and the C-terminal ‘tail’ (D171, R174 and R177). In particular, the side chain atoms NH1 and NH2 from R80 (strand βA′) form potential bidentate hydrogen bonding interactions with nitrogen N7 and the exocyclic oxygen 06, respectively, of base G4 (strand E). Two other interactions anchor the position of the R80 side chain and guarantee specificity. R80 (atom NE1) forms a potential hydrogen bond with the main chain carbonyl oxygen of V170 (FIG. 8B), and a potential water-mediated hydrogen bond (through atom NH1) to base G4 (backbone atom O1P) on strand E. The side chain of K83 makes a similar potential indirect backbone contact to base G4, further stabilising the position of the R80 side chain.

[0187] The Runt domain C-terminal ‘tail’ makes the most extensive set of base contacts. R174 (atoms NH1 and NH2) makes a potential bidentate hydrogen bond to atoms O6 and N7, respectively, of base G6 (strand E); R177 (side chain atoms NH1 and NH2) makes potential bidentate hydrogen bonds to atoms N7 and O6, respectively, of base G7 (strand E). D171 (side chain atoms OD1 and OD2) forms potential hydrogen bonding interactions with the two N4 nitrogen atoms on the complementary bases C4 and C5 (strand F). D171 also makes a potential water mediated contact to the O1P backbone atom of base C4 (strand F), and a stabilising potential salt bridge to R174 (side chain atom NH1). Thus, the orientation of the R174 and D171 side chains are precisely fixed by a buttressing network of hydrogen bonds, which further enhances the specificity of the DNA interaction.

[0188] DNA-induced Conformational Changes in the Runt Domain-CBFβ Complex

[0189] Overall, the Cα traces for the Runt domain-CBFβ-DNA ternary complex and the Runt domain-CBFβ heterodimer superimpose well, with an rmsd of 0.71 over 242 atoms (FIG. 9). However, this comparison reveals marked DNA-induced conformational changes in the βE′-F loop (‘wing’) and the C-terminal ‘tail’ of the Runt domain.

[0190] The most dramatic conformational change in the presence of DNA occurs within the extended C-terminal ‘tail’ that makes the majority of the sequence-specific DNA contacts. Beyond P173, the ‘tail’ undergoes a 180-degree rotation to align R174 and R177 with bases G6 and G7 (strand E), respectively. The extended ‘tail’ runs down through the major groove, showing striking surface complementarity to the DNA.

[0191] Within the ‘wing’, the most striking shift in the position of any Cα (7 Å) is the main chain nitrogen of residue G143, which forms a potential hydrogen bond to the nucleotide backbone of DNA strand F (base A3, atom O2P) in the ternary complex. The position of the R142 side chain also changes significantly, enabling it to make backbone and base contacts in the minor groove. The entropic cost of locking the Runt domain βE′-F loop into an alternate conformation may be offset by the formation of additional polar interactions by residues within the loop. This hypothesis is supported by the fact that the side chain of K144 (loop βE′-F), disordered in the absence of DNA, is clearly defined in the ternary complex. K144 makes potential salt bridges to the side chains of D110 and E111 (loop βC-D), thus bridging the ‘wing’ and the βC-D loop of the Runt domain (FIG. 9). Mutation analysis supports an important structural role for K144 (Lenny et al., 1995; Crute et al., 1996). A further novel potential hydrogen bond is formed between N109 (βC-D loop) and the carbonyl oxygen of S140 (βE′-F loop). Runt domain S140 (βE′-F loop) forms a novel potential hydrogen bond to the carbonyl oxygen of K144. Thus, S140 bridges Runt domain loops βC-D, βE′-F, and the parallel βA′-G′ sheet which makes base-specific contact to the DNA. The mutants S140G and N109D show loss of DNA binding and heterodimerisation, demonstrating the functional importance of these residues (Akamatsu et al., 1997).

[0192] The Kd for the CBFβ-Runt domain interaction in solution (5.2±1.2×10−7 M) is 10 fold higher than the Kd for the CBFβ interaction with the DNA-bound Runt domain (4.5±0.5×10−8 M) (Tang et al., 2000a). This suggests that one or both proteins undergo a conformational change when the heterodimer binds DNA. Comparison of the Runt domain-CBFβ-DNA complex with the Runt domain-CBFβ complex identifies local conformational changes between CBFβ loop β2-3 and Runt domain loop βC-D (FIG. 9). In particular, the bulky aromatic side chain of Y113 changes conformation, accommodated by reorientation of the side chain of CBFβ N63. As CBFβ loop β2-3 makes an important energetic and functional contribution to the heterodimer interface (Tang et al., 2000b), conformational change at this interface offers a possible explanation for the change in the free energy of interaction between CBFβ and the Runt domain in the presence and absence of DNA.

[0193] Mutational Analysis of DNA Contact Residues

[0194] Alanine residues were substituted for all the side chains implicated in contacting the DNA from the structural analysis. DNA binding was monitored using a yeast-one-hybrid assay. Substitution with alanine should remove interactions with DNA mediated by atoms beyond the β carbon of an amino acid side chain.

[0195] The mutant Runt domain proteins were assayed for their ability to interact with a high affinity consensus DNA binding site in a yeast one-hybrid assay. Mutant Runt domain proteins were expressed as fusions to the GAL4 activation domain. The plasmids expressing the fusion proteins were transformed into a yeast strain containing a lacZ reporter gene under the regulation of three tandem repeats of the high affinity binding site, and both filter and liquid β-galactosidase (β-gal) assays were performed (FIG. 10). Alanine substitution of all side chains directly contacting DNA bases or the nucleotide backbone in the structure (including R80, R135, R139, R142, K167, D171, R174, and R177), severely perturb DNA binding, reducing it to background levels in the yeast assays. Two side chains participating in water-mediated contacts, K83 and T169, were also sensitive to alanine substitution. Substitution of T84 with alanine did not affect DNA binding. However, the water-mediated contact by T84 to DNA was only observed in one of the two ternary complexes in the crystal.

[0196] The structural and mutational analysis provides a firm basis for understanding the determinants of DNA binding specificity in the AML1 Runt domain-CBFβ-DNA ternary complex and the molecular consequences of human disease mutations for the DNA binding function. The structure shows that the architecture of the DNA bound Runt domain-CBFβ complex is quite distinct from other members of the immunoglobulin superfamily of transcription factors, yet there is remarkable conservation of the base-specific contacts with the Rel group of transcription factors. Structural and functional similarities to p53 have implications for understanding the DNA binding mechanism of the Runt domain-CBFβ complex.

[0197] Residues Mutated in Human Disease Make Critical DNA Contacts

[0198] Acquired somatic mutations in the AML1 gene are described in patients with leukaemia and myelodysplasia, with a particularly high incidence of mutations in MoAML and myeloid malignancies with acquired trisomy 21 (Osato et al., 1999; Imai et al., 2000; Preudhomme et al., 2000). Congenital mutations in AML1 are described in individuals with FPD/AML, and in the related AML3 gene in the congenital disorder of osteogenesis, cleidocranial dysplasia (CCD) (Lee et al., 1997; Quack et al., 1999; Song et al., 1999; Zhou et al., 1999).

[0199] A key finding that emerges from the structure of the ternary complex is that most of the disease-associated missense mutations which map to the Runt domain affect residues involved in sequence-specific base interactions or nucleotide backbone contacts (FIG. 8B). Leukaemia-associated mutations target most of the residues which contact DNA in the structure: R80C, K83N, R135G, R139Q, D171G, R174Q, R174G, R177G, R177Q and R177ter (R177 mutated to a termination codon). All of these mutations would potentially disrupt critical hydrogen bonding interactions to the DNA nucleotide backbone (K83N, R135G, R139Q) or bases (R80C, D171G, R174Q, R174G, R177G, R177Q). Interestingly, R177ter and R177Q showed barely detectable DNA binding by themselves, but in the presence of CBFβ, they produced supershifted bands with markedly increased intensities (Osato et al., 1999). Restoration of significant DNA binding activity in these mutants in the presence of CBFβ may be explained by stabilisation of the DNA-induced conformational changes in loops βC-D and βE′-F.

[0200] R80C was identified in a patient with blast transformation of chronic myeloid leukaemia, and K83N in a patient with relapsed AML M3 (Osato et al., 1999). The R174Q mutation was reported in the context of FPD/AML, and R174 was the residue in AML3 (Runx2/CBFA1) that was most frequently affected by congenital mutations (including R174Q, R174W) in a study of patients with cleidocranial dysplasia (Quack et al., 1999; Song et al., 1999; Zhou et al., 1999). R135G, G138D and R171G were described in MoAML, while R139Q was reported in FPD/AML and cleidocranial dysplasia (Quack et al., 1999; Song et al., 1999; Zhou et al., 1999; Preudhomme et al., 2000). Although G138 (strand βE′) does not interact directly with the DNA, the G138D mutation would be expected to disrupt the conformation of the βE′-F and βC-D loops, thus disrupting binding.

[0201] Several other mutations are described in the context of CCD: K167N, F146S, M124R and S140N (Lee et al., 1997; Werner et al., 1999; Zhang et al., 2000). Loss of DNA binding by K167N is explained by disruption of a critical nucleotide backbone contact (FIG. 8). The mutations L148F, F146S and M124R would be expected to destabilise the overall fold of the Runt domain, as they affect residues projecting into the hydrophobic core of the structure. The structural role of S140 was discussed above.

[0202] In summary, the structural and mutational analysis of the AML1 Runt domain-CBFβ-DNA ternary complex clearly explains the molecular consequences of the human disease-associated mutations on DNA binding.

[0203] Rel-like DNA Contacts from the Extended Runt Domain C-terminal ‘Tail’

[0204] The AML1 Runt domain belongs to the Ig domain superfamily of transcription factors with closest structural homology to STAT3β (Warren et al., 2000). In common with the other members of the superfamily, the Runt domain contacts DNA using loops from a single face of the β-barrel core (FIG. 7). Thus, the βA′-B loop corresponds structurally and functionally to the AB recognition loop of NF-κB, the T domain of Brachyury, the STATs and p53. The AB loops all make major groove interactions via arginine side chains, and the relative orientation of the domains with respect to DNA is maintained. Moreover, the Runt domain βE′-F loop is analogous structurally and functionally to the E≧F loop of NFAT (Chen et al., 1998) and the L3 loop of p53 (Cho et al., 1994), which bridge across the DNA nucleotide backbone from the major to the minor groove to make base contacts.

[0205] However, the Runt domain has a distinctive variation in its DNA binding architecture. Most of the base contacts in the major groove are made from an unusual extended C-terminal ‘tail’ projecting from the core Ig β-barrel. By contrast, the p53 DNA binding domain (Cho et al., 1994) and Brachyury T domain (Müller and Herrmann, 1997) use C-terminal α-helical extensions to contact the major and minor grooves, respectively. The functional importance of residues within the Runt domain ‘tail’ for DNA recognition is demonstrated by alanine mutagenesis and the mapping of human disease-associated mutations to this region. Use of an extended ‘tail’ in the major groove enhances the area of accessible surface (1519 Å2) buried on DNA binding. This structural variation may maximise the surface area available to the DNA-bound Runt domain-CBFβ complex for protein-protein interaction in the context of a higher order transcription complex. Thus, the observed distortion and bending of the DNA observed in the Runt domain-CBFβ-DNA ternary complex may facilitate interaction with factors such as CREB/ATF, LEF1 and Ets-1 on the T cell receptor enhancer (Giese et al., 1995). The ability of the C-terminus and the βE′-F loop of the Runt domain to adopt alternate conformations may play a role in regulating the interaction of the full length AML1 protein with DNA and with other proteins.

[0206] Despite lack of sequence homology, and the use of different structural elements for sequence-specific DNA binding, the structure of the Runt domain-CBFβ-DNA complex reveals remarkable conservation of the specific base contacts used with the class II Rel family of proteins (FIG. 11). This family is typified by NF-κB p65, RelB and c-Rel, the malarial protein Gambif1, and the Drosophila Dorsal and Dif proteins, which, like AML1, all contain transcription activation domains and have important roles in development (Cramer et al., 1999). Three guanine bases (G4, G6 and G7) are conserved in all Runt domain DNA binding recognition sites identified (Thomell et al., 1988; Kamachi et al., 1990; Wang and Speck, 1992). The Rel protein family has a core GG element that is contacted by three conserved residues, two arginines and a glutamate, from the AB recognition loop of a Rel monomer. By contrast, the Runt domain contributes two conserved arginines and an aspartate from the C-terminal ‘tail’ to contact the core GG element (FIGS. 2 and 5), and uses a single arginine from the βA′ strand to contact the third upstream G base. Thus, the Runt domain-CBFβ-DNA structure reveals clear conservation in the DNA binding mechanism with the Rel family of proteins and raises further questions about the evolutionary relationships between the Ig domain superfamily of transcription factors.

[0207] Structural and Functional Similarities to p53

[0208] The structure of the AML1 Runt domain-CBFβ-DNA ternary complex suggests that Runt domain loops βC-D and βE′-F are analogous structurally and functionally to p53 loops L2 and L3 (Cho et al., 1994). The structurally analogous residues K144 (Runt domain) and R249 (p53) make salt bridge interactions between the two loops. R249S is a common transforming mutation, and appears to reduce the DNA binding affinity of p53 by decreasing the stability of protein folding (DeDecker, 2000). An analogous Runt domain mutation, K144M, impairs DNA binding, while K144R does not (Crute et al., 1996). Runt domain N109 and p53 R175 (a mutation hotspot) make similar bridging interactions between the same two loops and mutation disrupts DNA binding function. (Cho et al., 1994; Akamatsu et al., 1997). As Runt domain loops βC-D and βE′-F and the analogous L2 and L3 loops in p53, have little regular secondary structure, the lack of extensive hydrogen bonding interactions may be compensated by side chain to side chain and side chain to backbone interactions between the loops. By contrast with the Runt domain-CBFβ complex, a bound zinc atom in addition to salt bridge interactions links the analogous loops in p53. Additional stabilisation of the conformation of Runt domain loops βC-D and βE′-F may be provided by interaction with CBFβ, which lowers the binding constant for the interaction of the Runt domain with DNA.

[0209] In summary, these comparisons suggest that changes in the conformation of Runt domain loops βC-D and βE′-F have an important influence in modulating the affinity of the interaction between the Runt domain-CBFβ complex and DNA.

[0210] Consistency with Biochemical Data

[0211] The base pair and nucleotide backbone contacts demonstrated in the crystal structure of the ternary complex (FIG. 8A) account for most of the observed effects of chemical modifications on the DNA. The three conserved guanine bases G4, G6 and G7 (strand E) in the core site were demonstrated to be critical contacts for the binding of Runt domain proteins from methylation interference analyses (Thornell et al., 1988; Kamachi et al., 1990; Wang and Speck, 1992). Base pairs T3, C5 and T8 (strand E) are not in direct contact with protein, in agreement with the sequence variability of the DNA in natural target sites at these positions. The selection for pyrimidine residues at these positions may reflect ‘indirect’ preferences for bases that allow bending of the DNA, supported by the high degree of roll and the inclination observed at these base steps in the structure. The observed distortion and bending of the DNA is consistent with circular permutation analysis of the AML1-CBFβ-DNA complex (Golling et al., 1996). The equilibrium binding constants for the Runt domain-CBFβ-DNA interaction is high (in the range of 10−10 to 10−12 M), despite the fact that the Runt domain itself only binds DNA as a monomer. This may be explained by the large area of accessible surface (1519 Å2) that is buried upon complex formation, combined with the large number of direct base contacts observed in the structure (a total of 10).

[0212] These biochemical data are consistent with our structural and mutational analysis of the Runt domain-CBFβ-DNA ternary complex. All the critical side chain to DNA contacts identified in the structure are made by residues which are evolutionarily invariant in comparative sequence alignment of Runt domain proteins (Warren et al., 2000). This suggests that the DNA binding mechanism revealed by the AML1 Runt domain-CBFβ-DNA structure is general to the entire family of Runt domain proteins.

[0213] Various modifications and variations of the described methods and system of the invention will be apparent to those skilled in the art without departing from the scope and spirit of the invention. Although the invention has been described in connection with specific preferred embodiments, it should be understood that the invention as claimed should not be unduly limited to such specific embodiments. Indeed, various modifications of the described modes for carrying out the invention which are obvious to those skilled in chemistry or biology or related fields are intended to be covered by the present invention. All publications mentioned in the present specification are herein incorporated by reference.

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[0264] Mundlos, S., Otto, F., Mundlos, C., Mulliken, J. B., Aylsworth, A. S., Albright, S., Lindhout, D., Cole, W. G., Henn, W., Knoll, J. H., Owen, M. J., Mertelsmann, R, Zabel, B. U. and Olsen, B. R. (1997) Mutations involving the transcription factor CBFA1 cause cleidocranial dysplasia Cell 89, 773-9.

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[0272] Ogawa, E., Maruyama, M., Kagoshima, H., Inuzuka, M., Lu, J., Satake, M., Shigesada, K. and Ito, Y. (1993b) PEBP2/PEA2 represents a family of transcription factors homologous to the products of the Drosophila runt gene and the human AML1 gene Proc Natl Acad Sci USA 90, 6859-63.

[0273] Okuda, T., van Deursen, J., Hiebert, S. W., Grosveld, G. and Downing, J. R. (1996) AML1, the target of multiple chromosomal translocations in human leukaemia, is essential for normal fetal liver hematopoiesis Cell 84, 321-30.

[0274] Osato, M., Asou, N., Abdalla, E., Hoshino, K., Yamasaki, H., Okubo, T., Suzushima, H., Takatsuki, K., Kanno, T., Shigesada, K. and Ito, Y. (1999) Biallelic and heterozygous point mutations in the Runt domain of the AML1/PEBP2αB gene associated with myeloblastic leukaemias Blood 93, 1817-24.

[0275] Otto, F., Thornell, A. P., Crompton, T., Denzel, A., Gilmour, K. C., Rosewell, I. R., Stamp, G. W., Beddington, R. S., Mundlos, S., Olsen, B. R., Selby, P. B. and Owen, M. J. (1997) Cbfa1, a candidate gene for cleidocranial dysplasia syndrome, is essential for osteoblast differentiation and bone development Cell 89, 765-71.

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SEQUENCES

SEQ ID NO: 1

[0304] AML1 (residues 50-178)

[0305] SMVEVLADHPGELVRTDSPNFLCSVLPTHWRCNKTLPIAFKVVALGDVPDGTLVTVMAGNDENYSAELRNATAAMKNQVARFNDLRFVGRSGRGKSFTLTITVFTNPPQVATYHRAIKITVDGPREPRR

SEQ ID NO: 2

[0306] CBFβ (Residues 1-135)

[0307] MPRVVPDQRSKFENEEFFRKLSRECEIKYTGFRDRPHEERQARFQNACRDGRSEIAFVATGTNLSLQFFPASWQGEQRQTPSREYVDLEREAGKVYLKAPMILNGVCVIWKGWIDLQRLDGMGCLEFDEERAQQE

1TABLE 1Data collection, structure determination and refinement statisticsData collection and MIR phasing statisticsResolutionObservations/CompletnessRmerge1Data set(Å)unique reflections(last shell) %(last shell)Se-Met λ13.278580/6050988.9(84.1)0.047(0.15)Se-Met λ23.286114/6342492.8(85.4)0.066(0.25)Native2.6259515/71198 99.3(99.2)0.084(0.28)Structure refinement statisticsResolutionProteinRfree2r.m.s.d. from ideality3(Å)atomsWatersRcryst2(% data)bondsanglesdihedral25.0-2.6955112126.4629.490.00721.392124.76used)31Rmerge = ΣhklΣi|Ii(hkl) − <I(hkl)>|/ΣhklΣi Ii(hkl) 2Rcryst and Rfree = Σ|Fobs − Fcalc|/ΣFobs; Rfree calculated with the percentage of the data shown in parentheses 3r.m.s. deviations for bond angles and lengths in regard to Engh & Huber parameters.

[0308]

2

TABLE 2

Interactions between the AML1 Runt domain and CBFb

Runt domain
CBFb

Residue
Location
Residue
Location

Asp 66
loop bO-A
Lys 11
helix H1

Asp 66
loop bO-A
Asn 104
loop b4-b5

Ser 67
loop bO-A
Asn 104
loop b4-b5

Pro68*
loop bO-A
Arg 3
N-terminal loop

Pro68
loop bO-A
Val 4
N-terminal loop

Pro68
loop bO-A
Val 5
N-terminal loop

Pro68
loop bO-A
Asn 104
loop b4-b5

Pro68
loop bO-A
Gly 105
loop b4-b5

Asn 69*
loop bO-A
Arg 3
N-terminal loop

Leu 94*
loop bB-C
Arg 3
N-terminal loop

Met 106
strand bC
Glu 54
strand b2

Met 106
strand bC
Asn 63
strand b3

Met 106
strand bC
Leu 64
strand b3

Met 106
strand bC
Ser 65
strand b3

Asn 109
strand bC
Gly 61
loop b2-b3

Tyr 113
loop bC-D
Lys 28
strand b1

Tyr 113
loop bC-D
Thr 30
strand b1

Tyr 113
loop bC-D
Arg 33
loop b1-helix H3

Tyr 113*
loop bC-D
Val 58
strand b2

Tyr 113
loop bC-D
Asn 63
strand b3

Ser 114
strand bD
Thr 30
strand b1

Ser 114*
strand bD
Asn 63
strand b3

Thr 149*
strand bF
Asn 63
strand b3

Phe 153
loop bF-G
Ser 65
strand b3

Phe 153
loop bF-G
Gln 67
strand b3

CPR 156
loop bF-G
Pro 100
strand b4

CPR 156
loop bF-G
Met 101
strand b4

Pro 157
loop bF-G
Gln 67
strand b3

Pro 157
loop bF-G
Pro 100
strand b4

Pro 157
loop bF-G
Met 101
strand b4

Pro 157*
loop bF-G
Ile 102
strand b4

Gln 158
strand bG
Pro 2
N-terminal loop

Gln 158*
strand bG
Arg 3
N-terminal loop

Gln 158
strand bG
Ile 102
strand b4

Val 159
strand bG
Leu 64
strand b3

Val 159
strand bG
Met 101
strand b4

Val 159*
strand bG
Ile 102
strand b4

Val 159
strand bG
Leu 103
loop b4-b5

Val 159*
strand bG
Asn 104
loop b4-b5

Ala 160
strand bG
Asn 104
loop b4-b5

Thr 161*
strand bG
Asn 104
loop b4-b5

His 163
strand bG
Phe 17
helix H2

*Indicates potential hydrogen bonding interactions. Pairwise interactions were identified in CNS REF

[0309]

3

TABLE 3

REMARK coordinates from restrained individual B-factor refinement

REMARK refinement resolution: 500.0-2.6 A

REMARK starting r = 0.2677 free_r = 0.2973

REMARK final r = 0.2646 free_r = 0.2949

REMARK B rmsd for bonded mainchain atoms = 1.992 target = 1.5

REMARK B rmsd for bonded sidechain atoms = 3.077 target = 2.0

REMARK B rmsd for angle mainchain atoms = 3.299 target = 2.0

REMARK B rmsd for angle sidechain atoms = 4.527 target = 2.5

REMARK wa = 2.84177

REMARK rweight = 5.800572E−02

REMARK target = mlf steps = 60

REMARK sg = P2 (1) a = 103.259 b = 79.383 c = 130.101 alpha = 90

beta = 101.388 gamma = 90

REMARK parameter file 1: CNS_TOPPAR: protein_rep.param

REMARK parameter file 2: CNS_TOPPAR: water_rep.param

REMARK molecular structure file: aml.mtf

REMARK input coordinates: aml_minimize.pdb

REMARK reflection file = gw10_2.6_free.hkl

REMARK ncs = none

REMARK B-correction resolution: 6.0-2.6

REMARK initial B-factor correction applied to fobs:

REMARK B11 = 8.510 B22 = −4.214 B33 = −4.296

REMARK B12 = 0.000 B13 = −1.074 B23 = 0.000

REMARK B-factor correction applied to coordinate array B: −0.259

REMARK bulk solvent: density level = 0.354179 e/A{circumflex over ( )}3, B-factor = 41.3786 A{circumflex over ( )}2

REMARK reflections with |Fobs|/sigma_F < 0.0 rejected

REMARK reflections with |Fobs| > 10000 * rms (Fobs) rejected

REMARK theoretical total number of refl. in resol. range: 63790 (100.0%)

REMARK number of unobserved reflections (no entry or |F|=0): 467 (0.7%)

REMARK number of reflections rejected: 0 (0.0%)

REMARK total number of reflections used: 63323 (99.3%)

REMARK number of reflections in working set: 61418 (96.3%)

REMARK number of reflections in test set: 1905 (3.0%)

CRYST1 103.259 79.383 130.101 90.00 101.39 90.00 P 21

REMARK

FILENAME = “/pnac1/jero/ajw/refi/cns/A2R/A2R_edited/am1_bindividual.pdb”

