WO2007120657A2 - Crystals of a bacterial metabolite-sensing ribozyme and use thereof for antibiotic discovery - Google Patents

Abstract

A crystalline GlmS ribozyme, optionally but in some embodiments preferably in dehydrated (including partially dehydrated) form is described, along with the crystal structure thereof. The invention provides a method of identifying a GlmS binding compound (or compound that facilitates or inhibits cleavage of GlmS), comprising: (a) providing in a computer a three-dimensional structural representation of GlmS or a glucosamine-6-phosphate (GlcN6P) and/or glucose-6-phosphate (Glc6P) binding portion thereof; and (b) screening in the computer a candidate compound for an ability to bind to said three-dimensional structural representation. In some embodiments the three-dimensional structural representation is provided at a resolution of from 4.0 or 3.0 Å, to 2.0 or 1.0 Å.

Description

CRYSTALS OF A BACTERIAL METABOLITE-SENSING RIBOZYME AND USE THEREOF FOR ANTIBIOTIC DISCOVERY

Daniel J. Klein and Adrian R. Ferre-D'Amare

This invention was made with government support under grant number GM063576 from the National Institutes of Health. The US Government has certain rights to this invention.

Field of the Invention

The present invention concerns crystal structures, three-dimensional structural representations produced therefrom, and the use thereof in identifying compounds with antibacterial activity, particularly against gram positive bacteria.

Background of the Invention

The glmS ribozyme is a catalytic RNA derived from the 5 '-untranslated region (UTR) of the mRNA that encodes glucosamine-6-phosphate synthase in numerous Gram-positive bacteria (Wϊnkler, W. C. et al. Control of gene expression by a natural metabolite-responsive ribozyme. Nature 428, 281-286 (2004)). It was identified as a candidate riboswitch in a computational search for conserved intergenic sequences in microbial genomes (Barrick, J. E. et al. New RNA motifs suggest an expanded scope for riboswitches in bacterial genetic control. Proc Natl Acad Sci USA 101, 6421-6426 (2004)).

Riboswitches regulate gene expression at the mRNA level by undergoing structural rearrangements upon binding to their cognate small-molecule ligands, which are often the products of the enzymes whose expression they regulate (Winkler, W. C. et al. Regulation of bacterial gene expression by riboswitches. Annu. Rev. Microbiol 59, 487-517 (2005)). Biochemical analysis of the glmS 5'-UTR produced little evidence of structural rearrangements in the presence glucosamine-6-phosphate (GlcN6P) (Winkler, W. C. et al. Nature 428, 281-286 (2004). Instead, the glmS 5'-UTR was found to undergo specific self- cleavage (Winkler, W. C. et al. Nature 428, 281-286 (2004)), which is accelerated up to 10⁵- fold in the presence of GlcN6P (McCarthy, T. J. et al. Ligand requirements for glmS ribozyme self-c.eavage. Chem. Biol. 12, 1221-1226 (2005); Roth, A., et al. Characteristics of the glmS ribozyme suggest only structural roles for divalent metal ions. RNA, (published online February 16, 2006)). The glmS 5'-UTR can be engineered into a multiple-turnover catalyst that cleaves substrate RNAs in transi. In vivo studies of a reporter construct fused to either wild-type or mutant glmS 5'-UTRs showed an inverse correlation between in vitro self- cleavage activity and reporter expression level. These results suggest that self-cleavage of the glmS 5'-UTR negatively regulates glmS gene expression.

The glmS ribozyme cleaves RNA through an internal transesterification, and produces 5'-OH and 2',3 '-cyclic phosphate termini, analogous to those generated by four other natural selfcleaving RNAs: the hammerhead, hairpin, HDV and VS ribozymes (Fedor, M. J. & Williamson, J. R: The catalytic diversity of RNAs. Nat Rev MoI Cell Biol 6, 399-412 (2005)). Biochemical and structural studies of these four ribozymes have demonstrated that their overall folds and active site structures are distinct, and that they employ a variety of sophisticated enzymatic strategies including general acid catalysis (Perrotta, A. T. et al. Imidazole rescue of a cytosine mutation in a selfcleaving ribozyme. Science 286, 123-126 (1999); Nakano, S.-I. et al. General acid-base catalysis in the mechanism of a hepatitis delta virus ribozyme. Science 287, 1493-1497 (2000); Das, S. R. & Piccirilli, J. A. General acid catalysis by the hepatitis delta virus ribozyme. Nature Chem. Biol. 1, 45-52 (2005)) and preferential hydrogen bonding to the transition state (Rupert, P. B. et al. Transition state stabilization by a catalytic RNA. Science 298, 1421-1424 (2002)). The glmS ribozyme is an attractive experimental system because, among other things, it regulates the synthesis of GlcN6P (Winkler, W. C. et al, Nature 428, 281-286 (2004), a key metabolic precursor of the bacterial cell wall (Kobayashi, K. et al. Essential Bacillus subtilis genes. Proc Natl Acad Sci USA 100, 4678-4683 (2003)).