REMARK DATE: 10-Nov-99 13:15:23 created by user: root

REMARK VERSION: 0.9a

ATOM
1950
CB
ALA
C
54
−9.503
20.880
39.829
1.00
96.49
C

ATOM
1951
C
ALA
C
54
−10.892
22.616
38.661
1.00
96.43
C

ATOM
1952
O
ALA
C
54
−10.702
23.768
39.052
1.00
97.28
C

ATOM
1953
N
ALA
C
54
−8.455
22.357
38.148
1.00
96.12
C

ATOM
1954
CA
ALA
C
54
−9.714
21.643
38.522
1.00
96.83
C

ATOM
1955
N
ALA
C
55
−12.097
22.139
38.340
1.00
95.69
C

ATOM
1956
CA
ALA
C
55
−13.332
22.935
38.405
1.00
95.09
C

ATOM
1957
CB
ALA
C
55
−14.501
22.042
38.834
1.00
93.93
C

ATOM
1958
C
ALA
C
55
−13.248
24.157
39.322
1.00
94.44
C

ATOM
1959
O
ALA
C
55
−13.473
25.291
38.884
1.00
93.92
C

ATOM
1960
N
ALA
C
56
−12.935
23.915
40.594
1.00
94.26
C

ATOM
1961
CA
ALA
C
56
−12.800
24.979
41.588
1.00
93.06
C

ATOM
1962
CB
ALA
C
56
−11.815
26.042
41.080
1.00
92.96
C

ATOM
1963
C
ALA
C
56
−14.142
25.625
41.955
1.00
91.87
C

ATOM
1964
O
ALA
C
56
−14.760
26.312
41.134
1.00
92.62
C

ATOM
1965
N
ALA
C
57
−14.568
25.396
43.200
1.00
88.52
C

ATOM
1966
CA
ALA
C
57
−15.824
25.915
43.753
1.00
84.71
C

ATOM
1967
CB
ALA
C
57
−16.975
25.711
42.758
1.00
84.53
C

ATOM
1968
C
ALA
C
57
−16.107
25.136
45.038
1.00
82.38
C

ATOM
1969
O
ALA
C
57
−15.191
24.531
45.601
1.00
82.34
C

ATOM
1970
N
ALA
C
58
−17.365
25.171
45.494
1.00
77.91
C

ATOM
1971
CA
ALA
C
58
−17.833
24.447
46.688
1.00
73.46
C

ATOM
1972
CB
ALA
C
58
−16.965
23.195
46.937
1.00
72.77
C

ATOM
1973
C
ALA
C
58
−18.036
25.199
48.014
1.00
70.73
C

ATOM
1974
O
ALA
C
58
−18.837
24.761
48.839
1.00
72.41
C

ATOM
1975
N
PRO
C
59
−17.310
26.309
48.261
1.00
66.88
C

ATOM
1976
CD
PRO
C
59
−16.111
26.872
47.619
1.00
64.59
C

ATOM
1977
CA
PRO
C
59
−17.568
26.974
49.548
1.00
63.39
C

ATOM
1978
CB
PRO
C
59
−16.550
28.104
49.563
1.00
62.51
C

ATOM
1979
CG
PRO
C
59
−15.415
27.528
48.789
1.00
65.04
C

ATOM
1980
C
PRO
C
59
−19.012
27.483
49.604
1.00
61.79
C

ATOM
1981
O
PRO
C
59
−19.700
27.320
50.610
1.00
60.35
C

ATOM
1982
N
GLY
C
60
−19.454
28.103
48.510
1.00
60.66
C

ATOM
1983
CA
GLY
C
60
−20.818
28.602
48.407
1.00
58.68
C

ATOM
1984
C
GLY
C
60
−21.158
29.976
48.969
1.00
57.35
C

ATOM
1985
O
GLY
C
60
−20.308
30.866
49.070
1.00
57.56
C

ATOM
1986
N
GLU
C
61
−22.434
30.129
49.321
1.00
54.18
C

ATOM
1987
CA
GLU
C
61
−22.992
31.354
49.888
1.00
50.07
C

ATOM
1988
CB
GLU
C
61
−24.508
31.224
49.890
1.00
50.41
C

ATOM
1989
CG
GLU
C
61
−25.214
32.363
50.547
1.00
57.12
C

ATOM
1990
CD
GLU
C
61
−25.222
33.589
49.689
1.00
59.19
C

ATOM
1991
OE1
GLU
C
61
−24.164
33.910
49.115
1.00
60.92
C

ATOM
1992
OE2
GLU
C
61
−26.288
34.232
49.595
1.00
63.49
C

ATOM
1993
C
GLU
C
61
−22.477
31.569
51.324
1.00
47.40
C

ATOM
1994
O
GLU
C
61
−22.909
30.885
52.260
1.00
48.01
C

ATOM
1995
N
LEU
C
62
−21.569
32.521
51.511
1.00
40.37
C

ATOM
1996
CA
LEU
C
62
−21.004
32.746
52.845
1.00
36.36
C

ATOM
1997
CB
LEU
C
62
−19.508
32.411
52.815
1.00
29.31
C

ATOM
1998
CG
LEU
C
62
−19.182
30.978
52.368
1.00
28.80
C

ATOM
1999
CD1
LEU
C
62
−17.706
30.859
52.066
1.00
26.49
C

ATOM
2000
CD2
LEU
C
62
−19.601
29.974
53.443
1.00
22.10
C

ATOM
2001
C
LEU
C
62
−21.199
34.128
53.471
1.00
33.73
C

ATOM
2002
O
LEU
C
62
−21.354
35.132
52.772
1.00
36.23
C

ATOM
2003
N
VAL
C
63
−21.206
34.160
54.798
1.00
29.49
C

ATOM
2004
CA
VAL
C
63
−21.323
35.408
55.551
1.00
31.48
C

ATOM
2005
CB
VAL
C
63
−22.644
35.508
56.387
1.00
31.06
C

ATOM
2006
CG1
VAL
C
63
−23.828
35.619
55.486
1.00
30.92
C

ATOM
2007
CG2
VAL
C
63
−22.787
34.291
57.317
1.00
30.01
C

ATOM
2008
C
VAL
C
63
−20.166
35.435
56.548
1.00
33.15
C

ATOM
2009
O
VAL
C
63
−19.537
34.409
56.807
1.00
35.16
C

ATOM
2010
N
ARG
C
64
−19.887
36.601
57.118
1.00
34.30
C

ATOM
2011
CA
ARG
C
64
−18.817
36.702
58.100
1.00
35.37
C

ATOM
2012
CB
ARG
C
64
−18.244
38.134
58.152
1.00
30.36
C

ATOM
2013
CG
ARG
C
64
−18.051
38.753
56.768
1.00
38.22
C

ATOM
2014
CD
ARG
C
64
−16.918
39.775
56.697
1.00
34.48
C

ATOM
2015
NE
ARG
C
64
−15.676
39.139
57.116
1.00
35.82
C

ATOM
2016
CZ
ARG
C
64
−14.461
39.499
56.724
1.00
30.77
C

ATOM
2017
NH1
ARG
C
64
−14.294
40.519
55.876
1.00
23.82
C

ATOM
2018
NH2
ARG
C
64
−13.418
38.816
57.181
1.00
20.56
C

ATOM
2019
C
ARG
C
64
−19.423
36.331
59.448
1.00
35.66
C

ATOM
2020
O
ARG
C
64
−20.615
36.529
59.669
1.00
37.90
C

ATOM
2021
N
THR
C
65
−18.610
35.760
60.329
1.00
35.18
C

ATOM
2022
CA
THR
C
65
−19.055
35.398
61.667
1.00
33.06
C

ATOM
2023
CB
THR
C
65
−18.449
34.048
62.081
1.00
32.31
C

ATOM
2024
OG1
THR
C
65
−17.029
34.175
62.197
1.00
29.11
C

ATOM
2025
CG2
THR
C
65
−18.747
32.991
61.029
1.00
32.01
C

ATOM
2026
C
THR
C
65
−18.506
36.528
62.543
1.00
32.60
C

ATOM
2027
O
THR
C
65
−17.857
37.420
62.027
1.00
29.94
C

ATOM
2028
N
ASP
C
66
−18.743
36.508
63.851
1.00
34.44
C

ATOM
2029
CA
ASP
C
66
−18.219
37.581
64.695
1.00
31.84
C

ATOM
2030
CB
ASP
C
66
−18.914
37.597
66.045
1.00
32.52
C

ATOM
2031
CG
ASP
C
66
−20.400
37.791
65.912
1.00
41.70
C

ATOM
2032
OD1
ASP
C
66
−20.785
38.582
65.028
1.00
42.68
C

ATOM
2033
OD2
ASP
C
66
−21.180
37.167
66.674
1.00
41.52
C

ATOM
2034
C
ASP
C
66
−16.716
37.453
64.883
1.00
34.39
C

ATOM
2035
O
ASP
C
66
−16.077
38.290
65.528
1.00
35.61
C

ATOM
2036
N
SER
C
67
−16.146
36.398
64.312
1.00
34.17
C

ATOM
2037
CA
SER
C
67
−14.709
36.180
64.397
1.00
32.58
C

ATOM
2038
CB
SER
C
67
−14.393
34.716
64.696
1.00
31.68
C

ATOM
2039
OG
SER
C
67
−13.012
34.460
64.504
1.00
29.20
C

ATOM
2040
C
SER
C
67
−14.068
36.567
63.071
1.00
31.02
C

ATOM
2041
O
SER
C
67
−14.589
36.268
62.001
1.00
35.75
C

ATOM
2042
N
PRO
C
68
−12.928
37.249
63.128
1.00
27.83
C

ATOM
2043
CD
PRO
C
68
−12.257
37.794
64.324
1.00
21.54
C

ATOM
2044
CA
PRO
C
68
−12.251
37.658
61.890
1.00
26.94
C

ATOM
2045
CB
PRO
C
68
−11.248
38.700
62.387
1.00
20.48
C

ATOM
2046
CG
PRO
C
68
−10.903
38.166
63.790
1.00
18.95
C

ATOM
2047
C
PRO
C
68
−11.562
36.493
61.154
1.00
28.28
C

ATOM
2048
O
PRO
C
68
−11.026
36.674
60.056
1.00
27.05
C

ATOM
2049
N
ASN
C
69
−11.581
35.305
61.759
1.00
27.29
C

ATOM
2050
CA
ASN
C
69
−10.919
34.140
61.166
1.00
26.80
C

ATOM
2051
CB
ASN
C
69
−10.081
33.436
62.228
1.00
24.12
C

ATOM
2052
CG
ASN
C
69
−8.900
32.682
61.654
1.00
24.64
C

ATOM
2053
OD1
ASN
C
69
−8.329
33.072
60.636
1.00
22.53
C

ATOM
2054
ND2
ASN
C
69
−8.495
32.614
62.337
1.00
26.99
C

ATOM
2055
C
ASN
C
69
−11.873
33.128
60.552
1.00
27.07
C

ATOM
2056
O
ASN
C
69
−11.429
32.148
59.967
1.00
30.84
C

ATOM
2057
N
PHE
C
70
−13.177
33.358
60.675
1.00
27.80
C

ATOM
2058
CA
PHE
C
70
−14.142
32.412
60.126
1.00
26.17
C

ATOM
2059
CB
PHE
C
70
−14.651
31.480
61.223
1.00
24.38
C

ATOM
2060
CG
PHE
C
70
−13.565
30.794
61.966
1.00
27.28
C

ATOM
2061
CD1
PHE
C
70
−13.094
31.312
63.171
1.00
25.12
C

ATOM
2062
CD2
PHE
C
70
−12.951
29.673
61.431
1.00
22.24
C

ATOM
2063
CE1
PHE
C
70
−12.024
30.725
63.824
1.00
24.21
C

ATOM
2064
CE2
PHE
C
70
−11.879
29.085
62.083
1.00
27.66
C

ATOM
2065
CZ
PHE
C
70
−11.414
29.612
63.278
1.00
24.67
C

ATOM
2066
C
PHE
C
70
−15.347
32.988
59.417
1.00
27.68
C

ATOM
2067
O
PHE
C
70
−15.908
34.008
59.820
1.00
30.11
C

ATOM
2068
N
LEU
C
71
−15.731
32.306
58.347
1.00
25.86
C

ATOM
2069
CA
LEU
C
71
−16.901
32.656
57.579
1.00
26.61
C

ATOM
2070
CB
LEU
C
71
−16.540
32.879
56.101
1.00
28.42
C

ATOM
2071
CG
LEU
C
71
−15.586
34.001
55.675
1.00
23.99
C

ATOM
2072
CD1
LEU
C
71
−15.458
34.033
54.173
1.00
18.21
C

ATOM
2073
CD2
LEU
C
71
−16.104
35.317
56.158
1.00
25.86
C

ATOM
2074
C
LEU
C
71
−17.737
31.378
57.727
1.00
29.32
C

ATOM
2075
O
LEU
C
71
−17.193
30.318
58.054
1.00
28.01
C

ATOM
2076
N
CYS
C
72
−19.048
31.475
57.532
1.00
27.51
C

ATOM
2077
CA
CYS
C
72
−19.908
30.303
57.604
1.00
27.51
C

ATOM
2078
CB
CYS
C
72
−20.487
30.092
59.011
1.00
22.79
C

ATOM
2079
SG
CYS
C
72
−21.731
31.271
59.537
1.00
27.60
C

ATOM
2080
C
CYS
C
72
−21.027
30.463
56.595
1.00
29.16
C

ATOM
2081
O
CYS
C
72
−21.201
31.535
56.003
1.00
30.53
C

ATOM
2082
N
SER
C
73
−21.773
29.386
56.393
1.00
31.33
C

ATOM
2083
CA
SER
C
73
−22.865
29.379
55.440
1.00
34.25
C

ATOM
2084
CB
SER
C
73
−23.375
27.948
55.229
1.00
34.47
C

ATOM
2085
OG
SER
C
73
−22.388
27.148
54.603
1.00
37.57
C

ATOM
2086
C
SER
C
73
−24.009
30.251
55.893
1.00
33.98
C

ATOM
2087
O
SER
C
73
−24.273
30.354
57.085
1.00
35.04
C

ATOM
2088
N
VAL
C
74
−24.670
30.889
54.932
1.00
35.67
C

ATOM
2089
CA
VAL
C
74
−25.828
31.719
55.222
1.00
40.21
C

ATOM
2090
CB
VAL
C
74
−26.294
32.545
53.997
1.00
41.17
C

ATOM
2091
CG1
VAL
C
74
−27.470
33.419
54.385
1.00
41.13
C

ATOM
2092
CG2
VAL
C
74
−25.162
33.400
53.486
1.00
47.12
C

ATOM
2093
C
VAL
C
74
−26.922
30.715
55.533
1.00
38.40
C

ATOM
2094
O
VAL
C
74
−27.102
29.745
54.795
1.00
38.40
C

ATOM
2095
N
LEU
C
75
−27.639
30.940
56.626
1.00
36.95
C

ATOM
2096
CA
LEU
C
75
−28.706
30.039
57.023
1.00
36.14
C

ATOM
2097
CB
LEU
C
75
−28.639
29.751
58.530
1.00
30.71
C

ATOM
2098
CG
LEU
C
75
−27.570
28.755
58.971
1.00
31.12
C

ATOM
2099
CD1
LEU
C
75
−27.556
28.603
60.510
1.00
24.51
C

ATOM
2100
CD2
LEU
C
75
−27.848
27.425
58.270
1.00
22.61
C

ATOM
2101
C
LEU
C
75
−30.028
30.684
56.709
1.00
36.90
C

ATOM
2102
O
LEU
C
75
−30.091
31.891
56.501
1.00
39.23
C

ATOM
2103
N
PRO
C
76
−31.100
29.881
56.638
1.00
38.41
C

ATOM
2104
CD
PRO
C
76
−31.107
28.406
56.611
1.00
37.97
C

ATOM
2105
CA
PRO
C
76
−32.434
30.422
56.355
1.00
36.75
C

ATOM
2106
CB
PRO
C
76
−33.304
29.174
56.246
1.00
38.25
C

ATOM
2107
CG
PRO
C
76
−32.341
28.115
55.794
1.00
43.03
C

ATOM
2108
C
PRO
C
76
−32.800
31.247
57.584
1.00
38.15
C

ATOM
2109
O
PRO
C
76
−32.376
30.925
58.692
1.00
40.29
C

ATOM
2110
N
THR
C
77
−33.575
32.305
57.400
1.00
39.34
C

ATOM
2111
CA
THR
C
77
−33.977
33.156
58.514
1.00
38.66
C

ATOM
2112
CB
THR
C
77
−34.687
34.410
57.983
1.00
40.84
C

ATOM
2113
OG1
THR
C
77
−33.697
35.330
57.512
1.00
44.54
C

ATOM
2114
CG2
THR
C
77
−35.543
35.067
59.061
1.00
40.42
C

ATOM
2115
C
THR
C
77
−34.900
32.421
59.478
1.00
40.63
C

ATOM
2116
O
THR
C
77
−34.829
32.602
60.700
1.00
38.63
C

ATOM
2117
N
HIS
C
78
−35.766
31.595
58.903
1.00
39.96
C

ATOM
2118
CA
HIS
C
78
−36.742
30.820
59.651
1.00
40.41
C

ATOM
2119
CB
HIS
C
78
−38.125
31.462
59.512
1.00
38.67
C

ATOM
2120
CG
HIS
C
78
−39.181
30.834
60.365
1.00
40.89
C

ATOM
2121
CD2
HIS
C
78
−39.124
29.820
61.261
1.00
41.72
C

ATOM
2122
ND1
HIS
C
78
−40.489
31.275
60.373
1.00
38.88
C

ATOM
2123
CE1
HIS
C
78
−41.187
30.564
61.237
1.00
38.79
C

ATOM
2124
NE2
HIS
C
78
−40.383
29.674
61.791
1.00
43.14
C

ATOM
2125
C
HIS
C
78
−36.742
29.425
59.041
1.00
40.68
C

ATOM
2126
O
HIS
C
78
−36.702
29.272
57.819
1.00
43.76
C

ATOM
2127
N
TRP
C
79
−36.771
28.407
59.888
1.00
36.36
C

ATOM
2128
CA
TRP
C
79
−36.757
27.046
59.396
1.00
32.70
C

ATOM
2129
CB
TRP
C
79
−35.327
26.562
59.251
1.00
29.75
C

ATOM
2130
CG
TRP
C
79
−35.209
25.465
58.282
1.00
30.22
C

ATOM
2131
CD2
TRP
C
79
−35.464
25.545
56.882
1.00
27.92
C

ATOM
2132
CE2
TRP
C
79
−35.185
24.277
56.336
1.00
29.39
C

ATOM
2133
CE3
TRP
C
79
−35.901
26.566
56.035
1.00
30.13
C

ATOM
2134
CD1
TRP
C
79
−34.805
24.193
58.530
1.00
31.38
C

ATOM
2135
NE1
TRP
C
79
−34.785
23.468
57.365
1.00
31.51
C

ATOM
2136
CZ2
TRP
C
79
−35.326
24.000
54.973
1.00
29.40
C

ATOM
2137
CZ3
TRP
C
79
−36.042
26.291
54.681
1.00
31.68
C

ATOM
2138
CH2
TRP
C
79
−35.753
25.016
54.164
1.00
27.90
C

ATOM
2139
C
TRP
C
79
−37.523
26.102
60.305
1.00
32.57
C

ATOM
2140
O
TRP
C
79
−37.702
26.365
61.494
1.00
31.61
C

ATOM
2141
N
ARG
C
80
−37.973
24.992
59.737
1.00
34.09
C

ATOM
2142
CA
ARG
C
80
−38.731
24.026
60.506
1.00
35.79
C

ATOM
2143
CB
ARG
C
80
−39.606
23.167
59.581
1.00
35.49
C

ATOM
2144
CG
ARG
C
80
−40.293
22.012
60.291
1.00
38.40
C

ATOM
2145
CD
ARG
C
80
−41.158
21.213
59.345
1.00
40.84
C

ATOM
2146
NE
ARG
C
80
−42.406
21.904
59.047
1.00
43.22
C

ATOM
2147
CZ
ARG
C
80
−43.338
21.441
58.222
1.00
43.11
C

ATOM
2148
NH1
ARG
C
80
−43.161
20.278
57.603
1.00
42.49
C

ATOM
2149
NH2
ARG
C
80
−44.456
22.132
58.033
1.00
37.61
C

ATOM
2150
C
ARG
C
80
−37.840
23.131
61.358
1.00
34.71
C

ATOM
2151
O
ARG
C
80
−36.778
22.674
60.931
1.00
30.77
C

ATOM
2152
N
CYS
C
81
−38.303
22.889
62.573
1.00
34.67
C

ATOM
2153
CA
CYS
C
81
−37.607
22.044
63.519
1.00
34.88
C

ATOM
2154
CB
CYS
C
81
−38.486
21.927
64.768
1.00
31.37
C

ATOM
2155
SG
CYS
C
81
−38.399
20.409
65.673
1.00
50.90
C

ATOM
2156
C
CYS
C
81
−37.291
20.680
62.882
1.00
33.61
C

ATOM
2157
O
CYS
C
81
−38.156
20.027
62.304
1.00
34.69
C

ATOM
2158
N
ASN
C
82
−36.025
20.287
62.960
1.00
34.12
C

ATOM
2159
CA
ASN
C
82
−35.523
19.023
62.424
1.00
30.63
C

ATOM
2160
CB
ASN
C
82
−36.160
17.842
63.162
1.00
29.59
C

ATOM
2161
CG
ASN
C
82
−35.436
16.534
62.885
1.00
31.48
C

ATOM
2162
OD1
ASN
C
82
−34.204
16.498
62.805
1.00
33.61
C

ATOM
2163
ND2
ASN
C
82
−36.192
15.453
62.744
1.00
33.04
C

ATOM
2164
C
ASN
C
82
−35.627
18.796
60.912
1.00
31.43
C

ATOM
2165
O
ASN
C
82
−35.462
17.677
60.439
1.00
31.86
C

ATOM
2166
N
LYS
C
83
−35.879
19.848
60.147
1.00
32.65
C

ATOM
2167
CA
LYS
C
83
−35.971
19.708
58.699
1.00
33.64
C

ATOM
2168
CB
LYS
C
83
−36.978
20.726
58.145
1.00
35.90
C

ATOM
2169
CG
LYS
C
83
−37.206
20.703
56.632
1.00
35.53
C

ATOM
2170
CD
LYS
C
83
−38.315
21.687
56.287
1.00
43.16
C

ATOM
2171
CE
LYS
C
83
−38.331
22.105
54.819
1.00
41.81
C

ATOM
2172
NZ
LYS
C
83
−38.858
21.058
53.917
1.00
45.98
C

ATOM
2173
C
LYS
C
83
−34.578
19.936
58.109
1.00
36.45
C

ATOM
2174
O
LYS
C
83
−33.814
20.764
58.612
1.00
39.62
C

ATOM
2175
N
THR
C
84
−34.236
19.194
57.061
1.00
34.66
C

ATOM
2176
CA
THR
C
84
−32.932
19.350
56.432
1.00
35.55
C

ATOM
2177
CB
THR
C
84
−32.745
18.360
55.254
1.00
34.77
C

ATOM
2178
OG1
THR
C
84
−32.632
17.027
55.765
1.00
37.42
C

ATOM
2179
CG2
THR
C
84
−31.483
18.691
54.465
1.00
33.12
C

ATOM
2180
C
THR
C
84
−32.779
20.775
55.912
1.00
38.12
C

ATOM
2181
O
THR
C
84
−33.738
21.373
55.429
1.00
39.49
C

ATOM
2182
N
LEU
C
85
−31.577
21.326
56.023
1.00
39.88
C

ATOM
2183
CA
LEU
C
85
−31.336
22.683
55.541
1.00
38.74
C

ATOM
2184
CB
LEU
C
85
−30.021
23.223
56.108
1.00
37.40
C

ATOM
2185
CG
LEU
C
85
−30.060
23.450
57.621
1.00
38.73
C

ATOM
2186
CD1
LEU
C
85
−28.648
23.680
58.152
1.00
34.16
C

ATOM
2187
CD2
LEU
C
85
−30.987
24.620
57.929
1.00
32.68
C

ATOM
2188
C
LEU
C
85
−31.301
22.682
54.021
1.00
36.41
C

ATOM
2189
O
LEU
C
85
−30.950
21.681
53.402
1.00
34.24
C

ATOM
2190
N
PRO
C
86
−31.690
23.801
53.401
1.00
35.90
C

ATOM
2191
CD
PRO
C
86
−32.248
25.001
54.046
1.00
36.58
C

ATOM
2192
CA
PRO
C
86
−31.707
23.935
51.941
1.00
38.25
C

ATOM
2193
CB
PRO
C
86
−32.493
25.231
51.729
1.00
37.13
C

ATOM
2194
CG
PRO
C
86
−32.168
26.024
52.948
1.00
37.77
C

ATOM
2195
C
PRO
C
86
−30.309
23.966
51.304
1.00
40.07
C

ATOM
2196
O
PRO
C
86
−30.170
23.843
50.087
1.00
41.00
C

ATOM
2197
N
ILE
C
87
−29.287
24.129
52.143
1.00
39.29
C

ATOM
2198
CA
ILE
C
87
−27.887
24.166
51.717
1.00
38.33
C

ATOM
2199
CB
ILE
C
87
−27.364
25.642
51.593
1.00
41.38
C

ATOM
2200
CG2
ILE
C
87
−28.195
26.401
50.573
1.00
41.48
C

ATOM
2201
CG1
ILE
C
87
−27.466
26.387
52.938
1.00
44.39
C

ATOM
2202
CD1
ILE
C
87
−26.379
26.052
53.960
1.00
43.12
C

ATOM
2203
C
ILE
C
87
−27.096
23.428
52.793
1.00
35.39
C

ATOM
2204
O
ILE
C
87
−27.558
23.319
53.920
1.00
36.57
C

ATOM
2205
N
ALA
C
88
−25.917
22.916
52.458
1.00
32.88
C

ATOM
2206
CA
ALA
C
88
−25.095
22.206
53.440
1.00
31.82
C

ATOM
2207
CB
ALA
C
88
−24.186
21.205
52.741
1.00
27.94
C

ATOM
2208
C
ALA
C
88
−24.253
23.206
54.234
1.00
32.23
C

ATOM
2209
O
ALA
C
88
−23.427
23.925
53.662
1.00
33.93
C

ATOM
2210
N
PHE
C
89
−24.445
23.243
55.547
1.00
29.93
C

ATOM
2211
CA
PHE
C
89
−23.695
24.172
56.383
1.00
33.13
C

ATOM
2212
CB
PHE
C
89
−24.115
24.061
57.846
1.00
28.93
C

ATOM
2213
CG
PHE
C
89
−23.634
25.203
58.680
1.00
29.06
C

ATOM
2214
CD1
PHE
C
89
−24.099
26.494
58.435
1.00
29.92
C

ATOM
2215
CD2
PHE
C
89
−22.700
25.005
59.689
1.00
25.08
C

ATOM
2216
CE1
PHE
C
89
−23.642
27.577
59.185
1.00
26.73
C

ATOM
2217
CE2
PHE
C
89
−22.234
26.078
60.445
1.00
27.16
C

ATOM
2218
CZ
PHE
C
89
−22.708
27.371
60.190
1.00
28.28
C

ATOM
2219
C
PHE
C
89
−22.181
23.997
56.313
1.00
34.47
C

ATOM
2220
O
PHE
C
89
−21.660
22.894
56.512
1.00
38.01
C

ATOM
2221
N
LYS
C
90
−21.478
25.095
56.049
1.00
32.15
C

ATOM
2222
CA
LYS
C
90
−20.020
25.069
55.972
1.00
34.17
C

ATOM
2223
CB
LYS
C
90
−19.528
25.317
54.541
1.00
34.96
C

ATOM
2224
CG
LYS
C
90
−19.916
24.279
53.513
1.00
41.90
C

ATOM
2225
CD
LYS
C
90
−19.718
24.850
52.109
1.00
46.04
C

ATOM
2226
CE
LYS
C
90
−20.420
24.011
51.052
1.00
48.91
C

ATOM
2227
NZ
LYS
C
90
−19.753
22.692
50.872
1.00
51.57
C

ATOM
2228
C
LYS
C
90
−19.429
26.163
56.853
1.00
34.46
C

ATOM
2229
O
LYS
C
90
−20.013
27.243
56.997
1.00
29.80
C

ATOM
2230
N
VAL
C
91
−18.279
25.865
57.454
1.00
33.33
C

ATOM
2231
CA
VAL
C
91
−17.555
26.834
58.261
1.00
29.64
C

ATOM
2232
CB
VAL
C
91
−17.228
26.306
59.660
1.00
29.02
C

ATOM
2233
CG1
VAL
C
91
−16.301
27.286
60.368
1.00
26.17
C

ATOM
2234
CG2
VAL
C
91
−18.512
26.133
60.472
1.00
28.25
C

ATOM
2235
C
VAL
C
91
−16.260
26.995
57.478
1.00
29.47
C

ATOM
2236
O
VAL
C
91
−15.572
26.015
57.220
1.00
31.84
C

ATOM
2237
N
VAL
C
92
−15.948
28.215
57.056
1.00
27.86
C

ATOM
2238
CA
VAL
C
92
−14.723
28.453
56.301
1.00
26.10
C

ATOM
2239
CB
VAL
C
92
−14.986
29.288
55.023
1.00
26.95
C

ATOM
2240
CG1
VAL
C
92
−13.667
29.522
54.281
1.00
20.20
C

ATOM
2241
CG2
VAL
C
92
−15.997
28.569
54.117
1.00
21.64
C

ATOM
2242
C
VAL
C
92
−13.685
29.185
57.140
1.00
26.50
C

ATOM
2243
O
VAL
C
92
−13.941
30.275
57.653
1.00
24.74
C

ATOM
2244
N
ALA
C
93
−12.514
28.573
57.285
1.00
28.12
C

ATOM
2245
CA
ALA
C
93
−11.436
29.186
58.048
1.00
29.15
C

ATOM
2246
CB
ALA
C
93
−10.583
28.132
58.700
1.00
18.92
C

ATOM
2247
C
ALA
C
93
−10.597
30.024
57.108
1.00
30.42
C

ATOM
2248
O
ALA
C
93
−10.171
29.543
56.054
1.00
33.81
C

ATOM
2249
N
LEU
C
94
−10.376
31.284
57.474
1.00
32.11
C

ATOM
2250
CA
LEU
C
94
−9.563
32.172
56.646
1.00
30.55
C

ATOM
2251
CB
LEU
C
94
−9.791
33.639
57.028
1.00
25.20
C

ATOM
2252
CG
LEU
C
94
−11.243
34.140
56.914
1.00
27.89
C

ATOM
2253
CD1
LEU
C
94
−11.282
35.628
57.206
1.00
26.21
C

ATOM
2254
CD2
LEU
C
94
−11.809
33.872
55.522
1.00
20.22
C

ATOM
2255
C
LEU
C
94
−8.112
31.778
56.877
1.00
30.67
C

ATOM
2256
O
LEU
C
94
−7.494
31.130
56.025
1.00
31.46
C

ATOM
2257
N
GLY
C
95
−7.577
32.143
58.034
1.00
24.96
C

ATOM
2258
CA
GLY
C
95
−6.205
31.796
58.335
1.00
25.58
C

ATOM
2259
C
GLY
C
95
−5.988
30.298
58.483
1.00
29.63
C

ATOM
2260
O
GLY
C
95
−6.899
29.547
58.871
1.00
31.58
C

ATOM
2261
N
ASP
C
96
−4.771
29.860
58.186
1.00
27.73
C

ATOM
2262
CA
ASP
C
96
−4.420
28.445
58.265
1.00
31.37
C

ATOM
2263
CB
ASP
C
96
−2.890
28.263
58.318
1.00
30.07
C

ATOM
2264
CG
ASP
C
96
−2.184
28.646
57.016
1.00
39.54
C

ATOM
2265
OD1
ASP
C
96
−2.730
29.434
56.211
1.00
42.05
C

ATOM
2266
OD2
ASP
C
96
−1.047
28.163
56.809
1.00
44.03
C

ATOM
2267
C
ASP
C
96
−5.017
27.727
59.483
1.00
32.25
C

ATOM
2268
O
ASP
C
96
−4.991
28.253
60.604
1.00
32.60
C

ATOM
2269
N
VAL
C
97
−5.558
26.534
59.237
1.00
27.90
C

ATOM
2270
CA
VAL
C
97
−6.101
25.659
60.276
1.00
31.30
C

ATOM
2271
CB
VAL
C
97
−7.605
25.867
60.523
1.00
32.25
C

ATOM
2272
CG1
VAL
C
97
−8.138
24.751
61.420
1.00
31.35
C

ATOM
2273
CG2
VAL
C
97
−7.832
27.207
61.189
1.00
32.29
C

ATOM
2274
C
VAL
C
97
−5.864
24.257
59.733
1.00
29.45
C

ATOM
2275
O
VAL
C
97
−6.371
23.898
58.684
1.00
31.48
C

ATOM
2276
N
PRO
C
98
−5.083
23.445
60.445
1.00
30.86
C

ATOM
2277
CD
PRO
C
98
−4.395
23.734
61.717
1.00
25.22
C

ATOM
2278
CA
PRO
C
98
−4.799
22.084
59.970
1.00
29.68
C

ATOM
2279
CB
PRO
C
98
−3.812
21.549
61.016
1.00
28.70
C

ATOM
2280
CG
PRO
C
98
−4.105
22.361
62.241
1.00
28.52
C

ATOM
2281
C
PRO
C
98
−5.968
21.138
59.732
1.00
31.46
C

ATOM
2282
O
PRO
C
98
−6.914
21.078
60.526
1.00
32.86
C

ATOM
2283
N
ASP
C
99
−5.889
20.399
58.625
1.00
31.31
C

ATOM
2284
CA
ASP
C
99
−6.910
19.417
58.276
1.00
34.49
C

ATOM
2285
CB
ASP
C
99
−6.461
18.522
57.116
1.00
38.17
C

ATOM
2286
CG
ASP
C
99
−6.408
19.242
55.786
1.00
44.07
C

ATOM
2287
OD1
ASP
C
99
−7.065
20.296
55.628
1.00
47.55
C

ATOM
2288
OD2
ASP
C
99
−5.711
18.724
54.883
1.00
45.48
C

ATOM
2289
C
ASP
C
99
−7.154
18.504
59.473
1.00
35.28
C

ATOM
2290
O
ASP
C
99
−6.241
18.231
60.249
1.00
36.07
C

ATOM
2291
N
GLY
C
100
−8.383
18.018
59.611
1.00
33.38
C

ATOM
2292
CA
GLY
C
100
−8.683
17.128
60.709
1.00
29.75
C

ATOM
2293
C
GLY
C
100
−9.160
17.835
61.952
1.00
30.53
C

ATOM
2294
O
GLY
C
100
−9.792
17.202
62.801
1.00
32.37
C

ATOM
2295
N
THR
C
101
−8.870
19.134
62.064
1.00
27.85
C

ATOM
2296
CA
THR
C
101
−9.276
19.926
63.223
1.00
25.69
C

ATOM
2297
CB
THR
C
101
−8.883
21.406
63.062
1.00
28.49
C

ATOM
2298
OG1
THR
C
101
−7.462
21.517
62.897
1.00
30.37
C

ATOM
2299
CG2
THR
C
101
−9.324
22.205
64.289
1.00
20.01
C

ATOM
2300
C
THR
C
101
−10.786
19.863
63.370
1.00
29.15
C

ATOM
2301
O
THR
C
101
−11.518
20.154
62.422
1.00
29.95
C

ATOM
2302
N
LEU
C
102
−11.256
19.493
64.556
1.00
30.63
C

ATOM
2303
CA
LEU
C
102
−12.690
19.387
64.799
1.00
30.79
C

ATOM
2304
CB
LEU
C
102
−12.953
18.547
66.044
1.00
28.51
C

ATOM
2305
CG
LEU
C
102
−12.380
17.128
65.910
1.00
36.23
C

ATOM
2306
CD1
LEU
C
102
−12.381
16.440
67.266
1.00
37.67
C

ATOM
2307
CD2
LEU
C
102
−13.171
16.330
64.895
1.00
33.96
C

ATOM
2308
C
LEU
C
102
−13.412
20.725
64.924
1.00
32.89
C

ATOM
2309
O
LEU
C
102
−12.928
21.669
65.555
1.00
34.47
C

ATOM
2310
N
VAL
C
103
−14.576
20.801
64.292
1.00
29.35
C

ATOM
2311
CA
VAL
C
103
−15.394
21.990
64.355
1.00
26.95
C

ATOM
2312
CB
VAL
C
103
−15.513
22.654
62.988
1.00
24.98
C

ATOM
2313
CG1
VAL
C
103
−16.294
23.937
63.118
1.00
21.66
C

ATOM
2314
CG2
VAL
C
103
−14.135
22.918
62.421
1.00
28.10
C

ATOM
2315
C
VAL
C
103
−16.783
21.566
64.822
1.00
26.32
C

ATOM
2316
O
VAL
C
103
−17.374
20.635
64.274
1.00
28.87
C

ATOM
2317
N
THR
C
104
−17.293
22.227
65.850
1.00
24.59
C

ATOM
2318
CA
THR
C
104
−18.618
21.906
66.336
1.00
27.26
C

ATOM
2319
CB
THR
C
104
−18.619
21.396
67.799
1.00
28.77
C

ATOM
2320
OG1
THR
C
104
−18.353
22.482
68.694
1.00
32.01
C

ATOM
2321
CG2
THR
C
104
−17.566
20.316
67.986
1.00
31.71
C

ATOM
2322
C
THR
C
104
−19.452
23.161
66.259
1.00
28.14
C

ATOM
2323
O
THR
C
104
−18.922
24.268
66.141
1.00
30.24
C

ATOM
2324
N
VAL
C
105
−20.762
22.968
66.307
1.00
29.13
C

ATOM
2325
CA
VAL
C
105
−21.724
24.055
66.255
1.00
29.87
C

ATOM
2326
CB
VAL
C
105
−22.565
24.004
64.963
1.00
28.84
C

ATOM
2327
CG1
VAL
C
105
−23.610
25.090
64.981
1.00
34.13
C

ATOM
2328
CG2
VAL
C
105
−21.681
24.153
63.770
1.00
32.31
C

ATOM
2329
C
VAL
C
105
−22.686
23.879
67.424
1.00
31.67
C

ATOM
2330
O
VAL
C
105
−22.985
22.752
67.834
1.00
33.85
C

ATOM
2331
N
MET
C
106
−23.164
24.998
67.955
1.00
28.11
C

ATOM
2332
CA
MET
C
106
−24.134
24.983
69.031
1.00
25.41
C

ATOM
2333
CB
MET
C
106
−23.457
25.185
70.380
1.00
23.76
C

ATOM
2334
CG
MET
C
106
−22.458
24.107
70.699
1.00
24.51
C

ATOM
2335
SD
MET
C
106
−21.995
24.096
72.433
1.00
35.20
C

ATOM
2336
CE
MET
C
106
−21.065
25.615
72.578
1.00
23.30
C

ATOM
2337
C
MET
C
106
−25.092
26.120
68.739
1.00
26.71
C

ATOM
2338
O
MET
C
106
−24.719
27.096
68.081
1.00
26.62
C

ATOM
2339
N
ALA
C
107
−26.330
25.988
69.203
1.00
26.98
C

ATOM
2340
CA
ALA
C
107
−27.332
27.021
68.979
1.00
28.83
C

ATOM
2341
CB
ALA
C
107
−28.242
26.629
67.828
1.00
29.04
C

ATOM
2342
C
ALA
C
107
−28.152
27.260
70.232
1.00
31.43
C

ATOM
2343
O
ALA
C
107
−28.545
26.324
70.920
1.00
31.42
C

ATOM
2344
N
GLY
C
108
−28.398
28.527
70.532
1.00
30.92
C

ATOM
2345
CA
GLY
C
108
−29.185
28.840
71.698
1.00
30.07
C

ATOM
2346
C
GLY
C
108
−29.409
30.323
71.837
1.00
34.12
C

ATOM
2347
O
GLY
C
108
−28.868
31.114
71.073
1.00
34.25
C

ATOM
2348
N
ASN
C
109
−30.242
30.688
72.802
1.00
37.52
C

ATOM
2349
CA
ASN
C
109
−30.522
32.078
73.104
1.00
41.79
C

ATOM
2350
CB
ASN
C
109
−31.748
32.592
72.330
1.00
43.32
C

ATOM
2351
CG
ASN
C
109
−32.936
31.658
72.406
1.00
44.21
C

ATOM
2352
OD1
ASN
C
109
−33.216
31.056
73.445
1.00
47.27
C

ATOM
2353
ND2
ASN
C
109
−33.658
31.548
71.303
1.00
46.40
C

ATOM
2354
C
ASN
C
109
−30.731
32.166
74.613
1.00
45.76
C

ATOM
2355
O
ASN
C
109
−30.242
31.313
75.342
1.00
47.24
C

ATOM
2356
N
ASP
C
110
−31.450
33.181
75.078
1.00
50.37
C

ATOM
2357
CA
ASP
C
110
−31.690
33.373
76.508
1.00
55.06
C

ATOM
2358
CB
ASP
C
110
−32.341
34.735
76.740
1.00
58.47
C

ATOM
2359
CG
ASP
C
110
−33.603
34.909
75.934
1.00
62.99
C

ATOM
2360
OD1
ASP
C
110
−33.507
34.981
74.692
1.00
67.69
C

ATOM
2361
OD2
ASP
C
110
−34.695
34.958
76.538
1.00
69.79
C

ATOM
2362
C
ASP
C
110
−32.545
32.282
77.154
1.00
55.76
C

ATOM
2363
O
ASP
C
110
−32.342
31.938
78.315
1.00
54.12
C

ATOM
2364
N
GLU
C
111
−33.511
31.754
76.410
1.00
58.49
C

ATOM
2365
CA
GLU
C
111
−34.380
30.692
76.922
1.00
59.19
C

ATOM
2366
CB
GLU
C
111
−35.708
30.665
76.172
1.00
61.48
C

ATOM
2367
CG
GLU
C
111
−36.538
31.906
76.322
1.00
70.63
C

ATOM
2368
CD
GLU
C
111
−37.827
31.814
75.545
1.00
71.90
C

ATOM
2369
OE1
GLU
C
111
−38.548
30.809
75.726
1.00
72.19
C

ATOM
2370
OE2
GLU
C
111
−38.119
32.745
74.764
1.00
73.76
C

ATOM
2371
C
GLU
C
111
−33.693
29.358
76.703
1.00
56.37
C

ATOM
2372
O
GLU
C
111
−33.134
28.756
77.627
1.00
54.81
C

ATOM
2373
N
ASN
C
112
−33.757
28.899
75.460
1.00
48.89
C

ATOM
2374
CA
ASN
C
112
−33.139
27.645
75.088
1.00
45.44
C

ATOM
2375
CB
ASN
C
112
−33.735
27.171
73.765
1.00
40.94
C

ATOM
2376
CG
ASN
C
112
−33.512
25.710
73.527
1.00
41.15
C

ATOM
2377
OD1
ASN
C
112
−32.724
25.072
74.225
1.00
43.65
C

ATOM
2378
ND2
ASN
C
112
−34.193
25.162
72.532
1.00
38.21
C

ATOM
2379
C
ASN
C
112
−31.636
27.938
74.958
1.00
45.15
C

ATOM
2380
O
ASN
C
112
−31.168
28.420
73.923
1.00
43.37
C

ATOM
2381
N
TYR
C
113
−30.896
27.670
76.032
1.00
42.09
C

ATOM
2382
CA
TYR
C
113
−29.458
27.918
76.082
1.00
41.24
C

ATOM
2383
CB
TYR
C
113
−28.929
27.687
77.500
1.00
44.97
C

ATOM
2384
CG
TYR
C
113
−29.482
28.644
78.514
1.00
48.59
C

ATOM
2385
CD1
TYR
C
113
−30.190
28.186
79.626
1.00
52.29
C

ATOM
2386
CE1
TYR
C
113
−30.722
29.080
80.569
1.00
54.47
C

ATOM
2387
CD2
TYR
C
113
−29.310
30.015
78.361
1.00
49.69
C

ATOM
2388
CE2
TYR
C
113
−29.826
30.915
79.289
1.00
55.35
C

ATOM
2389
CZ
TYR
C
113
−30.534
30.446
80.391
1.00
55.07
C

ATOM
2390
OH
TYR
C
113
−31.052
31.353
81.295
1.00
56.26
C

ATOM
2391
C
TYR
C
113
−28.654
27.057
75.124
1.00
40.30
C

ATOM
2392
O
TYR
C
113
−27.616
27.476
74.617
1.00
41.74
C

ATOM
2393
N
SER
C
114
−29.130
25.846
74.882
1.00
39.35
C

ATOM
2394
CA
SER
C
114
−28.424
24.941
74.005
1.00
37.57
C

ATOM
2395
CB
SER
C
114
−27.414
24.147
74.829
1.00
37.77
C

ATOM
2396
OG
SER
C
114
−26.465
23.508
74.005
1.00
42.42
C

ATOM
2397
C
SER
C
114
−29.419
24.012
73.330
1.00
38.29
C

ATOM
2398
O
SER
C
114
−29.746
22.958
73.862
1.00
42.79
C

ATOM
2399
N
ALA
C
115
−29.903
24.409
72.158
1.00
36.65
C

ATOM
2400
CA
ALA
C
115
−30.870
23.614
71.407
1.00
35.98
C

ATOM
2401
CB
ALA
C
115
−31.348
24.404
70.197
1.00
37.14
C

ATOM
2402
C
ALA
C
115
−30.305
22.272
70.949
1.00
37.13
C

ATOM
2403
O
ALA
C
115
−29.103
22.139
70.727
1.00
38.16
C

ATOM
2404
N
GLU
C
116
−31.170
21.270
70.810
1.00
36.87
C

ATOM
2405
CA
GLU
C
116
−30.706
19.973
70.346
1.00
37.22
C

ATOM
2406
CB
GLU
C
116
−31.748
18.876
70.591
1.00
34.85
C

ATOM
2407
CG
GLU
C
116
−31.442
17.590
69.816
1.00
38.89
C

ATOM
2408
CD
GLU
C
116
−32.401
16.437
70.106
1.00
43.12
C

ATOM
2409
OE1
GLU
C
116
−33.551
16.696
70.527
1.00
44.28
C

ATOM
2410
OE2
GLU
C
116
−31.999
15.267
69.892
1.00
44.72
C

ATOM
2411
C
GLU
C
116
−30.406
20.085
68.855
1.00
38.26
C

ATOM
2412
O
GLU
C
116
−31.188
20.648
68.090
1.00
36.97
C

ATOM
2413
N
LEU
C
117
−29.262
19.551
68.451
1.00
37.89
C

ATOM
2414
CA
LEU
C
117
−28.856
19.592
67.062
1.00
37.08
C

ATOM
2415
CB
LEU
C
117
−27.644
20.512
66.908
1.00
37.77
C

ATOM
2416
CG
LEU
C
117
−27.804
21.963
67.382
1.00
41.21
C

ATOM
2417
CD1
LEU
C
117
−26.472
22.698
67.233
1.00
42.22
C

ATOM
2418
CD2
LEU
C
117
−28.881
22.660
66.568
1.00
39.29
C

ATOM
2419
C
LEU
C
117
−28.497
18.192
66.592
1.00
36.94
C

ATOM
2420
O
LEU
C
117
−28.311
17.284
67.399
1.00
37.86
C

ATOM
2421
N
ARG
C
118
−28.416
18.018
65.280
1.00
33.70
C

ATOM
2422
CA
ARG
C
118
−28.043
16.739
64.710
1.00
32.20
C

ATOM
2423
CB
ARG
C
118
−29.207
16.114
63.939
1.00
36.79
C

ATOM
2424
CG
ARG
C
118
−30.433
15.833
64.767
1.00
42.31
C

ATOM
2425
CD
ARG
C
118
−30.135
14.858
65.894
1.00
43.92
C

ATOM
2426
NE
ARG
C
118
−29.670
13.563
65.403
1.00
43.61
C

ATOM
2427
CZ
ARG
C
118
−29.430
12.523
66.196
1.00
43.50
C

ATOM
2428
NH1
ARG
C
118
−29.611
12.638
67.508
1.00
41.76
C

ATOM
2429
NH2
ARG
C
118
−29.015
11.375
65.683
1.00
40.45
C

ATOM
2430
C
ARG
C
118
−26.901
16.986
63.744
1.00
31.49
C

ATOM
2431
O
ARG
C
118
−27.000
17.857
62.872
1.00
30.15
C

ATOM
2432
N
ASN
C
119
−25.828
16.214
63.900
1.00
30.74
C

ATOM
2433
CA
ASN
C
119
−24.658
16.310
63.037
1.00
29.31
C

ATOM
2434
CB
ASN
C
119
−25.060
16.043
61.589
1.00
29.76
C

ATOM
2435
CG
ASN
C
119
−25.946
14.840
61.466
1.00
29.59
C

ATOM
2436
OD1
ASN
C
119
−25.668
13.800
62.049
1.00
31.99
C

ATOM
2437
ND2
ASN
C
119
−27.030
14.973
60.720
1.00
36.26
C

ATOM
2438
C
ASN
C
119
−24.016
17.669
63.154
1.00
29.76
C

ATOM
2439
O
ASN
C
119
−23.739
18.325
62.156
1.00
31.14
C

ATOM
2440
N
ALA
C
120
−23.776
18.074
64.396
1.00
33.36
C

ATOM
2441
CA
ALA
C
120
−23.186
19.360
64.700
1.00
33.38
C

ATOM
2442
CB
ALA
C
120
−23.869
19.942
65.918
1.00
30.18
C

ATOM
2443
C
ALA
C
120
−21.673
19.281
64.920
1.00
34.62
C

ATOM
2444
O
ALA
C
120
−21.116
20.020
65.723
1.00
38.23
C

ATOM
2445
N
THR
C
121
−21.011
18.383
64.202
1.00
32.90
C

ATOM
2446
CA
THR
C
121
−19.565
18.227
64.311
1.00
32.11
C

ATOM
2447
CB
THR
C
121
−19.170
17.011
65.194
1.00
33.55
C

ATOM
2448
OG1
THR
C
121
−19.897
17.046
66.428
1.00
39.13
C

ATOM
2449
CG2
THR
C
121
−17.686
17.053
65.523
1.00
34.12
C

ATOM
2450
C
THR
C
121
−19.053
17.964
62.905
1.00
32.36
C

ATOM
2451
O
THR
C
121
−19.716
17.286
62.129
1.00
34.28
C

ATOM
2452
N
ALA
C
122
−17.894
18.514
62.561
1.00
30.66
C

ATOM
2453
CA
ALA
C
122
−17.305
18.281
61.247
1.00
28.53
C

ATOM
2454
CB
ALA
C
122
−17.867
19.250
60.232
1.00
31.29
C

ATOM
2455
C
ALA
C
122
−15.806
18.458
61.374
1.00
29.78
C

ATOM
2456
O
ALA
C
122
−15.307
18.857
62.431
1.00
31.82
C

ATOM
2457
N
ALA
C
123
−15.082
18.149
60.305
1.00
29.48
C

ATOM
2458
CA
ALA
C
123
−13.632
18.267
60.309
1.00
27.76
C

ATOM
2459
CB
ALA
C
123
−13.017
16.916
60.121
1.00
26.03
C

ATOM
2460
C
ALA
C
123
−13.143
19.203
59.218
1.00
31.35
C

ATOM
2461
O
ALA
C
123
−13.649
19.178
58.090
1.00
31.70
C

ATOM
2462
N
MET
C
124
−12.160
20.034
59.556
1.00
32.01
C

ATOM
2463
CA
MET
C
124
−11.588
20.953
58.587
1.00
31.64
C

ATOM
2464
CB
MET
C
124
−10.611
21.896
59.271
1.00
34.37
C

ATOM
2465
CG
MET
C
124
−11.250
23.078
59.947
1.00
39.95
C

ATOM
2466
SD
MET
C
124
−11.680
24.376
58.770
1.00
39.87
C

ATOM
2467
CE
MET
C
124
−12.397
25.614
59.948
1.00
37.23
C

ATOM
2468
C
MET
C
124
−10.840
20.168
57.522
1.00
32.06
C

ATOM
2469
O
MET
C
124
−10.089
19.236
57.822
1.00
32.54
C

ATOM
2470
N
LYS
C
125
−11.048
20.542
56.273
1.00
32.84
C

ATOM
2471
CA
LYS
C
125
−10.370
19.901
55.164
1.00
34.78
C

ATOM
2472
CB
LYS
C
125
−11.253
18.816
54.554
1.00
37.64
C

ATOM
2473
CG
LYS
C
125
−10.576
17.957
53.504
1.00
45.47
C

ATOM
2474
CD
LYS
C
125
−11.592
16.990
52.880
1.00
55.83
C

ATOM
2475
CE
LYS
C
125
−10.961
16.058
51.849
1.00
60.58
C

ATOM
2476
NZ
LYS
C
125
−9.988
15.100
52.466
1.00
64.33
C

ATOM
2477
C
LYS
C
125
−10.149
21.033
54.179
1.00
34.20
C

ATOM
2478
O
LYS
C
125
−11.102
21.534
53.587
1.00
32.34
C

ATOM
2479
N
ASN
C
126
−8.898
21.451
54.023
1.00
30.46
C

ATOM
2480
CA
ASN
C
126
−8.589
22.544
53.125
1.00
31.96
C

ATOM
2481
CB
ASN
C
126
−8.947
22.178
51.684
1.00
36.86
C

ATOM
2482
CG
ASN
C
126
−8.154
20.993
51.173
1.00
45.11
C

ATOM
2483
OD1
ASN
C
126
−6.927
20.959
51.285
1.00
48.41
C

ATOM
2484
ND2
ASN
C
126
−8.849
20.012
50.601
1.00
47.56
C

ATOM
2485
C
ASN
C
126
−9.338
23.811
53.537
1.00
31.04
C

ATOM
2486
O
ASN
C
126
−10.034
24.421
52.727
1.00
29.54
C

ATOM
2487
N
GLN
C
127
−9.189
24.183
54.806
1.00
28.27
C

ATOM
2488
CA
GLN
C
127
−9.804
25.380
55.383
1.00
29.05
C

ATOM
2489
CB
GLN
C
127
−9.345
26.647
54.627
1.00
31.06
C

ATOM
2490
CG
GLN
C
127
−7.820
26.870
54.584
1.00
28.27
C

ATOM
2491
CD
GLN
C
127
−7.204
26.988
55.976
1.00
33.30
C

ATOM
2492
OE1
GLN
C
127
−6.353
26.188
56.353
1.00
37.54
C

ATOM
2493
NE2
GLN
C
127
−7.638
27.985
56.744
1.00
34.51
C

ATOM
2494
C
GLN
C
127
−11.326
25.346
55.418
1.00
29.78
C

ATOM
2495
O
GLN
C
127
−11.958
26.327
55.810
1.00
33.17
C

ATOM
2496
N
VAL
C
128
−11.919
24.226
55.018
1.00
27.09
C

ATOM
2497
CA
VAL
C
128
−13.372
24.134
55.000
1.00
26.31
C

ATOM
2498
CB
VAL
C
128
−13.925
24.031
53.552
1.00
26.13
C

ATOM
2499
CG1
VAL
C
128
−15.440
23.846
53.578
1.00
27.65
C

ATOM
2500
CG2
VAL
C
128
−13.553
25.279
52.763
1.00
24.52
C

ATOM
2501
C
VAL
C
128
−13.932
22.966
55.800
1.00
28.20
C

ATOM
2502
O
VAL
C
128
−13.536
21.814
55.620
1.00
27.75
C

ATOM
2503
N
ALA
C
129
−14.861
23.272
56.692
1.00
29.62
C

ATOM
2504
CA
ALA
C
129
−15.492
22.232
57.497
1.00
32.84
C

ATOM
2505
CB
ALA
C
129
−15.454
22.604
58.987
1.00
30.86
C

ATOM
2506
C
ALA
C
129
−16.933
22.099
56.995
1.00
32.34
C

ATOM
2507
O
ALA
C
129
−17.777
22.973
57.233
1.00
32.04
C

ATOM
2508
N
ARG
C
130
−17.193
21.009
56.281
1.00
31.86
C

ATOM
2509
CA
ARG
C
130
−18.507
20.751
55.719
1.00
33.45
C

ATOM
2510
CB
ARG
C
130
−18.361
20.040
54.379
1.00
35.33
C

ATOM
2511
CG
ARG
C
130
−19.665
19.826
53.676
1.00
45.75
C

ATOM
2512
CD
ARG
C
130
−19.479
19.090
52.362
1.00
54.06
C

ATOM
2513
NE
ARG
C
130
−20.756
18.917
51.664
1.00
61.23
C

ATOM
2514
CZ
ARG
C
130
−21.792
18.229
52.143
1.00
63.07
C

ATOM
2515
NH1
ARG
C
130
−21.712
17.637
53.333
1.00
63.02
C

ATOM
2516
NH2
ARG
C
130
−22.913
18.137
51.435
1.00
64.23
C

ATOM
2517
C
ARG
C
130
−19.343
19.895
56.649
1.00
34.66
C

ATOM
2518
O
ARG
C
130
−18.976
18.760
56.944
1.00
35.29
C

ATOM
2519
N
PHE
C
131
−20.460
20.434
57.125
1.00
34.15
C

ATOM
2520
CA
PHE
C
131
−21.327
19.659
58.002
1.00
33.96
C

ATOM
2521
CB
PHE
C
131
−22.112
20.571
58.940
1.00
32.95
C

ATOM
2522
CG
PHE
C
131
−21.249
21.251
59.956
1.00
31.91
C

ATOM
2523
CD1
PHE
C
131
−20.435
22.325
59.589
1.00
29.13
C

ATOM
2524
CD2
PHE
C
131
−21.199
20.781
61.268
1.00
30.24
C

ATOM
2525
CE1
PHE
C
131
−19.584
22.920
60.512
1.00
31.57
C

ATOM
2526
CE2
PHE
C
131
−20.346
21.370
62.206
1.00
34.72
C

ATOM
2527
CZ
PHE
C
131
−19.536
22.444
61.824
1.00
33.05
C

ATOM
2528
C
PHE
C
131
−22.266
18.808
57.178
1.00
35.03
C

ATOM
2529
O
PHE
C
131
−22.851
19.265
56.209
1.00
34.67
C

ATOM
2530
N
ASN
C
132
−22.386
17.550
57.568
1.00
41.65
C

ATOM
2531
CA
ASN
C
132
−23.231
16.596
56.863
1.00
41.54
C

ATOM
2532
CB
ASN
C
132
−22.569
15.211
56.924
1.00
44.92
C

ATOM
2533
CG
ASN
C
132
−23.418
14.136
56.297
1.00
53.89
C

ATOM
2534
OD1
ASN
C
132
−23.853
14.256
55.148
1.00
57.06
C

ATOM
2535
ND2
ASN
C
132
−23.663
13.070
57.047
1.00
58.25
C

ATOM
2536
C
ASN
C
132
−24.633
16.567
57.484
1.00
40.07
C

ATOM
2537
O
ASN
C
132
−24.844
15.998
58.563
1.00
41.33
C

ATOM
2538
N
ASP
C
133
−25.574
17.205
56.798
1.00
34.50
C

ATOM
2539
CA
ASP
C
133
−26.962
17.288
57.234
1.00
35.58
C

ATOM
2540
CB
ASP
C
133
−27.636
15.906
57.173
1.00
37.21
C

ATOM
2541
CG
ASP
C
133
−29.171
15.987
57.256
1.00
43.90
C

ATOM
2542
OD1
ASP
C
133
−29.770
16.831
56.552
1.00
43.63
C

ATOM
2543
OD2
ASP
C
133
−29.784
15.199
58.013
1.00
43.87
C

ATOM
2544
C
ASP
C
133
−27.130
17.878
58.627
1.00
34.54
C

ATOM
2545
O
ASP
C
133
−27.699
17.241
59.512
1.00
33.61
C

ATOM
2546
N
LEU
C
134
−26.629
19.093
58.826
1.00
35.80
C

ATOM
2547
CA
LEU
C
134
−26.767
19.760
60.117
1.00
34.83
C

ATOM
2548
CB
LEU
C
134
−25.970
21.068
60.149
1.00
34.32
C

ATOM
2549
CG
LEU
C
134
−26.262
22.028
61.312
1.00
32.15
C

ATOM
2550
CD1
LEU
C
134
−25.800
21.417
62.604
1.00
26.87
C

ATOM
2551
CD2
LEU
C
134
−25.562
23.352
61.089
1.00
30.03
C

ATOM
2552
C
LEU
C
134
−28.244
20.070
60.254
1.00
34.79
C

ATOM
2553
O
LEU
C
134
−28.860
20.599
59.332
1.00
36.02
C

ATOM
2554
N
ARG
C
135
−28.816
19.739
61.400
1.00
34.48
C

ATOM
2555
CA
ARG
C
135
−30.228
19.990
61.622
1.00
31.38
C

ATOM
2556
CB
ARG
C
135
−31.012
18.685
61.491
1.00
34.23
C

ATOM
2557
CG
ARG
C
135
−32.006
18.652
60.343
1.00
39.58
C

ATOM
2558
CD
ARG
C
135
−32.706
17.314
60.300
1.00
39.03
C

ATOM
2559
NE
ARG
C
135
−31.749
16.258
60.014
1.00
44.15
C

ATOM
2560
CZ
ARG
C
135
−31.725
15.080
60.622
1.00
43.28
C

ATOM
2561
NH1
ARG
C
135
−32.609
14.790
61.565
1.00
42.27
C

ATOM
2562
NH2
ARG
C
135
−30.805
14.192
60.285
1.00
45.32
C

ATOM
2563
C
ARG
C
135
−30.482
20.584
62.992
1.00
30.74
C

ATOM
2564
O
ARG
C
135
−29.874
20.164
63.978
1.00
32.87
C

ATOM
2565
N
PHE
C
136
−31.369
21.575
63.046
1.00
30.05
C

ATOM
2566
CA
PHE
C
136
−31.745
22.201
64.305
1.00
30.91
C

ATOM
2567
CB
PHE
C
136
−32.048
23.692
64.115
1.00
29.30
C

ATOM
2568
CG
PHE
C
136
−30.908
24.465
63.547
1.00
29.53
C

ATOM
2569
CD1
PHE
C
136
−30.594
24.372
62.199
1.00
31.18
C

ATOM
2570
CD2
PHE
C
136
−30.099
25.240
64.372
1.00
29.41
C

ATOM
2571
CE1
PHE
C
136
−29.480
25.036
61.679
1.00
33.45
C

ATOM
2572
CE2
PHE
C
136
−28.993
25.905
63.867
1.00
28.24
C

ATOM
2573
CZ
PHE
C
136
−28.678
25.804
62.519
1.00
30.00
C

ATOM
2574
C
PHE
C
136
−32.996
21.470
64.783
1.00
32.66
C

ATOM
2575
O
PHE
C
136
−34.059
21.590
64.184
1.00
33.06
C

ATOM
2576
N
VAL
C
137
−32.847
20.701
65.854
1.00
34.52
C

ATOM
2577
CA
VAL
C
137
−33.946
19.929
66.427
1.00
37.64
C

ATOM
2578
CB
VAL
C
137
−33.420
18.630
67.080
1.00
37.40
C

ATOM
2579
CG1
VAL
C
137
−34.560
17.881
67.750
1.00
32.20
C

ATOM
2580
CG2
VAL
C
137
−32.741
17.762
66.028
1.00
30.97
C

ATOM
2581
C
VAL
C
137
−34.725
20.723
67.473
1.00
38.54
C

ATOM
2582
O
VAL
C
137
−35.950
20.694
67.486
1.00
41.88
C

ATOM
2583
N
GLY
C
138
−34.011
21.410
68.359
1.00
39.84
C

ATOM
2584
CA
GLY
C
138
−34.658
22.213
69.381
1.00
37.62
C

ATOM
2585
C
GLY
C
138
−35.233
23.470
68.762
1.00
40.04
C

ATOM
2586
O
GLY
C
138
−34.643
24.061
67.867
1.00
42.09
C

ATOM
2587
N
ARG
C
139
−36.392
23.894
69.230
1.00
44.05
C

ATOM
2588
CA
ARG
C
139
−37.007
25.082
68.671
1.00
47.72
C

ATOM
2589
CB
ARG
C
139
−38.529
24.913
68.656
1.00
52.02
C

ATOM
2590
CG
ARG
C
139
−39.122
24.775
70.047
1.00
62.63
C

ATOM
2591
CD
ARG
C
139
−40.624
24.497
70.044
1.00
68.39
C

ATOM
2592
NE
ARG
C
139
−40.983
23.265
69.342
1.00
74.23
C

ATOM
2593
CZ
ARG
C
139
−40.317
22.116
69.428
1.00
77.66
C

ATOM
2594
NH1
ARG
C
139
−39.231
22.020
70.186
1.00
80.47
C

ATOM
2595
NH2
ARG
C
139
−40.748
21.052
68.761
1.00
77.97
C

ATOM
2596
C
ARG
C
139
−36.622
26.312
69.479
1.00
46.26
C

ATOM
2597
O
ARG
C
139
−36.347
26.212
70.668
1.00
44.22
C

ATOM
2598
N
SER
C
140
−36.574
27.467
68.826
1.00
48.51
C

ATOM
2599
CA
SER
C
140
−36.259
28.709
69.519
1.00
51.43
C

ATOM
2600
CB
SER
C
140
−35.452
29.642
68.610
1.00
49.26
C

ATOM
2601
OG
SER
C
140
−36.145
29.940
67.411
1.00
49.43
C

ATOM
2602
C
SER
C
140
−37.590
29.360
69.930
1.00
55.05
C

ATOM
2603
O
SER
C
140
−37.618
30.412
70.567
1.00
55.52
C

ATOM
2604
N
GLY
C
141
−38.689
28.710
69.548
1.00
58.84
C

ATOM
2605
CA
GLY
C
141
−40.024
29.180
69.875
1.00
64.47
C

ATOM
2606
C
GLY
C
141
−40.358
30.628
69.561
1.00
67.78
C

ATOM
2607
O
GLY
C
141
−39.944
31.176
68.537
1.00
69.18
C

ATOM
2608
N
ARG
C
142
−41.135
31.242
70.449
1.00
69.80
C

ATOM
2609
CA
ARG
C
142
−41.542
32.634
70.295
1.00
72.00
C

ATOM
2610
CB
ARG
C
142
−42.778
32.927
71.153
1.00
73.96
C

ATOM
2611
CG
ARG
C
142
−44.031
32.168
70.739
1.00
77.32
C

ATOM
2612
CD
ARG
C
142
−45.174
32.450
71.698
1.00
80.89
C

ATOM
2613
NE
ARG
C
142
−46.401
31.753
71.321
1.00
83.78
C

ATOM
2614
CZ
ARG
C
142
−47.527
31.787
72.028
1.00
85.49
C

ATOM
2615
NH1
ARG
C
142
−47.584
32.484
73.154
1.00
84.05
C

ATOM
2616
NH2
ARG
C
142
−48.598
31.125
71.609
1.00
86.25
C

ATOM
2617
C
ARG
C
142
−40.399
33.540
70.725
1.00
71.62
C

ATOM
2618
O
ARG
C
142
−40.457
34.755
70.546
1.00
71.95
C

ATOM
2619
N
GLY
C
143
−39.362
32.932
71.295
1.00
70.85
C

ATOM
2620
CA
GLY
C
143
−38.207
33.685
71.747
1.00
68.52
C

ATOM
2621
C
GLY
C
143
−37.324
34.171
70.614
1.00
67.12
C

ATOM
2622
O
GLY
C
143
−37.663
34.047
69.435
1.00
67.34
C

ATOM
2623
N
ALA
C
144
−36.177
34.732
70.972
1.00
64.79
C

ATOM
2624
CA
ALA
C
144
−35.252
35.245
69.974
1.00
61.89
C

ATOM
2625
CB
ALA
C
144
−34.090
35.957
70.666
1.00
63.07
C

ATOM
2626
C
ALA
C
144
−34.730
34.120
69.085
1.00
58.43
C

ATOM
2627
O
ALA
C
144
−34.755
32.951
69.464
1.00
57.88
C

ATOM
2628
N
SER
C
145
−34.265
34.474
67.895
1.00
54.22
C

ATOM
2629
CA
SER
C
145
−33.725
33.479
66.988
1.00
51.13
C

ATOM
2630
CB
SER
C
145
−33.501
34.089
65.602
1.00
51.71
C

ATOM
2631
OG
SER
C
145
−32.457
35.044
65.623
1.00
53.53
C

ATOM
2632
C
SER
C
145
−32.396
33.008
67.583
1.00
47.91
C

ATOM
2633
O
SER
C
145
−31.706
33.772
68.252
1.00
48.09
C

ATOM
2634
N
PHE
C
146
−32.045
31.751
67.347
1.00
43.89
C

ATOM
2635
CA
PHE
C
146
−30.808
31.192
67.879
1.00
39.89
C

ATOM
2636
CB
PHE
C
146
−30.653
29.718
67.466
1.00
35.86
C

ATOM
2637
CG
PHE
C
146
−31.558
28.769
68.205
1.00
35.09
C

ATOM
2638
CD1
PHE
C
146
−32.105
27.658
67.551
1.00
33.70
C

ATOM
2639
CD2
PHE
C
146
−31.858
28.966
69.548
1.00
29.93
C

ATOM
2640
CE1
PHE
C
146
−32.937
26.757
68.225
1.00
26.60
C

ATOM
2641
CE2
PHE
C
146
−32.688
28.072
70.227
1.00
31.24
C

ATOM
2642
CZ
PHE
C
146
−33.227
26.962
69.557
1.00
30.73
C

ATOM
2643
C
PHE
C
146
−29.538
31.929
67.472
1.00
38.25
C

ATOM
2644
O
PHE
C
146
−29.459
32.584
66.429
1.00
36.92
C

ATOM
2645
N
THR
C
147
−28.542
31.810
68.335
1.00
37.43
C

ATOM
2646
CA
THR
C
147
−27.238
32.376
68.092
1.00
34.88
C

ATOM
2647
CB
THR
C
147
−26.690
33.113
69.321
1.00
35.55
C

ATOM
2648
OG1
THR
C
147
−27.469
34.286
69.567
1.00
41.56
C

ATOM
2649
CG2
THR
C
147
−25.248
33.505
69.095
1.00
37.91
C

ATOM
2650
C
THR
C
147
−26.383
31.146
67.852
1.00
35.30
C

ATOM
2651
O
THR
C
147
−26.460
30.166
68.610
1.00
31.84
C

ATOM
2652
N
LEU
C
148
−25.597
31.174
66.784
1.00
35.02
C

ATOM
2653
CA
LEU
C
148
−24.728
30.056
66.499
1.00
37.28
C

ATOM
2654
CB
LEU
C
148
−24.467
29.920
65.006
1.00
38.81
C

ATOM
2655
CG
LEU
C
148
−25.489
29.251
64.106
1.00
42.52
C

ATOM
2656
CD1
LEU
C
148
−24.801
28.957
62.782
1.00
44.66
C

ATOM
2657
CD2
LEU
C
148
−26.004
27.961
64.734
1.00
46.30
C

ATOM
2658
C
LEU
C
148
−23.392
30.274
67.188
1.00
38.96
C

ATOM
2659
O
LEU
C
148
−22.838
31.373
67.144
1.00
40.09
C

ATOM
2660
N
THR
C
149
−22.891
29.231
67.841
1.00
35.31
C

ATOM
2661
CA
THR
C
149
−21.591
29.302
68.473
1.00
31.90
C

ATOM
2662
CB
THR
C
149
−21.673
28.973
69.950
1.00
32.28
C

ATOM
2663
OG1
THR
C
149
−22.312
30.056
70.621
1.00
33.54
C

ATOM
2664
CG2
THR
C
149
−20.288
28.793
70.537
1.00
31.41
C

ATOM
2665
C
THR
C
149
−20.735
28.275
67.742
1.00
31.48
C

ATOM
2666
O
THR
C
149
−20.931
27.069
67.869
1.00
32.23
C

ATOM
2667
N
ILE
C
150
−19.805
28.763
66.940
1.00
30.13
C

ATOM
2668
CA
ILE
C
150
−18.941
27.887
66.181
1.00
29.56
C

ATOM
2669
CB
ILE
C
150
−18.665
28.461
64.782
1.00
23.40
C

ATOM
2670
CG2
ILE
C
150
−17.695
27.579
64.043
1.00
18.98
C

ATOM
2671
CG1
ILE
C
150
−19.971
28.570
64.003
1.00
23.80
C

ATOM
2672
CD1
ILE
C
150
−19.857
29.432
62.768
1.00
24.95
C

ATOM
2673
C
ILE
C
150
−17.634
27.748
66.927
1.00
32.46
C

ATOM
2674
O
ILE
C
150
−16.981
28.749
67.240
1.00
30.65
C

ATOM
2675
N
THR
C
151
−17.255
26.508
67.218
1.00
30.98
C

ATOM
2676
CA
THR
C
151
−16.008
26.277
67.915
1.00
30.46
C

ATOM
2677
CB
THR
C
151
−16.240
25.592
69.273
1.00
33.42
C

ATOM
2678
OG1
THR
C
151
−17.228
26.320
70.016
1.00
34.64
C

ATOM
2679
CG2
THR
C
151
−14.952
25.575
70.071
1.00
34.36
C

ATOM
2680
C
THR
C
151
−15.057
25.428
67.088
1.00
30.67
C

ATOM
2681
O
THR
C
151
−15.369
24.304
66.699
1.00
32.02
C

ATOM
2682
N
VAL
C
152
−13.894
25.995
66.810
1.00
30.57
C

ATOM
2683
CA
VAL
C
152
−12.850
25.323
66.060
1.00
30.34
C

ATOM
2684
CB
VAL
C
152
−12.203
26.302
65.073
1.00
30.33
C

ATOM
2685
CG1
VAL
C
152
−11.000
25.663
64.420
1.00
27.83
C

ATOM
2686
CG2
VAL
C
152
−13.244
26.736
64.020
1.00
28.18
C

ATOM
2687
C
VAL
C
152
−11.835
24.850
67.105
1.00
33.29
C

ATOM
2688
O
VAL
C
152
−11.215
25.664
67.796
1.00
35.90
C

ATOM
2689
N
PHE
C
153
−11.668
23.538
67.227
1.00
33.01
C

ATOM
2690
CA
PHE
C
153
−10.764
23.003
68.232
1.00
31.57
C

ATOM
2691
CB
PHE
C
153
−11.254
21.618
68.700
1.00
28.21
C

ATOM
2692
CG
PHE
C
153
−12.533
21.681
69.506
1.00
30.26
C

ATOM
2693
CD1
PHE
C
153
−13.774
21.666
68.876
2.00
28.52
C

ATOM
2694
CD2
PHE
C
153
−12.491
21.884
70.887
1.00
27.37
C

ATOM
2695
CE1
PHE
C
153
−14.947
21.862
69.603
1.00
29.98
C

ATOM
2696
CE2
PHE
C
153
−13.658
22.081
71.623
1.00
30.38
C

ATOM
2697
CZ
PHE
C
153
−14.885
22.073
70.987
1.00
29.04
C

ATOM
2698
C
PHE
C
153
−9.270
22.969
67.940
1.00
32.74
C

ATOM
2699
O
PHE
C
153
−8.679
21.907
67.752
1.00
34.62
C

ATOM
2700
N
THR
C
154
−8.671
24.153
67.893
1.00
32.26
C

ATOM
2701
CA
THR
C
154
−7.228
24.294
67.729
1.00
31.96
C

ATOM
2702
CB
THR
C
154
−6.854
25.569
66.955
1.00
29.50
C

ATOM
2703
OG1
THR
C
154
−7.674
26.650
67.409
1.00
35.13
C

ATOM
2704
CG2
THR
C
154
−7.048
25.383
65.462
1.00
27.83
C

ATOM
2705
C
THR
C
154
−6.785
24.469
69.183
1.00
34.27
C

ATOM
2706
O
THR
C
154
−7.594
24.304
70.102
1.00
34.83
C

ATOM
2707
N
ASN
C
155
−5.526
24.822
69.409
1.00
38.31
C

ATOM
2708
CA
ASN
C
155
−5.038
25.002
70.776
1.00
40.65
C

ATOM
2709
CB
ASN
C
155
−3.975
23.953
71.068
1.00
45.15
C

ATOM
2710
CG
ASN
C
155
−4.535
22.548
71.041
1.00
53.11
C

ATOM
2711
OD1
ASN
C
155
−5.215
22.124
71.985
1.00
54.31
C

ATOM
2712
ND2
ASN
C
155
−4.272
21.816
69.947
1.00
54.44
C

ATOM
2713
C
ASN
C
155
−4.473
26.391
71.044
1.00
37.93
C

ATOM
2714
O
ASN
C
155
−3.416
26.729
70.540
1.00
41.20
C

ATOM
2715
N
CPR
C
156
−5.195
27.233
71.807
1.00
36.86
C

ATOM
2716
CD
CPR
C
156
−4.704
28.577
72.174
1.00
31.25
C

ATOM
2717
CA
CPR
C
156
−6.498
26.973
72.430
1.00
34.34
C

ATOM
2718
CB
CPR
C
156
−6.603
28.103
73.445
1.00
33.09
C

ATOM
2719
CG
CPR
C
156
−5.929
29.238
72.724
1.00
31.00
C

ATOM
2720
C
CPR
C
156
−7.623
27.018
71.369
1.00
36.18
C

ATOM
2721
O
CPR
C
156
−7.388
27.393
70.208
1.00
32.78
C

ATOM
2722
N
PRO
C
157
−8.859
26.652
71.755
1.00
34.60
C

ATOM
2723
CD
PRO
C
157
−9.348
26.256
73.082
1.00
34.64
C

ATOM
2724
CA
PRO
C
157
−9.958
26.670
70.789
1.00
32.99
C

ATOM
2725
CB
PRO
C
157
−11.154
26.157
71.598
1.00
31.57
C

ATOM
2726
CG
PRO
C
157
−10.531
25.402
72.726
1.00
36.98
C

ATOM
2727
C
PRO
C
157
−10.219
28.067
70.268
1.00
31.65
C

ATOM
2728
O
PRO
C
157
−9.872
29.047
70.913
1.00
33.19
C

ATOM
2729
N
GLN
C
158
−10.826
28.149
69.092
1.00
30.63
C

ATOM
2730
CA
GLN
C
158
−11.199
29.436
68.525
1.00
29.88
C

ATOM
2731
CB
GLN
C
158
−10.587
29.608
67.134
1.00
29.95
C

ATOM
2732
CG
GLN
C
158
−9.059
29.679
67.149
1.00
29.44
C

ATOM
2733
CD
GLN
C
158
−8.469
29.844
65.759
1.00
33.68
C

ATOM
2734
OE1
GLN
C
158
−8.689
30.861
65.094
1.00
31.91
C

ATOM
2735
NE2
GLN
C
158
−7.721
28.837
65.306
1.00
34.25
C

ATOM
2736
C
GLN
C
158
−12.731
29.384
68.465
1.00
31.04
C

ATOM
2737
O
GLN
C
158
−13.319
28.386
68.047
1.00
30.16
C

ATOM
2738
N
VAL
C
159
−13.375
30.442
68.934
1.00
30.80
C

ATOM
2739
CA
VAL
C
159
−14.827
30.502
68.956
1.00
27.00
C

ATOM
2740
CB
VAL
C
159
−15.349
30.670
70.378
1.00
28.10
C

ATOM
2741
CG1
VAL
C
159
−16.872
30.717
70.370
1.00
24.62
C

ATOM
2742
CG2
VAL
C
159
−14.820
29.536
71.255
1.00
29.13
C

ATOM
2743
C
VAL
C
159
−15.349
31.660
68.137
1.00
27.97
C

ATOM
2744
O
VAL
C
159
−14.871
32.792
68.251
1.00
27.57
C

ATOM
2745
N
ALA
C
160
−16.339
31.360
67.308
1.00
26.03
C

ATOM
2746
CA
ALA
C
160
−16.952
32.355
66.461
1.00
26.93
C

ATOM
2747
CB
ALA
C
160
−16.658
32.049
65.017
1.00
25.07
C

ATOM
2748
C
ALA
C
160
−18.445
32.309
66.701
1.00
28.90
C

ATOM
2749
O
ALA
C
160
−19.041
31.242
66.692
1.00
30.05
C

ATOM
2750
N
THR
C
161
−19.052
33.462
66.940
1.00
30.90
C

ATOM
2751
CA
THR
C
161
−20.489
33.499
67.140
1.00
29.65
C

ATOM
2752
CB
THR
C
161
−20.903
34.316
68.385
1.00
27.74
C

ATOM
2753
OG1
THR
C
161
−20.343
35.627
68.313
1.00
30.29
C

ATOM
2754
CG2
THR
C
161
−20.441
33.628
69.640
1.00
28.26
C

ATOM
2755
C
THR
C
161
−21.131
34.095
65.903
1.00
28.92
C

ATOM
2756
O
THR
C
161
−20.467
34.728
65.084
1.00
27.33
C

ATOM
2757
N
TYR
C
162
−22.430
33.861
65.786
1.00
30.38
C

ATOM
2758
CA
TYR
C
162
−23.252
34.314
64.678
1.00
32.56
C

ATOM
2759
CB
TYR
C
162
−23.277
33.195
63.635
1.00
36.78
C

ATOM
2760
CG
TYR
C
162
−24.112
33.397
62.387
1.00
45.90
C

ATOM
2761
CD1
TYR
C
162
−24.421
32.297
61.575
1.00
47.99
C

ATOM
2762
CE1
TYR
C
162
−25.162
32.434
60.411
1.00
51.64
C

ATOM
2763
CD2
TYR
C
162
−24.574
34.659
61.997
1.00
46.21
C

ATOM
2764
CE2
TYR
C
162
−25.323
34.812
60.823
1.00
51.49
C

ATOM
2765
CZ
TYR
C
162
−25.612
33.688
60.033
1.00
54.89
C

ATOM
2766
OH
TYR
C
162
−26.337
33.792
58.857
1.00
55.83
C

ATOM
2767
C
TYR
C
162
−24.626
34.509
65.326
1.00
33.25
C

ATOM
2768
O
TYR
C
162
−25.388
33.548
65.468
1.00
32.90
C

ATOM
2769
N
HIS
C
163
−24.917
35.740
65.746
1.00
31.28
C

ATOM
2770
CA
HIS
C
163
−26.189
36.073
66.399
1.00
34.00
C

ATOM
2771
CB
HIS
C
163
−26.063
37.367
67.210
1.00
36.61
C

ATOM
2772
CG
HIS
C
163
−25.039
37.301
68.299
1.00
37.87
C

ATOM
2773
CD2
HIS
C
163
−25.160
37.018
69.617
1.00
38.98
C

ATOM
2774
ND1
HIS
C
163
−23.690
37.452
68.062
1.00
40.16
C

ATOM
2775
CE1
HIS
C
163
−23.023
37.259
69.186
1.00
41.31
C

ATOM
2776
NE2
HIS
C
163
−23.892
36.993
70.144
1.00
42.08
C

ATOM
2777
C
HIS
C
163
−27.336
36.224
65.412
1.00
35.43
C

ATOM
2778
O
HIS
C
163
−27.117
36.539
64.239
1.00
33.12
C

ATOM
2779
N
ARG
C
164
−28.557
36.009
65.903
1.00
38.60
C

ATOM
2780
CA
ARG
C
164
−29.763
36.099
65.076
1.00
41.71
C

ATOM
2781
CB
ARG
C
164
−30.013
37.544
64.642
1.00
48.15
C

ATOM
2782
CG
ARG
C
164
−30.006
38.582
65.751
1.00
56.48
C

ATOM
2783
CD
ARG
C
164
−29.960
39.970
65.120
1.00
65.82
C

ATOM
2784
NE
ARG
C
164
−29.912
41.050
66.103
1.00
74.97
C

ATOM
2785
CZ
ARG
C
164
−29.835
42.344
65.791
1.00
76.67
C

ATOM
2786
NH1
ARG
C
164
−29.798
42.723
64.520
1.00
76.31
C

ATOM
2787
NH2
ARG
C
164
−29.799
43.261
66.750
1.00
76.70
C

ATOM
2788
C
ARG
C
164
−29.558
35.252
63.829
1.00
38.09
C

ATOM
2789
O
ARG
C
164
−29.961
35.640
62.739
1.00
38.70
C

ATOM
2790
N
ALA
C
165
−28.924
34.100
63.990
1.00
35.94
C

ATOM
2791
CA
ALA
C
165
−28.632
33.243
62.852
1.00
36.52
C

ATOM
2792
CB
ALA
C
165
−27.610
32.180
63.244
1.00
35.18
C

ATOM
2793
C
ALA
C
165
−29.846
32.580
62.238
1.00
36.86
C

ATOM
2794
O
ALA
C
165
−29.998
32.569
61.018
1.00
37.95
C

ATOM
2795
N
ILE
C
166
−30.718
32.038
63.077
1.00
36.60
C

ATOM
2796
CA
ILE
C
166
−31.880
31.343
62.564
1.00
35.26
C

ATOM
2797
CB
ILE
C
166
−31.431
29.976
61.994
1.00
35.79
C

ATOM
2798
CG2
ILE
C
166
−30.664
29.194
63.060
1.00
31.10
C

ATOM
2799
CG1
ILE
C
166
−32.631
29.186
61.485
1.00
35.25
C

ATOM
2800
CD1
ILE
C
166
−32.245
27.865
60.856
1.00
38.70
C

ATOM
2801
C
ILE
C
166
−33.010
31.136
63.578
1.00
35.18
C

ATOM
2802
O
ILE
C
166
−32.775
30.902
64.762
1.00
33.01
C

ATOM
2803
N
LYS
C
167
−34.245
31.248
63.100
1.00
35.63
C

ATOM
2804
CA
LYS
C
167
−35.417
31.032
63.941
1.00
34.27
C

ATOM
2805
CB
LYS
C
167
−36.522
32.039
63.607
1.00
36.54
C

ATOM
2806
CG
LYS
C
167
−37.760
31.875
64.465
1.00
46.00
C

ATOM
2807
CD
LYS
C
167
−38.946
32.704
63.975
1.00
48.30
C

ATOM
2808
CE
LYS
C
167
−40.159
32.455
64.873
1.00
55.36
C

ATOM
2809
NZ
LYS
C
167
−41.365
33.277
64.554
1.00
58.81
C

ATOM
2810
C
LYS
C
167
−35.879
29.603
63.639
1.00
33.90
C

ATOM
2811
O
LYS
C
167
−35.968
29.196
62.482
1.00
27.13
C

ATOM
2812
N
ILE
C
168
−36.144
28.835
64.686
1.00
33.58
C

ATOM
2813
CA
ILE
C
168
−36.564
27.453
64.523
1.00
32.54
C

ATOM
2814
CB
ILE
C
168
−35.497
26.495
65.105
1.00
33.53
C

ATOM
2815
CG2
ILE
C
168
−36.015
25.050
65.086
1.00
30.35
C

ATOM
2816
CG1
ILE
C
168
−34.181
26.637
64.321
1.00
32.41
C

ATOM
2817
CD1
ILE
C
168
−34.219
26.074
62.893
1.00
28.41
C

ATOM
2818
C
ILE
C
168
−37.890
27.223
65.236
1.00
33.87
C

ATOM
2819
O
ILE
C
168
−37.984
27.377
66.459
1.00
35.02
C

ATOM
2820
N
THR
C
169
−38.917
26.865
64.475
1.00
30.22
C

ATOM
2821
CA
THR
C
169
−40.231
26.605
65.062
1.00
31.80
C

ATOM
2822
CB
THR
C
169
−41.285
27.668
64.641
1.00
32.01
C

ATOM
2823
OG1
THR
C
169
−41.416
27.689
63.212
1.00
34.75
C

ATOM
2824
CG2
THR
C
169
−40.879
29.050
65.129
1.00
30.40
C

ATOM
2825
C
THR
C
169
−40.699
25.239
64.603
1.00
31.70
C

ATOM
2826
O
THR
C
169
−40.129
24.673
63.674
1.00
29.33
C

ATOM
2827
N
VAL
C
170
−41.726
24.709
65.258
1.00
32.42
C

ATOM
2828
CA
VAL
C
170
−42.255
23.400
64.905
1.00
37.98
C

ATOM
2829
CB
VAL
C
170
−43.406
22.959
65.856
1.00
42.41
C

ATOM
2830
CG1
VAL
C
170
−43.865
21.553
65.503
1.00
41.99
C

ATOM
2831
CG2
VAL
C
170
−42.941
22.994
67.301
1.00
44.49
C

ATOM
2832
C
VAL
C
170
−42.777
23.370
63.478
1.00
38.87
C

ATOM
2833
O
VAL
C
170
−42.601
22.382
62.773
1.00
37.76
C

ATOM
2834
N
ASP
C
171
−43.412
24.448
63.037
1.00
42.37
C

ATOM
2835
CA
ASP
C
171
−43.944
24.461
61.680
1.00
46.42
C

ATOM
2836
CB
ASP
C
171
−45.284
25.204
61.629
1.00
47.98
C

ATOM
2837
CG
ASP
C
171
−46.346
24.561
62.498
1.00
53.83
C

ATOM
2838
OD1
ASP
C
171
−46.434
23.312
62.526
1.00
56.54
C

ATOM
2839
OD2
ASP
C
171
−47.107
25.311
63.146
1.00
58.56
C

ATOM
2840
C
ASP
C
171
−42.989
25.080
60.670
1.00
46.43
C

ATOM
2841
O
ASP
C
171
−42.985
24.708
59.498
1.00
46.56
C

ATOM
2842
N
GLY
C
172
−42.174
26.021
61.132
1.00
46.92
C

ATOM
2843
CA
GLY
C
172
−41.252
26.685
60.236
1.00
46.93
C

ATOM
2844
C
GLY
C
172
−42.034
27.647
59.366
1.00
48.69
C

ATOM
2845
O
GLY
C
172
−43.213
27.890
59.625
1.00
45.44
C

ATOM
2846
N
PRO
C
173
−41.411
28.219
58.329
1.00
51.27
C

ATOM
2847
CD
PRO
C
173
−40.021
28.034
57.878
1.00
50.98
C

ATOM
2848
CA
PRO
C
173
−42.120
29.154
57.454
1.00
56.17
C

ATOM
2849
CB
PRO
C
173
−40.989
29.761
56.628
1.00
53.10
C

ATOM
2850
CG
PRO
C
173
−40.054
28.617
56.480
1.00
49.25
C

ATOM
2851
C
PRO
C
173
−43.156
28.422
56.597
1.00
62.42
C

ATOM
2852
O
PRO
C
173
−43.326
27.205
56.727
1.00
62.94
C

ATOM
2853
N
ARG
C
174
−43.835
29.166
55.725
1.00
69.93
C

ATOM
2854
CA
ARG
C
174
−44.858
28.604
54.837
1.00
76.32
C

ATOM
2855
CB
ARG
C
174
−46.159
29.399
54.968
1.00
77.16
C

ATOM
2856
CG
ARG
C
174
−46.554
29.715
56.399
1.00
81.72
C

ATOM
2857
CD
ARG
C
174
−47.685
30.734
56.444
1.00
85.13
C

ATOM
2858
NE
ARG
C
174
−47.872
31.265
57.792
1.00
87.59
C

ATOM
2859
CZ
ARG
C
174
−48.687
32.270
58.099
1.00
88.15
C

ATOM
2860
NH1
ARG
C
174
−49.405
32.866
57.154
1.00
88.50
C

ATOM
2861
NH2
ARG
C
174
−48.773
32.685
59.356
1.00
87.76
C

ATOM
2862
C
ARG
C
174
−44.410
28.648
53.378
1.00
79.86
C

ATOM
2863
O
ARG
C
174
−43.251
28.933
53.083
1.00
79.65
C

ATOM
2864
N
GLU
C
175
−45.357
28.359
52.488
1.00
85.68
C

ATOM
2865
CA
GLU
C
175
−45.184
28.370
51.032
1.00
91.53
C

ATOM
2866
CB
GLU
C
175
−45.301
29.809
50.517
1.00
92.84
C

ATOM
2867
CG
GLU
C
175
−46.175
30.717
51.359
1.00
96.02
C

ATOM
2868
CD
GLU
C
175
−45.984
32.171
50.988
1.00
98.68
C

ATOM
2869
OE1
GLU
C
175
−44.818
32.625
50.958
1.00
98.81
C

ATOM
2870
OE2
GLU
C
175
−46.992
32.862
50.732
1.00
101.11
C

ATOM
2871
C
GLU
C
175
−43.942
27.688
50.415
1.00
95.17
C

ATOM
2872
O
GLU
C
175
−43.977
26.485
50.163
1.00
96.71
C

ATOM
2873
N
PRO
C
176
−42.836
28.434
50.165
1.00
98.10
C

ATOM
2874
CD
PRO
C
176
−42.500
29.767
50.713
1.00
98.53
C

ATOM
2875
CA
PRO
C
176
−41.631
27.835
49.569
1.00
99.90
C

ATOM
2876
CB
PRO
C
176
−40.512
28.568
50.289
1.00
100.80
C

ATOM
2877
CG
PRO
C
176
−41.050
29.962
50.284
1.00
100.77
C

ATOM
2878
C
PRO
C
176
−41.472
26.313
49.613
1.00
101.27
C

ATOM
2879
O
PRO
C
176
−42.032
25.610
48.773
1.00
100.74
C

ATOM
2880
N
ARG
C
177
−40.692
25.817
50.574
1.00
103.49
C

ATOM
2881
CA
ARG
C
177
−40.448
24.379
50.749
1.00
104.61
C

ATOM
2882
CB
ARG
C
177
−40.209
23.695
49.395
1.00
106.93
C

ATOM
2883
CG
ARG
C
177
−39.238
24.421
48.479
1.00
109.34
C

ATOM
2884
CD
ARG
C
177
−39.044
23.652
47.184
1.00
111.71
C

ATOM
2885
NE
ARG
C
177
−38.327
24.434
46.180
1.00
113.33
C

ATOM
2886
CZ
ARG
C
177
−38.003
23.986
44.970
1.00
113.79
C

ATOM
2887
NH1
ARG
C
177
−38.327
22.752
44.605
1.00
114.52
C

ATOM
2888
NH2
ARG
C
177
−37.359
24.774
44.121
1.00
113.88
C

ATOM
2889
C
ARG
C
177
−39.261
24.112
51.675
1.00
103.63
C

ATOM
2890
O
ARG
C
177
−39.271
24.525
52.834
1.00
102.56
C

ATOM
2891
N
GLY
C
178
−38.243
23.422
51.165
1.00
102.94
C

ATOM
2892
CA
GLY
C
178
−37.076
23.128
51.978
1.00
102.65
C

ATOM
2893
C
GLY
C
178
−35.894
22.525
51.239
1.00
101.95
C

ATOM
2894
OT1
GLY
C
178
−35.417
21.448
51.659
1.00
101.09
C

ATOM
2895
OT2
GLY
C
178
−35.430
23.130
50.250
1.00
101.36
C

ATOM
2896
CB
PRO
D
2
−5.292
30.702
65.460
1.00
52.27
D

ATOM
2897
CG
PRO
D
2
−4.693
29.924
66.647
1.00
48.76
D

ATOM
2898
C
PRO
D
2
−4.924
33.088
64.680
1.00
46.61
D

ATOM
2899
O
PRO
D
2
−4.346
33.598
63.717
1.00
56.06
D

ATOM
2900
N
PRO
D
2
−3.858
32.123
66.739
1.00
47.77
D

ATOM
2901
CD
PRO
D
2
−4.279
31.031
67.638
1.00
45.88
D

ATOM
2902
CA
PRO
D
2
−4.316
31.856
65.361
1.00
45.72
D

ATOM
2903
N
ARG
D
3
−6.073
33.583
65.131
1.00
39.26
D

ATOM
2904
CA
ARG
D
3
−6.598
34.796
64.496
1.00
33.81
D

ATOM
2905
CB
ARG
D
3
−7.497
34.483
63.316
1.00
36.56
D

ATOM
2906
CG
ARG
D
3
−7.703
35.662
62.394
1.00
29.67
D

ATOM
2907
CD
ARG
D
3
−6.404
35.920
61.683
1.00
39.45
D

ATOM
2908
NE
ARG
D
3
−6.453
37.097
60.832
1.00
42.92
D

ATOM
2909
CZ
ARG
D
3
−7.346
37.272
59.870
1.00
45.83
D

ATOM
2910
NH1
ARG
D
3
−8.268
36.347
59.636
1.00
43.30
D

ATOM
2911
NH2
ARG
D
3
−7.316
38.376
59.144
1.00
47.57
D

ATOM
2912
C
ARG
D
3
−7.337
35.737
65.423
1.00
32.64
D

ATOM
2913
O
ARG
D
3
−8.282
35.363
66.123
1.00
30.04
D

ATOM
2914
N
VAL
D
4
−6.916
36.990
65.381
1.00
29.44
D

ATOM
2915
CA
VAL
D
4
−7.480
37.999
66.244
1.00
26.58
D

ATOM
2916
CB
VAL
D
4
−6.520
38.227
67.414
1.00
21.86
D

ATOM
2917
CG1
VAL
D
4
−6.331
36.925
68.192
1.00
13.19
D

ATOM
2918
CG2
VAL
D
4
−5.162
38.661
66.868
1.00
23.56
D

ATOM
2919
C
VAL
D
4
−7.673
39.298
65.482
1.00
26.33
D

ATOM
2920
O
VAL
D
4
−7.024
39.524
64.474
1.00
28.70
D

ATOM
2921
N
VAL
D
5
−8.585
40.139
65.955
1.00
29.69
D

ATOM
2922
CA
VAL
D
5
−8.820
41.437
65.342
1.00
32.32
D

ATOM
2923
CB
VAL
D
5
−9.999
42.122
65.990
1.00
29.86
D

ATOM
2924
CG1
VAL
D
5
−11.249
41.280
65.822
1.00
26.92
D

ATOM
2925
CG2
VAL
D
5
−9.695
42.334
67.459
1.00
29.50
D

ATOM
2926
C
VAL
D
5
−7.545
42.206
65.688
1.00
37.11
D

ATOM
2927
O
VAL
D
5
−6.834
41.809
66.603
1.00
38.36
D

ATOM
2928
N
PRO
D
6
−7.232
43.299
64.965
1.00
40.76
D

ATOM
2929
CD
PRO
D
6
−7.927
43.843
63.788
1.00
41.67
D

ATOM
2930
CA
PRO
D
6
−6.010
44.072
65.252
1.00
44.89
D

ATOM
2931
CB
PRO
D
6
−6.004
45.145
64.162
1.00
43.45
D

ATOM
2932
CG
PRO
D
6
−7.444
45.267
63.774
1.00
46.28
D

ATOM
2933
C
PRO
D
6
−5.858
44.661
66.663
1.00
48.66
D

ATOM
2934
O
PRO
D
6
−4.759
44.655
67.226
1.00
50.43
D

ATOM
2935
N
ASP
D
7
−6.950
45.155
67.241
1.00
49.36
D

ATOM
2936
CA
ASP
D
7
−6.888
45.721
68.581
1.00
48.13
D

ATOM
2937
CB
ASP
D
7
−7.271
47.199
68.514
1.00
53.05
D

ATOM
2938
CG
ASP
D
7
−7.185
47.897
69.860
1.00
58.19
D

ATOM
2939
OD1
ASP
D
7
−6.548
47.357
70.795
1.00
55.76
D

ATOM
2940
OD2
ASP
D
7
−7.753
49.006
69.968
1.00
61.95
D

ATOM
2941
C
ASP
D
7
−7.809
44.952
69.537
1.00
47.09
D

ATOM
2942
O
ASP
D
7
−8.892
45.426
69.909
1.00
47.05
D

ATOM
2943
N
GLN
D
8
−7.362
43.761
69.931
1.00
42.57
D

ATOM
2944
CA
GLN
D
8
−8.124
42.897
70.824
1.00
42.76
D

ATOM
2945
CB
GLN
D
8
−7.289
41.691
71.259
1.00
39.32
D

ATOM
2946
CG
GLN
D
8
−7.027
40.687
70.164
1.00
35.60
D

ATOM
2947
CD
GLN
D
8
−6.088
39.592
70.607
1.00
41.78
D

ATOM
2948
OE1
GLN
D
8
−6.366
38.852
71.567
1.00
42.74
D

ATOM
2949
NE2
GLN
D
8
−4.956
39.479
69.917
1.00
39.94
D

ATOM
2950
C
GLN
D
8
−8.662
43.590
72.061
1.00
45.21
D

ATOM
2951
O
GLN
D
8
−9.877
43.731
72.206
1.00
49.07
D

ATOM
2952
N
ARG
D
9
−7.767
44.018
72.952
1.00
47.40
D

ATOM
2953
CA
ARG
D
9
−8.170
44.678
74.199
1.00
47.57
D

ATOM
2954
CB
ARG
D
9
−6.955
45.275
74.916
1.00
47.64
D

ATOM
2955
CG
ARG
D
9
−7.276
46.465
75.817
1.00
51.19
D

ATOM
2956
CD
ARG
D
9
−6.061
46.916
76.643
1.00
48.34
D

ATOM
2957
NE
ARG
D
9
−6.061
46.283
77.955
1.00
48.89
D

ATOM
2958
CZ
ARG
D
9
−5.070
45.539
78.437
1.00
54.12
D

ATOM
2959
NH1
ARG
D
9
−3.967
45.321
77.727
1.00
55.02
D

ATOM
2960
NH2
ARG
D
9
−5.197
44.983
79.630
1.00
54.27
D

ATOM
2961
C
ARG
D
9
−9.242
45.747
74.033
1.00
45.82
D

ATOM
2962
O
ARG
D
9
−10.171
45.821
74.837
1.00
46.48
D

ATOM
2963
N
SER
D
10
−9.138
46.565
72.994
1.00
42.59
D

ATOM
2964
CA
SER
D
10
−10.140
47.601
72.806
1.00
44.38
D

ATOM
2965
CB
SER
D
10
−9.712
48.576
71.719
1.00
44.30
D

ATOM
2966
OG
SER
D
10
−10.715
49.556
71.529
1.00
48.10
D

ATOM
2967
C
SER
D
10
−11.517
47.030
72.475
1.00
44.71
D

ATOM
2968
O
SER
D
10
−12.541
47.576
72.890
1.00
41.68
D

ATOM
2969
N
LYS
D
11
−11.554
45.939
71.715
1.00
45.68
D

ATOM
2970
CA
LYS
D
11
−12.835
45.338
71.382
1.00
42.24
D

ATOM
2971
CB
LYS
D
11
−12.658
44.259
70.324
1.00
40.36
D

ATOM
2972
CG
LYS
D
11
−13.959
43.605
69.938
1.00
39.06
D

ATOM
2973
CD
LYS
D
11
−13.795
42.642
68.777
1.00
40.91
D

ATOM
2974
CE
LYS
D
11
−15.152
42.111
68.367
1.00
38.35
D

ATOM
2975
NZ
LYS
D
11
−15.035
41.130
67.279
1.00
37.77
D

ATOM
2976
C
LYS
D
11
−13.444
44.739
72.655
1.00
40.49
D

ATOM
2977
O
LYS
D
11
−14.638
44.892
72.914
1.00
41.05
D

ATOM
2978
N
PHE
D
12
−12.609
44.076
73.450
1.00
38.47
D

ATOM
2979
CA
PHE
D
12
−13.037
43.458
74.705
1.00
41.22
D

ATOM
2980
CB
PHE
D
12
−11.866
42.701
75.336
1.00
40.33
D

ATOM
2981
CG
PHE
D
12
−12.244
41.904
76.552
1.00
41.28
D

ATOM
2982
CD1
PHE
D
12
−12.565
40.557
76.441
1.00
39.90
D

ATOM
2983
CD2
PHE
D
12
−12.304
42.511
77.810
1.00
41.55
D

ATOM
2984
CE1
PHE
D
12
−12.944
39.820
77.565
1.00
40.16
D

ATOM
2985
CE2
PHE
D
12
−12.679
41.789
78.936
1.00
38.30
D

ATOM
2986
CZ
PHE
D
12
−13.000
40.440
78.814
1.00
42.29
D

ATOM
2987
C
PHE
D
12
−13.572
44.478
75.719
1.00
41.82
D

ATOM
2988
O
PHE
D
12
−14.441
44.162
76.534
1.00
40.78
D

ATOM
2989
N
GLU
D
13
−13.044
45.697
75.671
1.00
45.34
D

ATOM
2990
CA
GLU
D
13
−13.464
46.749
76.592
1.00
47.95
D

ATOM
2991
CB
GLU
D
13
−12.305
47.714
76.873
1.00
51.79
D

ATOM
2992
CG
GLU
D
13
−11.192
47.150
77.756
1.00
56.27
D

ATOM
2993
CD
GLU
D
13
−10.047
48.138
77.976
1.00
58.98
D

ATOM
2994
OE1
GLU
D
13
−10.107
49.267
77.436
1.00
56.25
D

ATOM
2995
OE2
GLU
D
13
−9.086
47.776
78.692
1.00
59.82
D

ATOM
2996
C
GLU
D
13
−14.646
47.557
76.089
1.00
47.78
D

ATOM
2997
O
GLU
D
13
−15.429
48.075
76.887
1.00
46.36
D

ATOM
2998
N
ASN
D
14
−14.790
47.638
74.768
1.00
47.49
D

ATOM
2999
CA
ASN
D
14
−15.849
48.442
74.188
1.00
45.52
D

ATOM
3000
CB
ASN
D
14
−15.239
49.417
73.171
1.00
48.00
D

ATOM
3001
CG
ASN
D
14
−14.030
50.160
73.727
1.00
49.24
D

ATOM
3002
OD1
ASN
D
14
−14.017
50.552
74.889
1.00
49.07
D

ATOM
3003
ND2
ASN
D
14
−13.012
50.362
72.893
1.00
49.54
D

ATOM
3004
C
ASN
D
14
−17.061
47.765
73.564
1.00
46.07
D

ATOM
3005
O
ASN
D
14
−18.084
48.427
73.391
1.00
46.79
D

ATOM
3006
N
GLU
D
15
−16.983
46.482
73.208
1.00
46.51
D

ATOM
3007
CA
GLU
D
15
−18.158
45.834
72.608
1.00
45.54
D

ATOM
3008
CB
GLU
D
15
−17.756
44.757
71.589
1.00
51.10
D

ATOM
3009
CG
GLU
D
15
−18.848
44.407
70.513
1.00
54.30
D

ATOM
3010
CD
GLU
D
15
−20.321
44.511
71.010
1.00
59.14
D

ATOM
3011
OE1
GLU
D
15
−20.793
45.644
71.287
1.00
63.53
D

ATOM
3012
OE2
GLU
D
15
−21.015
43.473
71.120
1.00
52.39
D

ATOM
3013
C
GLU
D
15
−19.070
45.205
73.663
1.00
44.72
D

ATOM
3014
O
GLU
D
15
−18.625
44.440
74.521
1.00
43.99
D

ATOM
3015
N
GLU
D
16
−20.350
45.544
73.586
1.00
43.25
D

ATOM
3016
CA
GLU
D
16
−21.359
45.029
74.496
1.00
47.57
D

ATOM
3017
CB
GLU
D
16
−22.751
45.394
73.957
1.00
53.03
D

ATOM
3018
CG
GLU
D
16
−23.917
44.813
74.750
1.00
63.96
D

ATOM
3019
CD
GLU
D
16
−25.280
45.085
74.108
1.00
72.90
D

ATOM
3020
OE1
GLU
D
16
−25.487
44.702
72.928
1.00
73.75
D

ATOM
3021
OE2
GLU
D
16
−26.147
45.679
74.793
1.00
76.33
D

ATOM
3022
C
GLU
D
16
−21.246
43.507
74.696
1.00
46.41
D

ATOM
3023
O
GLU
D
16
−21.428
42.995
75.803
1.00
44.71
D

ATOM
3024
N
PHE
D
17
−20.935
42.784
73.626
1.00
45.23
D

ATOM
3025
CA
PHE
D
17
−20.824
41.342
73.731
1.00
43.26
D

ATOM
3026
CB
PHE
D
17
−20.390
40.723
72.400
1.00
41.80
D

ATOM
3027
CG
PHE
D
17
−20.207
39.237
72.469
1.00
38.73
D

ATOM
3028
CD1
PHE
D
17
−21.305
38.397
72.541
1.00
36.31
D

ATOM
3029
CD2
PHE
D
17
−18.930
38.683
72.526
1.00
38.69
D

ATOM
3030
CE1
PHE
D
17
−21.144
37.013
72.674
1.00
36.88
D

ATOM
3031
CE2
PHE
D
17
−18.753
37.306
72.658
1.00
39.55
D

ATOM
3032
CZ
PHE
D
17
−19.871
36.466
72.733
1.00
39.32
D

ATOM
3033
C
PHE
D
17
−19.850
40.910
74.827
1.00
43.33
D

ATOM
3034
O
PHE
D
17
−20.133
39.968
75.565
1.00
44.76
D

ATOM
3035
N
PHE
D
18
−18.703
41.579
74.925
1.00
41.85
D

ATOM
3036
CA
PHE
D
18
−17.712
41.229
75.942
1.00
39.93
D

ATOM
3037
CB
PHE
D
18
−16.290
41.551
75.459
1.00
39.83
D

ATOM
3038
CG
PHE
D
18
−15.816
40.680
74.336
1.00
33.33
D

ATOM
3039
CD1
PHE
D
18
−15.962
41.086
73.019
1.00
30.99
D

ATOM
3040
CD2
PHE
D
18
−15.254
39.438
74.602
1.00
29.30
D

ATOM
3041
CE1
PHE
D
18
−15.560
40.271
71.972
1.00
31.50
D

ATOM
3042
CE2
PHE
D
18
−14.845
38.611
73.572
1.00
32.58
D

ATOM
3043
CZ
PHE
D
18
−15.000
39.030
72.244
1.00
34.37
D

ATOM
3044
C
PHE
D
18
−17.950
41.930
77.276
1.00
40.89
D

ATOM
3045
O
PHE
D
18
−17.563
41.423
78.330
1.00
35.27
D

ATOM
3046
N
ARG
D
19
−18.584
43.097
77.228
1.00
44.33
D

ATOM
3047
CA
ARG
D
19
−18.852
43.845
78.447
1.00
48.14
D

ATOM
3048
CB
ARG
D
19
−19.381
45.243
78.116
1.00
52.14
D

ATOM
3049
CG
ARG
D
19
−18.485
46.007
77.150
1.00
60.23
D

ATOM
3050
CD
ARG
D
19
−18.893
47.456
76.987
1.00
62.72
D

ATOM
3051
NE
ARG
D
19
−18.406
48.277
78.087
1.00
70.79
D

ATOM
3052
CZ
ARG
D
19
−18.412
49.606
78.083
1.00
74.77
D

ATOM
3053
NH1
ARG
D
19
−18.884
50.268
77.031
1.00
74.83
D

ATOM
3054
NH2
ARG
D
19
−17.939
50.275
79.126
1.00
76.79
D

ATOM
3055
C
ARG
D
19
−19.858
43.104
79.300
1.00
49.93
D

ATOM
3056
O
ARG
D
19
−19.628
42.884
80.494
1.00
50.25
D

ATOM
3057
N
LYS
D
20
−20.971
42.709
78.683
1.00
49.87
D

ATOM
3058
CA
LYS
D
20
−22.023
41.990
79.397
1.00
49.53
D

ATOM
3059
CB
LYS
D
20
−23.183
41.673
78.447
1.00
51.70
D

ATOM
3060
CG
LYS
D
20
−23.710
42.891
77.700
1.00
56.47
D

ATOM
3061
CD
LYS
D
20
−24.831
42.527
76.742
1.00
61.12
D

ATOM
3062
CE
LYS
D
20
−26.120
42.211
77.480
1.00
66.78
D

ATOM
3063
NZ
LYS
D
20
−27.223
41.804
76.537
1.00
69.12
D

ATOM
3064
C
LYS
D
20
−21.485
40.703
80.010
1.00
46.66
D

ATOM
3065
O
LYS
D
20
−22.091
40.131
80.911
1.00
47.82
D

ATOM
3066
N
LEU
D
21
−20.332
40.264
79.523
1.00
43.33
D

ATOM
3067
CA
LEU
D
21
−19.706
39.042
80.006
1.00
44.59
D

ATOM
3068
CB
LEU
D
21
−19.371
38.133
78.821
1.00
42.13
D

ATOM
3069
CG
LEU
D
21
−20.404
37.154
78.271
1.00
39.84
D

ATOM
3070
CD1
LEU
D
21
−21.794
37.732
78.362
1.00
36.89
D

ATOM
3071
CD2
LEU
D
21
−20.020
36.808
76.822
1.00
35.53
D

ATOM
3072
C
LEU
D
21
−18.429
39.286
80.803
1.00
44.92
D

ATOM
3073
O
LEU
D
21
−17.836
38.342
81.320
1.00
43.01
D

ATOM
3074
N
SER
D
22
−18.005
40.542
80.907
1.00
47.78
D

ATOM
3075
CA
SER
D
22
−16.767
40.867
81.614
1.00
50.52
D

ATOM
3076
CB
SER
D
22
−16.248
42.226
81.136
1.00
47.09
D

ATOM
3077
OG
SER
D
22
−17.260
43.210
81.208
1.00
53.22
D

ATOM
3078
C
SER
D
22
−16.823
40.820
83.152
1.00
52.28
D

ATOM
3079
O
SER
D
22
−15.811
40.540
83.801
1.00
50.04
D

ATOM
3080
N
ARG
D
23
−17.994
41.077
83.730
1.00
54.15
D

ATOM
3081
CA
ARG
D
23
−18.154
41.041
85.186
1.00
56.17
D

ATOM
3082
CB
ARG
D
23
−18.977
42.243
85.674
1.00
60.08
D

ATOM
3083
CG
ARG
D
23
−18.374
43.591
85.325
1.00
67.23
D

ATOM
3084
CD
ARG
D
23
−19.301
44.759
85.659
1.00
71.52
D

ATOM
3085
NE
ARG
D
23
−18.689
46.031
85.266
1.00
78.09
D

ATOM
3086
CZ
ARG
D
23
−19.283
47.224
85.343
1.00
80.82
D

ATOM
3087
NH1
ARG
D
23
−20.528
47.329
85.811
1.00
80.78
D

ATOM
3088
NH2
ARG
D
23
−18.632
48.318
84.938
1.00
79.53
D

ATOM
3089
C
ARG
D
23
−18.878
39.757
85.565
1.00
56.69
D

ATOM
3090
O
ARG
D
23
−19.770
39.307
84.841
1.00
54.95
D

ATOM
3091
N
GLU
D
24
−18.504
39.181
86.704
1.00
57.24
D

ATOM
3092
CA
GLU
D
24
−19.115
37.944
87.182
1.00
57.36
D

ATOM
3093
CB
GLU
D
24
−18.783
37.711
88.654
1.00
60.21
D

ATOM
3094
CG
GLU
D
24
−17.567
36.850
88.894
1.00
65.20
D

ATOM
3095
CD
GLU
D
24
−17.472
36.401
90.339
1.00
69.91
D

ATOM
3096
OE1
GLU
D
24
−18.460
35.820
90.850
1.00
70.73
D

ATOM
3097
OE2
GLU
D
24
−16.411
36.626
90.962
1.00
71.73
D

ATOM
3098
C
GLU
D
24
−20.623
37.890
87.025
1.00
56.11
D

ATOM
3099
O
GLU
D
24
−21.332
38.802
87.439
1.00
55.94
D

ATOM
3100
N
CYS
D
25
−21.105
36.808
86.424
1.00
54.18
D

ATOM
3101
CA
CYS
D
25
−22.533
36.608
86.231
1.00
51.71
D

ATOM
3102
CB
CYS
D
25
−23.011
37.255
84.922
1.00
50.84
D

ATOM
3103
SG
CYS
D
25
−21.986
36.944
83.468
1.00
54.31
D

ATOM
3104
C
CYS
D
25
−22.858
35.120
86.251
1.00
50.75
D

ATOM
3105
O
CYS
D
25
−21.960
34.273
86.186
1.00
48.53
D

ATOM
3106
N
GLU
D
26
−24.143
34.805
86.366
1.00
50.87
D

ATOM
3107
CA
GLU
D
26
−24.575
33.417
86.413
1.00
49.98
D

ATOM
3108
CB
GLU
D
26
−26.082
33.313
86.634
1.00
51.88
D

ATOM
3109
CG
GLU
D
26
−26.538
33.647
88.031
1.00
59.28
D

ATOM
3110
CD
GLU
D
26
−27.982
33.243
88.267
1.00
61.03
D

ATOM
3111
OE1
GLU
D
26
−28.259
32.027
88.407
1.00
64.07
D

ATOM
3112
OE2
GLU
D
26
−28.841
34.144
88.296
1.00
61.96
D

ATOM
3113
C
GLU
D
26
−24.233
32.613
85.177
1.00
47.31
D

ATOM
3114
O
GLU
D
26
−24.487
33.028
84.041
1.00
46.59
D

ATOM
3115
N
ILE
D
27
−23.654
31.447
85.423
1.00
42.80
D

ATOM
3116
CA
ILE
D
27
−23.310
30.529
84.367
1.00
40.60
D

ATOM
3117
CB
ILE
D
27
−21.795
30.240
84.333
1.00
36.76
D

ATOM
3118
CG2
ILE
D
27
−21.040
31.494
83.916
1.00
35.57
D

ATOM
3119
CG1
ILE
D
27
−21.314
29.755
85.696
1.00
32.02
D

ATOM
3120
CD1
ILE
D
27
−19.840
29.446
85.732
1.00
27.59
D

ATOM
3121
C
ILE
D
27
−24.101
29.266
84.677
1.00
42.35
D

ATOM
3122
O
ILE
D
27
−24.586
29.081
85.795
1.00
43.91
D

ATOM
3123
N
LYS
D
28
−24.255
28.405
83.683
1.00
44.48
D

ATOM
3124
CA
LYS
D
28
−25.009
27.176
83.871
1.00
42.17
D

ATOM
3125
CB
LYS
D
28
−26.498
27.456
83.664
1.00
42.77
D

ATOM
3126
CG
LYS
D
28
−27.331
26.232
83.390
1.00
48.48
D

ATOM
3127
CD
LYS
D
28
−28.763
26.594
83.024
1.00
52.10
D

ATOM
3128
CE
LYS
D
28
−29.520
27.113
84.226
1.00
60.27
D

ATOM
3129
NZ
LYS
D
28
−30.961
27.340
83.902
1.00
67.28
D

ATOM
3130
C
LYS
D
28
−24.547
26.088
82.913
1.00
39.65
D

ATOM
3131
O
LYS
D
28
−24.371
26.331
81.715
1.00
34.84
D

ATOM
3132
N
TYR
D
29
−24.329
24.893
83.457
1.00
38.08
D

ATOM
3133
CA
TYR
D
29
−23.922
23.751
82.654
1.00
35.76
D

ATOM
3134
CB
TYR
D
29
−23.690
22.542
83.558
1.00
34.09
D

ATOM
3135
CG
TYR
D
29
−23.444
21.260
82.817
1.00
36.22
D

ATOM
3136
CD1
TYR
D
29
−22.404
21.152
81.893
1.00
36.27
D

ATOM
3137
CE1
TYR
D
29
−22.160
19.964
81.220
1.00
35.53
D

ATOM
3138
CD2
TYR
D
29
−24.239
20.143
83.047
1.00
39.14
D

ATOM
3139
CE2
TYR
D
29
−23.998
18.943
82.375
1.00
42.27
D

ATOM
3140
CZ
TYR
D
29
−22.956
18.864
81.464
1.00
37.83
D

ATOM
3141
OH
TYR
D
29
−22.716
17.682
80.810
1.00
38.69
D

ATOM
3142
C
TYR
D
29
−25.066
23.487
81.678
1.00
34.54
D

ATOM
3143
O
TYR
D
29
−26.226
23.443
82.082
1.00
36.75
D

ATOM
3144
N
THR
D
30
−24.743
23.332
80.396
1.00
34.66
D

ATOM
3145
CA
THR
D
30
−25.765
23.111
79.378
1.00
35.53
D

ATOM
3146
CB
THR
D
30
−25.715
24.191
78.279
1.00
33.50
D

ATOM
3147
OG1
THR
D
30
−24.417
24.196
77.676
1.00
35.01
D

ATOM
3148
CG2
THR
D
30
−26.006
25.557
78.861
1.00
33.64
D

ATOM
3149
C
THR
D
30
−25.666
21.769
78.691
1.00
36.80
D

ATOM
3150
O
THR
D
30
−26.435
21.486
77.777
1.00
37.12
D

ATOM
3151
N
GLY
D
31
−24.721
20.946
79.124
1.00
39.36
D

ATOM
3152
CA
GLY
D
31
−24.563
19.640
78.517
1.00
41.27
D

ATOM
3153
C
GLY
D
31
−25.659
18.685
78.942
1.00
42.13
D

ATOM
3154
O
GLY
D
31
−26.139
18.755
80.069
1.00
40.15
D

ATOM
3155
N
PHE
D
32
−26.048
17.794
78.034
1.00
44.77
D

ATOM
3156
CA
PHE
D
32
−27.086
16.795
78.281
1.00
48.66
D

ATOM
3157
CB
PHE
D
32
−26.571
15.731
79.250
1.00
47.57
D

ATOM
3158
CG
PHE
D
32
−25.338
15.020
78.763
1.00
49.76
D

ATOM
3159
CD1
PHE
D
32
−24.078
15.591
78.924
1.00
46.08
D

ATOM
3160
CD2
PHE
D
32
−25.439
13.785
78.121
1.00
47.33
D

ATOM
3161
CE1
PHE
D
32
−22.942
14.944
78.456
1.00
44.69
D

ATOM
3162
CE2
PHE
D
32
−24.306
13.135
77.651
1.00
45.90
D

ATOM
3163
CZ
PHE
D
32
−23.055
13.716
77.819
1.00
44.31
D

ATOM
3164
C
PHE
D
32
−28.408
17.364
78.788
1.00
51.96
D

ATOM
3165
O
PHE
D
32
−29.076
16.762
79.629
1.00
50.61
D

ATOM
3166
N
ARG
D
33
−28.777
18.520
78.245
1.00
57.37
D

ATOM
3167
CA
ARG
D
33
−30.007
19.222
78.596
1.00
63.26
D

ATOM
3168
CB
ARG
D
33
−30.483
20.052
77.403
1.00
67.32
D

ATOM
3169
CG
ARG
D
33
−30.967
21.450
77.750
1.00
72.99
D

ATOM
3170
CD
ARG
D
33
−29.808
22.334
78.176
1.00
76.86
D

ATOM
3171
NE
ARG
D
33
−30.254
23.672
78.564
1.00
82.38
D

ATOM
3172
CZ
ARG
D
33
−30.052
24.213
79.766
1.00
84.06
D

ATOM
3173
NH1
ARG
D
33
−29.409
23.535
80.714
1.00
81.96
D

ATOM
3174
NE2
ARG
D
33
−30.490
25.439
80.020
1.00
85.14
D

ATOM
3175
C
ARG
D
33
−31.114
18.261
79.012
1.00
65.68
D

ATOM
3176
O
ARG
D
33
−31.539
18.251
80.165
1.00
66.69
D

ATOM
3177
N
ASP
D
34
−31.587
17.458
78.067
1.00
68.88
D

ATOM
3178
CA
ASP
D
34
−32.645
16.501
78.355
1.00
71.50
D

ATOM
3179
CB
ASP
D
34
−33.488
16.232
77.109
1.00
75.94
D

ATOM
3180
CG
ASP
D
34
−34.606
17.240
76.935
1.00
80.47
D

ATOM
3181
OD1
ASP
D
34
−34.309
18.449
76.817
1.00
83.24
D

ATOM
3182
OD2
ASP
D
34
−35.784
16.820
76.921
1.00
83.06
D

ATOM
3183
C
ASP
D
34
−32.080
15.194
78.880
1.00
71.38
D

ATOM
3184
O
ASP
D
34
−31.780
14.278
78.112
1.00
74.31
D

ATOM
3185
N
ARG
D
35
−31.933
15.135
80.200
1.00
67.53
D

ATOM
3186
CA
ARG
D
35
−31.420
13.972
80.903
1.00
62.80
D

ATOM
3187
CB
ARG
D
35
−29.944
13.734
80.570
1.00
64.50
D

ATOM
3188
CG
ARG
D
35
−29.725
12.735
79.447
1.00
65.78
D

ATOM
3189
CD
ARG
D
35
−30.476
11.455
79.757
1.00
72.78
D

ATOM
3190
NE
ARG
D
35
−30.404
10.465
78.690
1.00
77.33
D

ATOM
3191
CZ
ARG
D
35
−31.115
9.340
78.677
1.00
79.91
D

ATOM
3192
NH1
ARG
D
35
−31.951
9.072
79.673
1.00
78.51
D

ATOM
3193
NH2
ARG
D
35
−30.986
8.480
77.673
1.00
81.41
D

ATOM
3194
C
ARG
D
35
−31.581
14.216
82.393
1.00
61.05
D

ATOM
3195
O
ARG
D
35
−31.364
15.328
82.872
1.00
62.46
D

ATOM
3196
N
PRO
D
36
−31.986
13.181
83.145
1.00
58.03
D

ATOM
3197
CD
PRO
D
36
−32.298
11.811
82.695
1.00
57.24
D

ATOM
3198
CA
PRO
D
36
−32.172
13.306
84.590
1.00
54.18
D

ATOM
3199
CB
PRO
D
36
−32.221
11.855
85.044
1.00
54.50
D

ATOM
3200
CG
PRO
D
36
−32.966
11.209
83.916
1.00
55.03
D

ATOM
3201
C
PRO
D
36
−31.051
14.104
85.250
1.00
52.16
D

ATOM
3202
O
PRO
D
36
−29.881
13.937
84.921
1.00
50.28
D

ATOM
3203
N
HIS
D
37
−31.432
14.973
86.180
1.00
50.22
D

ATOM
3204
CA
HIS
D
37
−30.498
15.833
86.890
1.00
48.90
D

ATOM
3205
CB
HIS
D
37
−31.239
16.634
87.963
1.00
47.70
D

ATOM
3206
CG
HIS
D
37
−30.377
17.642
88.654
1.00
49.20
D

ATOM
3207
CD2
HIS
D
37
−29.834
17.650
89.895
1.00
47.87
D

ATOM
3208
ND1
HIS
D
37
−29.923
18.785
88.029
1.00
48.06
D

ATOM
3209
CE1
HIS
D
37
−29.137
19.452
88.854
1.00
47.70
D

ATOM
3210
NE2
HIS
D
37
−29.065
18.784
89.992
1.00
50.59
D

ATOM
3211
C
HIS
D
37
−29.322
15.104
87.538
1.00
49.10
D

ATOM
3212
O
HIS
D
37
−28.186
15.581
87.496
1.00
49.19
D

ATOM
3213
N
GLU
D
38
−29.600
13.961
88.153
1.00
49.57
D

ATOM
3214
CA
GLU
D
38
−28.563
13.179
88.813
1.00
50.12
D

ATOM
3215
CB
GLU
D
38
−29.189
11.977
89.525
1.00
54.69
D

ATOM
3216
CG
GLU
D
38
−30.132
12.344
90.694
1.00
65.17
D

ATOM
3217
CD
GLU
D
38
−31.433
13.053
90.269
1.00
69.82
D

ATOM
3218
OE1
GLU
D
38
−32.214
12.476
89.473
1.00
71.51
D

ATOM
3219
OE2
GLU
D
38
−31.680
14.187
90.746
1.00
70.04
D

ATOM
3220
C
GLU
D
38
−27.527
12.716
87.786
1.00
47.30
D

ATOM
3221
O
GLU
D
38
−26.318
12.742
88.043
1.00
45.37
D

ATOM
3222
N
GLU
D
39
−28.008
12.312
86.615
1.00
43.32
D

ATOM
3223
CA
GLU
D
39
−27.126
11.866
85.555
1.00
41.99
D

ATOM
3224
CB
GLU
D
39
−27.935
11.242
84.427
1.00
41.66
D

ATOM
3225
CG
GLU
D
39
−27.067
10.563
83.396
1.00
44.89
D

ATOM
3226
CD
GLU
D
39
−27.759
10.404
82.069
1.00
50.66
D

ATOM
3227
OE1
GLU
D
39
−28.911
9.908
82.047
1.00
52.32
D

ATOM
3228
OE2
GLU
D
39
−27.143
10.774
81.042
1.00
53.65
D

ATOM
3229
C
GLU
D
39
−26.313
13.045
85.009
1.00
44.06
D

ATOM
3230
O
GLU
D
39
−25.121
12.898
84.706
1.00
42.24
D

ATOM
3231
N
ARG
D
40
−26.964
14.206
84.881
1.00
42.36
D

ATOM
3232
CA
ARG
D
40
−26.309
15.411
84.383
1.00
42.48
D

ATOM
3233
CB
ARG
D
40
−27.298
16.587
84.284
1.00
43.75
D

ATOM
3234
CG
ARG
D
40
−28.410
16.392
83.247
1.00
42.33
D

ATOM
3235
CD
ARG
D
40
−29.197
17.670
82.968
1.00
43.54
D

ATOM
3236
NE
ARG
D
40
−28.453
18.618
82.136
1.00
46.23
D

ATOM
3237
CZ
ARG
D
40
−28.054
19.832
82.520
1.00
45.47
D

ATOM
3238
NH1
ARG
D
40
−28.317
20.288
83.740
1.00
42.01
D

ATOM
3239
NH2
ARG
D
40
−27.383
20.597
81.673
1.00
41.40
D

ATOM
3240
C
ARG
D
40
−25.175
15.768
85.323
1.00
42.34
D

ATOM
3241
O
ARG
D
40
−24.109
16.211
84.889
1.00
41.62
D

ATOM
3242
N
GLN
D
41
−25.408
15.557
86.613
1.00
41.78
D

ATOM
3243
CA
GLN
D
41
−24.403
15.836
87.632
1.00
44.13
D

ATOM
3244
CB
GLN
D
41
−24.985
15.579
89.034
1.00
46.96
D

ATOM
3245
CG
GLN
D
41
−26.093
16.553
89.459
1.00
50.71
D

ATOM
3246
CD
GLN
D
41
−26.738
16.183
90.792
1.00
54.69
D

ATOM
3247
OE1
GLN
D
41
−27.484
15.211
90.879
1.00
59.33
D

ATOM
3248
NE2
GLN
D
41
−26.447
16.956
91.835
1.00
54.13
D

ATOM
3249
C
GLN
D
41
−23.175
14.955
87.405
1.00
44.32
D

ATOM
3250
O
GLN
D
41
−22.039
15.403
87.549
1.00
45.90
D

ATOM
3251
N
ALA
D
42
−23.409
13.696
87.045
1.00
46.20
D

ATOM
3252
CA
ALA
D
42
−22.313
12.763
86.800
1.00
46.11
D

ATOM
3253
CB
ALA
D
42
−22.855
11.346
86.636
1.00
44.93
D

ATOM
3254
C
ALA
D
42
−21.551
13.187
85.549
1.00
44.54
D

ATOM
3255
O
ALA
D
42
−20.334
13.370
85.590
1.00
43.31
D

ATOM
3256
N
ARG
D
43
−22.284
13.336
84.447
1.00
42.94
D

ATOM
3257
CA
ARG
D
43
−21.720
13.762
83.165
1.00
43.87
D

ATOM
3258
CB
ARG
D
43
−22.831
14.163
82.190
1.00
46.07
D

ATOM
3259
CG
ARG
D
43
−23.876
13.109
81.917
1.00
45.43
D

ATOM
3260
CD
ARG
D
43
−23.341
12.080
80.982
1.00
45.32
D

ATOM
3261
NE
ARG
D
43
−24.336
11.069
80.670
1.00
43.69
D

ATOM
3262
CZ
ARG
D
43
−24.102
10.051
79.860
1.00
39.05
D

ATOM
3263
NH1
ARG
D
43
−22.915
9.933
79.293
1.00
37.89
D

ATOM
3264
NH2
ARG
D
43
−25.041
9.151
79.633
1.00
41.52
D

ATOM
3265
C
ARG
D
43
−20.818
14.975
83.352
1.00
44.48
D

ATOM
3266
O
ARG
D
43
−19.675
14.983
82.889
1.00
45.13
D

ATOM
3267
N
PHE
D
44
−21.351
15.998
84.026
1.00
42.72
D

ATOM
3268
CA
PHE
D
44
−20.618
17.236
84.269
1.00
40.60
D

ATOM
3269
CB
PHE
D
44
−21.437
18.193
85.134
1.00
37.96
D

ATOM
3270
CG
PHE
D
44
−20.712
19.466
85.465
1.00
35.11
D

ATOM
3271
CD1
PHE
D
44
−20.403
20.382
84.465
1.00
32.05
D

ATOM
3272
CD2
PHE
D
44
−20.287
19.724
86.769
1.00
33.36
D

ATOM
3273
CE1
PHE
D
44
−19.682
21.526
84.752
1.00
29.81
D

ATOM
3274
CE2
PHE
D
44
−19.565
20.866
87.069
1.00
30.30
D

ATOM
3275
CZ
PHE
D
44
−19.260
21.771
86.057
1.00
33.23
D

ATOM
3276
C
PHE
D
44
−19.267
17.002
84.922
1.00
42.52
D

ATOM
3277
O
PHE
D
44
−18.258
17.578
84.501
1.00
42.86
D

ATOM
3278
N
GLN
D
45
−19.241
16.168
85.956
1.00
45.73
D

ATOM
3279
CA
GLN
D
45
−17.983
15.875
86.624
1.00
50.22
D

ATOM
3280
CB
GLN
D
45
−18.229
15.131
87.924
1.00
54.78
D

ATOM
3281
CG
GLN
D
45
−18.067
16.003
89.133
1.00
60.43
D

ATOM
3282
CD
GLN
D
45
−17.527
15.229
90.301
1.00
64.60
D

ATOM
3283
OE1
GLN
D
45
−16.455
14.610
90.210
1.00
66.99
D

ATOM
3284
NE2
GLN
D
45
−18.258
15.251
91.413
1.00
63.21
D

ATOM
3285
C
GLN
D
45
−17.044
15.059
85.738
1.00
51.81
D

ATOM
3286
O
GLN
D
45
−15.834
15.294
85.727
1.00
52.56
D

ATOM
3287
N
ASN
D
46
−17.598
14.100
85.002
1.00
49.81
D

ATOM
3288
CA
ASN
D
46
−16.790
13.284
84.107
1.00
52.31
D

ATOM
3289
CB
ASN
D
46
−17.646
12.255
83.360
1.00
57.21
D

ATOM
3290
CG
ASN
D
46
−17.802
10.956
84.124
1.00
60.48
D

ATOM
3291
OD1
ASN
D
46
−17.062
10.687
85.079
1.00
61.70
D

ATOM
3292
ND2
ASN
D
46
−18.756
10.130
83.696
1.00
58.80
D

ATOM
3293
C
ASN
D
46
−16.103
14.173
83.089
1.00
52.01
D

ATOM
3294
O
ASN
D
46
−14.882
14.137
82.956
1.00
53.21
D

ATOM
3295
N
ALA
D
47
−16.897
14.968
82.374
1.00
49.56
D

ATOM
3296
CA
ALA
D
47
−16.380
15.878
81.353
1.00
45.44
D

ATOM
3297
CB
ALA
D
47
−17.536
16.629
80.694
1.00
44.88
D

ATOM
3298
C
ALA
D
47
−15.364
16.871
81.925
1.00
43.33
D

ATOM
3299
O
ALA
D
47
−14.358
17.169
81.285
1.00
36.48
D

ATOM
3300
N
CYS
D
48
−15.638
17.375
83.128
1.00
43.95
D

ATOM
3301
CA
CYS
D
48
−14.749
18.327
83.792
1.00
48.74
D

ATOM
3302
CB
CYS
D
48
−15.347
18.798
85.112
1.00
49.72
D

ATOM
3303
SG
CYS
D
48
−16.425
20.209
84.999
1.00
58.34
D

ATOM
3304
C
CYS
D
48
−13.389
17.736
84.094
1.00
50.05
D

ATOM
3305
O
CYS
D
48
−12.360
18.288
83.714
1.00
47.29
D

ATOM
3306
N
ARG
D
49
−13.404
16.613
84.807
1.00
55.29
D

ATOM
3307
CA
ARG
D
49
−12.183
15.934
85.206
1.00
58.19
D

ATOM
3308
CB
ARG
D
49
−12.516
14.703
86.063
1.00
61.81
D

ATOM
3309
CG
ARG
D
49
−13.109
15.078
87.423
1.00
67.72
D

ATOM
3310
CD
ARG
D
49
−13.218
13.906
88.399
1.00
73.74
D

ATOM
3311
NE
ARG
D
49
−14.146
12.873
87.946
1.00
79.14
D

ATOM
3312
CZ
ARG
D
49
−13.795
11.825
87.206
1.00
81.93
D

ATOM
3313
NH1
ARG
D
49
−12.531
11.666
86.838
1.00
81.86
D

ATOM
3314
NH2
ARG
D
49
−14.709
10.939
86.828
1.00
82.60
D

ATOM
3315
C
ARG
D
49
−11.360
15.555
83.992
1.00
57.76
D

ATOM
3316
O
ARG
D
49
−10.144
15.390
84.087
1.00
58.58
D

ATOM
3317
N
ASP
D
50
−12.029
15.429
82.850
1.00
56.34
D

ATOM
3318
CA
ASP
D
50
−11.351
15.095
81.607
1.00
54.87
D

ATOM
3319
CB
ASP
D
50
−12.175
14.074
80.814
1.00
56.86
D

ATOM
3320
CG
ASP
D
50
−12.220
12.701
81.505
1.00
62.27
D

ATOM
3321
OD1
ASP
D
50
−11.139
12.155
81.823
1.00
61.09
D

ATOM
3322
OD2
ASP
D
50
−13.329
12.164
81.731
1.00
62.30
D

ATOM
3323
C
ASP
D
50
−11.055
16.358
80.787
1.00
52.47
D

ATOM
3324
O
ASP
D
50
−10.765
16.287
79.592
1.00
52.50
D

ATOM
3325
N
GLY
D
51
−11.133
17.507
81.465
1.00
48.86
D

ATOM
3326
CA
GLY
D
51
−10.827
18.800
80.874
1.00
46.49
D

ATOM
3327
C
GLY
D
51
−11.814
19.561
79.998
1.00
46.07
D

ATOM
3328
O
GLY
D
51
−11.436
20.580
79.417
1.00
43.75
D

ATOM
3329
N
ARG
D
52
−13.064
19.121
79.900
1.00
46.32
D

ATOM
3330
CA
ARG
D
52
−14.009
19.827
79.040
1.00
47.23
D

ATOM
3331
CB
ARG
D
52
−14.157
19.092
77.700
1.00
47.29
D

ATOM
3332
CG
ARG
D
52
−14.747
17.693
77.821
1.00
52.66
D

ATOM
3333
CD
ARG
D
52
−15.181
17.073
76.463
1.00
58.80
D

ATOM
3334
NE
ARG
D
52
−16.603
17.299
76.158
1.00
64.74
D

ATOM
3335
CZ
ARG
D
52
−17.136
18.489
75.852
1.00
68.30
D

ATOM
3336
NH1
ARG
D
52
−16.370
19.581
75.795
1.00
67.57
D

ATOM
3337
NH2
ARG
D
52
−18.446
18.599
75.619
1.00
69.20
D

ATOM
3338
C
ARG
D
52
−15.393
20.038
79.631
1.00
45.70
D

ATOM
3339
O
ARG
D
52
−15.777
19.384
80.598
1.00
46.10
D

ATOM
3340
N
SER
D
53
−16.136
20.969
79.035
1.00
43.63
D

ATOM
3341
CA
SER
D
53
−17.498
21.261
79.455
1.00
42.85
D

ATOM
3342
CB
SER
D
53
−17.517
21.839
80.871
1.00
42.86
D

ATOM
3343
OG
SER
D
53
−18.843
21.847
81.380
1.00
41.40
D

ATOM
3344
C
SER
D
53
−18.234
22.212
78.511
1.00
42.00
D

ATOM
3345
O
SER
D
53
−17.646
22.809
77.613
1.00
39.88
D

ATOM
3346
N
GLU
D
54
−19.540
22.317
78.720
1.00
41.99
D

ATOM
3347
CA
GLU
D
54
−20.398
23.196
77.944
1.00
41.43
D

ATOM
3348
CB
GLU
D
54
−21.403
22.391
77.123
1.00
46.74
D

ATOM
3349
CG
GLU
D
54
−20.905
21.996
75.742
1.00
58.42
D

ATOM
3350
CD
GLU
D
54
−21.902
21.131
74.984
1.00
65.40
D

ATOM
3351
OE1
GLU
D
54
−23.109
21.475
74.969
1.00
66.89
D

ATOM
3352
OE2
GLU
D
54
−21.473
20.113
74.398
1.00
67.41
D

ATOM
3353
C
GLU
D
54
−21.119
24.049
78.971
1.00
40.46
D

ATOM
3354
O
GLU
D
54
−21.911
23.553
79.772
1.00
36.62
D

ATOM
3355
N
ILE
D
55
−20.829
25.339
78.958
1.00
39.43
D

ATOM
3356
CA
ILE
D
55
−21.429
26.240
79.924
1.00
40.63
D

ATOM
3357
CB
ILE
D
55
−20.405
26.579
81.043
1.00
38.86
D

ATOM
3358
CG2
ILE
D
55
−21.000
27.546
82.037
1.00
40.38
D

ATOM
3359
CG1
ILE
D
55
−19.999
25.292
81.763
1.00
39.37
D

ATOM
3360
CD1
ILE
D
55
−18.785
25.422
82.659
1.00
43.37
D

ATOM
3361
C
ILE
D
55
−21.890
27.497
79.221
1.00
39.71
D

ATOM
3362
O
ILE
D
55
−21.217
28.006
78.331
1.00
42.75
D

ATOM
3363
N
ALA
D
56
−23.054
27.987
79.609
1.00
39.61
D

ATOM
3364
CA
ALA
D
56
−23.590
29.188
79.003
1.00
40.47
D

ATOM
3365
CB
ALA
D
56
−24.898
28.874
78.313
1.00
36.69
D

ATOM
3366
C
ALA
D
56
−23.812
30.271
80.047
1.00
43.61
D

ATOM
3367
O
ALA
D
56
−24.014
29.987
81.235
1.00
41.32
D

ATOM
3368
N
PHE
D
57
−23.730
31.522
79.609
1.00
44.78
D

ATOM
3369
CA
PHE
D
57
−24.018
32.629
80.505
1.00
44.18
D

ATOM
3370
CB
PHE
D
57
−23.311
33.904
80.045
1.00
41.07
D

ATOM
3371
CG
PHE
D
57
−21.816
33.862
80.198
1.00
37.32
D

ATOM
3372
CD1
PHE
D
57
−21.005
33.455
79.145
1.00
38.16
D

ATOM
3373
CD2
PHE
D
57
−21.220
34.245
81.389
1.00
35.21
D

ATOM
3374
CE1
PHE
D
57
−19.615
33.433
79.272
1.00
38.22
D

ATOM
3375
CE2
PHE
D
57
−19.835
34.230
81.536
1.00
37.12
D

ATOM
3376
CZ
PHE
D
57
−19.026
33.821
80.469
1.00
40.01
D

ATOM
3377
C
PHE
D
57
−25.541
32.741
80.332
1.00
45.18
D

ATOM
3378
O
PHE
D
57
−26.028
33.005
79.226
1.00
43.40
D

ATOM
3379
N
VAL
D
58
−26.286
32.511
81.411
1.00
45.43
D

ATOM
3380
CA
VAL
D
58
−27.749
32.531
81.337
1.00
48.05
D

ATOM
3381
CB
VAL
D
58
−28.388
32.053
82.659
1.00
47.27
D

ATOM
3382
CG1
VAL
D
58
−27.901
30.653
82.976
1.00
51.12
D

ATOM
3383
CG2
VAL
D
58
−28.051
33.004
83.792
1.00
48.21
D

ATOM
3384
C
VAL
D
58
−28.403
33.849
80.941
1.00
48.22
D

ATOM
3385
O
VAL
D
58
−29.264
33.871
80.063
1.00
47.14
D

ATOM
3386
N
ALA
D
59
−28.002
34.942
81.581
1.00
47.51
D

ATOM
3387
CA
ALA
D
59
−28.587
36.237
81.275
1.00
49.66
D

ATOM
3388
CB
ALA
D
59
−27.870
37.342
82.058
1.00
47.26
D

ATOM
3389
C
ALA
D
59
−28.527
36.520
79.780
1.00
49.57
D

ATOM
3390
O
ALA
D
59
−29.554
36.638
79.124
1.00
52.91
D

ATOM
3391
N
THR
D
60
−27.322
36.611
79.240
1.00
49.87
D

ATOM
3392
CA
THR
D
60
−27.150
36.896
77.820
1.00
51.27
D

ATOM
3393
CB
THR
D
60
−25.734
37.404
77.549
1.00
49.16
D

ATOM
3394
OG1
THR
D
60
−24.803
36.550
78.218
1.00
49.93
D

ATOM
3395
CG2
THR
D
60
−25.567
38.837
78.054
1.00
49.54
D

ATOM
3396
C
THR
D
60
−27.431
35.720
76.884
1.00
50.78
D

ATOM
3397
O
THR
D
60
−27.708
35.919
75.708
1.00
49.94
D

ATOM
3398
N
GLY
D
61
−27.351
34.498
77.403
1.00
52.07
D

ATOM
3399
CA
GLY
D
61
−27.597
33.329
76.573
1.00
53.13
D

ATOM
3400
C
GLY
D
61
−26.398
32.925
75.725
1.00
52.59
D

ATOM
3401
O
GLY
D
61
−26.555
32.321
74.664
1.00
55.62
D

ATOM
3402
N
THR
D
62
−25.200
33.253
76.202
1.00
50.41
D

ATOM
3403
CA
THR
D
62
−23.961
32.938
75.498
1.00
46.31
D

ATOM
3404
CB
THR
D
62
−22.872
34.002
75.801
1.00
48.09
D

ATOM
3405
OG1
THR
D
62
−23.381
35.305
75.486
1.00
51.58
D

ATOM
3406
CG2
THR
D
62
−21.618
33.753
74.970
1.00
46.02
D

ATOM
3407
C
THR
D
62
−23.481
31.560
75.949
1.00
43.88
D

ATOM
3408
O
THR
D
62
−23.051
31.379
77.090
1.00
44.53
D

ATOM
3409
N
ASN
D
63
−23.559
30.592
75.042
1.00
38.87
D

ATOM
3410
CA
ASN
D
63
−23.169
29.226
75.337
1.00
36.43
D

ATOM
3411
CB
ASN
D
63
−24.226
28.287
74.749
1.00
39.06
D

ATOM
3412
CG
ASN
D
63
−24.031
26.847
75.159
1.00
43.42
D

ATOM
3413
OD1
ASN
D
63
−23.734
26.545
76.319
1.00
43.05
D

ATOM
3414
ND2
ASN
D
63
−24.218
25.942
74.212
1.00
44.50
D

ATOM
3415
C
ASN
D
63
−21.775
28.922
74.780
1.00
36.20
D

ATOM
3416
O
ASN
D
63
−21.479
29.240
73.634
1.00
35.27
D

ATOM
3417
N
LEU
D
64
−20.922
28.302
75.591
1.00
34.33
D

ATOM
3418
CA
LEU
D
64
−19.563
27.998
75.166
1.00
33.55
D

ATOM
3419
CB
LEU
D
64
−18.602
28.999
75.804
1.00
34.26
D

ATOM
3420
CG
LEU
D
64
−18.782
30.453
75.363
1.00
35.21
D

ATOM
3421
CD1
LEU
D
64
−18.052
31.375
76.330
1.00
39.96
D

ATOM
3422
CD2
LEU
D
64
−18.254
30.622
73.934
1.00
35.32
D

ATOM
3423
C
LEU
D
64
−19.073
26.583
75.460
1.00
33.59
D

ATOM
3424
O
LEU
D
64
−19.430
25.981
76.475
1.00
31.60
D

ATOM
3425
N
SER
D
65
−18.257
26.061
74.545
1.00
33.13
D

ATOM
3426
CA
SER
D
65
−17.656
24.740
74.684
1.00
32.27
D

ATOM
3427
CB
SER
D
65
−17.521
24.058
73.321
1.00
32.92
D

ATOM
3428
OG
SER
D
65
−16.918
22.776
73.435
1.00
36.38
D

ATOM
3429
C
SER
D
65
−16.286
25.079
75.256
1.00
32.62
D

ATOM
3430
O
SER
D
65
−15.546
25.874
74.675
1.00
31.39
D

ATOM
3431
N
LEU
D
66
−15.943
24.479
76.390
1.00
32.39
D

ATOM
3432
CA
LEU
D
66
−14.691
24.813
77.050
1.00
34.93
D

ATOM
3433
CB
LEU
D
66
−15.004
25.409
78.426
1.00
32.13
D

ATOM
3434
CG
LEU
D
66
−16.005
26.565
78.418
1.00
34.79
D

ATOM
3435
CD1
LEU
D
66
−16.437
26.913
79.839
1.00
35.01
D

ATOM
3436
CD2
LEU
D
66
−15.373
27.753
77.731
1.00
35.61
D

ATOM
3437
C
LEU
D
66
−13.664
23.709
77.224
1.00
36.40
D

ATOM
3438
O
LEU
D
66
−14.006
22.561
77.520
1.00
35.68
D

ATOM
3439
N
GLN
D
67
−12.400
24.079
77.041
1.00
35.91
D

ATOM
3440
CA
GLN
D
67
−11.283
23.159
77.235
1.00
41.01
D

ATOM
3441
CB
GLN
D
67
−10.443
23.008
75.964
1.00
40.55
D

ATOM
3442
CG
GLN
D
67
−11.191
22.325
74.845
1.00
49.45
D

ATOM
3443
CD
GLN
D
67
−10.278
21.648
73.854
1.00
51.92
D

ATOM
3444
OE1
GLN
D
67
−9.358
22.264
73.312
1.00
56.25
D

ATOM
3445
NE2
GLN
D
67
−10.529
20.369
73.605
1.00
52.99
D

ATOM
3446
C
GLN
D
67
−10.433
23.732
78.362
1.00
40.47
D

ATOM
3447
O
GLN
D
67
−9.839
24.805
78.226
1.00
41.43
D

ATOM
3448
N
PHE
D
68
−10.396
23.016
79.480
1.00
41.08
D

ATOM
3449
CA
PHE
D
68
−9.644
23.449
80.649
1.00
43.88
D

ATOM
3450
CB
PHE
D
68
−10.313
22.883
81.909
1.00
42.14
D

ATOM
3451
CG
PHE
D
68
−11.809
23.095
81.948
1.00
39.65
D

ATOM
3452
CD1
PHE
D
68
−12.682
22.011
81.901
1.00
38.99
D

ATOM
3453
CD2
PHE
D
68
−12.343
24.380
82.006
1.00
36.16
D

ATOM
3454
CE1
PHE
D
68
−14.061
22.203
81.912
1.00
36.72
D

ATOM
3455
CE2
PHE
D
68
−13.718
24.584
82.016
1.00
35.22
D

ATOM
3456
CZ
PHE
D
68
−14.580
23.498
81.970
1.00
34.57
D

ATOM
3457
C
PHE
D
68
−8.178
23.010
80.578
1.00
46.10
D

ATOM
3458
O
PHE
D
68
−7.786
22.039
81.217
1.00
48.32
D

ATOM
3459
N
PHE
D
69
−7.378
23.725
79.791
1.00
48.75
D

ATOM
3460
CA
PHE
D
69
−5.952
23.423
79.631
1.00
52.27
D

ATOM
3461
CB
PHE
D
69
−5.722
22.409
78.514
1.00
53.41
D

ATOM
3462
CG
PHE
D
69
−6.385
21.093
78.736
1.00
54.68
D

ATOM
3463
CD1
PHE
D
69
−7.583
20.792
78.098
1.00
54.09
D

ATOM
3464
CD2
PHE
D
69
−5.802
20.138
79.572
1.00
56.24
D

ATOM
3465
CE1
PHE
D
69
−8.197
19.551
78.284
1.00
56.97
D

ATOM
3466
CE2
PHE
D
69
−6.406
18.889
79.770
1.00
56.59
D

ATOM
3467
CZ
PHE
D
69
−7.606
18.595
79.124
1.00
57.27
D

ATOM
3468
C
PHE
D
69
−5.205
24.698
79.264
1.00
54.75
D

ATOM
3469
O
PHE
D
69
−5.804
25.637
78.733
1.00
58.60
D

ATOM
3470
N
PRO
D
70
−3.886
24.747
79.522
1.00
55.35
D

ATOM
3471
CD
PRO
D
70
−3.035
23.705
80.122
1.00
56.70
D

ATOM
3472
CA
PRO
D
70
−3.093
25.942
79.198
1.00
55.34
D

ATOM
3473
CB
PRO
D
70
−1.666
25.509
79.520
1.00
52.10
D

ATOM
3474
CG
PRO
D
70
−1.859
24.507
80.614
1.00
55.34
D

ATOM
3475
C
PRO
D
70
−3.254
26.339
77.728
1.00
55.13
D

ATOM
3476
O
PRO
D
70
−3.286
25.470
76.848
1.00
57.18
D

ATOM
3477
N
THR
D
80
−5.284
14.542
81.876
1.00
88.24
D

ATOM
3478
CA
THR
D
80
−5.887
15.058
83.101
1.00
88.46
D

ATOM
3479
CB
THR
D
80
−5.531
14.175
84.323
1.00
87.92
D

ATOM
3480
OG1
THR
D
80
−6.281
12.958
84.255
1.00
88.80
D

ATOM
3481
CG2
THR
D
80
−5.861
14.891
85.634
1.00
88.08
D

ATOM
3482
C
THR
D
80
−5.465
16.493
83.395
1.00
87.62
D

ATOM
3483
O
THR
D
80
−4.320
16.756
83.773
1.00
88.15
D

ATOM
3484
N
PRO
D
81
−6.400
17.442
83.238
1.00
85.95
D

ATOM
3485
CD
PRO
D
81
−7.843
17.245
83.002
1.00
84.54
D

ATOM
3486
CA
PRO
D
81
−6.097
18.853
83.496
1.00
84.00
D

ATOM
3487
CB
PRO
D
81
−7.442
19.541
83.250
1.00
84.44
D

ATOM
3488
CG
PRO
D
81
−8.439
18.471
83.646
1.00
84.23
D

ATOM
3489
C
PRO
D
81
−5.592
19.043
84.923
1.00
80.98
D

ATOM
3490
O
PRO
D
81
−6.024
18.337
85.832
1.00
79.31
D

ATOM
3491
N
SER
D
82
−4.681
19.989
85.120
1.00
78.98
D

ATOM
3492
CA
SER
D
82
−4.156
20.235
86.455
1.00
78.40
D

ATOM
3493
CB
SER
D
82
−3.011
21.252
86.416
1.00
78.27
D

ATOM
3494
OG
SER
D
82
−3.502
22.571
86.257
1.00
76.48
D

ATOM
3495
C
SER
D
82
−5.268
20.759
87.356
1.00
78.34
D

ATOM
3496
O
SER
D
82
−6.448
20.707
86.997
1.00
77.46
D

ATOM
3497
N
ARG
D
83
−4.876
21.260
88.527
1.00
78.62
D

ATOM
3498
CA
ARG
D
83
−5.813
21.805
89.507
1.00
77.61
D

ATOM
3499
CB
ARG
D
83
−5.262
21.616
90.923
0.00
77.60
D

ATOM
3500
CG
ARG
D
83
−4.940
20.174
91.278
0.00
77.43
D

ATOM
3501
CD
ARG
D
83
−4.323
20.073
92.664
0.00
77.33
D

ATOM
3502
NE
ARG
D
83
−3.981
18.698
93.014
0.00
77.27
D

ATOM
3503
CZ
ARG
D
83
−3.421
18.336
94.164
0.00
77.22
D

ATOM
3504
NH1
ARG
D
83
−3.136
19.249
95.082
0.00
77.21
D

ATOM
3505
NH2
ARG
D
83
−3.145
17.060
94.397
0.00
77.22
D

ATOM
3506
C
ARG
D
83
−6.012
23.292
89.230
1.00
76.94
D

ATOM
3507
O
ARG
D
83
−7.022
23.885
89.618
1.00
76.72
D

ATOM
3508
N
GLU
D
84
−5.034
23.888
88.559
1.00
75.74
D

ATOM
3509
CA
GLU
D
84
−5.099
25.298
88.218
1.00
76.59
D

ATOM
3510
CB
GLU
D
84
−3.823
25.724
87.488
1.00
77.36
D

ATOM
3511
CG
GLU
D
84
−3.745
27.212
87.186
1.00
81.57
D

ATOM
3512
CD
GLU
D
84
−2.542
27.572
86.323
1.00
85.53
D

ATOM
3513
OE1
GLU
D
84
−1.449
27.007
86.560
1.00
87.11
D

ATOM
3514
OE2
GLU
D
84
−2.684
28.426
85.416
1.00
85.73
D

ATOM
3515
C
GLU
D
84
−6.305
25.537
87.314
1.00
76.22
D

ATOM
3516
O
GLU
D
84
−6.937
26.595
87.381
1.00
76.69
D

ATOM
3517
N
TYR
D
85
−6.623
24.546
86.478
1.00
74.12
D

ATOM
3518
CA
TYR
D
85
−7.746
24.655
85.550
1.00
72.24
D

ATOM
3519
CB
TYR
D
85
−7.350
24.115
84.169
1.00
68.78
D

ATOM
3520
CG
TYR
D
85
−6.294
24.961
83.496
1.00
66.54
D

ATOM
3521
CD1
TYR
D
85
−4.939
24.729
83.718
1.00
65.26
D

ATOM
3522
CE1
TYR
D
85
−3.965
25.569
83.180
1.00
65.00
D

ATOM
3523
CD2
TYR
D
85
−6.651
26.052
82.708
1.00
68.01
D

ATOM
3524
CE2
TYR
D
85
−5.684
26.900
82.164
1.00
67.99
D

ATOM
3525
CZ
TYR
D
85
−4.345
26.653
82.409
1.00
66.05
D

ATOM
3526
OH
TYR
D
85
−3.393
27.508
81.908
1.00
66.47
D

ATOM
3527
C
TYR
D
85
−9.034
23.985
86.027
1.00
72.88
D

ATOM
3528
O
TYR
D
85
−10.126
24.482
85.757
1.00
74.79
D

ATOM
3529
N
VAL
D
86
−8.916
22.864
86.732
1.00
71.79
D

ATOM
3530
CA
VAL
D
86
−10.096
22.170
87.239
1.00
70.89
D

ATOM
3531
CB
VAL
D
86
−10.293
20.823
86.521
1.00
70.48
D

ATOM
3532
CG1
VAL
D
86
−11.663
20.242
86.859
1.00
69.18
D

ATOM
3533
CG2
VAL
D
86
−10.143
21.018
85.022
1.00
70.88
D

ATOM
3534
C
VAL
D
86
−9.913
21.936
88.738
1.00
71.32
D

ATOM
3535
O
VAL
D
86
−9.354
20.921
89.158
1.00
70.37
D

ATOM
3536
N
ASP
D
87
−10.391
22.883
89.541
1.00
71.05
D

ATOM
3537
CA
ASP
D
87
−10.247
22.801
90.989
1.00
71.35
D

ATOM
3538
CB
ASP
D
87
−9.923
24.189
91.550
1.00
73.46
D

ATOM
3539
CG
ASP
D
87
−9.162
24.126
92.865
1.00
75.27
D

ATOM
3540
OD1
ASP
D
87
−9.433
23.210
93.674
1.00
74.58
D

ATOM
3541
OD2
ASP
D
87
−8.298
25.003
93.092
1.00
76.92
D

ATOM
3542
C
ASP
D
87
−11.456
22.235
91.737
1.00
70.15
D

ATOM
3543
O
ASP
D
87
−12.424
22.947
91.992
1.00
68.95
D

ATOM
3544
N
LEU
D
88
−11.392
20.958
92.099
1.00
70.32
D

ATOM
3545
CA
LEU
D
88
−12.472
20.325
92.850
1.00
70.39
D

ATOM
3546
CB
LEU
D
88
−12.599
18.844
92.472
1.00
68.68
D

ATOM
3547
CG
LEU
D
88
−13.329
18.516
91.166
1.00
69.48
D

ATOM
3548
CD1
LEU
D
88
−13.192
17.038
90.844
1.00
69.02
D

ATOM
3549
CD2
LEU
D
88
−14.796
18.891
91.299
1.00
69.40
D

ATOM
3550
C
LEU
D
88
−12.166
20.460
94.342
1.00
70.80
D

ATOM
3551
O
LEU
D
88
−12.929
19.990
95.190
1.00
68.91
D

ATOM
3552
N
GLU
D
89
−11.049
21.127
94.637
1.00
72.30
D

ATOM
3553
CA
GLU
D
89
−10.573
21.345
96.003
1.00
73.10
D

ATOM
3554
CB
GLU
D
89
−9.044
21.278
96.030
0.00
72.98
D

ATOM
3555
CG
GLU
D
89
−8.460
20.022
95.406
0.00
72.92
D

ATOM
3556
CD
GLU
D
89
−6.950
20.087
95.279
0.00
72.92
D

ATOM
3557
OE1
GLU
D
89
−6.450
21.016
94.610
0.00
72.88
D

ATOM
3558
OE2
GLU
D
89
−6.264
19.211
95.845
0.00
72.84
D

ATOM
3559
C
GLU
D
89
−11.022
22.676
96.613
1.00
73.56
D

ATOM
3560
O
GLU
D
89
−11.881
22.702
97.488
1.00
73.67
D

ATOM
3561
N
ARG
D
90
−10.422
23.767
96.144
1.00
74.44
D

ATOM
3562
CA
ARG
D
90
−10.709
25.123
96.624
1.00
75.64
D

ATOM
3563
CB
ARG
D
90
−10.853
26.084
95.441
1.00
75.99
D

ATOM
3564
CG
ARG
D
90
−11.060
27.533
95.851
1.00
74.12
D

ATOM
3565
CD
ARG
D
90
−10.946
28.456
94.660
1.00
74.27
D

ATOM
3566
NE
ARG
D
90
−11.163
29.851
95.020
1.00
77.06
D

ATOM
3567
CZ
ARG
D
90
−11.101
30.861
94.157
1.00
80.00
D

ATOM
3568
NH1
ARG
D
90
−10.824
30.627
92.881
1.00
79.81
D

ATOM
3569
NH2
ARG
D
90
−11.323
32.104
94.566
1.00
79.49
D

ATOM
3570
C
ARG
D
90
−11.916
25.278
97.543
1.00
76.24
D

ATOM
3571
O
ARG
D
90
−11.789
25.811
98.642
1.00
75.84
D

ATOM
3572
N
GLU
D
91
−13.088
24.841
97.091
1.00
77.46
D

ATOM
3573
CA
GLU
D
91
−14.290
24.927
97.917
1.00
78.92
D

ATOM
3574
CB
GLU
D
91
−15.072
26.211
97.620
1.00
79.99
D

ATOM
3575
CG
GLU
D
91
−15.651
26.860
98.874
1.00
82.64
D

ATOM
3576
CD
GLU
D
91
−16.852
27.745
98.596
1.00
84.44
D

ATOM
3577
OE1
GLU
D
91
−17.949
27.198
98.358
1.00
83.55
D

ATOM
3578
OE2
GLU
D
91
−16.698
28.986
98.612
1.00
87.28
D

ATOM
3579
C
GLU
D
91
−15.207
23.721
97.715
1.00
78.91
D

ATOM
3580
O
GLU
D
91
−15.710
23.484
96.615
1.00
80.34
D

ATOM
3581
N
ALA
D
92
−15.421
22.964
98.787
1.00
77.60
D

ATOM
3582
CA
ALA
D
92
−16.276
21.781
98.743
1.00
74.11
D

ATOM
3583
CB
ALA
D
92
−16.433
21.207
100.146
1.00
73.59
D

ATOM
3584
C
ALA
D
92
−17.649
22.100
98.155
1.00
71.48
D

ATOM
3585
O
ALA
D
92
−18.226
23.154
98.432
1.00
69.46
D

ATOM
3586
N
GLY
D
93
−18.167
21.185
97.341
1.00
69.18
D

ATOM
3587
CA
GLY
D
93
−19.474
21.391
96.742
1.00
66.60
D

ATOM
3588
C
GLY
D
93
−19.451
22.032
95.364
1.00
64.95
D

ATOM
3589
O
GLY
D
93
−20.468
22.052
94.668
1.00
65.18
D

ATOM
3590
N
LYS
D
94
−18.301
22.563
94.962
1.00
62.36
D

ATOM
3591
CA
LYS
D
94
−18.197
23.187
93.652
1.00
60.23
D

ATOM
3592
CB
LYS
D
94
−18.712
24.624
93.718
1.00
60.64
D

ATOM
3593
CG
LYS
D
94
−17.960
25.572
94.632
1.00
57.30
D

ATOM
3594
CD
LYS
D
94
−18.823
26.808
94.805
1.00
59.27
D

ATOM
3595
CE
LYS
D
94
−18.107
27.951
95.475
1.00
63.07
D

ATOM
3596
NZ
LYS
D
94
−19.057
29.085
95.676
1.00
66.18
D

ATOM
3597
C
LYS
D
94
−16.800
23.157
93.039
1.00
58.84
D

ATOM
3598
O
LYS
D
94
15.790
23.055
93.746
1.00
59.83
D

ATOM
3599
N
VAL
D
95
−16.753
23.241
91.712
1.00
53.98
D

ATOM
3600
CA
VAL
D
95
−15.486
23.213
90.996
1.00
49.53
D

ATOM
3601
CB
VAL
D
95
−15.523
22.187
89.836
1.00
48.68
D

ATOM
3602
CG1
VAL
D
95
−16.599
22.565
88.841
1.00
46.34
D

ATOM
3603
CG2
VAL
D
95
−14.168
22.117
89.151
1.00
48.81
D

ATOM
3604
C
VAL
D
95
−15.135
24.572
90.426
1.00
47.53
D

ATOM
3605
O
VAL
D
95
−16.014
25.319
89.996
1.00
51.62
D

ATOM
3606
N
TYR
D
96
−13.850
24.903
90.444
1.00
44.65
D

ATOM
3607
CA
TYR
D
96
−13.391
26.162
89.878
1.00
45.94
D

ATOM
3608
CB
TYR
D
96
−12.442
26.877
90.842
1.00
47.61
D

ATOM
3609
CG
TYR
D
96
−13.194
27.708
91.863
1.00
52.02
D

ATOM
3610
CD1
TYR
D
96
−13.735
27.127
93.011
1.00
52.88
D

ATOM
3611
CE1
TYR
D
96
−14.475
27.883
93.922
1.00
55.65
D

ATOM
3612
CD2
TYR
D
96
−13.411
29.071
91.653
1.00
53.89
D

ATOM
3613
CE2
TYR
D
96
−14.149
29.835
92.553
1.00
56.72
D

ATOM
3614
CZ
TYR
D
96
−14.679
29.237
93.688
1.00
58.24
D

ATOM
3615
OH
TYR
D
96
−15.412
29.996
94.580
1.00
60.71
D

ATOM
3616
C
TYR
D
96
−12.716
25.854
88.541
1.00
46.23
D

ATOM
3617
O
TYR
D
96
−11.753
25.084
88.477
1.00
47.95
D

ATOM
3618
N
LEU
D
97
−13.244
26.448
87.474
1.00
43.48
D

ATOM
3619
CA
LEU
D
97
−12.741
26.206
86.127
1.00
38.90
D

ATOM
3620
CB
LEU
D
97
−13.891
25.712
85.252
1.00
38.80
D

ATOM
3621
CG
LEU
D
97
−14.621
24.472
85.759
1.00
38.57
D

ATOM
3622
CD1
LEU
D
97
−15.979
24.346
85.092
1.00
35.65
D

ATOM
3623
CD2
LEU
D
97
−13.759
23.248
85.486
1.00
40.92
D

ATOM
3624
C
LEU
D
97
−12.096
27.420
85.472
1.00
37.32
D

ATOM
3625
O
LEU
D
97
−12.542
28.553
85.667
1.00
35.97
D

ATOM
3626
N
LYS
D
98
−11.051
27.158
84.686
1.00
36.83
D

ATOM
3627
CA
LYS
D
98
−10.302
28.182
83.949
1.00
38.18
D

ATOM
3628
CB
LYS
D
98
−8.911
28.356
84.563
1.00
40.93
D

ATOM
3629
CG
LYS
D
98
−8.032
29.432
83.935
1.00
46.34
D

ATOM
3630
CD
LYS
D
98
−6.617
29.361
84.526
1.00
52.94
D

ATOM
3631
CE
LYS
D
98
−5.680
30.454
84.008
1.00
58.30
D

ATOM
3632
NZ
LYS
D
98
−5.793
31.753
84.752
1.00
61.05
D

ATOM
3633
C
LYS
D
98
−10.172
27.667
82.511
1.00
36.19
D

ATOM
3634
O
LYS
D
98
−9.898
26.487
82.289
1.00
33.97
D

ATOM
3635
N
ALA
D
99
−10.379
28.533
81.530
1.00
34.05
D

ATOM
3636
CA
ALA
D
99
−10.276
28.082
80.144
1.00
35.32
D

ATOM
3637
CB
ALA
D
99
−11.560
27.352
79.751
1.00
33.03
D

ATOM
3638
C
ALA
D
99
−9.962
29.182
79.117
1.00
34.03
D

ATOM
3639
O
ALA
D
99
−10.762
30.084
78.899
1.00
35.09
D

ATOM
3640
N
PRO
D
100
−8.779
29.115
78.488
1.00
32.07
D

ATOM
3641
CD
PRO
D
100
−7.706
28.189
78.874
1.00
33.05
D

ATOM
3642
CA
PRO
D
100
−8.302
30.065
77.469
1.00
36.09
D

ATOM
3643
CB
PRO
D
100
−6.785
29.860
77.464
1.00
32.40
D

ATOM
3644
CG
PRO
D
100
−6.506
29.052
78.713
1.00
37.33
D

ATOM
3645
C
PRO
D
100
−8.887
29.748
76.080
1.00
34.53
D

ATOM
3646
O
PRO
D
100
−9.092
28.585
75.738
1.00
37.58
D

ATOM
3647
N
MET
D
101
−9.145
30.779
75.285
1.00
31.05
D

ATOM
3648
CA
MET
D
101
−9.681
30.586
73.942
1.00
30.79
D

ATOM
3649
CB
MET
D
101
−11.141
30.138
74.011
1.00
31.98
D

ATOM
3650
CG
MET
D
101
−12.097
31.266
74.441
1.00
34.04
D

ATOM
3651
SD
MET
D
101
−13.672
30.719
75.159
1.00
38.91
D

ATOM
3652
CE
MET
D
101
−14.781
31.803
74.365
1.00
41.89
D

ATOM
3653
C
MET
D
101
−9.630
31.909
73.205
1.00
27.96
D

ATOM
3654
O
MET
D
101
−9.347
32.948
73.790
1.00
32.03
D

ATOM
3655
N
ILE
D
102
−9.877
31.877
71.913
1.00
24.31
D

ATOM
3656
CA
ILE
D
102
−9.936
33.121
71.183
1.00
25.32
D

ATOM
3657
CB
ILE
D
102
−9.085
33.113
69.883
1.00
25.82
D

ATOM
3658
CG2
ILE
D
102
−9.330
34.404
69.098
1.00
20.09
D

ATOM
3659
CG1
ILE
D
102
−7.598
33.022
70.228
1.00
22.99
D

ATOM
3660
CD1
ILE
D
102
−6.696
32.990
69.040
1.00
23.58
D

ATOM
3661
C
ILE
D
102
−11.411
33.211
70.839
1.00
27.26
D

ATOM
3662
O
ILE
D
102
−11.919
32.415
70.045
1.00
27.11
D

ATOM
3663
N
LEU
D
103
−12.101
34.147
71.483
1.00
26.63
D

ATOM
3664
CA
LEU
D
103
−13.523
34.360
71.264
1.00
24.36
D

ATOM
3665
CB
LEU
D
103
−14.222
34.556
72.611
1.00
25.04
D

ATOM
3666
CG
LEU
D
103
−15.740
34.769
72.628
1.00
31.42
D

ATOM
3667
CD1
LEU
D
103
−16.409
33.719
71.765
1.00
25.36
D

ATOM
3668
CD2
LEU
D
103
−16.256
34.713
74.065
1.00
24.28
D

ATOM
3669
C
LEU
D
103
−13.724
35.579
70.372
1.00
23.28
D

ATOM
3670
O
LEU
D
103
−13.314
36.666
70.710
1.00
25.64
D

ATOM
3671
N
ASN
D
104
−14.341
35.382
69.215
1.00
28.92
D

ATOM
3672
CA
ASN
D
104
−14.590
36.466
68.262
1.00
27.55
D

ATOM
3673
CB
ASN
D
104
−15.831
37.274
68.666
1.00
26.75
D

ATOM
3674
CG
ASN
D
104
−17.112
36.449
68.625
1.00
30.77
D

ATOM
3675
OD1
ASN
D
104
−17.230
35.507
67.838
1.00
25.46
D

ATOM
3676
ND2
ASN
D
104
−18.085
36.811
69.468
1.00
26.22
D

ATOM
3677
C
ASN
D
104
−13.412
37.422
68.064
1.00
28.72
D

ATOM
3678
O
ASN
D
104
−13.545
38.634
68.237
1.00
27.80
D

ATOM
3679
N
GLY
D
105
−12.258
36.868
67.704
1.00
32.10
D

ATOM
3680
CA
GLY
D
105
−11.080
37.682
67.449
1.00
33.88
D

ATOM
3681
C
GLY
D
105
−10.254
38.176
68.626
1.00
36.77
D

ATOM
3682
O
GLY
D
105
−9.242
38.848
68.412
1.00
37.99
D

ATOM
3683
N
VAL
D
106
−10.649
37.863
69.860
1.00
34.93
D

ATOM
3684
CA
VAL
D
106
−9.873
38.331
70.999
1.00
34.41
D

ATOM
3685
CB
VAL
D
106
−10.565
39.562
71.682
1.00
36.14
D

ATOM
3686
CG1
VAL
D
106
−11.881
39.863
71.004
1.00
27.37
D

ATOM
3687
CG2
VAL
D
106
−10.734
39.320
73.183
1.00
33.28
D

ATOM
3688
C
VAL
D
106
−9.521
37.272
72.047
1.00
34.42
D

ATOM
3689
O
VAL
D
106
−10.366
36.505
72.498
1.00
34.71
D

ATOM
3690
N
CYS
D
107
−8.253
37.227
72.427
1.00
34.99
D

ATOM
3691
CA
CYS
D
107
−7.820
36.260
73.418
1.00
35.43
D

ATOM
3692
CB
CYS
D
107
−6.307
36.322
73.573
1.00
36.19
D

ATOM
3693
SG
CYS
D
107
−5.431
35.832
72.060
1.00
37.91
D

ATOM
3694
C
CYS
D
107
−8.501
36.519
74.750
1.00
34.04
D

ATOM
3695
O
CYS
D
107
−8.446
37.618
75.283
1.00
39.69
D

ATOM
3696
N
VAL
D
108
−9.162
35.502
75.279
1.00
30.89
D

ATOM
3697
CA
VAL
D
108
−9.844
35.642
76.544
1.00
27.72
D

ATOM
3698
CB
VAL
D
108
−11.359
35.863
76.341
1.00
28.16
D

ATOM
3699
CG1
VAL
D
108
−11.586
37.066
75.455
1.00
29.68
D

ATOM
3700
CG2
VAL
D
108
−12.004
34.620
75.752
1.00
23.27
D

ATOM
3701
C
VAL
D
108
−9.635
34.400
77.402
1.00
31.97
D

ATOM
3702
O
VAL
D
108
−9.074
33.400
76.949
1.00
35.59
D

ATOM
3703
N
ILE
D
109
−10.060
34.488
78.656
1.00
31.10
D

ATOM
3704
CA
ILE
D
109
−9.984
33.371
79.579
1.00
32.35
D

ATOM
3705
CB
ILE
D
109
−8.895
33.536
80.647
1.00
32.24
D

ATOM
3706
CG2
ILE
D
109
−8.932
32.340
81.575
1.00
35.08
D

ATOM
3707
CG1
ILE
D
109
−7.508
33.607
80.004
1.00
37.56
D

ATOM
3708
CD1
ILE
D
109
−6.355
33.595
81.003
1.00
39.93
D

ATOM
3709
C
ILE
D
109
−11.325
33.324
80.278
1.00
34.72
D

ATOM
3710
O
ILE
D
109
−11.819
34.333
80.778
1.00
35.13
D

ATOM
3711
N
TRP
D
110
−11.921
32.148
80.298
1.00
34.27
D

ATOM
3712
CA
TRP
D
110
−13.214
31.982
80.912
1.00
35.43
D

ATOM
3713
CB
TRP
D
110
−14.053
31.052
80.038
1.00
33.82
D

ATOM
3714
CG
TRP
D
110
−15.440
30.806
80.505
1.00
33.77
D

ATOM
3715
CD2
TRP
D
110
−15.843
29.940
81.563
1.00
33.62
D

ATOM
3716
CE2
TRP
D
110
−17.254
29.996
81.633
1.00
35.75
D

ATOM
3717
CE3
TRP
D
110
−15.151
29.118
82.463
1.00
36.28
D

ATOM
3718
CD1
TRP
D
110
−16.587
31.340
79.989
1.00
36.92
D

ATOM
3719
NE1
TRP
D
110
−17.679
30.860
80.659
1.00
35.50
D

ATOM
3720
CZ2
TRP
D
110
−17.992
29.257
82.573
1.00
36.90
D

ATOM
3721
CZ3
TRP
D
110
−15.889
28.380
83.406
1.00
36.06
D

ATOM
3722
CH2
TRP
D
110
−17.293
28.458
83.447
1.00
35.00
D

ATOM
3723
C
TRP
D
110
−12.962
31.370
82.280
1.00
39.79
D

ATOM
3724
O
TRP
D
110
−12.372
30.287
82.387
1.00
40.95
D

ATOM
3725
N
LYS
D
111
−13.376
32.082
83.325
1.00
40.28
D

ATOM
3726
CA
LYS
D
111
−13.213
31.606
84.695
1.00
41.34
D

ATOM
3727
CB
LYS
D
111
−12.256
32.492
85.492
1.00
41.40
D

ATOM
3728
CG
LYS
D
111
−10.803
32.195
85.286
1.00
45.87
D

ATOM
3729
CD
LYS
D
111
−9.957
33.355
85.757
1.00
52.47
D

ATOM
3730
CE
LYS
D
111
−8.483
33.108
85.481
1.00
59.00
D

ATOM
3731
NZ
LYS
D
111
−7.695
34.380
85.446
1.00
60.92
D

ATOM
3732
C
LYS
D
111
−14.559
31.645
85.358
1.00
41.65
D

ATOM
3733
O
LYS
D
111
−15.347
32.566
85.136
1.00
42.13
D

ATOM
3734
N
GLY
D
112
−14.815
30.634
86.171
1.00
41.13
D

ATOM
3735
CA
GLY
D
112
−16.066
30.560
86.889
1.00
42.25
D

ATOM
3736
C
GLY
D
112
−16.059
29.313
87.743
1.00
43.94
D

ATOM
3737
O
GLY
D
112
−15.103
28.528
87.726
1.00
44.53
D

ATOM
3738
N
TRP
D
113
−17.126
29.132
88.504
1.00
44.09
D

ATOM
3739
CA
TRP
D
113
−17.263
27.958
89.346
1.00
45.05
D

ATOM
3740
CB
TRP
D
113
−17.030
28.307
90.818
1.00
44.11
D

ATOM
3741
CG
TRP
D
113
−17.910
29.411
91.305
1.00
44.80
D

ATOM
3742
CD2
TRP
D
113
−19.263
29.291
91.775
1.00
46.20
D

ATOM
3743
CE2
TRP
D
113
−19.714
30.594
92.083
1.00
46.11
D

ATOM
3744
CE3
TRP
D
113
−20.138
28.208
91.963
1.00
45.98
D

ATOM
3745
CD1
TRP
D
113
−17.606
30.740
91.349
1.00
43.74
D

ATOM
3746
NE1
TRP
D
113
−18.684
31.457
91.813
1.00
44.74
D

ATOM
3747
CZ2
TRP
D
113
−21.007
30.848
92.573
1.00
44.69
D

ATOM
3748
CZ3
TRP
D
113
−21.431
28.461
92.452
1.00
43.10
D

ATOM
3749
CH2
TRP
D
113
−21.845
29.772
92.749
1.00
45.47
D

ATOM
3750
C
TRP
D
113
−18.680
27.459
89.153
1.00
45.09
D

ATOM
3751
O
TRP
D
113
−19.575
28.216
88.779
1.00
43.43
D

ATOM
3752
N
ILE
D
114
−18.890
26.180
89.403
1.00
46.97
D

ATOM
3753
CA
ILE
D
114
−20.217
25.625
89.247
1.00
49.55
D

ATOM
3754
CB
ILE
D
114
−20.337
24.868
87.887
1.00
49.68
D

ATOM
3755
CG2
ILE
D
114
−21.468
23.835
87.926
1.00
45.70
D

ATOM
3756
CG1
ILE
D
114
−20.538
25.905
86.775
1.00
49.94
D

ATOM
3757
CD1
ILE
D
114
−21.049
25.352
85.475
1.00
55.34
D

ATOM
3758
C
ILE
D
114
−20.572
24.727
90.417
1.00
50.84
D

ATOM
3759
O
ILE
D
114
−19.759
23.916
90.869
1.00
51.20
D

ATOM
3760
N
ASP
D
115
−21.787
24.905
90.923
1.00
51.47
D

ATOM
3761
CA
ASP
D
115
−22.266
24.108
92.040
1.00
51.83
D

ATOM
3762
CB
ASP
D
115
−23.589
24.679
92.561
1.00
55.34
D

ATOM
3763
CG
ASP
D
115
−23.958
24.138
93.928
1.00
57.00
D

ATOM
3764
OD1
ASP
D
115
−24.094
22.904
94.073
1.00
58.30
D

ATOM
3765
OD2
ASP
D
115
−24.110
24.954
94.860
1.00
59.07
D

ATOM
3766
C
ASP
D
115
−22.474
22.692
91.515
1.00
50.41
D

ATOM
3767
O
ASP
D
115
−23.304
22.471
90.629
1.00
46.97
D

ATOM
3768
N
LEU
D
116
−21.710
21.744
92.054
1.00
50.02
D

ATOM
3769
CA
LEU
D
116
−21.799
20.347
91.637
1.00
50.48
D

ATOM
3770
CB
LEU
D
116
−20.753
19.519
92.373
1.00
49.48
D

ATOM
3771
CG
LEU
D
116
−19.315
19.980
92.133
1.00
51.21
D

ATOM
3772
CD1
LEU
D
116
−18.352
19.231
93.042
1.00
46.84
D

ATOM
3773
CD2
LEU
D
116
−18.972
19.755
90.669
1.00
52.30
D

ATOM
3774
C
LEU
D
116
−23.184
19.768
91.888
1.00
51.98
D

ATOM
3775
O
LEU
D
116
−23.534
18.711
91.363
1.00
54.23
D

ATOM
3776
N
GLN
D
117
−23.973
20.476
92.687
1.00
53.27
D

ATOM
3777
CA
GLN
D
117
−25.324
20.049
93.020
1.00
54.64
D

ATOM
3778
CB
GLN
D
117
−25.636
20.448
94.469
1.00
60.59
D

ATOM
3779
CG
GLN
D
117
−26.676
19.601
95.192
1.00
67.61
D

ATOM
3780
CD
GLN
D
117
−26.110
18.283
95.693
1.00
73.15
D

ATOM
3781
OE1
GLN
D
117
−25.882
17.354
94.915
1.00
76.27
D

ATOM
3782
NE2
GLN
D
117
−25.868
18.201
97.001
1.00
73.94
D

ATOM
3783
C
GLN
D
117
−26.307
20.741
92.069
1.00
53.30
D

ATOM
3784
O
GLN
D
117
−27.051
20.091
91.337
1.00
51.37
D

ATOM
3785
N
ARG
D
118
−26.291
22.071
92.086
1.00
50.44
D

ATOM
3786
CA
ARG
D
118
−27.178
22.864
91.252
1.00
49.79
D

ATOM
3787
CB
ARG
D
118
−27.186
24.316
91.725
1.00
54.97
D

ATOM
3788
CG
ARG
D
118
−27.701
24.547
93.130
1.00
56.83
D

ATOM
3789
CD
ARG
D
118
−27.940
26.032
93.357
1.00
60.48
D

ATOM
3790
NE
ARG
D
118
−28.831
26.591
92.340
1.00
64.97
D

ATOM
3791
CZ
ARG
D
118
−29.419
27.780
92.428
1.00
68.50
D

ATOM
3792
NH1
ARG
D
118
−29.214
28.545
93.493
1.00
72.02
D

ATOM
3793
NH2
ARG
D
118
−30.214
28.205
91.454
1.00
68.85
D

ATOM
3794
C
ARG
D
118
−26.797
22.843
89.782
1.00
48.52
D

ATOM
3795
O
ARG
D
118
−27.654
23.017
88.913
1.00
46.76
D

ATOM
3796
N
LEU
D
119
−25.505
22.651
89.515
1.00
47.25
D

ATOM
3797
CA
LEU
D
119
−24.965
22.619
88.159
1.00
45.11
D

ATOM
3798
CB
LEU
D
119
−25.704
21.595
87.291
1.00
40.84
D

ATOM
3799
CG
LEU
D
119
−25.451
20.123
87.635
1.00
37.84
D

ATOM
3800
CD1
LEU
D
119
−26.184
19.256
86.637
1.00
35.52
D

ATOM
3801
CD2
LEU
D
119
−23.951
19.819
87.606
1.00
38.02
D

ATOM
3802
C
LEU
D
119
−24.999
23.982
87.489
1.00
46.38
D

ATOM
3803
O
LEU
D
119
−25.043
24.089
86.269
1.00
49.62
D

ATOM
3804
N
ASP
D
120
−24.990
25.028
88.300
1.00
48.09
D

ATOM
3805
CA
ASP
D
120
−24.976
26.388
87.790
1.00
48.62
D

ATOM
3806
CB
ASP
D
120
−26.382
27.003
87.822
1.00
53.45
D

ATOM
3807
CG
ASP
D
120
−26.810
27.438
89.212
1.00
59.98
D

ATOM
3808
OD1
ASP
D
120
−26.532
26.713
90.186
1.00
63.49
D

ATOM
3809
OD2
ASP
D
120
−27.439
28.508
89.329
1.00
64.29
D

ATOM
3810
C
ASP
D
120
−24.031
27.122
88.725
1.00
46.78
D

ATOM
3811
O
ASP
D
120
−23.569
26.543
89.716
1.00
44.23
D

ATOM
3812
N
GLY
D
121
−23.722
28.374
88.413
1.00
44.48
D

ATOM
3813
CA
GLY
D
121
−22.823
29.122
89.268
1.00
43.22
D

ATOM
3814
C
GLY
D
121
−22.493
30.513
88.773
1.00
44.31
D

ATOM
3815
O
GLY
D
121
−23.302
31.178
88.122
1.00
41.81
D

ATOM
3816
N
MET
D
122
−21.283
30.955
89.089
1.00
44.34
D

ATOM
3817
CA
MET
D
122
−20.840
32.275
88.683
1.00
45.06
D

ATOM
3818
CB
MET
D
122
−20.545
33.145
89.919
1.00
46.43
D

ATOM
3819
CG
MET
D
122
−21.741
33.395
90.812
1.00
42.23
D

ATOM
3820
SD
MET
D
122
−23.133
34.090
89.909
1.00
49.30
D

ATOM
3821
CE
MET
D
122
−22.806
35.846
90.054
1.00
44.68
D

ATOM
3822
C
MET
D
122
−19.593
32.176
87.826
1.00
43.84
D

ATOM
3823
O
MET
D
122
−18.706
31.366
88.097
1.00
42.51
D

ATOM
3824
N
GLY
D
123
−19.527
33.004
86.788
1.00
42.95
D

ATOM
3825
CA
GLY
D
123
−18.359
32.996
85.931
1.00
41.94
D

ATOM
3826
C
GLY
D
123
−18.288
34.230
85.066
1.00
41.98
D

ATOM
3827
O
GLY
D
123
−19.227
35.023
85.028
1.00
45.32
D

ATOM
3828
N
CYS
D
124
−17.172
34.399
84.368
1.00
40.77
D

ATOM
3829
CA
CYS
D
124
−17.010
35.544
83.486
1.00
40.42
D

ATOM
3830
CB
CYS
D
124
−16.814
36.811
84.309
1.00
42.05
D

ATOM
3831
SG
CYS
D
124
−15.217
36.821
85.174
1.00
53.39
D

ATOM
3832
C
CYS
D
124
−15.819
35.391
82.548
1.00
38.93
D

ATOM
3833
O
CYS
D
124
−15.023
34.464
82.661
1.00
36.29
D

ATOM
3834
N
LEU
D
125
−15.705
36.341
81.636
1.00
39.37
D

ATOM
3835
CA
LEU
D
125
−14.619
36.380
80.683
1.00
41.19
D

ATOM
3836
CB
LEU
D
125
−15.143
36.861
79.331
1.00
38.10
D

ATOM
3837
CG
LEU
D
125
−15.210
35.876
78.169
1.00
42.37
D

ATOM
3838
CD1
LEU
D
125
−15.362
34.440
78.669
1.00
42.60
D

ATOM
3839
CD2
LEU
D
125
−16.363
36.278
77.276
1.00
37.40
D

ATOM
3840
C
LEU
D
125
−13.560
37.351
81.196
1.00
44.98
D

ATOM
3841
O
LEU
D
125
−13.877
38.302
81.910
1.00
43.58
D

ATOM
3842
N
GLU
D
126
−12.309
37.096
80.816
1.00
47.79
D

ATOM
3843
CA
GLU
D
126
−11.161
37.920
81.180
1.00
47.99
D

ATOM
3844
CB
GLU
D
126
−10.339
37.252
82.277
1.00
50.77
D

ATOM
3845
CG
GLU
D
126
−10.713
37.601
83.679
1.00
57.05
D

ATOM
3846
CD
GLU
D
126
−9.924
36.784
84.677
1.00
62.65
D

ATOM
3847
OE1
GLU
D
126
−8.681
36.739
84.554
1.00
62.53
D

ATOM
3848
OE2
GLU
D
126
−10.548
36.188
85.582
1.00
68.55
D

ATOM
3849
C
GLU
D
126
−10.262
38.042
79.965
1.00
48.41
D

ATOM
3850
O
GLU
D
126
−9.948
37.036
79.330
1.00
47.59
D

ATOM
3851
N
PHE
D
127
−9.837
39.260
79.647
1.00
48.29
D

ATOM
3852
CA
PHE
D
127
−8.935
39.475
78.522
1.00
49.42
D

ATOM
3853
CB
PHE
D
127
−8.758
40.972
78.272
1.00
47.62
D

ATOM
3854
CG
PHE
D
127
−7.797
41.296
77.159
1.00
50.03
D

ATOM
3855
CD1
PHE
D
127
−8.034
40.845
75.860
1.00
44.74
D

ATOM
3856
CD2
PHE
D
127
−6.674
42.090
77.403
1.00
48.47
D

ATOM
3857
CE1
PHE
D
127
−7.180
41.180
74.819
1.00
47.40
D

ATOM
3858
CE2
PHE
D
127
−5.806
42.434
76.365
1.00
51.43
D

ATOM
3859
CZ
PHE
D
127
−6.062
41.978
75.066
1.00
50.00
D

ATOM
3860
C
PHE
D
127
−7.584
38.836
78.866
1.00
52.80
D

ATOM
3861
O
PHE
D
127
−7.015
39.091
79.927
1.00
51.97
D

ATOM
3862
N
ASP
D
128
−7.070
38.001
77.972
1.00
54.93
D

ATOM
3863
CA
ASP
D
128
−5.800
37.329
78.223
1.00
55.92
D

ATOM
3864
CB
ASP
D
128
−5.896
35.870
77.763
1.00
57.37
D

ATOM
3865
CG
ASP
D
128
−4.713
35.035
78.208
1.00
59.20
D

ATOM
3866
OD1
ASP
D
128
−3.626
35.608
78.445
1.00
63.00
D

ATOM
3867
OD2
ASP
D
128
−4.862
33.800
78.305
1.00
59.97
D

ATOM
3868
C
ASP
D
128
−4.657
38.054
77.495
1.00
57.15
D

ATOM
3869
O
ASP
D
128
−4.271
37.682
76.379
1.00
53.80
D

ATOM
3870
N
GLU
D
129
−4.124
39.085
78.150
1.00
59.48
D

ATOM
3871
CA
GLU
D
129
−3.041
39.909
77.609
1.00
62.03
D

ATOM
3872
CB
GLU
D
129
−2.575
40.919
78.651
1.00
67.03
D

ATOM
3873
CG
GLU
D
129
−3.370
42.203
78.686
1.00
74.59
D

ATOM
3874
CD
GLU
D
129
−2.796
43.184
79.685
1.00
78.87
D

ATOM
3875
OE1
GLU
D
129
−1.630
43.602
79.506
1.00
80.16
D

ATOM
3876
OE2
GLU
D
129
−3.505
43.527
80.656
1.00
81.80
D

ATOM
3877
C
GLU
D
129
−1.816
39.178
77.083
1.00
60.28
D

ATOM
3878
O
GLU
D
129
−1.364
39.443
75.963
1.00
59.39
D

ATOM
3879
N
GLU
D
130
−1.257
38.283
77.892
1.00
58.70
D

ATOM
3880
CA
GLU
D
130
−0.077
37.548
77.460
1.00
61.09
D

ATOM
3881
CB
GLU
D
130
0.381
36.568
78.551
1.00
63.54
D

ATOM
3882
CG
GLU
D
130
1.636
35.778
78.186
1.00
67.94
D

ATOM
3883
CD
GLU
D
130
2.201
34.972
79.349
1.00
72.22
D

ATOM
3884
OE1
GLU
D
130
1.447
34.169
79.949
1.00
72.20
D

ATOM
3885
OE2
GLU
D
130
3.406
35.138
79.656
1.00
71.99
D

ATOM
3886
C
GLU
D
130
−0.346
36.807
76.142
1.00
61.20
D

ATOM
3887
O
GLU
D
130
0.350
37.037
75.150
1.00
61.12
D

ATOM
3888
N
ARG
D
131
−1.361
35.941
76.121
1.00
60.76
D

ATOM
3889
CA
ARG
D
131
−1.682
35.194
74.907
1.00
59.96
D

ATOM
3890
CB
ARG
D
131
−2.739
34.111
75.183
1.00
60.14
D

ATOM
3891
CG
ARG
D
131
−2.357
33.154
76.315
1.00
65.06
D

ATOM
3892
CD
ARG
D
131
−3.070
31.796
76.249
1.00
67.01
D

ATOM
3893
NE
ARG
D
131
−2.799
30.982
77.442
1.00
67.59
D

ATOM
3894
CZ
ARG
D
131
−3.015
29.669
77.534
1.00
68.47
D

ATOM
3895
NH1
ARG
D
131
−3.505
28.991
76.502
1.00
67.19
D

ATOM
3896
NH2
ARG
D
131
−2.746
29.030
78.665
1.00
68.04
D

ATOM
3897
C
ARG
D
131
−2.164
36.124
73.804
1.00
58.66
D

ATOM
3898
O
ARG
D
131
−2.002
35.833
72.626
1.00
59.38
D

ATOM
3899
N
ALA
D
132
−2.747
37.252
74.180
1.00
57.28
D

ATOM
3900
CA
ALA
D
132
−3.232
38.185
73.177
1.00
59.68
D

ATOM
3901
CB
ALA
D
132
−4.128
39.235
73.816
1.00
58.96
D

ATOM
3902
C
ALA
D
132
−2.061
38.853
72.497
1.00
61.96
D

ATOM
3903
O
ALA
D
132
−2.163
39.269
71.345
1.00
62.19
D

ATOM
3904
N
GLN
D
133
−0.948
38.953
73.220
1.00
64.84
D

ATOM
3905
CA
GLN
D
133
0.253
39.591
72.695
1.00
66.77
D

ATOM
3906
CB
GLN
D
133
1.014
40.289
73.822
1.00
68.20
D

ATOM
3907
CG
GLN
D
133
0.352
41.568
74.304
1.00
68.90
D

ATOM
3908
CD
GLN
D
133
1.236
42.371
75.240
1.00
68.95
D

ATOM
3909
OE1
GLN
D
133
0.892
43.489
75.626
1.00
68.24
D

ATOM
3910
NE2
GLN
D
133
2.382
41.803
75.613
1.00
69.63
D

ATOM
3911
C
GLN
D
133
1.194
38.659
71.949
1.00
67.12
D

ATOM
3912
O
GLN
D
133
2.055
39.116
71.199
1.00
67.73
D

ATOM
3913
N
GLN
D
134
1.038
37.358
72.155
1.00
67.74
D

ATOM
3914
CA
GLN
D
134
1.878
36.381
71.478
1.00
69.36
D

ATOM
3915
CB
GLN
D
134
1.939
35.088
72.291
1.00
70.36
D

ATOM
3916
CG
GLN
D
134
2.494
35.272
73.694
1.00
74.36
D

ATOM
3917
CD
GLN
D
134
2.446
33.995
74.517
1.00
76.77
D

ATOM
3918
OE1
GLN
D
134
1.374
33.439
74.760
1.00
78.04
D

ATOM
3919
NE2
GLN
D
134
3.610
33.524
74.951
1.00
76.78
D

ATOM
3920
C
GLN
D
134
1.317
36.100
70.084
1.00
71.20
D

ATOM
3921
O
GLN
D
134
1.929
35.392
69.285
1.00
71.01
D

ATOM
3922
N
GLU
D
135
0.146
36.664
69.799
1.00
72.73
D

ATOM
3923
CA
GLU
D
135
−0.499
36.480
68.503
1.00
74.02
D

ATOM
3924
CB
GLU
D
135
−2.004
36.753
68.605
1.00
72.83
D

ATOM
3925
CG
GLU
D
135
−2.807
35.698
69.359
1.00
71.50
D

ATOM
3926
CD
GLU
D
135
−2.831
34.355
68.655
1.00
70.06
D

ATOM
3927
OE1
GLU
D
135
−2.896
34.335
67.404
1.00
66.72
D

ATOM
3928
OE2
GLU
D
135
−2.802
33.321
69.356
1.00
69.82
D

ATOM
3929
C
GLU
D
135
0.112
37.418
67.473
1.00
75.50
D

ATOM
3930
OT1
GLU
D
135
−0.652
38.189
66.855
1.00
76.43
D

ATOM
3931
OT2
GLU
D
135
1.348
37.366
67.296
1.00
77.20
D

END

[0310]

4

TABLE 4

REMARK coordinates from restrained individual B-factor refinement

REMARK refinement resolution: 500.0-2.6 A

REMARK starting r = 0.2391 free_r = 0.2748

REMARK final r = 0.2373 free_r = 0.2731

REMARK B rmsd for bonded mainchain atoms = 1.189 target = 1.5

REMARK B rmsd for bonded sidechain atoms = 1.805 target = 2.0

REMARK B rmsd for angle mainchain atoms = 2.070 target = 2.0

REMARK B rmsd for angle sidechain atoms = 2.761 target = 2.5

REMARK rweight = 0.0204 (with wa = 0.661678)

REMARK target = mlf steps = 30

REMARK sg = P4(3)2(1)2 a = 115.0331 b = 115.0331 c = 133.9252 alpha = 90 beta = 90

gamma = 90

REMARK parameter file 1: CNS_TOPPAR: protein_rep.param

REMARK parameter file 2: CNS_TOPPAR: dna-rna_rep.param

REMARK parameter file 3: CNS_TOPPAR: water_rep.param

REMARK molecular structure file: aml_07Dec00_g.mtf

REMARK input coordinates: aml_07Dec00_m.pdb

REMARK reflection file = . . . /c36_p43212.cv

REMARK ncs = restrain ncs file = ncs.def

REMARK B-correction resolution: 6.0-2.6

REMARK initial B-factor correction applied to fobs:

REMARK B11 = −8.893 B22 = −8.893 B33 = 17.786

REMARK B12 = 0.000 B13 = 0.000 B23 = 0.000

REMARK B-factor correction applied to coordinate array B: −0.655

REMARK bulk solvent: density level = 0.380253 e/A{circumflex over ( )}3, B-factor = 44.2281 A{circumflex over ( )}2

REMARK reflections with |Fobs|/sigma_F < 0.0 rejected

REMARK reflections with |Fobs| > 10000 * rms(Fobs) rejected

REMARK theoretical total number of refl. in resol. range: 28287 (100.0%)

REMARK number of unobserved reflections (no entry or |F| =0): 361 (1.3%)

REMARK number of reflections rejected: 0 (0.0%)

REMARK total number of reflections used: 27926 (98.7%)

REMARK number of reflections in working set: 25654 (90.7%)

REMARK number of reflections in test set: 2272 (8.0%)

CRYST1 115.033 115.033 133.925 90.00 90.00 90.00 P 43 21 2

REMARK

FILENAME = “/rlwgrp2/jero/ajw/esrf_oct00/c36/cns/a2h/aml_07Dec00_b.pdb”