Summary of the Invention

A first aspect of the present invention is crystalline GlmS ribozyme (e.g., a crystal comprising, consisting of or consisting essentially of GlmS ribozyme), optionally but in some embodiments preferably in dehydrated (including partially dehydrated) form, and optionally co-crystallized with a ligand such as GlcN6P or Glc6P.

In some embodiments the crystal has unit cell dimensions of a=180.5 to 181.2A, b=39.7 to 41.3 A, and c=70.8 to 71.4A.

A further aspect of the present invention is a method of identifying a GlmS binding compound (or compound that facilitates or inhibits cleavage of GlmS), comprising: (a) providing in a computer a three-dimensional structural representation of GImS or a glucosamine-6-phosphate (GlcN6P) and/or glucose-6-phosphate (GlcόP) binding portion thereof; and (b) screening in the computer a candidate compound for an ability to bind to said three-dimensional structural representation. In some embodiments the three-dimensional structural representation is provided at a resolution of from 4.0 or 3.0 A, to 2.0 or 1.0 A. The candidate compound may be a member of a compound library, or may be generated in the computer (e.g., from a library of atoms and/or substituents). Optionally, the methods may further comprise the steps of: (c) providing said compound {e.g., by purchasing or synthesizing the compound); and then (d) contacting the compound to a GImS ribozyme in vitro to confirm binding thereof to GImS. The contacting step may further comprise detecting the activation of self-cleavage of said GImS ribozyme by said compound, the activation of self-cleavage indicating said compound has antibiotic activity against gram positive bacteria.

Thus, an aspect of the invention is the use of crystalline GImS ribozyme as described herein directly (e.g., experimentally, by X-ray crystallography) to to evaluate whether or not a test compound (e.g., an arbitrary compound, or a compound resulting from a computational screen, a compound from a library of compounds) can directly bind to the GImS ribozyme, or compete with the binding of a known binding compound such as Glc6P, to thus demonstrate binding of the test compound. ^:

Another aspect of the invention is a method of identifying a non-naturally occuring GImS ribozyme analog (e.g., a "directed evolution" method), comprising: (a) providing in a computer a three-dimensional structural representation of GImS or a glucosamine-6- phosphate (GlcN6P) and/or glucose-6-phosphate (Glc6P) binding portion thereof; (b) replacing or deleting at least one base in said three-dimensional structural representation to produce a non-naturally occuring GImS ribozyme; and then (c) optionally synthesizing said non-naturally occuring GImS ribozyme. Such compounds are useful as laboratory reagents and/or for the same, or substantially the same, purposes as GImS ribozyme.

A further aspect of the invention is a non-naturally occuring GImS ribozyme produced by the method described above. Such ribozymes are useful, among other things, as catalysts for the production of amino-sugars.

A further aspect of the invention is a computer containing and optionally displaying a virtual three-dimensional structural representation of GImS or a glucosamine-6-phosphate (GlcN6P) and/or glucose-6-phosphate (GlcόP) binding portion thereof. A further aspect of the invention is a computer containing atomic coordinates for a three-dimensional structural representation of GlmS or a glucosamine-6-phosphate (GlcN6P) and/or glucose-6-phosρhate (GlcόP) binding portion thereof

A still further aspect of the invention is a data structure, storage medium or computer- readable medium comprising atomic coordinates for a three-dimensional structural representation of GlmS or a glucosamine-6-phosphate (GlcN6P) and/or glucose-6-phosphate (Glc6P) binding portion thereof.

The foregoing and other objects and aspects of the present invention are explained in greater detail in the drawings herein and the specification set forth below.

Brief Description of the Drawings

Figure 1 Overall structure of the glmS ribozynie. a, Cartoon representation of the structure. The RNA chain 5' to the scissile phosphate (*) enters the ribozyme from this side. The only crystallographically-observed Mg2+ ion that makes multiple inner-sphere coordinations to the RNA is shown as a pink sphere, b, View rotated 180°. c, Revised secondary structure. Basepaired segments are named as in the literaturei, π, except P2.1 and P2.2, which were not predicted. Upper-case letters indicate nucleotides that are >90% conserved among known sequencess. Pl nucleotides in black outline were introduced for crystallization and are not from the natural RNA.

Figure 2 Conserved tertiary interactions that shape the glmS ribozyme. Colors and numbering in all figures follow Fig 1 , except where indicated. Dashed lines depict hydrogen bonds, a, Three-way junction between Pl₃ P2.1, and P2.2 showing side-by-side base triples (view approximately as in Fig Ib). A35 and the major grooves of P2.1 and P2.2 form the roof of the active site, b, Floor of the active site, formed by threading G66 and U67 through the closed loop between P2 and P2.1 View is downward from the scissile phosphate (compare Fig Ia). c, Oblique purine stack at the interface between P4 and P2.1.