REMARK DATE: 7-Dec-00 18:18:51 created by user: root

REMARK VERSION: 1.0

ATOM
1
CB
ALA
A
54
121.805
154.471
72.415
0.00
78.59
A

ATOM
2
C
ALA
A
54
123.574
154.993
70.716
0.00
78.96
A

ATOM
3
O
ALA
A
54
124.475
155.692
70.237
0.00
78.86
A

ATOM
4
N
ALA
A
54
122.228
156.807
71.753
0.00
78.62
A

ATOM
5
CA
ALA
A
54
122.861
155.474
71.990
0.00
78.77
A

ATOM
6
N
ALA
A
55
123.135
153.848
70.136
0.00
79.49
A

ATOM
7
CA
ALA
A
55
123.766
153.298
68.917
0.00
79.92
A

ATOM
8
CB
ALA
A
55
123.970
151.778
69.045
0.00
79.93
A

ATOM
9
C
ALA
A
55
123.031
153.604
67.608
0.00
80.20
A

ATOM
10
O
ALA
A
55
123.648
154.073
66.651
0.00
80.27
A

ATOM
11
N
ALA
A
56
121.727
153.328
67.565
0.00
80.48
A

ATOM
12
CA
ALA
A
56
120.904
153.576
66.371
0.00
80.61
A

ATOM
13
CB
ALA
A
56
121.021
155.060
65.968
0.00
80.72
A

ATOM
14
C
ALA
A
56
121.309
152.663
65.191
0.00
80.49
A

ATOM
15
O
ALA
A
56
122.437
152.787
64.705
0.00
80.77
A

ATOM
16
N
ALA
A
57
120.399
151.779
64.724
1.00
80.39
A

ATOM
17
CA
ALA
A
57
120.694
150.833
63.613
1.00
78.86
A

ATOM
18
CB
ALA
A
57
122.209
150.553
63.594
1.00
79.73
A

ATOM
19
C
ALA
A
57
119.970
149.454
63.591
1.00
77.96
A

ATOM
20
O
ALA
A
57
120.570
148.455
64.055
1.00
78.58
A

ATOM
21
N
HIS
A
58
118.761
149.333
63.019
1.00
75.64
A

ATOM
22
CA
HIS
A
58
118.098
148.004
63.047
1.00
72.57
A

ATOM
23
CB
HIS
A
58
117.350
147.842
64.400
1.00
75.27
A

ATOM
24
CG
HIS
A
58
115.878
148.185
64.347
1.00
78.58
A

ATOM
25
CD2
HIS
A
58
115.159
149.138
64.996
1.00
79.75
A

ATOM
26
ND1
HIS
A
58
114.966
147.460
63.594
1.00
79.33
A

ATOM
27
CE1
HIS
A
58
113.751
147.948
63.784
1.00
80.34
A

ATOM
28
NE2
HIS
A
58
113.837
148.964
64.631
1.00
81.89
A

ATOM
29
C
HIS
A
58
117.160
147.486
61.933
1.00
68.30
A

ATOM
30
O
HIS
A
58
116.957
146.273
61.833
1.00
68.88
A

ATOM
31
N
PRO
A
59
116.558
148.370
61.109
1.00
63.81
A

ATOM
32
CD
PRO
A
59
116.612
149.836
61.121
1.00
62.32
A

ATOM
33
CA
PRO
A
59
115.640
147.929
60.052
1.00
60.08
A

ATOM
34
CB
PRO
A
59
115.320
149.219
59.315
1.00
59.30
A

ATOM
35
CG
PRO
A
59
115.374
150.189
60.344
1.00
60.57
A

ATOM
36
C
PRO
A
59
116.150
146.864
59.111
1.00
57.19
A

ATOM
37
O
PRO
A
59
115.391
146.037
58.632
1.00
55.71
A

ATOM
38
N
GLY
A
60
117.448
146.925
58.828
1.00
55.51
A

ATOM
39
CA
GLY
A
60
118.081
145.989
57.925
1.00
52.11
A

ATOM
40
C
GLY
A
60
117.934
146.284
56.438
1.00
50.92
A

ATOM
41
O
GLY
A
60
117.859
147.423
56.007
1.00
51.10
A

ATOM
42
N
GLU
A
61
117.873
145.224
55.655
1.00
48.71
A

ATOM
43
CA
GLU
A
61
117.772
145.293
54.217
1.00
47.54
A

ATOM
44
CB
GLU
A
61
118.354
144.018
53.705
1.00
50.06
A

ATOM
45
CG
GLU
A
61
118.083
143.821
52.290
1.00
56.16
A

ATOM
46
CD
GLU
A
61
119.305
144.018
51.479
1.00
58.82
A

ATOM
47
OE1
GLU
A
61
119.703
145.204
51.301
1.00
60.71
A

ATOM
48
OE2
GLU
A
61
119.859
142.967
51.053
1.00
59.21
A

ATOM
49
C
GLU
A
61
116.325
145.460
53.722
1.00
45.18
A

ATOM
50
O
GLU
A
61
115.556
144.500
53.727
1.00
45.45
A

ATOM
51
N
LEU
A
62
115.955
146.652
53.263
1.00
41.60
A

ATOM
52
CA
LEU
A
62
114.572
146.905
52.870
1.00
37.79
A

ATOM
53
CB
LEU
A
62
114.031
148.127
53.640
1.00
37.37
A

ATOM
54
CG
LEU
A
62
114.196
148.167
55.174
1.00
37.06
A

ATOM
55
CD1
LEU
A
62
113.745
149.536
55.792
1.00
36.59
A

ATOM
56
CD2
LEU
A
62
113.401
147.012
55.756
1.00
36.81
A

ATOM
57
C
LEU
A
62
114.351
147.147
51.426
1.00
35.89
A

ATOM
58
O
LEU
A
62
115.247
147.604
50.725
1.00
35.12
A

ATOM
59
N
VAL
A
63
113.131
146.869
50.994
1.00
33.87
A

ATOM
60
CA
VAL
A
63
112.739
147.117
49.613
1.00
33.61
A

ATOM
61
CB
VAL
A
63
112.648
145.854
48.767
1.00
32.78
A

ATOM
62
CG1
VAL
A
63
113.981
145.266
48.678
1.00
32.46
A

ATOM
63
CG2
VAL
A
63
111.705
144.868
49.349
1.00
32.47
A

ATOM
64
C
VAL
A
63
111.406
147.755
49.618
1.00
33.83
A

ATOM
65
O
VAL
A
63
110.694
147.686
50.600
1.00
34.75
A

ATOM
66
N
ARG
A
64
111.044
148.333
48.495
1.00
34.54
A

ATOM
67
CA
ARG
A
64
109.774
149.027
48.396
1.00
34.70
A

ATOM
68
CB
ARG
A
64
109.746
149.945
47.184
1.00
33.85
A

ATOM
69
CG
ARG
A
64
110.624
151.100
47.304
1.00
35.64
A

ATOM
70
CD
ARG
A
64
110.364
151.912
46.097
1.00
39.94
A

ATOM
71
NE
ARG
A
64
111.164
153.135
46.028
1.00
44.04
A

ATOM
72
CZ
ARG
A
64
111.071
154.166
46.871
1.00
44.33
A

ATOM
73
NH1
ARG
A
64
110.204
154.156
47.895
1.00
42.71
A

ATOM
74
NH2
ARG
A
64
111.866
155.208
46.666
1.00
45.29
A

ATOM
75
C
ARG
A
64
108.676
148.074
48.254
1.00
33.13
A

ATOM
76
O
ARG
A
64
108.869
147.021
47.750
1.00
35.16
A

ATOM
77
N
THR
A
65
107.519
148.429
48.725
1.00
32.07
A

ATOM
78
CA
THR
A
65
106.417
147.541
48.505
1.00
30.87
A

ATOM
79
CB
THR
A
65
105.482
147.431
49.722
1.00
29.09
A

ATOM
80
OG1
THR
A
65
104.748
148.655
49.857
1.00
27.91
A

ATOM
81
CG2
THR
A
65
106.263
147.155
50.970
1.00
27.11
A

ATOM
82
C
THR
A
65
105.672
148.281
47.411
1.00
31.70
A

ATOM
83
O
THR
A
65
106.122
149.333
46.973
1.00
32.17
A

ATOM
84
N
ASP
A
66
104.530
147.754
46.985
1.00
31.73
A

ATOM
85
CA
ASP
A
66
103.721
148.421
45.980
1.00
31.66
A

ATOM
86
CB
ASP
A
66
102.661
147.498
45.368
1.00
32.40
A

ATOM
87
CG
ASP
A
66
103.256
146.386
44.568
1.00
35.11
A

ATOM
88
OD1
ASP
A
66
104.390
146.578
44.057
1.00
38.19
A

ATOM
89
OD2
ASP
A
66
102.607
145.324
44.451
1.00
34.50
A

ATOM
90
C
ASP
A
66
102.970
149.585
46.611
1.00
32.17
A

ATOM
91
O
ASP
A
66
102.141
150.216
45.940
1.00
34.33
A

ATOM
92
N
SER
A
67
103.209
149.869
47.884
1.00
30.67
A

ATOM
93
CA
SER
A
67
102.534
150.986
48.492
1.00
30.41
A

ATOM
94
CB
SER
A
67
101.845
150.582
49.797
1.00
30.65
A

ATOM
95
OG
SER
A
67
101.630
151.725
50.615
1.00
29.34
A

ATOM
96
C
SER
A
67
103.555
152.071
48.779
1.00
30.34
A

ATOM
97
O
SER
A
67
104.658
151.793
49.164
1.00
32.01
A

ATOM
98
N
PRO
A
68
103.183
153.318
48.590
1.00
29.68
A

ATOM
99
CD
PRO
A
68
101.884
153.705
47.990
1.00
30.07
A

ATOM
100
CA
PRO
A
68
104.060
154.463
48.835
1.00
29.32
A

ATOM
101
CB
PRO
A
68
103.344
155.608
48.116
1.00
29.75
A

ATOM
102
CG
PRO
A
68
101.842
155.192
48.229
1.00
31.39
A

ATOM
103
C
PRO
A
68
104.221
154.767
50.316
1.00
29.03
A

ATOM
104
O
PRO
A
68
104.914
155.702
50.697
1.00
29.56
A

ATOM
105
N
ASN
A
69
103.573
153.975
51.156
1.00
29.41
A

ATOM
106
CA
ASN
A
69
103.635
154.206
52.601
1.00
28.86
A

ATOM
107
CB
ASN
A
69
102.225
154.410
53.209
1.00
28.48
A

ATOM
108
CG
ASN
A
69
102.263
155.394
54.344
1.00
31.64
A

ATOM
109
OD1
ASN
A
69
103.195
156.199
54.389
1.00
35.05
A

ATOM
110
ND2
ASN
A
69
101.292
155.367
55.262
1.00
30.14
A

ATOM
111
C
ASN
A
69
104.337
153.099
53.358
1.00
28.44
A

ATOM
112
O
ASN
A
69
104.351
153.103
54.584
1.00
28.34
A

ATOM
113
N
PHE
A
70
104.913
152.132
52.650
1.00
28.40
A

ATOM
114
CA
PHE
A
70
105.570
151.041
53.374
1.00
28.37
A

ATOM
115
CB
PHE
A
70
104.602
149.885
53.680
1.00
27.32
A

ATOM
116
CG
PHE
A
70
103.391
150.291
54.428
1.00
26.92
A

ATOM
117
CD1
PHE
A
70
102.237
150.663
53.764
1.00
24.04
A

ATOM
118
CD2
PHE
A
70
103.438
150.413
55.821
1.00
26.89
A

ATOM
119
CE1
PHE
A
70
101.144
151.174
54.490
1.00
26.56
A

ATOM
120
CE2
PHE
A
70
102.334
150.926
56.535
1.00
27.80
A

ATOM
121
CZ
PHE
A
70
101.189
151.313
55.875
1.00
25.26
A

ATOM
122
C
PHE
A
70
106.716
150.405
52.642
1.00
29.14
A

ATOM
123
O
PHE
A
70
106.705
150.274
51.435
1.00
30.85
A

ATOM
124
N
LEU
A
71
107.701
149.987
53.404
1.00
29.58
A

ATOM
125
CA
LEU
A
71
108.826
149.274
52.870
1.00
28.89
A

ATOM
126
CB
LEU
A
71
110.106
150.004
53.240
1.00
26.89
A

ATOM
127
CG
LEU
A
71
110.340
151.432
52.803
1.00
28.10
A

ATOM
128
CD1
LEU
A
71
111.798
151.833
53.194
1.00
25.31
A

ATOM
129
CD2
LEU
A
71
110.097
151.591
51.279
1.00
25.66
A

ATOM
130
C
LEU
A
71
108.782
147.891
53.611
1.00
29.76
A

ATOM
131
O
LEU
A
71
108.124
147.726
54.649
1.00
30.51
A

ATOM
132
N
CYS
A
72
109.420
146.872
53.077
1.00
29.19
A

ATOM
133
CA
CYS
A
72
109.492
145.660
53.881
1.00
31.23
A

ATOM
134
CB
CYS
A
72
108.356
144.696
53.546
1.00
30.42
A

ATOM
135
SG
CYS
A
72
108.556
143.871
51.981
1.00
33.44
A

ATOM
136
C
CYS
A
72
110.887
145.000
53.695
1.00
31.06
A

ATOM
137
O
CYS
A
72
111.641
145.382
52.813
1.00
31.82
A

ATOM
138
N
SER
A
73
111.240
144.046
54.536
1.00
31.97
A

ATOM
139
CA
SER
A
73
112.534
143.382
54.416
1.00
33.13
A

ATOM
140
CB
SER
A
73
112.746
142.333
55.509
1.00
32.76
A

ATOM
141
OG
SER
A
73
112.335
142.831
56.752
1.00
37.23
A

ATOM
142
C
SER
A
73
112.585
142.636
53.099
1.00
33.33
A

ATOM
143
O
SER
A
73
111.555
142.310
52.509
1.00
33.85
A

ATOM
144
N
VAL
A
74
113.800
142.354
52.677
1.00
32.21
A

ATOM
145
CA
VAL
A
74
114.059
141.611
51.496
1.00
33.13
A

ATOM
146
CB
VAL
A
74
115.512
141.909
51.007
1.00
35.49
A

ATOM
147
CG1
VAL
A
74
115.927
140.942
49.948
1.00
35.23
A

ATOM
148
CG2
VAL
A
74
115.563
143.332
50.460
1.00
35.82
A

ATOM
149
C
VAL
A
74
113.927
140.146
51.887
1.00
31.58
A

ATOM
150
O
VAL
A
74
114.449
139.732
52.893
1.00
31.89
A

ATOM
151
N
LEU
A
75
113.233
139.372
51.080
1.00
30.67
A

ATOM
152
CA
LEU
A
75
113.041
137.959
51.342
1.00
29.90
A

ATOM
153
CB
LEU
A
75
111.592
137.606
51.102
1.00
28.35
A

ATOM
154
CG
LEU
A
75
110.616
138.076
52.156
1.00
27.35
A

ATOM
155
CD1
LEU
A
75
109.181
137.922
51.659
1.00
25.52
A

ATOM
156
CD2
LEU
A
75
110.899
137.241
53.437
1.00
25.42
A

ATOM
157
C
LEU
A
75
113.880
137.109
50.392
1.00
31.81
A

ATOM
158
O
LEU
A
75
114.266
137.542
49.304
1.00
32.66
A

ATOM
159
N
PRO
A
76
114.168
135.877
50.785
1.00
32.77
A

ATOM
160
CD
PRO
A
76
113.675
135.168
51.985
1.00
32.79
A

ATOM
161
CA
PRO
A
76
114.957
135.013
49.892
1.00
31.76
A

ATOM
162
CB
PRO
A
76
115.096
133.709
50.659
1.00
31.25
A

ATOM
163
CG
PRO
A
76
114.665
134.036
52.081
1.00
33.58
A

ATOM
164
C
PRO
A
76
114.085
134.796
48.681
1.00
32.51
A

ATOM
165
O
PRO
A
76
112.860
134.795
48.789
1.00
33.70
A

ATOM
166
N
THR
A
77
114.696
134.593
47.529
1.00
33.67
A

ATOM
167
CA
THR
A
77
113.922
134.367
46.303
1.00
34.58
A

ATOM
168
CB
THR
A
77
114.867
134.304
45.072
1.00
36.17
A

ATOM
169
OG1
THR
A
77
115.252
135.627
44.710
1.00
39.47
A

ATOM
170
CG2
THR
A
77
114.156
133.718
43.865
1.00
38.34
A

ATOM
171
C
THR
A
77
113.141
133.067
46.333
1.00
34.54
A

ATOM
172
O
THR
A
77
112.015
132.977
45.808
1.00
35.01
A

ATOM
173
N
HIS
A
78
113.794
132.058
46.898
1.00
32.92
A

ATOM
174
CA
HIS
A
78
113.281
130.716
46.997
1.00
33.13
A

ATOM
175
CB
HIS
A
78
114.057
129.856
45.994
1.00
31.65
A

ATOM
176
CG
HIS
A
78
113.691
128.412
46.001
1.00
31.69
A

ATOM
177
CD2
HIS
A
78
112.540
127.776
46.329
1.00
31.77
A

ATOM
178
ND1
HIS
A
78
114.540
127.445
45.514
1.00
31.66
A

ATOM
179
CE1
HIS
A
78
113.926
126.274
45.532
1.00
30.75
A

ATOM
180
NE2
HIS
A
78
112.711
126.449
46.020
1.00
31.25
A

ATOM
181
C
HIS
A
78
113.573
130.252
48.445
1.00
33.65
A

ATOM
182
O
HIS
A
78
114.706
130.441
48.971
1.00
33.27
A

ATOM
183
N
TRP
A
79
112.562
129.665
49.091
1.00
31.97
A

ATOM
184
CA
TRP
A
79
112.728
129.167
50.456
1.00
30.51
A

ATOM
185
CB
TRP
A
79
112.351
130.214
51.495
1.00
28.72
A

ATOM
186
CG
TRP
A
79
112.994
129.985
52.805
1.00
28.24
A

ATOM
187
CD2
TRP
A
79
114.397
130.061
53.082
1.00
27.36
A

ATOM
188
CE2
TRP
A
79
114.563
129.845
54.478
1.00
27.95
A

ATOM
189
CE3
TRP
A
79
115.538
130.292
52.286
1.00
27.33
A

ATOM
190
CD1
TRP
A
79
112.372
129.712
54.016
1.00
27.47
A

ATOM
191
NE1
TRP
A
79
113.311
129.634
55.013
1.00
28.93
A

ATOM
192
CZ2
TRP
A
79
115.819
129.859
55.098
1.00
25.98
A

ATOM
193
CZ3
TRP
A
79
116.802
130.310
52.908
1.00
25.58
A

ATOM
194
CH2
TRP
A
79
116.918
130.095
54.311
1.00
25.92
A

ATOM
195
C
TRP
A
79
111.891
127.924
50.704
1.00
30.23
A

ATOM
196
O
TRP
A
79
110.926
127.621
49.985
1.00
30.01
A

ATOM
197
N
ARG
A
80
112.257
127.230
51.766
1.00
30.10
A

ATOM
198
CA
ARG
A
80
111.605
125.997
52.108
1.00
31.34
A

ATOM
199
CB
ARG
A
80
112.537
125.105
52.939
1.00
30.35
A

ATOM
200
CG
ARG
A
80
112.107
123.698
52.959
1.00
28.95
A

ATOM
201
CD
ARG
A
80
113.169
122.808
53.552
1.00
27.85
A

ATOM
202
NE
ARG
A
80
112.741
121.404
53.463
1.00
28.83
A

ATOM
203
CZ
ARG
A
80
113.461
120.383
53.929
1.00
31.77
A

ATOM
204
NH1
ARG
A
80
114.663
120.600
54.540
1.00
32.07
A

ATOM
205
NH2
ARG
A
80
113.015
119.129
53.745
1.00
31.19
A

ATOM
206
C
ARG
A
80
110.309
126.226
52.839
1.00
33.42
A

ATOM
207
O
ARG
A
80
110.153
127.110
53.698
1.00
34.45
A

ATOM
208
N
CYS
A
81
109.357
125.390
52.532
1.00
34.43
A

ATOM
209
CA
CYS
A
81
108.113
125.574
53.165
1.00
36.98
A

ATOM
210
CB
CYS
A
81
107.088
124.767
52.385
1.00
40.49
A

ATOM
211
SG
CYS
A
81
106.693
123.298
53.158
1.00
50.53
A

ATOM
212
C
CYS
A
81
108.247
125.199
54.657
1.00
36.69
A

ATOM
213
O
CYS
A
81
109.003
124.276
55.056
1.00
36.89
A

ATOM
214
N
ASN
A
82
107.534
125.956
55.485
1.00
35.37
A

ATOM
215
CA
ASN
A
82
107.550
125.794
56.935
1.00
33.84
A

ATOM
216
CB
ASN
A
82
107.017
124.438
57.380
1.00
34.42
A

ATOM
217
CG
ASN
A
82
106.859
124.364
58.904
1.00
36.39
A

ATOM
218
OD1
ASN
A
82
106.305
125.272
59.549
1.00
37.70
A

ATOM
219
ND2
ASN
A
82
107.340
123.292
59.484
1.00
35.85
A

ATOM
220
C
ASN
A
82
108.889
126.037
57.622
1.00
33.07
A

ATOM
221
O
ASN
A
82
109.039
125.782
58.799
1.00
33.33
A

ATOM
222
N
LYS
A
83
109.846
126.582
56.890
1.00
31.40
A

ATOM
223
CA
LYS
A
83
111.141
126.828
57.452
1.00
30.89
A

ATOM
224
CB
LYS
A
83
112.202
126.358
56.465
1.00
29.98
A

ATOM
225
CG
LYS
A
83
113.595
126.716
56.843
1.00
27.34
A

ATOM
226
CD
LYS
A
83
114.521
126.146
55.857
1.00
27.26
A

ATOM
227
CE
LYS
A
83
115.940
126.435
56.270
1.00
28.86
A

ATOM
228
NZ
LYS
A
83
116.931
125.774
55.395
1.00
30.72
A

ATOM
229
C
LYS
A
83
111.397
128.273
57.841
1.00
32.81
A

ATOM
230
O
LYS
A
83
111.104
129.200
57.099
1.00
35.29
A

ATOM
231
N
THR
A
84
111.956
128.467
59.015
1.00
33.57
A

ATOM
232
CA
THR
A
84
112.285
129.775
59.524
1.00
32.76
A

ATOM
233
CB
THR
A
84
113.120
129.603
60.855
1.00
34.21
A

ATOM
234
OG1
THR
A
84
112.233
129.099
61.884
1.00
34.21
A

ATOM
235
CG2
THR
A
84
113.807
130.911
61.287
1.00
30.27
A

ATOM
236
C
THR
A
84
113.102
130.508
58.495
1.00
33.07
A

ATOM
237
O
THR
A
84
114.050
129.964
57.933
1.00
34.35
A

ATOM
238
N
LEU
A
85
112.749
131.756
58.265
1.00
33.04
A

ATOM
239
CA
LEU
A
85
113.451
132.591
57.296
1.00
32.77
A

ATOM
240
CB
LEU
A
85
112.646
133.847
57.074
1.00
30.05
A

ATOM
241
CG
LEU
A
85
111.263
133.595
56.521
1.00
29.92
A

ATOM
242
CD1
LEU
A
85
110.412
134.856
56.630
1.00
27.51
A

ATOM
243
CD2
LEU
A
85
111.435
133.157
55.051
1.00
29.25
A

ATOM
244
C
LEU
A
85
114.854
132.991
57.718
1.00
33.82
A

ATOM
245
O
LEU
A
85
115.174
133.024
58.872
1.00
33.38
A

ATOM
246
N
PRO
A
86
115.707
133.342
56.762
1.00
36.50
A

ATOM
247
CD
PRO
A
86
115.523
133.259
55.295
1.00
36.99
A

ATOM
248
CA
PRO
A
86
117.084
133.750
57.120
1.00
37.45
A

ATOM
249
CB
PRO
A
86
117.812
133.802
55.768
1.00
36.83
A

ATOM
250
CG
PRO
A
86
116.694
134.063
54.770
1.00
35.53
A

ATOM
251
C
PRO
A
86
117.164
135.095
57.864
1.00
38.29
A

ATOM
252
O
PRO
A
86
118.166
135.402
58.455
1.00
39.78
A

ATOM
253
N
ILE
A
87
116.140
135.934
57.789
1.00
38.19
A

ATOM
254
CA
ILE
A
87
116.172
137.197
58.537
1.00
37.06
A

ATOM
255
CB
ILE
A
87
116.378
138.443
57.634
1.00
36.67
A

ATOM
256
CG2
ILE
A
87
117.715
138.411
57.010
1.00
35.66
A

ATOM
257
CG1
ILE
A
87
115.347
138.444
56.490
1.00
41.06
A

ATOM
258
CD1
ILE
A
87
113.827
138.606
56.908
1.00
41.13
A

ATOM
259
C
ILE
A
87
114.779
137.268
59.111
1.00
35.68
A

ATOM
260
O
ILE
A
87
113.922
136.480
58.760
1.00
36.41
A

ATOM
261
N
ALA
A
88
114.537
138.197
60.011
1.00
35.17
A

ATOM
262
CA
ALA
A
88
113.178
138.351
60.534
1.00
34.45
A

ATOM
263
CB
ALA
A
88
113.231
138.810
61.982
1.00
32.89
A

ATOM
264
C
ALA
A
88
112.424
139.388
59.635
1.00
33.85
A

ATOM
265
O
ALA
A
88
112.859
140.542
59.432
1.00
33.60
A

ATOM
266
N
PHE
A
89
111.293
138.954
59.101
1.00
33.22
A

ATOM
267
CA
PHE
A
89
110.521
139.801
58.227
1.00
32.51
A

ATOM
268
CB
PHE
A
89
109.296
139.079
57.700
1.00
28.29
A

ATOM
269
CG
PHE
A
89
108.628
139.829
56.607
1.00
27.39
A

ATOM
270
CD1
PHE
A
89
109.262
140.005
55.376
1.00
27.59
A

ATOM
271
CD2
PHE
A
89
107.370
140.388
56.800
1.00
25.52
A

ATOM
272
CE1
PHE
A
89
108.642
140.733
54.347
1.00
26.76
A

ATOM
273
CE2
PHE
A
89
106.728
141.106
55.794
1.00
24.79
A

ATOM
274
CZ
PHE
A
89
107.367
141.283
54.555
1.00
26.52
A

ATOM
275
C
PHE
A
89
110.090
141.051
58.960
1.00
32.90
A

ATOM
276
O
PHE
A
89
109.602
140.953
60.070
1.00
35.42
A

ATOM
277
N
LYS
A
90
110.292
142.218
58.356
1.00
32.25
A

ATOM
278
CA
LYS
A
90
109.907
143.474
58.947
1.00
31.46
A

ATOM
279
CB
LYS
A
90
111.115
144.305
59.323
1.00
33.28
A

ATOM
280
CG
LYS
A
90
111.876
143.935
60.538
1.00
34.70
A

ATOM
281
CD
LYS
A
90
113.084
144.830
60.561
1.00
35.02
A

ATOM
282
CE
LYS
A
90
114.289
144.099
61.128
1.00
38.34
A

ATOM
283
NZ
LYS
A
90
114.130
143.916
62.562
1.00
37.83
A

ATOM
284
C
LYS
A
90
109.132
144.334
57.984
1.00
30.76
A

ATOM
285
O
LYS
A
90
109.446
144.363
56.797
1.00
30.55
A

ATOM
286
N
VAL
A
91
108.161
145.082
58.518
1.00
30.08
A

ATOM
287
CA
VAL
A
91
107.379
146.047
57.725
1.00
29.62
A

ATOM
288
CB
VAL
A
91
105.812
145.792
57.795
1.00
29.73
A

ATOM
289
CG1
VAL
A
91
105.063
146.983
57.143
1.00
24.54
A

ATOM
290
CG2
VAL
A
91
105.450
144.505
57.101
1.00
28.15
A

ATOM
291
C
VAL
A
91
107.685
147.438
58.333
1.00
29.02
A

ATOM
292
O
VAL
A
91
107.468
147.657
59.512
1.00
29.28
A

ATOM
293
N
VAL
A
92
108.220
148.347
57.528
1.00
28.54
A

ATOM
294
CA
VAL
A
92
108.564
149.677
57.990
1.00
27.03
A

ATOM
295
CB
VAL
A
92
110.000
150.037
57.574
1.00
26.69
A

ATOM
296
CG1
VAL
A
92
110.351
151.436
57.998
1.00
23.89
A

ATOM
297
CG2
VAL
A
92
110.959
149.009
58.150
1.00
25.25
A

ATOM
298
C
VAL
A
92
107.597
150.649
57.373
1.00
28.28
A

ATOM
299
O
VAL
A
92
107.392
150.624
56.128
1.00
26.66
A

ATOM
300
N
ALA
A
93
107.002
151.503
58.229
1.00
28.79
A

ATOM
301
CA
ALA
A
93
106.021
152.480
57.733
1.00
30.08
A

ATOM
302
CB
ALA
A
93
104.810
152.609
58.685
1.00
29.71
A

ATOM
303
C
ALA
A
93
106.733
153.811
57.564
1.00
30.91
A

ATOM
304
O
ALA
A
93
107.528
154.245
58.411
1.00
31.17
A

ATOM
305
N
LEU
A
94
106.476
154.442
56.432
1.00
32.23
A

ATOM
306
CA
LEU
A
94
107.055
155.726
56.156
1.00
31.89
A

ATOM
307
CB
LEU
A
94
106.978
155.941
54.665
1.00
31.11
A

ATOM
308
CG
LEU
A
94
107.927
154.960
53.945
1.00
31.48
A

ATOM
309
CD1
LEU
A
94
107.964
155.281
52.464
1.00
30.59
A

ATOM
310
CD2
LEU
A
94
109.338
155.051
54.503
1.00
29.60
A

ATOM
311
C
LEU
A
94
106.230
156.738
56.939
1.00
32.69
A

ATOM
312
O
LEU
A
94
106.712
157.266
57.971
1.00
32.92
A

ATOM
313
N
GLY
A
95
104.996
156.978
56.476
1.00
31.79
A

ATOM
314
CA
GLY
A
95
104.127
157.912
57.165
1.00
30.87
A

ATOM
315
C
GLY
A
95
103.909
157.486
58.603
1.00
31.22
A

ATOM
316
O
GLY
A
95
104.018
156.295
58.939
1.00
30.83
A

ATOM
317
N
ASP
A
96
103.634
158.459
59.466
1.00
31.42
A

ATOM
318
CA
ASP
A
96
103.388
158.173
60.881
1.00
32.72
A

ATOM
319
CD
ASP
A
96
102.881
159.439
61.564
1.00
34.83
A

ATOM
320
CG
ASP
A
96
103.961
160.493
61.730
1.00
40.38
A

ATOM
321
OD1
ASP
A
96
104.922
160.484
60.897
1.00
44.25
A

ATOM
322
OD2
ASP
A
96
103.864
161.343
62.676
1.00
39.79
A

ATOM
323
C
ASP
A
96
102.339
157.042
61.041
1.00
32.26
A

ATOM
324
O
ASP
A
96
101.305
157.020
60.341
1.00
31.14
A

ATOM
325
N
VAL
A
97
102.639
156.093
61.925
1.00
30.09
A

ATOM
326
CA
VAL
A
97
101.713
155.033
62.256
1.00
29.84
A

ATOM
327
CB
VAL
A
97
102.002
153.697
61.501
1.00
30.12
A

ATOM
328
CG1
VAL
A
97
101.237
152.525
62.187
1.00
27.89
A

ATOM
329
CG2
VAL
A
97
101.519
153.799
60.038
1.00
27.67
A

ATOM
330
C
VAL
A
97
101.808
154.770
63.762
1.00
29.76
A

ATOM
331
O
VAL
A
97
102.814
154.351
64.257
1.00
30.42
A

ATOM
332
N
PRO
A
98
100.729
154.965
64.497
1.00
30.14
A

ATOM
333
CD
PRO
A
98
99.336
154.974
64.004
1.00
29.77
A

ATOM
334
CA
PRO
A
98
100.786
154.726
65.949
1.00
30.64
A

ATOM
335
CB
PRO
A
98
99.327
154.875
66.414
1.00
29.34
A

ATOM
336
CG
PRO
A
98
98.576
155.489
65.216
1.00
28.04
A

ATOM
337
C
PRO
A
98
101.287
153.346
66.324
1.00
32.08
A

ATOM
338
O
PRO
A
98
101.003
152.345
65.651
1.00
32.48
A

ATOM
339
N
ASP
A
99
102.007
153.309
67.428
1.00
33.21
A

ATOM
340
CA
ASP
A
99
102.535
152.081
67.991
1.00
34.76
A

ATOM
341
CB
ASP
A
99
103.265
152.393
69.283
1.00
35.07
A

ATOM
342
CG
ASP
A
99
104.659
152.891
69.033
1.00
37.69
A

ATOM
343
OD1
ASP
A
99
104.965
153.237
67.887
1.00
37.84
A

ATOM
344
OD2
ASP
A
99
105.478
152.932
69.973
1.00
40.40
A

ATOM
345
C
ASP
A
99
101.360
151.204
68.284
1.00
34.02
A

ATOM
346
O
ASP
A
99
100.300
151.722
68.582
1.00
34.83
A

ATOM
347
N
GLY
A
100
101.519
149.897
68.155
1.00
33.00
A

ATOM
348
CA
GLY
A
100
100.414
149.009
68.464
1.00
31.62
A

ATOM
349
C
GLY
A
100
99.485
148.659
67.333
1.00
30.19
A

ATOM
350
O
GLY
A
100
98.619
147.821
67.466
1.00
28.94
A

ATOM
351
N
THR
A
101
99.644
149.332
66.217
1.00
30.51
A

ATOM
352
CA
THR
A
101
98.836
149.013
65.058
1.00
30.74
A

ATOM
353
CB
THR
A
101
99.106
149.956
63.970
1.00
30.13
A

ATOM
354
OG1
THR
A
101
98.780
151.291
64.421
1.00
30.29
A

ATOM
355
CG2
THR
A
101
98.348
149.556
62.749
1.00
28.54
A

ATOM
356
C
THR
A
101
99.226
147.606
64.583
1.00
31.92
A

ATOM
357
O
THR
A
101
100.425
147.238
64.505
1.00
33.81
A

ATOM
358
N
LEU
A
102
98.223
146.807
64.285
1.00
30.33
A

ATOM
359
CA
LEU
A
102
98.509
145.461
63.926
1.00
29.81
A

ATOM
360
CB
LEU
A
102
97.299
144.600
64.233
1.00
28.80
A

ATOM
361
CG
LEU
A
102
97.335
143.802
65.555
1.00
31.18
A

ATOM
362
CD1
LEU
A
102
98.123
144.490
66.616
1.00
30.75
A

ATOM
363
CD2
LEU
A
102
95.924
143.493
65.988
1.00
27.41
A

ATOM
364
C
LEU
A
102
98.872
145.413
62.492
1.00
30.09
A

ATOM
365
O
LEU
A
102
98.380
146.181
61.681
1.00
31.32
A

ATOM
366
N
VAL
A
103
99.734
144.483
62.169
1.00
29.07
A

ATOM
367
CA
VAL
A
103
100.145
144.314
60.811
1.00
26.99
A

ATOM
368
CD
VAL
A
103
101.548
144.850
60.640
1.00
26.69
A

ATOM
369
CG1
VAL
A
103
102.016
144.665
59.181
1.00
26.35
A

ATOM
370
CG2
VAL
A
103
101.595
146.278
61.069
1.00
24.23
A

ATOM
371
C
VAL
A
103
100.133
142.819
60.548
1.00
27.41
A

ATOM
372
O
VAL
A
103
100.610
142.020
61.396
1.00
26.34
A

ATOM
373
N
THR
A
104
99.592
142.434
59.386
1.00
27.10
A

ATOM
374
CA
THR
A
104
99.534
141.016
59.027
1.00
28.43
A

ATOM
375
CB
THR
A
104
98.119
140.459
59.081
1.00
28.47
A

ATOM
376
OG1
THR
A
104
97.332
141.125
58.098
1.00
29.76
A

ATOM
377
CG2
THR
A
104
97.487
140.691
60.411
1.00
26.65
A

ATOM
378
C
THR
A
104
100.029
140.752
57.631
1.00
29.56
A

ATOM
379
O
THR
A
104
100.066
141.642
56.776
1.00
30.20
A

ATOM
380
N
VAL
A
105
100.409
139.504
57.387
1.00
30.13
A

ATOM
381
CA
VAL
A
105
100.884
139.108
56.057
1.00
29.05
A

ATOM
382
CB
VAL
A
105
102.363
138.646
56.073
1.00
25.99
A

ATOM
383
CG1
VAL
A
105
102.750
138.093
54.704
1.00
23.43
A

ATOM
384
CG2
VAL
A
105
103.246
139.821
56.418
1.00
26.04
A

ATOM
385
C
VAL
A
105
100.014
137.950
55.570
1.00
30.06
A

ATOM
386
O
VAL
A
105
99.668
137.067
56.367
1.00
28.92
A

ATOM
387
N
MET
A
106
99.664
137.991
54.275
1.00
30.18
A

ATOM
388
CA
MET
A
106
98.872
136.946
53.598
1.00
31.32
A

ATOM
389
CB
MET
A
106
97.429
137.366
53.370
1.00
32.33
A

ATOM
390
CG
MET
A
106
96.650
137.707
54.606
1.00
33.99
A

ATOM
391
SD
MET
A
106
94.917
137.953
54.042
1.00
41.17
A

ATOM
392
CE
MET
A
106
94.724
139.723
54.230
1.00
36.87
A

ATOM
393
C
MET
A
106
99.537
136.766
52.247
1.00
31.72
A

ATOM
394
O
MET
A
106
100.194
137.684
51.705
1.00
31.63
A

ATOM
395
N
ALA
A
107
99.365
135.603
51.674
1.00
31.14
A

ATOM
396
CA
ALA
A
107
100.024
135.351
50.423
1.00
32.03
A

ATOM
397
CB
ALA
A
107
101.409
134.675
50.694
1.00
31.60
A

ATOM
398
C
ALA
A
107
99.137
134.488
49.521
1.00
33.51
A

ATOM
399
O
ALA
A
107
98.268
133.744
49.988
1.00
33.49
A

ATOM
400
N
GLY
A
108
99.354
134.627
48.218
1.00
33.85
A

ATOM
401
CA
GLY
A
108
98.607
133.876
47.246
1.00
33.73
A

ATOM
402
C
GLY
A
108
99.190
134.118
45.883
1.00
34.90
A

ATOM
403
O
GLY
A
108
100.103
134.912
45.712
1.00
35.29
A

ATOM
404
N
ASN
A
109
98.707
133.385
44.899
1.00
36.51
A

ATOM
405
CA
ASN
A
109
99.169
133.601
43.542
1.00
38.15
A

ATOM
406
CB
ASN
A
109
100.619
133.171
43.338
1.00
37.15
A

ATOM
407
CG
ASN
A
109
100.773
131.699
43.291
1.00
38.22
A

ATOM
408
OD1
ASN
A
109
99.812
130.950
43.407
1.00
38.68
A

ATOM
409
ND2
ASN
A
109
102.004
131.258
43.146
1.00
39.89
A

ATOM
410
C
ASN
A
109
98.221
132.824
42.653
1.00
39.82
A

ATOM
411
O
ASN
A
109
97.256
132.241
43.165
1.00
39.93
A

ATOM
412
N
ASP
A
110
98.484
132.791
41.348
1.00
41.82
A

ATOM
413
CA
ASP
A
110
97.526
132.126
40.454
1.00
45.07
A

ATOM
414
CB
ASP
A
110
97.713
132.586
38.981
1.00
45.78
A

ATOM
415
CG
ASP
A
110
98.916
131.959
38.310
1.00
47.99
A

ATOM
416
OD1
ASP
A
110
99.087
132.201
37.106
1.00
48.13
A

ATOM
417
OD2
ASP
A
110
99.690
131.233
38.973
1.00
50.27
A

ATOM
418
C
ASP
A
110
97.476
130.600
40.510
1.00
45.42
A

ATOM
419
O
ASP
A
110
96.884
129.957
39.643
1.00
45.69
A

ATOM
420
N
GLU
A
111
98.073
130.031
41.543
1.00
45.46
A

ATOM
421
CA
GLU
A
111
98.084
128.598
41.691
1.00
45.64
A

ATOM
422
CB
GLU
A
111
99.500
128.094
41.423
1.00
47.12
A

ATOM
423
CG
GLU
A
111
99.612
126.607
41.515
1.00
50.03
A

ATOM
424
CD
GLU
A
111
100.569
126.046
40.516
1.00
52.26
A

ATOM
425
OE1
GLU
A
111
101.074
124.961
40.807
1.00
54.90
A

ATOM
426
OE2
GLU
A
111
100.817
126.661
39.446
1.00
53.45
A

ATOM
427
C
GLU
A
111
97.592
128.173
43.077
1.00
45.33
A

ATOM
428
O
GLU
A
111
96.895
127.188
43.217
1.00
46.23
A

ATOM
429
N
ASN
A
112
97.966
128.921
44.103
1.00
43.82
A

ATOM
430
CA
ASN
A
112
97.556
128.625
45.456
1.00
43.02
A

ATOM
431
CB
ASN
A
112
98.795
128.409
46.296
1.00
41.84
A

ATOM
432
CG
ASN
A
112
98.481
128.011
47.681
1.00
41.49
A

ATOM
433
OD1
ASN
A
112
97.320
128.173
48.155
1.00
40.84
A

ATOM
434
ND2
ASN
A
112
99.507
127.503
48.386
1.00
39.01
A

ATOM
435
C
ASN
A
112
96.902
129.963
45.717
1.00
43.18
A

ATOM
436
O
ASN
A
112
97.572
130.992
45.766
1.00
43.99
A

ATOM
437
N
TYR
A
113
95.590
129.981
45.831
1.00
42.34
A

ATOM
438
CA
TYR
A
113
94.937
131.266
45.954
1.00
41.65
A

ATOM
439
CB
TYR
A
113
93.463
131.140
45.541
1.00
42.19
A

ATOM
440
CG
TYR
A
113
92.570
130.526
46.587
1.00
43.41
A

ATOM
441
CD1
TYR
A
113
91.955
131.332
47.530
1.00
43.39
A

ATOM
442
CE1
TYR
A
113
91.189
130.816
48.521
1.00
44.11
A

ATOM
443
CD2
TYR
A
113
92.378
129.147
46.665
1.00
44.11
A

ATOM
444
CE2
TYR
A
113
91.589
128.598
47.681
1.00
45.55
A

ATOM
445
CZ
TYR
A
113
91.009
129.456
48.614
1.00
46.23
A

ATOM
446
OH
TYR
A
113
90.317
128.985
49.720
1.00
47.53
A

ATOM
447
C
TYR
A
113
95.111
131.864
47.337
1.00
41.30
A

ATOM
448
O
TYR
A
113
95.000
133.069
47.542
1.00
41.14
A

ATOM
449
N
SER
A
114
95.426
131.020
48.296
1.00
41.04
A

ATOM
450
CA
SER
A
114
95.647
131.515
49.649
1.00
40.02
A

ATOM
451
CB
SER
A
114
94.349
131.605
50.370
1.00
39.19
A

ATOM
452
OG
SER
A
114
94.552
132.325
51.546
1.00
42.35
A

ATOM
453
C
SER
A
114
96.609
130.593
50.419
1.00
38.98
A

ATOM
454
O
SER
A
114
96.216
129.561
50.964
1.00
39.32
A

ATOM
455
N
ALA
A
115
97.872
130.977
50.470
1.00
36.99
A

ATOM
456
CA
ALA
A
115
98.856
130.147
51.114
1.00
36.02
A

ATOM
457
CB
ALA
A
115
100.248
130.580
50.647
1.00
37.65
A

ATOM
458
C
ALA
A
115
98.784
130.163
52.628
1.00
35.88
A

ATOM
459
O
ALA
A
115
98.559
131.196
53.251
1.00
35.16
A

ATOM
460
N
GLU
A
116
98.994
129.004
53.216
1.00
35.23
A

ATOM
461
CA
GLU
A
116
99.004
128.870
54.659
1.00
36.72
A

ATOM
462
CB
GLU
A
116
98.886
127.397
55.044
1.00
39.60
A

ATOM
463
CG
GLU
A
116
99.542
127.057
56.342
1.00
44.01
A

ATOM
464
CD
GLU
A
116
99.129
125.697
56.838
1.00
47.77
A

ATOM
465
OE1
GLU
A
116
99.663
124.640
56.385
1.00
49.48
A

ATOM
466
OE2
GLU
A
116
98.228
125.692
57.699
1.00
51.55
A

ATOM
467
C
GLU
A
116
100.299
129.439
55.235
1.00
35.82
A

ATOM
468
O
GLU
A
116
101.390
129.094
54.785
1.00
34.75
A

ATOM
469
N
LEU
A
117
100.162
130.279
56.250
1.00
34.58
A

ATOM
470
CA
LEU
A
117
101.300
130.930
56.863
1.00
34.27
A

ATOM
471
CB
LEU
A
117
101.174
132.427
56.691
1.00
32.15
A

ATOM
472
CG
LEU
A
117
101.081
132.945
55.282
1.00
32.64
A

ATOM
473
CD1
LEU
A
117
101.082
134.471
55.409
1.00
31.94
A

ATOM
474
CD2
LEU
A
117
102.269
132.444
54.417
1.00
30.26
A

ATOM
475
C
LEU
A
117
101.344
130.660
58.345
1.00
34.78
A

ATOM
476
O
LEU
A
117
100.414
130.110
58.888
1.00
35.76
A

ATOM
477
N
ARG
A
118
102.414
131.079
59.007
1.00
35.03
A

ATOM
478
CA
ARG
A
118
102.531
130.910
60.450
1.00
34.96
A

ATOM
479
CB
ARG
A
118
103.363
129.681
60.784
1.00
36.58
A

ATOM
480
CG
ARG
A
118
102.633
128.377
60.589
1.00
40.84
A

ATOM
481
CD
ARG
A
118
103.572
127.195
60.880
1.00
44.85
A

ATOM
482
NE
ARG
A
118
104.342
127.469
62.093
1.00
49.35
A

ATOM
483
CZ
ARG
A
118
105.237
126.643
62.641
1.00
51.15
A

ATOM
484
NH1
ARG
A
118
105.481
125.469
62.069
1.00
51.84
A

ATOM
485
NH2
ARG
A
118
105.873
126.987
63.776
1.00
51.86
A

ATOM
486
C
ARG
A
118
103.160
132.184
61.048
1.00
34.33
A

ATOM
487
O
ARG
A
118
104.130
132.770
60.504
1.00
34.31
A

ATOM
488
N
ASN
A
119
102.589
132.623
62.165
1.00
31.96
A

ATOM
489
CA
ASN
A
119
103.056
133.837
62.831
1.00
30.50
A

ATOM
490
CB
ASN
A
119
104.493
133.664
63.241
1.00
31.53
A

ATOM
491
CG
ASN
A
119
104.730
132.301
63.875
1.00
33.12
A

ATOM
492
OD1
ASN
A
119
103.903
131.841
64.695
1.00
32.56
A

ATOM
493
ND2
ASN
A
119
105.849
131.648
63.519
1.00
31.63
A

ATOM
494
C
ASN
A
119
102.958
135.013
61.917
1.00
29.61
A

ATOM
495
O
ASN
A
119
103.866
135.806
61.879
1.00
30.73
A

ATOM
496
N
ALA
A
120
101.855
135.135
61.177
1.00
28.86
A

ATOM
497
CA
ALA
A
120
101.675
136.228
60.249
1.00
28.03
A

ATOM
498
CB
ALA
A
120
100.865
135.811
59.080
1.00
26.43
A

ATOM
499
C
ALA
A
120
101.082
137.495
60.811
1.00
28.96
A

ATOM
500
O
ALA
A
120
100.566
138.311
60.028
1.00
29.95
A

ATOM
501
N
THR
A
121
101.103
137.691
62.139
1.00
29.29
A

ATOM
502
CA
THR
A
121
100.594
138.973
62.726
1.00
28.76
A

ATOM
503
CB
THR
A
121
99.422
138.811
63.716
1.00
29.22
A

ATOM
504
OG1
THR
A
121
98.356
138.055
63.118
1.00
28.08
A

ATOM
505
CG2
THR
A
121
98.884
140.217
64.127
1.00
28.11
A

ATOM
506
C
THR
A
121
101.694
139.650
63.523
1.00
27.61
A

ATOM
507
O
THR
A
121
102.479
138.981
64.154
1.00
28.82
A

ATOM
508
N
ALA
A
122
101.776
140.961
63.471
1.00
26.60
A

ATOM
509
CA
ALA
A
122
102.800
141.685
64.230
1.00
28.21
A

ATOM
510
CB
ALA
A
122
104.132
141.803
63.408
1.00
26.58
A

ATOM
511
C
ALA
A
122
102.287
143.063
64.630
1.00
28.51
A

ATOM
512
O
ALA
A
122
101.196
143.483
64.212
1.00
28.45
A

ATOM
513
N
ALA
A
123
103.059
143.785
65.437
1.00
29.51
A

ATOM
514
CA
ALA
A
123
102.561
145.096
65.871
1.00
30.46
A

ATOM
515
CB
ALA
A
123
102.145
145.034
67.344
1.00
28.39
A

ATOM
516
C
ALA
A
123
103.599
146.156
65.649
1.00
31.56
A

ATOM
517
O
ALA
A
123
104.793
145.910
65.809
1.00
32.00
A

ATOM
518
N
MET
A
124
103.138
147.331
65.245
1.00
32.39
A

ATOM
519
CA
MET
A
124
104.030
148.451
64.975
1.00
32.26
A

ATOM
520
CB
MET
A
124
103.253
149.590
64.296
1.00
33.10
A

ATOM
521
CG
MET
A
124
103.143
149.532
62.804
1.00
32.96
A

ATOM
522
SD
MET
A
124
104.768
149.797
61.985
1.00
33.45
A

ATOM
523
CE
MET
A
124
104.210
149.760
60.273
1.00
31.54
A

ATOM
524
C
MET
A
124
104.617
149.002
66.256
1.00
33.14
A

ATOM
525
O
MET
A
124
103.914
149.184
67.257
1.00
32.47
A

ATOM
526
N
LYS
A
125
105.924
149.236
66.225
1.00
34.67
A

ATOM
527
CA
LYS
A
125
106.651
149.858
67.330
1.00
35.15
A

ATOM
528
CB
LYS
A
125
107.343
148.850
68.217
1.00
34.40
A

ATOM
529
CG
LYS
A
125
108.014
149.584
69.299
1.00
37.92
A

ATOM
530
CD
LYS
A
125
108.258
148.736
70.535
1.00
42.82
A

ATOM
531
CE
LYS
A
125
108.429
149.667
71.777
1.00
45.40
A

ATOM
532
NZ
LYS
A
125
108.412
148.958
73.116
1.00
49.52
A

ATOM
533
C
LYS
A
125
107.692
150.752
66.660
1.00
34.91
A

ATOM
534
O
LYS
A
125
108.586
150.250
65.965
1.00
34.22
A

ATOM
535
N
ASN
A
126
107.558
152.061
66.855
1.00
33.18
A

ATOM
536
CA
ASN
A
126
108.469
153.001
66.236
1.00
33.10
A

ATOM
537
CB
ASN
A
126
109.882
152.828
66.789
1.00
33.71
A

ATOM
538
CG
ASN
A
126
109.962
153.136
68.264
1.00
34.27
A

ATOM
539
OD1
ASN
A
126
109.419
154.110
68.718
1.00
29.72
A

ATOM
540
ND2
ASN
A
126
110.671
152.287
69.015
1.00
36.23
A

ATOM
541
C
ASN
A
126
108.528
152.887
64.695
1.00
31.94
A

ATOM
542
O
ASN
A
126
109.638
152.897
64.074
1.00
30.43
A

ATOM
543
N
GLN
A
127
107.350
152.770
64.091
1.00
30.00
A

ATOM
544
CA
GLN
A
127
107.262
152.694
62.637
1.00
30.04
A

ATOM
545
CB
GLN
A
127
108.076
153.852
62.010
1.00
29.32
A

ATOM
546
CG
GLN
A
127
107.580
155.240
62.360
1.00
28.80
A

ATOM
547
CD
GLN
A
127
106.251
155.540
61.709
1.00
32.99
A

ATOM
548
OE1
GLN
A
127
105.258
155.829
62.393
1.00
34.64
A

ATOM
549
NE2
GLN
A
127
106.205
155.471
60.367
1.00
34.30
A

ATOM
550
C
GLN
A
127
107.718
151.349
62.045
1.00
30.04
A

ATOM
551
O
GLN
A
127
107.759
151.182
60.813
1.00
31.54
A

ATOM
552
N
VAL
A
128
108.051
150.397
62.903
1.00
28.39
A

ATOM
553
CA
VAL
A
128
108.504
149.111
62.429
1.00
28.19
A

ATOM
554
CB
VAL
A
128
109.993
148.902
62.758
1.00
27.28
A

ATOM
555
CG1
VAL
A
128
110.377
147.445
62.566
1.00
21.75
A

ATOM
556
CG2
VAL
A
128
110.813
149.819
61.912
1.00
27.05
A

ATOM
557
C
VAL
A
128
107.719
147.942
63.035
1.00
29.22
A

ATOM
558
O
VAL
A
128
107.594
147.813
64.254
1.00
30.31
A

ATOM
559
N
ALA
A
129
107.186
147.082
62.192
1.00
29.27
A

ATOM
560
CA
ALA
A
129
106.461
145.960
62.723
1.00
30.29
A

ATOM
561
CB
ALA
A
129
105.155
145.793
61.988
1.00
31.50
A

ATOM
562
C
ALA
A
129
107.366
144.780
62.457
1.00
30.33
A

ATOM
563
O
ALA
A
129
107.511
144.401
61.322
1.00
31.81
A

ATOM
564
N
ARG
A
130
107.973
144.206
63.493
1.00
30.33
A

ATOM
565
CA
ARG
A
130
108.861
143.072
63.320
1.00
31.35
A

ATOM
566
CB
ARG
A
130
110.034
143.191
64.301
1.00
31.56
A

ATOM
567
CG
ARG
A
130
110.942
141.984
64.332
1.00
34.78
A

ATOM
568
CD
ARG
A
130
112.087
142.172
65.284
1.00
37.60
A

ATOM
569
NE
ARG
A
130
113.072
141.092
65.181
1.00
42.86
A

ATOM
570
CZ
ARG
A
130
112.887
139.839
65.629
1.00
46.81
A

ATOM
571
NH1
ARG
A
130
111.734
139.477
66.240
1.00
49.06
A

ATOM
572
NH2
ARG
A
130
113.842
138.923
65.456
1.00
46.30
A

ATOM
573
C
ARG
A
130
108.168
141.722
63.519
1.00
30.39
A

ATOM
574
O
ARG
A
130
107.630
141.455
64.562
1.00
28.98
A

ATOM
575
N
PHE
A
131
108.189
140.863
62.519
1.00
30.26
A

ATOM
576
CA
PHE
A
131
107.583
139.573
62.702
1.00
30.41
A

ATOM
577
CB
PHE
A
131
107.125
139.001
61.400
1.00
26.53
A

ATOM
578
CG
PHE
A
131
105.973
139.677
60.856
1.00
25.23
A

ATOM
579
CD1
PHE
A
131
106.112
140.935
60.275
1.00
23.98
A

ATOM
580
CD2
PHE
A
131
104.711
139.087
60.942
1.00
25.26
A

ATOM
581
CE1
PHE
A
131
105.016
141.627
59.773
1.00
23.37
A

ATOM
582
CE2
PHE
A
131
103.577
139.763
60.438
1.00
26.67
A

ATOM
583
CZ
PHE
A
131
103.752
141.071
59.840
1.00
26.54
A

ATOM
584
C
PHE
A
131
108.565
138.620
63.302
1.00
33.30
A

ATOM
585
O
PHE
A
131
109.689
138.556
62.899
1.00
35.71
A

ATOM
586
N
ASN
A
132
108.124
137.882
64.292
1.00
36.51
A

ATOM
587
CA
ASN
A
132
108.931
136.871
64.948
1.00
38.43
A

ATOM
588
CB
ASN
A
132
108.477
136.736
66.395
1.00
39.85
A

ATOM
589
CG
ASN
A
132
109.415
135.839
67.198
1.00
45.67
A

ATOM
590
OD1
ASN
A
132
110.651
136.130
67.317
1.00
47.58
A

ATOM
591
ND2
ASN
A
132
108.863
134.723
67.741
1.00
45.40
A

ATOM
592
C
ASN
A
132
108.628
135.547
64.219
1.00
39.89
A

ATOM
593
O
ASN
A
132
107.446
135.101
64.161
1.00
42.90
A

ATOM
594
N
ASP
A
133
109.630
134.904
63.642
1.00
37.08
A

ATOM
595
CA
ASP
A
133
109.344
133.634
62.949
1.00
34.95
A

ATOM
596
CB
ASP
A
133
109.092
132.539
63.961
1.00
34.53
A

ATOM
597
CG
ASP
A
133
109.539
131.196
63.457
1.00
37.62
A

ATOM
598
OD1
ASP
A
133
110.447
131.120
62.577
1.00
38.36
A

ATOM
599
OD2
ASP
A
133
109.010
130.187
63.953
1.00
39.52
A

ATOM
600
C
ASP
A
133
108.253
133.503
61.871
1.00
33.32
A

ATOM
601
O
ASP
A
133
107.603
132.477
61.786
1.00
33.73
A

ATOM
602
N
LEU
A
134
108.029
134.518
61.055
1.00
31.79
A

ATOM
603
CA
LEU
A
134
107.068
134.384
59.956
1.00
29.83
A

ATOM
604
CB
LEU
A
134
107.061
135.656
59.091
1.00
29.25
A

ATOM
605
CG
LEU
A
134
106.403
135.516
57.680
1.00
31.00
A

ATOM
606
CD1
LEU
A
134
104.899
135.255
57.803
1.00
30.58
A

ATOM
607
CD2
LEU
A
134
106.592
136.774
56.856
1.00
27.36
A

ATOM
608
C
LEU
A
134
107.498
133.196
59.069
1.00
29.03
A

ATOM
609
O
LEU
A
134
108.675
133.050
58.725
1.00
26.90
A

ATOM
610
N
ARG
A
135
106.538
132.347
58.690
1.00
30.67
A

ATOM
611
CA
ARG
A
135
106.817
131.171
57.840
1.00
31.52
A

ATOM
612
CB
ARG
A
135
106.930
129.850
58.635
1.00
32.01
A

ATOM
613
CG
ARG
A
135
107.950
129.855
59.725
1.00
34.02
A

ATOM
614
CD
ARG
A
135
108.289
128.483
60.161
1.00
36.04
A

ATOM
615
NE
ARG
A
135
108.892
128.536
61.486
1.00
38.78
A

ATOM
616
CZ
ARG
A
135
109.372
127.473
62.127
1.00
40.74
A

ATOM
617
NH1
ARG
A
135
109.326
126.252
61.553
1.00
40.25
A

ATOM
618
NH2
ARG
A
135
109.882
127.622
63.356
1.00
40.09
A

ATOM
619
C
ARG
A
135
105.775
130.932
56.792
1.00
31.12
A

ATOM
620
O
ARG
A
135
104.567
131.166
56.997
1.00
30.77
A

ATOM
621
N
PHE
A
136
106.267
130.428
55.671
1.00
29.93
A

ATOM
622
CA
PHE
A
136
105.417
130.070
54.575
1.00
29.72
A

ATOM
623
CB
PHE
A
136
106.039
130.539
53.278
1.00
27.22
A

ATOM
624
CG
PHE
A
136
106.153
132.008
53.194
1.00
27.48
A

ATOM
625
CD1
PHE
A
136
107.229
132.672
53.779
1.00
28.36
A

ATOM
626
CD2
PHE
A
136
105.192
132.754
52.554
1.00
26.31
A

ATOM
627
CE1
PHE
A
136
107.338
134.080
53.713
1.00
27.37
A

ATOM
628
CE2
PHE
A
136
105.294
134.143
52.495
1.00
27.03
A

ATOM
629
CZ
PHE
A
136
106.346
134.806
53.060
1.00
26.16
A

ATOM
630
C
PHE
A
136
105.239
128.562
54.576
1.00
29.83
A

ATOM
631
O
PHE
A
136
106.192
127.822
54.451
1.00
30.90
A

ATOM
632
N
VAL
A
137
104.019
128.103
54.742
1.00
30.96
A

ATOM
633
CA
VAL
A
137
103.749
126.665
54.739
1.00
32.78
A

ATOM
634
CB
VAL
A
137
102.729
126.301
55.846
1.00
32.50
A

ATOM
635
CG1
VAL
A
137
102.435
124.814
55.837
1.00
32.02
A

ATOM
636
CG2
VAL
A
137
103.285
126.736
57.206
1.00
30.61
A

ATOM
637
C
VAL
A
137
103.216
126.213
53.361
1.00
34.14
A

ATOM
638
O
VAL
A
137
103.619
125.176
52.833
1.00
34.45
A

ATOM
639
N
GLY
A
138
102.298
126.981
52.790
1.00
33.98
A

ATOM
640
CA
GLY
A
138
101.767
126.626
51.489
1.00
35.37
A

ATOM
641
C
GLY
A
138
102.787
126.726
50.362
1.00
37.81
A

ATOM
642
O
GLY
A
138
103.646
127.585
50.385
1.00
38.72
A

ATOM
643
N
ARG
A
139
102.701
125.847
49.367
1.00
39.72
A

ATOM
644
CA
ARG
A
139
103.618
125.860
48.246
1.00
41.47
A

ATOM
645
CB
ARG
A
139
103.669
124.485
47.591
1.00
45.70
A

ATOM
646
CG
ARG
A
139
103.826
123.320
48.529
1.00
50.09
A

ATOM
647
CD
ARG
A
139
103.187
122.028
47.914
1.00
53.96
A

ATOM
648
NE
ARG
A
139
102.908
121.018
48.958
1.00
57.92
A

ATOM
649
CZ
ARG
A
139
102.669
121.281
50.261
1.00
58.76
A

ATOM
650
NH1
ARG
A
139
102.662
122.531
50.770
1.00
58.09
A

ATOM
651
NH2
ARG
A
139
102.428
120.262
51.076
1.00
59.51
A

ATOM
652
C
ARG
A
139
103.130
126.870
47.204
1.00
41.67
A

ATOM
653
O
ARG
A
139
101.918
127.106
47.063
1.00
41.68
A

ATOM
654
N
SER
A
140
104.067
127.442
46.448
1.00
40.23
A

ATOM
655
CA
SER
A
140
103.702
128.439
45.455
1.00
38.94
A

ATOM
656
CB
SER
A
140
104.690
129.641
45.509
1.00
38.80
A

ATOM
657
OG
SER
A
140
105.986
129.304
45.008
1.00
37.07
A

ATOM
658
C
SER
A
140
103.636
127.872
44.027
1.00
37.53
A

ATOM
659
O
SER
A
140
103.120
128.521
43.130
1.00
37.63
A

ATOM
660
N
GLY
A
141
104.177
126.687
43.813
1.00
35.21
A

ATOM
661
CA
GLY
A
141
104.123
126.131
42.481
1.00
34.41
A

ATOM
662
C
GLY
A
141
105.428
126.318
41.716
1.00
34.99
A

ATOM
663
O
GLY
A
141
106.065
127.381
41.772
1.00
34.08
A

ATOM
664
N
ARG
A
142
105.838
125.257
41.023
1.00
35.67
A

ATOM
665
CA
ARG
A
142
107.040
125.262
40.200
1.00
36.89
A

ATOM
666
CB
ARG
A
142
106.970
124.117
39.182
1.00
38.90
A

ATOM
667
CG
ARG
A
142
108.326
123.769
38.555
1.00
42.02
A

ATOM
668
CD
ARG
A
142
108.115
122.996
37.273
1.00
44.92
A

ATOM
669
NE
ARG
A
142
109.387
122.712
36.622
1.00
48.10
A

ATOM
670
CZ
ARG
A
142
110.224
121.707
36.930
1.00
50.16
A

ATOM
671
NH1
ARG
A
142
109.948
120.825
37.900
1.00
49.37
A

ATOM
672
NH2
ARG
A
142
111.379
121.606
36.273
1.00
50.03
A

ATOM
673
C
ARG
A
142
107.172
126.604
39.454
1.00
36.55
A

ATOM
674
O
ARG
A
142
106.187
127.169
38.949
1.00
35.70
A

ATOM
675
N
GLY
A
143
108.397
127.107
39.387
1.00
35.74
A

ATOM
676
CA
GLY
A
143
108.644
128.377
38.738
1.00
35.11
A

ATOM
677
C
GLY
A
143
107.734
129.510
39.178
1.00
36.33
A

ATOM
678
O
GLY
A
143
107.624
130.501
38.489
1.00
38.15
A

ATOM
679
N
LYS
A
144
107.083
129.423
40.320
1.00
35.60
A

ATOM
680
CA
LYS
A
144
106.216
130.521
40.674
1.00
35.54
A

ATOM
681
CB
LYS
A
144
104.769
130.055
40.630
1.00
37.52
A

ATOM
682
CG
LYS
A
144
104.286
129.818
39.226
1.00
37.93
A

ATOM
683
CD
LYS
A
144
102.805
129.403
39.199
1.00
38.46
A

ATOM
684
CE
LYS
A
144
102.323
129.284
37.754
1.00
37.65
A

ATOM
685
NZ
LYS
A
144
100.929
128.895
37.762
1.00
39.11
A

ATOM
686
C
LYS
A
144
106.476
131.160
42.017
1.00
35.13
A

ATOM
687
O
LYS
A
144
107.067
130.564
42.906
1.00
35.94
A

ATOM
688
N
SER
A
145
106.039
132.391
42.189
1.00
33.52
A

ATOM
689
CA
SER
A
145
106.244
132.978
43.468
1.00
33.19
A

ATOM
690
CB
SER
A
145
107.405
133.912
43.395
1.00
34.21
A

ATOM
691
OG
SER
A
145
106.889
135.092
42.877
1.00
40.10
A

ATOM
692
C
SER
A
145
104.979
133.652
43.997
1.00
31.94
A

ATOM
693
O
SER
A
145
104.068
133.992
43.259
1.00
31.77
A

ATOM
694
N
PHE
A
146
104.923
133.805
45.304
1.00
31.80
A

ATOM
695
CA
PHE
A
146
103.754
134.365
45.952
1.00
30.69
A

ATOM
696
CB
PHE
A
146
103.724
133.986
47.468
1.00
30.68
A

ATOM
697
CG
PHE
A
146
103.237
132.573
47.765
1.00
29.20
A

ATOM
698
CD1
PHE
A
146
103.994
131.731
48.570
1.00
27.86
A

ATOM
699
CD2
PHE
A
146
102.042
132.081
47.209
1.00
28.48
A

ATOM
700
CE1
PHE
A
146
103.599
130.406
48.824
1.00
27.58
A

ATOM
701
CE2
PHE
A
146
101.633
130.759
47.458
1.00
28.89
A

ATOM
702
CZ
PHE
A
146
102.422
129.919
48.269
1.00
28.25
A

ATOM
703
C
PHE
A
146
103.730
135.841
45.850
1.00
29.94
A

ATOM
704
O
PHE
A
146
104.754
136.500
45.718
1.00
29.82
A

ATOM
705
N
THR
A
147
102.532
136.360
45.918
1.00
29.70
A

ATOM
706
CA
THR
A
147
102.348
137.794
45.942
1.00
30.52
A

ATOM
707
CB
THR
A
147
101.225
138.174
44.990
1.00
30.37
A

ATOM
708
OG1
THR
A
147
101.749
138.122
43.663
1.00
32.55
A

ATOM
709
CG2
THR
A
147
100.689
139.564
45.271
1.00
31.36
A

ATOM
710
C
THR
A
147
101.941
138.028
47.396
1.00
30.64
A

ATOM
711
O
THR
A
147
101.037
137.341
47.903
1.00
29.60
A

ATOM
712
N
LEU
A
148
102.620
138.930
48.100
1.00
30.11
A

ATOM
713
CA
LEU
A
148
102.234
139.131
49.478
1.00
29.69
A

ATOM
714
CB
LEU
A
148
103.414
139.534
50.330
1.00
28.01
A

ATOM
715
CG
LEU
A
148
104.596
138.594
50.386
1.00
30.59
A

ATOM
716
CD1
LEU
A
148
105.583
139.089
51.509
1.00
27.70
A

ATOM
717
CD2
LEU
A
148
104.091
137.153
50.647
1.00
28.77
A

ATOM
718
C
LEU
A
148
101.233
140.249
49.584
1.00
30.74
A

ATOM
719
O
LEU
A
148
101.235
141.184
48.743
1.00
31.21
A

ATOM
720
N
THR
A
149
100.384
140.151
50.621
1.00
29.38
A

ATOM
721
CA
THR
A
149
99.488
141.239
50.967
1.00
28.23
A

ATOM
722
CB
THR
A
149
97.988
140.867
50.848
1.00
29.13
A

ATOM
723
OG1
THR
A
149
97.653
140.625
49.459
1.00
26.50
A

ATOM
724
CG2
THR
A
149
97.141
142.029
51.403
1.00
24.70
A

ATOM
725
C
THR
A
149
99.818
141.637
52.417
1.00
27.50
A

ATOM
726
O
THR
A
149
99.654
140.839
53.339
1.00
27.36
A

ATOM
727
N
ILE
A
150
100.325
142.860
52.599
1.00
26.45
A

ATOM
728
CA
ILE
A
150
100.689
143.364
53.911
1.00
26.37
A

ATOM
729
CB
ILE
A
150
102.059
144.119
53.875
1.00
25.38
A

ATOM
730
CG2
ILE
A
150
102.342
144.797
55.172
1.00
21.32
A

ATOM
731
CG1
ILE
A
150
103.188
143.154
53.582
1.00
22.82
A

ATOM
732
CD1
ILE
A
150
104.401
143.921
53.185
1.00
21.25
A

ATOM
733
C
ILE
A
150
99.599
144.317
54.218
1.00
27.19
A

ATOM
734
O
ILE
A
150
99.367
145.220
53.404
1.00
27.20
A

ATOM
735
N
THR
A
151
98.927
144.102
55.363
1.00
27.95
A

ATOM
736
CA
THR
A
151
97.810
144.947
55.809
1.00
29.63
A

ATOM
737
CB
THR
A
151
96.551
144.168
56.002
1.00
29.92
A

ATOM
738
OG1
THR
A
151
96.265
143.444
54.803
1.00
32.57
A

ATOM
739
CG2
THR
A
151
95.393
145.103
56.233
1.00
30.78
A

ATOM
740
C
THR
A
151
98.143
145.614
57.125
1.00
31.47
A

ATOM
741
O
THR
A
151
98.536
144.931
58.095
1.00
34.30
A

ATOM
742
N
VAL
A
152
98.040
146.943
57.159
1.00
31.00
A

ATOM
743
CA
VAL
A
152
98.352
147.674
58.364
1.00
31.32
A

ATOM
744
CB
VAL
A
152
99.379
148.774
58.088
1.00
30.52
A

ATOM
745
CG1
VAL
A
152
99.448
149.725
59.263
1.00
26.04
A

ATOM
746
CG2
VAL
A
152
100.746
148.110
57.783
1.00
25.44
A

ATOM
747
C
VAL
A
152
97.008
148.202
58.836
1.00
32.99
A

ATOM
748
O
VAL
A
152
96.342
148.949
58.147
1.00
33.23
A

ATOM
749
N
PHE
A
153
96.611
147.757
60.022
1.00
33.91
A

ATOM
750
CA
PHE
A
153
95.306
148.070
60.558
1.00
35.31
A

ATOM
751
CB
PHE
A
153
94.858
146.895
61.450
1.00
33.39
A

ATOM
752
CG
PHE
A
153
94.585
145.629
60.667
1.00
33.50
A

ATOM
753
CD1
PHE
A
153
95.625
144.740
60.349
1.00
32.98
A

ATOM
754
CD2
PHE
A
153
93.305
145.340
60.202
1.00
30.84
A

ATOM
755
CE1
PHE
A
153
95.377
143.582
59.579
1.00
32.22
A

ATOM
756
CE2
PHE
A
153
93.067
144.201
59.446
1.00
30.16
A

ATOM
757
CZ
PHE
A
153
94.095
143.320
59.133
1.00
30.57
A

ATOM
758
C
PHE
A
153
95.042
149.409
61.234
1.00
36.75
A

ATOM
759
O
PHE
A
153
94.884
149.494
62.438
1.00
35.87
A

ATOM
760
N
THR
A
154
94.989
150.452
60.420
1.00
39.13
A

ATOM
761
CA
THR
A
154
94.674
151.809
60.871
1.00
41.41
A

ATOM
762
CB
THR
A
154
95.522
152.805
60.080
1.00
40.61
A

ATOM
763
OG1
THR
A
154
95.568
152.400
58.706
1.00
39.62
A

ATOM
764
CG2
THR
A
154
96.933
152.821
60.594
1.00
39.01
A

ATOM
765
C
THR
A
154
93.212
151.885
60.402
1.00
44.12
A

ATOM
766
O
THR
A
154
92.730
150.885
59.846
1.00
47.03
A

ATOM
767
N
ASN
A
155
92.496
152.996
60.608
1.00
45.71
A

ATOM
768
CA
ASN
A
155
91.111
153.111
60.117
1.00
46.43
A

ATOM
769
CB
ASN
A
155
90.183
153.494
61.208
1.00
49.54
A

ATOM
770
CG
ASN
A
155
90.342
152.644
62.358
1.00
54.70
A

ATOM
771
OD1
ASN
A
155
90.049
151.441
62.285
1.00
58.51
A

ATOM
772
ND2
ASN
A
155
90.852
153.215
63.462
1.00
58.02
A

ATOM
773
C
ASN
A
155
91.006
154.199
59.083
1.00
46.07
A

ATOM
774
O
ASN
A
155
91.073
155.383
59.423
1.00
48.00
A

ATOM
775
N
CPR
A
156
90.821
153.830
57.815
1.00
44.15
A

ATOM
776
CD
CPR
A
156
90.677
154.737
56.669
1.00
43.51
A

ATOM
777
CA
CPR
A
156
90.719
152.432
57.382
1.00
42.96
A

ATOM
778
CB
CPR
A
156
90.063
152.538
56.008
1.00
41.80
A

ATOM
779
CG
CPR
A
156
90.693
153.760
55.461
1.00
43.38
A

ATOM
780
C
CPR
A
156
92.096
151.760
57.297
1.00
41.23
A

ATOM
781
O
CPR
A
156
93.135
152.360
57.539
1.00
40.92
A

ATOM
782
N
PRO
A
157
92.098
150.483
56.978
1.00
40.21
A

ATOM
783
CD
PRO
A
157
90.933
149.587
56.850
1.00
38.86
A

ATOM
784
CA
PRO
A
157
93.368
149.766
56.867
1.00
36.73
A

ATOM
785
CB
PRO
A
157
92.922
148.316
56.689
1.00
38.77
A

ATOM
786
CG
PRO
A
157
91.501
148.298
57.315
1.00
39.41
A

ATOM
787
C
PRO
A
157
94.157
150.260
55.635
1.00
37.57
A

ATOM
788
O
PRO
A
157
93.581
150.750
54.691
1.00
37.58
A

ATOM
789
N
GLN
A
158
95.479
150.157
55.669
1.00
36.77
A

ATOM
790
CA
GLN
A
158
96.311
150.500
54.537
1.00
34.80
A

ATOM
791
CB
GLN
A
158
97.459
151.418
54.940
1.00
35.03
A

ATOM
792
CG
GLN
A
158
96.982
152.756
55.402
1.00
36.72
A

ATOM
793
CD
GLN
A
158
98.109
153.683
55.786
1.00
36.96
A

ATOM
794
OE1
GLN
A
158
98.854
154.136
54.943
1.00
37.08
A

ATOM
795
NE2
GLN
A
158
98.219
153.983
57.075
1.00
38.29
A

ATOM
796
C
GLN
A
158
96.854
149.144
54.109
1.00
34.24
A

ATOM
797
O
GLN
A
158
97.280
148.341
54.948
1.00
34.53
A

ATOM
798
N
VAL
A
159
96.837
148.892
52.810
1.00
32.24
A

ATOM
799
CA
VAL
A
159
97.308
147.639
52.273
1.00
30.89
A

ATOM
800
CB
VAL
A
159
96.123
146.913
51.628
1.00
31.78
A

ATOM
801
CG1
VAL
A
159
96.534
145.559
51.133
1.00
30.76
A

ATOM
802
CG2
VAL
A
159
95.017
146.784
52.652
1.00
29.08
A

ATOM
803
C
VAL
A
159
98.432
147.827
51.257
1.00
31.13
A

ATOM
804
O
VAL
A
159
98.429
148.740
50.454
1.00
31.30
A

ATOM
805
N
ALA
A
160
99.414
146.953
51.302
1.00
31.84
A

ATOM
806
CA
ALA
A
160
100.550
147.034
50.388
1.00
32.70
A

ATOM
807
CB
ALA
A
160
101.821
147.630
51.099
1.00
30.99
A

ATOM
808
C
ALA
A
160
100.879
145.640
49.877
1.00
34.13
A

ATOM
809
O
ALA
A
160
101.065
144.677
50.665
1.00
35.25
A

ATOM
810
N
THR
A
161
100.979
145.511
48.563
1.00
33.85
A

ATOM
811
CA
THR
A
161
101.308
144.217
48.032
1.00
33.75
A

ATOM
812
CB
THR
A
161
100.426
143.891
46.807
1.00
32.71
A

ATOM
813
OG1
THR
A
161
100.516
144.938
45.661
1.00
32.67
A

ATOM
814
CG2
THR
A
161
98.983
143.785
47.182
1.00
32.42
A

ATOM
815
C
THR
A
161
102.802
144.227
47.674
1.00
34.84
A

ATOM
816
O
THR
A
161
103.439
145.282
47.587
1.00
34.43
A

ATOM
817
N
TYR
A
162
103.345
143.038
47.528
1.00
35.00
A

ATOM
818
CA
TYR
A
162
104.726
142.834
47.173
1.00
36.92
A

ATOM
819
CB
TYR
A
162
105.491
142.466
48.439
1.00
38.63
A

ATOM
820
CG
TYR
A
162
106.966
142.170
48.313
1.00
41.23
A

ATOM
821
CD1
TYR
A
162
107.649
141.664
49.415
1.00
42.60
A

ATOM
822
CE1
TYR
A
162
108.984
141.340
49.355
1.00
46.22
A

ATOM
823
CD2
TYR
A
162
107.656
142.347
47.126
1.00
42.07
A

ATOM
824
CE2
TYR
A
162
109.009
142.025
47.027
1.00
45.37
A

ATOM
825
CZ
TYR
A
162
109.687
141.518
48.156
1.00
48.16
A

ATOM
826
OH
TYR
A
162
111.062
141.192
48.136
1.00
50.51
A

ATOM
827
C
TYR
A
162
104.569
141.653
46.185
1.00
37.28
A

ATOM
828
O
TYR
A
162
104.286
140.516
46.571
1.00
37.14
A

ATOM
829
N
HIS
A
163
104.666
141.943
44.892
1.00
37.89
A

ATOM
830
CA
HIS
A
163
104.512
140.903
43.885
1.00
38.08
A

ATOM
831
CB
HIS
A
163
104.054
141.520
42.550
1.00
38.31
A

ATOM
832
CG
HIS
A
163
102.575
141.797
42.494
1.00
39.32
A

ATOM
833
CD2
HIS
A
163
101.556
141.061
41.997
1.00
37.89
A

ATOM
834
ND1
HIS
A
163
101.988
142.906
43.076
1.00
40.25
A

ATOM
835
CE1
HIS
A
163
100.679
142.841
42.940
1.00
38.19
A

ATOM
836
NE2
HIS
A
163
100.394
141.730
42.288
1.00
39.38
A

ATOM
837
C
HIS
A
163
105.772
140.060
43.676
1.00
38.59
A

ATOM
838
O
HIS
A
163
106.918
140.554
43.820
1.00
38.21
A

ATOM
839
N
ARG
A
164
105.564
138.775
43.377
1.00
38.49
A

ATOM
840
CA
ARG
A
164
106.692
137.885
43.105
1.00
39.06
A

ATOM
841
CB
ARG
A
164
107.335
138.249
41.747
1.00
39.78
A

ATOM
842
CG
ARG
A
164
106.456
137.916
40.578
1.00
43.72
A

ATOM
843
CD
ARG
A
164
106.940
138.529
39.258
1.00
50.23
A

ATOM
844
NE
ARG
A
164
106.060
139.658
38.891
1.00
57.59
A

ATOM
845
CZ
ARG
A
164
106.351
140.972
38.962
1.00
59.53
A

ATOM
846
NH1
ARG
A
164
107.562
141.412
39.379
1.00
60.94
A

ATOM
847
NH2
ARG
A
164
105.378
141.857
38.666
1.00
60.09
A

ATOM
848
C
ARG
A
164
107.718
138.026
44.208
1.00
37.85
A

ATOM
849
O
ARG
A
164
108.919
138.126
43.964
1.00
38.47
A

ATOM
850
N
ALA
A
165
107.241
138.017
45.436
1.00
37.01
A

ATOM
851
CA
ALA
A
165
108.136
138.184
46.585
1.00
36.10
A

ATOM
852
CB
ALA
A
165
107.330
138.653
47.819
1.00
34.36
A

ATOM
853
C
ALA
A
165
108.925
136.948
46.962
1.00
35.11
A

ATOM
854
O
ALA
A
165
110.032
137.072
47.424
1.00
36.59
A

ATOM
855
N
ILE
A
166
108.357
135.761
46.795
1.00
33.30
A

ATOM
856
CA
ILE
A
166
109.077
134.585
47.208
1.00
31.23
A

ATOM
857
CB
ILE
A
166
109.105
134.525
48.715
1.00
31.57
A

ATOM
858
CG2
ILE
A
166
107.653
134.479
49.291
1.00
30.92
A

ATOM
859
CG1
ILE
A
166
109.848
133.275
49.171
1.00
31.59
A

ATOM
860
CD1
ILE
A
166
109.961
133.193
50.695
1.00
31.21
A

ATOM
861
C
ILE
A
166
108.453
133.315
46.697
1.00
30.25
A

ATOM
862
O
ILE
A
166
107.240
133.215
46.638
1.00
29.37
A

ATOM
863
N
LYS
A
167
109.289
132.369
46.287
1.00
30.24
A

ATOM
864
CA
LYS
A
167
108.809
131.062
45.832
1.00
31.48
A

ATOM
865
CB
LYS
A
167
109.576
130.585
44.602
1.00
32.30
A

ATOM
866
CG
LYS
A
167
109.329
129.145
44.255
1.00
32.37
A

ATOM
867
CD
LYS
A
167
109.962
128.788
42.907
1.00
30.90
A

ATOM
868
CE
LYS
A
167
111.481
128.740
42.961
1.00
30.89
A

ATOM
869
NZ
LYS
A
167
112.071
128.202
41.659
1.00
31.69
A

ATOM
870
C
LYS
A
167
109.037
130.084
47.003
1.00
32.11
A

ATOM
871
O
LYS
A
167
110.138
130.049
47.624
1.00
32.76
A

ATOM
872
N
ILE
A
168
107.989
129.336
47.328
1.00
30.71
A

ATOM
873
CA
ILE
A
168
108.065
128.382
48.401
1.00
31.36
A

ATOM
874
CB
ILE
A
168
106.998
128.679
49.438
1.00
30.22
A

ATOM
875
CG2
ILE
A
168
106.946
127.502
50.433
1.00
27.64
A

ATOM
876
CG1
ILE
A
168
107.278
130.025
50.071
1.00
28.53
A

ATOM
877
CD1
ILE
A
168
108.617
130.055
50.876
1.00
28.88
A

ATOM
878
C
ILE
A
168
107.881
126.949
47.890
1.00
31.79
A

ATOM
879
O
ILE
A
168
106.859
126.611
47.325
1.00
32.83
A

ATOM
880
N
THR
A
169
108.856
126.102
48.116
1.00
31.80
A

ATOM
881
CA
THR
A
169
108.785
124.725
47.622
1.00
31.71
A

ATOM
882
CB
THR
A
169
109.858
124.426
46.581
1.00
29.64
A

ATOM
883
OG1
THR
A
169
111.158
124.595
47.197
1.00
29.76
A

ATOM
884
CG2
THR
A
169
109.715
125.369
45.402
1.00
28.25
A

ATOM
885
C
THR
A
169
109.091
123.835
48.795
1.00
33.41
A

ATOM
886
O
THR
A
169
109.666
124.282
49.761
1.00
33.19
A

ATOM
887
N
VAL
A
170
108.767
122.555
48.640
1.00
35.11
A

ATOM
888
CA
VAL
A
170
108.899
121.545
49.653
1.00
34.80
A

ATOM
889
CB
VAL
A
170
108.227
120.286
49.111
1.00
36.72
A

ATOM
890
CG1
VAL
A
170
108.949
119.053
49.556
1.00
37.68
A

ATOM
891
CG2
VAL
A
170
106.754
120.260
49.574
1.00
36.35
A

ATOM
892
C
VAL
A
170
110.316
121.335
50.076
1.00
34.79
A

ATOM
893
O
VAL
A
170
110.604
121.055
51.240
1.00
38.27
A

ATOM
894
N
ASP
A
171
111.228
121.520
49.160
1.00
34.22
A

ATOM
895
CA
ASP
A
171
112.624
121.340
49.461
1.00
34.75
A

ATOM
896
CB
ASP
A
171
113.290
120.623
48.303
1.00
34.45
A

ATOM
897
CG
ASP
A
171
112.977
119.113
48.280
1.00
36.90
A

ATOM
898
OD1
ASP
A
171
112.153
118.616
49.107
1.00
34.28
A

ATOM
899
OD2
ASP
A
171
113.575
118.419
47.414
1.00
38.84
A

ATOM
900
C
ASP
A
171
113.384
122.609
49.719
1.00
35.86
A

ATOM
901
O
ASP
A
171
114.331
122.633
50.494
1.00
36.44
A

ATOM
902
N
GLY
A
172
112.980
123.675
49.055
1.00
36.56
A

ATOM
903
CA
GLY
A
172
113.713
124.902
49.202
1.00
37.50
A

ATOM
904
C
GLY
A
172
114.922
124.802
48.285
1.00
38.31
A

ATOM
905
O
GLY
A
172
115.138
123.816
47.624
1.00
36.60
A

ATOM
906
N
PRO
A
173
115.736
125.842
48.219
1.00
40.22
A

ATOM
907
CD
PRO
A
173
115.553
127.128
48.907
1.00
39.50
A

ATOM
908
CA
PRO
A
173
116.927
125.864
47.373
1.00
41.64
A

ATOM
909
CB
PRO
A
173
117.652
127.103
47.865
1.00
39.62
A

ATOM
910
CG
PRO
A
173
116.558
128.000
48.197
1.00
40.22
A

ATOM
911
C
PRO
A
173
117.759
124.622
47.573
1.00
44.53
A

ATOM
912
O
PRO
A
173
117.961
124.204
48.730
1.00
45.57
A

ATOM
913
N
ARG
A
174
118.240
124.041
46.467
1.00
47.04
A

ATOM
914
CA
ARG
A
174
119.103
122.856
46.515
1.00
51.03
A

ATOM
915
CB
ARG
A
174
118.296
121.547
46.431
1.00
49.51
A

ATOM
916
CG
ARG
A
174
117.986
120.959
47.805
1.00
47.33
A

ATOM
917
CD
ARG
A
174
117.162
119.702
47.711
1.00
47.24
A

ATOM
918
NE
ARG
A
174
117.932
118.478
47.516
1.00
44.74
A

ATOM
919
CZ
ARG
A
174
117.353
117.297
47.496
1.00
45.23
A

ATOM
920
NH1
ARG
A
174
116.043
117.214
47.653
1.00
45.98
A

ATOM
921
NH2
ARG
A
174
118.066
116.212
47.345
1.00
45.67
A

ATOM
922
C
ARG
A
174
120.198
122.830
45.476
1.00
53.96
A

ATOM
923
O
ARG
A
174
119.990
123.194
44.334
1.00
53.76
A

ATOM
924
N
GLU
A
175
121.383
122.387
45.890
1.00
58.77
A

ATOM
925
CA
GLU
A
175
122.526
122.286
44.973
1.00
63.27
A

ATOM
926
CB
GLU
A
175
123.771
121.929
45.765
1.00
65.78
A

ATOM
927
CG
GLU
A
175
125.058
122.405
45.116
1.00
70.55
A

ATOM
928
CD
GLU
A
175
125.143
123.946
44.972
1.00
72.57
A

ATOM
929
OE1
GLU
A
175
126.070
124.440
44.270
1.00
74.57
A

ATOM
930
OE2
GLU
A
175
124.291
124.660
45.556
1.00
73.07
A

ATOM
931
C
GLU
A
175
122.273
121.210
43.899
1.00
64.46
A

ATOM
932
O
GLU
A
175
121.814
120.106
44.208
1.00
65.76
A

ATOM
933
N
PRO
A
176
122.576
121.509
42.632
1.00
65.46
A

ATOM
934
CD
PRO
A
176
123.441
122.624
42.213
1.00
66.09
A

ATOM
935
CA
PRO
A
176
122.372
120.560
41.520
1.00
66.00
A

ATOM
936
CB
PRO
A
176
123.023
121.269
40.332
1.00
65.28
A

ATOM
937
CG
PRO
A
176
124.103
122.052
40.967
1.00
65.52
A

ATOM
938
C
PRO
A
176
123.004
119.211
41.821
1.00
66.72
A

ATOM
939
O
PRO
A
176
123.952
119.148
42.630
1.00
66.79
A

ATOM
940
N
ARG
A
177
122.495
118.137
41.197
1.00
67.41
A

ATOM
941
CA
ARG
A
177
123.048
116.812
41.497
1.00
68.09
A

ATOM
942
CB
ARG
A
177
122.223
116.165
42.645
1.00
67.68
A

ATOM
943
CG
ARG
A
177
120.683
116.344
42.720
1.00
63.90
A

ATOM
944
CD
ARG
A
177
120.122
115.236
43.682
1.00
61.55
A

ATOM
945
NE
ARG
A
177
118.747
115.430
44.084
1.00
57.92
A

ATOM
946
CZ
ARG
A
177
117.921
114.446
44.416
1.00
57.17
A

ATOM
947
NH1
ARG
A
177
118.314
113.188
44.392
1.00
56.04
A

ATOM
948
NH2
ARG
A
177
116.686
114.731
44.780
1.00
57.03
A

ATOM
949
C
ARG
A
177
123.392
115.738
40.432
1.00
68.08
A

ATOM
950
O
ARG
A
177
122.673
115.507
39.460
1.00
69.18
A

ATOM
951
N
ALA
A
178
125.380
113.657
39.138
0.00
77.86
A

ATOM
952
CA
ALA
A
178
124.466
112.919
38.277
0.00
77.84
A

ATOM
953
CB
ALA
A
178
123.178
112.603
39.030
0.00
77.87
A

ATOM
954
C
ALA
A
178
124.155
113.706
37.006
0.00
77.83
A

ATOM
955
O
ALA
A
178
124.351
113.133
35.912
0.00
77.83
A

ATOM
956
OXT
ALA
A
178
123.719
114.881
37.118
1.00
77.71
A

ATOM
957
CB
PRO
B
2
102.770
160.149
51.421
1.00
33.13
B

ATOM
958
CG
PRO
B
2
103.695
159.663
50.327
1.00
32.43
B

ATOM
959
C
PRO
B
2
101.751
157.990
52.154
1.00
34.71
B

ATOM
960
O
PRO
B
2
101.939
157.013
51.434
1.00
34.30
B

ATOM
961
N
PRO
B
2
104.183
158.356
52.193
1.00
33.17
B

ATOM
962
CD
PRO
B
2
104.835
158.959
51.020
1.00
31.40
B

ATOM
963
CA
PRO
B
2
102.858
158.994
52.410
1.00
34.12
B

ATOM
964
N
ARG
B
3
100.588
158.224
52.738
1.00
35.57
B

ATOM
965
CA
ARG
B
3
99.469
157.331
52.541
1.00
34.77
B

ATOM
966
CB
ARG
B
3
98.281
157.829
53.338
1.00
37.28
B

ATOM
967
CG
ARG
B
3
98.587
158.376
54.705
1.00
41.02
B

ATOM
968
CD
ARG
B
3
97.276
158.817
55.351
1.00
44.18
B

ATOM
969
NE
ARG
B
3
96.726
157.711
56.129
1.00
48.71
B

ATOM
970
CZ
ARG
B
3
95.457
157.336
56.153
1.00
47.47
B

ATOM
971
NH1
ARG
B
3
94.561
157.974
55.429
1.00
49.05
B

ATOM
972
NH2
ARG
B
3
95.099
156.307
56.905
1.00
48.21
B

ATOM
973
C
ARG
B
3
99.024
157.087
51.077
1.00
33.31
B

ATOM
974
O
ARG
B
3
98.705
155.951
50.726
1.00
32.67
B

ATOM
975
N
VAL
B
4
98.993
158.099
50.223
1.00
32.81
B

ATOM
976
CA
VAL
B
4
98.531
157.846
48.855
1.00
34.28
B

ATOM
977
CB
VAL
B
4
97.223
158.541
48.576
1.00
33.86
B

ATOM
978
CG1
VAL
B
4
96.058
157.851
49.288
1.00
32.51
B

ATOM
979
CG2
VAL
B
4
97.368
159.959
49.040
1.00
34.55
B

ATOM
980
C
VAL
B
4
99.514
158.338
47.810
1.00
35.83
B

ATOM
981
O
VAL
B
4
100.474
159.017
48.139
1.00
37.05
B

ATOM
982
N
VAL
B
5
99.307
157.977
46.551
1.00
36.26
B

ATOM
983
CA
VAL
B
5
100.175
158.463
45.501
1.00
36.94
B

ATOM
984
CB
VAL
B
5
100.158
157.556
44.305
1.00
36.12
B

ATOM
985
CG1
VAL
B
5
100.632
156.188
44.717
1.00
35.53
B

ATOM
986
CG2
VAL
B
5
98.719
157.467
43.716
1.00
35.15
B

ATOM
987
C
VAL
B
5
99.564
159.781
45.084
1.00
40.09
B

ATOM
988
O
VAL
B
5
98.399
160.079
45.409
1.00
41.73
B

ATOM
989
N
PRO
B
6
100.308
160.600
44.330
1.00
42.18
B

ATOM
990
CD
PRO
B
6
101.739
160.576
44.005
1.00
40.28
B

ATOM
991
CA
PRO
B
6
99.691
161.874
43.940
1.00
42.53
B

ATOM
992
CB
PRO
B
6
100.868
162.704
43.483
1.00
41.16
B

ATOM
993
CG
PRO
B
6
101.825
161.709
43.059
1.00
41.38
B

ATOM
994
C
PRO
B
6
98.549
161.854
42.942
1.00
43.01
B

ATOM
995
O
PRO
B
6
97.845
162.842
42.844
1.00
45.46
B

ATOM
996
N
ASP
B
7
98.359
160.807
42.167
1.00
43.15
B

ATOM
997
CA
ASP
B
7
97.173
160.799
41.321
1.00
44.35
B

ATOM
998
CB
ASP
B
7
97.490
161.146
39.850
1.00
47.67
B

ATOM
999
CG
ASP
B
7
96.208
161.127
38.929
1.00
51.36
B

ATOM
1000
OD1
ASP
B
7
95.067
161.188
39.455
1.00
53.98
B

ATOM
1001
OD2
ASP
B
7
96.326
161.055
37.674
1.00
53.25
B

ATOM
1002
C
ASP
B
7
96.510
159.411
41.461
1.00
43.89
B

ATOM
1003
O
ASP
B
7
96.809
158.460
40.714
1.00
44.12
B

ATOM
1004
N
GLN
B
8
95.623
159.298
42.450
1.00
42.65
B

ATOM
1005
CA
GLN
B
8
94.949
158.042
42.740
1.00
41.85
B

ATOM
1006
CB
GLN
B
8
94.073
158.193
43.975
1.00
40.88
B

ATOM
1007
CG
GLN
B
8
94.909
158.539
45.180
1.00
40.17
B

ATOM
1008
CD
GLN
B
8
94.137
158.586
46.451
1.00
40.71
B

ATOM
1009
OE1
GLN
B
8
93.483
157.631
46.834
1.00
42.29
B

ATOM
1010
NE2
GLN
B
8
94.239
159.687
47.146
1.00
40.55
B

ATOM
1011
C
GLN
B
8
94.150
157.522
41.594
1.00
43.00
B

ATOM
1012
O
GLN
B
8
94.427
156.430
41.083
1.00
43.00
B

ATOM
1013
N
ARG
B
9
93.176
158.309
41.156
1.00
44.11
B

ATOM
1014
CA
ARG
B
9
92.371
157.877
40.048
1.00
44.59
B

ATOM
1015
CB
ARG
B
9
91.429
158.989
39.584
1.00
47.07
B

ATOM
1016
CG
ARG
B
9
90.687
158.619
38.299
1.00
50.23
B

ATOM
1017
CD
ARG
B
9
89.441
159.465
38.019
1.00
52.66
B

ATOM
1018
NE
ARG
B
9
88.188
158.902
38.527
1.00
54.08
B

ATOM
1019
CZ
ARG
B
9
87.444
159.528
39.442
1.00
57.02
B

ATOM
1020
NH1
ARG
B
9
87.849
160.716
39.926
1.00
58.17
B

ATOM
1021
NH2
ARG
B
9
86.302
158.987
39.885
1.00
57.97
B

ATOM
1022
C
ARG
B
9
93.195
157.362
38.866
1.00
44.17
B

ATOM
1023
O
ARG
B
9
92.881
156.290
38.299
1.00
43.42
B

ATOM
1024
N
SER
B
10
94.259
158.063
38.478
1.00
44.06
B

ATOM
1025
CA
SER
B
10
94.993
157.558
37.319
1.00
44.47
B

ATOM
1026
CB
SER
B
10
96.034
158.562
36.882
1.00
44.76
B

ATOM
1027
OG
SER
B
10
96.631
158.126
35.669
1.00
50.56
B

ATOM
1028
C
SER
B
10
95.600
156.169
37.563
1.00
43.89
B

ATOM
1029
O
SER
B
10
95.504
155.295
36.683
1.00
42.91
B

ATOM
1030
N
LYS
B
11
96.169
155.952
38.762
1.00
44.12
B

ATOM
1031
CA
LYS
B
11
96.781
154.668
39.118
1.00
43.94
B

ATOM
1032
CB
LYS
B
11
97.261
154.682
40.535
1.00
44.05
B

ATOM
1033
CG
LYS
B
11
98.282
153.619
40.748
1.00
46.02
B

ATOM
1034
CD
LYS
B
11
99.059
153.709
42.054
1.00
46.73
B

ATOM
1035
CE
LYS
B
11
100.254
52.805
41.887
1.00
47.43
B

ATOM
1036
NZ
LYS
B
11
100.602
152.178
43.150
1.00
52.18
B

ATOM
1037
C
LYS
B
11
95.745
153.577
38.982
1.00
45.09
B

ATOM
1038
O
LYS
B
11
95.954
152.522
38.333
1.00
43.17
B

ATOM
1039
N
PHE
B
12
94.599
153.859
39.592
1.00
45.86
B

ATOM
1040
CA
PHE
B
12
93.488
152.939
39.553
1.00
47.38
B

ATOM
1041
CB
PHE
B
12
92.313
153.465
40.343
1.00
47.92
B

ATOM
1042
CG
PHE
B
12
91.198
152.455
40.482
1.00
50.12
B

ATOM
1043
CD1
PHE
B
12
91.306
151.413
41.407
1.00
49.35
B

ATOM
1044
CD2
PHE
B
12
90.043
152.539
39.696
1.00
49.50
B

ATOM
1045
CE1
PHE
B
12
90.271
150.480
41.546
1.00
49.93
B

ATOM
1046
CE2
PHE
B
12
89.012
151.613
39.835
1.00
48.32
B

ATOM
1047
CZ
PHE
B
12
89.117
150.582
40.759
1.00
49.05
B

ATOM
1048
C
PHE
B
12
92.947
152.641
38.171
1.00
48.23
B

ATOM
1049
O
PHE
B
12
92.469
151.552
37.912
1.00
48.94
B

ATOM
1050
N
GLU
B
13
92.947
153.612
37.289
1.00
49.44
B

ATOM
1051
CA
GLU
B
13
92.373
153.314
36.009
1.00
51.19
B

ATOM
1052
CB
GLU
B
13
91.709
154.573
35.451
1.00
53.23
B

ATOM
1053
CG
GLU
B
13
90.535
155.081
36.340
1.00
55.04
B

ATOM
1054
CD
GLU
B
13
89.698
156.211
35.700
1.00
55.42
B

ATOM
1055
OE1
GLU
B
13
90.061
156.573
34.554
1.00
54.92
B

ATOM
1056
OE2
GLU
B
13
88.704
156.710
36.350
1.00
55.29
B

ATOM
1057
C
GLU
B
13
93.390
152.747
35.056
1.00
51.78
B

ATOM
1058
O
GLU
B
13
93.027
152.037
34.122
1.00
52.30
B

ATOM
1059
N
ASN
B
14
94.664
153.020
35.325
1.00
52.10
B

ATOM
1060
CA
ASN
B
14
95.753
152.577
34.453
1.00
52.76
B

ATOM
1061
CB
ASN
B
14
96.798
153.720
34.281
1.00
53.25
B

ATOM
1062
CG
ASN
B
14
96.326
154.829
33.305
1.00
54.53
B

ATOM
1063
OD1
ASN
B
14
96.438
154.664
32.090
1.00
56.18
B

ATOM
1064
ND2
ASN
B
14
95.789
155.935
33.831
1.00
52.16
B

ATOM
1065
C
ASN
B
14
96.502
151.274
34.758
1.00
53.12
B

ATOM
1066
O
ASN
B
14
96.710
150.530
33.835
1.00
53.84
B

ATOM
1067
N
GLU
B
15
96.905
150.999
36.011
1.00
53.07
B

ATOM
1068
CA
GLU
B
15
97.671
149.797
36.335
1.00
52.98
B

ATOM
1069
CB
GLU
B
15
98.254
149.861
37.738
1.00
55.54
B

ATOM
1070
CG
GLU
B
15
99.129
151.045
37.995
1.00
58.64
B

ATOM
1071
CD
GLU
B
15
100.031
150.833
39.208
1.00
59.81
B

ATOM
1072
OE1
GLU
B
15
99.572
150.324
40.260
1.00
60.16
B

ATOM
1073
OE2
GLU
B
15
101.218
151.193
39.089
1.00
62.17
B

ATOM
1074
C
GLU
B
15
96.879
148.515
36.240
1.00
52.47
B

ATOM
1075
O
GLU
B
15
95.756
148.420
36.735
1.00
52.55
B

ATOM
1076
N
GLU
B
16
97.503
147.524
35.635
1.00
51.07
B

ATOM
1077
CA
GLU
B
16
96.894
146.253
35.464
1.00
51.02
B

ATOM
1078
CB
GLU
B
16
97.916
145.327
34.825
1.00
53.86
B

ATOM
1079
CG
GLU
B
16
97.393
144.020
34.210
1.00
59.93
B

ATOM
1080
CD
GLU
B
16
98.557
143.189
33.593
1.00
63.63
B

ATOM
1081
OE1
GLU
B
16
99.626
143.046
34.264
1.00
64.97
B

ATOM
1082
OE2
GLU
B
16
98.416
142.684
32.437
1.00
65.34
B

ATOM
1083
C
GLU
B
16
96.425
145.721
36.818
1.00
50.16
B

ATOM
1084
O
GLU
B
16
95.341
145.112
36.920
1.00
49.54
B

ATOM
1085
N
PHE
B
17
97.209
145.966
37.872
1.00
48.87
B

ATOM
1086
CA
PHE
B
17
96.842
145.453
39.215
1.00
46.74
B

ATOM
1087
CB
PHE
B
17
97.724
146.025
40.326
1.00
43.02
B

ATOM
1088
CG
PHE
B
17
97.298
145.611
41.692
1.00
40.28
B

ATOM
1089
CD1
PHE
B
17
97.483
144.287
42.129
1.00
39.18
B

ATOM
1090
CD2
PHE
B
17
96.625
146.519
42.538
1.00
38.42
B

ATOM
1091
CE1
PHE
B
17
96.991
143.874
43.405
1.00
38.73
B

ATOM
1092
CE2
PHE
B
17
96.132
146.127
43.780
1.00
35.92
B

ATOM
1093
CZ
PHE
B
17
96.309
144.804
44.225
1.00
36.66
B

ATOM
1094
C
PHE
B
17
95.409
145.793
39.539
1.00
46.61
B

ATOM
1095
O
PHE
B
17
94.621
144.926
39.960
1.00
45.82
B

ATOM
1096
N
PHE
B
18
95.068
147.065
39.352
1.00
47.09
B

ATOM
1097
CA
PHE
B
18
93.697
147.465
39.637
1.00
48.31
B

ATOM
1098
CB
PHE
B
18
93.620
148.977
39.843
1.00
47.44
B

ATOM
1099
CG
PHE
B
18
94.337
149.454
41.087
1.00
46.14
B

ATOM
1100
CD1
PHE
B
18
95.600
150.056
40.993
1.00
45.33
B

ATOM
1101
CD2
PHE
B
18
93.769
149.265
42.350
1.00
44.62
B

ATOM
1102
CE1
PHE
B
18
96.284
150.457
42.129
1.00
44.18
B

ATOM
1103
CE2
PHE
B
18
94.432
149.658
43.491
1.00
43.94
B

ATOM
1104
CZ
PHE
B
18
95.702
150.260
43.385
1.00
44.07
B

ATOM
1105
C
PHE
B
18
92.695
246.988
38.570
1.00
48.93
B

ATOM
1106
O
PHE
B
18
91.705
146.325
38.893
1.00
49.06
B

ATOM
1107
N
ARG
B
19
92.962
147.307
37.314
1.00
49.92
B

ATOM
1108
CA
ARG
B
19
92.098
146.873
36.228
1.00
51.44
B

ATOM
1109
CB
ARG
B
19
92.825
147.058
34.881
1.00
53.15
B

ATOM
1110
CG
ARG
B
19
93.508
148.443
34.748
1.00
57.30
B

ATOM
1111
CD
ARG
B
19
94.090
148.752
33.367
1.00
58.35
B

ATOM
1112
NE
ARG
B
19
93.019
149.237
32.517
1.00
61.31
B

ATOM
1113
CZ
ARG
B
29
93.156
149.579
31.239
1.00
62.70
B

ATOM
1114
NH1
ARG
B
19
94.356
149.494
30.657
1.00
63.13
B

ATOM
1115
NH2
ARG
B
19
92.081
149.979
30.535
1.00
62.01
B

ATOM
1116
C
ARG
B
19
91.639
145.412
36.409
1.00
51.04
B

ATOM
1117
O
ARG
B
19
90.461
145.130
36.268
1.00
50.71
B

ATOM
1118
N
LYS
B
20
92.551
144.498
36.738
1.00
51.46
B

ATOM
1119
CA
LYS
B
20
92.200
143.080
36.930
1.00
52.10
B

ATOM
1120
CB
LYS
B
20
93.455
142.225
37.201
1.00
53.92
B

ATOM
1121
CG
LYS
B
20
94.215
141.839
35.935
1.00
57.20
B

ATOM
1122
CD
LYS
B
20
95.162
140.664
36.147
1.00
59.77
B

ATOM
1123
CE
LYS
B
20
95.932
140.407
34.852
1.00
62.33
B

ATOM
1124
NZ
LYS
B
20
97.397
140.083
35.034
1.00
64.96
B

ATOM
1125
C
LYS
B
20
91.252
142.870
38.081
1.00
51.91
B

ATOM
1126
O
LYS
B
20
90.684
141.794
38.242
1.00
51.79
B

ATOM
1127
N
LEU
B
21
91.091
143.884
38.910
1.00
51.11
B

ATOM
1128
CA
LEU
B
21
90.223
143.702
40.033
1.00
51.24
B

ATOM
1129
CB
LEU
B
21
91.011
143.928
41.328
1.00
50.68
B

ATOM
1130
CG
LEU
B
21
91.796
142.820
42.047
1.00
49.87
B

ATOM
1131
CD1
LEU
B
21
91.758
141.582
41.231
1.00
48.95
B

ATOM
1132
CD2
LEU
B
21
93.255
143.261
42.313
1.00
48.70
B

ATOM
1133
C
LEU
B
21
89.030
144.621
39.980
1.00
51.53
B

ATOM
1134
O
LEU
B
21
88.214
144.612
40.884
1.00
51.01
B

ATOM
1135
N
SER
B
22
88.903
145.395
38.916
1.00
52.46
B

ATOM
1136
CA
SER
B
22
87.813
146.349
38.866
1.00
55.27
B

ATOM
1137
CB
SER
B
22
88.245
147.593
38.123
1.00
54.99
B

ATOM
1138
OG
SER
B
22
88.882
147.201
36.931
1.00
57.43
B

ATOM
1139
C
SER
B
22
86.490
145.857
38.350
1.00
56.67
B

ATOM
1140
O
SER
B
22
85.494
146.537
36.529
1.00
56.06
B

ATOM
1141
N
ARG
B
23
86.483
144.676
37.735
1.00
60.02
B

ATOM
1142
CA
ARG
B
23
85.240
144.034
37.261
1.00
63.10
B

ATOM
1143
CB
ARG
B
23
85.379
143.497
35.837
1.00
66.91
B

ATOM
1144
CG
ARG
B
23
85.420
144.606
34.784
1.00
72.92
B

ATOM
1145
CD
ARG
B
23
86.713
145.492
34.797
1.00
77.51
B

ATOM
1146
NE
ARG
B
23
86.499
146.760
34.071
1.00
81.54
B

ATOM
1147
CZ
ARG
B
23
87.413
147.366
33.303
1.00
84.01
B

ATOM
1148
NH1
ARG
B
23
88.621
146.822
33.151
1.00
85.11
B

ATOM
1149
NH2
ARG
B
23
87.121
148.511
32.674
1.00
84.22
B

ATOM
1150
C
ARG
B
23
84.971
142.883
38.204
1.00
62.72
B

ATOM
1151
O
ARG
B
23
85.900
142.314
38.767
1.00
62.78
B

ATOM
1152
N
GLU
B
24
83.717
142.524
38.395
1.00
62.75
B

ATOM
1153
CA
CLU
B
24
83.453
141.431
39.322
1.00
62.61
B

ATOM
1154
CB
CLU
B
24
81.976
141.164
39.413
1.00
64.73
B

ATOM
1155
CG
GLU
B
24
81.274
142.236
40.144
1.00
69.19
B

ATOM
1156
CD
GLU
B
24
79.785
142.225
39.842
1.00
71.77
B

ATOM
1157
OE1
GLU
B
24
79.207
141.096
39.906
1.00
71.62
B

ATOM
1158
OE2
GLU
B
24
79.225
143.341
39.546
1.00
72.88
B

ATOM
1159
C
GLU
B
24
84.150
140.130
38.979
1.00
61.07
B

ATOM
1160
O
GLU
B
24
84.259
139.757
37.803
1.00
60.58
B

ATOM
1161
N
CYS
B
25
84.639
139.442
40.012
1.00
59.00
B

ATOM
1162
CA
CYS
B
25
85.294
138.150
39.817
1.00
56.20
B

ATOM
1163
CB
CYS
B
25
86.751
138.284
39.339
1.00
56.47
B

ATOM
1164
SG
CYS
B
25
87.737
139.559
40.149
1.00
54.54
B

ATOM
1165
C
CYS
B
25
85.238
137.253
41.011
1.00
53.95
B

ATOM
1166
O
CYS
B
25
84.807
137.634
42.101
1.00
52.79
B

ATOM
1167
N
GLU
B
26
85.660
136.031
40.765
1.00
52.99
B

ATOM
1168
CA
GLU
B
26
85.626
134.999
41.775
1.00
53.79
B

ATOM
1169
CB
GLU
B
26
86.110
133.674
41.164
1.00
54.09
B

ATOM
1170
CG
GLU
B
26
85.943
132.478
42.073
1.00
55.84
B

ATOM
1171
CD
GLU
B
26
86.369
131.191
41.396
1.00
57.81
B

ATOM
1172
OE1
GLU
B
26
86.448
130.159
42.098
1.00
58.26
B

ATOM
1173
OE2
GLU
B
26
86.618
131.198
40.168
1.00
58.78
B

ATOM
1174
C
GLU
B
26
86.432
135.347
43.028
1.00
52.92
B

ATOM
1175
O
GLU
B
26
87.614
135.617
42.947
1.00
54.16
B

ATOM
1176
N
ILE
B
27
85.772
135.386
44.167
1.00
51.25
B

ATOM
1177
CA
ILE
B
27
86.426
135.665
45.409
1.00
51.10
B

ATOM
1178
CB
ILE
B
27
85.905
136.924
46.064
1.00
50.50
B

ATOM
1179
CG2
ILE
B
27
86.394
138.117
45.255
1.00
48.81
B

ATOM
1180
CG1
ILE
B
27
84.376
136.852
46.186
1.00
51.16
B

ATOM
1181
CD1
ILE
B
27
83.775
137.730
47.239
1.00
51.25
B

ATOM
1182
C
ILE
B
27
86.146
134.470
46.275
1.00
51.70
B

ATOM
1183
O
ILE
B
27
85.421
133.580
45.882
1.00
52.87
B

ATOM
1184
N
LYS
B
28
86.723
134.427
47.457
1.00
52.12
B

ATOM
1185
CA
LYS
B
28
86.526
133.265
48.295
1.00
51.78
B

ATOM
1186
CB
LYS
B
28
87.220
132.091
47.625
1.00
52.22
B

ATOM
1187
CG
LYS
B
28
87.139
130.799
48.386
1.00
54.39
B

ATOM
1188
CD
LYS
B
28
87.799
129.632
47.611
1.00
54.80
B

ATOM
1189
CE
LYS
B
28
87.075
129.308
46.318
1.00
55.46
B

ATOM
1190
NZ
LYS
B
28
87.247
127.843
46.039
1.00
56.08
B

ATOM
1191
C
LYS
B
28
87.071
133.510
49.692
1.00
51.45
B

ATOM
1192
O
LYS
B
28
88.106
134.159
49.864
1.00
51.87
B

ATOM
1193
N
TYR
B
29
86.343
133.032
50.690
1.00
50.85
B

ATOM
1194
CA
TYR
B
29
86.742
133.184
52.093
1.00
50.45
B

ATOM
1195
CB
TYR
B
29
85.610
132.729
53.025
1.00
48.79
B

ATOM
1196
CG
TYR
B
29
85.978
132.719
54.483
1.00
47.91
B

ATOM
1197
CD1
TYR
B
29
86.271
133.903
55.149
1.00
47.78
B

ATOM
1198
CE1
TYR
B
29
86.567
133.916
56.479
1.00
46.61
B

ATOM
1199
CD2
TYR
B
29
86.008
131.529
55.214
1.00
48.00
B

ATOM
1200
CE2
TYR
B
29
86.319
131.534
56.568
1.00
47.25
B

ATOM
1201
CZ
TYR
B
29
86.587
132.734
57.191
1.00
47.12
B

ATOM
1202
OH
TYR
B
29
86.838
132.774
58.544
1.00
47.97
B

ATOM
1203
C
TYR
B
29
87.972
132.315
52.313
1.00
49.70
B

ATOM
1204
O
TYR
B
29
87.977
131.155
51.935
1.00
50.39
B

ATOM
1205
N
THR
B
30
88.996
132.877
52.931
1.00
49.00
B

ATOM
1206
CA
THR
B
30
90.253
132.158
53.153
1.00
48.82
B

ATOM
1207
CB
THR
B
30
91.465
132.984
52.637
1.00
46.51
B

ATOM
1208
OG1
THR
B
30
91.570
134.176
53.409
1.00
42.97
B

ATOM
1209
CG2
THR
B
30
91.321
133.341
51.227
1.00
42.82
B

ATOM
1210
C
THR
B
30
90.536
131.835
54.623
1.00
49.92
B

ATOM
1211
O
THR
B
30
91.538
131.175
54.930
1.00
49.12
B

ATOM
1212
N
GLY
B
31
89.653
132.304
55.514
1.00
51.53
B

ATOM
1213
CA
GLY
B
31
89.816
132.084
56.939
1.00
52.52
B

ATOM
1214
C
GLY
B
31
89.682
130.642
57.355
1.00
54.78
B

ATOM
1215
O
GLY
B
31
88.982
129.869
56.701
1.00
54.89
B

ATOM
1216
N
PHE
B
32
90.354
130.289
58.451
1.00
56.56
B

ATOM
1217
CA
PHE
B
32
90.351
128.944
59.022
1.00
58.77
B

ATOM
1218
CB
PHE
B
32
89.197
128.787
60.000
1.00
58.26
B

ATOM
1219
CG
PHE
B
32
89.142
129.861
61.036
1.00
58.23
B

ATOM
1220
CD1
PHE
B
32
88.646
131.123
60.722
1.00
57.75
B

ATOM
1221
CD2
PHE
B
32
89.610
129.621
62.324
1.00
58.16
B

ATOM
1222
CE1
PHE
B
32
88.615
132.136
61.668
1.00
57.66
B

ATOM
1223
CE2
PHE
B
32
89.585
130.627
63.286
1.00
57.32
B

ATOM
1224
CZ
PHE
B
32
89.085
131.890
62.956
1.00
57.72
B

ATOM
1225
C
PHE
B
32
90.308
127.816
57.998
1.00
60.90
B

ATOM
1226
O
PHE
B
32
89.518
126.897
58.114
1.00
61.45
B

ATOM
1227
N
ARG
B
33
91.193
127.877
57.014
1.00
63.46
B

ATOM
1228
CA
ARG
B
33
91.280
126.885
55.952
1.00
65.63
B

ATOM
1229
CB
ARG
B
33
92.428
127.290
55.025
1.00
65.57
B

ATOM
1230
CG
ARG
B
33
92.274
126.881
53.558
1.00
65.30
B

ATOM
1231
CD
ARG
B
33
92.006
128.101
52.690
1.00
65.03
B

ATOM
1232
NE
ARG
B
33
92.794
128.119
51.459
1.00
65.60
B

ATOM
1233
CZ
ARG
B
33
92.941
127.074
50.643
1.00
65.82
B

ATOM
1234
NH1
ARG
B
33
92.356
125.924
50.946
1.00
66.23
B

ATOM
1235
NH2
ARG
B
33
93.644
127.178
49.516
1.00
65.16
B

ATOM
1236
C
ARG
B
33
91.474
125.420
56.411
1.00
67.50
B

ATOM
1237
O
ARG
B
33
91.164
124.484
55.665
1.00
67.53
B

ATOM
1238
N
ASP
B
34
91.973
125.206
57.623
1.00
69.28
B

ATOM
1239
CA
ASP
B
34
92.212
123.839
58.079
1.00
71.26
B

ATOM
1240
CB
ASP
B
34
93.459
123.802
58.982
1.00
72.24
B

ATOM
1241
CG
ASP
B
34
93.415
124.843
60.120
1.00
73.41
B

ATOM
1242
OD1
ASP
B
34
92.634
125.818
60.044
1.00
73.10
B

ATOM
1243
OD2
ASP
B
34
94.191
124.702
61.096
1.00
74.15
B

ATOM
1244
C
ASP
B
34
91.046
123.140
58.773
1.00
72.25
B

ATOM
1245
O
ASP
B
34
91.014
121.915
58.836
1.00
72.40
B

ATOM
1246
N
ARG
B
35
90.087
123.918
59.273
1.00
73.27
B

ATOM
1247
CA
ARG
B
35
88.921
123.396
59.981
1.00
73.09
B

ATOM
1248
CB
ARG
B
35
88.293
124.509
60.825
1.00
74.05
B

ATOM
1249
CG
ARG
B
35
89.015
124.782
62.118
1.00
75.48
B

ATOM
1250
CD
ARG
B
35
90.516
124.834
61.880
1.00
77.31
B

ATOM
1251
NE
ARG
B
35
91.312
125.064
63.087
1.00
78.61
B

ATOM
1252
CZ
ARG
B
35
90.975
125.891
64.082
1.00
79.44
B

ATOM
1253
NH1
ARG
B
35
89.824
126.586
64.047
1.00
78.53
B

ATOM
1254
NH2
ARG
B
35
91.816
126.042
65.110
1.00
79.17
B

ATOM
1255
C
ARG
B
35
87.867
122.827
59.054
1.00
73.23
B

ATOM
1256
O
ARG
B
35
87.846
123.112
57.859
1.00
72.96
B

ATOM
1257
N
PRO
B
36
86.966
122.004
59.601
1.00
73.77
B

ATOM
1258
CD
PRO
B
36
86.892
121.556
61.004
1.00
73.93
B

ATOM
1259
CA
PRO
B
36
85.894
121.402
58.787
1.00
73.37
B

ATOM
1260
CB
PRO
B
36
85.114
120.557
59.794
1.00
73.68
B

ATOM
1261
CG
PRO
B
36
86.137
120.259
60.865
1.00
73.75
B

ATOM
1262
C
PRO
B
36
85.026
122.510
58.178
1.00
72.99
B

ATOM
1263
O
PRO
B
36
84.856
123.585
58.761
1.00
72.83
B

ATOM
1264
N
HIS
B
37
84.463
122.245
57.016
1.00
72.42
B

ATOM
1265
CA
HIS
B
37
83.658
123.246
56.370
1.00
72.25
B

ATOM
1266
CB
HIS
B
37
83.035
122.679
55.106
1.00
72.57
B

ATOM
1267
CG
HIS
B
37
82.234
123.677
54.329
1.00
73.40
B

ATOM
1268
CD2
HIS
B
37
80.898
123.788
54.125
1.00
73.84
B

ATOM
1269
ND1
HIS
B
37
82.818
124.695
53.607
1.00
73.65
B

ATOM
1270
CE1
HIS
B
37
81.878
125.384
52.982
1.00
74.35
B

ATOM
1271
NE2
HIS
B
37
80.704
124.854
53.279
1.00
74.42
B

ATOM
1272
C
HIS
B
37
82.566
123.875
57.230
1.00
72.38
B

ATOM
1273
O
HIS
B
37
82.408
125.086
57.216
1.00
72.32
B

ATOM
1274
N
GLU
B
38
81.808
123.073
57.970
1.00
72.59
B

ATOM
1275
CA
GLU
B
38
80.718
123.612
58.791
1.00
72.79
B

ATOM
1276
CB
GLU
B
38
80.045
122.499
59.596
1.00
75.04
B

ATOM
1277
CG
GLU
B
38
79.298
121.474
58.725
1.00
79.74
B

ATOM
1278
CD
GLU
B
38
80.201
120.799
57.653
1.00
81.96
B

ATOM
1279
OE1
GLU
B
38
81.283
120.238
58.024
1.00
82.49
B

ATOM
1280
OE2
GLU
B
38
79.811
120.834
56.444
1.00
82.34
B

ATOM
1281
C
GLU
B
38
81.200
124.704
59.736
1.00
71.51
B

ATOM
1282
O
GLU
B
38
80.522
125.717
59.927
1.00
70.50
B

ATOM
1283
N
GLU
B
39
82.371
124.489
60.325
1.00
69.93
B

ATOM
1284
CA
GLU
B
39
82.945
125.459
61.238
1.00
68.96
B

ATOM
1285
CB
GLU
B
39
84.214
124.873
61.877
1.00
69.44
B

ATOM
1286
CG
GLU
B
39
84.710
125.665
63.096
1.00
70.10
B

ATOM
1287
CD
GLU
B
39
86.017
125.135
63.659
1.00
70.60
B

ATOM
1288
OE1
GLU
B
39
86.138
123.897
63.776
1.00
70.28
B

ATOM
1289
OE2
GLU
B
39
86.917
125.952
63.993
1.00
70.98
B

ATOM
1290
C
GLU
B
39
83.288
126.750
60.468
1.00
67.70
B

ATOM
1291
O
GLU
B
39
82.949
127.876
60.876
1.00
65.76
B

ATOM
1292
N
ARG
B
40
83.961
126.562
59.338
1.00
66.73
B

ATOM
1293
CA
ARG
B
40
84.364
127.684
58.505
1.00
66.17
B

ATOM
1294
CB
ARG
B
40
85.014
127.180
57.206
1.00
65.76
B

ATOM
1295
CG
ARG
B
40
86.286
126.352
57.425
1.00
65.18
B

ATOM
1296
CD
ARG
B
40
87.123
126.286
56.160
1.00
65.24
B

ATOM
1297
NE
ARG
B
40
87.584
127.618
55.772
1.00
65.48
B

ATOM
1298
CZ
ARG
B
40
87.433
128.140
54.563
1.00
65.09
B

ATOM
1299
NH1
ARG
B
40
86.834
127.449
53.610
1.00
65.05
B

ATOM
1300
NH2
ARG
B
40
87.874
129.355
54.306
1.00
65.28
B

ATOM
1301
C
ARG
B
40
83.142
128.534
58.216
1.00
65.92
B

ATOM
1302
O
ARG
B
40
83.201
129.748
58.189
1.00
65.81
B

ATOM
1303
N
GLN
B
41
82.015
127.884
58.005
1.00
66.05
B

ATOM
1304
CA
GLN
B
41
80.794
128.611
57.773
1.00
65.24
B

ATOM
1305
CB
GLN
B
41
79.665
127.633
57.519
1.00
65.01
B

ATOM
1306
CG
GLN
B
41
79.474
127.283
56.081
1.00
64.85
B

ATOM
1307
CD
GLN
B
41
78.664
126.031
55.938
1.00
65.03
B

ATOM
1308
OE1
GLN
B
41
78.015
125.815
54.924
1.00
65.58
B

ATOM
1309
NE2
GLN
B
41
78.705
125.181
56.961
1.00
65.67
B

ATOM
1310
C
GLN
B
41
80.468
129.476
58.995
1.00
64.99
B

ATOM
1311
O
GLN
B
41
80.133
130.652
58.858
1.00
64.94
B

ATOM
1312
N
ALA
B
42
80.582
128.900
60.185
1.00
64.78
B

ATOM
1313
CA
ALA
B
42
80.256
129.627
61.394
1.00
65.73
B

ATOM
1314
CB
ALA
B
42
80.311
128.720
62.607
1.00
65.42
B

ATOM
1315
C
ALA
B
42
81.232
130.746
61.562
1.00
66.87
B

ATOM
1316
O
ALA
B
42
80.828
131.923
61.648
1.00
67.37
B

ATOM
1317
N
ARG
B
43
82.519
130.375
61.613
1.00
67.18
B

ATOM
1318
CA
ARG
B
43
83.628
131.329
61.772
1.00
66.69
B

ATOM
1319
CB
ARG
B
43
84.967
130.683
61.418
1.00
67.58
B

ATOM
1320
CG
ARG
B
43
85.419
129.523
62.281
1.00
67.89
B

ATOM
1321
CD
ARG
B
43
85.777
129.989
63.632
1.00
68.29
B

ATOM
1322
NE
ARG
B
43
86.375
128.923
64.431
1.00
70.19
B

ATOM
1323
CZ
ARG
B
43
86.491
128.976
65.761
1.00
70.83
B

ATOM
1324
NH1
ARG
B
43
86.040
130.042
66.433
1.00
70.87
B

ATOM
1325
NH2
ARG
B
43
87.062
127.976
66.426
1.00
71.26
B

ATOM
1326
C
ARG
B
43
83.424
132.512
60.843
1.00
66.39
B

ATOM
1327
O
ARG
B
43
83.487
133.659
61.271
1.00
66.61
B

ATOM
1328
N
PHE
B
44
83.185
132.225
59.565
1.00
65.61
B

ATOM
1329
CA
PHE
B
44
82.940
133.270
58.583
1.00
65.32
B

ATOM
1330
CB
PHE
B
44
82.441
132.695
57.264
1.00
62.26
B

ATOM
1331
CG
PHE
B
44
82.147
133.743
56.257
1.00
59.78
B

ATOM
1332
CD1
PHE
B
44
83.147
134.580
55.811
1.00
57.96
B

ATOM
1333
CD2
PHE
B
44
80.865
133.953
55.808
1.00
59.46
B

ATOM
1334
CE1
PHE
B
44
82.876
135.611
54.942
1.00
57.67
B

ATOM
1335
CE2
PHE
B
44
80.589
134.999
54.924
1.00
58.76
B

ATOM
1336
CZ
PHE
B
44
81.600
135.828
54.495
1.00
57.85
B

ATOM
1337
C
PHE
B
44
81.902
134.271
59.075
1.00
66.64
B

ATOM
1338
O
PHE
B
44
82.213
135.443
59.282
1.00
67.88
B

ATOM
1339
N
GLN
B
45
80.668
133.811
59.251
1.00
67.89
B

ATOM
1340
CA
GLN
B
45
79.579
134.675
59.725
1.00
69.10
B

ATOM
1341
CB
GLN
B
45
78.284
133.876
59.845
1.00
70.23
B

ATOM
1342
CG
GLN
B
45
77.449
133.795
58.582
1.00
70.50
B

ATOM
1343
CD
GLN
B
45
75.996
133.560
58.928
1.00
71.65
B

ATOM
1344
OE1
GLN
B
45
75.372
134.353
59.658
1.00
71.13
B

ATOM
1345
NE2
GLN
B
45
75.447
132.463
58.427
1.00
71.55
B

ATOM
1346
C
GLN
B
45
79.823
135.400
61.058
1.00
69.10
B

ATOM
1347
O
GLN
B
45
79.489
136.581
61.197
1.00
67.58
B

ATOM
1348
N
ASN
B
46
80.380
134.691
62.037
1.00
69.74
B

ATOM
1349
CA
ASN
B
46
80.658
135.312
63.331
1.00
71.25
B

ATOM
1350
CB
ASN
B
46
81.464
134.363
64.222
1.00
73.59
B

ATOM
1351
CG
ASN
B
46
80.831
132.975
64.316
1.00
76.88
B

ATOM
1352
OD1
ASN
B
46
79.593
132.836
64.502
1.00
77.54
B

ATOM
1353
ND2
ASN
B
46
81.676
131.929
64.198
1.00
77.90
B

ATOM
1354
C
ASN
B
46
81.448
136.590
63.105
1.00
70.73
B

ATOM
1355
O
ASN
B
46
81.014
137.684
63.469
1.00
70.24
B

ATOM
1356
N
ALA
B
47
82.610
136.416
62.482
1.00
70.70
B

ATOM
1357
CA
ALA
B
47
83.529
137.493
62.139
1.00
70.02
B

ATOM
1358
CB
ALA
B
47
84.748
136.912
61.449
1.00
69.09
B

ATOM
1359
C
ALA
B
47
82.871
138.553
61.245
1.00
69.89
B

ATOM
1360
O
ALA
B
47
83.159
139.744
61.362
1.00
69.01
B

ATOM
1361
N
CYS
B
48
82.005
138.135
60.335
1.00
69.97
B

ATOM
1362
CA
CYS
B
48
81.349
139.128
59.507
1.00
71.29
B

ATOM
1363
CB
CYS
B
48
80.444
138.464
58.500
1.00
70.17
B

ATOM
1364
SG
CYS
B
48
81.294
138.152
56.980
1.00
71.02
B

ATOM
1365
C
CYS
B
48
80.542
140.065
60.405
1.00
72.54
B

ATOM
1366
O
CYS
B
48
80.606
141.288
60.284
1.00
72.77
B

ATOM
1367
N
ARG
B
49
79.790
139.484
61.328
1.00
74.03
B

ATOM
1368
CA
ARG
B
49
78.998
140.282
62.233
1.00
74.97
B

ATOM
1369
CB
ARG
B
49
78.101
139.372
63.097
1.00
77.06
B

ATOM
1370
CG
ARG
B
49
76.943
138.769
62.252
1.00
80.55
B

ATOM
1371
CD
ARG
B
49
75.948
137.846
63.005
1.00
83.50
B

ATOM
1372
NE
ARG
B
49
76.391
136.448
63.122
1.00
85.65
B

ATOM
1373
CZ
ARG
B
49
76.993
135.934
64.200
1.00
86.52
B

ATOM
1374
NH1
ARG
B
49
77.233
136.702
65.269
1.00
86.57
B

ATOM
1375
NH2
ARG
B
49
77.343
134.648
64.220
1.00
85.89
B

ATOM
1376
C
ARG
B
49
79.955
141.132
63.052
1.00
74.46
B

ATOM
1377
O
ARG
B
49
79.567
142.150
63.614
1.00
75.44
B

ATOM
1378
N
ASP
B
50
81.216
140.728
63.089
1.00
73.32
B

ATOM
1379
CA
ASP
B
50
82.251
141.473
63.807
1.00
72.24
B

ATOM
1380
CB
ASP
B
50
83.353
140.523
64.255
1.00
75.07
B

ATOM
1381
CG
ASP
B
50
83.293
140.212
65.714
1.00
77.06
B

ATOM
1382
OD1
ASP
B
50
83.372
141.176
66.517
1.00
79.00
B

ATOM
1383
OD2
ASP
B
50
83.177
139.009
66.052
1.00
78.31
B

ATOM
1384
C
ASP
B
50
82.880
142.533
62.892
1.00
70.36
B

ATOM
1385
O
ASP
B
50
83.895
143.156
63.243
1.00
69.60
B

ATOM
1386
N
GLY
B
51
82.295
142.680
61.702
1.00
68.34
B

ATOM
1387
CA
GLY
B
51
82.772
143.644
60.724
1.00
65.81
B

ATOM
1388
C
GLY
B
51
84.126
143.349
60.116
1.00
63.79
B

ATOM
1389
O
GLY
B
51
84.863
144.260
59.761
1.00
64.02
B

ATOM
1390
N
ARG
B
52
84.461
142.078
59.975
1.00
61.77
B

ATOM
1391
CA
ARG
B
52
85.751
141.743
59.412
1.00
59.31
B

ATOM
1392
CB
ARG
B
52
86.807
141.805
60.510
1.00
58.80
B

ATOM
1393
CG
ARG
B
52
86.774
140.675
61.495
1.00
59.84
B

ATOM
1394
CD
ARG
B
52
87.679
140.956
62.736
1.00
61.39
B

ATOM
1395
NE
ARG
B
52
87.594
139.874
63.727
1.00
61.79
B

ATOM
1396
CZ
ARG
B
52
87.965
138.619
63.470
1.00
63.21
B

ATOM
1397
NH1
ARG
B
52
88.452
138.319
62.265
1.00
63.53
B

ATOM
1398
NH2
ARG
B
52
87.824
137.644
64.386
1.00
64.57
B

ATOM
1399
C
ARG
B
52
85.755
140.384
58.744
1.00
58.15
B

ATOM
1400
O
ARG
B
52
84.891
139.577
58.998
1.00
58.37
B

ATOM
1401
N
SER
B
53
86.708
140.149
57.851
1.00
57.38
B

ATOM
1402
CA
SER
B
53
86.832
138.873
57.182
1.00
56.09
B

ATOM
1403
CB
SER
B
53
85.583
138.564
56.387
1.00
56.89
B

ATOM
1404
OG
SER
B
53
85.766
137.336
55.726
1.00
56.69
B

ATOM
1405
C
SER
B
53
88.014
138.892
56.252
1.00
55.08
B

ATOM
1406
O
SER
B
53
88.552
139.933
55.972
1.00
54.86
B

ATOM
1407
N
GLU
B
54
88.396
137.727
55.751
1.00
55.01
B

ATOM
1408
CA
GLU
B
54
89.523
137.596
54.850
1.00
54.44
B

ATOM
1409
CB
GLU
B
54
90.560
136.695
55.464
1.00
56.77
B

ATOM
1410
CG
GLU
B
54
91.058
137.123
56.790
1.00
58.77
B

ATOM
1411
CD
GLU
B
54
91.801
135.994
57.448
1.00
62.59
B

ATOM
1412
OE1
GLU
B
54
92.231
135.035
56.719
1.00
64.59
B

ATOM
1413
OE2
GLU
B
54
91.960
136.059
58.691
1.00
63.68
B

ATOM
1414
C
GLU
B
54
89.075
136.952
53.582
1.00
53.36
B

ATOM
1415
O
GLU
B
54
88.502
135.885
53.614
1.00
53.35
B

ATOM
1416
N
ILE
B
55
89.371
137.568
52.454
1.00
53.28
B

ATOM
1417
CA
ILE
B
55
88.957
137.009
51.175
1.00
53.30
B

ATOM
1418
CB
ILE
B
55
87.693
137.688
50.687
1.00
53.70
B

ATOM
1419
CG2
ILE
B
55
87.324
137.178
49.308
1.00
55.38
B

ATOM
1420
CG1
ILE
B
55
86.539
137.321
51.625
1.00
55.46
B

ATOM
1421
CD1
ILE
B
55
85.369
138.266
51.532
1.00
57.62
B

ATOM
1422
C
ILE
B
55
90.024
137.139
50.130
1.00
52.56
B

ATOM
1423
O
ILE
B
55
90.822
138.067
50.178
1.00
53.73
B

ATOM
1424
N
ALA
B
56
90.067
136.196
49.192
1.00
50.85
B

ATOM
1425
CA
ALA
B
56
91.075
136.267
48.132
1.00
49.87
B

ATOM
1426
CB
ALA
B
56
91.952
135.004
48.157
1.00
47.31
B

ATOM
1427
C
ALA
B
56
90.437
136.420
46.759
1.00
48.94
B

ATOM
1428
O
ALA
B
56
89.374
135.866
46.516
1.00
49.06
B

ATOM
1429
N
PHE
B
57
91.043
137.197
45.872
1.00
48.08
B

ATOM
1430
CA
PHE
B
57
90.505
137.254
44.516
1.00
46.75
B

ATOM
1431
CB
PHE
B
57
90.947
138.528
43.779
1.00
46.52
B

ATOM
1432
CG
PHE
B
57
90.175
139.755
44.166
1.00
45.81
B

ATOM
1433
CD1
PHE
B
57
90.686
140.644
45.071
1.00
44.87
B

ATOM
1434
CD2
PHE
B
57
88.924
139.990
43.642
1.00
47.56
B

ATOM
1435
CE1
PHE
B
57
89.994
141.737
45.455
1.00
45.39
B

ATOM
1436
CE2
PHE
B
57
88.190
141.112
44.025
1.00
48.36
B

ATOM
1437
CZ
PHE
B
57
88.735
141.988
44.939
1.00
47.48
B

ATOM
1438
C
PHE
B
57
91.169
136.002
43.919
1.00
45.73
B

ATOM
1439
O
PHE
B
57
92.362
136.016
43.607
1.00
46.43
B

ATOM
1440
N
VAL
B
58
90.395
134.924
43.796
1.00
43.81
B

ATOM
1441
CA
VAL
B
58
90.862
133.617
43.315
1.00
42.31
B

ATOM
1442
CB
VAL
B
58
89.691
132.640
43.094
1.00
40.92
B

ATOM
1443
CG1
VAL
B
58
90.223
131.325
42.661
1.00
39.47
B

ATOM
1444
CG2
VAL
B
58
88.887
132.483
44.351
1.00
39.88
B

ATOM
1445
C
VAL
B
58
91.727
133.532
42.080
1.00
41.94
B

ATOM
1446
O
VAL
B
58
92.782
132.914
42.100
1.00
42.36
B

ATOM
1447
N
ALA
B
59
91.281
134.132
40.995
1.00
41.77
B

ATOM
1448
CA
ALA
B
59
92.062
134.037
39.804
1.00
41.12
B

ATOM
1449
CB
ALA
B
59
91.362
134.770
38.684
1.00
40.04
B

ATOM
1450
C
ALA
B
59
93.501
134.546
39.992
1.00
41.73
B

ATOM
1451
O
ALA
B
59
94.432
133.864
39.573
1.00
43.44
B

ATOM
1452
N
THR
B
60
93.708
135.699
40.628
1.00
40.47
B

ATOM
1453
CA
THR
B
60
95.063
136.217
40.737
1.00
39.15
B

ATOM
1454
CB
THR
B
60
95.106
137.774
40.755
1.00
39.73
B

ATOM
1455
OG1
THR
B
60
94.416
138.232
41.919
1.00
41.85
B

ATOM
1456
CG2
THR
B
60
94.447
138.394
39.507
1.00
39.68
B

ATOM
1457
C
THR
B
60
95.709
135.775
42.013
1.00
39.63
B

ATOM
1458
O
THR
B
60
96.947
135.839
42.178
1.00
39.60
B

ATOM
1459
N
GLY
B
61
94.890
135.338
42.955
1.00
39.04
B

ATOM
1460
CA
GLY
B
61
95.473
134.981
44.228
1.00
38.37
B

ATOM
1461
C
GLY
B
61
95.740
136.227
45.083
1.00
38.15
B

ATOM
1462
O
GLY
B
61
96.516
136.151
45.999
1.00
39.31
B

ATOM
1463
N
THR
B
62
95.113
137.372
44.814
1.00
37.86
B

ATOM
1464
CA
THR
B
62
95.368
138.548
45.648
1.00
37.63
B

ATOM
1465
CB
THR
B
62
95.044
139.867
44.944
1.00
36.89
B

ATOM
1466
OG1
THR
B
62
95.862
140.016
43.785
1.00
34.63
B

ATOM
1467
CG2
THR
B
62
95.270
141.034
45.929
1.00
33.75
B

ATOM
1468
C
THR
B
62
94.498
138.490
46.897
1.00
38.25
B

ATOM
1469
O
THR
B
62
93.252
138.604
46.789
1.00
39.19
B

ATOM
1470
N
ASN
B
63
95.143
138.335
48.059
1.00
37.15
B

ATOM
1471
CA
ASN
B
63
94.456
138.250
49.333
1.00
37.43
B

ATOM
1472
CB
ASN
B
63
95.245
137.371
50.312
1.00
39.66
B

ATOM
1473
CG
ASN
B
63
95.216
135.850
49.958
1.00
40.27
B

ATOM
1474
OD1
ASN
B
63
94.801
134.998
50.775
1.00
39.85
B

ATOM
1475
ND2
ASN
B
63
95.686
135.512
48.759
1.00
41.39
B

ATOM
1476
C
ASN
B
63
94.268
139.610
49.979
1.00
38.04
B

ATOM
1477
O
ASN
B
63
95.090
140.497
49.804
1.00
37.34
B

ATOM
1478
N
LEU
B
64
93.195
139.751
50.760
1.00
38.90
B

ATOM
1479
CA
LEU
B
64
92.867
140.997
51.479
1.00
39.07
B

ATOM
1480
CB
LEU
B
64
91.951
141.868
50.627
1.00
37.54
B

ATOM
1481
CG
LEU
B
64
92.428
142.550
49.356
1.00
36.91
B

ATOM
1482
CD1
LEU
B
64
91.227
143.286
48.726
1.00
34.87
B

ATOM
1483
CD2
LEU
B
64
93.612
143.520
49.669
1.00
34.27
B

ATOM
1484
C
LEU
B
64
92.130
140.727
52.809
1.00
39.99
B

ATOM
1485
O
LEU
B
64
91.303
139.824
52.880
1.00
39.78
B

ATOM
1486
N
SER
B
65
92.454
141.460
53.868
1.00
41.20
B

ATOM
1487
CA
SER
B
65
91.716
141.321
55.127
1.00
42.55
B

ATOM
1488
CB
SER
B
65
92.552
141.539
56.374
1.00
43.37
B

ATOM
1489
OG
SER
B
65
93.387
140.435
56.644
1.00
47.76
B

ATOM
1490
C
SER
B
65
90.854
142.539
54.953
1.00
44.25
B

ATOM
1491
O
SER
B
65
91.343
143.599
54.467
1.00
44.43
B

ATOM
1492
N
LEU
B
66
89.580
142.400
55.323
1.00
45.74
B

ATOM
1493
CA
LEU
B
66
88.603
143.470
55.181
1.00
46.14
B

ATOM
1494
CB
LEU
B
66
87.478
142.969
54.303
1.00
44.70
B

ATOM
1495
CG
LEU
B
66
88.013
142.533
52.965
1.00
45.50
B

ATOM
1496
CD1
LEU
B
66
86.890
141.905
52.144
1.00
46.47
B

ATOM
1497
CD2
LEU
B
66
88.592
143.763
52.259
1.00
44.33
B

ATOM
1498
C
LEU
B
66
88.036
143.953
56.502
1.00
47.76
B

ATOM
1499
O
LEU
B
66
87.934
143.182
57.458
1.00
47.28
B

ATOM
1500
N
GLN
B
67
87.692
145.242
56.545
1.00
50.35
B

ATOM
1501
CA
GLN
B
67
87.064
145.882
57.716
1.00
52.69
B

ATOM
1502
CB
GLN
B
67
87.922
146.982
58.285
1.00
53.61
B

ATOM
1503
CG
GLN
B
67
89.255
146.505
58.688
1.00
55.18
B

ATOM
1504
CD
GLN
B
67
89.428
146.576
60.172
1.00
56.56
B

ATOM
1505
OE1
GLN
B
67
89.432
145.525
60.858
1.00
55.32
B

ATOM
1506
NE2
GLN
B
67
89.574
147.828
60.701
1.00
55.85
B

ATOM
1507
C
GLN
B
67
85.839
146.542
57.157
1.00
53.47
B

ATOM
1508
O
GLN
B
67
85.969
147.453
56.336
1.00
53.55
B

ATOM
1509
N
PHE
B
68
84.666
146.111
57.608
1.00
54.77
B

ATOM
1510
CA
PHE
B
68
83.436
146.662
57.089
1.00
56.82
B

ATOM
1511
CB
PHE
B
68
82.409
145.565
56.946
1.00
55.19
B

ATOM
1512
CG
PHE
B
68
82.961
144.283
56.415
1.00
54.28
B

ATOM
1513
CD1
PHE
B
68
82.955
143.150
57.201
1.00
53.73
B

ATOM
1514
CD2
PHE
B
68
83.418
144.185
55.110
1.00
54.49
B

ATOM
1515
CE1
PHE
B
68
83.388
141.937
56.698
1.00
53.96
B

ATOM
1516
CE2
PHE
B
68
83.856
142.958
54.600
1.00
53.64
B

ATOM
1517
CZ
PHE
B
68
83.837
141.840
55.401
1.00
53.92
B

ATOM
1518
C
PHE
B
68
82.837
147.790
57.911
1.00
59.22
B

ATOM
1519
O
PHE
B
68
81.798
147.631
58.526
1.00
60.20
B

ATOM
1520
N
PHE
B
69
83.495
148.939
57.909
1.00
61.89
B

ATOM
1521
CA
PHE
B
69
83.030
150.118
58.629
1.00
63.64
B

ATOM
1522
CB
PHE
B
69
83.750
150.288
59.952
1.00
65.44
B

ATOM
1523
CG
PHE
B
69
83.811
149.049
60.756
1.00
67.63
B

ATOM
1524
CD1
PHE
B
69
84.854
148.152
60.584
1.00
68.53
B

ATOM
1525
CD2
PHE
B
69
82.814
148.775
61.689
1.00
69.61
B

ATOM
1526
CE1
PHE
B
69
84.919
146.983
61.337
1.00
71.40
B

ATOM
1527
CE2
PHE
B
69
82.849
147.607
62.464
1.00
71.43
B

ATOM
1528
CZ
PHE
B
69
83.911
146.699
62.291
1.00
71.82
B

ATOM
1529
C
PHE
B
69
3.446
151.239
57.733
1.00
64.01
B

ATOM
1530
O
PHE
B
69
84.230
151.045
56.819
1.00
63.52

ATOM
1531
N
PRO
B
70
82.914
152.432
57.965
1.00
65.16

ATOM
1532
CD
PRO
B
70
81.741
152.743
58.810
1.00
64.94

ATOM
1533
CA
PRO
B
70
83.298
153.567
57.109
1.00
64.95
B

ATOM
1534
CB
PRO
B
70
82.138
154.526
57.297
1.00
64.77
B

ATOM
1535
CG
PRO
B
70
81.700
154.242
58.760
1.00
64.74
B

ATOM
1536
C
PRO
B
70
84.652
154.184
57.511
1.00
64.81
B

ATOM
1537
O
PRO
B
70
85.057
154.105
58.671
1.00
64.69
B

ATOM
1538
N
THR
B
80
80.191
147.471
66.168
1.00
84.83
B

ATOM
1539
CA
THR
B
80
79.318
146.620
65.350
1.00
84.93
B

ATOM
1540
CB
THR
B
80
77.950
146.376
66.040
1.00
84.65
B

ATOM
1541
OG1
THR
B
80
78.153
145.593
67.218
1.00
84.11
B

ATOM
1542
CG2
THR
B
80
76.978
145.642
65.107
1.00
83.48
B

ATOM
1543
C
THR
B
80
79.047
147.217
63.968
1.00
85.47
B

ATOM
1544
O
THR
B
80
78.818
148.432
63.827
1.00
85.75
B

ATOM
1545
N
PRO
B
81
79.048
146.365
62.924
1.00
85.45
B

ATOM
1546
CD
PRO
B
81
79.373
144.926
62.970
1.00
85.18
B

ATOM
1547
CA
PRO
B
81
78.807
146.812
61.540
1.00
84.94
B

ATOM
1548
CB
PRO
B
81
79.214
145.596
60.705
1.00
84.96
B

ATOM
1549
CG
PRO
B
81
78.887
144.438
61.620
1.00
84.82
B

ATOM
1550
C
PRO
B
81
77.382
147.258
61.257
1.00
84.34
B

ATOM
1551
O
PRO
B
81
76.478
146.973
62.032
1.00
83.98
B

ATOM
1552
N
SER
B
82
77.206
147.960
60.139
1.00
84.06
B

ATOM
1553
CA
SER
B
82
75.904
148.463
59.713
1.00
83.91
B

ATOM
1554
CB
SER
B
82
76.026
149.895
59.202
1.00
83.67
B

ATOM
1555
OG
SER
B
82
75.178
150.126
58.088
1.00
82.17
B

ATOM
1556
C
SER
B
82
75.409
147.603
58.583
1.00
84.47
B

ATOM
1557
O
SER
B
82
76.198
146.937
57.936
1.00
85.15
B

ATOM
1558
N
ARG
B
83
74.107
147.626
58.321
1.00
84.95
B

ATOM
1559
CA
ARG
B
83
73.554
146.829
57.227
1.00
84.77
B

ATOM
1560
CB
ARG
B
83
72.015
146.940
57.198
1.00
87.07
B

ATOM
1561
CG
ARG
B
83
71.303
145.828
56.393
1.00
90.02
B

ATOM
1562
CD
ARG
B
83
71.592
144.407
56.974
1.00
92.82
B

ATOM
1563
NE
ARG
B
83
70.680
143.997
58.060
1.00
96.02
B

ATOM
1564
CZ
ARG
B
83
70.613
144.526
59.299
1.00
96.88
B

ATOM
1565
NH1
ARG
B
83
71.414
145.520
59.684
1.00
96.52
B

ATOM
1566
NH2
ARG
B
83
69.714
144.068
60.171
1.00
96.91
B

ATOM
1567
C
ARG
B
83
74.138
147.327
55.901
1.00
83.44
B

ATOM
1568
O
ARG
B
83
74.139
146.614
54.896
1.00
83.00
B

ATOM
1569
N
GLU
B
84
74.636
148.562
55.917
1.00
82.14
B

ATOM
1570
CA
GLU
B
84
75.238
149.189
54.735
1.00
80.65
B

ATOM
1571
CB
GLU
B
84
75.527
150.673
54.996
1.00
79.97
B

ATOM
1572
CG
GLU
B
84
76.099
151.392
53.777
1.00
78.95
B

ATOM
1573
CD
GLU
B
84
76.520
152.822
54.073
1.00
78.24
B

ATOM
1574
OE1
GLU
B
84
76.022
153.404
55.064
1.00
77.51
B

ATOM
1575
OE2
GLU
B
84
77.341
153.364
53.302
1.00
77.09
B

ATOM
1576
C
GLU
B
84
76.548
148.499
54.368
1.00
79.87
B

ATOM
1577
O
GLU
B
84
76.877
148.356
53.188
1.00
79.47
B

ATOM
1578
N
TYR
B
85
77.285
148.087
55.399
1.00
79.02
B

ATOM
1579
CA
TYR
B
85
78.566
147.416
55.238
1.00
78.62
B

ATOM
1580
CB
TYR
B
85
79.562
147.993
56.257
1.00
78.36
B

ATOM
1581
CG
TYR
B
85
79.995
149.391
55.866
1.00
77.49
B

ATOM
1582
CD1
TYR
B
85
79.234
150.509
56.209
1.00
76.77
B

ATOM
1583
CE1
TYR
B
85
79.554
151.759
55.735
1.00
76.30
B

ATOM
1584
CD2
TYR
B
85
81.095
149.575
55.042
1.00
76.99
B

ATOM
1585
CE2
TYR
B
85
81.420
150.819
54.560
1.00
77.32
B

ATOM
1586
CZ
TYR
B
85
80.646
151.911
54.903
1.00
77.28
B

ATOM
1587
OH
TYR
B
85
80.969
153.136
54.369
1.00
77.05
B

ATOM
1588
C
TYR
B
85
78.496
145.877
55.311
1.00
78.28
B

ATOM
1589
O
TYR
B
85
79.206
145.178
54.585
1.00
77.78
B

ATOM
1590
N
VAL
B
86
77.636
145.371
56.186
1.00
77.71
B

ATOM
1591
CA
VAL
B
86
77.416
143.939
56.349
1.00
77.57
B

ATOM
1592
CB
VAL
B
86
77.821
143.440
57.787
1.00
76.90
B

ATOM
1593
CG1
VAL
B
86
77.504
141.964
57.943
1.00
75.81
B

ATOM
1594
CG2
VAL
B
86
79.298
143.687
58.036
1.00
75.69
B

ATOM
1595
C
VAL
B
86
75.907
143.775
56.143
1.00
77.97
B

ATOM
1596
O
VAL
B
86
75.123
143.884
57.095
1.00
78.29
B

ATOM
1597
N
ASP
B
87
75.506
143.534
54.899
1.00
77.95
B

ATOM
1598
CA
ASP
B
87
74.099
143.395
54.574
1.00
78.43
B

ATOM
1599
CB
ASP
B
87
73.778
144.082
53.242
1.00
78.62
B

ATOM
1600
CG
ASP
B
87
72.269
144.203
52.987
1.00
78.59
B

ATOM
1601
OD1
ASP
B
87
71.483
143.408
53.555
1.00
78.34
B

ATOM
1602
OD2
ASP
B
87
71.868
145.092
52.211
1.00
77.85
B

ATOM
1603
C
ASP
B
87
73.639
141.959
54.495
1.00
78.79
B

ATOM
1604
O
ASP
B
87
73.973
141.244
53.559
1.00
78.80
B

ATOM
1605
N
LEU
B
88
72.828
141.553
55.461
1.00
79.63
B

ATOM
1606
CA
LEU
B
88
72.317
140.192
55.481
1.00
79.84
B

ATOM
1607
CB
LEU
B
88
72.352
139.660
56.912
1.00
80.22
B

ATOM
1608
CG
LEU
B
88
73.697
139.000
57.196
1.00
80.45
B

ATOM
1609
CD1
LEU
B
88
73.764
138.527
58.635
1.00
80.52
B

ATOM
1610
CD2
LEU
B
88
73.873
137.825
56.214
1.00
80.48
B

ATOM
1611
C
LEU
B
88
70.932
140.001
54.875
1.00
79.34
B

ATOM
1612
O
LEU
B
88
70.607
138.915
54.430
1.00
78.94
B

ATOM
1613
N
GLU
B
89
70.133
141.059
54.838
1.00
79.99
B

ATOM
1614
CA
GLU
B
89
68.772
140.987
54.287
1.00
80.96
B

ATOM
1615
CB
GLU
B
89
67.978
142.221
54.700
1.00
82.71
B

ATOM
1616
CG
GLU
B
89
68.021
142.474
56.207
1.00
86.83
B

ATOM
1617
CD
GLU
B
89
67.568
143.900
56.581
1.00
89.95
B

ATOM
1618
OE1
GLU
B
89
68.279
144.893
56.235
1.00
90.69
B

ATOM
1619
OE2
GLU
B
89
66.485
144.026
57.218
1.00
92.24
B

ATOM
1620
C
GLU
B
89
68.777
140.864
52.773
1.00
79.90
B

ATOM
1621
O
GLU
B
89
68.589
139.785
52.244
1.00
79.51
B

ATOM
1622
N
ARG
B
90
68.974
141.986
52.091
1.00
79.20
B

ATOM
1623
CA
ARG
B
90
69.049
142.058
50.629
1.00
78.20
B

ATOM
1624
CB
ARG
B
90
70.397
142.655
50.242
1.00
77.85
B

ATOM
1625
CG
ARG
B
90
70.739
142.517
48.789
1.00
77.44
B

ATOM
1626
CD
ARG
B
90
71.816
143.492
48.447
1.00
77.54
B

ATOM
1627
NE
ARG
B
90
72.170
143.393
47.043
1.00
78.26
B

ATOM
1628
CZ
ARG
B
90
72.830
144.330
46.364
1.00
78.24
B

ATOM
1629
NH1
ARG
B
90
73.206
145.447
46.972
1.00
78.82
B

ATOM
1630
NH2
ARG
B
90
73.114
144.155
45.076
1.00
77.27
B

ATOM
1631
C
ARG
B
90
68.814
140.778
49.811
1.00
78.24
B

ATOM
1632
O
ARG
B
90
68.019
140.773
48.884
1.00
78.52
B

ATOM
1633
N
GLU
B
91
69.541
139.711
50.115
1.00
77.80
B

ATOM
1634
CA
GLU
B
91
69.376
138.442
49.417
1.00
76.99
B

ATOM
1635
CB
GLU
B
91
70.272
138.413
48.182
1.00
76.08
B

ATOM
1636
CG
GLU
B
91
70.206
137.109
47.404
1.00
76.39
B

ATOM
1637
CD
GLU
B
91
70.649
137.273
45.941
1.00
77.24
B

ATOM
1638
OE1
GLU
B
91
70.824
136.232
45.246
1.00
76.76
B

ATOM
1639
OE2
GLU
B
91
70.810
138.443
45.480
1.00
76.80
B

ATOM
1640
C
GLU
B
91
69.729
137.324
50.415
1.00
77.02
B

ATOM
1641
O
GLU
B
91
70.707
137.430
51.161
1.00
77.92
B

ATOM
1642
N
ALA
B
92
68.927
136.269
50.460
1.00
76.25
B

ATOM
1643
CA
ALA
B
92
69.206
135.229
51.419
1.00
75.79
B

ATOM
1644
CB
ALA
B
92
67.910
134.556
51.849
1.00
76.04
B

ATOM
1645
C
ALA
B
92
70.179
134.221
50.853
1.00
75.43
B

ATOM
1646
O
ALA
B
92
70.267
134.037
49.631
1.00
74.54
B

ATOM
1647
N
GLY
B
93
70.914
133.581
51.759
1.00
74.87
B

ATOM
1648
CA
GLY
B
93
71.885
132.572
51.357
1.00
74.50
B

ATOM
1649
C
GLY
B
93
73.276
133.146
51.155
1.00
73.51
B

ATOM
1650
O
GLY
B
93
74.293
132.413
51.117
1.00
72.68
B

ATOM
1651
N
LYS
B
94
73.301
134.476
51.055
1.00
71.96
B

ATOM
1652
CA
LYS
B
94
74.537
135.189
50.835
1.00
70.01
B

ATOM
1653
CB
LYS
B
94
74.781
135.288
49.330
1.00
70.00
B

ATOM
1654
CG
LYS
B
94
73.587
135.746
48.535
1.00
68.65
B

ATOM
1655
CD
LYS
B
94
73.783
135.425
47.059
1.00
68.45
B

ATOM
1656
CE
LYS
B
94
74.301
136.630
46.318
1.00
69.21
B

ATOM
1657
NZ
LYS
B
94
74.275
136.491
44.838
1.00
69.89
B

ATOM
1658
C
LYS
B
94
74.577
136.570
51.482
1.00
68.04
B

ATOM
1659
O
LYS
B
94
73.560
137.224
51.645
1.00
68.14
B

ATOM
1660
N
VAL
B
95
75.778
136.993
51.854
1.00
65.82
B

ATOM
1661
CA
VAL
B
95
75.987
138.294
52.466
1.00
62.85
B

ATOM
1662
CB
VAL
B
95
76.847
138.169
53.741
1.00
61.60
B

ATOM
1663
CG1
VAL
B
95
78.243
137.813
53.372
1.00
61.63
B

ATOM
1664
CG2
VAL
B
95
76.804
139.457
54.525
1.00
61.86
B

ATOM
1665
C
VAL
B
95
76.658
139.271
51.486
1.00
61.25
B

ATOM
1666
O
VAL
B
95
77.517
138.888
50.678
1.00
61.07
B

ATOM
1667
N
TYR
B
96
76.233
140.530
51.547
1.00
59.57
B

ATOM
1668
CA
TYR
B
96
76.788
141.588
50.707
1.00
57.73
B

ATOM
1669
CB
TYR
B
96
75.683
142.416
50.117
1.00
56.69
B

ATOM
1670
CG
TYR
B
96
75.143
141.778
48.881
1.00
56.49
B

ATOM
1671
CD1
TYR
B
96
74.514
140.521
48.931
1.00
56.38
B

ATOM
1672
CE1
TYR
B
96
74.060
139.898
47.773
1.00
55.40
B

ATOM
1673
CD2
TYR
B
96
75.301
142.389
47.646
1.00
55.68
B

ATOM
1674
CE2
TYR
B
96
74.853
141.769
46.488
1.00
55.94
B

ATOM
1675
CZ
TYR
B
96
74.236
140.530
46.559
1.00
54.68
B

ATOM
1676
OH
TYR
B
96
73.825
139.946
45.402
1.00
54.94
B

ATOM
1677
C
TYR
B
96
77.663
142.447
51.585
1.00
56.91
B

ATOM
1678
O
TYR
B
96
77.205
142.944
52.611
1.00
57.12
B

ATOM
1679
N
LEU
B
97
78.923
142.611
51.186
1.00
55.19
B

ATOM
1680
CA
LEU
B
97
79.858
143.361
51.987
1.00
53.46
B

ATOM
1681
CB
LEU
B
97
80.958
142.421
52.409
1.00
52.31
B

ATOM
1682
CG
LEU
B
97
80.455
141.184
53.115
1.00
51.89
B

ATOM
1683
CD1
LEU
B
97
81.402
140.059
52.824
1.00
52.36
B

ATOM
1684
CD2
LEU
B
97
80.378
141.419
54.624
1.00
51.37
B

ATOM
1685
C
LEU
B
97
80.449
144.605
51.303
1.00
52.87
B

ATOM
1686
O
LEU
B
97
80.459
144.720
50.075
1.00
53.20
B

ATOM
1687
N
LYS
B
98
80.928
145.535
52.119
1.00
51.29
B

ATOM
1688
CA
LYS
B
98
81.538
146.756
51.634
1.00
50.23
B

ATOM
1689
CB
LYS
B
98
80.520
147.888
51.685
1.00
52.43
B

ATOM
1690
CG
LYS
B
98
80.891
149.191
50.996
1.00
54.68
B

ATOM
1691
CD
LYS
B
98
79.834
150.268
51.334
1.00
56.71
B

ATOM
1692
CE
LYS
B
98
80.195
151.593
50.646
1.00
59.89
B

ATOM
1693
NZ
LYS
B
98
79.572
152.809
51.283
1.00
62.07
B

ATOM
1694
C
LYS
B
98
82.698
147.041
52.581
1.00
48.75
B

ATOM
1695
O
LYS
B
98
82.559
146.962
53.803
1.00
47.50
B

ATOM
1696
N
ALA
B
99
83.857
147.342
52.022
1.00
47.58
B

ATOM
1697
CA
ALA
B
99
85.009
147.625
52.878
1.00
45.82
B

ATOM
1698
CB
ALA
B
99
85.726
146.322
53.248
1.00
44.60
B

ATOM
1699
C
ALA
B
99
85.985
148.617
52.271
1.00
43.74
B

ATOM
1700
O
ALA
B
99
86.642
148.357
51.273
1.00
43.86
B

ATOM
1701
N
PRO
B
100
86.066
149.792
52.861
1.00
42.35
B

ATOM
1702
CD
PRO
B
100
85.265
150.269
53.998
1.00
41.96
B

ATOM
1703
CA
PRO
B
100
86.983
150.832
52.372
1.00
41.79
B

ATOM
1704
CB
PRO
B
100
86.386
152.110
52.941
1.00
41.25
B

ATOM
1705
CG
PRO
B
100
85.894
151.643
54.275
1.00
41.77
B

ATOM
1706
C
PRO
B
100
88.388
150.591
52.930
1.00
41.19
B

ATOM
1707
O
PRO
B
100
88.529
150.079
54.065
1.00
42.13
B

ATOM
1708
N
MET
B
101
89.403
150.961
52.138
1.00
39.97
B

ATOM
1709
CA
MET
B
101
90.819
150.830
52.517
1.00
38.92
B

ATOM
1710
CB
MET
B
101
91.275
149.368
52.444
1.00
37.82
B

ATOM
1711
CG
MET
B
101
91.661
148.911
51.037
1.00
38.13
B

ATOM
1712
SD
MET
B
101
91.028
147.242
50.716
1.00
42.53
B

ATOM
1713
CE
MET
B
101
92.349
146.532
50.111
1.00
43.61
B

ATOM
1714
C
MET
B
101
91.700
151.634
51.567
1.00
38.80
B

ATOM
1715
O
MET
B
101
91.252
152.116
50.534
1.00
38.87
B

ATOM
1716
N
ILE
B
102
92.968
151.795
51.923
1.00
38.72
B

ATOM
1717
CA
ILE
B
102
93.891
152.434
51.008
1.00
37.81
B

ATOM
1718
CB
ILE
B
102
94.813
153.463
51.649
1.00
37.11
B

ATOM
1719
CG2
ILE
B
102
95.789
154.015
50.544
1.00
36.65
B

ATOM
1720
CG1
ILE
B
102
93.966
154.613
52.190
1.00
37.57
B

ATOM
1721
CD1
ILE
B
102
94.745
155.827
52.617
1.00
38.25
B

ATOM
1722
C
ILE
B
102
94.765
151.317
50.509
1.00
36.61
B

ATOM
1723
O
ILE
B
102
95.595
150.835
51.248
1.00
37.27
B

ATOM
1724
N
LEU
B
103
94.574
150.925
49.259
1.00
36.06
B

ATOM
1725
CA
LEU
B
103
95.338
149.838
48.616
1.00
36.16
B

ATOM
1726
CB
LEU
B
103
94.352
148.958
47.823
1.00
35.58
B

ATOM
1727
CG
LEU
B
103
94.844
147.783
47.003
1.00
35.65
B

ATOM
1728
CD1
LEU
B
103
95.655
146.879
47.850
1.00
36.05
B

ATOM
1729
CD2
LEU
B
103
93.639
147.040
46.463
1.00
35.38
B

ATOM
1730
C
LEU
B
103
96.489
150.338
47.707
1.00
35.57
B

ATOM
1731
O
LEU
B
103
96.246
150.959
46.681
1.00
35.97
B

ATOM
1732
N
ASN
B
104
97.731
150.066
48.085
1.00
34.28
B

ATOM
1733
CA
ASN
B
104
98.855
150.553
47.303
1.00
36.17
B

ATOM
1734
CB
ASN
B
104
98.972
149.819
45.962
1.00
34.92
B

ATOM
1735
CG
ASN
B
104
99.368
148.356
46.135
1.00
36.26
B

ATOM
1736
OD1
ASN
B
104
99.938
147.958
47.171
1.00
36.00
B

ATOM
1737
ND2
ASN
B
104
99.085
147.545
45.118
1.00
35.59
B

ATOM
1738
C
ASN
B
104
98.771
152.045
47.032
1.00
37.24
B

ATOM
1739
O
ASN
B
104
99.052
152.503
45.915
1.00
37.75
B

ATOM
1740
N
GLY
B
105
98.356
152.802
48.038
1.00
38.48
B

ATOM
1741
CA
GLY
B
105
98.288
154.237
47.864
1.00
39.80
B

ATOM
1742
C
GLY
B
105
97.085
154.809
47.160
1.00
40.39
B

ATOM
1743
O
GLY
B
105
97.089
156.005
46.841
1.00
42.15
B

ATOM
1744
N
VAL
B
106
96.058
154.021
46.890
1.00
39.73
B

ATOM
1745
CA
VAL
B
106
94.887
154.640
46.269
1.00
38.72
B

ATOM
1746
CB
VAL
B
106
94.755
154.258
44.791
1.00
39.21
B

ATOM
1747
CG1
VAL
B
106
95.858
153.323
44.404
1.00
37.97
B

ATOM
1748
CG2
VAL
B
106
93.390
153.684
44.506
1.00
38.76
B

ATOM
1749
C
VAL
B
106
93.658
154.254
47.044
1.00
38.46
B

ATOM
1750
O
VAL
B
106
93.485
153.112
47.431
1.00
38.56
B

ATOM
1751
N
CYS
B
107
92.807
155.214
47.331
1.00
39.54
B

ATOM
1752
CA
CYS
B
107
91.592
154.906
48.098
1.00
40.67
B

ATOM
1753
CB
CYS
B
107
90.937
156.201
48.584
1.00
41.28
B

ATOM
1754
SG
CYS
B
107
91.857
157.066
49.836
1.00
46.01
B

ATOM
1755
C
CYS
B
107
90.572
154.082
47.274
1.00
40.13
B

ATOM
1756
O
CYS
B
107
90.191
154.449
46.132
1.00
39.74
B

ATOM
1757
N
VAL
B
108
90.167
152.951
47.830
1.00
38.59
B

ATOM
1758
CA
VAL
B
108
89.215
152.155
47.125
1.00
40.12
B

ATOM
1759
CB
VAL
B
108
89.887
150.986
46.312
1.00
39.75
B

ATOM
1760
CG1
VAL
B
108
90.839
151.532
45.262
1.00
39.25
B

ATOM
1761
CG2
VAL
B
108
90.575
150.038
47.256
1.00
39.65
B

ATOM
1762
C
VAL
B
108
88.207
151.549
48.089
1.00
41.45
B

ATOM
1763
O
VAL
B
108
88.349
151.637
49.308
1.00
42.69
B

ATOM
1764
N
ILE
B
109
87.172
150.951
47.523
1.00
41.65
B

ATOM
1765
CA
ILE
B
109
86.190
150.283
48.299
1.00
42.07
B

ATOM
1766
CB
ILE
B
109
84.852
151.032
48.264
1.00
42.21
B

ATOM
1767
CG2
ILE
B
109
83.786
150.251
49.063
1.00
41.33
B

ATOM
1768
CG1
ILE
B
109
85.044
152.405
48.904
1.00
43.80
B

ATOM
1769
CD1
ILE
B
109
83.809
153.340
48.841
1.00
44.20
B

ATOM
1770
C
ILE
B
109
86.082
148.917
47.623
1.00
42.66
B

ATOM
1771
O
ILE
B
109
86.041
148.830
46.392
1.00
41.53
B

ATOM
1772
N
TRP
B
110
86.080
147.878
48.454
1.00
43.13
B

ATOM
1773
CA
TRP
B
110
85.970
146.497
48.043
1.00
44.85
B

ATOM
1774
CB
TRP
B
110
86.826
145.606
48.963
1.00
46.13
B

ATOM
1775
CG
TRP
B
110
86.782
144.146
48.589
1.00
47.60
B

ATOM
1776
CD2
TRP
B
110
85.778
143.173
48.949
1.00
47.94
B

ATOM
1777
CE2
TRP
B
110
86.116
141.970
48.302
1.00
47.68
B

ATOM
1778
CE3
TRP
B
110
84.635
143.210
49.745
1.00
48.96
B

ATOM
1779
CD1
TRP
B
110
87.644
143.510
47.777
1.00
47.75
B

ATOM
1780
NE1
TRP
B
110
87.262
142.210
47.595
1.00
48.55
B

ATOM
1781
CZ2
TRP
B
110
85.360
140.799
48.414
1.00
47.78
B

ATOM
1782
CZ3
TRP
B
110
83.862
142.034
49.863
1.00
50.70
B

ATOM
1783
CH2
TRP
B
110
84.241
140.839
49.191
1.00
49.96
B

ATOM
1784
C
TRP
B
110
84.487
146.153
48.252
1.00
45.98
B

ATOM
1785
O
TRP
B
110
83.956
146.305
49.351
1.00
44.90
B

ATOM
1786
N
LYS
B
111
83.839
145.688
47.198
1.00
47.27
B

ATOM
1787
CA
LYS
B
111
82.429
145.322
47.265
1.00
49.19
B

ATOM
1788
CB
LYS
B
111
81.583
146.271
46.433
1.00
51.04
B

ATOM
1789
CG
LYS
B
111
81.506
147.711
46.847
1.00
54.53
B

ATOM
1790
CD
LYS
B
111
80.629
148.412
45.785
1.00
57.93
B

ATOM
1791
CE
LYS
B
111
80.281
149.877
46.107
1.00
60.45
B

ATOM
1792
NZ
LYS
B
111
79.187
150.333
45.174
1.00
61.82
B

ATOM
1793
C
LYS
B
111
82.221
143.944
46.661
1.00
49.11
B

ATOM
1794
O
LYS
B
111
82.626
143.694
45.522
1.00
49.83
B

ATOM
1795
N
GLY
B
112
81.569
143.061
47.393
1.00
48.46
B

ATOM
1796
CA
GLY
B
112
81.322
141.749
46.854
1.00
49.50
B

ATOM
1797
C
GLY
B
112
80.326
141.033
47.705
1.00
50.70
B

ATOM
1798
O
GLY
B
112
79.905
141.551
48.741
1.00
51.73
B

ATOM
1799
N
TRP
B
113
79.935
139.846
47.263
1.00
51.49
B

ATOM
1800
CA
TRP
B
113
78.980
139.022
48.004
1.00
52.41
B

ATOM
1801
CB
TRP
B
113
77.598
138.981
47.313
1.00
51.09
B

ATOM
1802
CG
TRP
B
113
77.590
138.452
45.920
1.00
49.59
B

ATOM
1803
CD2
TRP
B
113
77.613
137.074
45.534
1.00
48.84
B

ATOM
1804
CE2
TRP
B
113
77.636
137.033
44.126
1.00
48.77
B

ATOM
1805
CE3
TRP
B
113
77.623
135.863
46.250
1.00
49.60
B

ATOM
1806
CD1
TRP
B
113
77.597
139.179
44.757
1.00
49.20
B

ATOM
1807
NE1
TRP
B
113
77.621
138.328
43.674
1.00
49.63
B

ATOM
1808
CZ2
TRP
B
113
77.674
135.832
43.414
1.00
49.30
B

ATOM
1809
CZ3
TRP
B
113
77.658
134.651
45.531
1.00
49.00
B

ATOM
1810
CH2
TRP
B
113
77.684
134.653
44.139
1.00
49.09
B

ATOM
1811
C
TRP
B
113
79.502
137.602
48.182
1.00
53.77
B

ATOM
1812
O
TRP
B
113
80.332
137.099
47.420
1.00
52.39
B

ATOM
1813
N
ILE
B
114
79.004
136.951
49.216
1.00
56.21
B

ATOM
1814
CA
ILE
B
114
79.439
135.610
49.508
1.00
58.06
B

ATOM
1815
CB
ILE
B
114
80.522
135.651
50.600
1.00
57.92
B

ATOM
1816
CG2
ILE
B
114
80.572
134.366
51.403
1.00
56.80
B

ATOM
1811
CG1
ILE
B
114
81.864
135.944
49.936
1.00
57.77
B

ATOM
1818
CD1
ILE
B
114
82.859
136.425
50.914
1.00
58.84
B

ATOM
1819
C
ILE
B
114
78.278
134.728
49.906
1.00
59.82
B

ATOM
1820
O
ILE
B
114
77.421
135.108
50.687
1.00
59.21
B

ATOM
1821
N
ASP
B
115
78.247
133.554
49.294
1.00
62.01
B

ATOM
1822
CA
ASP
B
115
77.240
132.535
49.550
1.00
64.00
B

ATOM
1823
CB
ASP
B
115
77.424
131.425
48.511
1.00
64.46
B

ATOM
1824
CG
ASP
B
115
76.533
130.197
48.749
1.00
64.55
B

ATOM
1825
OD1
ASP
B
115
76.384
129.715
49.904
1.00
63.91
B

ATOM
1826
OD2
ASP
B
115
76.010
129.694
47.729
1.00
64.87
B

ATOM
1827
C
ASP
B
115
77.548
131.991
50.952
1.00
64.47
B

ATOM
1828
O
ASP
B
115
78.569
131.328
51.133
1.00
65.31
B

ATOM
1829
N
LEU
B
116
16.678
132.235
51.928
1.00
64.86
B

ATOM
1830
CA
LEU
B
116
76.950
131.767
53.282
1.00
65.70
B

ATOM
1831
CB
LEU
B
116
75.866
132.260
54.222
1.00
65.57
B

ATOM
1832
CG
LEU
B
116
75.708
133.774
54.239
1.00
65.36
B

ATOM
1833
CD1
LEU
B
116
74.294
134.115
54.594
1.00
64.41
B

ATOM
1834
CD2
LEU
B
116
76.692
134.380
55.209
1.00
64.06
B

ATOM
1835
C
LEU
B
116
77.098
130.261
53.404
1.00
66.76
B

ATOM
1836
O
LEU
B
116
77.437
129.746
54.473
1.00
67.42
B

ATOM
1837
N
GLN
B
117
76.864
129.550
52.310
1.00
67.94
B

ATOM
1838
CA
GLN
B
117
76.989
128.101
52.334
1.00
69.00
B

ATOM
1839
CB
GLN
B
117
75.719
127.459
51.765
1.00
71.13
B

ATOM
1840
CG
GLN
B
117
75.596
125.961
52.116
1.00
74.75
B

ATOM
1841
CD
GLN
B
117
76.158
125.025
51.031
1.00
76.89
B

ATOM
1842
OE1
GLN
B
117
75.404
124.551
50.157
1.00
78.35
B

ATOM
1843
NE2
GLN
B
117
77.480
124.763
51.074
1.00
77.05
B

ATOM
1844
C
GLN
B
117
78.235
127.585
51.594
1.00
68.08
B

ATOM
1845
O
GLN
B
117
78.962
126.744
52.118
1.00
67.38
B

ATOM
1846
N
ARG
B
118
78.474
128.057
50.372
1.00
67.46
B

ATOM
1847
CA
ARG
B
118
79.676
127.631
49.640
1.00
66.55
B

ATOM
1848
CB
ARG
B
118
79.524
127.912
48.148
1.00
66.70
B

ATOM
1849
CG
ARG
B
118
78.148
127.671
47.582
1.00
67.77
B

ATOM
1850
CD
ARG
B
118
78.197
127.942
46.085
1.00
68.99
B

ATOM
1851
NE
ARG
B
118
79.289
127.151
45.535
1.00
71.45
B

ATOM
1852
CZ
ARG
B
118
79.680
127.143
44.260
1.00
73.49
B

ATOM
1853
NH1
ARG
B
118
79.057
127.901
43.357
1.00
73.34
B

ATOM
1854
NH2
ARG
B
118
80.718
126.374
43.888
1.00
73.72
B

ATOM
1855
C
ARG
B
118
80.935
128.401
50.184
1.00
65.39
B

ATOM
1856
O
ARG
B
118
82.065
127.885
50.188
1.00
65.15
B

ATOM
1857
N
LEU
B
119
80.720
129.624
50.666
1.00
62.91
B

ATOM
1858
CA
LEU
B
119
81.795
130.443
51.177
1.00
60.48
B

ATOM
1859
CB
LEU
B
119
82.643
129.622
52.147
1.00
59.64
B

ATOM
1860
CG
LEU
B
119
81.924
129.406
53.477
1.00
59.86
B

ATOM
1861
CD1
LEU
B
119
82.858
128.733
54.459
1.00
59.89
B

ATOM
1862
CD2
LEU
B
119
81.451
130.749
54.050
1.00
58.97
B

ATOM
1863
C
LEU
B
119
82.657
131.074
50.068
1.00
59.46
B

ATOM
1864
O
LEU
B
119
93.798
131.423
50.300
1.00
59.42
B

ATOM
1865
N
ASP
B
120
82.108
131.199
48.862
1.00
58.51
B

ATOM
1866
CA
ASP
B
120
82.800
131.834
47.730
1.00
58.11
B

ATOM
1867
CB
ASP
B
120
83.237
130.796
46.696
1.00
58.13
B

ATOM
1868
CG
ASP
B
120
82.076
130.065
46.048
1.00
58.80
B

ATOM
1869
OD1
ASP
B
120
80.895
130.293
46.409
1.00
59.60
B

ATOM
1870
OD2
ASP
B
120
82.354
129.241
45.157
1.00
58.20
B

ATOM
1871
C
ASP
B
120
81.848
132.861
47.088
1.00
58.01
B

ATOM
1872
O
ASP
B
120
80.714
133.033
47.555
1.00
58.16
B

ATOM
1873
N
GLY
B
121
82.277
133.557
46.043
1.00
56.92
B

ATOM
1874
CA
GLY
B
121
81.367
134.517
45.465
1.00
56.31
B

ATOM
1875
C
GLY
B
121
81.911
135.377
44.356
1.00
56.34
B

ATOM
1876
O
GLY
B
121
82.574
134.903
43.442
1.00
56.37
B

ATOM
1877
N
MET
B
122
81.567
136.655
44.412
1.00
56.20
B

ATOM
1878
CA
MET
B
122
82.011
137.633
43.424
1.00
55.62
B

ATOM
1879
CB
MET
B
122
80.975
137.817
42.314
1.00
54.51
B

ATOM
1880
CG
MET
B
122
80.648
136.518
41.551
1.00
54.38
B

ATOM
1881
SD
MET
B
122
82.057
135.772
40.582
1.00
53.79
B

ATOM
1882
CE
MET
B
122
81.878
136.724
39.036
1.00
53.41
B

ATOM
1883
C
MET
B
122
82.242
138.965
44.115
1.00
55.44
B

ATOM
1884
O
MET
B
122
81.578
139.328
45.105
1.00
55.00
B

ATOM
1885
N
GLY
B
123
83.196
139.703
43.581
1.00
54.81
B

ATOM
1886
CA
GLY
B
123
83.519
140.987
44.168
1.00
53.07
B

ATOM
1887
C
GLY
B
123
84.509
141.712
43.307
1.00
51.73
B

ATOM
1888
O
GLY
B
123
85.087
141.157
42.368
1.00
51.04
B

ATOM
1889
N
CYS
B
124
84.713
142.971
43.624
1.00
50.71
B

ATOM
1890
CA
CYS
B
124
85.629
143.730
42.835
1.00
50.39
B

ATOM
1891
CB
CYS
B
124
84.955
144.175
41.543
1.00
52.10
B

ATOM
1892
SG
CYS
B
124
83.623
145.344
41.845
1.00
54.77
B

ATOM
1893
C
CYS
B
124
86.035
144.915
43.624
1.00
49.39
B

ATOM
1894
O
CYS
B
124
85.544
145.155
44.713
1.00
49.67
B

ATOM
1895
N
LEU
B
125
86.928
145.680
43.038
1.00
49.76
B

ATOM
1896
CA
LEU
B
125
87.463
146.856
43.674
1.00
49.91
B

ATOM
1897
CB
LEU
B
125
88.986
146.885
43.459
1.00
47.74
B

ATOM
1898
CG
LEU
B
125
89.899
146.713
44.664
1.00
47.66
B

ATOM
1899
CD1
LEU
B
125
89.335
145.662
45.626
1.00
45.69
B

ATOM
1900
CD2
LEU
B
125
91.296
146.367
44.177
1.00
45.44
B

ATOM
1901
C
LEU
B
125
86.786
147.996
42.970
1.00
50.57
B

ATOM
1902
O
LEU
B
125
86.539
147.908
41.784
1.00
51.14
B

ATOM
1903
N
GLU
B
126
86.476
149.051
43.713
1.00
51.74
B

ATOM
1904
CA
GLU
B
126
85.836
150.259
43.183
1.00
52.16
B

ATOM
1905
CB
GLU
B
126
84.434
150.336
43.738
1.00
52.81
B

ATOM
1906
CG
GLU
B
126
83.394
150.756
42.770
1.00
56.52
B

ATOM
1907
CD
GLU
B
126
82.035
150.804
43.422
1.00
59.48
B

ATOM
1908
OE1
GLU
B
126
81.908
151.609
44.380
1.00
60.69
B

ATOM
1909
OE2
GLU
B
126
81.109
150.052
42.993
1.00
59.66
B

ATOM
1910
C
GLU
B
126
86.631
151.513
43.627
1.00
52.15
B

ATOM
1911
O
GLU
B
126
87.000
151.651
44.787
1.00
51.08
B

ATOM
1912
N
PHE
B
127
86.911
152.427
42.715
1.00
52.43
B

ATOM
1913
CA
PHE
B
127
87.669
153.619
43.114
1.00
52.71
B

ATOM
1914
CB
PHE
B
127
88.017
154.523
41.913
1.00
51.92
B

ATOM
1915
CG
PHE
B
127
88.797
155.744
42.290
1.00
52.10
B

ATOM
1916
CD1
PHE
B
127
90.066
155.640
42.847
1.00
52.50
B

ATOM
1917
CD2
PHE
B
127
88.309
157.013
42.016
1.00
52.93
B

ATOM
1918
CE1
PHE
B
127
90.851
156.788
43.110
1.00
52.64
B

ATOM
1919
CE2
PHE
B
127
89.090
158.177
42.282
1.00
53.06
B

ATOM
1920
CZ
PHE
B
127
90.360
158.053
42.823
1.00
52.57
B

ATOM
1921
C
PHE
B
127
86.828
154.418
44.049
1.00
52.37
B

ATOM
1922
O
PHE
B
127
85.698
154.707
43.720
1.00
52.87
B

ATOM
1923
N
ASP
B
128
87.360
154.802
45.199
1.00
52.71
B

ATOM
1924
CA
ASP
B
128
86.576
155.595
46.150
1.00
53.37
B

ATOM
1925
CB
ASP
B
128
86.862
155.090
47.560
1.00
53.50
B

ATOM
1926
CG
ASP
B
128
86.042
155.816
48.615
1.00
52.97
B

ATOM
1927
OD1
ASP
B
128
85.537
156.922
48.303
1.00
53.84
B

ATOM
1928
OD2
ASP
B
128
85.915
155.280
49.741
1.00
51.55
B

ATOM
1929
C
ASP
B
128
86.950
157.080
46.046
1.00
54.64
B

ATOM
1930
O
ASP
B
128
87.715
157.608
46.865
1.00
53.70
B

ATOM
1931
N
GLU
B
129
86.412
157.791
45.073
1.00
57.08
B

ATOM
1932
CA
GLU
B
129
86.834
159.188
44.920
1.00
59.54
B

ATOM
1933
CB
GLU
B
129
86.297
159.743
43.622
1.00
61.77
B

ATOM
1934
CG
GLU
B
129
85.280
160.805
43.799
1.00
66.59
B

ATOM
1935
CD
GLU
B
129
84.815
161.285
42.455
1.00
70.37
B

ATOM
1936
OE1
GLU
B
129
83.720
161.949
42.387
1.00
72.00
B

ATOM
1937
OE2
GLU
B
129
85.572
160.978
41.466
1.00
71.39
B

ATOM
1938
C
GLU
B
129
86.546
160.173
46.056
1.00
59.43
B

ATOM
1939
O
GLU
B
129
87.289
161.154
46.247
1.00
58.28
B

ATOM
1940
N
GLU
B
130
85.467
159.950
46.796
1.00
59.34
B

ATOM
1941
CA
GLU
B
130
85.221
160.855
47.889
1.00
60.50
B

ATOM
1942
CB
GLU
B
130
83.984
160.445
48.642
1.00
61.68
B

ATOM
1943
CG
GLU
B
130
83.358
161.613
49.361
1.00
65.38
B

ATOM
1944
CD
GLU
B
130
82.721
161.209
50.713
1.00
68.30
B

ATOM
1945
OE1
GLU
B
130
83.413
161.428
51.759
1.00
68.99
B

ATOM
1946
OE2
GLU
B
130
81.551
160.664
50.727
1.00
69.49
B

ATOM
1947
C
GLU
B
130
86.462
160.786
48.814
1.00
60.71
B

ATOM
1948
O
GLU
B
130
87.159
161.782
48.984
1.00
61.04
B

ATOM
1949
N
ARG
B
131
86.740
159.606
49.385
1.00
60.41
B

ATOM
1950
CA
ARG
B
131
87.897
159.383
50.260
1.00
59.68
B

ATOM
1951
CB
ARG
B
131
88.117
157.898
50.521
1.00
60.38
B

ATOM
1952
CG
ARG
B
131
87.133
157.231
51.402
1.00
62.32
B

ATOM
1953
CD
ARG
B
131
87.309
157.702
52.770
1.00
65.35
B

ATOM
1954
NE
ARG
B
131
88.680
157.491
53.227
1.00
69.78
B

ATOM
1955
CZ
ARG
B
131
89.136
157.823
54.450
1.00
71.27
B

ATOM
1956
NH1
ARG
B
131
88.321
158.393
55.368
1.00
71.32
B

ATOM
1957
NH2
ARG
B
131
90.414
157.585
54.757
1.00
71.12
B

ATOM
1958
C
ARG
B
131
89.190
159.891
49.655
1.00
59.27
B

ATOM
1959
O
ARG
B
131
90.020
160.472
50.342
1.00
58.93
B

ATOM
1960
N
ALA
B
132
89.378
159.646
48.369
1.00
58.40
B

ATOM
1961
CA
ALA
B
132
90.611
160.057
47.755
1.00
58.76
B

ATOM
1962
CB
ALA
B
132
90.600
159.691
46.310
1.00
58.45
B

ATOM
1963
C
ALA
B
132
90.867
161.530
47.907
1.00
59.46
B

ATOM
1964
O
ALA
B
132
91.963
161.966
48.276
1.00
59.19
B

ATOM
1965
N
GLN
B
133
89.840
162.309
47.616
1.00
61.39
B

ATOM
1966
CA
GLN
B
133
89.965
163.761
47.662
1.00
62.64
B

ATOM
1967
CB
GLN
B
133
88.729
164.430
47.054
1.00
63.07
B

ATOM
1968
CG
GLN
B
133
88.633
164.196
45.572
1.00
64.53
B

ATOM
1969
CD
GLN
B
133
87.307
164.609
45.000
1.00
66.27
B

ATOM
1970
OE1
GLN
B
133
87.107
164.597
43.767
1.00
66.89
B

ATOM
1971
NE2
GLN
B
133
86.372
164.975
45.882
1.00
66.94
B

ATOM
1972
C
GLN
B
133
90.199
164.230
49.063
1.00
63.23
B

ATOM
1973
O
GLN
B
133
90.787
165.276
49.274
1.00
64.09
B

ATOM
1974
N
GLN
B
134
89.760
163.472
50.041
1.00
63.35
B

ATOM
1975
CA
GLN
B
134
90.019
163.949
51.359
1.00
64.37
B

ATOM
1976
CB
GLN
B
134
89.087
163.307
52.354
1.00
66.27
B

ATOM
1977
CG
GLN
B
134
87.621
163.532
52.051
1.00
69.95
B

ATOM
1978
CD
GLN
B
134
86.733
162.479
52.724
1.00
72.36
B

ATOM
1979
OE1
GLN
B
134
86.822
161.274
52.429
1.00
73.33
B

ATOM
1980
NE2
GLN
B
134
85.876
162.930
53.634
1.00
73.84
B

ATOM
1981
C
GLN
B
134
91.443
163.644
51.739
1.00
64.62
B

ATOM
1982
O
GLN
B
134
91.934
164.220
52.691
1.00
65.38
B

ATOM
1983
N
GLN
B
135
92.127
162.769
50.997
1.00
64.52
B

ATOM
1984
CA
GLN
B
135
93.507
162.374
51.353
1.00
64.18
B

ATOM
1985
CB
GLN
B
135
93.870
161.012
50.724
1.00
62.79
B

ATOM
1986
CG
GLU
B
135
93.416
159.752
51.506
1.00
60.42
B

ATOM
1987
CD
GLU
B
135
93.896
159.723
52.966
1.00
58.12
B

ATOM
1988
OE1
GLU
B
135
95.042
160.126
53.240
1.00
55.61
B

ATOM
1989
OE2
GLU
B
135
93.122
159.284
53.840
1.00
56.74
B

ATOM
1990
C
GLU
B
135
94.658
163.339
51.078
1.00
65.07
B

ATOM
1991
O
GLU
B
135
94.533
164.260
50.248
1.00
65.69
B

ATOM
1992
OXT
GLU
B
135
95.713
163.127
51.701
1.00
65.59
B

ATOM
1993
CB
ALA
C
54
31.509
107.021
95.339
0.00
78.16
C

ATOM
1994
C
ALA
C
54
29.299
106.939
94.157
0.00
78.20
C

ATOM
1995
O
ALA
C
54
28.414
106.423
93.487
0.00
78.20
C

ATOM
1996
N
ALA
C
54
30.800
104.980
94.133
0.00
78.16
C

ATOM
1997
CA
ALA
C
54
30.322
106.132
94.937
0.00
78.18
C

ATOM
1998
N
ALA
C
55
30.062
108.611
93.534
0.00
81.07
C

ATOM
1999
CA
ALA
C
55
29.060
109.320
92.771
0.00
81.37
C

ATOM
2000
CB
ALA
C
55
28.947
110.729
93.296
0.00
81.05
C

ATOM
2001
C
ALA
C
55
29.484
109.327
91.313
0.00
81.69
C

ATOM
2002
O
ALA
C
55
28.662
109.166
90.413
0.00
81.59
C

ATOM
2003
N
ALA
C
56
30.783
109.495
91.095
1.00
82.56
C

ATOM
2004
CA
ALA
C
56
31.343
109.551
89.735
1.00
83.07
C

ATOM
2005
CB
ALA
C
56
31.009
108.222
88.986
1.00
82.24
C

ATOM
2006
C
ALA
C
56
30.788
110.800
88.967
1.00
82.90
C

ATOM
2007
O
ALA
C
56
29.566
110.863
88.693
1.00
83.47
C

ATOM
2008
N
ALA
C
57
31.674
111.775
88.650
1.00
82.16
C

ATOM
2009
CA
ALA
C
57
31.287
113.024
87.944
1.00
81.05
C

ATOM
2010
CB
ALA
C
57
29.793
113.385
88.290
1.00
81.36
C

ATOM
2011
C
ALA
C
57
32.136
114.308
88.153
1.00
79.87
C

ATOM
2012
O
ALA
C
57
31.737
115.123
89.021
1.00
80.05
C

ATOM
2013
N
HIS
C
58
33.212
114.552
87.366
1.00
77.39
C

ATOM
2014
CA
HIS
C
58
34.019
115.791
87.582
1.00
74.53
C

ATOM
2015
CB
HIS
C
58
35.025
115.550
88.737
1.00
76.62
C

ATOM
2016
CG
HIS
C
58
36.435
115.207
88.288
1.00
80.21
C

ATOM
2017
CD2
HIS
C
58
37.195
114.098
88.501
1.00
80.47
C

ATOM
2018
ND1
HIS
C
58
37.250
116.096
87.595
1.00
80.57
C

ATOM
2019
CE1
HIS
C
58
38.444
115.552
87.412
1.00
80.21
C

ATOM
2020
NE2
HIS
C
58
38.440
114.343
87.950
1.00
80.90
C

ATOM
2021
C
HIS
C
58
34.777
116.579
86.461
1.00
71.07
C

ATOM
2022
O
HIS
C
58
35.011
117.792
86.622
1.00
71.47
C

ATOM
2023
N
PRO
C
59
35.208
115.920
85.350
1.00
67.00
C

ATOM
2024
CD
PRO
C
59
35.016
114.514
84.965
1.00
65.55
C

ATOM
2025
CA
PRO
C
59
35.928
116.624
84.280
1.00
63.29
C

ATOM
2026
CB
PRO
C
59
35.960
115.604
83.163
1.00
62.60
C

ATOM
2027
CG
PRO
C
59
36.026
114.375
83.869
1.00
63.84
C

ATOM
2028
C
PRO
C
59
35.302
117.937
83.807
1.00
60.69
C

ATOM
2029
O
PRO
C
59
36.038
118.880
83.512
1.00
60.29
C

ATOM
2030
N
GLY
C
60
33.967
117.977
83.711
1.00
57.36
C

ATOM
2031
CA
GLY
C
60
33.282
119.169
83.258
1.00
53.47
C

ATOM
2032
C
GLY
C
60
33.142
119.294
81.743
1.00
51.27
C

ATOM
2033
O
GLY
C
60
33.157
118.310
81.031
1.00
50.03
C

ATOM
2034
N
GLU
C
61
33.035
120.540
81.275
1.00
50.14
C

ATOM
2035
CA
GLU
C
61
32.852
120.918
79.877
1.00
47.89
C

ATOM
2036
CB
GLU
C
61
32.306
122.305
79.885
1.00
49.94
C

ATOM
2037
CG
GLU
C
61
32.318
122.897
78.557
1.00
55.41
C

ATOM
2038
CD
GLU
C
61
30.970
122.922
77.961
1.00
57.71
C

ATOM
2039
OE1
GLU
C
61
30.471
121.838
77.565
1.00
58.70
C

ATOM
2040
OE2
GLU
C
61
30.424
124.046
77.905
1.00
59.70
C

ATOM
2041
C
GLU
C
61
34.135
120.872
79.056
1.00
45.48
C

ATOM
2042
O
GLU
C
61
34.937
121.808
79.097
1.00
45.67
C

ATOM
2043
N
LEU
C
62
34.308
119.825
78.252
1.00
42.60
C

ATOM
2044
CA
LEU
C
62
35.582
119.632
77.528
1.00
38.99
C

ATOM
2045
CB
LEU
C
62
36.158
118.250
77.832
1.00
37.06
C

ATOM
2046
CG
LEU
C
62
36.306
117.825
79.296
1.00
36.72
C

ATOM
2047
CD1
LEU
C
62
36.729
116.356
79.439
1.00
36.32
C

ATOM
2048
CD2
LEU
C
62
37.334
118.750
79.945
1.00
36.02
C

ATOM
2049
C
LEU
C
62
35.519
119.740
76.046
1.00
38.45
C

ATOM
2050
O
LEU
C
62
34.498
119.420
75.451
1.00
39.35
C

ATOM
2051
N
VAL
C
63
36.623
120.166
75.443
1.00
36.28
C

ATOM
2052
CA
VAL
C
63
36.727
120.247
73.978
1.00
33.69
C

ATOM
2053
CB
VAL
C
63
36.810
121.707
73.496
1.00
32.02
C

ATOM
2054
CG1
VAL
C
63
35.550
122.350
73.826
1.00
32.48
C

ATOM
2055
CG2
VAL
C
63
37.939
122.441
74.147
1.00
30.77
C

ATOM
2056
C
VAL
C
63
37.960
119.455
73.513
1.00
32.66
C

ATOM
2057
O
VAL
C
63
38.876
119.227
74.292
1.00
33.76
C

ATOM
2058
N
ARG
C
64
37.974
118.966
72.281
1.00
31.73
C

ATOM
2059
CA
ARG
C
64
39.162
118.237
71.836
1.00
31.92
C

ATOM
2060
CB
ARG
C
64
38.900
117.444
70.521
1.00
30.66
C

ATOM
2061
CG
ARG
C
64
37.607
116.620
70.483
1.00
33.82
C

ATOM
2062
CD
ARG
C
64
37.519
115.457
69.432
1.00
32.94
C

ATOM
2063
NE
ARG
C
64
38.626
114.563
69.712
1.00
35.16
C

ATOM
2064
CZ
ARG
C
64
38.585
113.237
69.748
1.00
34.47
C

ATOM
2065
NH1
ARG
C
64
37.436
112.578
69.507
1.00
32.41
C

ATOM
2066
NH2
ARG
C
64
39.743
112.580
70.006
1.00
34.13
C

ATOM
2067
C
ARG
C
64
40.263
119.291
71.585
1.00
32.21
C

ATOM
2068
O
ARG
C
64
39.939
120.403
71.103
1.00
32.87
C

ATOM
2069
N
THR
C
65
41.528
118.983
71.907
1.00
31.54
C

ATOM
2070
CA
THR
C
65
42.652
119.908
71.648
1.00
32.05
C

ATOM
2071
CB
THR
C
65
43.821
119.681
72.604
1.00
31.98
C

ATOM
2072
OG1
THR
C
65
44.454
118.425
72.284
1.00
32.02
C

ATOM
2073
CG2
THR
C
65
43.349
119.654
74.018
1.00
30.75
C

ATOM
2074
C
THR
C
65
43.169
119.535
70.261
1.00
32.29
C

ATOM
2075
O
THR
C
65
42.634
118.614
69.670
1.00
32.59
C

ATOM
2076
N
ASP
C
66
44.179
120.231
69.732
1.00
32.65
C

ATOM
2077
CA
ASP
C
66
44.750
119.818
68.431
1.00
32.97
C

ATOM
2078
CB
ASP
C
66
45.731
220.864
67.880
1.00
33.66
C

ATOM
2079
CG
ASP
C
66
45.077
122.219
67.724
1.00
36.22
C

ATOM
2080
OD1
ASP
C
66
43.830
122.226
67.480
1.00
37.77
C

ATOM
2081
OD2
ASP
C
66
45.797
123.258
67.856
1.00
33.68
C

ATOM
2082
C
ASP
C
66
45.506
118.463
68.532
1.00
32.11
C

ATOM
2083
O
ASP
C
66
46.089
117.975
67.553
1.00
32.41
C

ATOM
2084
N
SER
C
67
45.534
117.861
69.702
1.00
30.28
C

ATOM
2085
CA
SER
C
67
46.226
116.615
69.784
1.00
29.91
C

ATOM
2086
CB
SER
C
67
47.160
116.620
70.972
1.00
29.65
C

ATOM
2087
OG
SER
C
67
47.347
115.297
71.438
1.00
27.11
C

ATOM
2088
C
SER
C
67
45.171
115.542
69.973
1.00
30.94
C

ATOM
2089
O
SER
C
67
44.142
115.767
70.585
1.00
30.50
C

ATOM
2090
N
PRO
C
68
45.414
114.355
69.436
1.00
30.65
C

ATOM
2091
CD
PRO
C
68
46.460
114.138
68.427
1.00
30.13
C

ATOM
2092
CA
PRO
C
68
44.496
113.206
69.530
1.00
29.30
C

ATOM
2093
CB
PRO
C
68
44.919
112.320
68.369
1.00
28.56
C

ATOM
2094
CG
PRO
C
68
46.419
112.611
68.259
1.00
29.48
C

ATOM
2095
C
PRO
C
68
44.610
112.488
70.855
1.00
28.82
C

ATOM
2096
O
PRO
C
68
43.973
111.482
71.096
1.00
30.03
C

ATOM
2097
N
ASN
C
69
45.462
112.977
71.717
1.00
27.74
C

ATOM
2098
CA
ASN
C
69
45.589
112.323
73.025
1.00
27.54
C

ATOM
2099
CB
ASN
C
69
47.042
111.914
73.242
1.00
27.65
C

ATOM
2100
CG
ASN
C
69
47.158
110.661
74.057
1.00
30.52
C

ATOM
2101
OD1
ASN
C
69
46.236
109.844
74.064
1.00
30.86
C

ATOM
2102
ND2
ASN
C
69
48.301
110.472
74.731
1.00
31.95
C

ATOM
2103
C
ASN
C
69
45.119
113.212
74.208
1.00
26.77
C

ATOM
2104
O
ASN
C
69
45.305
112.845
75.336
1.00
24.81
C

ATOM
2105
N
PHE
C
70
44.528
114.383
73.925
1.00
27.89
C

ATOM
2106
CA
PHE
C
70
44.113
115.264
74.987
1.00
27.73
C

ATOM
2107
CB
PHE
C
70
45.245
116.239
75.342
1.00
26.91
C

ATOM
2108
CG
PHE
C
70
46.521
115.569
75.715
1.00
24.40
C

ATOM
2109
CD1
PHE
C
70
47.444
115.311
74.769
1.00
21.53
C

ATOM
2110
CD2
PHE
C
70
46.740
115.119
77.033
1.00
27.10
C

ATOM
2111
CE1
PHE
C
70
48.588
114.602
75.086
1.00
25.09
C

ATOM
2112
CE2
PHE
C
70
47.875
114.408
77.392
1.00
24.83
C

ATOM
2113
CZ
PHE
C
70
48.801
114.146
76.411
1.00
27.28
C

ATOM
2114
C
PHE
C
70
42.863
116.071
74.709
1.00
28.85
C

ATOM
2115
O
PHE
C
70
42.588
116.461
73.582
1.00
26.99
C

ATOM
2116
N
LEU
C
71
42.118
116.318
75.782
1.00
28.58
C

ATOM
2117
CA
LEU
C
71
40.959
117.162
75.732
1.00
28.71
C

ATOM
2118
CB
LEU
C
71
39.731
116.395
76.162
1.00
28.45
C

ATOM
2119
CG
LEU
C
71
39.367
115.092
75.456
1.00
29.25
C

ATOM
2120
CD1
LEU
C
71
38.046
114.603
76.056
1.00
27.89
C

ATOM
2121
CD2
LEU
C
71
39.225
115.301
73.938
1.00
27.22
C

ATOM
2122
C
LEU
C
71
41.272
118.232
76.807
1.00
30.35
C

ATOM
2123
O
LEU
C
71
42.115
118.021
77.681
1.00
30.67
C

ATOM
2124
N
CYS
C
72
40.627
119.391
76.748
1.00
31.16
C

ATOM
2125
CA
CYS
C
72
40.843
120.360
77.803
1.00
31.13
C

ATOM
2126
CB
CYS
C
72
42.019
121.276
77.429
1.00
29.58
C

ATOM
2127
SG
CYS
C
72
41.622
122.461
76.187
1.00
30.68
C

ATOM
2128
C
CYS
C
72
39.504
121.113
78.038
1.00
31.15
C

ATOM
2129
O
CYS
C
72
38.597
121.030
77.235
1.00
29.67
C

ATOM
2130
N
SER
C
73
39.397
121.801
79.163
1.00
32.66
C

ATOM
2131
CA
SER
C
73
38.186
122.551
79.535
1.00
33.86
C

ATOM
2132
CB
SER
C
73
38.349
123.261
80.901
1.00
34.85
C

ATOM
2133
OG
SER
C
73
38.996
122.441
81.888
1.00
38.83
C

ATOM
2134
C
SER
C
73
37.967
123.634
78.542
1.00
33.58
C

ATOM
2135
O
SER
C
73
38.910
124.109
77.910
1.00
33.11
C

ATOM
2136
N
VAL
C
74
36.728
124.059
78.463
1.00
33.20
C

ATOM
2137
CA
VAL
C
74
36.343
125.136
77.574
1.00
34.27
C

ATOM
2138
CB
VAL
C
74
34.828
125.039
77.341
1.00
37.14
C

ATOM
2139
CG1
VAL
C
74
34.293
126.251
76.628
1.00
37.21
C

ATOM
2140
CG2
VAL
C
74
34.556
123.782
76.538
1.00
39.64
C

ATOM
2141
C
VAL
C
74
36.687
126.443
78.291
1.00
32.50
C

ATOM
2142
O
VAL
C
74
36.436
126.593
79.460
1.00
34.41
C

ATOM
2143
N
LEU
C
75
37.247
127.398
77.597
1.00
30.48
C

ATOM
2144
CA
LEU
C
75
37.622
128.656
78.210
1.00
28.97
C

ATOM
2145
CB
LEU
C
75
39.036
129.036
77.774
1.00
26.73
C

ATOM
2146
CG
LEU
C
75
40.160
128.283
78.450
1.00
27.30
C

ATOM
2147
CD1
LEU
C
75
41.464
128.495
77.697
1.00
22.74
C

ATOM
2148
CD2
LEU
C
75
40.224
128.711
79.945
1.00
24.85
C

ATOM
2149
C
LEU
C
75
36.695
129.769
77.735
1.00
29.29
C

ATOM
2150
O
LEU
C
75
36.094
129.692
76.699
1.00
27.59
C

ATOM
2151
N
PRO
C
76
36.605
130.847
78.495
1.00
30.69
C

ATOM
2152
CD
PRO
C
76
37.366
131.186
79.698
1.00
31.44
C

ATOM
2153
CA
PRO
C
76
35.743
131.950
78.084
1.00
31.44
C

ATOM
2154
CB
PRO
C
76
35.901
132.978
79.196
1.00
30.76
C

ATOM
2155
CG
PRO
C
76
36.463
132.232
80.317
1.00
32.73
C

ATOM
2156
C
PRO
C
76
36.355
132.489
76.825
1.00
32.85
C

ATOM
2157
O
PRO
C
76
37.575
132.447
76.649
1.00
34.16
C

ATOM
2158
N
THR
C
77
35.535
133.051
75.958
1.00
33.52
C

ATOM
2159
CA
THR
C
77
36.066
133.594
74.703
1.00
33.22
C

ATOM
2160
CB
THR
C
77
34.901
134.010
73.762
1.00
33.73
C

ATOM
2161
OG1
THR
C
77
34.470
132.842
73.063
1.00
35.39
C

ATOM
2162
CG2
THR
C
77
35.341
135.011
72.758
1.00
34.82
C

ATOM
2163
C
THR
C
77
36.961
134.781
74.903
1.00
31.52
C

ATOM
2164
O
THR
C
77
37.970
134.918
74.232
1.00
31.18
C

ATOM
2165
N
HIS
C
78
36.523
135.641
75.814
1.00
30.38
C

ATOM
2166
CA
HIS
C
78
37.175
136.878
76.191
1.00
30.95
C

ATOM
2167
CB
HIS
C
78
36.335
137.987
75.633
1.00
30.49
C

ATOM
2168
CG
HIS
C
78
36.799
139.370
75.975
1.00
31.82
C

ATOM
2169
CD2
HIS
C
78
38.023
139.858
76.274
1.00
32.73
C

ATOM
2170
ND1
HIS
C
78
35.963
140.468
75.921
1.00
31.94
C

ATOM
2171
CE1
HIS
C
78
36.647
141.568
76.166
1.00
30.16
C

ATOM
2172
NE2
HIS
C
78
37.901
141.228
76.382
1.00
31.98
C

ATOM
2173
C
HIS
C
78
37.206
136.948
77.734
1.00
32.14
C

ATOM
2174
O
HIS
C
78
36.179
136.717
78.396
1.00
34.02
C

ATOM
2175
N
TRP
C
79
38.376
137.223
78.317
1.00
31.26
C

ATOM
2176
CA
TRP
C
79
38.498
137.303
79.793
1.00
29.12
C

ATOM
2177
CB
TRP
C
79
39.030
136.031
80.410
1.00
27.36
C

ATOM
2178
CG
TRP
C
79
38.637
135.893
81.845
1.00
26.00
C

ATOM
2179
CD2
TRP
C
79
37.309
135.779
82.350
1.00
24.61
C

ATOM
2180
CE2
TRP
C
79
37.412
135.610
83.759
1.00
23.81
C

ATOM
2181
CE3
TRP
C
79
36.025
135.800
81.752
1.00
24.26
C

ATOM
2182
CD1
TRP
C
79
39.474
135.796
82.940
1.00
25.05
C

ATOM
2183
NE1
TRP
C
79
38.746
135.624
84.082
1.00
23.89
C

ATOM
2184
CZ2
TRP
C
79
36.281
135.464
84.585
1.00
22.20
C

ATOM
2185
CZ3
TRP
C
79
34.877
135.637
82.589
1.00
21.91
C

ATOM
2186
CH2
TRP
C
79
35.029
135.476
83.985
1.00
22.26
C

ATOM
2187
C
TRP
C
79
39.448
138.393
80.182
1.00
29.42
C

ATOM
2188
O
TRP
C
79
40.271
138.853
79.365
1.00
29.08
C

ATOM
2189
N
ARG
C
80
39.338
138.791
81.446
1.00
29.85
C

ATOM
2190
CA
ARG
C
80
40.150
139.858
81.968
1.00
30.72
C

ATOM
2191
CB
ARG
C
80
39.502
140.476
83.178
1.00
30.49
C

ATOM
2192
CG
ARG
C
80
40.113
141.813
83.529
1.00
28.37
C

ATOM
2193
CD
ARG
C
80
39.276
142.500
84.545
1.00
28.39
C

ATOM
2194
NE
ARG
C
80
39.760
143.858
84.782
1.00
30.36
C

ATOM
2195
CZ
ARG
C
80
39.186
144.712
85.642
1.00
31.15
C

ATOM
2196
NH1
ARG
C
80
38.102
144.341
86.338
1.00
29.10
C

ATOM
2197
NH2
ARG
C
80
39.696
145.933
85.804
1.00
30.96
C

ATOM
2198
C
ARG
C
80
41.532
139.407
82.337
1.00
32.58
C

ATOM
2199
O
ARG
C
80
41.732
138.347
82.902
1.00
33.57
C

ATOM
2200
N
CYS
C
81
42.499
140.229
82.034
1.00
33.53
C

ATOM
2201
CA
CYS
C
81
43.807
139.827
82.354
1.00
37.57
C

ATOM
2202
CB
CYS
C
81
44.772
140.791
81.626
1.00
42.01
C

ATOM
2203
SG
CYS
C
81
45.438
142.042
82.691
1.00
53.97
C

ATOM
2204
C
CYS
C
81
44.001
139.739
83.892
1.00
36.01
C

ATOM
2205
O
CYS
C
81
43.448
140.497
84.659
1.00
37.08
C

ATOM
2206
N
ASN
C
82
44.771
138.761
84.320
1.00
35.22
C

ATOM
2207
CA
ASN
C
82
45.073
138.506
85.721
1.00
33.74
C

ATOM
2208
CB
ASN
C
82
45.813
139.655
86.375
1.00
34.09
C

ATOM
2209
CG
ASN
C
82
46.294
139.289
87.794
1.00
38.45
C

ATOM
2210
OD1
ASN
C
82
46.852
138.191
88.022
1.00
40.27
C

ATOM
2211
ND2
ASN
C
82
46.070
140.187
88.755
1.00
37.38
C

ATOM
2212
C
ASN
C
82
43.900
138.153
86.583
1.00
33.34
C

ATOM
2213
O
ASN
C
82
43.994
138.106
87.816
1.00
34.87
C

ATOM
2214
N
LYS
C
83
42.783
137.876
85.955
1.00
32.05
C

ATOM
2215
CA
LYS
C
83
41.608
137.522
86.712
1.00
31.58
C

ATOM
2216
CB
LYS
C
83
40.440
138.288
86.145
1.00
29.55
C

ATOM
2217
CG
LYS
C
83
39.139
137.866
86.680
1.00
29.22
C

ATOM
2218
CD
LYS
C
83
38.033
138.706
86.054
1.00
31.16
C

ATOM
2219
CE
LYS
C
83
36.701
138.362
86.696
1.00
32.13
C

ATOM
2220
NZ
LYS
C
83
35.706
139.373
86.340
1.00
34.84
C

ATOM
2221
C
LYS
C
83
41.301
135.996
86.743
1.00
32.81
C

ATOM
2222
O
LYS
C
83
41.455
135.264
85.745
1.00
33.87
C

ATOM
2223
N
THR
C
84
40.860
135.537
87.897
1.00
31.11
C

ATOM
2224
CA
THR
C
84
40.523
134.158
88.062
1.00
31.49
C

ATOM
2225
CB
THR
C
84
39.922
133.917
89.480
1.00
30.62
C

ATOM
2226
OG1
THR
C
84
40.954
134.011
90.454
1.00
33.13
C

ATOM
2227
CG2
THR
C
84
39.338
132.573
89.588
1.00
29.85
C

ATOM
2228
C
THR
C
84
39.493
133.773
86.988
1.00
31.84
C

ATOM
2229
O
THR
C
84
38.549
134.525
86.729
1.00
31.15
C

ATOM
2230
N
LEU
C
85
39.687
132.595
86.386
1.00
31.37
C

ATOM
2231
CA
LEU
C
85
38.795
132.089
85.376
1.00
31.62
C

ATOM
2232
CB
LEU
C
85
39.429
130.913
84.684
1.00
29.13
C

ATOM
2233
CG
LEU
C
85
40.698
131.259
83.940
1.00
28.22
C

ATOM
2234
CD1
LEU
C
85
41.473
129.939
83.572
1.00
24.78
C

ATOM
2235
CD2
LEU
C
85
40.280
132.111
82.757
1.00
23.91
C

ATOM
2236
C
LEU
C
85
37.493
131.622
85.967
1.00
32.88
C

ATOM
2237
O
LEU
C
85
37.441
131.243
87.128
1.00
33.69
C

ATOM
2238
N
PRO
C
86
36.419
131.620
85.165
1.00
33.95
C

ATOM
2239
CD
PRO
C
86
36.367
132.118
83.779
1.00
33.87
C

ATOM
2240
CA
PRO
C
86
35.099
131.163
85.650
1.00
35.26
C

ATOM
2241
CB
PRO
C
86
34.144
131.564
84.531
1.00
35.54
C

ATOM
2242
CG
PRO
C
86
35.054
131.590
83.296
1.00
35.69
C

ATOM
2243
C
PRO
C
86
35.031
129.649
85.985
1.00
36.54
C

ATOM
2244
O
PRO
C
86
34.149
129.228
86.731
1.00
37.79
C

ATOM
2245
N
ILE
C
87
35.934
128.838
85.440
1.00
35.53
C

ATOM
2246
CA
ILE
C
87
35.976
127.429
85.794
1.00
35.67
C

ATOM
2247
CB
ILE
C
87
35.491
126.532
84.687
1.00
37.21
C

ATOM
2248
CG2
ILE
C
87
34.055
126.864
84.406
1.00
38.13
C

ATOM
2249
CG1
ILE
C
87
36.294
126.759
83.384
1.00
38.60
C

ATOM
2250
CD1
ILE
C
87
37.792
126.480
83.403
1.00
39.08
C

ATOM
2251
C
ILE
C
87
37.419
127.104
86.011
1.00
35.70
C

ATOM
2252
O
ILE
C
87
38.261
127.910
85.664
1.00
36.91
C

ATOM
2253
N
ALA
C
88
37.723
125.933
86.571
1.00
35.30
C

ATOM
2254
CA
ALA
C
88
39.109
125.555
86.770
1.00
33.45
C

ATOM
2255
CB
ALA
C
88
39.254
124.612
87.966
1.00
31.61
C

ATOM
2256
C
ALA
C
88
39.568
124.886
85.497
1.00
32.46
C

ATOM
2257
O
ALA
C
88
38.977
123.920
85.060
1.00
34.21
C

ATOM
2258
N
PHE
C
89
40.611
125.412
84.883
1.00
31.90
C

ATOM
2259
CA
PHE
C
89
41.134
124.821
83.665
1.00
31.21
C

ATOM
2260
CB
PHE
C
89
42.289
125.642
83.114
1.00
27.99
C

ATOM
2261
CG
PHE
C
89
42.709
125.213
81.755
1.00
27.26
C

ATOM
2262
CD1
PHE
C
89
41.872
125.445
80.660
1.00
29.12
C

ATOM
2263
CD2
PHE
C
89
43.901
124.555
81.545
1.00
25.87
C

ATOM
2264
CE1
PHE
C
89
42.234
125.019
79.334
1.00
28.27
C

ATOM
2265
CE2
PHE
C
89
44.273
124.127
80.269
1.00
26.58
C

ATOM
2266
CZ
PHE
C
89
43.448
124.353
79.141
1.00
27.43
C

ATOM
2267
C
PHE
C
89
41.634
123.392
83.929
1.00
32.04
C

ATOM
2268
O
PHE
C
89
42.427
123.166
84.862
1.00
33.97
C

ATOM
2269
N
LYS
C
90
41.155
122.443
83.127
1.00
31.27
C

ATOM
2270
CA
LYS
C
90
41.554
121.041
83.217
1.00
32.10
C

ATOM
2271
CB
LYS
C
90
40.364
120.142
83.557
1.00
33.56
C

ATOM
2272
CG
LYS
C
90
39.880
120.160
84.954
1.00
35.55
C

ATOM
2273
CD
LYS
C
90
38.577
119.425
84.962
1.00
37.60
C

ATOM
2274
CE
LYS
C
90
37.578
120.076
85.964
1.00
39.41
C

ATOM
2275
NZ
LYS
C
90
37.980
119.749
87.366
1.00
41.66
C

ATOM
2276
C
LYS
C
90
42.090
120.485
81.917
1.00
31.34
C

ATOM
2277
O
LYS
C
90
41.625
120.859
80.833
1.00
31.59
C

ATOM
2278
N
VAL
C
91
43.032
119.555
82.033
1.00
29.98
C

ATOM
2279
CA
VAL
C
91
43.589
118.859
80.887
1.00
28.72
C

ATOM
2280
CB
VAL
C
91
45.114
119.056
80.746
1.00
27.09
C

ATOM
2281
CG1
VAL
C
91
45.644
118.106
79.660
1.00
25.99
C

ATOM
2282
CG2
VAL
C
91
45.404
120.476
80.344
1.00
27.09
C

ATOM
2283
C
VAL
C
91
43.283
117.363
81.108
1.00
28.64
C

ATOM
2284
O
VAL
C
91
43.682
116.765
82.114
1.00
28.10
C

ATOM
2285
N
VAL
C
92
42.544
116.773
80.182
1.00
27.50
C

ATOM
2286
CA
VAL
C
92
42.219
115.365
80.287
1.00
28.23
C

ATOM
2287
CB
VAL
C
92
40.707
115.145
80.124
1.00
27.71
C

ATOM
2288
CG1
VAL
C
92
40.374
113.659
80.240
1.00
25.28
C

ATOM
2289
CG2
VAL
C
92
39.963
115.953
81.198
1.00
26.45
C

ATOM
2290
C
VAL
C
92
42.988
114.514
79.264
1.00
29.31
C

ATOM
2291
O
VAL
C
92
42.987
114.766
78.068
1.00
29.63
C

ATOM
2292
N
ALA
C
93
43.689
113.510
79.751
1.00
30.80
C

ATOM
2293
CA
ALA
C
93
44.472
112.622
78.885
1.00
30.83
C

ATOM
2294
CB
ALA
C
93
45.725
112.176
79.616
1.00
30.47
C

ATOM
2295
C
ALA
C
93
43.671
111.393
78.448
1.00
29.88
C

ATOM
2296
O
ALA
C
93
43.077
110.719
79.260
1.00
28.59
C

ATOM
2297
N
LEU
C
94
43.646
111.124
77.148
1.00
30.60
C

ATOM
2298
CA
LEU
C
94
42.886
109.976
76.655
1.00
31.86
C

ATOM
2299
CB
LEU
C
94
42.580
110.132
75.179
1.00
29.64
C

ATOM
2300
CG
LEU
C
94
41.646
111.326
74.957
1.00
31.24
C

ATOM
2301
CD1
LEU
C
94
41.362
111.473
73.434
1.00
29.49
C

ATOM
2302
CD2
LEU
C
94
40.340
111.161
75.764
1.00
28.40
C

ATOM
2303
C
LEU
C
94
43.744
108.737
76.937
1.00
32.35
C

ATOM
2304
O
LEU
C
94
43.432
107.922
77.843
1.00
32.28
C

ATOM
2305
N
GLY
C
95
44.862
108.645
76.230
1.00
30.49
C

ATOM
2306
CA
GLY
C
95
45.752
107.530
76.429
1.00
30.05
C

ATOM
2307
C
GLY
C
95
46.384
107.591
77.787
1.00
32.09
C

ATOM
2308
O
GLY
C
95
46.412
108.623
78.413
1.00
33.00
C

ATOM
2309
N
ASP
C
96
46.951
106.481
78.233
1.00
33.70
C

ATOM
2310
CA
ASP
C
96
47.562
106.365
79.550
1.00
34.61
C

ATOM
2311
CB
ASP
C
96
48.203
105.000
79.706
1.00
36.92
C

ATOM
2312
CG
ASP
C
96
47.201
103.887
79.732
1.00
39.47
C

ATOM
2313
OD1
ASP
C
96
46.086
104.029
79.214
1.00
42.62
C

ATOM
2314
OD2
ASP
C
96
47.536
102.830
80.263
1.00
41.77
C

ATOM
2315
C
ASP
C
96
48.617
107.385
79.817
1.00
35.22
C

ATOM
2316
O
ASP
C
96
49.458
107.645
78.901
1.00
36.65
C

ATOM
2317
N
VAL
C
97
48.575
107.942
81.052
1.00
33.06
C

ATOM
2318
CA
VAL
C
97
49.533
108.930
81.549
1.00
32.14
C

ATOM
2319
CB
VAL
C
97
49.042
110.391
81.307
1.00
31.23
C

ATOM
2320
CG1
VAL
C
97
50.025
111.407
81.945
1.00
29.63
C

ATOM
2321
CG2
VAL
C
97
48.952
110.644
79.814
1.00
26.08
C

ATOM
2322
C
VAL
C
97
49.745
108.686
83.036
1.00
33.72
C

ATOM
2323
O
VAL
C
97
48.774
106.638
83.785
1.00
35.51
C

ATOM
2324
N
PRO
C
98
51.012
108.519
83.486
1.00
33.95
C

ATOM
2325
CD
PRO
C
98
52.221
108.481
82.644
1.00
33.10
C

ATOM
2326
CA
PRO
C
98
51.346
108.257
84.914
1.00
35.09
C

ATOM
2327
CB
PRO
C
98
52.857
108.015
84.906
1.00
32.98
C

ATOM
2328
CG
PRO
C
98
53.172
107.656
83.509
1.00
33.49
C

ATOM
2329
C
PRO
C
98
50.985
109.362
85.910
1.00
36.46
C

ATOM
2330
O
PRO
C
98
51.454
110.498
85.770
1.00
37.84
C

ATOM
2331
N
ASP
C
99
50.147
109.039
86.900
1.00
36.78
C

ATOM
2332
CA
ASP
C
99
49.774
110.020
87.913
1.00
36.76
C

ATOM
2333
CB
ASP
C
99
49.275
109.351
89.155
1.00
36.18
C

ATOM
2334
CG
ASP
C
99
47.854
108.942
89.040
1.00
38.61
C

ATOM
2335
OD1
ASP
C
99
47.262
109.119
87.969
1.00
37.95
C

ATOM
2336
OD2
ASP
C
99
47.300
108.440
90.028
1.00
41.34
C

ATOM
2337
C
ASP
C
99
51.044
110.736
88.260
1.00
38.07
C

ATOM
2338
O
ASP
C
99
52.111
110.127
88.280
1.00
39.22
C

ATOM
2339
N
GLY
C
100
50.962
112.042
88.488
1.00
38.69
C

ATOM
2340
CA
GLY
C
100
52.170
112.788
88.831
1.00
37.67
C

ATOM
2341
C
GLY
C
100
52.920
113.373
87.636
1.00
36.97
C

ATOM
2342
O
GLY
C
100
53.934
114.048
87.809
1.00
36.77
C

ATOM
2343
N
THR
C
101
52.459
113.104
86.417
1.00
34.74
C

ATOM
2344
CA
THR
C
101
53.129
113.715
85.299
1.00
32.15
C

ATOM
2345
CB
THR
C
101
52.636
113.124
83.987
1.00
30.65
C

ATOM
2346
OG1
THR
C
101
52.973
111.718
83.947
1.00
30.02
C

ATOM
2347
CG2
THR
C
101
53.269
113.847
82.824
1.00
27.13
C

ATOM
2348
C
THR
C
101
52.831
115.217
85.401
1.00
32.42
C

ATOM
2349
O
THR
C
101
51.710
115.643
85.741
1.00
33.86
C

ATOM
2350
N
LEU
C
102
53.861
116.011
85.171
1.00
32.25
C

ATOM
2351
CA
LEU
C
102
53.751
117.454
85.186
1.00
32.03
C

ATOM
2352
CB
LEU
C
102
55.152
118.083
85.297
1.00
32.15
C

ATOM
2353
CG
LEU
C
102
55.333
119.619
85.219
1.00
32.70
C

ATOM
2354
CD1
LEU
C
102
54.372
120.405
86.209
1.00
32.03
C

ATOM
2355
CD2
LEU
C
102
56.762
119.915
85.501
1.00
29.31
C

ATOM
2356
C
LEU
C
102
53.089
117.888
83.881
1.00
31.54
C

ATOM
2357
O
LEU
C
102
53.370
117.298
82.847
1.00
30.94
C

ATOM
2358
N
VAL
C
103
52.201
118.892
83.937
1.00
30.83
C

ATOM
2359
CA
VAL
C
103
51.513
119.428
82.764
1.00
29.27
C

ATOM
2360
CB
VAL
C
103
50.008
119.036
82.754
1.00
27.05
C

ATOM
2361
CG1
VAL
C
103
49.317
119.600
81.514
1.00
23.70
C

ATOM
2362
CG2
VAL
C
103
49.885
117.534
82.819
1.00
27.14
C

ATOM
2363
C
VAL
C
103
51.596
120.936
82.928
1.00
29.84
C

ATOM
2364
O
VAL
C
103
51.375
121.469
84.028
1.00
30.98
C

ATOM
2365
N
THR
C
104
51.851
121.638
81.846
1.00
29.90
C

ATOM
2366
CA
THR
C
104
51.943
123.077
81.930
1.00
30.30
C

ATOM
2367
CB
THR
C
104
53.383
123.569
81.839
1.00
30.59
C

ATOM
2368
OG1
THR
C
104
53.847
123.330
80.500
1.00
33.27
C

ATOM
2369
CG2
THR
C
104
54.279
122.869
82.847
1.00
29.33
C

ATOM
2370
C
THR
C
104
51.232
123.726
80.757
1.00
31.36
C

ATOM
2371
O
THR
C
104
50.983
123.070
79.728
1.00
30.44
C

ATOM
2372
N
VAL
C
105
50.962
125.027
80.904
1.00
30.15
C

ATOM
2373
CA
VAL
C
105
50.297
125.794
79.858
1.00
29.66
C

ATOM
2374
CB
VAL
C
105
48.889
126.282
80.322
1.00
28.13
C

ATOM
2375
CG1
VAL
C
105
48.298
127.227
79.341
1.00
25.68
C

ATOM
2376
CG2
VAL
C
105
47.978
125.094
80.454
1.00
26.83
C

ATOM
2377
C
VAL
C
105
51.117
126.990
79.513
1.00
30.18
C

ATOM
2378
O
VAL
C
105
51.651
127.626
80.382
1.00
32.01
C

ATOM
2379
N
MET
C
106
51.216
127.301
78.236
1.00
32.58
C

ATOM
2380
CA
MET
C
106
51.950
128.485
77.762
1.00
33.02
C

ATOM
2381
CB
MET
C
106
53.284
128.114
77.163
1.00
32.80
C

ATOM
2382
CG
MET
C
106
54.231
127.386
78.078
1.00
34.70
C

ATOM
2383
SD
MET
C
106
55.899
127.243
77.261
1.00
41.58
C

ATOM
2384
CE
MET
C
106
55.936
125.550
76.777
1.00
38.71
C

ATOM
2385
C
MET
C
106
51.052
129.081
76.672
1.00
34.08
C

ATOM
2386
O
MET
C
106
50.234
128.378
76.050
1.00
33.39
C

ATOM
2387
N
ALA
C
107
51.188
130.374
76.434
1.00
34.43
C

ATOM
2388
CA
ALA
C
107
50.336
130.986
75.453
1.00
35.00
C

ATOM
2389
CB
ALA
C
107
49.152
131.663
76.142
1.00
33.40
C

ATOM
2390
C
ALA
C
107
51.118
131.988
74.650
1.00
35.96
C

ATOM
2391
O
ALA
C
107
52.165
132.447
75.096
1.00
36.63
C

ATOM
2392
N
GLY
C
108
50.603
132.325
73.467
1.00
35.39
C

ATOM
2393
CA
GLY
C
108
51.271
133.308
72.636
1.00
36.08
C

ATOM
2394
C
GLY
C
108
50.420
133.498
71.415
1.00
36.70
C

ATOM
2395
O
GLY
C
108
49.379
132.843
71.315
1.00
38.41
C

ATOM
2396
N
ASN
C
109
50.818
134.397
70.526
1.00
36.52
C

ATOM
2397
CA
ASN
C
109
50.102
134.596
69.294
1.00
37.94
C

ATOM
2398
CB
ASN
C
109
48.672
135.117
69.537
1.00
37.11
C

ATOM
2399
CG
ASN
C
109
48.638
136.510
69.962
1.00
36.95
C

ATOM
2400
OD1
ASN
C
109
49.667
137.165
70.023
1.00
39.21
C

ATOM
2401
ND2
ASN
C
109
47.451
137.005
70.263
1.00
36.94
C

ATOM
2402
C
ASN
C
109
50.929
135.545
68.463
1.00
39.42
C

ATOM
2403
O
ASN
C
109
52.010
135.936
68.916
1.00
37.70
C

ATOM
2404
N
ASP
C
110
50.437
135.931
67.279
1.00
40.87
C

ATOM
2405
CA
ASP
C
110
51.249
136.807
66.444
1.00
44.38
C

ATOM
2406
CB
ASP
C
110
50.757
136.831
65.002
1.00
45.50
C

ATOM
2407
CG
ASP
C
110
49.457
137.600
64.827
1.00
48.02
C

ATOM
2408
OD1
ASP
C
110
49.000
137.710
63.665
1.00
50.16
C

ATOM
2409
OD2
ASP
C
110
48.884
138.083
65.819
1.00
47.93
C

ATOM
2410
C
ASP
C
110
51.423
138.245
66.926
1.00
45.71
C

ATOM
2411
O
ASP
C
110
51.916
139.092
66.172
1.00
46.80
C

ATOM
2412
N
GLU
C
111
51.058
138.510
68.179
1.00
45.59
C

ATOM
2413
CA
GLU
C
111
51.189
139.849
68.713
1.00
46.51
C

ATOM
2414
CB
GLU
C
111
49.821
140.466
68.856
1.00
47.25
C

ATOM
2415
CG
GLU
C
111
49.899
141.892
69.362
1.00
51.67
C

ATOM
2416
CD
GLU
C
111
48.832
142.802
68.744
1.00
54.57
C

ATOM
2417
OE1
GLU
C
111
48.471
143.776
69.436
1.00
55.28
C

ATOM
2418
OE2
GLU
C
111
48.371
142.554
67.574
1.00
54.30
C

ATOM
2419
C
GLU
C
111
51.944
139.911
70.042
1.00
45.60
C

ATOM
2420
O
GLU
C
111
52.673
140.868
70.307
1.00
45.89
C

ATOM
2421
N
ASN
C
112
51.751
138.900
70.874
1.00
43.35
C

ATOM
2422
CA
ASN
C
112
52.440
138.799
72.147
1.00
42.37
C

ATOM
2423
CB
ASN
C
112
51.410
138.797
73.244
1.00
41.08
C

ATOM
2424
CG
ASN
C
112
52.010
138.762
74.599
1.00
39.23
C

ATOM
2425
OD1
ASN
C
112
53.181
138.422
74.759
1.00
40.25
C

ATOM
2426
ND2
ASN
C
112
51.195
139.070
75.617
1.00
36.81
C

ATOM
2427
C
ASN
C
112
53.042
137.423
71.928
1.00
42.67
C

ATOM
2428
O
ASN
C
112
52.326
136.426
71.969
1.00
44.25
C

ATOM
2429
N
TYR
C
113
54.341
137.351
71.676
1.00
41.86
C

ATOM
2430
CA
TYR
C
113
54.901
136.063
71.324
1.00
42.12
C

ATOM
2431
CB
TYR
C
113
56.260
136.270
70.666
1.00
42.12
C

ATOM
2432
CG
TYR
C
113
57.368
136.494
71.632
1.00
43.99
C

ATOM
2433
CD1
TYR
C
113
58.047
135.414
72.185
1.00
45.33
C

ATOM
2434
CE1
TYR
C
113
59.034
135.598
73.157
1.00
46.73
C

ATOM
2435
CD2
TYR
C
113
57.704
137.776
72.058
1.00
44.61
C

ATOM
2436
CE2
TYR
C
113
58.691
137.977
73.030
1.00
45.95
C

ATOM
2437
CZ
TYR
C
113
59.338
136.876
73.579
1.00
47.28
C

ATOM
2438
OH
TYR
C
113
60.212
137.008
74.631
1.00
49.42
C

ATOM
2439
C
TYR
C
113
54.941
135.069
72.475
1.00
41.75
C

ATOM
2440
O
TYR
C
113
55.018
133.847
72.276
1.00
41.13
C

ATOM
2441
N
SER
C
114
54.831
135.600
73.686
1.00
41.69
C

ATOM
2442
CA
SER
C
114
54.855
134.757
74.855
1.00
39.84
C

ATOM
2443
CB
SER
C
114
56.290
134.441
75.178
1.00
39.26
C

ATOM
2444
OG
SER
C
114
56.306
133.396
76.131
1.00
44.63
C

ATOM
2445
C
SER
C
114
54.137
135.424
76.047
1.00
39.49
C

ATOM
2446
O
SER
C
114
54.733
136.165
76.830
1.00
40.75
C

ATOM
2447
N
ALA
C
115
52.850
135.143
76.187
1.00
37.79
C

ATOM
2448
CA
ALA
C
115
52.057
135.711
77.251
1.00
36.23
C

ATOM
2449
CB
ALA
C
115
50.617
135.390
77.017
1.00
35.84
C

ATOM
2450
C
ALA
C
115
52.445
135.251
78.647
1.00
36.33
C

ATOM
2451
O
ALA
C
115
52.738
134.077
78.868
1.00
36.02
C

ATOM
2452
N
GLU
C
116
52.402
136.192
79.587
1.00
36.44
C

ATOM
2453
CA
GLU
C
116
52.701
135.939
80.972
1.00
36.45
C

ATOM
2454
CB
GLU
C
116
53.039
137.238
81.682
1.00
39.39
C

ATOM
2455
CG
GLU
C
116
52.741
137.200
83.178
1.00
45.98
C

ATOM
2456
CD
GLU
C
116
53.426
138.348
83.935
1.00
50.07
C

ATOM
2457
OE1
GLU
C
116
52.920
139.520
83.940
1.00
51.52
C

ATOM
2458
OE2
GLU
C
116
54.502
138.063
84.515
1.00
52.79
C

ATOM
2459
C
GLU
C
116
51.501
135.284
81.629
1.00
35.12
C

ATOM
2460
O
GLU
C
116
50.383
135.785
81.553
1.00
32.87
C

ATOM
2461
N
LEU
C
117
51.770
134.188
82.318
1.00
33.65
C

ATOM
2462
CA
LEU
C
117
50.730
133.436
82.966
1.00
33.68
C

ATOM
2463
CB
LEU
C
117
50.688
132.049
82.353
1.00
33.11
C

ATOM
2464
CG
LEU
C
117
50.501
131.960
80.874
1.00
31.83
C

ATOM
2465
CD1
LEU
C
117
50.429
130.470
80.544
1.00
31.78
C

ATOM
2466
CD2
LEU
C
117
49.226
132.707
80.476
1.00
31.58
C

ATOM
2467
C
LEU
C
117
50.960
133.270
84.449
1.00
34.36
C

ATOM
2468
O
LEU
C
117
52.006
133.603
84.941
1.00
36.24
C

ATOM
2469
N
ARG
C
118
49.986
132.726
85.161
1.00
34.54
C

ATOM
2470
CA
ARG
C
118
50.146
132.469
86.574
1.00
35.11
C

ATOM
2471
CB
ARG
C
118
49.507
133.568
87.391
1.00
36.75
C

ATOM
2472
CG
ARG
C
118
50.354
134.845
87.411
1.00
41.11
C

ATOM
2473
CD
ARG
C
118
49.644
135.919
88.225
1.00
44.78
C

ATOM
2474
NE
ARG
C
118
49.084
135.339
89.454
1.00
48.38
C

ATOM
2475
CZ
ARG
C
118
48.415
136.032
90.373
1.00
49.92
C

ATOM
2476
NH1
ARG
C
118
48.238
137.346
90.190
1.00
49.36
C

ATOM
2477
NH2
ARG
C
118
47.898
135.408
91.451
1.00
50.71
C

ATOM
2478
C
ARG
C
118
49.541
131.108
86.928
1.00
34.92
C

ATOM
2479
O
ARG
C
118
48.424
130.767
86.479
1.00
36.54
C

ATOM
2480
N
ASN
C
119
50.274
130.327
87.723
1.00
32.22
C

ATOM
2481
CA
ASN
C
119
49.833
129.008
88.108
1.00
30.03
C

ATOM
2482
CB
ASN
C
119
48.542
129.101
88.872
1.00
29.21
C

ATOM
2483
CG
ASN
C
119
48.569
130.238
89.843
1.00
29.80
C

ATOM
2484
OD1
ASN
C
119
49.581
130.460
90.512
1.00
28.32
C

ATOM
2485
ND2
ASN
C
119
47.464
130.960
89.947
1.00
27.96
C

ATOM
2486
C
ASN
C
119
49.595
128.161
86.890
1.00
29.45
C

ATOM
2487
O
ASN
C
119
48.564
127.496
86.844
1.00
30.33
C

ATOM
2488
N
ALA
C
120
50.506
128.202
85.914
1.00
27.06
C

ATOM
2489
CA
ALA
C
120
50.354
127.436
84.697
1.00
26.09
C

ATOM
2490
CB
ALA
C
120
51.064
128.126
83.526
1.00
24.59
C

ATOM
2491
C
ALA
C
120
50.911
126.055
84.865
1.00
26.24
C

ATOM
2492
O
ALA
C
120
51.397
125.453
83.916
1.00
28.50
C

ATOM
2493
N
THR
C
121
50.738
125.517
86.043
1.00
25.96
C

ATOM
2494
CA
THR
C
121
51.307
124.243
86.323
1.00
27.16
C

ATOM
2495
CB
THR
C
121
52.485
124.486
87.214
1.00
27.20
C

ATOM
2496
OG1
THR
C
121
53.631
124.396
86.398
1.00
26.37
C

ATOM
2497
CG2
THR
C
121
52.550
123.534
88.392
1.00
25.56
C

ATOM
2498
C
THR
C
121
50.338
123.339
86.997
1.00
28.42
C

ATOM
2499
O
THR
C
121
49.445
123.819
87.738
1.00
27.33
C

ATOM
2500
N
ALA
C
122
50.504
122.039
86.717
1.00
28.07
C

ATOM
2501
CA
ALA
C
122
49.666
121.019
87.335
1.00
28.28
C

ATOM
2502
CB
ALA
C
122
48.226
121.139
86.829
1.00
28.29
C

ATOM
2503
C
ALA
C
122
50.180
119.574
87.164
1.00
30.64
C

ATOM
2504
O
ALA
C
122
51.129
119.271
86.402
1.00
32.48
C

ATOM
2505
N
ALA
C
123
49.540
118.652
87.854
1.00
31.13
C

ATOM
2506
CA
ALA
C
123
49.983
117.275
87.799
1.00
31.10
C

ATOM
2507
CB
ALA
C
123
50.610
116.894
89.118
1.00
28.18
C

ATOM
2508
C
ALA
C
123
48.823
116.350
87.490
1.00
31.91
C

ATOM
2509
O
ALA
C
123
47.712
116.507
88.017
1.00
31.92
C

ATOM
2510
N
MET
C
124
49.104
115.357
86.655
1.00
32.45
C

ATOM
2511
CA
MET
C
124
48.090
114.400
86.271
1.00
31.80
C

ATOM
2512
CB
MET
C
124
48.653
113.502
85.192
1.00
32.66
C

ATOM
2513
CG
MET
C
124
48.446
113.932
83.784
1.00
33.31
C

ATOM
2514
SD
MET
C
124
46.739
113.887
83.308
1.00
32.34
C

ATOM
2515
CE
MET
C
124
46.912
114.593
81.700
1.00
34.85
C

ATOM
2516
C
MET
C
124
47.697
113.533
87.439
1.00
31.69
C

ATOM
2517
O
MET
C
124
48.568
113.066
88.175
1.00
32.88
C

ATOM
2518
N
LYS
C
125
46.398
113.280
87.574
1.00
31.81
C

ATOM
2519
CA
LYS
C
125
45.847
112.411
88.612
1.00
31.27
C

ATOM
2520
CB
LYS
C
125
45.397
113.225
89.817
1.00
31.69
C

ATOM
2521
CG
LYS
C
125
45.010
112.382
91.053
1.00
34.10
C

ATOM
2522
CD
LYS
C
125
45.866
111.098
91.109
1.00
37.83
C

ATOM
2523
CE
LYS
C
125
45.960
110.495
92.554
1.00
40.64
C

ATOM
2524
NZ
LYS
C
125
46.890
109.295
92.636
1.00
41.27
C

ATOM
2525
C
LYS
C
125
44.674
111.732
87.907
1.00
31.95
C

ATOM
2526
O
LYS
C
125
43.734
112.400
87.474
1.00
29.63
C

ATOM
2527
N
ASN
C
126
44.771
110.397
87.784
1.00
33.26
C

ATOM
2528
CA
ASN
C
126
43.789
109.540
87.075
1.00
32.57
C

ATOM
2529
CB
ASN
C
126
42.504
109.264
87.888
1.00
33.62
C

ATOM
2530
CG
ASN
C
126
42.782
108.847
89.353
1.00
38.09
C

ATOM
2531
OD1
ASN
C
126
43.523
107.889
89.662
1.00
38.06
C

ATOM
2532
ND2
ASN
C
126
42.173
109.594
90.272
1.00
40.50
C

ATOM
2533
C
ASN
C
126
43.403
110.182
85.746
1.00
32.07
C

ATOM
2534
O
ASN
C
126
42.228
110.396
85.474
1.00
32.46
C

ATOM
2535
N
GLN
C
127
44.393
110.532
84.929
1.00
30.75
C

ATOM
2536
CA
GLN
C
127
44.131
111.103
83.609
1.00
30.47
C

ATOM
2537
CB
GLN
C
127
43.140
110.213
82.862
1.00
29.34
C

ATOM
2538
CG
GLN
C
127
43.621
108.773
82.781
1.00
30.08
C

ATOM
2539
CD
GLN
C
127
44.761
108.612
81.804
1.00
31.43
C

ATOM
2540
OE1
GLN
C
127
45.812
108.106
82.139
1.00
31.26
C

ATOM
2541
NE2
GLN
C
127
44.551
109.056
80.578
1.00
32.83
C

ATOM
2542
C
GLN
C
127
43.648
112.568
83.546
1.00
30.84
C

ATOM
2543
O
GLN
C
127
43.379
113.080
82.462
1.00
30.85
C

ATOM
2544
N
VAL
C
128
43.572
113.248
84.684
1.00
29.27
C

ATOM
2545
CA
VAL
C
128
43.131
114.616
84.669
1.00
28.71
C

ATOM
2546
CB
VAL
C
128
41.757
114.722
85.350
1.00
28.20
C

ATOM
2547
CG1
VAL
C
128
41.377
116.137
85.619
1.00
26.06
C

ATOM
2548
CG2
VAL
C
128
40.741
114.059
84.481
1.00
29.82
C

ATOM
2549
C
VAL
C
128
44.100
115.519
85.387
1.00
29.43
C

ATOM
2550
O
VAL
C
128
44.414
115.317
86.525
1.00
29.88
C

ATOM
2551
N
ALA
C
129
44.566
116.543
84.726
1.00
29.90
C

ATOM
2552
CA
ALA
C
129
45.454
117.457
85.400
1.00
30.97
C

ATOM
2553
CB
ALA
C
129
46.670
117.828
84.475
1.00
30.54
C

ATOM
2554
C
ALA
C
129
44.572
118.674
85.659
1.00
30.83
C

ATOM
2555
O
ALA
C
129
44.106
119.301
84.705
1.00
31.50
C

ATOM
2556
N
ARG
C
130
44.328
119.020
86.921
1.00
31.92
C

ATOM
2557
CA
ARG
C
130
43.473
120.190
87.208
1.00
32.94
C

ATOM
2558
CB
ARG
C
130
42.496
119.868
88.325
1.00
34.08
C

ATOM
2559
CG
ARG
C
130
41.792
121.061
88.891
1.00
37.35
C

ATOM
2560
CD
ARG
C
130
40.742
120.618
89.946
1.00
40.95
C

ATOM
2561
NE
ARG
C
130
39.854
121.694
90.385
1.00
44.31
C

ATOM
2562
CZ
ARG
C
130
40.251
122.753
91.109
1.00
47.14
C

ATOM
2563
NH1
ARG
C
130
41.541
122.875
91.485
1.00
49.43
C

ATOM
2564
NH2
ARG
C
130
39.369
123.709
91.459
1.00
48.31
C

ATOM
2565
C
ARG
C
130
44.274
121.385
87.627
1.00
33.26
C

ATOM
2566
O
ARG
C
130
45.012
121.313
88.589
1.00
34.61
C

ATOM
2567
N
PHE
C
131
44.153
122.491
86.918
1.00
32.50
C

ATOM
2568
CA
PHE
C
131
44.871
123.665
87.345
1.00
31.73
C

ATOM
2569
CB
PHE
C
131
45.159
124.549
86.191
1.00
29.41
C

ATOM
2570
CG
PHE
C
131
46.147
123.980
85.259
1.00
28.37
C

ATOM
2571
CD1
PHE
C
131
45.784
122.911
84.410
1.00
26.82
C

ATOM
2572
CD2
PHE
C
131
47.437
124.506
85.198
1.00
24.53
C

ATOM
2573
CE1
PHE
C
131
46.696
122.379
83.509
1.00
25.51
C

ATOM
2574
CE2
PHE
C
131
48.341
123.985
84.306
1.00
26.00
C

ATOM
2575
CZ
PHE
C
131
47.977
122.918
83.453
1.00
26.06
C

ATOM
2576
C
PHE
C
131
44.127
124.470
88.361
1.00
34.03
C

ATOM
2577
O
PHE
C
131
42.946
124.737
88.208
1.00
36.47
C

ATOM
2578
N
ASN
C
132
44.827
124.867
89.409
1.00
37.26
C

ATOM
2579
CA
ASN
C
132
44.275
125.675
90.487
1.00
37.97
C

ATOM
2580
CB
ASN
C
132
44.988
125.334
91.797
1.00
39.99
C

ATOM
2581
CG
ASN
C
132
44.322
125.962
93.024
1.00
44.28
C

ATOM
2582
OD1
ASN
C
132
43.131
125.746
93.303
1.00
47.04
C

ATOM
2583
ND2
ASN
C
132
45.096
126.720
93.776
1.00
46.02
C

ATOM
2584
C
ASN
C
132
44.590
127.121
90.105
1.00
38.49
C

ATOM
2585
O
ASN
C
132
45.783
127.522
89.989
1.00
40.17
C

ATOM
2586
N
ASP
C
133
43.553
127.909
89.885
1.00
35.68
C

ATOM
2587
CA
ASP
C
133
43.736
129.311
89.561
1.00
34.27
C

ATOM
2588
CB
ASP
C
133
44.190
130.069
90.789
1.00
35.39
C

ATOM
2589
CG
ASP
C
133
43.822
131.546
90.717
1.00
38.00
C

ATOM
2590
OD1
ASP
C
133
42.828
131.872
90.045
1.00
37.80
C

ATOM
2591
OD2
ASP
C
133
44.510
132.391
91.338
1.00
40.98
C

ATOM
2592
C
ASP
C
133
44.616
129.730
88.400
1.00
32.74
C

ATOM
2593
O
ASP
C
133
45.331
130.725
88.496
1.00
31.56
C

ATOM
2594
N
LEU
C
134
44.573
128.992
87.294
1.00
31.56
C

ATOM
2595
CA
LEU
C
134
45.364
129.416
86.119
1.00
30.91
C

ATOM
2596
CB
LEU
C
134
45.109
128.459
84.934
1.00
29.53
C

ATOM
2597
CG
LEU
C
134
45.482
128.973
83.535
1.00
28.14
C

ATOM
2598
CD1
LEU
C
134
46.980
129.104
83.411
1.00
29.33
C

ATOM
2599
CD2
LEU
C
134
44.973
128.030
82.508
1.00
26.88
C

ATOM
2600
C
LEU
C
134
44.894
130.847
85.741
1.00
30.21
C

ATOM
2601
O
LEU
C
134
43.704
131.142
85.789
1.00
30.09
C

ATOM
2602
N
ARG
C
135
45.822
131.733
85.403
1.00
29.58
C

ATOM
2603
CA
ARG
C
135
45.474
133.105
84.984
1.00
29.40
C

ATOM
2604
CB
ARG
C
135
45.624
134.129
86.094
1.00
30.04
C

ATOM
2605
CG
ARG
C
135
44.784
133.842
87.299
1.00
33.62
C

ATOM
2606
CD
ARG
C
135
44.726
135.001
88.203
1.00
34.28
C

ATOM
2607
NE
ARG
C
135
44.351
134.610
89.548
1.00
35.57
C

ATOM
2608
CZ
ARG
C
135
44.110
135.504
90.517
1.00
37.54
C

ATOM
2609
NH1
ARG
C
135
44.194
136.808
90.254
1.00
36.98
C

ATOM
2610
NH2
ARG
C
135
43.842
135.107
91.749
1.00
34.63
C

ATOM
2611
C
ARG
C
135
46.314
133.622
83.857
1.00
29.56
C

ATOM
2612
O
ARG
C
135
47.540
133.355
83.774
1.00
30.47
C

ATOM
2613
N
PHE
C
136
45.661
134.373
82.986
1.00
27.71
C

ATOM
2614
CA
PHE
C
136
46.374
134.976
81.894
1.00
29.41
C

ATOM
2615
CB
PHE
C
136
45.522
134.935
80.643
1.00
28.54
C

ATOM
2616
CG
PHE
C
136
45.229
133.568
80.181
1.00
27.81
C

ATOM
2617
CD1
PHE
C
136
44.279
132.800
80.819
1.00
28.56
C

ATOM
2618
CD2
PHE
C
136
45.925
133.027
79.124
1.00
25.86
C

ATOM
2619
CE1
PHE
C
136
44.030
131.486
80.392
1.00
28.56
C

ATOM
2620
CE2
PHE
C
136
45.686
131.750
78.699
1.00
26.19
C

ATOM
2621
CZ
PHE
C
136
44.749
130.970
79.314
1.00
26.97
C

ATOM
2622
C
PHE
C
136
46.694
136.432
82.258
1.00
30.80
C

ATOM
2623
O
PHE
C
136
45.776
137.239
82.474
1.00
31.28
C

ATOM
2624
N
VAL
C
137
47.979
136.779
82.327
1.00
31.42
C

ATOM
2625
CA
VAL
C
137
48.365
138.162
82.666
1.00
32.80
C

ATOM
2626
CB
VAL
C
137
49.603
138.192
83.566
1.00
32.75
C

ATOM
2627
CG1
VAL
C
137
49.944
139.604
83.959
1.00
29.80
C

ATOM
2628
CG2
VAL
C
137
49.336
137.354
84.781
1.00
32.80
C

ATOM
2629
C
VAL
C
137
48.659
138.965
81.428
1.00
33.01
C

ATOM
2630
O
VAL
C
137
48.211
140.074
81.314
1.00
35.16
C

ATOM
2631
N
GLY
C
138
49.423
138.414
80.512
1.00
33.06
C

ATOM
2632
CA
GLY
C
138
49.682
139.117
79.272
1.00
34.89
C

ATOM
2633
C
GLY
C
138
48.453
139.326
78.378
1.00
35.80
C

ATOM
2634
O
GLY
C
138
47.496
138.544
78.375
1.00
35.47
C

ATOM
2635
N
ARG
C
139
48.474
140.385
77.585
1.00
36.48
C

ATOM
2636
CA
ARG
C
139
47.340
140.649
76.751
1.00
37.26
C

ATOM
2637
CB
ARG
C
139
47.188
142.140
76.579
1.00
41.59
C

ATOM
2638
CG
ARG
C
139
47.470
142.984
77.821
1.00
46.37
C

ATOM
2639
CD
ARG
C
139
48.131
144.333
77.325
1.00
51.78
C

ATOM
2640
NE
ARG
C
139
48.526
145.251
78.399
1.00
57.91
C

ATOM
2641
CZ
ARG
C
139
48.859
144.886
79.654
1.00
61.47
C

ATOM
2642
NH1
ARG
C
139
48.864
143.584
80.065
1.00
61.84
C

ATOM
2643
NH2
ARG
C
139
49.163
145.850
80.531
1.00
62.11
C

ATOM
2644
C
ARG
C
139
47.516
139.986
75.412
1.00
36.42
C

ATOM
2645
O
ARG
C
139
48.647
139.746
74.987
1.00
36.92
C

ATOM
2646
N
SER
C
140
46.404
139.698
74.739
1.00
35.20
C

ATOM
2647
CA
SER
C
140
46.482
139.080
73.429
1.00
34.67
C

ATOM
2648
CB
SER
C
140
45.457
137.967
73.315
1.00
35.18
C

ATOM
2649
OG
SER
C
140
44.145
138.474
73.152
1.00
35.11
C

ATOM
2650
C
SER
C
140
46.328
140.036
72.233
1.00
34.38
C

ATOM
2651
O
SER
C
140
46.619
139.637
71.134
1.00
35.00
C

ATOM
2652
N
GLY
C
141
45.882
141.279
72.426
1.00
33.71
C

ATOM
2653
CA
GLY
C
141
45.730
142.184
71.302
1.00
33.85
C

ATOM
2654
C
GLY
C
141
44.277
142.314
70.812
1.00
35.72
C

ATOM
2655
O
GLY
C
141
43.521
141.322
70.691
1.00
35.44
C

ATOM
2656
N
ARG
C
142
43.871
143.550
70.519
1.00
36.75
C

ATOM
2657
CA
ARG
C
142
42.513
143.850
70.003
1.00
37.71
C

ATOM
2658
CB
ARG
C
142
42.493
145.233
69.346
1.00
37.84
C

ATOM
2659
CG
ARG
C
142
41.135
145.799
69.143
1.00
39.53
C

ATOM
2660
CD
ARG
C
142
41.224
146.930
68.139
1.00
41.58
C

ATOM
2661
NE
ARG
C
142
39.908
147.440
67.762
1.00
45.71
C

ATOM
2662
CZ
ARG
C
142
39.192
148.292
68.488
1.00
48.33
C

ATOM
2663
NH1
ARG
C
142
39.666
148.756
69.646
1.00
48.76
C

ATOM
2664
NH2
ARG
C
142
37.985
148.667
68.057
1.00
50.63
C

ATOM
2665
C
ARG
C
142
42.118
142.801
68.962
1.00
37.32
C

ATOM
2666
O
ARG
C
142
42.936
142.433
68.098
1.00
37.71
C

ATOM
2667
N
GLY
C
143
40.874
142.330
69.045
1.00
36.31
C

ATOM
2668
CA
GLY
C
143
40.401
141.296
68.140
1.00
35.43
C

ATOM
2669
C
GLY
C
143
41.319
140.078
68.019
1.00
34.77
C

ATOM
2670
O
GLY
C
143
41.326
139.418
67.011
1.00
35.52
C

ATOM
2671
N
LYS
C
144
42.108
139.755
69.022
1.00
34.49
C

ATOM
2672
CA
LYS
C
144
42.961
138.593
68.870
1.00
35.15
C

ATOM
2673
CB
LYS
C
144
44.393
139.049
68.665
1.00
36.12
C

ATOM
2674
CG
LYS
C
144
44.595
139.678
67.319
1.00
38.14
C

ATOM
2675
CD
LYS
C
144
46.071
139.974
67.107
1.00
39.77
C

ATOM
2676
CE
LYS
C
144
46.350
140.376
65.658
1.00
40.19
C

ATOM
2677
NZ
LYS
C
144
47.797
140.681
65.402
1.00
38.89
C

ATOM
2678
C
LYS
C
144
42.890
137.578
70.026
1.00
34.25
C

ATOM
2679
O
LYS
C
144
42.466
137.895
71.138
1.00
34.48
C

ATOM
2680
N
SER
C
145
43.288
136.340
69.774
1.00
32.44
C

ATOM
2681
CA
SER
C
145
43.215
135.418
70.857
1.00
31.64
C

ATOM
2682
CB
SER
C
145
41.992
134.559
70.728
1.00
30.06
C

ATOM
2683
OG
SER
C
145
42.275
133.610
69.781
1.00
34.26
C

ATOM
2684
C
SER
C
145
44.493
134.624
70.927
1.00
31.05
C

ATOM
2685
O
SER
C
145
45.246
134.567
69.984
1.00
30.76
C

ATOM
2686
N
PHE
C
146
44.772
134.072
72.096
1.00
31.20
C

ATOM
2687
CA
PHE
C
146
45.994
133.329
72.293
1.00
31.16
C

ATOM
2688
CB
PHE
C
146
46.348
133.261
73.796
1.00
32.37
C

ATOM
2689
CG
PHE
C
146
46.995
134.517
74.369
1.00
31.15
C

ATOM
2690
CD1
PHE
C
146
46.510
135.088
75.551
1.00
30.06
C

ATOM
2691
CD2
PHE
C
146
48.088
135.099
73.756
1.00
30.78
C

ATOM
2692
CE1
PHE
C
146
47.090
136.206
76.096
1.00
28.41
C

ATOM
2693
CE2
PHE
C
146
48.672
136.218
74.300
1.00
30.83
C

ATOM
2694
CZ
PHE
C
146
48.153
136.777
75.489
1.00
28.59
C

ATOM
2695
C
PHE
C
146
45.867
131.908
71.794
1.00
31.41
C

ATOM
2696
O
PHE
C
146
44.805
131.335
71.717
1.00
31.98
C

ATOM
2697
N
THR
C
147
46.983
131.325
71.449
1.00
32.53
C

ATOM
2698
CA
THR
C
147
46.984
129.940
71.046
1.00
32.35
C

ATOM
2699
CB
THR
C
147
47.828
129.762
69.782
1.00
32.69
C

ATOM
2700
OG1
THR
C
147
47.076
130.261
68.671
1.00
35.35
C

ATOM
2701
CG2
THR
C
147
48.203
128.291
69.559
1.00
30.16
C

ATOM
2702
C
THR
C
147
47.675
129.295
72.247
1.00
32.47
C

ATOM
2703
O
THR
C
147
48.768
129.726
72.650
1.00
33.26
C

ATOM
2704
N
LEU
C
148
47.054
128.291
72.840
1.00
31.00
C

ATOM
2705
CA
LEU
C
148
47.707
127.667
73.977
1.00
31.17
C

ATOM
2706
CB
LEU
C
148
46.696
127.100
74.967
1.00
29.65
C

ATOM
2707
CG
LEU
C
148
45.657
128.021
75.532
1.00
29.82
C

ATOM
2708
CD1
LEU
C
148
44.960
127.252
76.602
1.00
29.31
C

ATOM
2709
CD2
LEU
C
148
46.295
129.286
76.081
1.00
28.30
C

ATOM
2710
C
LEU
C
148
48.576
126.487
73.595
1.00
31.90
C

ATOM
2711
O
LEU
C
148
48.276
125.756
72.621
1.00
31.95
C

ATOM
2712
N
THR
C
149
49.629
126.282
74.393
1.00
31.69
C

ATOM
2713
CA
THR
C
149
50.501
125.111
74.239
1.00
30.24
C

ATOM
2714
CB
THR
C
149
51.915
125.477
73.970
1.00
29.58
C

ATOM
2715
OG1
THR
C
149
52.016
126.061
72.655
1.00
30.84
C

ATOM
2716
CG2
THR
C
149
52.712
124.222
74.011
1.00
29.46
C

ATOM
2717
C
THR
C
149
50.413
124.315
75.539
1.00
29.25
C

ATOM
2718
O
THR
C
149
50.764
124.813
76.587
1.00
29.68
C

ATOM
2719
N
ILE
C
150
49.835
123.119
75.483
1.00
28.55
C

ATOM
2720
CA
ILE
C
150
49.678
122.282
76.668
1.00
27.65
C

ATOM
2721
CB
ILE
C
150
48.298
121.624
76.739
1.00
25.88
C

ATOM
2722
CG2
ILE
C
150
48.262
120.672
77.884
1.00
22.25
C

ATOM
2723
CG1
ILE
C
150
47.190
122.671
76.891
1.00
24.98
C

ATOM
2724
CD1
ILE
C
150
45.884
122.133
76.483
1.00
21.01
C

ATOM
2725
C
ILE
C
150
50.710
121.194
76.466
1.00
30.46
C

ATOM
2726
O
ILE
C
150
50.695
120.505
75.424
1.00
32.59
C

ATOM
2727
N
THR
C
151
51.626
121.077
77.432
1.00
31.62
C

ATOM
2728
CA
THR
C
151
52.718
120.125
77.401
1.00
31.11
C

ATOM
2729
CB
THR
C
151
54.072
120.834
77.548
1.00
31.95
C

ATOM
2730
OG1
THR
C
151
54.145
121.912
76.607
1.00
34.33
C

ATOM
2731
CG2
THR
C
151
55.228
119.884
77.264
1.00
30.94
C

ATOM
2732
C
THR
C
151
52.540
119.173
78.556
1.00
32.17
C

ATOM
2733
O
THR
C
151
52.348
119.597
79.732
1.00
32.24
C

ATOM
2734
N
VAL
C
152
52.534
117.882
78.213
1.00
31.21
C

ATOM
2735
CA
VAL
C
152
52.407
116.844
79.207
1.00
31.12
C

ATOM
2736
CB
VAL
C
152
51.314
115.891
78.847
1.00
29.96
C

ATOM
2737
CG1
VAL
C
152
51.378
114.639
79.748
1.00
27.76
C

ATOM
2738
CG2
VAL
C
152
49.996
116.600
78.968
1.00
28.60
C

ATOM
2739
C
VAL
C
152
53.779
116.174
79.190
1.00
34.28
C

ATOM
2740
O
VAL
C
152
54.230
115.631
78.155
1.00
34.65
C

ATOM
2741
N
PHE
C
153
54.451
116.250
80.341
1.00
35.20
C

ATOM
2742
CA
PHE
C
153
55.811
115.766
80.477
1.00
36.00
C

ATOM
2743
CB
PHE
C
153
56.550
116.613
81.538
1.00
34.78
C

ATOM
2744
CG
PHE
C
153
56.792
118.047
81.128
1.00
33.63
C

ATOM
2745
CD1
PHE
C
153
55.801
119.029
81.294
1.00
33.83
C

ATOM
2746
CD2
PHE
C
153
57.985
118.420
80.530
1.00
32.22
C

ATOM
2747
CE1
PHE
C
153
55.992
120.376
80.860
1.00
31.42
C

ATOM
2748
CE2
PHE
C
153
58.191
119.764
80.086
1.00
31.60
C

ATOM
2749
CZ
PHE
C
153
57.193
120.738
80.250
1.00
30.19
C

ATOM
2750
C
PHE
C
153
56.059
114.279
80.724
1.00
36.78
C

ATOM
2751
O
PHE
C
153
56.421
113.853
81.802
1.00
37.42
C

ATOM
2752
N
THR
C
154
55.882
113.505
79.674
1.00
39.01
C

ATOM
2753
CA
THR
C
154
56.155
112.073
79.652
1.00
39.76
C

ATOM
2754
CB
THR
C
154
55.094
111.379
78.803
1.00
38.18
C

ATOM
2755
OG1
THR
C
154
54.871
112.142
77.600
1.00
37.55
C

ATOM
2756
CG2
THR
C
154
53.799
111.246
79.562
1.00
36.81
C

ATOM
2757
C
THR
C
154
57.507
112.085
78.888
1.00
42.45
C

ATOM
2758
O
THR
C
154
58.004
113.185
78.528
1.00
43.06
C

ATOM
2759
N
ASN
C
155
58.122
110.925
78.644
1.00
44.92
C

ATOM
2760
CA
ASN
C
155
59.370
110.906
77.850
1.00
47.63
C

ATOM
2761
CB
ASN
C
155
60.451
110.177
78.583
1.00
52.18
C

ATOM
2762
CG
ASN
C
155
60.559
110.648
79.988
1.00
57.17
C

ATOM
2763
OD1
ASN
C
155
60.930
111.829
80.240
1.00
59.63
C

ATOM
2764
ND2
ASN
C
155
60.207
109.759
80.948
1.00
59.24
C

ATOM
2765
C
ASN
C
155
59.142
110.162
76.573
1.00
46.46
C

ATOM
2766
O
ASN
C
155
58.970
108.952
76.611
1.00
48.77
C

ATOM
2767
N
CPR
C
156
59.088
110.862
75.438
1.00
44.14
C

ATOM
2768
CD
CPR
C
156
58.882
110.310
74.088
1.00
43.00
C

ATOM
2769
CA
CPR
C
156
59.232
112.306
75.369
1.00
42.57
C

ATOM
2770
CB
CPR
C
156
59.599
112.523
73.926
1.00
43.09
C

ATOM
2771
CG
CPR
C
156
58.691
111.566
73.266
1.00
42.89
C

ATOM
2772
C
CPR
C
156
57.952
113.042
75.710
1.00
40.74
C

ATOM
2773
O
CPR
C
156
56.889
112.477
75.857
1.00
41.66
C

ATOM
2774
N
PRO
C
157
58.043
114.338
75.815
1.00
39.34
C

ATOM
2775
CD
PRO
C
157
59.222
115.203
75.657
1.00
38.18
C

ATOM
2776
CA
PRO
C
157
56.840
115.100
76.143
1.00
39.29
C

ATOM
2777
CB
PRO
C
157
57.377
116.546
76.253
1.00
39.14
C

ATOM
2778
CG
PRO
C
157
58.898
116.339
76.550
1.00
37.70
C

ATOM
2779
C
PRO
C
157
55.789
114.998
75.049
1.00
37.95
C

ATOM
2780
O
PRO
C
157
56.126
114.817
73.890
1.00
38.79
C

ATOM
2781
N
GLN
C
158
54.520
115.136
75.410
1.00
37.52
C

ATOM
2782
CA
GLN
C
158
53.434
115.159
74.401
1.00
35.07
C

ATOM
2783
CB
GLN
C
158
52.317
114.186
74.754
1.00
35.50
C

ATOM
2784
CG
GLN
C
158
52.781
112.767
74.709
1.00
34.35
C

ATOM
2785
CD
GLN
C
158
51.695
111.805
75.081
1.00
36.62
C

ATOM
2786
OE1
GLN
C
158
50.677
111.693
74.386
1.00
36.49
C

ATOM
2787
NE2
GLN
C
158
51.892
111.099
76.193
1.00
35.38
C

ATOM
2788
C
GLN
C
158
52.936
116.588
74.479
1.00
33.32
C

ATOM
2789
O
GLN
C
158
52.788
117.142
75.589
1.00
32.85
C

ATOM
2790
N
VAL
C
159
52.720
117.194
73.317
1.00
31.22
C

ATOM
2791
CA
VAL
C
159
52.301
118.569
73.264
1.00
29.12
C

ATOM
2792
CB
VAL
C
159
53.397
119.416
72.597
1.00
28.28
C

ATOM
2793
CG1
VAL
C
159
53.008
120.892
72.600
1.00
24.72
C

ATOM
2794
CG2
VAL
C
159
54.735
119.238
73.355
1.00
24.46
C

ATOM
2795
C
VAL
C
159
51.033
118.697
72.500
1.00
30.16
C

ATOM
2796
O
VAL
C
159
50.868
118.038
71.502
1.00
29.55
C

ATOM
2797
N
ALA
C
160
50.138
119.559
72.984
1.00
31.65
C

ATOM
2798
CA
ALA
C
160
48.838
119.792
72.363
1.00
32.47
C

ATOM
2799
CB
ALA
C
160
47.738
119.130
73.197
1.00
31.05
C

ATOM
2800
C
ALA
C
160
48.555
121.260
72.318
1.00
33.73
C

ATOM
2801
O
ALA
C
160
48.628
121.934
73.357
1.00
34.40
C

ATOM
2802
N
THR
C
161
48.224
121.771
71.141
1.00
34.55
C

ATOM
2803
CA
THR
C
161
47.852
123.180
71.054
1.00
35.53
C

ATOM
2804
CB
THR
C
161
48.476
123.861
69.822
1.00
33.32
C

ATOM
2805
OG1
THR
C
161
48.067
123.169
68.658
1.00
34.69
C

ATOM
2806
CG2
THR
C
161
49.997
123.806
69.907
1.00
33.77
C

ATOM
2807
C
THR
C
161
46.296
123.302
71.041
1.00
36.01
C

ATOM
2808
O
THR
C
161
45.560
122.328
70.840
1.00
36.48
C

ATOM
2809
N
TYR
C
162
45.816
124.495
71.345
1.00
36.41
C

ATOM
2810
CA
TYR
C
162
44.418
124.842
71.355
1.00
35.42
C

ATOM
2811
CB
TYR
C
162
44.006
124.834
72.786
1.00
36.91
C

ATOM
2812
CG
TYR
C
162
42.585
125.215
73.074
1.00
40.97
C

ATOM
2813
CD1
TYR
C
162
42.153
125.338
74.415
1.00
42.63
C

ATOM
2814
CE1
TYR
C
162
40.850
125.751
74.750
1.00
44.91
C

ATOM
2815
CD2
TYR
C
162
41.684
125.506
72.057
1.00
41.57
C

ATOM
2816
CE2
TYR
C
162
40.384
125.919
72.351
1.00
45.00
C

ATOM
2817
CZ
TYR
C
162
39.958
126.050
73.710
1.00
47.80
C

ATOM
2818
OH
TYR
C
162
38.678
126.519
74.059
1.00
49.20
C

ATOM
2819
C
TYR
C
162
44.488
126.254
70.741
1.00
35.83
C

ATOM
2820
O
TYR
C
162
44.913
127.214
71.386
1.00
36.47
C

ATOM
2821
N
HIS
C
163
44.158
126.358
69.466
1.00
36.31
C

ATOM
2822
CA
HIS
C
163
44.264
127.625
68.743
1.00
38.00
C

ATOM
2823
CB
HIS
C
163
44.388
127.348
67.223
1.00
39.67
C

ATOM
2824
CG
HIS
C
163
45.794
127.075
66.756
1.00
41.87
C

ATOM
2825
CD2
HIS
C
163
46.762
127.912
66.292
1.00
43.04
C

ATOM
2826
ND1
HIS
C
163
46.394
125.838
66.876
1.00
42.34
C

ATOM
2827
CE1
HIS
C
163
47.666
125.921
66.526
1.00
42.13
C

ATOM
2828
NE2
HIS
C
163
47.917
127.169
66.169
1.00
44.05
C

ATOM
2829
C
HIS
C
163
43.073
128.542
69.031
1.00
38.22
C

ATOM
2830
O
HIS
C
163
41.972
128.047
69.292
1.00
37.27
C

ATOM
2831
N
ARG
C
164
43.313
129.865
69.032
1.00
39.32
C

ATOM
2832
CA
ARG
C
164
42.244
130.862
69.262
1.00
39.68
C

ATOM
2833
CB
ARG
C
164
41.336
130.949
68.022
1.00
42.31
C

ATOM
2834
CG
ARG
C
164
42.029
131.581
66.789
1.00
46.60
C

ATOM
2835
CD
ARG
C
164
41.241
131.348
65.484
1.00
52.63
C

ATOM
2836
NE
ARG
C
164
41.913
130.302
64.699
1.00
57.97
C

ATOM
2837
CZ
ARG
C
164
41.464
129.053
64.497
1.00
58.83
C

ATOM
2838
NH1
ARG
C
164
40.294
128.631
64.996
1.00
58.95
C

ATOM
2839
NH2
ARG
C
164
42.238
128.195
63.835
1.00
59.81
C

ATOM
2840
C
ARG
C
164
41.415
130.462
70.455
1.00
38.31
C

ATOM
2841
O
ARG
C
164
40.180
130.472
70.415
1.00
37.61
C

ATOM
2842
N
ALA
C
165
42.112
130.124
71.532
1.00
37.92
C

ATOM
2843
CA
ALA
C
165
41.454
129.638
72.734
1.00
36.34
C

ATOM
2844
CB
ALA
C
165
42.408
128.791
73.538
1.00
35.79
C

ATOM
2845
C
ALA
C
165
40.889
130.722
73.591
1.00
35.29
C

ATOM
2846
O
ALA
C
165
39.857
130.510
74.216
1.00
36.44
C

ATOM
2847
N
ILE
C
166
41.526
131.891
73.625
1.00
32.84
C

ATOM
2848
CA
ILE
C
166
40.999
132.937
74.490
1.00
30.51
C

ATOM
2849
CB
ILE
C
166
41.254
132.546
75.949
1.00
30.91
C

ATOM
2850
CG2
ILE
C
166
42.765
132.447
76.230
1.00
28.33
C

ATOM
2851
CG1
ILE
C
166
40.621
133.563
76.869
1.00
31.29
C

ATOM
2852
CD1
ILE
C
166
40.779
133.193
78.332
1.00
31.89
C

ATOM
2853
C
ILE
C
166
41.621
134.294
74.219
1.00
29.92
C

ATOM
2854
O
ILE
C
166
42.814
134.398
73.903
1.00
29.40
C

ATOM
2855
N
LYS
C
167
40.798
135.334
74.294
1.00
29.76
C

ATOM
2856
CA
LYS
C
167
41.267
136.715
74.100
1.00
30.32
C

ATOM
2857
CB
LYS
C
167
40.309
137.543
73.286
1.00
29.05
C

ATOM
2858
CG
LYS
C
167
40.679
138.994
73.335
1.00
30.41
C

ATOM
2859
CD
LYS
C
167
39.942
139.793
72.302
1.00
30.19
C

ATOM
2860
CE
LYS
C
167
38.446
139.884
72.592
1.00
30.18
C

ATOM
2861
NZ
LYS
C
167
37.793
140.832
71.637
1.00
31.20
C

ATOM
2862
C
LYS
C
167
41.362
137.340
75.488
1.00
31.85
C

ATOM
2863
O
LYS
C
167
40.400
137.259
76.296
1.00
32.58
C

ATOM
2864
N
ILE
C
168
42.525
137.915
75.780
1.00
31.88
C

ATOM
2865
CA
ILE
C
168
42.772
138.506
77.076
1.00
32.66
C

ATOM
2866
CB
ILE
C
168
44.004
137.884
77.757
1.00
31.38
C

ATOM
2867
CG2
ILE
C
168
44.334
138.687
79.002
1.00
30.67
C

ATOM
2868
CG1
ILE
C
168
43.715
136.432
78.142
1.00
29.73
C

ATOM
2869
CD1
ILE
C
168
42.512
136.301
79.087
1.00
26.31
C

ATOM
2870
C
ILE
C
168
42.985
140.004
76.932
1.00
34.54
C

ATOM
2871
O
ILE
C
168
43.883
140.482
76.197
1.00
34.67
C

ATOM
2872
N
THR
C
169
42.150
140.753
77.638
1.00
34.36
C

ATOM
2873
CA
THR
C
169
42.239
142.212
77.563
1.00
33.81
C

ATOM
2874
CB
THR
C
169
40.965
142.850
76.901
1.00
31.13
C

ATOM
2875
OG1
THR
C
169
39.805
142.512
77.687
1.00
26.90
C

ATOM
2876
CG2
THR
C
169
40.792
142.343
75.484
1.00
31.32
C

ATOM
2877
C
THR
C
169
42.328
142.732
78.979
1.00
34.13
C

ATOM
2878
O
THR
C
169
42.035
142.005
79.925
1.00
33.49
C

ATOM
2879
N
VAL
C
170
42.687
144.006
79.086
1.00
34.51
C

ATOM
2880
CA
VAL
C
170
42.847
144.676
80.332
1.00
35.80
C

ATOM
2881
CB
VAL
C
170
43.479
146.008
79.974
1.00
37.64
C

ATOM
2882
CG1
VAL
C
170
42.883
147.160
80.774
1.00
38.34
C

ATOM
2883
CG2
VAL
C
170
44.991
145.878
80.155
1.00
36.90
C

ATOM
2884
C
VAL
C
170
41.518
144.782
81.102
1.00
36.60
C

ATOM
2885
O
VAL
C
170
41.470
144.687
82.336
1.00
37.63
C

ATOM
2886
N
ASP
C
171
40.429
144.943
80.372
1.00
36.48
C

ATOM
2887
CA
ASP
C
171
39.134
145.050
80.989
1.00
36.47
C

ATOM
2888
CB
ASP
C
171
38.312
146.091
80.257
1.00
37.11
C

ATOM
2889
CG
ASP
C
171
38.745
147.528
80.587
1.00
38.94
C

ATOM
2890
OD1
ASP
C
171
39.804
147.766
81.236
1.00
37.63
C

ATOM
2891
OD2
ASP
C
171
37.995
148.428
80.162
1.00
41.39
C

ATOM
2892
C
ASP
C
171
38.343
143.767
81.017
1.00
37.66
C

ATOM
2893
O
ASP
C
171
37.557
143.526
81.934
1.00
37.40
C

ATOM
2894
N
GLY
C
172
38.543
142.930
80.016
1.00
38.41
C

ATOM
2895
CA
GLY
C
172
37.757
141.728
79.951
1.00
38.59
C

ATOM
2896
C
GLY
C
172
36.406
142.167
79.381
1.00
39.33
C

ATOM
2897
O
GLY
C
172
36.190
143.346
79.075
1.00
36.51
C

ATOM
2898
N
PRO
C
173
35.485
141.218
79.209
1.00
40.94
C

ATOM
2899
CD
PRO
C
173
35.721
139.774
79.360
1.00
40.50
C

ATOM
2900
CA
PRO
C
173
34.147
141.477
78.682
1.00
43.50
C

ATOM
2901
CB
PRO
C
173
33.438
140.157
78.921
1.00
41.69
C

ATOM
2902
CG
PRO
C
173
34.519
139.185
78.674
1.00
41.96
C

ATOM
2903
C
PRO
C
173
33.442
142.637
79.390
1.00
46.36
C

ATOM
2904
O
PRO
C
173
33.417
142.705
80.627
1.00
46.49
C

ATOM
2905
N
ARG
C
174
32.872
143.548
78.598
1.00
49.70
C

ATOM
2906
CA
ARG
C
174
32.124
144.704
79.144
1.00
53.74
C

ATOM
2907
CB
ARG
C
174
33.012
145.956
79.242
1.00
50.98
C

ATOM
2908
CG
ARG
C
174
33.569
146.157
80.639
1.00
48.33
C

ATOM
2909
CD
ARG
C
174
34.551
147.314
80.700
1.00
47.25
C

ATOM
2910
NE
ARG
C
174
33.936
148.578
81.100
1.00
45.87
C

ATOM
2911
CZ
ARG
C
174
34.614
149.707
81.323
1.00
44.56
C

ATOM
2912
NH1
ARG
C
174
35.911
149.746
81.185
1.00
43.40
C

ATOM
2913
NH2
ARG
C
174
34.003
150.804
81.723
1.00
45.12
C

ATOM
2914
C
ARG
C
174
30.837
145.068
78.380
1.00
56.99
C

ATOM
2915
O
ARG
C
174
30.793
145.043
77.137
1.00
57.44
C

ATOM
2916
N
GLU
C
175
29.807
145.428
79.143
1.00
60.80
C

ATOM
2917
CA
GLU
C
175
28.520
145.798
78.566
1.00
64.68
C

ATOM
2918
CB
GLU
C
175
27.482
145.909
79.677
1.00
66.10
C

ATOM
2919
CG
GLU
C
175
26.086
145.700
79.183
1.00
70.38
C

ATOM
2920
CD
GLU
C
175
25.839
144.311
78.618
1.00
72.64
C

ATOM
2921
OE1
GLU
C
175
24.754
144.121
78.000
1.00
74.48
C

ATOM
2922
OE2
GLU
C
175
26.708
143.419
78.796
1.00
74.34
C

ATOM
2923
C
GLU
C
175
28.665
147.120
77.819
1.00
66.00
C

ATOM
2924
O
GLU
C
175
29.258
148.074
78.333
1.00
65.74
C

ATOM
2925
N
PRO
C
176
28.120
147.192
76.592
1.00
67.91
C

ATOM
2926
CD
PRO
C
176
27.093
146.263
76.070
1.00
68.95
C

ATOM
2927
CA
PRO
C
176
28.207
148.418
75.768
1.00
68.61
C

ATOM
2928
CB
PRO
C
176
27.295
148.107
74.577
1.00
68.78
C

ATOM
2929
CG
PRO
C
176
26.247
147.175
75.172
1.00
69.63
C

ATOM
2930
C
PRO
C
176
27.751
149.623
76.583
1.00
68.77
C

ATOM
2931
O
PRO
C
176
26.995
149.443
77.562
1.00
68.99
C

ATOM
2932
N
ARG
C
177
28.216
150.829
76.225
1.00
68.82
C

ATOM
2933
CA
ARG
C
177
27.819
152.038
76.993
1.00
68.89
C

ATOM
2934
CB
ARG
C
177
28.868
152.325
78.099
1.00
66.70
C

ATOM
2935
CG
ARG
C
177
30.356
152.146
77.766
1.00
65.25
C

ATOM
2936
CD
ARG
C
177
31.230
152.875
78.873
1.00
62.96
C

ATOM
2937
NE
ARG
C
177
32.653
152.489
78.896
1.00
59.27
C

ATOM
2938
CZ
ARG
C
177
33.640
153.285
79.311
1.00
57.87
C

ATOM
2939
NH1
ARG
C
177
33.361
154.492
79.737
1.00
56.75
C

ATOM
2940
NH2
ARG
C
177
34.913
152.896
79.273
1.00
56.60
C

ATOM
2941
C
ARG
C
177
27.368
153.395
76.333
1.00
69.53
C

ATOM
2942
O
ARG
C
177
27.929
153.916
75.345
1.00
70.16
C

ATOM
2943
N
ALA
C
178
25.383
155.781
76.002
0.00
77.76
C

ATOM
2944
CA
ALA
C
178
26.177
156.720
75.219
0.00
77.74
C

ATOM
2945
CB
ALA
C
178
27.608
156.758
75.743
0.00
77.77
C

ATOM
2946
C
ALA
C
178
26.168
156.342
73.743
0.00
77.72
C

ATOM
2947
O
ALA
C
178
25.819
157.204
72.911
0.00
77.71
C

ATOM
2948
OXT
ALA
C
178
26.515
155.191
73.433
1.00
77.62
C

ATOM
2949
CB
PRO
D
2
45.678
107.141
70.031
1.00
32.57
D

ATOM
2950
CG
PRO
D
2
44.620
107.963
69.374
1.00
33.93
D

ATOM
2951
C
PRO
D
2
47.055
108.952
71.083
1.00
31.66
D

ATOM
2952
O
PRO
D
2
46.807
110.088
70.797
1.00
32.83
D

ATOM
2953
N
PRO
D
2
44.674
108.683
71.588
1.00
34.36
D

ATOM
2954
CD
PRO
D
2
43.719
108.464
70.485
1.00
33.06
D

ATOM
2955
CA
PRO
D
2
45.932
107.964
71.289
1.00
33.50
D

ATOM
2956
N
ARG
D
3
48.284
108.495
71.204
1.00
30.85
D

ATOM
2957
CA
ARG
D
3
49.453
109.344
71.079
1.00
31.36
D

ATOM
2958
CB
ARG
D
3
50.707
108.557
71.384
1.00
35.34
D

ATOM
2959
CG
ARG
D
3
50.556
107.818
72.695
1.00
41.54
D

ATOM
2960
CD
ARG
D
3
51.758
107.031
73.014
1.00
45.69
D

ATOM
2961
NE
ARG
D
3
52.880
107.939
73.141
1.00
51.83
D

ATOM
2962
CZ
ARG
D
3
54.142
107.539
73.122
1.00
53.08
D

ATOM
2963
NH1
ARG
D
3
54.413
106.245
72.968
1.00
53.85
D

ATOM
2964
NH2
ARG
D
3
55.113
108.427
73.285
1.00
54.27
D

ATOM
2965
C
ARG
D
3
49.683
110.076
69.818
1.00
30.71
D

ATOM
2966
O
ARG
D
3
50.124
111.192
69.858
1.00
28.60
D

ATOM
2967
N
VAL
D
4
49.399
109.448
68.689
1.00
32.15
D

ATOM
2968
CA
VAL
D
4
49.580
110.083
67.406
1.00
33.15
D

ATOM
2969
CB
VAL
D
4
50.708
109.446
66.710
1.00
33.58
D

ATOM
2970
CG1
VAL
D
4
52.025
109.869
67.334
1.00
31.78
D

ATOM
2971
CG2
VAL
D
4
50.528
107.990
66.834
1.00
33.39
D

ATOM
2972
C
VAL
D
4
48.369
109.976
66.497
1.00
34.72
D

ATOM
2973
O
VAL
D
4
47.461
109.217
66.768
1.00
34.74
D

ATOM
2974
N
VAL
D
5
48.339
110.757
65.417
1.00
36.52
D

ATOM
2975
CA
VAL
D
5
47.230
110.657
64.483
1.00
37.41
D

ATOM
2976
CB
VAL
D
5
47.075
111.928
63.628
1.00
37.97
D

ATOM
2977
CG1
VAL
D
5
46.728
113.085
64.494
1.00
36.67
D

ATOM
2978
CG2
VAL
D
5
48.350
112.180
62.842
1.00
37.13
D

ATOM
2979
C
VAL
D
5
47.643
109.514
63.580
1.00
38.70
D

ATOM
2980
O
VAL
D
5
48.799
109.126
63.571
1.00
37.88
D

ATOM
2981
N
PRO
D
6
46.706
108.955
62.803
1.00
40.92
D

ATOM
2982
CD
PRO
D
6
45.237
109.105
62.833
1.00
40.29
D

ATOM
2983
CA
PRO
D
6
47.109
107.837
61.923
1.00
41.03
D

ATOM
2984
CB
PRO
D
6
45.783
107.191
61.536
1.00
39.87
D

ATOM
2985
CG
PRO
D
6
44.824
108.308
61.617
1.00
40.10
D

ATOM
2986
C
PRO
D
6
47.898
108.249
60.704
1.00
41.77
D

ATOM
2987
O
PRO
D
6
48.466
107.398
60.049
1.00
44.57
D

ATOM
2988
N
ASP
D
7
47.976
109.550
60.440
1.00
40.60
D

ATOM
2989
CA
ASP
D
7
48.638
110.083
59.238
1.00
40.05
D

ATOM
2990
CB
ASP
D
7
47.564
110.651
58.312
1.00
39.62
D

ATOM
2991
CG
ASP
D
7
46.676
111.660
59.032
1.00
40.66
D

ATOM
2992
OD1
ASP
D
7
46.570
111.565
60.292
1.00
42.46
D

ATOM
2993
OD2
ASP
D
7
46.093
112.547
58.374
1.00
38.89
D

ATOM
2994
C
ASP
D
7
49.593
111.214
59.580
1.00
39.49
D

ATOM
2995
O
ASP
D
7
49.420
112.326
59.103
1.00
39.94
D

ATOM
2996
N
GLN
D
8
50.580
110.926
60.415
1.00
39.45
D

ATOM
2997
CA
GLN
D
8
51.548
111.911
60.880
1.00
38.36
D

ATOM
2998
CB
GLN
D
8
52.649
111.233
61.718
1.00
37.26
D

ATOM
2999
CG
GLN
D
8
52.151
110.300
62.752
1.00
35.10
D

ATOM
3000
CD
GLN
D
8
53.234
109.783
63.669
1.00
37.73
D

ATOM
3001
OE1
GLN
D
8
53.991
110.547
64.296
1.00
34.90
D

ATOM
3002
NE2
GLN
D
8
53.299
108.464
63.777
1.00
38.15
D

ATOM
3003
C
GLN
D
8
52.205
112.678
59.762
1.00
38.74
D

ATOM
3004
O
GLN
D
8
52.144
113.929
59.716
1.00
38.77
D

ATOM
3005
N
ARG
D
9
52.824
111.931
58.854
1.00
37.98
D

ATOM
3006
CA
ARG
D
9
53.547
112.572
57.784
1.00
38.09
D

ATOM
3007
CB
ARG
D
9
54.110
111.557
56.829
1.00
37.98
D

ATOM
3008
CG
ARG
D
9
54.986
112.223
55.884
1.00
39.19
D

ATOM
3009
CD
ARG
D
9
55.994
113.008
56.640
1.00
42.50
D

ATOM
3010
NE
ARG
D
9
56.794
113.779
55.707
1.00
46.41
D

ATOM
3011
CZ
ARG
D
9
56.440
114.974
55.248
1.00
49.97
D

ATOM
3012
NH1
ARG
D
9
55.289
115.542
55.660
1.00
49.87
D

ATOM
3013
NH2
ARG
D
9
57.220
115.592
54.357
1.00
50.87
D

ATOM
3014
C
ARG
D
9
52.692
113.527
57.023
1.00
37.45
D

ATOM
3015
O
ARG
D
9
53.065
114.655
56.701
1.00
38.02
D

ATOM
3016
N
SER
D
10
51.524
113.060
56.706
1.00
38.42
D

ATOM
3017
CA
SER
D
10
50.646
113.921
55.981
1.00
40.13
D

ATOM
3018
CB
SER
D
10
49.394
113.170
55.587
1.00
39.84
D

ATOM
3019
OG
SER
D
10
48.566
114.005
54.793
1.00
38.78
D

ATOM
3020
C
SER
D
10
50.268
115.191
56.792
1.00
41.58
D

ATOM
3021
O
SER
D
10
50.246
116.309
56.254
1.00
40.30
D

ATOM
3022
N
LYS
D
11
49.949
115.013
58.072
1.00
42.37
D

ATOM
3023
CA
LYS
D
11
49.622
116.131
58.931
1.00
43.42
D

ATOM
3024
CB
LYS
D
11
49.422
115.646
60.348
1.00
43.78
D

ATOM
3025
CG
LYS
D
11
48.531
116.590
61.068
1.00
46.63
D

ATOM
3026
CD
LYS
D
11
48.027
116.126
62.439
1.00
46.71
D

ATOM
3027
CE
LYS
D
11
46.966
117.117
62.875
1.00
46.44
D

ATOM
3028
NZ
LYS
D
11
46.933
117.216
64.328
1.00
48.67
D

ATOM
3029
C
LYS
D
11
50.755
117.149
58.906
1.00
44.23
D

ATOM
3030
O
LYS
D
11
50.547
118.339
58.650
1.00
44.30
D

ATOM
3031
N
PHE
D
12
51.968
116.674
59.158
1.00
45.11
D

ATOM
3032
CA
PHE
D
12
53.128
117.541
59.148
1.00
46.21
D

ATOM
3033
CB
PHE
D
12
54.387
116.741
59.410
1.00
45.34
D

ATOM
3034
CG
PHE
D
12
55.593
117.590
59.645
1.00
45.34
D

ATOM
3035
CD1
PHE
D
12
55.760
118.272
60.847
1.00
44.60
D

ATOM
3036
CD2
PHE
D
12
56.564
117.711
58.664
1.00
43.80
D

ATOM
3037
CE1
PHE
D
12
56.869
119.055
61.049
1.00
45.98
D

ATOM
3038
CE2
PHE
D
12
57.678
118.493
58.858
1.00
43.63
D

ATOM
3039
CZ
PHE
D
12
57.847
119.169
60.032
1.00
45.55
D

ATOM
3040
C
PHE
D
12
53.307
118.301
57.830
1.00
47.76
D

ATOM
3041
O
PHE
D
12
53.826
119.420
57.830
1.00
48.66
D

ATOM
3042
N
GLU
D
13
52.885
117.724
56.711
1.00
48.82
D

ATOM
3043
CA
GLU
D
13
53.052
118.408
55.432
1.00
50.97
D

ATOM
3044
CB
GLU
D
13
53.107
117.412
54.259
1.00
53.60
D

ATOM
3045
CG
GLU
D
13
54.497
117.053
53.664
1.00
56.92
D

ATOM
3046
CD
GLU
D
13
55.386
118.244
53.284
1.00
59.65
D

ATOM
3047
OE1
GLU
D
13
56.067
118.782
54.213
1.00
60.58
D

ATOM
3048
OE2
GLU
D
13
55.408
118.618
52.069
1.00
59.30
D

ATOM
3049
C
GLU
D
13
51.950
119.364
55.079
1.00
50.36
D

ATOM
3050
O
GLU
D
13
52.180
120.388
54.464
1.00
50.65
D

ATOM
3051
N
ASN
D
14
50.736
119.015
55.454
1.00
50.28
D

ATOM
3052
CA
ASN
D
14
49.609
119.801
55.030
1.00
50.52
D

ATOM
3053
CB
ASN
D
14
48.497
118.872
54.529
1.00
51.45
D

ATOM
3054
CG
ASN
D
14
48.951
117.998
53.347
1.00
52.34
D

ATOM
3055
OD1
ASN
D
14
49.612
118.485
52.416
1.00
51.01
D

ATOM
3056
ND2
ASN
D
14
48.592
116.707
53.385
1.00
52.12
D

ATOM
3057
C
ASN
D
14
49.047
120.800
55.970
1.00
50.85
D

ATOM
3058
O
ASN
D
14
48.393
121.744
55.543
1.00
51.13
D

ATOM
3059
N
GLU
D
15
49.274
120.635
57.252
1.00
50.98
D

ATOM
3060
CA
GLU
D
15
48.738
121.658
58.115
1.00
51.60
D

ATOM
3061
CB
GLU
D
15
48.513
121.145
59.495
1.00
53.94
D

ATOM
3062
CG
GLU
D
15
47.558
120.026
59.536
1.00
57.72
D

ATOM
3063
CD
GLU
D
15
46.845
119.975
60.838
1.00
59.75
D

ATOM
3064
OE1
GLU
D
15
47.504
119.987
61.915
1.00
62.07
D

ATOM
3065
OE2
GLU
D
15
45.600
119.930
60.783
1.00
62.42
D

ATOM
3066
C
GLU
D
15
49.609
122.873
58.199
1.00
50.81
D

ATOM
3067
O
GLU
D
15
50.809
122.796
58.370
1.00
50.27
D

ATOM
3068
N
GLU
D
16
48.970
124.013
58.079
1.00
51.06
D

ATOM
3069
CA
GLU
D
16
49.660
125.274
58.125
1.00
51.27
D

ATOM
3070
CB
GLU
D
16
48.630
126.372
58.001
1.00
54.24
D

ATOM
3071
CG
GLU
D
16
49.166
127.742
57.664
1.00
61.05
D

ATOM
3072
CD
GLU
D
16
48.038
128.758
57.551
1.00
63.95
D

ATOM
3073
OE1
GLU
D
16
47.209
128.828
58.491
1.00
66.45
D

ATOM
3074
OE2
GLU
D
16
47.971
129.481
56.532
1.00
65.95
D

ATOM
3075
C
GLU
D
16
50.436
125.379
59.427
1.00
49.59
D

ATOM
3076
O
GLU
D
16
51.558
125.892
59.446
1.00
48.91
D

ATOM
3077
N
PHE
D
17
49.852
124.865
60.508
1.00
47.34
D

ATOM
3078
CA
PHE
D
17
50.536
124.904
61.796
1.00
44.93
D

ATOM
3079
CB
PHE
D
17
49.841
124.027
62.837
1.00
41.09
D

ATOM
3080
CG
PHE
D
17
50.556
123.965
64.161
1.00
37.49
D

ATOM
3081
CD1
PHE
D
17
50.618
125.077
64.987
1.00
34.81
D

ATOM
3082
CD2
PHE
D
17
51.246
122.809
64.543
1.00
36.15
D

ATOM
3083
CE1
PHE
D
17
51.367
125.046
66.175
1.00
35.31
D

ATOM
3084
CE2
PHE
D
17
51.995
122.770
65.724
1.00
36.03
D

ATOM
3085
CZ
PHE
D
17
52.065
123.888
66.552
1.00
34.89
D

ATOM
3086
C
PHE
D
17
51.970
124.426
61.671
1.00
46.16
D

ATOM
3087
O
PHE
D
17
52.894
125.103
62.142
1.00
46.89
D

ATOM
3088
N
PHE
D
18
52.166
123.251
61.071
1.00
46.74
D

ATOM
3089
CA
PHE
D
18
53.516
122.714
60.918
1.00
46.92
D

ATOM
3090
CB
PHE
D
18
53.462
121.218
60.652
1.00
45.35
D

ATOM
3091
CG
PHE
D
18
52.931
120.431
61.810
1.00
44.22
D

ATOM
3092
CD1
PHE
D
18
51.652
119.906
61.783
1.00
41.94
D

ATOM
3093
CD2
PHE
D
18
53.734
120.222
62.934
1.00
44.05
D

ATOM
3094
CE1
PHE
D
18
51.169
119.181
62.840
1.00
43.79
D

ATOM
3095
CE2
PHE
D
18
53.264
119.496
64.013
1.00
45.05
D

ATOM
3096
CZ
PHE
D
18
51.970
118.965
63.974
1.00
44.94
D

ATOM
3097
C
PHE
D
18
54.311
123.444
59.840
1.00
47.62
D

ATOM
3098
O
PHE
D
18
55.450
123.787
60.073
1.00
46.32
D

ATOM
3099
N
ARG
D
19
53.701
123.712
58.683
1.00
49.64
D

ATOM
3100
CA
ARG
D
19
54.368
124.437
57.584
1.00
51.75
D

ATOM
3101
CB
ARG
D
19
53.340
124.793
56.501
1.00
54.74
D

ATOM
3102
CG
ARG
D
19
52.643
123.567
55.882
1.00
59.49
D

ATOM
3103
CD
ARG
D
19
51.764
123.920
54.656
1.00
62.91
D

ATOM
3104
NE
ARG
D
19
51.977
122.936
53.599
1.00
67.30
D

ATOM
3105
CZ
ARG
D
19
53.015
122.950
52.757
1.00
69.38
D

ATOM
3106
NH1
ARG
D
19
53.922
123.918
52.837
1.00
69.45
D

ATOM
3107
NH2
ARG
D
19
53.192
121.963
51.878
1.00
69.91
D

ATOM
3108
C
ARG
D
19
55.065
125.727
58.081
1.00
51.25
D

ATOM
3109
O
ARG
D
19
56.236
126.004
57.792
1.00
50.41
D

ATOM
3110
N
LYS
D
20
54.343
126.501
58.866
1.00
50.86
D

ATOM
3111
CA
LYS
D
20
54.896
127.721
59.387
1.00
50.66
D

ATOM
3112
CB
LYS
D
20
53.822
128.476
60.145
1.00
52.19
D

ATOM
3113
CG
LYS
D
20
52.883
129.205
59.264
1.00
55.08
D

ATOM
3114
CD
LYS
D
20
52.071
130.211
60.033
1.00
58.75
D

ATOM
3115
CE
LYS
D
20
51.097
130.934
59.092
1.00
61.52
D

ATOM
3116
NZ
LYS
D
20
49.747
131.250
59.718
1.00
63.73
D

ATOM
3117
C
LYS
D
20
56.067
127.504
60.307
1.00
50.60
D

ATOM
3118
O
LYS
D
20
56.778
128.431
60.653
1.00
51.50
D

ATOM
3119
N
LEU
D
21
56.276
126.283
60.749
1.00
51.13
D

ATOM
3120
CA
LEU
D
21
57.369
126.032
61.676
1.00
51.75
D

ATOM
3121
CB
LEU
D
21
56.818
125.401
62.971
1.00
50.02
D

ATOM
3122
CG
LEU
D
21
56.302
126.250
64.149
1.00
49.40
D

ATOM
3123
CD1
LEU
D
21
56.283
127.713
63.808
1.00
48.92
D

ATOM
3124
CD2
LEU
D
21
54.897
125.777
64.511
1.00
49.81
D

ATOM
3125
C
LEU
D
21
58.455
125.127
61.094
1.00
53.18
D

ATOM
3126
O
LEU
D
21
59.437
124.829
61.790
1.00
53.01
D

ATOM
3127
N
SER
D
22
58.312
124.719
59.825
1.00
54.02
D

ATOM
3128
CA
SER
D
22
59.261
123.777
59.273
1.00
55.58
D

ATOM
3129
CB
SER
D
22
58.580
122.836
58.303
1.00
54.51
D

ATOM
3130
OG
SER
D
22
57.794
123.567
57.419
1.00
56.53
D

ATOM
3131
C
SER
D
22
60.491
124.355
58.670
1.00
57.18
D

ATOM
3132
O
SER
D
22
61.443
123.635
58.496
1.00
57.69
D

ATOM
3133
N
ARG
D
23
60.474
125.645
58.363
1.00
59.62
D

ATOM
3134
CA
ARG
D
23
61.626
126.374
57.814
1.00
62.09
D

ATOM
3135
CB
ARG
D
23
61.186
127.439
56.790
1.00
65.46
D

ATOM
3136
CG
ARG
D
23
60.962
127.009
55.328
1.00
71.15
D

ATOM
3137
CD
ARG
D
23
59.713
126.122
55.078
1.00
75.91
D

ATOM
3138
NE
ARG
D
23
59.472
125.941
53.635
1.00
79.79
D

ATOM
3139
CZ
ARG
D
23
58.774
124.941
53.087
1.00
81.32
D

ATOM
3140
NH1
ARG
D
23
58.224
123.987
53.854
1.00
82.05
D

ATOM
3141
NH2
ARG
D
23
58.618
124.896
51.758
1.00
80.91
D

ATOM
3142
C
ARG
D
23
62.168
127.127
59.032
1.00
62.31
D

ATOM
3143
O
ARG
D
23
61.381
127.518
59.892
1.00
63.40
D

ATOM
3144
N
GLU
D
24
63.474
127.361
59.114
1.00
61.88
D

ATOM
3145
CA
GLU
D
24
64.034
128.110
60.246
1.00
61.51
D

ATOM
3146
CB
GLU
D
24
65.525
128.267
60.074
1.00
63.62
D

ATOM
3147
CG
GLU
D
24
66.256
126.976
60.322
1.00
67.85
D

ATOM
3148
CD
GLU
D
24
67.644
126.992
59.737
1.00
70.09
D

ATOM
3149
OE1
GLU
D
24
68.357
128.002
59.971
1.00
70.97
D

ATOM
3150
OE2
GLU
D
24
68.005
125.999
59.046
1.00
71.36
D

ATOM
3151
C
GLU
D
24
63.437
129.492
60.470
1.00
59.59
D

ATOM
3152
O
GLU
D
24
63.131
130.215
59.524
1.00
59.25
D

ATOM
3153
N
CYS
D
25
63.270
129.861
61.730
1.00
57.08
D

ATOM
3154
CA
CYS
D
25
62.722
131.168
62.014
1.00
55.92
D

ATOM
3155
CB
CYS
D
25
61.180
131.214
61.842
1.00
56.43
D

ATOM
3156
SG
CYS
D
25
60.264
129.809
62.419
1.00
55.81
D

ATOM
3157
C
CYS
D
25
63.113
131.648
63.368
1.00
54.32
D

ATOM
3158
O
CYS
D
25
63.718
130.900
64.147
1.00
53.13
D

ATOM
3159
N
GLU
D
26
62.778
132.909
63.626
1.00
52.98
D

ATOM
3160
CA
GLU
D
26
63.112
133.565
64.878
1.00
52.95
D

ATOM
3161
CB
GLU
D
26
62.681
135.029
64.794
1.00
53.72
D

ATOM
3162
CG
GLU
D
26
63.102
135.868
65.978
1.00
56.93
D

ATOM
3163
CD
GLU
D
26
62.696
137.324
65.811
1.00
59.66
D

ATOM
3164
OE1
GLU
D
26
62.849
138.106
66.784
1.00
59.27
D

ATOM
3165
OE2
GLU
D
26
62.218
137.691
64.693
1.00
61.89
D

ATOM
3166
C
GLU
D
26
62.525
132.903
66.125
1.00
51.88
D

ATOM
3167
O
GLU
D
26
61.319
132.799
66.287
1.00
52.32
D

ATOM
3168
N
ILE
D
27
63.388
132.425
66.994
1.00
50.87
D

ATOM
3169
CA
ILE
D
27
62.925
131.820
68.225
1.00
51.36
D

ATOM
3170
CB
ILE
D
27
63.403
130.402
68.369
1.00
50.81
D

ATOM
3171
CG2
ILE
D
27
62.660
129.538
67.392
1.00
50.25
D

ATOM
3172
CG1
ILE
D
27
64.909
130.347
68.144
1.00
50.66
D

ATOM
3173
CD1
ILE
D
27
65.581
129.166
68.779
1.00
51.45
D

ATOM
3174
C
ILE
D
27
63.476
132.675
69.352
1.00
51.85
D

ATOM
3175
O
ILE
D
27
64.217
133.614
69.107
1.00
53.10
D

ATOM
3176
N
LYS
D
28
63.121
132.376
70.586
1.00
51.70
D

ATOM
3177
CA
LYS
D
28
63.584
133.205
71.669
1.00
51.81
D

ATOM
3178
CB
LYS
D
28
62.878
134.557
71.547
1.00
51.60
D

ATOM
3179
CG
LYS
D
28
63.201
135.519
72.626
1.00
53.02
D

ATOM
3180
CD
LYS
D
28
62.571
136.888
72.369
1.00
54.12
D

ATOM
3181
CE
LYS
D
28
63.094
137.568
71.121
1.00
52.86
D

ATOM
3182
NZ
LYS
D
28
63.036
139.051
71.314
1.00
53.52
D

ATOM
3183
C
LYS
D
28
63.289
132.539
73.028
1.00
52.51
D

ATOM
3184
O
LYS
D
28
62.221
131.910
73.216
1.00
52.46
D

ATOM
3185
N
TYR
D
29
64.248
132.652
73.954
1.00
51.77
D

ATOM
3186
CA
TYR
D
29
64.114
132.098
75.300
1.00
50.80
D

ATOM
3187
CB
TYR
D
29
65.424
132.257
76.066
1.00
49.96
D

ATOM
3188
CG
TYR
D
29
65.364
131.807
77.488
1.00
48.55
D

ATOM
3189
CD1
TYR
D
29
65.043
130.500
77.802
1.00
49.31
D

ATOM
3190
CE1
TYR
D
29
64.999
130.067
79.120
1.00
49.17
D

ATOM
3191
CD2
TYR
D
29
65.637
132.686
78.524
1.00
49.27
D

ATOM
3192
CE2
TYR
D
29
65.590
132.273
79.860
1.00
48.43
D

ATOM
3193
CZ
TYR
D
29
65.269
130.958
80.149
1.00
48.63
D

ATOM
3194
OH
TYR
D
29
65.191
130.514
81.460
1.00
49.15
D

ATOM
3195
C
TYR
D
29
63.034
132.906
75.993
1.00
51.04
D

ATOM
3196
O
TYR
D
29
63.059
134.122
75.922
1.00
51.67
D

ATOM
3197
N
THR
D
30
62.105
132.241
76.663
1.00
50.51
D

ATOM
3198
CA
THR
D
30
61.000
132.915
77.332
1.00
49.97
D

ATOM
3199
CB
THR
D
30
59.637
132.346
76.852
1.00
48.64
D

ATOM
3200
OG1
THR
D
30
59.515
130.964
77.252
1.00
47.80
D

ATOM
3201
CG2
THR
D
30
59.527
132.445
75.366
1.00
46.51
D

ATOM
3202
C
THR
D
30
61.039
132.742
78.855
1.00
50.98
D

ATOM
3203
O
THR
D
30
60.154
133.240
79.565
1.00
50.01
D

ATOM
3204
N
GLY
D
31
62.041
132.010
79.344
1.00
51.66
D

ATOM
3205
CA
GLY
D
31
62.155
131.746
80.770
1.00
52.79
D

ATOM
3206
C
GLY
D
31
62.569
132.956
81.592
1.00
54.45
D

ATOM
3207
O
GLY
D
31
63.305
133.827
81.111
1.00
54.26
D

ATOM
3208
N
PHE
D
32
62.110
132.990
82.843
1.00
56.20
D

ATOM
3209
CA
PHE
D
32
62.367
134.090
83.778
1.00
58.64
D

ATOM
3210
CB
PHE
D
32
63.709
133.894
84.463
1.00
58.34
D

ATOM
3211
CG
PHE
D
32
63.864
132.551
85.106
1.00
57.16
D

ATOM
3212
CD1
PHE
D
32
64.209
131.443
84.337
1.00
56.91
D

ATOM
3213
CD2
PHE
D
32
63.650
132.395
86.472
1.00
56.18
D

ATOM
3214
CE1
PHE
D
32
64.343
130.183
84.915
1.00
57.34
D

ATOM
3215
CE2
PHE
D
32
63.774
131.147
87.076
1.00
55.92
D

ATOM
3216
CZ
PHE
D
32
64.124
130.028
86.304
1.00
56.72
D

ATOM
3217
C
PHE
D
32
62.304
135.477
83.146
1.00
60.47
D

ATOM
3218
O
PHE
D
32
63.197
136.297
83.308
1.00
60.88
D

ATOM
3219
N
ARG
D
33
61.217
135.736
82.443
1.00
63.08
D

ATOM
3220
CA
ARG
D
33
61.039
136.998
81.774
1.00
66.21
D

ATOM
3221
CB
ARG
D
33
59.692
136.995
81.050
1.00
67.35
D

ATOM
3222
CG
ARG
D
33
59.750
136.356
79.671
1.00
70.67
D

ATOM
3223
CD
ARG
D
33
58.382
136.451
78.914
1.00
73.89
D

ATOM
3224
NE
ARG
D
33
58.076
137.789
78.353
1.00
75.50
D

ATOM
3225
CZ
ARG
D
33
58.703
138.331
77.306
1.00
75.61
D

ATOM
3226
NH1
ARG
D
33
59.689
137.663
76.689
1.00
75.01
D

ATOM
3227
NH2
ARG
D
33
58.321
139.531
76.861
1.00
75.78
D

ATOM
3228
C
ARG
D
33
61.144
138.238
82.654
1.00
67.76
D

ATOM
3229
O
ARG
D
33
61.514
139.300
82.179
1.00
68.03
D

ATOM
3230
N
ASP
D
34
60.823
138.121
83.928
1.00
69.50
D

ATOM
3231
CA
ASP
D
34
60.846
139.290
84.800
1.00
72.39
D

ATOM
3232
CB
ASP
D
34
59.798
139.118
85.905
1.00
73.15
D

ATOM
3233
CG
ASP
D
34
59.973
137.822
86.689
1.00
74.40
D

ATOM
3234
OD1
ASP
D
34
60.597
136.860
86.174
1.00
75.03
D

ATOM
3235
OD2
ASP
D
34
59.460
137.761
87.827
1.00
74.75
D

ATOM
3236
C
ASP
D
34
62.203
139.673
85.420
1.00
73.42
D

ATOM
3237
O
ASP
D
34
62.377
140.811
85.882
1.00
73.86
D

ATOM
3238
N
ARG
D
35
63.155
138.741
85.408
1.00
73.53
D

ATOM
3239
CA
ARG
D
35
64.481
138.968
85.974
1.00
74.06
D

ATOM
3240
CB
ARG
D
35
65.137
137.632
86.309
1.00
74.21
D

ATOM
3241
CG
ARG
D
35
64.661
137.041
87.610
1.00
75.32
D

ATOM
3242
CD
ARG
D
35
63.147
137.150
87.712
1.00
77.19
D

ATOM
3243
NE
ARG
D
35
62.576
136.586
88.935
1.00
77.72
D

ATOM
3244
CZ
ARG
D
35
62.989
135.465
89.512
1.00
78.37
D

ATOM
3245
NH1
ARG
D
35
64.004
134.777
88.995
1.00
78.21
D

ATOM
3246
NH2
ARG
D
35
62.346
135.011
90.580
1.00
78.75
D

ATOM
3247
C
ARG
D
35
65.403
139.758
85.060
1.00
74.25
D

ATOM
3248
O
ARG
D
35
65.181
139.810
83.860
1.00
73.92
D

ATOM
3249
N
PRO
D
36
66.469
140.378
85.629
1.00
74.71
D

ATOM
3250
CD
PRO
D
36
66.887
140.335
87.046
1.00
74.32
D

ATOM
3251
CA
PRO
D
36
67.428
141.170
84.841
1.00
74.16
D

ATOM
3252
CB
PRO
D
36
68.474
141.591
85.876
1.00
73.55
D

ATOM
3253
CG
PRO
D
36
67.735
141.583
87.152
1.00
73.93
D

ATOM
3254
C
PRO
D
36
68.036
140.289
83.762
1.00
74.00
D

ATOM
3255
O
PRO
D
36
68.199
139.074
83.952
1.00
73.57
D

ATOM
3256
N
HIS
D
37
68.396
140.900
82.642
1.00
73.90
D

ATOM
3257
CA
HIS
D
37
68.961
140.119
81.559
1.00
73.74
D

ATOM
3258
CB
HIS
D
37
69.386
141.017
80.411
1.00
73.90
D

ATOM
3259
CG
HIS
D
37
69.909
140.260
79.225
1.00
74.60
D

ATOM
3260
CD2
HIS
D
37
71.164
140.138
78.724
1.00
74.70
D

ATOM
3261
ND1
HIS
D
37
69.091
139.545
78.375
1.00
74.78
D

ATOM
3262
CE1
HIS
D
37
69.818
139.025
77.400
1.00
74.71
D

ATOM
3263
NE2
HIS
D
37
71.079
139.370
77.589
1.00
74.24
D

ATOM
3264
C
HIS
D
37
70.118
139.210
81.925
1.00
73.29
D

ATOM
3265
O
HIS
D
37
70.152
138.060
81.488
1.00
73.88
D

ATOM
3266
N
GLU
D
38
71.062
139.696
82.723
1.00
73.37
D

ATOM
3267
CA
GLU
D
38
72.237
138.883
83.075
1.00
73.46
D

ATOM
3268
CB
GLU
D
38
73.173
139.667
83.990
1.00
75.72
D

ATOM
3269
CG
GLU
D
38
73.818
140.900
83.326
1.00
78.68
D

ATOM
3270
CD
GLU
D
38
72.785
141.880
82.706
1.00
80.48
D

ATOM
3271
OE1
GLU
D
38
71.831
142.300
83.403
1.00
80.79
D

ATOM
3272
OE2
GLU
D
38
72.927
142.241
81.512
1.00
81.66
D

ATOM
3273
C
GLU
D
38
71.851
137.569
83.729
1.00
72.30
D

ATOM
3274
O
GLU
D
38
72.432
136.519
83.440
1.00
71.65
D

ATOM
3275
N
GLU
D
39
70.852
137.629
84.600
1.00
71.02
D

ATOM
3276
CA
GLU
D
39
70.373
136.438
85.273
1.00
69.39
D

ATOM
3277
CB
GLU
D
39
69.313
136.815
86.315
1.00
69.29
D

ATOM
3278
CG
GLU
D
39
68.970
135.686
87.286
1.00
69.82
D

ATOM
3279
CD
GLU
D
39
67.874
136.076
88.261
1.00
70.37
D

ATOM
3280
OE1
GLU
D
39
67.867
137.237
88.715
1.00
70.23
D

ATOM
3281
OE2
GLU
D
39
67.025
135.220
88.583
1.00
71.23
D

ATOM
3282
C
GLU
D
39
69.761
135.505
84.221
1.00
68.82
D

ATOM
3283
O
GLU
D
39
70.086
134.318
84.143
1.00
68.12
D

ATOM
3284
N
ARG
D
40
68.863
136.057
83.417
1.00
67.87
D

ATOM
3285
CA
ARG
D
40
68.201
135.265
82.407
1.00
67.91
D

ATOM
3286
CB
ARG
D
40
67.336
136.154
81.500
1.00
67.72
D

ATOM
3287
CG
ARG
D
40
66.196
136.865
82.241
1.00
66.77
D

ATOM
3288
CD
ARG
D
40
65.151
137.364
81.270
1.00
66.00
D

ATOM
3289
NE
ARG
D
40
64.540
136.229
80.585
1.00
66.23
D

ATOM
3290
CZ
ARG
D
40
64.410
136.122
79.263
1.00
65.72
D

ATOM
3291
NH1
ARG
D
40
64.846
137.106
78.465
1.00
65.14
D

ATOM
3292
NH2
ARG
D
40
63.873
135.022
78.748
1.00
63.97
D

ATOM
3293
C
ARG
D
40
69.269
134.536
81.615
1.00
67.89
D

ATOM
3294
O
ARG
D
40
69.064
133.393
81.162
1.00
67.97
D

ATOM
3295
N
GLN
D
41
70.414
135.184
81.445
1.00
66.86
D

ATOM
3296
CA
GLN
D
41
71.491
134.523
80.729
1.00
66.92
D

ATOM
3297
CB
GLN
D
41
72.635
135.495
80.514
1.00
66.33
D

ATOM
3298
CG
GLN
D
41
72.579
136.216
79.216
1.00
66.20
D

ATOM
3299
CD
GLN
D
41
73.452
137.408
79.269
1.00
66.03
D

ATOM
3300
OE1
GLN
D
41
73.929
137.900
78.252
1.00
66.02
D

ATOM
3301
NE2
GLN
D
41
73.666
137.906
80.482
1.00
66.32
D

ATOM
3302
C
GLN
D
41
71.994
133.277
81.493
1.00
66.04
D

ATOM
3303
O
GLN
D
41
72.199
132.198
80.916
1.00
65.90
D

ATOM
3304
N
ALA
D
42
72.195
133.442
82.790
1.00
65.46
D

ATOM
3305
CA
ALA
D
42
72.667
132.352
83.615
1.00
65.74
D

ATOM
3306
CB
ALA
D
42
72.924
132.857
85.007
1.00
65.68
D

ATOM
3307
C
ALA
D
42
71.616
131.257
83.647
1.00
66.32
D

ATOM
3308
O
ALA
D
42
71.910
130.102
83.301
1.00
66.27
D

ATOM
3309
N
ARG
D
43
70.406
131.639
84.082
1.00
66.54
D

ATOM
3310
CA
ARG
D
43
69.259
130.751
84.177
1.00
66.79
D

ATOM
3311
CB
ARG
D
43
67.976
131.580
84.320
1.00
67.47
D

ATOM
3312
CG
ARG
D
43
67.849
132.416
85.593
1.00
67.13
D

ATOM
3313
CD
ARG
D
43
67.654
131.528
86.768
1.00
67.30
D

ATOM
3314
NE
ARG
D
43
67.301
132.304
87.937
1.00
68.47
D

ATOM
3315
CZ
ARG
D
43
67.438
131.859
89.178
1.00
69.33
D

ATOM
3316
NH1
ARG
D
43
67.924
130.635
89.388
1.00
69.94
D

ATOM
3317
NH2
ARG
D
43
67.103
132.634
90.203
1.00
69.42
D

ATOM
3318
C
ARG
D
43
69.165
129.886
82.908
1.00
66.88
D

ATOM
3319
O
ARG
D
43
69.104
128.652
82.973
1.00
66.89
D

ATOM
3320
N
PHE
D
44
69.162
130.549
81.752
1.00
66.55
D

ATOM
3321
CA
PHE
D
44
69.079
129.852
80.475
1.00
66.16
D

ATOM
3322
CB
PHE
D
44
69.347
130.803
79.311
1.00
63.13
D

ATOM
3323
CG
PHE
D
44
69.322
130.119
77.989
1.00
61.90
D

ATOM
3324
CD1
PHE
D
44
68.168
129.485
77.544
1.00
60.65
D

ATOM
3325
CD2
PHE
D
44
70.461
130.020
77.223
1.00
61.36
D

ATOM
3326
CE1
PHE
D
44
68.155
128.766
76.375
1.00
58.87
D

ATOM
3327
CE2
PHE
D
44
70.457
129.291
76.037
1.00
60.36
D

ATOM
3328
CZ
PHE
D
44
69.303
128.665
75.619
1.00
60.45
D

ATOM
3329
C
PHE
D
44
70.079
128.705
80.431
1.00
67.22
D

ATOM
3330
O
PHE
D
44
69.693
127.532
80.378
1.00
67.33
D

ATOM
3331
N
GLN
D
45
71.364
129.051
80.470
1.00
68.33
D

ATOM
3332
CA
GLN
D
45
72.433
128.062
80.430
1.00
69.21
D

ATOM
3333
CB
GLN
D
45
73.782
128.752
80.513
1.00
70.10
D

ATOM
3334
CG
GLN
D
45
74.354
129.214
79.198
1.00
70.76
D

ATOM
3335
CD
GLN
D
45
75.868
129.258
79.249
1.00
71.18
D

ATOM
3336
OE1
GLN
D
45
76.517
128.243
79.504
1.00
71.64
D

ATOM
3337
NE2
GLN
D
45
76.434
130.432
79.014
1.00
71.03
D

ATOM
3338
C
GLN
D
45
72.376
126.976
81.502
1.00
68.95
D

ATOM
3339
O
GLN
D
45
72.595
125.796
81.214
1.00
68.07
D

ATOM
3340
N
ASN
D
46
72.118
127.366
82.738
1.00
69.16
D

ATOM
3341
CA
ASN
D
46
72.025
126.371
83.798
1.00
71.01
D

ATOM
3342
CB
ASN
D
46
71.520
127.027
85.077
1.00
72.95
D

ATOM
3343
CG
ASN
D
46
72.312
128.313
85.429
1.00
75.88
D

ATOM
3344
OD1
ASN
D
46
73.554
128.322
85.374
1.00
76.55
D

ATOM
3345
ND2
ASN
D
46
71.593
129.394
85.799
1.00
75.50
D

ATOM
3346
C
ASN
D
46
71.064
125.259
83.370
1.00
71.10
D

ATOM
3347
O
ASN
D
46
71.450
124.088
83.285
1.00
70.79
D

ATOM
3348
N
ALA
D
47
69.822
125.657
83.073
1.00
71.04
D

ATOM
3349
CA
ALA
D
47
68.756
124.756
82.645
1.00
70.47
D

ATOM
3350
CB
ALA
D
47
67.452
125.543
82.437
1.00
70.23
D

ATOM
3351
C
ALA
D
47
69.122
123.990
81.373
1.00
70.45
D

ATOM
3352
O
ALA
D
47
68.776
122.804
81.217
1.00
69.07
D

ATOM
3353
N
CYS
D
48
69.818
124.653
80.456
1.00
70.73
D

ATOM
3354
CA
CYS
D
48
70.213
123.967
79.235
1.00
71.62
D

ATOM
3355
CB
CYS
D
48
70.982
124.896
78.324
1.00
70.68
D

ATOM
3356
SG
CYS
D
48
69.958
125.820
77.216
1.00
70.62
D

ATOM
3357
C
CYS
D
48
71.079
122.775
79.589
1.00
72.73
D

ATOM
3358
O
CYS
D
48
70.877
121.681
79.080
1.00
73.31
D

ATOM
3359
N
ARG
D
49
72.051
122.994
80.461
1.00
73.87
D

ATOM
3360
CA
ARG
D
49
72.916
121.917
80.878
1.00
75.35
D

ATOM
3361
CB
ARG
D
49
74.061
122.483
81.746
1.00
78.18
D

ATOM
3362
CG
ARG
D
49
75.142
123.249
80.902
1.00
81.17
D

ATOM
3363
CD
ARG
D
49
76.320
123.834
81.711
1.00
83.22
D

ATOM
3364
NE
ARG
D
49
76.015
125.130
82.349
1.00
85.98
D

ATOM
3365
CZ
ARG
D
49
75.673
125.295
83.640
1.00
86.71
D

ATOM
3366
NH1
ARG
D
49
75.593
124.236
84.453
1.00
86.31
D

ATOM
3367
NH2
ARG
D
49
75.400
126.522
84.123
1.00
86.39
D

ATOM
3368
C
ARG
D
49
72.072
120.857
81.613
1.00
75.15
D

ATOM
3369
O
ARG
D
49
72.467
119.681
81.719
1.00
74.90
D

ATOM
3370
N
ASP
D
50
70.900
121.271
82.096
1.00
74.47
D

ATOM
3371
CA
ASP
D
50
69.968
120.353
82.763
1.00
73.42
D

ATOM
3372
CB
ASP
D
50
69.015
121.123
83.696
1.00
74.98
D

ATOM
3373
CG
ASP
D
50
69.540
121.251
85.115
1.00
75.45
D

ATOM
3374
OD1
ASP
D
50
69.647
120.214
85.833
1.00
75.65
D

ATOM
3375
OD2
ASP
D
50
69.831
122.405
85.501
1.00
76.06
D

ATOM
3376
C
ASP
D
50
69.126
119.615
81.690
1.00
71.52
D

ATOM
3377
O
ASP
D
50
68.312
118.740
82.003
1.00
71.55
D

ATOM
3378
N
GLY
D
51
69.328
119.975
80.431
1.00
68.75
D

ATOM
3379
CA
GLY
D
51
68.569
119.344
79.362
1.00
67.20
D

ATOM
3380
C
GLY
D
51
67.147
119.871
79.164
1.00
65.47
D

ATOM
3381
O
GLY
D
51
66.263
119.155
78.697
1.00
64.78
D

ATOM
3382
N
ARG
D
52
66.929
121.132
79.520
1.00
64.57
D

ATOM
3383
CA
ARG
D
52
65.626
121.737
79.388
1.00
62.19
D

ATOM
3384
CB
ARG
D
52
64.744
121.292
80.542
1.00
62.86
D

ATOM
3385
CG
ARG
D
52
65.183
121.752
81.864
1.00
65.38
D

ATOM
3386
CD
ARG
D
52
64.234
121.218
82.910
1.00
68.95
D

ATOM
3387
NE
ARG
D
52
64.492
121.791
84.236
1.00
73.18
D

ATOM
3388
CZ
ARG
D
52
64.182
123.040
84.610
1.00
75.15
D

ATOM
3389
NH1
ARG
D
52
63.593
123.887
83.762
1.00
76.24
D

ATOM
3390
NH2
ARG
D
52
64.447
123.450
85.848
1.00
75.97
D

ATOM
3391
C
ARG
D
52
65.610
123.257
79.250
1.00
60.35
D

ATOM
3392
O
ARG
D
52
66.481
123.983
79.723
1.00
59.16
D

ATOM
3393
N
SER
D
53
64.587
123.725
78.559
1.00
58.93
D

ATOM
3394
CA
SER
D
53
64.428
125.138
78.323
1.00
57.54
D

ATOM
3395
CB
SER
D
53
65.509
125.637
77.400
1.00
56.75
D

ATOM
3396
OG
SER
D
53
65.271
126.994
77.145
1.00
56.27
D

ATOM
3397
C
SER
D
53
63.098
125.452
77.698
1.00
56.81
D

ATOM
3398
O
SER
D
53
62.417
124.569
77.211
1.00
57.33
D

ATOM
3399
N
GLU
D
54
62.743
126.728
77.698
1.00
56.26
D

ATOM
3400
CA
GLU
D
54
61.492
127.195
77.122
1.00
55.56
D

ATOM
3401
CB
GLU
D
54
60.659
127.911
78.166
1.00
57.06
D

ATOM
3402
CG
GLU
D
54
60.315
127.104
79.367
1.00
59.88
D

ATOM
3403
CD
GLU
D
54
59.824
128.000
80.481
1.00
62.26
D

ATOM
3404
OE1
GLU
D
54
59.398
129.154
80.183
1.00
63.35
D

ATOM
3405
OE2
GLU
D
54
59.861
127.557
81.647
1.00
63.81
D

ATOM
3406
C
GLU
D
54
61.764
128.191
76.022
1.00
53.73
D

ATOM
3407
O
GLU
D
54
62.405
129.189
76.242
1.00
52.37
D

ATOM
3408
N
ILE
D
55
61.232
127.937
74.845
1.00
53.14
D

ATOM
3409
CA
ILE
D
55
61.425
128.844
73.734
1.00
52.27
D

ATOM
3410
CB
ILE
D
55
62.493
128.328
72.860
1.00
52.49
D

ATOM
3411
CG2
ILE
D
55
62.651
129.207
71.675
1.00
53.54
D

ATOM
3412
CG1
ILE
D
55
63.791
128.314
73.653
1.00
54.60
D

ATOM
3413
CD1
ILE
D
55
64.845
127.380
73.092
1.00
57.38
D

ATOM
3414
C
ILE
D
55
60.158
129.061
72.920
1.00
51.96
D

ATOM
3415
O
ILE
D
55
59.306
128.168
72.815
1.00
52.88
D

ATOM
3416
N
ALA
D
56
60.023
130.255
72.355
1.00
50.38
D

ATOM
3417
CA
ALA
D
56
58.847
130.552
71.569
1.00
49.63
D

ATOM
3418
CB
ALA
D
56
58.112
131.758
72.163
1.00
48.61
D

ATOM
3419
C
ALA
D
56
59.192
130.831
70.115
1.00
49.54
D

ATOM
3420
O
ALA
D
56
60.220
131.414
69.835
1.00
50.99
D

ATOM
3421
N
PHE
D
57
58.362
130.397
69.176
1.00
48.52
D

ATOM
3422
CA
PHE
D
57
58.606
130.758
67.789
1.00
46.43
D

ATOM
3423
CB
PHE
D
57
57.924
129.798
66.815
1.00
46.74
D

ATOM
3424
CG
PHE
D
57
58.630
128.481
66.671
1.00
47.17
D

ATOM
3425
CD1
PHE
D
57
58.231
127.378
67.385
1.00
47.26
D

ATOM
3426
CD2
PHE
D
57
59.692
128.345
65.805
1.00
47.93
D

ATOM
3427
CE1
PHE
D
57
58.869
126.156
67.238
1.00
47.29
D

ATOM
3428
CE2
PHE
D
57
60.336
127.120
65.654
1.00
47.62
D

ATOM
3429
CZ
PHE
D
57
59.910
126.026
66.377
1.00
47.22
D

ATOM
3430
C
PHE
D
57
57.928
132.132
67.756
1.00
46.16
D

ATOM
3431
O
PHE
D
57
56.697
132.231
67.745
1.00
45.68
D

ATOM
3432
N
VAL
D
58
58.768
133.179
67.784
1.00
45.52
D

ATOM
3433
CA
VAL
D
58
58.378
134.606
67.809
1.00
43.10
D

ATOM
3434
CB
VAL
D
58
59.599
135.551
67.607
1.00
42.52
D

ATOM
3435
CG1
VAL
D
58
59.151
136.956
67.618
1.00
39.32
D

ATOM
3436
CG2
VAL
D
58
60.609
135.343
68.701
1.00
42.75
D

ATOM
3437
C
VAL
D
58
57.324
135.076
66.842
1.00
42.18
D

ATOM
3438
O
VAL
D
58
56.386
135.736
67.244
1.00
42.83
D

ATOM
3439
N
ALA
D
59
57.467
134.776
65.569
1.00
40.19
D

ATOM
3440
CA
ALA
D
59
56.447
135.260
64.629
1.00
41.01
D

ATOM
3441
CB
ALA
D
59
56.820
134.873
63.209
1.00
38.59
D

ATOM
3442
C
ALA
D
59
54.998
134.769
64.919
1.00
41.82
D

ATOM
3443
O
ALA
D
59
54.030
135.536
64.810
1.00
43.03
D

ATOM
3444
N
THR
D
60
54.851
133.501
65.280
1.00
40.73
D

ATOM
3445
CA
THR
D
60
53.532
132.973
65.538
1.00
40.43
D

ATOM
3446
CB
THR
D
60
53.371
131.493
65.120
1.00
39.93
D

ATOM
3447
OG1
THR
D
60
54.224
130.698
65.938
1.00
39.88
D

ATOM
3448
CG2
THR
D
60
53.696
131.268
63.658
1.00
36.47
D

ATOM
3449
C
THR
D
60
53.170
132.990
66.999
1.00
40.31
D

ATOM
3450
O
THR
D
60
51.982
132.867
67.355
1.00
40.70
D

ATOM
3451
N
GLY
D
61
54.176
133.113
67.859
1.00
39.02
D

ATOM
3452
CA
GLY
D
61
53.869
133.099
69.280
1.00
36.81
D

ATOM
3453
C
GLY
D
61
53.620
131.672
69.743
1.00
36.11
D

ATOM
3454
O
GLY
D
61
52.974
131.456
70.741
1.00
35.32
D

ATOM
3455
N
THR
D
62
54.112
130.679
69.010
1.00
35.51
D

ATOM
3456
CA
THR
D
62
53.965
129.314
69.475
1.00
36.22
D

ATOM
3457
CB
THR
D
62
54.024
128.292
68.309
1.00
36.51
D

ATOM
3458
OG1
THR
D
62
52.933
128.546
67.421
1.00
39.34
D

ATOM
3459
CG2
THR
D
62
53.883
126.854
68.842
1.00
35.12
D

ATOM
3460
C
THR
D
62
55.037
128.936
70.513
1.00
36.47
D

ATOM
3461
O
THR
D
62
56.199
128.780
70.173
1.00
35.40
D

ATOM
3462
N
ASN
D
63
54.633
128.772
71.764
1.00
35.95
D

ATOM
3463
CA
ASN
D
63
55.565
128.420
72.826
1.00
37.19
D

ATOM
3464
CB
ASN
D
63
55.065
128.943
74.204
1.00
37.62
D

ATOM
3465
CG
ASN
D
63
55.111
130.483
74.320
1.00
38.81
D

ATOM
3466
OD1
ASN
D
63
55.777
131.033
75.204
1.00
40.38
D

ATOM
3467
ND2
ASN
D
63
54.411
131.169
73.431
1.00
38.85
D

ATOM
3468
C
ASN
D
63
55.746
126.906
72.919
1.00
38.57
D

ATOM
3469
O
ASN
D
63
54.855
126.139
72.507
1.00
37.97
D

ATOM
3470
N
LEU
D
64
56.898
126.493
73.468
1.00
38.79
D

ATOM
3471
CA
LEU
D
64
57.246
125.079
73.689
1.00
38.20
D

ATOM
3472
CB
LEU
D
64
57.931
124.480
72.449
1.00
36.63
D

ATOM
3473
CG
LEU
D
64
57.137
124.259
71.128
1.00
37.55
D

ATOM
3474
CD1
LEU
D
64
58.074
123.741
70.043
1.00
34.33
D

ATOM
3475
CD2
LEU
D
64
55.928
123.269
71.347
1.00
35.66
D

ATOM
3476
C
LEU
D
64
58.218
124.942
74.861
1.00
39.26
D

ATOM
3477
O
LEU
D
64
59.076
125.807
75.061
1.00
38.92
D

ATOM
3478
N
SER
D
65
58.048
123.910
75.684
1.00
39.66
D

ATOM
3479
CA
SER
D
65
59.007
123.641
76.738
1.00
40.30
D

ATOM
3480
CB
SER
D
65
58.381
123.097
78.009
1.00
42.49
D

ATOM
3481
OG
SER
D
65
57.697
124.069
78.760
1.00
47.61
D

ATOM
3482
C
SER
D
65
59.709
122.478
76.042
1.00
41.65
D

ATOM
3483
O
SER
D
65
59.022
121.614
75.451
1.00
40.41
D

ATOM
3484
N
LEU
D
66
61.048
122.443
76.134
1.00
42.73
D

ATOM
3485
CA
LEU
D
66
61.852
121.425
75.487
1.00
44.33
D

ATOM
3486
CB
LEU
D
66
62.814
122.095
74.534
1.00
43.28
D

ATOM
3487
CG
LEU
D
66
62.092
122.993
73.539
1.00
43.51
D

ATOM
3488
CD1
LEU
D
66
63.082
123.861
72.733
1.00
41.22
D

ATOM
3489
CD2
LEU
D
66
61.222
122.086
72.645
1.00
42.23
D

ATOM
3490
C
LEU
D
66
62.634
120.561
76.435
1.00
46.85
D

ATOM
3491
O
LEU
D
66
63.049
121.011
77.482
1.00
48.18
D

ATOM
3492
N
GLN
D
67
62.815
119.302
76.061
1.00
49.89
D

ATOM
3493
CA
GLN
D
67
63.593
118.334
76.833
1.00
52.13
D

ATOM
3494
CB
GLN
D
67
62.753
117.153
77.197
1.00
53.69
D

ATOM
3495
CG
GLN
D
67
61.589
117.497
78.001
1.00
56.00
D

ATOM
3496
CD
GLN
D
67
61.708
116.920
79.377
1.00
58.21
D

ATOM
3497
OE1
GLN
D
67
61.946
117.662
80.352
1.00
58.68
D

ATOM
3498
NE2
GLN
D
67
61.554
115.576
79.480
1.00
57.34
D

ATOM
3499
C
GLN
D
67
64.602
117.842
75.823
1.00
53.74
D

ATOM
3500
O
GLN
D
67
64.220
117.270
74.805
1.00
53.80
D

ATOM
3501
N
PHE
D
68
65.882
118.050
76.093
1.00
55.63
D

ATOM
3502
CA
PHE
D
68
66.916
117.631
75.157
1.00
56.56
D

ATOM
3503
CB
PHE
D
68
68.008
118.681
75.108
1.00
54.80
D

ATOM
3504
CG
PHE
D
68
67.502
120.083
75.151
1.00
53.24
D

ATOM
3505
CD1
PHE
D
68
67.747
120.899
76.279
1.00
53.65
D

ATOM
3506
CD2
PHE
D
68
66.837
120.618
74.062
1.00
52.08
D

ATOM
3507
CE1
PHE
D
68
67.337
122.236
76.295
1.00
52.73
D

ATOM
3508
CE2
PHE
D
68
66.421
121.940
74.065
1.00
51.75
D

ATOM
3509
CZ
PHE
D
68
66.672
122.755
75.177
1.00
52.13
D

ATOM
3510
C
PHE
D
68
67.531
116.283
75.523
1.00
58.25
D

ATOM
3511
O
PHE
D
68
68.646
116.224
76.024
1.00
59.67
D

ATOM
3512
N
PHE
D
69
66.788
115.213
75.298
1.00
59.90
D

ATOM
3513
CA
PHE
D
69
67.263
113.863
75.549
1.00
62.39
D

ATOM
3514
CB
PHE
D
69
66.796
113.317
76.884
1.00
63.98
D

ATOM
3515
CG
PHE
D
69
67.028
114.235
78.027
1.00
66.81
D

ATOM
3516
CD1
PHE
D
69
66.068
115.168
78.379
1.00
68.12
D

ATOM
3517
CD2
PHE
D
69
68.214
114.163
78.776
1.00
68.82
D

ATOM
3518
CE1
PHE
D
69
66.268
116.027
79.470
1.00
70.30
D

ATOM
3519
CE2
PHE
D
69
68.439
115.019
79.877
1.00
70.28
D

ATOM
3520
CZ
PHE
D
69
67.465
115.953
80.228
1.00
70.63
D

ATOM
3521
C
PHE
D
69
66.567
113.084
74.471
1.00
63.60
D

ATOM
3522
O
PHE
P
69
65.616
113.581
73.861
1.00
63.87
D

ATOM
3523
N
PRO
D
70
67.019
111.859
74.207
1.00
64.24
D

ATOM
3524
CD
PRO
D
70
68.296
111.261
74.626
1.00
64.07
D

ATOM
3525
CA
PRO
D
70
66.361
111.065
73.162
1.00
65.05
D

ATOM
3526
CB
PRO
D
70
67.426
110.036
72.796
1.00
64.31
D

ATOM
3527
CG
PRO
D
70
68.163
109.861
74.101
1.00
64.14
D

ATOM
3528
C
PRO
D
70
65.069
110.461
73.713
1.00
66.02
D

ATOM
3529
O
PRO
D
70
64.969
110.222
74.908
1.00
65.84
D

ATOM
3530
N
ALA
D
71
64.059
110.248
72.881
1.00
67.68
D

ATOM
3531
CA
ALA
D
71
62.845
109.666
73.428
1.00
69.88
D

ATOM
3532
CB
ALA
D
71
61.924
109.243
72.305
1.00
70.30
D

ATOM
3533
C
ALA
D
71
63.231
108.452
74.314
1.00
71.42
D

ATOM
3534
O
ALA
D
71
64.111
107.642
73.930
1.00
70.45
D

ATOM
3535
N
SER
D
72
62.596
108.369
75.498
1.00
73.17
D

ATOM
3536
CA
SER
D
72
62.803
107.298
76.518
1.00
74.70
D

ATOM
3537
CB
SER
D
72
63.455
106.040
75.905
1.00
75.10
D

ATOM
3538
OG
SER
D
72
63.668
105.027
76.878
1.00
74.67
D

ATOM
3539
C
SER
D
72
63.647
107.726
77.730
1.00
75.71
D

ATOM
3540
O
SER
D
72
64.874
107.880
77.628
1.00
75.99
D

ATOM
3541
N
ALA
D
73
62.991
107.902
78.873
0.00
75.89
D

ATOM
3542
CA
ALA
D
73
63.684
108.302
80.092
0.00
76.20
D

ATOM
3543
CB
ALA
D
73
63.808
109.819
80.147
0.00
76.22
D

ATOM
3544
C
ALA
D
73
62.958
107.791
81.332
0.00
76.37
D

ATOM
3545
O
ALA
D
73
61.737
107.637
81.328
0.00
76.42
D

ATOM
3546
N
ALA
D
74
63.719
107.528
82.390
0.00
76.55
D

ATOM
3547
CA
ALA
D
74
63.159
107.035
83.642
0.00
76.67
D

ATOM
3548
CB
ALA
D
74
62.384
108.149
84.339
0.00
76.73
D

ATOM
3549
C
ALA
D
74
62.251
105.832
83.408
0.00
76.74
D

ATOM
3550
O
ALA
D
74
61.080
105.840
83.792
0.00
76.80
D

ATOM
3551
N
THR
D
80
71.743
113.881
82.679
1.00
85.10
D

ATOM
3552
CA
THR
D
80
72.533
114.923
82.007
1.00
85.01
D

ATOM
3553
CB
THR
D
80
74.036
114.909
82.451
1.00
84.53
D

ATOM
3554
OG1
THR
D
80
74.139
115.347
83.808
1.00
82.90
D

ATOM
3555
CG2
THR
D
80
74.875
115.841
81.574
1.00
84.01
D

ATOM
3556
C
THR
D
80
72.472
114.788
80.480
1.00
85.21
D

ATOM
3557
O
THR
D
80
72.542
113.691
79.915
1.00
84.93
D

ATOM
3558
N
PRO
D
81
72.334
115.919
79.792
1.00
85.20
D

ATOM
3559
CD
PRO
D
81
72.143
117.279
80.338
1.00
85.40
D

ATOM
3560
CA
PRO
D
81
72.262
115.903
78.330
1.00
85.23
D

ATOM
3561
CB
PRO
D
81
71.829
117.337
77.992
1.00
85.34
D

ATOM
3562
CG
PRO
D
81
72.417
118.168
79.129
1.00
85.50
D

ATOM
3563
C
PRO
D
81
73.572
115.506
77.645
1.00
85.03
D

ATOM
3564
O
PRO
D
81
74.627
115.494
78.275
1.00
84.92
D

ATOM
3565
N
SER
D
82
73.479
115.195
76.353
1.00
84.87
D

ATOM
3566
CA
SER
D
82
74.619
114.810
75.528
1.00
84.86
D

ATOM
3567
CB
SER
D
82
74.267
113.610
74.652
1.00
84.82
D

ATOM
3568
OG
SER
D
82
74.807
113.781
73.350
1.00
84.22
D

ATOM
3569
C
SER
D
82
74.968
115.964
74.617
1.00
85.17
D

ATOM
3570
O
SER
D
82
74.127
116.813
74.361
1.00
85.56
D

ATOM
3571
N
ARG
D
83
76.192
115.981
74.100
1.00
85.39
D

ATOM
3572
CA
ARG
D
83
76.599
117.064
73.209
1.00
85.89
D

ATOM
3573
CB
ARG
D
83
78.089
116.922
72.811
1.00
88.09
D

ATOM
3574
CG
ARG
D
83
78.731
118.198
72.225
1.00
90.48
D

ATOM
3575
CD
ARG
D
83
78.695
119.376
73.247
1.00
93.40
D

ATOM
3576
NE
ARG
D
83
79.855
119.434
74.158
1.00
96.34
D

ATOM
3577
CZ
ARG
D
83
80.114
118.571
75.146
1.00
97.40
D

ATOM
3578
NH1
ARG
D
83
79.289
117.545
75.397
1.00
97.52
D

ATOM
3579
NH2
ARG
D
83
81.225
118.725
75.869
1.00
97.41
D

ATOM
3580
C
ARG
D
83
75.704
117.013
71.968
1.00
84.73
D

ATOM
3581
O
ARG
D
83
75.532
118.018
71.278
1.00
84.59
D

ATOM
3582
N
GLU
D
84
75.127
115.839
71.705
1.00
83.13
D

ATOM
3583
CA
GLU
D
84
74.253
115.647
70.544
1.00
81.45
D

ATOM
3584
CB
GLU
D
84
73.858
114.176
70.392
1.00
80.74
D

ATOM
3585
CG
GLU
D
84
73.001
113.898
69.160
1.00
79.13
D

ATOM
3586
CD
GLU
D
84
72.538
112.443
69.065
1.00
77.99
D

ATOM
3587
OE1
GLU
D
84
73.182
111.580
69.692
1.00
77.10
D

ATOM
3588
OE2
GLU
D
84
71.546
112.163
68.348
1.00
76.34
D

ATOM
3589
C
GLU
D
84
72.985
116.455
70.676
1.00
80.87
D

ATOM
3590
O
GLU
D
84
72.454
116.935
69.668
1.00
80.47
D

ATOM
3591
N
TYR
D
85
72.504
116.572
71.922
1.00
80.17
D

ATOM
3592
CA
TYR
D
85
71.273
117.308
72.245
1.00
79.72
D

ATOM
3593
CB
TYR
D
85
70.426
116.490
73.226
1.00
78.60
D

ATOM
3594
CG
TYR
D
85
69.792
115.308
72.515
1.00
78.24
D

ATOM
3595
CD1
TYR
D
85
70.483
114.104
72.347
1.00
78.22
D

ATOM
3596
CE1
TYR
D
85
69.942
113.063
71.595
1.00
77.54
D

ATOM
3597
CD2
TYR
D
85
68.541
115.432
71.917
1.00
77.93
D

ATOM
3598
CE2
TYR
D
85
67.994
114.406
71.166
1.00
77.46
D

ATOM
3599
CZ
TYR
D
85
68.696
113.230
71.007
1.00
77.62
D

ATOM
3600
OH
TYR
D
85
68.139
112.248
70.229
1.00
77.21
D

ATOM
3601
C
TYR
D
85
71.500
118.733
72.752
1.00
79.44
D

ATOM
3602
O
TYR
D
85
70.739
119.650
72.412
1.00
79.51
D

ATOM
3603
N
VAL
D
86
72.555
118.906
73.545
1.00
79.06
D

ATOM
3604
CA
VAL
D
86
72.966
120.214
74.070
1.00
78.82
D

ATOM
3605
CB
VAL
D
86
72.922
120.267
75.627
1.00
77.98
D

ATOM
3606
CG1
VAL
D
86
73.418
121.611
76.123
1.00
76.13
D

ATOM
3607
CG2
VAL
D
86
71.506
120.001
76.118
1.00
77.42
D

ATOM
3608
C
VAL
D
86
74.421
120.380
73.600
1.00
79.25
D

ATOM
3609
O
VAL
D
86
75.358
119.942
74.278
1.00
79.57
D

ATOM
3610
N
ASP
D
87
74.600
121.000
72.437
1.00
78.86
D

ATOM
3611
CA
ASP
D
87
75.927
121.185
71.873
1.00
78.79
D

ATOM
3612
CB
ASP
D
87
75.917
120.955
70.363
1.00
79.00
D

ATOM
3613
CG
ASP
D
87
77.305
120.821
69.793
1.00
78.80
D

ATOM
3614
OD1
ASP
D
87
78.237
121.348
70.413
1.00
78.79
D

ATOM
3615
OD2
ASP
D
87
77.469
120.197
68.725
1.00
79.28
D

ATOM
3616
C
ASP
D
87
76.483
122.556
72.122
1.00
78.99
D

ATOM
3617
O
ASP
D
87
76.040
123.537
71.520
1.00
78.60
D

ATOM
3618
N
LEU
D
88
77.490
122.613
72.983
1.00
79.67
D

ATOM
3619
CA
LEU
D
88
78.142
123.875
73.300
1.00
80.27
D

ATOM
3620
CB
LEU
D
88
78.428
123.936
74.794
1.00
79.99
D

ATOM
3621
CG
LEU
D
88
77.218
124.536
75.513
1.00
80.38
D

ATOM
3622
CD1
LEU
D
88
77.414
124.542
77.017
1.00
80.83
D

ATOM
3623
CD2
LEU
D
88
77.011
125.965
74.994
1.00
80.71
D

ATOM
3624
C
LEU
D
88
79.416
124.209
72.503
1.00
80.19
D

ATOM
3625
O
LEU
D
88
79.774
125.375
72.381
1.00
80.33
D

ATOM
3626
N
GLU
D
89
80.079
123.196
71.952
1.00
80.52
D

ATOM
3627
CA
GLU
D
89
81.311
123.383
71.178
1.00
80.73
D

ATOM
3628
CB
GLU
D
89
82.034
122.036
71.047
1.00
82.50
D

ATOM
3629
CG
GLU
D
89
82.247
121.327
72.412
1.00
86.00
D

ATOM
3630
CD
GLU
D
89
82.618
119.838
72.292
1.00
88.55
D

ATOM
3631
OE1
GLU
D
89
81.783
119.022
71.796
1.00
89.52
D

ATOM
3632
OE2
GLU
D
89
83.755
119.488
72.698
1.00
89.79
D

ATOM
3633
C
GLU
D
89
81.008
123.968
69.800
1.00
79.69
D

ATOM
3634
O
GLU
D
89
81.196
125.150
69.569
1.00
79.11
D

ATOM
3635
N
ARG
D
90
80.545
123.121
68.894
1.00
78.91
D

ATOM
3636
CA
ARG
D
90
80.169
123.505
67.538
1.00
78.33
D

ATOM
3637
CB
ARG
D
90
78.707
123.133
67.321
1.00
77.44
D

ATOM
3638
CG
ARG
D
90
78.128
123.714
66.082
1.00
76.98
D

ATOM
3639
CD
ARG
D
90
76.939
122.937
65.678
1.00
77.57
D

ATOM
3640
NE
ARG
D
90
76.359
123.489
64.466
1.00
78.58
D

ATOM
3641
CZ
ARG
D
90
75.488
122.842
63.706
1.00
79.19
D

ATOM
3642
NH1
ARG
D
90
75.105
121.609
64.041
1.00
79.71
D

ATOM
3643
NH2
ARG
D
90
74.995
123.434
62.625
1.00
79.28
D

ATOM
3644
C
ARG
D
90
80.395
124.958
67.083
1.00
78.13
D

ATOM
3645
O
ARG
D
90
80.971
125.202
66.020
1.00
78.14
D

ATOM
3646
N
GLU
D
91
79.892
125.909
67.860
1.00
77.91
D

ATOM
3647
CA
GLU
D
91
80.035
127.332
67.565
1.00
77.60
D

ATOM
3648
CB
GLU
D
91
78.921
127.805
66.631
1.00
76.44
D

ATOM
3649
CG
GLU
D
91
78.967
129.284
66.309
1.00
76.02
D

ATOM
3650
CD
GLU
D
91
78.237
129.586
65.026
1.00
76.63
D

ATOM
3651
OE1
GLU
D
91
78.004
130.781
64.721
1.00
76.32
D

ATOM
3652
OE2
GLU
D
91
77.903
128.609
64.315
1.00
76.76
D

ATOM
3653
C
GLU
D
91
79.978
128.062
68.917
1.00
78.28
D

ATOM
3654
O
GLU
D
91
79.152
127.745
69.778
1.00
78.42
D

ATOM
3655
N
ALA
D
92
80.874
129.022
69.128
1.00
78.46
D

ATOM
3656
CA
ALA
D
92
80.898
129.723
70.403
1.00
77.60
D

ATOM
3657
CB
ALA
D
92
82.302
130.199
70.726
1.00
77.77
D

ATOM
3658
C
ALA
D
92
79.952
130.899
70.364
1.00
77.52
D

ATOM
3659
O
ALA
D
92
79.650
131.448
69.283
1.00
76.69
D

ATOM
3660
N
GLY
D
93
79.498
131.283
71.561
1.00
76.87
D

ATOM
3661
CA
GLY
D
93
78.556
132.390
71.686
1.00
76.45
D

ATOM
3662
C
GLY
D
93
77.086
131.956
71.562
1.00
76.07
D

ATOM
3663
O
GLY
D
93
76.151
132.733
71.887
1.00
76.41
D

ATOM
3664
N
LYS
D
94
76.889
130.719
71.084
1.00
73.97
D

ATOM
3665
CA
LYS
D
94
75.567
130.160
70.904
1.00
71.80
D

ATOM
3666
CB
LYS
D
94
75.041
130.541
69.519
1.00
71.38
D

ATOM
3667
CG
LYS
D
94
76.001
130.294
68.408
1.00
70.71
D

ATOM
3668
CD
LYS
D
94
75.567
131.056
67.176
1.00
70.61
D

ATOM
3669
CE
LYS
D
94
74.795
130.164
66.219
1.00
71.83
D

ATOM
3670
NZ
LYS
D
94
74.620
130.771
64.820
1.00
72.10
D

ATOM
3671
C
LYS
D
94
75.506
128.641
71.100
1.00
70.46
D

ATOM
3672
O
LYS
D
94
76.472
127.922
70.815
1.00
70.79
D

ATOM
3673
N
VAL
D
95
74.366
128.166
71.605
1.00
67.61
D

ATOM
3674
CA
VAL
D
95
74.164
126.745
71.820
1.00
65.02
D

ATOM
3675
CB
VAL
D
95
73.567
126.469
73.200
1.00
64.30
D

ATOM
3676
CG1
VAL
D
95
72.159
127.010
73.265
1.00
64.40
D

ATOM
3677
CG2
VAL
D
95
73.582
124.989
73.493
1.00
63.25
D

ATOM
3678
C
VAL
D
95
73.239
126.144
70.749
1.00
63.66
D

ATOM
3679
O
VAL
D
95
72.332
126.794
70.242
1.00
64.34
D

ATOM
3680
N
TYR
D
96
73.506
124.902
70.378
1.00
61.32
D

ATOM
3681
CA
TYR
D
96
72.695
124.227
69.402
1.00
59.10
D

ATOM
3682
CB
TYR
D
96
73.571
123.596
68.356
1.00
58.32
D

ATOM
3683
CG
TYR
D
96
73.911
124.577
67.284
1.00
57.24
D

ATOM
3684
CD1
TYR
D
96
74.660
125.724
67.571
1.00
57.36
D

ATOM
3685
CE1
TYR
D
96
74.965
126.670
66.564
1.00
57.26
D

ATOM
3686
CD2
TYR
D
96
73.471
124.377
65.978
1.00
56.60
D

ATOM
3687
CE2
TYR
D
96
73.763
125.300
64.973
1.00
56.83
D

ATOM
3688
CZ
TYR
D
96
74.500
126.451
65.270
1.00
56.39
D

ATOM
3689
OH
TYR
D
96
74.666
127.406
64.286
1.00
56.32
D

ATOM
3690
C
TYR
D
96
71.917
123.184
70.150
1.00
57.88
D

ATOM
3691
O
TYR
D
96
72.486
122.394
70.908
1.00
57.88
P

ATOM
3692
N
LEU
D
97
70.608
123.175
69.950
1.00
56.44
D

ATOM
3693
CA
LEU
D
97
69.788
122.220
70.683
1.00
54.85
D

ATOM
3694
CB
LEU
D
97
68.862
122.982
71.602
1.00
54.20
D

ATOM
3695
CG
LEU
D
97
69.621
123.938
72.487
1.00
53.28
D

ATOM
3696
CD1
LEU
D
97
68.759
125.128
72.744
1.00
53.40
D

ATOM
3697
CD2
LEU
D
97
70.016
123.241
73.765
1.00
52.86
D

ATOM
3698
C
LEU
D
97
68.975
121.284
69.815
1.00
53.32
D

ATOM
3699
O
LEU
D
97
68.716
121.559
68.647
1.00
52.62
D

ATOM
3700
N
LYS
D
98
68.572
120.177
70.415
1.00
51.98
D

ATOM
3701
CA
LYS
D
98
67.764
119.176
69.732
1.00
51.09
D

ATOM
3702
CB
LYS
D
98
68.679
118.069
69.197
1.00
53.07
D

ATOM
3703
CG
LYS
D
98
68.051
117.068
68.213
1.00
55.64
D

ATOM
3704
CD
LYS
D
98
69.002
115.851
67.995
1.00
57.58
D

ATOM
3705
CE
LYS
D
98
68.306
114.789
67.147
1.00
59.64
D

ATOM
3706
NZ
LYS
D
98
68.923
113.436
67.276
1.00
60.87
D

ATOM
3707
C
LYS
D
98
66.765
118.619
70.778
1.00
48.82
D

ATOM
3708
O
LYS
D
98
67.154
118.216
71.888
1.00
46.45
D

ATOM
3709
N
ALA
D
99
65.471
118.626
70.441
1.00
47.03
D

ATOM
3710
CA
ALA
D
99
64.468
118.113
71.375
1.00
43.93
D

ATOM
3711
CB
ALA
D
99
63.922
119.229
72.192
1.00
44.05
D

ATOM
3712
C
ALA
D
99
63.344
117.389
70.692
1.00
42.49
D

ATOM
3713
O
ALA
D
99
62.574
117.969
69.919
1.00
43.23
D

ATOM
3714
N
PRO
D
100
63.253
116.084
70.927
1.00
41.88
D

ATOM
3715
CD
PRO
D
100
64.191
115.230
71.678
1.00
41.19
D

ATOM
3716
CA
PRO
D
100
62.179
115.288
70.313
1.00
41.25
D

ATOM
3717
CB
PRO
D
100
62.761
113.889
70.315
1.00
39.88
D

ATOM
3718
CG
PRO
D
100
63.515
113.880
71.621
1.00
40.93
D

ATOM
3719
C
PRO
D
100
60.929
115.398
71.210
1.00
40.41
D

ATOM
3720
O
PRO
D
100
61.083
115.567
72.433
1.00
40.22
D

ATOM
3721
N
MET
D
101
59.731
115.362
70.603
1.00
39.05
D

ATOM
3722
CA
MET
D
101
58.444
115.400
71.329
1.00
38.66
D

ATOM
3723
CB
MET
D
101
58.108
116.814
71.796
1.00
38.99
D

ATOM
3724
CG
MET
D
101
57.482
117.688
70.709
1.00
39.81
D

ATOM
3725
SD
MET
D
101
58.165
119.389
70.749
1.00
46.04
D

ATOM
3726
CE
MET
D
101
56.836
120.270
70.586
1.00
44.57
D

ATOM
3727
C
MET
D
101
57.322
114.965
70.393
1.00
38.30
D

ATOM
3728
O
MET
D
101
57.567
114.828
69.192
1.00
38.66
D

ATOM
3729
N
ILE
D
102
56.113
114.725
70.934
1.00
36.58
D

ATOM
3730
CA
ILE
D
102
54.984
114.425
70.077
1.00
35.93
D

ATOM
3731
CB
ILE
D
102
54.156
113.269
70.521
1.00
35.38
D

ATOM
3732
CG2
ILE
D
102
53.008
113.111
69.543
1.00
35.07
D

ATOM
3733
CG1
ILE
D
102
54.989
112.005
70.519
1.00
34.18
D

ATOM
3734
CD1
ILE
D
102
54.196
110.762
70.679
1.00
35.31
D

ATOM
3735
C
ILE
D
102
54.108
115.634
70.113
1.00
35.88
D

ATOM
3736
O
ILE
D
102
53.423
115.862
71.081
1.00
37.93
D

ATOM
3737
N
LEU
D
103
54.135
116.417
69.048
1.00
36.79
D

ATOM
3738
CA
LEU
D
103
53.367
117.664
68.925
1.00
36.91
D

ATOM
3739
CB
LEU
D
103
54.273
118.700
68.253
1.00
36.47
D

ATOM
3740
CG
LEU
D
103
53.764
120.089
67.945
1.00
36.59
D

ATOM
3741
CD1
LEU
D
103
53.300
120.673
69.197
1.00
36.58
D

ATOM
3742
CD2
LEU
D
103
54.880
120.939
67.346
1.00
35.48
D

ATOM
3743
C
LEU
D
103
52.035
117.501
68.131
1.00
36.66
D

ATOM
3744
O
LEU
D
103
52.054
117.250
66.907
1.00
36.75
D

ATOM
3745
N
ASN
D
104
50.889
117.659
68.807
1.00
35.94
D

ATOM
3746
CA
ASN
D
104
49.584
117.489
68.172
1.00
34.59
D

ATOM
3747
CB
ASN
D
104
49.247
118.622
67.185
1.00
34.05
D

ATOM
3748
CG
ASN
D
104
49.043
119.948
67.864
1.00
35.09
D

ATOM
3749
OD1
ASN
D
104
48.818
120.016
69.062
1.00
37.53
D

ATOM
3750
ND2
ASN
D
104
49.128
121.022
67.099
1.00
35.92
D

ATOM
3751
C
ASN
D
104
49.513
116.132
67.440
1.00
35.40
D

ATOM
3752
O
ASN
D
104
49.034
116.007
66.298
1.00
33.24
D

ATOM
3753
N
GLY
D
105
49.986
115.095
68.112
1.00
35.85
D

ATOM
3754
CA
GLY
D
105
49.913
113.779
67.528
1.00
37.38
D

ATOM
3755
C
GLY
D
105
50.935
113.406
66.460
1.00
39.75
D

ATOM
3756
O
GLY
D
105
50.785
112.345
65.806
1.00
40.32
D

ATOM
3757
N
VAL
D
106
51.946
114.236
66.213
1.00
38.67
D

ATOM
3758
CA
VAL
D
106
52.904
113.834
65.205
1.00
38.63
D

ATOM
3759
CB
VAL
D
106
52.752
114.681
63.909
1.00
39.72
D

ATOM
3760
CG1
VAL
D
106
51.665
115.703
64.080
1.00
36.79
D

ATOM
3761
CG2
VAL
D
106
54.094
115.280
63.498
1.00
38.14
D

ATOM
3762
C
VAL
D
106
54.305
113.912
65.782
1.00
38.76
D

ATOM
3763
O
VAL
D
106
54.650
114.855
66.449
1.00
39.58
D

ATOM
3764
N
CYS
D
107
55.105
112.886
65.577
1.00
38.67
D

ATOM
3765
CA
CYS
D
107
56.449
112.897
66.114
1.00
38.69
D

ATOM
3766
CB
CYS
D
107
57.050
111.505
66.048
1.00
39.37
D

ATOM
3767
SG
CYS
D
107
56.158
110.233
66.989
1.00
39.50
D

ATOM
3768
C
CYS
D
107
57.362
113.875
65.378
1.00
39.37
D

ATOM
3769
O
CYS
D
107
57.504
113.827
64.151
1.00
39.17
D

ATOM
3770
N
VAL
D
108
57.973
114.784
66.129
1.00
39.24
D

ATOM
3771
CA
VAL
D
108
58.838
115.761
65.518
1.00
39.79
D

ATOM
3772
CB
VAL
D
108
58.142
117.138
65.303
1.00
40.13
D

ATOM
3773
CG1
VAL
D
108
56.870
116.991
64.454
1.00
39.67
D

ATOM
3774
CG2
VAL
D
108
57.822
117.758
66.625
1.00
39.84
D

ATOM
3775
C
VAL
D
108
60.023
115.980
66.402
1.00
40.21
D

ATOM
3776
O
VAL
D
108
60.077
115.459
67.508
1.00
40.07
D

ATOM
3777
N
ILE
D
109
60.986
116.721
65.868
1.00
41.20
D

ATOM
3778
CA
ILE
D
109
62.197
117.070
66.576
1.00
42.21
D

ATOM
3779
CB
ILE
D
109
63.419
116.291
66.037
1.00
43.31
D

ATOM
3780
CG2
ILE
D
109
64.683
116.733
66.743
1.00
43.03
D

ATOM
3781
CG1
ILE
D
109
63.213
114.779
66.277
1.00
44.19
D

ATOM
3782
CD1
ILE
D
109
64.198
113.889
65.534
1.00
44.87
D

ATOM
3783
C
ILE
D
109
62.363
118.547
66.324
1.00
42.08
D

ATOM
3784
O
ILE
D
109
62.253
119.026
65.191
1.00
41.69
D

ATOM
3785
N
TRP
D
110
62.568
119.261
67.419
1.00
43.02
D

ATOM
3786
CA
TRP
D
110
62.766
120.700
67.414
1.00
44.70
D

ATOM
3787
CB
TRP
D
110
62.217
121.297
68.709
1.00
45.36
D

ATOM
3788
CG
TRP
D
110
62.324
122.797
68.765
1.00
46.52
D

ATOM
3789
CD2
TRP
D
110
63.462
123.574
69.173
1.00
46.82
D

ATOM
3790
CE2
TRP
D
110
63.131
124.933
68.975
1.00
47.69
D

ATOM
3791
CE3
TRP
D
110
64.729
123.255
69.675
1.00
46.95
D

ATOM
3792
CD1
TRP
D
110
61.387
123.687
68.357
1.00
46.85
D

ATOM
3793
NE1
TRP
D
110
61.856
124.969
68.477
1.00
47.30
D

ATOM
3794
CZ2
TRP
D
110
64.030
125.994
69.266
1.00
48.53
D

ATOM
3795
CZ3
TRP
D
110
65.632
124.305
69.966
1.00
48.31
D

ATOM
3796
CH2
TRP
D
110
65.273
125.661
69.758
1.00
48.04
D

ATOM
3797
C
TRP
D
110
64.270
120.922
67.362
1.00
45.41
D

ATOM
3798
O
TRP
D
110
65.019
120.405
68.210
1.00
44.36
D

ATOM
3799
N
LYS
D
111
64.713
121.673
66.363
1.00
47.07
D

ATOM
3800
CA
LYS
D
111
66.148
121.952
66.205
1.00
48.48
D

ATOM
3801
CB
LYS
D
111
66.709
121.271
64.973
1.00
50.21
D

ATOM
3802
CG
LYS
D
111
66.731
119.746
64.954
1.00
53.59
D

ATOM
3803
CD
LYS
D
111
67.299
119.352
63.586
1.00
57.44
D

ATOM
3804
CE
LYS
D
111
67.525
117.866
63.392
1.00
59.32
D

ATOM
3805
NZ
LYS
D
111
68.329
117.643
62.138
1.00
61.56
D

ATOM
3806
C
LYS
D
111
66.364
123.424
66.024
1.00
48.33
D

ATOM
3807
O
LYS
D
111
65.804
124.028
65.112
1.00
47.29
D

ATOM
3808
N
GLY
D
112
67.185
123.999
66.887
1.00
49.41
D

ATOM
3809
CA
GLY
D
112
67.479
125.417
66.800
1.00
50.62
D

ATOM
3810
C
GLY
D
112
68.730
125.773
67.582
1.00
51.94
D

ATOM
3811
O
GLY
D
112
69.293
124.952
68.329
1.00
52.74
D

ATOM
3812
N
TRP
D
113
69.181
127.008
67.409
1.00
52.98
D

ATOM
3813
CA
TRP
D
113
70.361
127.496
68.114
1.00
53.38
D

ATOM
3814
CB
TRP
D
113
71.551
127.736
67.157
1.00
51.47
D

ATOM
3815
CG
TRP
D
113
71.300
128.692
66.007
1.00
49.44
D

ATOM
3816
CD2
TRP
D
113
71.342
130.125
66.057
1.00
49.14
D

ATOM
3817
CE2
TRP
D
113
71.047
130.605
64.754
1.00
49.25
D

ATOM
3818
CE3
TRP
D
113
71.601
131.057
67.077
1.00
48.41
D

ATOM
3819
CD1
TRP
D
113
70.985
128.365
64.709
1.00
49.67
D

ATOM
3820
NE1
TRP
D
113
70.832
129.515
63.945
1.00
49.75
D

ATOM
3821
CZ2
TRP
D
113
71.008
131.968
64.454
1.00
48.76
D

ATOM
3822
CZ3
TRP
D
113
71.560
132.419
66.773
1.00
46.84
D

ATOM
3823
CH2
TRP
D
113
71.267
132.861
65.482
1.00
47.81
D

ATOM
3824
C
TRP
D
113
69.980
128.798
68.797
1.00
55.10
D

ATOM
3825
O
TRP
D
113
69.026
129.493
68.388
1.00
54.83
D

ATOM
3826
N
ILE
D
114
70.736
129.121
69.834
1.00
56.77
D

ATOM
3827
CA
ILE
D
114
70.495
130.319
70.577
1.00
59.23
D

ATOM
3828
CB
ILE
D
114
69.638
129.978
71.828
1.00
59.05
D

ATOM
3829
CG2
ILE
D
114
69.869
130.968
72.964
1.00
57.50
D

ATOM
3830
CG1
ILE
D
114
68.171
129.960
71.416
1.00
59.07
D

ATOM
3831
CD1
ILE
D
114
67.342
129.267
72.424
1.00
60.09
D

ATOM
3832
C
ILE
D
114
71.805
130.998
70.951
1.00
61.18
D

ATOM
3833
O
ILE
D
114
72.760
130.340
71.376
1.00
61.11
D

ATOM
3834
N
ASP
D
115
71.824
132.319
70.758
1.00
62.88
D

ATOM
3835
CA
ASP
D
115
72.945
133.182
71.089
1.00
64.33
D

ATOM
3836
CB
ASP
D
115
72.649
134.555
70.531
1.00
65.15
D

ATOM
3837
CG
ASP
D
115
73.703
135.599
70.899
1.00
66.77
D

ATOM
3838
OD1
ASP
D
115
74.080
135.727
72.106
1.00
64.98
D

ATOM
3839
OD2
ASP
D
115
74.122
136.314
69.937
1.00
68.08
D

ATOM
3840
C
ASP
D
115
72.959
133.266
72.606
1.00
65.49
D

ATOM
3841
O
ASP
D
115
72.056
133.892
73.177
1.00
66.63
D

ATOM
3842
N
LEU
D
116
73.952
132.672
73.272
1.00
65.82
D

ATOM
3843
CA
LEU
D
116
73.995
132.713
74.736
1.00
66.06
D

ATOM
3844
CB
LEU
D
116
75.183
131.910
75.227
1.00
66.26
D

ATOM
3845
CG
LEU
D
116
75.210
130.463
74.725
1.00
67.03
D

ATOM
3846
CD1
LEU
D
116
76.645
129.972
74.667
1.00
66.30
D

ATOM
3847
CD2
LEU
D
116
74.369
129.582
75.631
1.00
65.55
D

ATOM
3848
C
LEU
D
116
74.034
134.134
75.336
1.00
66.81
D

ATOM
3849
O
LEU
D
116
73.951
134.317
76.551
1.00
65.90
D

ATOM
3850
N
GLN
D
117
74.138
135.142
74.480
1.00
67.97
D

ATOM
3851
CA
GLN
D
117
74.185
136.509
74.954
1.00
69.40
D

ATOM
3852
CB
GLN
D
117
75.396
137.227
74.324
1.00
72.09
D

ATOM
3853
CG
GLN
D
117
75.783
138.546
75.006
1.00
75.66
D

ATOM
3854
CD
GLN
D
117
75.093
139.767
74.374
1.00
77.82
D

ATOM
3855
OE1
GLN
D
117
75.684
140.452
73.523
1.00
78.95
D

ATOM
3856
NE2
GLN
D
117
73.834
140.036
74.778
1.00
77.92
D

ATOM
3857
C
GLN
D
117
72.873
137.258
74.657
1.00
69.01
D

ATOM
3858
O
GLN
D
117
72.321
137.900
75.544
1.00
69.68
D

ATOM
3859
N
ARG
D
118
72.361
137.202
73.431
1.00
67.58
D

ATOM
3860
CA
ARG
D
118
71.096
137.892
73.155
1.00
66.55
D

ATOM
3861
CB
ARG
D
118
70.899
138.060
71.655
1.00
67.41
D

ATOM
3862
CG
ARG
D
118
72.154
138.378
70.871
1.00
68.99
D

ATOM
3863
CD
ARG
D
118
71.787
138.632
69.420
1.00
69.45
D

ATOM
3864
NE
ARG
D
118
70.734
139.638
69.388
1.00
70.64
D

ATOM
3865
CZ
ARG
D
118
70.129
140.073
68.289
1.00
71.88
D

ATOM
3866
NH1
ARG
D
118
70.474
139.596
67.094
1.00
72.20
D

ATOM
3867
NH2
ARG
D
118
69.159
140.980
68.392
1.00
71.77
D

ATOM
3868
C
ARG
D
118
69.907
137.075
73.712
1.00
65.76
D

ATOM
3869
O
ARG
D
118
68.883
137.627
74.133
1.00
65.16
D

ATOM
3870
N
LEU
D
119
70.067
135.750
73.730
1.00
64.24
D

ATOM
3871
CA
LEU
D
119
69.014
134.841
74.188
1.00
62.55
D

ATOM
3872
CB
LEU
D
119
68.456
135.301
75.541
1.00
60.51
D

ATOM
3873
CG
LEU
D
119
69.428
135.069
76.695
1.00
59.42
D

ATOM
3874
CD1
LEU
D
119
68.740
135.396
77.978
1.00
57.96
D

ATOM
3875
CD2
LEU
D
119
69.914
133.632
76.710
1.00
58.74
D

ATOM
3876
C
LEU
D
119
67.870
134.639
73.147
1.00
62.42
D

ATOM
3877
O
LEU
D
119
66.728
134.328
73.514
1.00
62.62
D

ATOM
3878
N
ASP
D
120
68.189
134.820
71.858
1.00
61.13
D

ATOM
3879
CA
ASP
D
120
67.242
134.598
70.764
1.00
60.12
D

ATOM
3880
CB
ASP
D
120
66.717
135.915
70.198
1.00
60.18
D

ATOM
3881
CG
ASP
D
120
67.795
136.774
69.606
1.00
60.92
D

ATOM
3882
OD1
ASP
D
120
68.983
136.400
69.691
1.00
62.58
D

ATOM
3883
OD2
ASP
D
120
67.446
137.835
69.053
1.00
60.11
D

ATOM
3884
C
ASP
D
120
67.948
133.781
69.673
1.00
59.64
D

ATOM
3885
O
ASP
D
120
69.088
133.363
69.858
1.00
60.07
D

ATOM
3886
N
GLY
D
121
67.295
133.518
68.550
1.00
57.93
D

ATOM
3887
CA
GLY
D
121
67.981
132.725
67.564
1.00
56.32
D

ATOM
3888
C
GLY
D
121
67.163
132.281
66.386
1.00
56.51
D

ATOM
3889
O
GLY
D
121
66.390
133.052
65.808
1.00
56.18
D

ATOM
3890
N
MET
D
122
67.378
131.028
66.002
1.00
56.17
D

ATOM
3891
CA
MET
D
122
66.649
130.432
64.896
1.00
56.11
D

ATOM
3892
CB
MET
D
122
67.444
130.534
63.592
1.00
56.16
D

ATOM
3893
CG
MET
D
122
67.753
131.948
63.150
1.00
55.48
D

ATOM
3894
SD
MET
D
122
66.293
132.857
62.749
1.00
56.32
D

ATOM
3895
CE
MET
D
122
66.127
132.533
60.989
1.00
55.29
D

ATOM
3896
C
MET
D
122
66.389
128.968
65.221
1.00
56.12
D

ATOM
3897
O
MET
D
122
67.128
128.331
65.975
1.00
56.24
D

ATOM
3898
N
GLY
D
123
65.315
128.442
64.658
1.00
55.47
D

ATOM
3899
CA
GLY
D
123
64.982
127.053
64.887
1.00
53.89
D

ATOM
3900
C
GLY
D
123
63.785
126.652
64.047
1.00
52.30
D

ATOM
3901
O
GLY
D
123
63.153
127.477
63.403
1.00
52.34
D

ATOM
3902
N
CYS
D
124
63.471
125.378
64.044
1.00
50.70
D

ATOM
3903
CA
CYS
D
124
62.348
124.955
63.274
1.00
50.30
D

ATOM
3904
CB
CYS
D
124
62.700
124.918
61.791
1.00
50.59
D

ATOM
3905
SG
CYS
D
124
63.862
123.596
61.432
1.00
49.58
D

ATOM
3906
C
CYS
D
124
61.988
123.579
63.756
1.00
50.04
D

ATOM
3907
O
CYS
D
124
62.656
122.993
64.611
1.00
50.95
D

ATOM
3908
N
LEU
D
125
60.921
123.069
63.188
1.00
49.42
D

ATOM
3909
CA
LEU
D
125
60.407
121.788
63.549
1.00
49.28
D

ATOM
3910
CB
LEU
D
125
58.890
121.921
63.687
1.00
48.02
D

ATOM
3911
CG
LEU
D
125
58.249
121.678
65.051
1.00
46.05
D

ATOM
3912
CD1
LEU
D
125
59.031
122.326
66.151
1.00
44.89
D

ATOM
3913
CD2
LEU
D
125
56.844
122.187
65.014
1.00
44.10
D

ATOM
3914
C
LEU
D
125
60.778
120.899
62.403
1.00
49.88
D

ATOM
3915
O
LEU
D
125
60.735
121.331
61.263
1.00
48.86
D

ATOM
3916
N
GLU
D
126
61.129
119.656
62.712
1.00
51.42
D

ATOM
3917
CA
GLU
D
126
61.540
118.668
61.700
1.00
52.92
D

ATOM
3918
CB
GLU
D
126
63.032
118.398
61.903
1.00
53.96
D

ATOM
3919
CG
GLU
D
126
63.851
118.299
60.659
1.00
57.77
D

ATOM
3920
CD
GLU
D
126
65.311
117.962
60.982
1.00
60.55
D

ATOM
3921
OE1
GLU
D
126
65.576
116.882
61.582
1.00
61.17
D

ATOM
3922
OE2
GLU
D
126
66.196
118.781
60.635
1.00
61.86
D

ATOM
3923
C
GLU
D
126
60.737
117.362
61.887
1.00
52.54
D

ATOM
3924
O
GLU
D
126
60.590
116.878
63.026
1.00
53.05
D

ATOM
3925
N
PHE
D
127
60.209
116.777
60.814
1.00
51.50
D

ATOM
3926
CA
PHE
D
127
59.457
115.538
60.995
1.00
50.28
D

ATOM
3927
CB
PHE
D
127
58.793
115.098
59.702
1.00
49.80
D

ATOM
3928
CG
PHE
D
127
57.949
113.838
59.833
1.00
51.81
D

ATOM
3929
CD1
PHE
D
127
56.790
113.825
60.628
1.00
52.34
D

ATOM
3930
CD2
PHE
D
127
58.256
112.692
59.109
1.00
51.72
D

ATOM
3931
CE1
PHE
D
127
55.938
112.678
60.685
1.00
52.37
D

ATOM
3932
CE2
PHE
D
127
57.422
111.564
59.164
1.00
53.14
D

ATOM
3933
CZ
PHE
D
127
56.249
111.566
59.962
1.00
52.65
D

ATOM
3934
C
PHE
D
127
60.403
114.450
61.479
1.00
49.74
D

ATOM
3935
O
PHE
D
127
61.443
114.255
60.898
1.00
48.89
D

ATOM
3936
N
ASP
D
128
60.063
113.765
62.563
1.00
49.96
D

ATOM
3937
CA
ASP
D
128
60.915
112.707
63.048
1.00
51.36
D

ATOM
3938
CB
ASP
D
128
60.904
112.706
64.551
1.00
50.76
D

ATOM
3939
CG
ASP
D
128
61.842
111.697
65.118
1.00
51.02
D

ATOM
3940
OD1
ASP
D
128
62.197
110.759
64.352
1.00
50.60
D

ATOM
3941
OD2
ASP
D
128
62.206
111.838
66.313
1.00
50.83
D

ATOM
3942
C
ASP
D
128
60.443
111.346
62.524
1.00
52.78
D

ATOM
3943
O
ASP
D
128
59.830
110.577
63.250
1.00
52.61
D

ATOM
3944
N
GLU
D
129
60.762
111.033
61.270
1.00
54.48
D

ATOM
3945
CA
GLU
D
129
60.284
109.787
60.694
1.00
56.11
D

ATOM
3946
CB
GLU
D
129
60.655
109.631
59.192
1.00
56.77
D

ATOM
3947
CG
GLU
D
129
62.110
109.268
58.776
1.00
58.52
D

ATOM
3948
CD
GLU
D
129
62.522
107.769
59.006
1.00
60.92
D

ATOM
3949
OE1
GLU
D
129
61.647
106.846
58.957
1.00
59.33
D

ATOM
3950
OE2
GLU
D
129
63.756
107.517
59.216
1.00
61.86
D

ATOM
3951
C
GLU
D
129
60.687
108.560
61.462
1.00
57.36
D

ATOM
3952
O
GLU
D
129
59.920
107.596
61.495
1.00
55.86
D

ATOM
3953
N
GLU
D
130
61.859
108.570
62.101
1.00
59.40
D

ATOM
3954
CA
GLU
D
130
62.253
107.362
62.837
1.00
61.36
D

ATOM
3955
CB
GLU
D
130
63.630
107.545
63.514
1.00
64.81
D

ATOM
3956
CG
GLU
D
130
64.372
106.216
63.849
1.00
69.16
D

ATOM
3957
CD
GLU
D
130
65.888
106.410
64.172
1.00
72.56
D

ATOM
3958
OE1
GLU
D
130
66.239
106.837
65.318
1.00
73.36
D

ATOM
3959
OE2
GLU
D
130
66.729
106.138
63.265
1.00
72.98
D

ATOM
3960
C
GLU
D
130
61.143
107.035
63.862
1.00
61.09
D

ATOM
3961
O
GLU
D
130
60.506
105.973
63.751
1.00
60.57
D

ATOM
3962
N
ARG
D
131
60.891
107.966
64.805
1.00
60.99
D

ATOM
3963
CA
ARG
D
131
59.872
107.857
65.874
1.00
60.38
D

ATOM
3964
CB
ARG
D
131
59.847
109.138
66.701
1.00
60.16
D

ATOM
3965
CG
ARG
D
131
61.046
109.307
67.568
1.00
63.20
D

ATOM
3966
CD
ARG
D
131
60.878
108.486
68.823
1.00
66.58
D

ATOM
3967
NE
ARG
D
131
59.705
108.968
69.568
1.00
70.87
D

ATOM
3968
CZ
ARG
D
131
59.174
108.399
70.656
1.00
71.58
D

ATOM
3969
NH1
ARG
D
131
59.702
107.285
71.177
1.00
70.33
D

ATOM
3970
NH2
ARG
D
131
58.095
108.960
71.213
1.00
71.56
D

ATOM
3971
C
ARG
D
131
58.465
107.585
65.361
1.00
59.96
D

ATOM
3972
O
ARG
D
131
57.784
106.669
65.815
1.00
58.70
D

ATOM
3973
N
ALA
D
132
58.033
108.396
64.410
1.00
60.38
D

ATOM
3974
CA
ALA
D
132
56.700
108.244
63.858
1.00
62.37
D

ATOM
3975
CB
ALA
D
132
56.510
109.200
62.655
1.00
60.88
D

ATOM
3976
C
ALA
D
132
56.436
106.788
63.456
1.00
63.78
D

ATOM
3977
O
ALA
D
132
55.320
106.273
63.607
1.00
64.02
D

ATOM
3978
N
GLN
D
133
57.479
106.118
62.979
1.00
65.89
D

ATOM
3979
CA
GLN
D
133
57.374
104.735
62.537
1.00
67.56
D

ATOM
3980
CB
GLN
D
133
58.566
104.440
61.566
1.00
68.87
D

ATOM
3981
CG
GLN
D
133
59.366
103.149
61.749
1.00
72.49
D

ATOM
3982
CD
GLN
D
133
58.729
101.916
61.066
1.00
74.79
D

ATOM
3983
OE1
GLN
D
133
59.303
100.806
61.099
1.00
74.99
D

ATOM
3984
NE2
GLN
D
133
57.545
102.105
60.447
1.00
74.67
D

ATOM
3985
C
GLN
D
133
57.246
103.780
63.758
1.00
67.53
D

ATOM
3986
O
GLN
D
133
56.570
102.755
63.669
1.00
67.90
D

ATOM
3987
N
GLN
D
134
57.806
104.139
64.913
1.00
67.18
D

ATOM
3988
CA
GLN
D
134
57.697
103.278
66.091
1.00
67.12
D

ATOM
3989
CB
GLN
D
134
58.862
103.528
67.033
1.00
67.84
D

ATOM
3990
CG
GLN
D
134
60.220
103.343
66.389
1.00
70.77
D

ATOM
3991
CD
GLN
D
134
61.324
104.091
67.152
1.00
73.37
D

ATOM
3992
OE1
GLN
D
134
61.292
105.323
67.283
1.00
74.62
D

ATOM
3993
NE2
GLN
D
134
62.298
103.349
67.666
1.00
74.45
D

ATOM
3994
C
GLN
D
134
56.400
103.482
66.866
1.00
66.84
D

ATOM
3995
O
GLN
D
134
56.050
102.647
67.675
1.00
67.27
D

ATOM
3996
N
GLU
D
135
55.683
104.574
66.614
1.00
66.69
D

ATOM
3997
CA
GLU
D
135
54.442
104.882
67.346
1.00
66.72
D

ATOM
3998
CB
GLU
D
135
54.127
106.378
67.246
1.00
65.38
D

ATOM
3999
CG
GLU
D
135
54.918
107.263
68.197
1.00
63.42
D

ATOM
4000
CD
GLU
D
135
54.729
106.904
69.670
1.00
62.92
D

ATOM
4001
OE1
GLU
D
135
53.632
106.438
70.058
1.00
62.55
D

ATOM
4002
OE2
GLU
D
135
55.682
107.116
70.450
1.00
62.44
D

ATOM
4003
C
GLU
D
135
53.155
104.116
66.993
1.00
67.81
D

ATOM
4004
O
GLU
D
135
53.066
103.533
65.881
1.00
68.17
D

ATOM
4005
OXT
GLU
D
135
52.223
104.146
67.846
1.00
68.02
D

ATOM
4006
O5′
GUA
E
1
108.204
119.958
66.777
1.00
40.30
E

ATOM
4007
N9
GUA
E
1
111.377
118.617
65.300
1.00
37.33
E

ATOM
4008
C4
GUA
E
1
112.547
117.911
65.209
1.00
35.99
E

ATOM
4009
N3
GUA
E
1
113.768
118.439
65.229
1.00
35.17
E

ATOM
4010
C2
GUA
E
1
114.710
117.512
65.163
1.00
36.48
E

ATOM
4011
N2
GUA
E
1
115.997
117.884
65.203
1.00
34.15
E

ATOM
4012
N1
GUA
E
1
114.449
116.155
65.071
1.00
37.21
E

ATOM
4013
C6
GUA
E
1
113.166
115.594
65.088
1.00
37.34
E

ATOM
4014
O6
GUA
E
1
113.014
114.346
65.090
1.00
39.72
E

ATOM
4015
C5
GUA
E
1
112.181
116.579
65.141
1.00
36.58
E

ATOM
4016
N7
GUA
E
1
110.809
116.444
65.187
1.00
39.27
E

ATOM
4017
C8
GUA
E
1
110.366
117.681
65.288
1.00
38.81
E

ATOM
4018
C2′
GUA
E
1
110.149
120.789
64.594
1.00
34.59
E

ATOM
4019
C5′
GUA
E
1
108.749
121.004
67.510
1.00
34.75
E

ATOM
4020
C4′
GUA
E
1
110.039
121.486
66.882
1.00
36.71
E

ATOM
4021
O4′
GUA
E
1
111.014
120.399
66.759
1.00
36.47
E

ATOM
4022
C1′
GUA
E
1
111.246
120.070
65.395
1.00
35.89
E

ATOM
4023
C3′
GUA
E
1
109.899
122.029
65.448
1.00
34.34
E

ATOM
4024
O3′
GUA
E
1
110.895
123.068
65.351
1.00
33.29
E

ATOM
4025
P
THY
E
2
111.086
123.935
64.001
1.00
35.11
E

ATOM
4026
O1P
THY
E
2
110.173
123.371
62.984
1.00
35.85
E

ATOM
4027
O2P
THY
E
2
111.061
125.367
64.310
1.00
36.86
E

ATOM
4028
O5′
THY
E
2
112.598
123.757
63.599
1.00
31.62
E

ATOM
4029
N1
THY
E
2
114.311
119.406
61.824
1.00
33.66
E

ATOM
4030
C6
THY
E
2
112.954
119.314
61.897
1.00
33.97
E

ATOM
4031
C2
THY
E
2
115.089
118.313
61.673
1.00
34.31
E

ATOM
4032
O2
THY
E
2
116.309
118.389
61.660
1.00
35.94
E

ATOM
4033
N3
THY
E
2
114.415
117.126
61.558
1.00
34.58
E

ATOM
4034
C4
THY
E
2
113.074
116.934
61.630
1.00
35.15
E

ATOM
4035
O4
THY
E
2
112.621
115.785
61.568
1.00
37.29
E

ATOM
4036
C5
THY
E
2
112.293
118.153
61.811
1.00
35.27
E

ATOM
4037
C5A
THY
E
2
110.798
118.072
61.901
1.00
31.88
E

ATOM
4038
C2′
THY
E
2
114.521
121.819
60.997
1.00
33.91
E

ATOM
4039
C5′
THY
E
2
113.168
122.508
63.750
1.00
34.75
E

ATOM
4040
C4′
THY
E
2
114.582
122.516
63.263
1.00
34.85
E

ATOM
4041
O4′
THY
E
2
114.919
121.112
63.182
1.00
35.81
E

ATOM
4042
C1′
THY
E
2
115.022
120.681
61.878
1.00
34.33
E

ATOM
4043
C3′
THY
E
2
114.771
123.058
61.853
1.00
35.17
E

ATOM
4044
O3′
THY
E
2
116.090
123.641
61.776
1.00
35.62
E

ATOM
4045
P
THY
E
3
116.611
124.372
60.413
1.00
38.83
E

ATOM
4046
O1P
THY
E
3
115.533
124.376
59.396
1.00
37.67
E

ATOM
4047
O2P
THY
E
3
117.262
125.646
60.782
1.00
35.92
E

ATOM
4048
O5′
THY
E
3
117.715
123.353
59.864
1.00
36.83
E

ATOM
4049
N1
THY
E
3
116.477
118.659
58.098
1.00
40.74
E

ATOM
4050
C6
THY
E
3
115.265
119.304
58.092
1.00
39.04
E

ATOM
4051
C2
THY
E
3
116.556
117.279
58.202
1.00
40.40
E

ATOM
4052
O2
THY
E
3
117.633
116.676
58.213
1.00
41.55
E

ATOM
4053
N3
THY
E
3
115.343
116.637
58.277
1.00
37.75
E

ATOM
4054
C4
THY
E
3
114.098
117.223
58.239
1.00
38.86
E

ATOM
4055
O4
THY
E
3
113.073
116.526
58.295
1.00
39.60
E

ATOM
4056
C5
THY
E
3
114.094
118.667
58.136
1.00
38.93
E

ATOM
4057
C5A
THY
E
3
112.778
119.381
58.084
1.00
37.77
E

ATOM
4058
C2′
THY
E
3
117.721
120.631
57.079
1.00
40.67
E

ATOM
4059
C5′
THY
E
3
117.470
121.961
59.952
1.00
39.89
E

ATOM
4060
C4′
THY
E
3
118.554
121.198
59.244
1.00
41.27
E

ATOM
4061
O4′
THY
E
3
118.124
119.816
59.234
1.00
40.05
E

ATOM
4062
C1′
THY
E
3
117.753
119.396
57.954
1.00
39.78
E

ATOM
4063
C3′
THY
E
3
118.690
121.572
57.776
1.00
43.08
E

ATOM
4064
O3′
THY
E
3
120.060
121.547
57.320
1.00
46.62
E

ATOM
4065
P
GUA
E
4
120.379
121.875
55.778
1.00
50.54
E

ATOM
4066
O1P
GUA
E
4
119.136
122.179
54.971
1.00
46.71
E

ATOM
4067
O2P
GUA
E
4
121.506
122.796
55.781
1.00
49.34
E

ATOM
4068
O5′
GUA
E
4
120.865
120.454
55.282
1.00
49.82
E

ATOM
4069
N9
GUA
E
4
118.682
117.585
54.409
1.00
46.18
E

ATOM
4070
C4
GUA
E
4
117.716
116.583
54.557
1.00
43.57
E

ATOM
4071
N3
GUA
E
4
117.946
115.255
54.637
1.00
41.80
E

ATOM
4072
C2
GUA
E
4
116.812
114.563
54.705
1.00
41.88
E

ATOM
4073
N2
GUA
E
4
116.825
113.223
54.747
1.00
41.24
E

ATOM
4074
N1
GUA
E
4
115.565
115.127
54.728
1.00
41.44
E

ATOM
4075
C6
GUA
E
4
115.310
116.485
54.664
1.00
42.52
E

ATOM
4076
O6
GUA
E
4
114.148
116.880
54.697
1.00
42.40
E

ATOM
4077
C5
GUA
E
4
116.503
117.240
54.562
1.00
42.60
E

ATOM
4078
N7
GUA
E
4
116.683
118.606
54.439
1.00
44.80
E

ATOM
4079
C8
GUA
E
4
117.989
118.769
54.363
1.00
45.95
E

ATOM
4080
C2′
GUA
E
4
120.885
118.301
53.340
1.00
46.23
E

ATOM
4081
C5′
GUA
E
4
121.731
119.718
56.086
1.00
47.51
E

ATOM
4082
C4′
GUA
E
4
121.941
118.351
55.489
1.00
48.35
E

ATOM
4083
O4′
GUA
E
4
120.701
117.628
55.595
1.00
47.78
E

ATOM
4084
C1′
GUA
E
4
120.135
117.408
54.304
1.00
47.18
E

ATOM
4085
C3′
GUA
E
4
122.251
118.384
53.992
1.00
47.84
E

ATOM
4086
O3′
GUA
E
4
123.105
117.313
53.657
1.00
48.82
E

ATOM
4087
P
CYT
E
5
123.755
117.239
52.205
1.00
51.98
E

ATOM
4088
O1P
CYT
E
5
123.487
118.481
51.434
1.00
51.40
E

ATOM
4089
O2P
CYT
E
5
125.151
116.827
52.503
1.00
52.25
E

ATOM
4090
O5′
CYT
E
5
122.959
116.037
51.530
1.00
49.54
E

ATOM
4091
N1
CYT
E
5
118.672
115.266
50.773
1.00
44.13
E

ATOM
4092
C6
CYT
E
5
118.685
116.621
50.619
1.00
42.43
E

ATOM
4093
C2
CYT
E
5
117.480
114.614
51.156
1.00
42.08
E

ATOM
4094
O2
CYT
E
5
117.488
113.398
51.290
1.00
40.99
E

ATOM
4095
N3
CYT
E
5
116.356
115.337
51.362
1.00
40.49
E

ATOM
4096
C4
CYT
E
5
116.383
116.650
51.205
1.00
40.45
E

ATOM
4097
N4
CYT
E
5
115.266
117.307
51.402
1.00
40.76
E

ATOM
4098
C5
CYT
E
5
117.571
117.344
50.825
1.00
41.12
E

ATOM
4099
C2′
CYT
E
5
121.016
114.881
49.621
1.00
47.78
E

ATOM
4100
C5′
CYT
E
5
122.778
114.872
52.284
1.00
48.31
E

ATOM
4101
C4′
CYT
E
5
121.916
113.862
51.570
1.00
48.74
E

ATOM
4102
O4′
CYT
E
5
120.499
114.113
51.788
1.00
48.97
E

ATOM
4103
C1′
CYT
E
5
119.889
114.442
50.544
1.00
47.01
E

ATOM
4104
C3′
CYT
E
5
122.098
113.908
50.058
1.00
48.84
E

ATOM
4105
O3′
CYT
E
5
121.854
112.596
49.532
1.00
51.33
E

ATOM
4106
P
GUA
E
6
122.422
112.200
48.086
1.00
52.42
E

ATOM
4107
O1P
GUA
E
6
121.792
113.063
47.081
1.00
54.19
E

ATOM
4108
O2P
GUA
E
6
123.896
112.170
48.165
1.00
53.92
E

ATOM
4109
O5′
GUA
E
6
121.834
110.748
47.832
1.00
51.48
E

ATOM
4110
N9
GUA
E
6
117.810
111.270
47.814
1.00
51.17
E

ATOM
4111
C4
GUA
E
6
116.477
111.555
47.984
1.00
48.87
E

ATOM
4112
N3
GUA
E
6
115.486
110.666
48.148
1.00
49.21
E

ATOM
4113
C2
GUA
E
6
114.310
111.263
48.300
1.00
49.79
E

ATOM
4114
N2
GUA
E
6
113.181
110.543
48.465
1.00
49.22
E

ATOM
4115
N1
GUA
E
6
114.142
112.614
48.298
1.00
49.07
E

ATOM
4116
C6
GUA
E
6
115.157
113.528
48.125
1.00
49.70
E

ATOM
4117
O6
GUA
E
6
114.911
114.715
48.133
1.00
51.34
E

ATOM
4118
C5
GUA
E
6
116.394
112.915
47.958
1.00
49.64
E

ATOM
4119
N7
GUA
E
6
117.645
113.484
47.797
1.00
50.86
E

ATOM
4120
C8
GUA
E
6
118.455
112.473
47.724
1.00
51.45
E

ATOM
4121
C2′
GUA
E
6
119.416
109.796
46.564
1.00
52.27
E

ATOM
4122
C5′
GUA
E
6
121.570
109.879
48.900
1.00
51.53
E

ATOM
4123
C4′
GUA
E
6
120.381
108.996
48.582
1.00
52.78
E

ATOM
4124
O4′
GUA
E
6
119.135
109.656
48.909
1.00
52.56
E

ATOM
4125
C1′
GUA
E
6
118.427
109.949
47.705
1.00
52.26
E

ATOM
4126
C3′
GUA
E
6
120.264
108.660
47.093
1.00
53.40
E

ATOM
4127
O3′
GUA
E
6
119.496
107.459
46.958
1.00
54.45
E

ATOM
4128
P
GUA
E
7
119.382
106.711
45.526
1.00
55.30
E

ATOM
4129
O1P
GUA
E
7
119.320
107.683
44.427
1.00
54.94
E

ATOM
4130
O2P
GUA
E
7
120.433
105.653
45.503
1.00
57.67
E

ATOM
4131
O5′
GUA
E
7
117.943
106.058
45.643
1.00
52.72
E

ATOM
4132
N9
GUA
E
7
114.830
109.617
44.782
1.00
46.05
E

ATOM
4133
C4
GUA
E
7
113.922
110.630
44.844
1.00
44.11
E

ATOM
4134
N3
GUA
E
7
112.583
110.498
44.924
1.00
42.20
E

ATOM
4135
C2
GUA
E
7
111.978
111.678
44.913
1.00
41.66
E

ATOM
4136
N2
GUA
E
7
110.667
111.759
44.948
1.00
40.58
E

ATOM
4137
N1
GUA
E
7
112.627
112.881
44.856
1.00
42.07
E

ATOM
4138
C6
GUA
E
7
113.994
113.042
44.788
1.00
43.56
E

ATOM
4139
O6
GUA
E
7
114.470
114.166
44.749
1.00
45.17
E

ATOM
4140
C5
GUA
E
7
114.667
111.791
44.774
1.00
44.65
E

ATOM
4141
N7
GUA
E
7
116.023
111.504
44.708
1.00
45.17
E

ATOM
4142
C8
GUA
E
7
116.067
110.203
44.736
1.00
45.80
E

ATOM
4143
C2′
GUA
E
7
115.444
107.468
43.703
1.00
51.37
E

ATOM
4144
C5′
GUA
E
7
116.967
106.765
46.338
1.00
51.30
E

ATOM
4145
C4′
GUA
E
7
115.603
106.421
45.819
1.00
52.06
E

ATOM
4146
O4′
GUA
E
7
114.811
107.620
45.966
1.00
51.99
E

ATOM
4147
C1′
GUA
E
7
114.554
108.195
44.702
1.00
49.77
E

ATOM
4148
C3′
GUA
E
7
115.562
106.094
44.331
1.00
53.43
E

ATOM
4149
O3′
GUA
E
7
114.377
105.272
44.086
1.00
55.78
E

ATOM
4150
P
THY
E
8
114.029
104.729
42.581
1.00
56.78
E

ATOM
4151
O1P
THY
E
8
115.157
105.041
41.669
1.00
54.64
E

ATOM
4152
O2P
THY
E
8
113.532
103.354
42.714
1.00
58.16
E

ATOM
4153
O5′
THY
E
8
112.787
105.606
42.150
1.00
56.47
E

ATOM
4154
N1
THY
E
8
112.613
110.808
41.289
1.00
48.69
E

ATOM
4155
C6
THY
E
8
113.923
110.419
41.249
1.00
46.91
E

ATOM
4156
C2
THY
E
8
112.271
112.135
41.440
1.00
48.21
E

ATOM
4157
O2
THY
E
8
111.103
112.536
41.486
1.00
49.50
E

ATOM
4158
N3
THY
E
8
113.336
112.984
41.543
1.00
45.47
E

ATOM
4159
C4
THY
E
8
114.657
112.668
41.502
1.00
45.05
E

ATOM
4160
O4
THY
E
8
115.502
113.548
41.605
1.00
44.75
E

ATOM
4161
C5
THY
E
8
114.946
111.277
41.337
1.00
46.23
E

ATOM
4162
C5A
THY
E
8
116.373
110.853
41.261
1.00
44.33
E

ATOM
4163
C2′
THY
E
8
111.624
108.888
39.993
1.00
52.83
E

ATOM
4164
C5′
THY
E
8
112.877
107.019
42.220
1.00
55.81
E

ATOM
4165
C4′
THY
E
8
111.517
107.625
42.014
1.00
55.14
E

ATOM
4166
O4′
THY
E
8
111.615
109.029
42.360
1.00
53.89
E

ATOM
4167
C1′
THY
E
8
111.539
109.830
41.189
1.00
50.84
E

ATOM
4168
C3′
THY
E
8
111.071
107.586
40.548
1.00
54.85
E

ATOM
4169
O3′
THY
E
8
109.651
107.492
40.502
1.00
57.02
E

ATOM
4170
P
THY
E
9
108.896
107.207
39.105
1.00
59.12
E

ATOM
4171
O1P
THY
E
9
109.941
107.007
38.078
1.00
54.99
E

ATOM
4172
O2P
THY
E
9
107.802
106.177
39.356
1.00
59.06
E

ATOM
4173
O5′
THY
E
9
108.111
108.557
38.822
1.00
59.66
E

ATOM
4174
N1
THY
E
9
110.364
112.631
37.780
1.00
52.32
E

ATOM
4175
C6
THY
E
9
111.258
111.602
37.611
1.00
49.64
E

ATOM
4176
C2
THY
E
9
110.788
113.926
37.982
1.00
51.42
E

ATOM
4177
O2
THY
E
9
110.010
114.865
38.120
1.00
50.86
E

ATOM
4178
N3
THY
E
9
112.154
114.084
38.017
1.00
50.87
E

ATOM
4179
C4
THY
E
9
113.115
113.091
37.876
1.00
49.21
E

ATOM
4180
O4
THY
E
9
114.330
113.365
37.977
1.00
46.45
E

ATOM
4181
C5
THY
E
9
112.586
111.769
37.640
1.00
48.94
E

ATOM
4182
C5A
THY
E
9
113.551
110.652
37.436
1.00
47.63
E

ATOM
4183
C2′
THY
E
9
108.435
111.293
36.829
1.00
56.40
E

ATOM
4184
C5′
THY
E
9
108.461
109.740
39.527
1.00
59.72
E

ATOM
4185
C4′
THY
E
9
107.641
110.895
39.026
1.00
58.28
E

ATOM
4186
O4′
THY
E
9
108.515
112.046
39.074
1.00
56.24
E

ATOM
4187
C1′
THY
E
9
108.903
112.405
37.763
1.00
55.17
E

ATOM
4188
C3′
THY
E
9
107.244
110.727
37.562
1.00
58.18
E

ATOM
4189
O3′
THY
E
9
106.044
111.464
37.305
1.00
61.06
E

ATOM
4190
P
GUA
E
10
105.322
111.412
35.833
1.00
63.68
E

ATOM
4191
O1P
GUA
E
10
106.043
110.543
34.880
1.00
60.35
E

ATOM
4192
O2P
GUA
E
10
103.859
111.135
36.141
1.00
62.38
E

ATOM
4193
O5′
GUA
E
10
105.462
112.927
35.334
1.00
61.83
E

ATOM
4194
N9
GUA
E
10
108.312
115.202
34.491
1.00
50.74
E

ATOM
4195
C4
GUA
E
10
109.501
115.891
34.652
1.00
48.21
E

ATOM
4196
N3
GUA
E
10
109.660
117.233
34.686
1.00
48.49
E

ATOM
4197
C2
GUA
E
10
110.948
117.591
34.857
1.00
46.90
E

ATOM
4198
N2
GUA
E
10
111.298
118.899
34.938
1.00
45.76
E

ATOM
4199
N1
GUA
E
10
111.971
116.703
34.966
1.00
44.95
E

ATOM
4200
C6
GUA
E
10
111.824
115.323
34.942
1.00
47.20
E

ATOM
4201
O6
GUA
E
10
112.810
114.606
35.073
1.00
46.31
E

ATOM
4202
C5
GUA
E
10
110.465
114.927
34.767
1.00
47.40
E

ATOM
4203
N7
GUA
E
10
109.902
113.656
34.709
1.00
50.27
E

ATOM
4204
C8
GUA
E
10
108.618
113.874
34.564
1.00
50.64
E

ATOM
4205
C2′
GUA
E
10
106.125
114.848
33.376
1.00
56.61
E

ATOM
4206
C5′
GUA
E
10
104.964
113.989
36.152
1.00
60.56
E

ATOM
4207
C4′
GUA
E
10
105.024
115.298
35.407
1.00
58.95
E

ATOM
4208
O4′
GUA
E
10
106.364
115.829
35.489
1.00
58.06
E

ATOM
4209
C1′
GUA
E
10
106.997
115.745
34.245
1.00
53.76
E

ATOM
4210
C3′
GUA
E
10
104.745
115.141
33.916
1.00
58.06
E

ATOM
4211
O3′
GUA
E
10
104.364
116.389
33.272
1.00
58.47
E

ATOM
4212
O5′
CYT
F
1
119.350
120.486
36.060
1.00
56.04
F

ATOM
4213
N1
CYT
F
1
116.020
119.550
36.039
1.00
43.78
F

ATOM
4214
C6
CYT
F
1
117.000
118.649
36.338
1.00
41.77
F

ATOM
4215
C2
CYT
F
1
114.748
119.103
35.628
1.00
44.46
F

ATOM
4216
O2
CYT
F
1
113.857
119.930
35.358
1.00
45.95
F

ATOM
4217
N3
CYT
F
1
114.517
117.777
35.516
1.00
44.41
F

ATOM
4218
C4
CYT
F
1
115.487
116.910
35.789
1.00
43.40
F

ATOM
4219
N4
CYT
F
1
115.206
115.630
35.631
1.00
44.63
F

ATOM
4220
C5
CYT
F
1
116.781
117.327
36.228
1.00
41.50
F

ATOM
4221
C2′
CYT
F
1
117.109
121.486
37.273
1.00
46.79
F

ATOM
4222
C5′
CYT
F
1
119.415
121.528
35.089
1.00
52.32
F

ATOM
4223
C4′
CYT
F
1
118.095
122.249
35.238
1.00
51.35
F

ATOM
4224
O4′
CYT
F
1
116.987
121.351
34.919
1.00
50.23
F

ATOM
4225
C1′
CYT
F
1
116.272
120.988
36.105
1.00
46.19
F

ATOM
4226
C3′
CYT
F
1
117.843
122.687
36.681
1.00
48.80
F

ATOM
4227
O3′
CYT
F
1
117.070
123.910
36.619
1.00
49.85
F

ATOM
4228
P
ADE
F
2
116.772
124.786
37.963
1.00
48.88
F

ATOM
4229
O1P
ADE
F
2
117.852
124.618
38.936
1.00
46.61
F

ATOM
4230
O2P
ADE
F
2
116.506
126.146
37.362
1.00
49.56
F

ATOM
4231
O5′
ADE
F
2
115.413
124.156
38.539
1.00
45.15
F

ATOM
4232
N9
ADE
F
2
114.024
120.470
39.699
1.00
44.04
F

ATOM
4233
C4
ADE
F
2
113.530
119.260
39.297
1.00
42.59
F

ATOM
4234
N3
ADE
F
2
112.274
118.986
38.916
1.00
43.47
F

ATOM
4235
C2
ADE
F
2
112.147
117.701
38.569
1.00
42.92
F

ATOM
4236
N1
ADE
F
2
113.065
116.736
38.549
1.00
42.36
F

ATOM
4237
C6
ADE
F
2
114.330
117.044
38.927
1.00
42.82
F

ATOM
4238
N6
ADE
F
2
115.254
116.088
38.880
1.00
40.40
F

ATOM
4239
C5
ADE
F
2
114.591
118.382
39.345
1.00
43.31
F

ATOM
4240
N7
ADE
F
2
115.737
119.015
39.813
1.00
41.93
F

ATOM
4241
C8
ADE
F
2
115.348
120.245
40.011
1.00
43.96
F

ATOM
4242
C2′
ADE
F
2
113.704
122.876
40.588
1.00
43.64
F

ATOM
4243
C5′
ADE
F
2
114.230
124.310
37.778
1.00
44.39
F

ATOM
4244
C4′
ADE
F
2
113.038
123.670
38.443
1.00
45.04
F

ATOM
4245
O4′
ADE
F
2
113.101
122.217
38.402
1.00
45.64
F

ATOM
4246
C1′
ADE
F
2
113.240
121.714
39.733
1.00
44.50
F

ATOM
4247
C3′
ADE
F
2
112.959
124.014
39.924
1.00
43.54
F

ATOM
4248
O3′
ADE
F
2
111.591
124.029
40.322
1.00
42.75
F

ATOM
4249
P
ADE
F
3
111.125
125.082
41.422
1.00
43.07
F

ATOM
4250
O1P
ADE
F
3
112.293
125.170
42.346
1.00
41.00
F

ATOM
4251
O2P
ADE
F
3
110.616
126.303
40.758
1.00
44.81
F

ATOM
4252
O5′
ADE
F
3
109.934
124.322
42.090
1.00
39.17
F

ATOM
4253
N9
ADE
F
3
110.931
119.303
41.892
1.00
37.38
F

ATOM
4254
C4
ADE
F
3
111.325
118.003
41.756
1.00
37.30
F

ATOM
4255
N3
ADE
F
3
110.591
116.993
41.248
1.00
37.47
F

ATOM
4256
C2
ADE
F
3
111.281
115.879
41.278
1.00
36.21
F

ATOM
4257
N1
ADE
F
3
112.535
115.671
41.724
1.00
37.94
F

ATOM
4258
C6
ADE
F
3
113.254
116.699
42.222
1.00
34.83
F

ATOM
4259
N6
ADE
F
3
114.498
116.451
42.636
1.00
29.59
F

ATOM
4260
C5
ADE
F
3
112.624
117.946
42.252
1.00
36.24
F

ATOM
4261
N7
ADE
F
3
113.045
119.199
42.658
1.00
36.50
F

ATOM
4262
C8
ADE
F
3
112.016
119.969
42.408
1.00
37.37
F

ATOM
4263
C2′
ADE
F
3
109.103
120.005
43.034
1.00
38.45
F

ATOM
4264
C5′
ADE
F
3
110.147
123.007
42.505
1.00
38.89
F

ATOM
4265
C4′
ADE
F
3
109.072
122.151
41.917
1.00
38.50
F

ATOM
4266
O4′
ADE
F
3
109.742
121.135
41.091
1.00
36.78
F

ATOM
4267
C1′
ADE
F
3
109.603
119.829
41.644
1.00
35.83
F

ATOM
4268
C3′
ADE
F
3
108.451
121.349
43.032
1.00
37.95
F

ATOM
4269
O3′
ADE
F
3
107.152
121.532
43.498
1.00
40.03
F

ATOM
4270
P
CYT
F
4
106.880
121.376
45.084
1.00
39.01
F

ATOM
4271
O1P
CYT
F
4
108.140
121.756
45.771
1.00
36.65
F

ATOM
4272
O2P
CYT
F
4
105.615
122.096
45.377
1.00
39.29
F

ATOM
4273
O5′
CYT
F
4
106.585
119.819
45.250
1.00
37.97
F

ATOM
4274
N1
CYT
F
4
109.010
116.364
44.877
1.00
40.52
F

ATOM
4275
C6
CYT
F
4
109.621
117.556
45.140
1.00
39.78
F

ATOM
4276
C2
CYT
F
4
109.762
115.242
44.618
1.00
40.24
F

ATOM
4277
O2
CYT
F
4
109.178
114.193
44.281
1.00
41.34
F

ATOM
4278
N3
CYT
F
4
111.103
115.314
44.742
1.00
40.07
F

ATOM
4279
C4
CYT
F
4
111.683
116.455
45.099
1.00
39.41
F

ATOM
4280
N4
CYT
F
4
113.003
116.456
45.304
1.00
37.56
F

ATOM
4281
C5
CYT
F
4
110.939
117.638
45.279
1.00
39.55
F

ATOM
4282
C2′
CYT
F
4
107.007
116.868
46.235
1.00
42.10
F

ATOM
4283
C5′
CYT
F
4
106.045
119.137
44.132
1.00
40.14
F

ATOM
4284
C4′
CYT
F
4
105.793
117.664
44.373
1.00
41.36
F

ATOM
4285
O4′
CYT
F
4
106.951
116.895
43.915
1.00
39.45
F

ATOM
4286
C1′
CYT
F
4
107.551
116.228
44.980
1.00
39.38
F

ATOM
4287
C3′
CYT
F
4
105.624
117.299
45.835
1.00
41.80
F

ATOM
4288
O3′
CYT
F
4
104.680
116.295
46.085
1.00
46.11
F

ATOM
4289
P
CYT
F
5
104.296
115.931
47.620
1.00
52.17
F

ATOM
4290
O1P
CYT
F
5
104.861
117.012
48.499
1.00
50.87
F

ATOM
4291
O2P
CYT
F
5
102.850
115.569
47.692
1.00
49.75
F

ATOM
4292
O5′
CYT
F
5
105.125
114.603
47.927
1.00
50.70
F

ATOM
4293
N1
CYT
F
5
109.082
113.416
48.643
1.00
42.73
F

ATOM
4294
C6
CYT
F
5
108.916
114.775
48.760
1.00
41.17
F

ATOM
4295
C2
CYT
F
5
110.364
112.871
48.499
1.00
40.46
F

ATOM
4296
O2
CYT
F
5
110.486
111.651
48.406
1.00
38.48
F

ATOM
4297
N3
CYT
F
5
111.442
113.716
48.471
1.00
38.96
F

ATOM
4298
C4
CYT
F
5
111.259
115.043
48.592
1.00
36.76
F

ATOM
4299
N4
CYT
F
5
112.328
115.830
48.569
1.00
33.81
F

ATOM
4300
C5
CYT
F
5
109.967
115.614
48.740
1.00
37.82
F

ATOM
4301
C2′
CYT
F
5
106.799
112.772
49.643
1.00
46.97
F

ATOM
4302
C5′
CYT
F
5
105.189
113.604
46.950
1.00
48.60
F

ATOM
4303
C4′
CYT
F
5
105.878
112.368
47.464
1.00
48.82
F

ATOM
4304
O4′
CYT
F
5
107.327
112.535
47.353
1.00
48.88
F

ATOM
4305
C1′
CYT
F
5
107.928
112.512
48.654
1.00
45.33
F

ATOM
4306
C3′
CYT
F
5
105.618
112.089
48.954
1.00
49.22
F

ATOM
4307
O3′
CYT
F
5
105.524
110.657
49.187
1.00
52.62
F

ATOM
4308
P
GUA
F
6
104.788
110.074
50.519
1.00
56.66
F

ATOM
4309
O1P
GUA
F
6
104.243
111.195
51.337
1.00
56.04
F

ATOM
4310
O2P
GUA
F
6
103.915
108.930
50.167
1.00
57.78
F

ATOM
4311
O5′
GUA
F
6
106.015
109.523
51.327
1.00
55.45
F

ATOM
4312
N9
GUA
F
6
110.542
111.901
52.171
1.00
46.06
F

ATOM
4313
C4
GUA
F
6
111.792
112.401
51.937
1.00
42.47
F

ATOM
4314
N3
GUA
F
6
112.907
111.670
51.757
1.00
41.10
F

ATOM
4315
C2
GUA
F
6
113.964
112.438
51.563
1.00
41.59
F

ATOM
4316
N2
GUA
F
6
115.164
111.872
51.315
1.00
40.80
F

ATOM
4317
N1
GUA
F
6
113.930
113.828
51.588
1.00
40.51
F

ATOM
4318
C6
GUA
F
6
112.795
114.588
51.807
1.00
39.90
F

ATOM
4319
O6
GUA
F
6
112.883
115.799
51.852
1.00
40.19
F

ATOM
4320
C5
GUA
F
6
111.648
113.782
51.963
1.00
41.12
F

ATOM
4321
N7
GUA
F
6
110.319
114.138
52.153
1.00
40.58
F

ATOM
4322
C8
GUA
F
6
109.696
112.994
52.262
1.00
43.87
F

ATOM
4323
C2′
GUA
F
6
109.230
110.222
53.532
1.00
51.73
F

ATOM
4324
C5′
GUA
F
6
107.239
110.188
51.160
1.00
55.85
F

ATOM
4325
C4′
GUA
F
6
108.365
109.279
51.535
1.00
54.23
F

ATOM
4326
O4′
GUA
F
6
109.563
110.024
51.204
1.00
52.98
F

ATOM
4327
C1′
GUA
F
6
110.207
110.484
52.373
1.00
49.99
F

ATOM
4328
C3′
GUA
F
6
108.375
109.068
53.044
1.00
53.68
F

ATOM
4329
O3′
GUA
F
6
108.785
107.735
53.388
1.00
54.85
F

ATOM
4330
P
CYT
F
7
108.639
107.198
54.913
1.00
56.27
F

ATOM
4331
O1P
CYT
F
7
107.523
107.829
55.661
1.00
53.65
F

ATOM
4332
O2P
CYT
F
7
108.632
105.738
54.684
1.00
55.09
F

ATOM
4333
O5′
CYT
F
7
110.053
107.612
55.535
1.00
54.90
F

ATOM
4334
N1
CYT
F
7
112.488
111.340
55.846
1.00
54.11
F

ATOM
4335
C6
CYT
F
7
111.234
111.872
55.834
1.00
53.28
F

ATOM
4336
C2
CYT
F
7
113.592
112.131
55.536
1.00
54.09
F

ATOM
4337
O2
CYT
F
7
114.719
111.611
55.541
1.00
54.58
F

ATOM
4338
N3
CYT
F
7
113.418
113.436
55.253
1.00
53.81
F

ATOM
4339
C4
CYT
F
7
112.199
113.958
55.277
1.00
53.62
F

ATOM
4340
N4
CYT
F
7
112.086
115.260
55.013
1.00
53.83
F

ATOM
4341
C5
CYT
F
7
111.044
113.170
55.570
1.00
52.55
F

ATOM
4342
C2′
CYT
F
7
111.856
109.219
57.245
1.00
56.35
F

ATOM
4343
C5′
CYT
F
7
111.231
107.301
54.782
1.00
55.05
F

ATOM
4344
C4′
CYT
F
7
112.497
107.767
55.467
1.00
56.73
F

ATOM
4345
O4′
CYT
F
7
112.844
109.128
55.082
1.00
56.30
F

ATOM
4346
C1′
CYT
F
7
112.736
109.947
56.231
1.00
55.41
F

ATOM
4347
C3′
CYT
F
7
112.344
107.799
56.994
1.00
57.75
F

ATOM
4348
O3′
CYT
F
7
113.652
107.599
57.580
1.00
58.83
F

ATOM
4349
P
ADE
F
8
113.900
106.360
58.572
1.00
59.21
F

ATOM
4350
O1P
ADE
F
8
113.337
106.653
59.939
1.00
57.75
F

ATOM
4351
O2P
ADE
F
8
113.414
105.185
57.786
1.00
57.99
F

ATOM
4352
O5′
ADE
F
8
115.472
106.337
58.710
1.00
56.25
F

ATOM
4353
N9
ADE
F
8
116.111
110.019
59.004
1.00
50.03
F

ATOM
4354
C4
ADE
F
8
116.096
111.374
58.741
1.00
48.47
F

ATOM
4355
N3
ADE
F
8
117.118
112.148
58.335
1.00
47.78
F

ATOM
4356
C2
ADE
F
8
116.723
113.393
58.155
1.00
45.82
F

ATOM
4357
N1
ADE
F
8
115.510
113.921
58.305
1.00
45.91
F

ATOM
4358
C6
ADE
F
8
114.501
113.119
58.701
1.00
46.93
F

ATOM
4359
N6
ADE
F
8
113.283
113.629
58.820
1.00
44.82
F

ATOM
4360
C5
ADE
F
8
114.796
111.781
58.951
1.00
48.18
F

ATOM
4361
N7
ADE
F
8
114.011
110.721
59.368
1.00
49.17
F

ATOM
4362
C8
ADE
F
8
114.844
109.704
59.393
1.00
50.24
F

ATOM
4363
C2′
ADE
F
8
117.503
108.004
59.877
1.00
54.38
F

ATOM
4364
C5′
ADE
F
8
116.256
106.187
57.567
1.00
54.79
F

ATOM
4365
C4′
ADE
F
8
117.477
107.062
57.676
1.00
55.23
F

ATOM
4366
O4′
ADE
F
8
117.074
108.451
57.594
1.00
55.19
F

ATOM
4367
C1′
ADE
F
8
117.247
109.110
58.841
1.00
53.06
F

ATOM
4368
C3′
ADE
F
8
118.194
106.940
59.020
1.00
55.52
F

ATOM
4369
O3′
ADE
F
8
119.586
107.195
58.768
1.00
56.00
F

ATOM
4370
P
ADE
F
9
120.681
106.682
59.793
1.00
56.86
F

ATOM
4371
O1P
ADE
F
9
119.968
105.960
60.891
1.00
56.30
F

ATOM
4372
O2P
ADE
F
9
121.729
106.022
58.998
1.00
56.33
F

ATOM
4373
O5′
ADE
F
9
121.294
108.030
60.376
1.00
55.98
F

ATOM
4374
N9
ADE
F
9
118.510
111.739
62.025
1.00
47.93
F

ATOM
4375
C4
ADE
F
9
117.757
112.869
61.851
1.00
45.74
F

ATOM
4376
N3
ADE
F
9
118.209
114.106
61.618
1.00
44.88
F

ATOM
4377
C2
ADE
F
9
117.216
114.972
61.577
1.00
43.09
F

ATOM
4378
N1
ADE
F
9
115.909
114.765
61.732
1.00
44.48
F

ATOM
4379
C6
ADE
F
9
115.474
113.512
61.962
1.00
45.65
F

ATOM
4380
N6
ADE
F
9
114.153
113.318
62.134
1.00
43.58
F

ATOM
4381
C5
ADE
F
9
116.451
112.485
62.020
1.00
46.03
F

ATOM
4382
N7
ADE
F
9
116.369
111.113
62.249
1.00
48.14
F

ATOM
4383
C8
ADE
F
9
117.619
110.719
62.224
1.00
48.22
F

ATOM
4384
C2′
ADE
F
9
120.585
110.631
62.937
1.00
51.41
F

ATOM
4385
C5′
ADE
F
9
120.607
109.221
60.163
1.00
53.89
F

ATOM
4386
C4′
ADE
F
9
121.365
110.386
60.722
1.00
52.27
F

ATOM
4387
O4′
ADE
F
9
120.391
111.447
60.753
1.00
52.46
F

ATOM
4388
C1′
ADE
F
9
119.968
111.708
62.057
1.00
50.12
F

ATOM
4389
C3′
ADE
F
9
121.820
110.223
62.153
1.00
52.12
F

ATOM
4390
O3′
ADE
F
9
122.868
111.161
62.349
1.00
52.41
F

ATOM
4391
P
CYT
F
10
123.942
110.914
63.483
1.00
52.69
F

ATOM
4392
O1P
CYT
F
10
123.575
109.653
64.251
1.00
53.41
F

ATOM
4393
O2P
CYT
F
10
125.279
111.060
62.899
1.00
54.19
F

ATOM
4394
O5′
CYT
F
10
123.782
112.187
64.404
1.00
52.56
F

ATOM
4395
N1
CYT
F
10
118.902
114.023
65.166
1.00
42.59
F

ATOM
4396
C6
CYT
F
10
118.767
112.676
65.403
1.00
42.59
F

ATOM
4397
C2
CYT
F
10
117.812
114.805
64.974
1.00
42.45
F

ATOM
4398
O2
CYT
F
10
118.010
115.991
64.697
1.00
41.40
F

ATOM
4399
N3
CYT
F
10
116.567
114.279
65.098
1.00
43.47
F

ATOM
4400
C4
CYT
F
10
116.421
112.985
65.395
1.00
43.84
F

ATOM
4401
N4
CYT
F
10
115.173
112.522
65.560
1.00
42.53
F

ATOM
4402
C5
CYT
F
10
117.557
112.119
65.544
1.00
42.78
F

ATOM
4403
C2′
CYT
F
10
120.931
114.557
66.548
1.00
47.47
F

ATOM
4404
C5′
CYT
F
10
122.540
112.521
64.911
1.00
50.04
F

ATOM
4405
C4′
CYT
F
10
122.364
113.996
64.757
1.00
47.50
F

ATOM
4406
O4′
CYT
F
10
121.042
114.176
64.220
1.00
44.98
F

ATOM
4407
C1′
CYT
F
10
120.202
114.709
65.209
1.00
45.11
F

ATOM
4408
C3′
CYT
F
10
122.380
114.657
66.127
1.00
48.69
F

ATOM
4409
O3′
CYT
F
10
122.620
116.048
66.135
1.00
52.11
F

ATOM
4410
O5′
GUA
G
1
47.014
140.673
96.657
1.00
38.92
G

ATOM
4411
N9
GUA
G
1
43.791
142.655
96.443
1.00
36.26
G

ATOM
4412
C4
GUA
G
1
42.700
143.421
96.775
1.00
35.90
G

ATOM
4413
N3
GUA
G
1
41.433
142.985
96.862
1.00
37.97
G

ATOM
4414
C2
GUA
G
1
40.601
143.959
97.239
1.00
39.06
G

ATOM
4415
N2
GUA
G
1
39.261
143.701
97.379
1.00
37.23
G

ATOM
4416
N1
GUA
G
1
41.019
145.245
97.523
1.00
38.08
G

ATOM
4417
C6
GUA
G
1
42.341
145.680
97.496
1.00
37.00
G

ATOM
4418
O6
GUA
G
1
42.637
146.821
97.904
1.00
36.07
G

ATOM
4419
C5
GUA
G
1
43.201
144.675
97.042
1.00
35.62
G

ATOM
4420
N7
GUA
G
1
44.567
144.705
96.859
1.00
35.61
G

ATOM
4421
C8
GUA
G
1
44.873
143.483
96.509
1.00
36.26
G

ATOM
4422
C2′
GUA
G
1
44.656
140.768
94.954
1.00
34.97
G

ATOM
4423
C5′
GUA
G
1
46.434
139.614
97.380
1.00
36.88
G

ATOM
4424
C4′
GUA
G
1
45.022
139.395
96.884
1.00
38.10
G

ATOM
4425
O4′
GUA
G
1
44.195
140.520
97.286
1.00
35.81
G

ATOM
4426
C1′
GUA
G
1
43.789
141.241
96.121
1.00
36.37
G

ATOM
4427
C3′
GUA
G
1
44.886
139.316
95.344
1.00
35.81
G

ATOM
4428
O3′
GUA
G
1
43.748
138.493
95.080
1.00
35.65
G

ATOM
4429
P
THY
G
2
43.292
138.174
93.593
1.00
36.01
G

ATOM
4430
O1P
THY
G
2
44.066
138.930
92.637
1.00
31.68
G

ATOM
4431
O2P
THY
G
2
43.282
136.639
93.548
1.00
38.33
G

ATOM
4432
O5′
THY
G
2
41.752
138.567
93.574
1.00
33.00
G

ATOM
4433
N1
THY
G
2
40.151
143.199
93.514
1.00
33.65
G

ATOM
4434
C6
THY
G
2
41.510
143.199
93.312
1.00
32.12
G

ATOM
4435
C2
THY
G
2
39.485
144.337
93.844
1.00
34.36
G

ATOM
4436
O2
THY
G
2
38.270
144.367
94.004
1.00
36.43
G

ATOM
4437
N3
THY
G
2
40.269
145.438
93.984
1.00
33.28
G

ATOM
4438
C4
THY
G
2
41.629
145.511
93.847
1.00
33.39
G

ATOM
4439
O4
THY
G
2
42.224
146.571
94.092
1.00
34.54
G

ATOM
4440
C5
THY
G
2
42.270
144.300
93.454
1.00
31.47
G

ATOM
4441
C5A
THY
G
2
43.742
144.340
93.230
1.00
26.26
G

ATOM
4442
C2′
THY
G
2
39.525
141.165
92.143
1.00
32.65
G

ATOM
4443
C5′
THY
G
2
41.290
139.639
94.306
1.00
32.39
G

ATOM
4444
C4′
THY
G
2
39.806
139.824
94.103
1.00
34.01
G

ATOM
4445
O4′
THY
G
2
39.590
141.193
94.509
1.00
34.57
G

ATOM
4446
C1′
THY
G
2
39.315
142.002
93.395
1.00
33.75
G

ATOM
4447
C3′
THY
G
2
39.297
139.758
92.654
1.00
34.40
G

ATOM
4448
O3′
THY
G
2
37.910
139.418
92.638
1.00
35.27
G

ATOM
4449
P
THY
G
3
37.159
139.145
91.240
1.00
36.74
G

ATOM
4450
O1P
THY
G
3
38.074
139.342
90.080
1.00
36.29
G

ATOM
4451
O2P
THY
G
3
36.385
137.865
91.357
1.00
38.49
G

ATOM
4452
O5′
THY
G
3
36.105
140.320
91.188
1.00
37.18
G

ATOM
4453
N1
THY
G
3
37.521
145.189
90.681
1.00
39.81
G

ATOM
4454
C6
THY
G
3
38.638
144.512
90.222
1.00
38.98
G

ATOM
4455
C2
THY
G
3
37.615
146.436
91.219
1.00
40.10
G

ATOM
4456
O2
THY
G
3
36.636
147.035
91.666
1.00
42.50
G

ATOM
4457
N3
THY
G
3
38.892
146.966
91.234
1.00
38.89
G

ATOM
4458
C4
THY
G
3
40.058
146.366
90.796
1.00
38.22
G

ATOM
4459
O4
THY
G
3
41.138
146.963
90.897
1.00
37.01
G

ATOM
4460
C5
THY
G
3
39.888
145.025
90.252
1.00
39.31
G

ATOM
4461
C5A
THY
G
3
41.101
144.285
89.770
1.00
34.18
G

ATOM
4462
C2′
THY
G
3
35.959
143.716
89.422
1.00
41.25
G

ATOM
4463
C5′
THY
G
3
36.505
141.575
91.628
1.00
38.96
G

ATOM
4464
C4′
THY
G
3
35.399
142.564
91.426
1.00
40.55
G

ATOM
4465
O4′
THY
G
3
35.968
143.849
91.771
1.00
40.80
G

ATOM
4466
C1′
THY
G
3
36.174
144.625
90.607
1.00
40.36
G

ATOM
4467
C3′
THY
G
3
35.002
142.670
89.961
1.00
43.41
G

ATOM
4468
O3′
THY
G
3
33.609
142.997
89.778
1.00
47.27
G

ATOM
4469
P
GUA
G
4
32.991
143.182
88.272
1.00
49.65
G

ATOM
4470
O1P
GUA
G
4
33.981
143.121
87.185
1.00
48.14
G

ATOM
4471
O2P
GUA
G
4
31.779
142.309
88.204
1.00
50.35
G

ATOM
4472
O5′
GUA
G
4
32.509
144.684
88.371
1.00
49.75
G

ATOM
4473
N9
GUA
G
4
34.829
147.527
88.117
1.00
44.28
G

ATOM
4474
C4
GUA
G
4
35.916
148.354
88.350
1.00
41.44
G

ATOM
4475
N3
GUA
G
4
35.874
149.574
88.901
1.00
39.90
G

ATOM
4476
C2
GUA
G
4
37.078
150.114
88.970
1.00
41.55
G

ATOM
4477
N2
GUA
G
4
37.257
151.336
89.494
1.00
42.60
G

ATOM
4478
N1
GUA
G
4
38.223
149.510
88.539
1.00
40.96
G

ATOM
4479
C6
GUA
G
4
38.301
148.251
87.989
1.00
41.22
G

ATOM
4480
O6
GUA
G
4
39.408
147.790
87.671
1.00
40.92
G

ATOM
4481
C5
GUA
G
4
37.013
147.656
87.889
1.00
41.17
G

ATOM
4482
N7
GUA
G
4
36.633
146.421
87.385
1.00
42.09
G

ATOM
4483
C8
GUA
G
4
35.332
146.379
87.557
1.00
43.12
G

ATOM
4484
C2′
GUA
G
4
32.403
147.333
87.371
1.00
47.33
G

ATOM
4485
C5′
GUA
G
4
31.898
145.140
89.594
1.00
49.50
G

ATOM
4486
C4′
GUA
G
4
31.744
146.642
89.560
1.00
49.41
G

ATOM
4487
O4′
GUA
G
4
33.068
147.259
89.643
1.00
47.94
G

ATOM
4488
C1′
GUA
G
4
33.425
147.838
88.390
1.00
46.17
G

ATOM
4489
C3′
GUA
G
4
31.155
147.105
88.220
1.00
49.22
G

ATOM
4490
O3′
GUA
G
4
30.314
148.257
88.450
1.00
50.89
G

ATOM
4491
P
CYT
G
5
29.417
148.890
87.252
1.00
52.80
G

ATOM
4492
O1P
CYT
G
5
29.370
147.917
86.121
1.00
52.24
G

ATOM
4493
02P
CYT
G
5
28.183
149.310
87.904
1.00
50.60
G

ATOM
4494
O5′
CYT
G
5
30.247
150.195
86.811
1.00
50.08
G

ATOM
4495
N1
CYT
G
5
34.543
150.810
85.451
1.00
44.66
G

ATOM
4496
C6
CYT
G
5
34.330
149.563
84.927
1.00
43.66
G

ATOM
4497
C2
CYT
G
5
35.866
151.252
85.702
1.00
44.12
G

ATOM
4498
O2
CYT
G
5
36.041
152.359
86.230
1.00
45.32
G

ATOM
4499
N3
CYT
G
5
36.909
150.449
85.376
1.00
41.86
G

ATOM
4500
C4
CYT
G
5
36.677
149.237
84.865
1.00
40.97
G

ATOM
4501
N4
CYT
G
5
37.715
148.469
84.588
1.00
40.81
G

ATOM
4502
C5
CYT
G
5
35.362
148.752
84.625
1.00
40.78
G

ATOM
4503
C2′
CYT
G
5
32.112
151.743
84.956
1.00
48.83
G

ATOM
4504
C5′
CYT
G
5
30.820
150.982
87.822
1.00
48.65
G

ATOM
4505
C4′
CYT
G
5
31.685
152.092
87.279
1.00
49.16
G

ATOM
4506
O4′
CYT
G
5
33.075
151.661
87.113
1.00
48.10
G

ATOM
4507
C1′
CYT
G
5
33.422
151.732
85.742
1.00
46.81
G

ATOM
4508
C3′
CYT
G
5
31.243
152.577
85.898
1.00
49.90
G

ATOM
4509
O3′
CYT
G
5
31.498
154.000
85.807
1.00
52.88
G

ATOM
4510
P
GUA
G
6
30.775
154.889
84.660
1.00
56.56
G

ATOM
4511
O1P
GUA
G
6
31.155
154.352
83.295
1.00
54.54
G

ATOM
4512
O2P
GUA
G
6
29.342
154.991
85.052
1.00
52.49
G

ATOM
4513
O5′
GUA
G
6
31.508
156.300
84.746
1.00
53.05
G

ATOM
4514
N9
GUA
G
6
35.380
155.480
83.798
1.00
51.78
G

ATOM
4515
C4
GUA
G
6
36.677
155.067
83.628
1.00
50.48
G

ATOM
4516
N3
GUA
G
6
37.782
155.795
83.875
1.00
50.29
G

ATOM
4517
C2
GUA
G
6
38.889
155.120
83.594
1.00
51.45
G

ATOM
4518
N2
GUA
G
6
40.084
155.684
83.778
1.00
51.38
G

ATOM
4519
N1
GUA
G
6
38.906
153.834
83.105
1.00
51.72
G

ATOM
4520
C6
GUA
G
6
37.767
153.074
82.845
1.00
53.06
G

ATOM
4521
O6
GUA
G
6
37.870
151.916
82.396
1.00
55.74
G

ATOM
4522
C5
GUA
G
6
36.588
153.780
83.149
1.00
51.55
G

ATOM
4523
N7
GUA
G
6
35.266
153.373
83.052
1.00
51.49
G

ATOM
4524
C8
GUA
G
6
34.583
154.404
83.459
1.00
51.71
G

ATOM
4525
C2′
GUA
G
6
33.792
157.419
83.388
1.00
52.90
G

ATOM
4526
C5′
GUA
G
6
32.048
156.747
85.961
1.00
51.85
G

ATOM
4527
C4′
GUA
G
6
33.273
157.586
85.705
1.00
52.84
G

ATOM
4528
O4′
GUA
G
6
34.453
156.753
85.548
1.00
53.84
G

ATOM
4529
C1′
GUA
G
6
34.925
156.810
84.204
1.00
52.43
G

ATOM
4530
C3′
GUA
G
6
33.182
158.375
84.399
1.00
53.40
G

ATOM
4531
O3′
GUA
G
6
34.029
159.518
84.530
1.00
53.50
G

ATOM
4532
P
GUA
G
7
34.007
160.651
83.426
1.00
53.54
G

ATOM
4533
O1P
GUA
G
7
33.750
160.088
82.075
1.00
53.60
G

ATOM
4534
O2P
GUA
G
7
33.081
161.627
84.022
1.00
54.92
G

ATOM
4535
O5′
GUA
G
7
35.514
161.132
83.409
1.00
51.87
G

ATOM
4536
N9
GUA
G
7
37.981
157.814
80.897
1.00
48.05
G

ATOM
4537
C4
GUA
G
7
38.753
156.766
80.461
1.00
45.94
G

ATOM
4538
N3
GUA
G
7
40.098
156.774
80.287
1.00
45.76
G

ATOM
4539
C2
GUA
G
7
40.540
155.616
79.778
1.00
44.55
G

ATOM
4540
N2
GUA
G
7
41.840
155.427
79.532
1.00
42.99
G

ATOM
4541
N1
GUA
G
7
39.727
154.555
79.480
1.00
43.61
G

ATOM
4542
C6
GUA
G
7
38.350
154.525
79.689
1.00
44.15
G

ATOM
4543
O6
GUA
G
7
37.701
153.499
79.425
1.00
43.57
G

ATOM
4544
C5
GUA
G
7
37.870
155.751
80.214
1.00
44.98
G

ATOM
4545
N7
GUA
G
7
36.583
156.131
80.546
1.00
45.51
G

ATOM
4546
C8
GUA
G
7
36.705
157.353
80.970
1.00
45.98
G

ATOM
4547
C2′
GUA
G
7
37.480
160.250
80.593
1.00
53.84
G

ATOM
4548
C5′
GUA
G
7
36.492
160.165
83.559
1.00
51.30
G

ATOM
4549
C4′
GUA
G
7
37.775
160.592
82.920
1.00
52.18
G

ATOM
4550
O4′
GUA
G
7
38.452
159.373
82.557
1.00
53.31
G

ATOM
4551
C1′
GUA
G
7
38.419
159.181
81.154
1.00
51.81
G

ATOM
4552
C3′
GUA
G
7
37.611
161.361
81.620
1.00
55.14
G

ATOM
4553
O3′
GUA
G
7
38.831
162.090
81.442
1.00
56.40
G

ATOM
4554
P
THY
G
8
39.019
163.019
80.185
1.00
58.64
G

ATOM
4555
O1P
THY
G
8
37.688
163.061
79.474
1.00
56.59
G

ATOM
4556
O2P
THY
G
8
39.701
164.274
80.646
1.00
59.83
G

ATOM
4557
O5′
THY
G
8
40.080
162.260
79.295
1.00
56.83
G

ATOM
4558
N1
THY
G
8
39.460
157.655
76.825
1.00
48.64
G

ATOM
4559
C6
THY
G
8
38.223
158.101
77.216
1.00
47.45
G

ATOM
4560
C2
THY
G
8
39.656
156.360
76.433
1.00
46.84
G

ATOM
4561
O2
THY
G
8
40.728
155.939
76.081
1.00
46.00
G

ATOM
4562
N3
THY
G
8
38.540
155.578
76.456
1.00
45.79
G

ATOM
4563
C4
THY
G
8
37.265
155.956
76.810
1.00
46.32
G

ATOM
4564
O4
THY
G
8
36.355
155.133
76.747
1.00
45.06
G

ATOM
4565
C5
THY
G
8
37.128
157.336
77.222
1.00
45.76
G

ATOM
4566
C5A
THY
G
8
35.789
157.854
77.623
1.00
43.68
G

ATOM
4567
C2′
THY
G
8
40.462
159.857
75.980
1.00
53.92
G

ATOM
4568
C5′
THY
G
8
39.803
160.969
78.849
1.00
55.70
G

ATOM
4569
C4′
THY
G
8
41.035
160.392
78.221
1.00
55.10
G

ATOM
4570
O4′
THY
G
8
40.833
158.969
78.145
1.00
54.29
G

ATOM
4571
C1′
THY
G
8
40.614
158.568
76.805
1.00
52.28
G

ATOM
4572
C3′
THY
G
8
41.264
160.863
76.793
1.00
55.20
G

ATOM
4573
O3′
THY
G
8
42.661
160.795
76.557
1.00
56.45
G

ATOM
4574
P
THY
G
9
43.284
161.490
75.265
1.00
59.63
G

ATOM
4575
O1P
THY
G
9
42.131
162.114
74.529
1.00
59.23
G

ATOM
4576
O2P
THY
G
9
44.477
162.315
75.638
1.00
58.57
G

ATOM
4577
O5′
THY
G
9
43.838
160.247
74.443
1.00
58.81
G

ATOM
4578
N1
THY
G
9
40.860
156.915
72.574
1.00
49.44
G

ATOM
4579
C6
THY
G
9
40.089
157.984
72.937
1.00
48.39
G

ATOM
4580
C2
THY
G
9
40.305
155.674
72.422
1.00
48.89
G

ATOM
4581
O2
THY
G
9
40.951
154.708
72.070
1.00
48.38
G

ATOM
4582
N3
THY
G
9
38.955
155.599
72.682
1.00
47.82
G

ATOM
4583
C4
THY
G
9
38.118
156.630
73.048
1.00
47.53
G

ATOM
4584
O4
THY
G
9
36.920
156.414
73.279
1.00
45.88
G

ATOM
4585
C5
THY
G
9
38.758
157.910
73.148
1.00
48.02
G

ATOM
4586
C5A
THY
G
9
37.913
159.104
73.467
1.00
48.52
G

ATOM
4587
C2′
THY
G
9
42.790
158.336
71.696
1.00
55.69
G

ATOM
4588
C5′
THY
G
9
43.370
158.944
74.722
1.00
57.31
G

ATOM
4589
C4′
THY
G
9
43.954
157.965
73.740
1.00
56.21
G

ATOM
4590
O4′
THY
G
9
42.972
156.929
73.572
1.00
54.76
G

ATOM
4591
C1′
THY
G
9
42.313
157.036
72.324
1.00
52.67
G

ATOM
4592
C3′
THY
G
9
44.157
158.540
72.346
1.00
57.79
G

ATOM
4593
O3′
THY
G
9
45.263
157.822
71.753
1.00
59.82
G

ATOM
4594
P
GUA
G
10
45.807
158.233
70.307
1.00
62.80
G

ATOM
4595
O1P
GUA
G
10
45.018
159.474
69.818
1.00
63.72
G

ATOM
4596
O2P
GUA
G
10
47.286
158.245
70.310
1.00
62.06
G

ATOM
4597
O5′
GUA
G
10
45.372
157.009
69.365
1.00
63.52
G

ATOM
4598
N9
GUA
G
10
42.042
155.441
68.236
1.00
50.25
G

ATOM
4599
C4
GUA
G
10
40.828
154.816
68.399
1.00
47.09
G

ATOM
4600
N3
GUA
G
10
40.525
153.557
68.008
1.00
43.77
G

ATOM
4601
C2
GUA
G
10
39.255
153.265
68.280
1.00
45.16
G

ATOM
4602
N2
GUA
G
10
38.729
152.031
67.956
1.00
44.71
G

ATOM
4603
N1
GUA
G
10
38.380
154.150
68.895
1.00
45.81
G

ATOM
4604
C6
GUA
G
10
38.694
155.440
69.308
1.00
45.86
G

ATOM
4605
O6
GUA
G
10
37.831
156.152
69.861
1.00
47.27
G

ATOM
4606
C5
GUA
G
10
40.023
155.755
69.019
1.00
45.96
G

ATOM
4607
N7
GUA
G
10
40.727
156.927
69.253
1.00
48.27
G

ATOM
4608
C8
GUA
G
10
41.917
156.699
68.776
1.00
48.57
G

ATOM
4609
C2′
GUA
G
10
44.091
155.982
66.960
1.00
57.06
G

ATOM
4610
C5′
GUA
G
10
45.800
155.667
69.636
1.00
60.57
G

ATOM
4611
C4′
GUA
G
10
45.413
154.737
68.497
1.00
59.27
G

ATOM
4612
O4′
GUA
G
10
44.032
154.288
68.619
1.00
56.96
G

ATOM
4613
C1′
GUA
G
10
43.229
154.894
67.606
1.00
54.05
G

ATOM
4614
C3′
GUA
G
10
45.489
155.405
67.121
1.00
58.50
G

ATOM
4615
O3′
GUA
G
10
45.659
154.372
66.139
1.00
60.36
G

ATOM
4616
O5′
CYT
H
1
30.838
150.754
70.169
1.00
50.90
H

ATOM
4617
N1
CYT
H
1
34.211
151.390
69.707
1.00
43.12
H

ATOM
4618
C6
CYT
H
1
33.407
152.216
70.457
1.00
42.63
H

ATOM
4619
C2
CYT
H
1
35.464
151.848
69.232
1.00
40.48
H

ATOM
4620
O2
CYT
H
1
36.185
151.084
68.606
1.00
37.31
H

ATOM
4621
N3
CYT
H
1
35.845
153.109
69.481
1.00
39.15
H

ATOM
4622
C4
CYT
H
1
35.056
153.917
70.176
1.00
41.39
H

ATOM
4623
N4
CYT
H
1
35.493
155.166
70.363
1.00
40.04
H

ATOM
4624
C5
CYT
H
1
33.778
153.475
70.711
1.00
42.21
H

ATOM
4625
C2′
CYT
H
1
33.119
149.210
70.498
1.00
46.37
H

ATOM
4626
C5′
CYT
H
1
30.491
150.053
68.963
1.00
48.89
H

ATOM
4627
C4′
CYT
H
1
31.697
149.229
68.585
1.00
48.01
H

ATOM
4628
O4′
CYT
H
1
32.821
150.116
68.315
1.00
46.83
H

ATOM
4629
C1′
CYT
H
1
33.781
150.020
69.368
1.00
45.82
H

ATOM
4630
C3′
CYT
H
1
32.167
148.317
69.715
1.00
46.40
H

ATOM
4631
O3′
CYT
H
1
32.861
147.227
69.107
1.00
44.93
H

ATOM
4632
P
ADE
H
2
33.156
145.897
69.942
1.00
45.50
H

ATOM
4633
O1P
ADE
H
2
32.223
145.857
71.122
1.00
45.82
H

ATOM
4634
O2P
ADE
H
2
33.186
144.778
68.972
1.00
43.98
H

ATOM
4635
O5′
ADE
H
2
34.637
146.139
70.467
1.00
42.98
H

ATOM
4636
N9
ADE
H
2
36.531
149.174
72.494
1.00
42.33
H

ATOM
4637
C4
ADE
H
2
37.096
150.422
72.366
1.00
41.46
H

ATOM
4638
N3
ADE
H
2
38.282
150.724
71.807
1.00
42.57
H

ATOM
4639
C2
ADE
H
2
38.505
152.045
71.862
1.00
42.87
H

ATOM
4640
N1
ADE
H
2
37.726
153.018
72.376
1.00
40.76
H

ATOM
4641
C6
ADE
H
2
36.532
152.668
72.916
1.00
40.83
H

ATOM
4642
N6
ADE
H
2
35.742
153.626
73.413
1.00
38.22
H

ATOM
4643
C5
ADE
H
2
36.189
151.301
72.919
1.00
41.39
H

ATOM
4644
N7
ADE
H
2
35.071
150.618
73.394
1.00
42.77
H

ATOM
4645
C8
ADE
H
2
35.325
149.366
73.121
1.00
42.15
H

ATOM
4646
C2′
ADE
H
2
36.694
146.571
72.571
1.00
40.65
H

ATOM
4647
C5′
ADE
H
2
35.665
146.167
69.543
1.00
40.30
H

ATOM
4648
C4′
ADE
H
2
36.988
146.473
70.193
1.00
41.50
H

ATOM
4649
O4′
ADE
H
2
37.054
147.861
70.613
1.00
41.80
H

ATOM
4650
C1′
ADE
H
2
37.150
147.928
72.032
1.00
42.62
H

ATOM
4651
C3′
ADE
H
2
37.207
145.659
71.469
1.00
41.16
H

ATOM
4652
O3′
ADE
H
2
38.591
145.366
71.555
1.00
40.03
H

ATOM
4653
P
ADE
H
3
39.072
143.972
72.169
1.00
40.26
H

ATOM
4654
O1P
ADE
H
3
38.106
143.672
73.252
1.00
39.24
H

ATOM
4655
O2P
ADE
H
3
39.257
142.973
71.110
1.00
40.42
H

ATOM
4656
O5′
ADE
H
3
40.483
144.442
72.757
1.00
37.80
H

ATOM
4657
N9
ADE
H
3
40.060
149.362
74.337
1.00
36.11
H

ATOM
4658
C4
ADE
H
3
39.798
150.659
74.695
1.00
33.24
H

ATOM
4659
N3
ADE
H
3
40.555
151.720
74.440
1.00
33.72
H

ATOM
4660
C2
ADE
H
3
40.059
152.777
74.990
1.00
32.42
H

ATOM
4661
N1
ADE
H
3
38.952
152.913
75.692
1.00
33.15
H

ATOM
4662
C6
ADE
H
3
38.181
151.848
75.909
1.00
32.47
H

ATOM
4663
N6
ADE
H
3
37.013
152.032
76.560
1.00
30.84
H

ATOM
4664
C5
ADE
H
3
38.635
150.629
75.414
1.00
33.01
H

ATOM
4665
N7
ADE
H
3
38.141
149.330
75.499
1.00
33.43
H

ATOM
4666
C8
ADE
H
3
39.006
148.623
74.818
1.00
34.68
H

ATOM
4667
C2′
ADE
H
3
42.025
148.230
74.848
1.00
40.11
H

ATOM
4668
C5′
ADE
H
3
40.525
145.611
73.606
1.00
39.61
H

ATOM
4669
C4′
ADE
H
3
41.596
146.553
73.124
1.00
38.73
H

ATOM
4670
O4′
ADE
H
3
40.938
147.819
72.793
1.00
37.40
H

ATOM
4671
C1′
ADE
H
3
41.286
148.873
73.698
1.00
37.27
H

ATOM
4672
C3′
ADE
H
3
42.506
146.925
74.277
1.00
38.60
H

ATOM
4673
O3′
ADE
H
3
43.811
146.483
74.414
1.00
36.13
H

ATOM
4674
P
CYT
H
4
44.324
146.172
75.874
1.00
36.55
H

ATOM
4675
O1P
CYT
H
4
43.177
145.752
76.710
1.00
32.41
H

ATOM
4676
O2P
CYT
H
4
45.495
145.253
75.628
1.00
36.43
H

ATOM
4677
O5′
CYT
H
4
44.826
147.588
76.439
1.00
35.22
H

ATOM
4678
N1
CYT
H
4
42.846
151.103
77.637
1.00
39.47
H

ATOM
4679
C6
CYT
H
4
42.143
149.938
77.608
1.00
39.62
H

ATOM
4680
C2
CYT
H
4
42.193
152.301
77.918
1.00
39.27
H

ATOM
4681
O2
CYT
H
4
42.801
153.355
77.771
1.00
41.72
H

ATOM
4682
N3
CYT
H
4
40.911
152.274
78.324
1.00
36.42
H

ATOM
4683
C4
CYT
H
4
40.268
151.114
78.401
1.00
35.75
H

ATOM
4684
N4
CYT
H
4
39.052
151.108
78.882
1.00
33.28
H

ATOM
4685
C5
CYT
H
4
40.862
149.899
78.000
1.00
37.72
H

ATOM
4686
C2′
CYT
H
4
44.964
150.023
78.380
1.00
43.66
H

ATOM
4687
C5′
CYT
H
4
45.303
148.534
75.519
1.00
38.49
H

ATOM
4688
C4′
CYT
H
4
45.761
149.829
76.147
1.00
40.81
H

ATOM
4689
O4′
CYT
H
4
44.632
150.760
76.181
1.00
39.08
H

ATOM
4690
C1′
CYT
H
4
44.302
151.090
77.497
1.00
39.36
H

ATOM
4691
C3′
CYT
H
4
46.207
149.675
77.594
1.00
42.92
H

ATOM
4692
O3′
CYT
H
4
47.286
150.493
77.994
1.00
46.72
H

ATOM
4693
P
CYT
H
5
47.896
150.273
79.466
1.00
50.72
H

ATOM
4694
O1P
CYT
H
5
47.321
149.067
80.109
1.00
49.00
H

ATOM
4695
O2P
CYT
H
5
49.370
150.416
79.293
1.00
50.48
H

ATOM
4696
O5′
CYT
H
5
47.324
151.489
80.305
1.00
49.22
H

ATOM
4697
N1
CYT
H
5
43.765
152.663
81.985
1.00
42.82
H

ATOM
4698
C6
CYT
H
5
43.777
151.363
81.578
1.00
41.70
H

ATOM
4699
C2
CYT
H
5
42.557
153.273
82.355
1.00
41.27
H

ATOM
4700
O2
CYT
H
5
42.565
154.453
82.714
1.00
43.31
H

ATOM
4701
N3
CYT
H
5
41.406
152.551
82.317
1.00
38.27
H

ATOM
4702
C4
CYT
H
5
41.438
151.275
81.924
1.00
35.81
H

ATOM
4703
N4
CYT
H
5
40.303
150.605
81.872
1.00
32.66
H

ATOM
4704
C5
CYT
H
5
42.643
150.636
81.552
1.00
37.91
H

ATOM
4705
C2′
CYT
H
5
46.230
152.791
82.740
1.00
48.03
H

ATOM
4706
C5′
CYT
H
5
47.308
152.744
79.711
1.00
49.08
H

ATOM
4707
C4′
CYT
H
5
46.844
153.806
80.669
1.00
48.96
H

ATOM
4708
O4′
CYT
H
5
45.386
153.764
80.755
1.00
46.96
H

ATOM
4709
C1′
CYT
H
5
45.004
153.426
82.068
1.00
45.01
H

ATOM
4710
C3′
CYT
H
5
47.363
153.575
82.095
1.00
49.34
H

ATOM
4711
O3′
CYT
H
5
47.648
154.824
82.744
1.00
52.38
H

ATOM
4712
P
GUA
H
6
48.660
154.882
83.991
1.00
54.69
H

ATOM
4713
O1P
GUA
H
6
49.174
153.539
84.307
1.00
54.14
H

ATOM
4714
O2P
GUA
H
6
49.622
156.004
83.756
1.00
57.09
H

ATOM
4715
O5′
GUA
H
6
47.661
155.267
85.136
1.00
52.45
H

ATOM
4716
N9
GUA
H
6
43.131
153.056
86.180
1.00
46.25
H

ATOM
4717
C4
GUA
H
6
41.811
152.704
86.097
1.00
42.21
H

ATOM
4718
N3
GUA
H
6
40.779
153.484
86.421
1.00
41.15
H

ATOM
4719
C2
GUA
H
6
39.624
152.891
86.198
1.00
41.59
H

ATOM
4720
N2
GUA
H
6
38.471
153.563
86.402
1.00
41.51
H

ATOM
4721
N1
GUA
H
6
39.501
151.604
85.738
1.00
41.04
H

ATOM
4722
C6
GUA
H
6
40.560
150.772
85.434
1.00
40.66
H

ATOM
4723
O6
GUA
H
6
40.339
149.621
85.066
1.00
40.85
H

ATOM
4724
C5
GUA
H
6
41.798
151.417
85.618
1.00
40.89
H

ATOM
4725
N7
GUA
H
6
43.086
150.971
85.370
1.00
42.28
H

ATOM
4726
C8
GUA
H
6
43.850
151.975
85.712
1.00
44.80
H

ATOM
4727
C2′
GUA
H
6
44.840
154.126
87.666
1.00
52.12
H

ATOM
4728
C5′
GUA
H
6
46.379
154.788
85.033
1.00
52.63
H

ATOM
4729
C4′
GUA
H
6
45.472
155.605
85.893
1.00
52.80
H

ATOM
4730
O4′
GUA
H
6
44.147
155.086
85.610
1.00
52.86
H

ATOM
4731
C1′
GUA
H
6
43.658
154.318
86.710
1.00
49.80
H

ATOM
4732
C3′
GUA
H
6
45.739
155.316
87.367
1.00
53.74
H

ATOM
4733
O3′
GUA
H
6
45.527
156.456
88.199
1.00
55.02
H

ATOM
4734
P
CYT
H
7
45.976
156.410
89.750
1.00
56.15
H

ATOM
4735
O1P
CYT
H
7
47.164
155.509
89.916
1.00
52.89
H

ATOM
4736
O2P
CYT
H
7
46.072
157.868
90.077
1.00
55.88
H

ATOM
4737
O5′
CYT
H
7
44.662
155.883
90.457
1.00
54.75
H

ATOM
4738
N1
CYT
H
7
41.927
152.516
90.184
1.00
52.10
H

ATOM
4739
C6
CYT
H
7
43.087
151.963
89.732
1.00
51.79
H

ATOM
4740
C2
CYT
H
7
40.701
151.942
89.864
1.00
52.28
H

ATOM
4741
O2
CYT
H
7
39.650
152.452
90.308
1.00
51.13
H

ATOM
4742
N3
CYT
H
7
40.679
150.837
89.101
1.00
52.02
H

ATOM
4743
C4
CYT
H
7
41.815
150.281
88.701
1.00
52.16
H

ATOM
4744
N4
CYT
H
7
41.733
149.141
88.009
1.00
53.30
H

ATOM
4745
C5
CYT
H
7
43.079
150.852
89.001
1.00
51.28
H

ATOM
4746
C2′
CYT
H
7
43.067
154.023
91.969
1.00
54.62
H

ATOM
4747
C5′
CYT
H
7
43.458
156.549
90.132
1.00
54.23
H

ATOM
4748
C4′
CYT
H
7
42.291
156.000
90.909
1.00
55.25
H

ATOM
4749
O4′
CYT
H
7
41.726
154.860
90.219
1.00
55.63
H

ATOM
4750
C1′
CYT
H
7
41.922
153.712
91.026
1.00
54.04
H

ATOM
4751
C3′
CYT
H
7
42.731
155.469
92.279
1.00
55.58
H

ATOM
4752
O3′
CYT
H
7
41.595
155.493
93.171
1.00
57.10
H

ATOM
4753
P
ADE
H
8
41.641
156.379
94.519
1.00
56.99
H

ATOM
4754
O1P
ADE
H
8
42.356
155.598
95.583
1.00
57.46
H

ATOM
4755
O2P
ADE
H
8
42.171
157.713
94.085
1.00
55.72
H

ATOM
4756
O5′
ADE
H
8
40.119
156.457
94.959
1.00
53.31
H

ATOM
4757
N9
ADE
H
8
39.076
152.956
94.291
1.00
52.46
H

ATOM
4758
C4
ADE
H
8
38.892
151.754
93.637
1.00
50.36
H

ATOM
4759
N3
ADE
H
8
37.742
151.215
93.211
1.00
49.41
H

ATOM
4760
C2
ADE
H
8
37.961
150.081
92.564
1.00
47.57
H

ATOM
4761
N1
ADE
H
8
39.093
149.478
92.304
1.00
45.45
H

ATOM
4762
C6
ADE
H
8
40.231
150.035
92.727
1.00
47.13
H

ATOM
4763
N6
ADE
H
8
41.378
149.438
92.422
1.00
47.60
H

ATOM
4764
C5
ADE
H
8
40.147
151.228
93.453
1.00
49.19
H

ATOM
4765
N7
ADE
H
8
41.111
152.040
94.036
1.00
50.32
H

ATOM
4766
C8
ADE
H
8
40.427
153.046
94.526
1.00
51.29
H

ATOM
4767
C2′
ADE
H
8
38.099
154.690
95.951
1.00
55.36
H

ATOM
4768
C5′
ADE
H
8
39.176
157.051
94.125
1.00
52.98
H

ATOM
4769
C4′
ADE
H
8
37.883
156.285
94.184
1.00
54.04
H

ATOM
4770
O4′
ADE
H
8
38.089
154.972
93.596
1.00
54.56
H

ATOM
4771
C1′
ADE
H
8
38.034
153.952
94.600
1.00
54.46
H

ATOM
4772
C3′
ADE
H
8
37.430
156.020
95.619
1.00
55.04
H

ATOM
4773
O3′
ADE
H
8
36.001
155.918
95.622
1.00
55.61
H

ATOM
4774
P
ADE
H
9
35.169
156.132
96.997
1.00
55.91
H

ATOM
4775
O1P
ADE
H
9
36.141
156.450
98.079
1.00
55.15
H

ATOM
4776
O2P
ADE
H
9
34.023
157.027
96.711
1.00
56.86
H

ATOM
4777
O5′
ADE
H
9
34.529
154.718
97.244
1.00
54.64
H

ATOM
4778
N9
ADE
H
9
37.088
150.536
97.143
1.00
50.46
H

ATOM
4779
C4
ADE
H
9
37.644
149.492
96.440
1.00
48.35
H

ATOM
4780
N3
ADE
H
9
36.987
148.464
95.871
1.00
48.31
H

ATOM
4781
C2
ADE
H
9
37.837
147.631
95.315
1.00
47.31
H

ATOM
4782
N1
ADE
H
9
39.174
147.698
95.263
1.00
47.40
H

ATOM
4783
C6
ADE
H
9
39.801
148.744
95.828
1.00
46.40
H

ATOM
4784
N6
ADE
H
9
41.133
148.794
95.751
1.00
44.72
H

ATOM
4785
C5
ADE
H
9
39.004
149.711
96.456
1.00
46.90
H

ATOM
4786
N7
ADE
H
9
39.301
150.894
97.126
1.00
46.34
H

ATOM
4787
C8
ADE
H
9
38.133
151.350
97.496
1.00
47.68
H

ATOM
4788
C2′
ADE
H
9
35.325
151.454
98.691
1.00
53.03
H

ATOM
4789
C5′
ADE
H
9
35.024
153.637
96.511
1.00
53.98
H

ATOM
4790
C4′
ADE
H
9
34.230
152.404
96.818
1.00
53.90
H

ATOM
4791
O4′
ADE
H
9
35.070
151.343
96.346
1.00
54.00
H

ATOM
4792
C1′
ADE
H
9
35.659
150.660
97.436
1.00
52.19
H

ATOM
4793
C3′
ADE
H
9
34.033
152.149
98.308
1.00
54.32
H

ATOM
4794
O3′
ADE
H
9
32.915
151.259
98.469
1.00
56.71
H

ATOM
4795
P
CYT
H
10
32.124
151.177
99.904
1.00
60.78
H

ATOM
4796
O1P
CYT
H
10
32.824
152.002
100.934
1.00
57.30
H

ATOM
4797
O2P
CYT
H
10
30.651
151.306
99.637
1.00
59.10
H

ATOM
4798
O5′
CYT
H
10
32.298
149.714
100.448
1.00
57.48
H

ATOM
4799
N1
CYT
H
10
36.957
147.412
99.455
1.00
45.39
H

ATOM
4800
C6
CYT
H
10
37.305
148.521
100.164
1.00
44.04
H

ATOM
4801
C2
CYT
H
10
37.889
146.725
98.711
1.00
44.87
H

ATOM
4802
O2
CYT
H
10
37.490
145.768
98.011
1.00
45.52
H

ATOM
4803
N3
CYT
H
10
39.188
147.103
98.753
1.00
44.25
H

ATOM
4804
C4
CYT
H
10
39.549
148.163
99.501
1.00
44.51
H

ATOM
4805
N4
CYT
H
10
40.866
148.510
99.547
1.00
43.04
H

ATOM
4806
C5
CYT
H
10
38.584
148.924
100.233
1.00
42.52
H

ATOM
4807
C2′
CYT
H
10
35.140
146.628
100.937
1.00
50.05
H

ATOM
4808
C5′
CYT
H
10
33.573
149.163
100.458
1.00
54.55
H

ATOM
4809
C4′
CYT
H
10
33.539
147.847
99.740
1.00
52.02
H

ATOM
4810
O4′
CYT
H
10
34.745
147.797
98.939
1.00
50.94
H

ATOM
4811
C1′
CYT
H
10
35.620
146.872
99.511
1.00
48.50
H

ATOM
4812
C3′
CYT
H
10
33.643
146.748
100.787
1.00
51.00
H

ATOM
4813
O3′
CYT
H
10
33.204
145.464
100.370
1.00
52.99
H

ATOM
4814
OH2
TIP
W
1
39.617
149.064
90.269
1.00
134.44
W

ATOM
4815
OH2
TIP
W
2
40.848
136.007
92.184
1.00
19.65
W

ATOM
4816
OH2
TIP
W
3
54.302
136.960
67.952
1.00
39.11
W

ATOM
4817
OH2
TIP
W
4
55.333
140.195
70.912
1.00
32.17
W

ATOM
4818
OH2
TIP
W
5
100.203
130.958
62.972
1.00
33.13
W

ATOM
4819
OH2
TIP
W
6
107.803
145.514
65.931
1.00
30.60
W

ATOM
4820
OH2
TIP
W
7
110.919
133.045
60.268
1.00
31.12
W

ATOM
4821
OH2
TIP
W
8
53.130
124.003
78.104
1.00
31.95
W

ATOM
4822
OH2
TIP
W
9
44.156
142.753
74.401
1.00
31.27
W

ATOM
4823
OH2
TIP
W
10
60.405
134.237
62.200
1.00
39.31
W

ATOM
4824
OH2
TIP
W
11
51.745
128.694
72.296
1.00
38.54
W

ATOM
4825
OH2
TIP
W
12
62.736
115.056
74.630
1.00
50.68
W

ATOM
4826
OH2
TIP
W
13
98.699
151.582
50.544
1.00
19.97
W

ATOM
4827
OH2
TIP
W
14
98.616
153.649
52.432
1.00
21.92
W

ATOM
4828
OH2
TIP
W
15
119.674
126.064
56.472
1.00
36.17
W

ATOM
4829
OH2
TIP
W
16
95.528
148.095
64.391
1.00
31.03
W

ATOM
4830
OH2
TIP
W
17
103.780
136.827
42.456
1.00
56.82
W

ATOM
4831
OH2
TIP
W
18
94.292
143.673
53.272
1.00
28.08
W

ATOM
4832
OH2
TIP
W
20
98.023
140.680
41.772
1.00
35.12
W

ATOM
4833
OH2
TIP
W
21
86.488
128.894
51.070
1.00
46.42
W

ATOM
4834
OH2
TIP
W
22
89.211
147.255
54.870
1.00
41.78
W

ATOM
4835
OH2
TIP
W
23
44.330
106.044
79.766
1.00
36.85
W

ATOM
4836
OH2
TIP
W
24
41.712
131.058
87.700
1.00
32.99
W

ATOM
4837
OH2
TIP
W
25
43.327
135.668
83.474
1.00
25.58
W

ATOM
4838
OH2
TIP
W
27
97.879
133.524
53.203
1.00
29.24
W

ATOM
4839
OH2
TIP
W
28
110.637
121.176
46.103
1.00
23.17
W

ATOM
4840
OH2
TIP
W
29
106.302
124.932
44.876
1.00
26.66
W

ATOM
4841
OH2
TIP
W
31
40.281
145.890
77.683
1.00
36.33
W

ATOM
4842
OH2
TIP
W
32
59.764
132.826
64.442
1.00
33.21
W

ATOM
4843
OH2
TIP
W
33
115.020
143.659
57.244
1.00
42.04
W

ATOM
4844
OH2
TIP
W
34
98.482
126.638
51.648
1.00
30.78
W

ATOM
4845
OH2
TIP
W
35
110.268
136.670
60.681
1.00
37.17
W

ATOM
4846
OH2
TIP
W
38
40.116
137.158
90.024
1.00
27.73
W

ATOM
4847
OH2
TIP
W
41
97.272
141.019
55.433
1.00
32.76
W

ATOM
4848
OH2
TIP
W
42
47.076
109.999
85.776
1.00
30.34
W

ATOM
4849
OH2
TIP
W
43
50.853
142.184
77.588
1.00
32.45
W

ATOM
4850
OH2
TIP
W
47
50.247
115.220
70.741
1.00
33.21
W

ATOM
4851
OH2
TIP
W
49
35.299
143.359
73.684
1.00
31.25
W

ATOM
4852
OH2
TIP
W
50
42.283
126.733
86.732
1.00
28.76
W

ATOM
4853
OH2
TIP
W
51
50.805
112.785
72.012
1.00
34.88
W

ATOM
4854
OH2
TIP
W
52
98.030
137.932
48.167
1.00
28.07
W

ATOM
4855
OH2
TIP
W
53
116.102
122.833
55.158
1.00
38.77
W

ATOM
4856
OH2
TIP
W
54
100.741
160.884
54.146
1.00
32.09
W

ATOM
4857
OH2
TIP
W
55
104.757
153.055
65.232
1.00
33.96
W

ATOM
4858
OH2
TIP
W
59
48.955
105.729
74.962
1.00
33.05
W

ATOM
4859
OH2
TIP
W
60
108.700
129.474
55.354
1.00
41.86
W

ATOM
4860
OH2
TIP
W
61
100.649
124.079
49.263
1.00
33.29
W

ATOM
4861
OH2
TIP
W
62
36.519
142.155
86.129
1.00
31.05
W

ATOM
4862
OH2
TIP
W
65
47.556
133.342
93.157
1.00
37.32
W

ATOM
4863
OH2
TIP
W
69
47.360
125.268
88.812
1.00
40.31
W

ATOM
4864
OH2
TIP
W
70
52.770
121.496
90.204
1.00
24.57
W

ATOM
4865
OH2
TIP
W
71
47.506
135.138
65.842
1.00
27.83
W

ATOM
4866
OH2
TIP
W
72
112.287
135.318
60.857
1.00
28.28
W

ATOM
4867
OH2
TIP
W
73
44.958
135.169
66.350
1.00
24.19
W

ATOM
4868
OH2
TIP
W
74
55.976
121.945
74.786
1.00
28.53
W

ATOM
4869
OH2
TIP
W
75
101.166
157.108
57.782
1.00
23.43
W

END

[0311]

Number	Date	Country	Kind
0007267.8	Mar 2000	GB
0104527.7	Feb 2001	GB

	Number	Date	Country
Parent	PCT/GB01/01316	Mar 2001	US
Child	10253084	Sep 2002	US

Crystal structure of the (AML1 Runt domain)/(CBFBETA) heterodimer and the ternary complex with DNA

Information

Publication Number

Date Filed

Date Published

Inventors

Original Assignees

CPC

US Classifications

International Classifications

Abstract

Description

Claims

Priority Claims (2)

Continuations (1)