Figure 3 Pre-cleavage active site, a, 2'-aminoadenosine inhibitor-bound active site highlighting interactions that position reactive groups for catalysis (view approximately as in Fig Ia). b, Comparison of A(— 1) and Gl, which flank the scissile phosphate, in the 2'- aminoadenosine (red) and the 2'-deoxyadenosine (black) structures. A(— 2) is present in the latter, c, Comparison with 20 the 2'-methoxyadenosine structure, (b) and (c) are rotated ~90° from (a) to emphasize the inline attack conformation. Least-squares superpositions employed with all atoms between Gl and A145, inclusive. In both comparisons, all the atoms superimposed with root-mean-square differences (rmsd) of less than 0.6 A.

Figure 4 Structure of the glmS ribozyme in the post-cleavage state, a, Backbone superposition of the pre-cleavage (blue) and post-cleavage (yellow) state structures demonstrating the absence of substantial conformational changes between the two states (view as in Fig Ib). Structures were superimposed using all atoms between Gl and Al 45, inclusive, resulting in an rmsd of 0.51 A. b, Detail of the post-cleavage active site (view as in Fig 3 a). Two crystallographicallyσrdered MES buffer molecules are shown in black. In all figures, free-floating red spheres are ordered water molecules. Gray cylinders depict coordination to the tightly-bound magnesium ion.

Figure 5 Conserved pockets adjacent to the active site, and metabolite specificity, a, b Ribozyme solvent-accessible surface (orientations correspond to Figs Ia and b). Colors denote phylogenetic conservation: green (100%), yellow (<S0%). c, Conserved pockets: portion of the 2'-aminoadenosine pre-cleavage structure (oriented as in Fig Ib), superimposed on the 2.1 Aresolution composite simulated-annealing omit 2|Fo|-|Fc| electron density map contoured at 1.2σ. d, Cw-cleavage (with or without 2 mM GlcN6P; 90 minutes at 298 K) of 32P body-labeled wildtype and point-mutant T. tengcongensis glmS RNAs, analyzed by denaturing polyacrylamide gel electrophoresis and autoradiography. All reactions included 5OmM Tris buffer.

Figure 6: The activator GlcN6P occupies the coenzyme pocket of the glmS ribozyme at high pH. Ribozymes were assembled with (A) 2'-deoxy-A(-l), (B) 2'-amino-A(-l), or (C) 2'-fluoro-A(-l) inhibitors. Simulated-annealing omit |Fb| - |Fc| electron density maps are contoured at 3.7σ, 2.5σ, and 4σ (blue mesh in A, B, C, respectively) and at 7σ, 5σ, and 7σ (red mesh in A, B₁ C, respectively). Ribozyme RNA (green), substrate RNA (orange), water molecules (red spheres) and divalent cations (silver spheres) are shown. In all figures, the scissile phosphate is flanked by an asterisk. The position of the nucleophile of the transesterification reaction (replaced in these RNA inhibitors) is marked (#). The distances from the 2'-amine and 2'-fluoro functional groups to water molecule 2 (W2) are 3.4A and 2.7A, respectively.

Detailed Description of the Preferred Embodiments

The present invention now will be described more fully hereinafter, in which preferred embodiments of the invention are discussed. This invention may, however, be embodied in many different forms and should not be construed as limited to the embodiments set forth herein; rather, these embodiments are provided so that this disclosure will be thorough and complete, and will fully convey the scope of the invention to those skilled in the art.

As will be appreciated by those of skill in the art, the present invention can take the form of an entirely hardware embodiment, an entirely software (including firmware, resident software, micro-code, etc.) embodiment, or an embodiment containing both software and hardware aspects. Furthermore, the present invention can take the form of a computer program product on a computer-usable or computer-readable storage medium having computer-usable or computer-readable program code embodied in the medium for use by or in connection with an instruction execution system. In the context of this document, a computer-usable or computer-readable medium can be any structure that can contain, store, communicate, propagate, or transport the program for use by or in connection with the instruction execution system, apparatus, or device.

The computer-usable or computer-readable medium can be, for example, but is not limited to, an electronic, magnetic, optical, electromagnetic, infrared, or semiconductor system, apparatus, device, or propagation medium. More specific examples (a nonexhaustive list) of the computer-readable medium would include the following: an electrical connection having one or more wires, a removable computer diskette, a random access memory (RAM)₇ a read-only memory (ROM), an erasable programmable read-only memory (EPROM or Flash memory), an optical fiber, and a portable compact disc read-only memory (CD-ROM). Note that the computer-usable or computer-readable medium could even be paper or another suitable medium upon which the program is printed, as the program can be electronically captured, via, for instance, optical scanning of the paper or other medium, then compiled, interpreted, or otherwise processed in a suitable manner if necessary, and then stored in a computer memory.

"GImS ribozyme" or "GImS" as used herein may be from any suitable species, typically gram positive bacteria. The GImS ribozyme may optionally contain substitution or deletion mutations that do not adversely affect ribozyme function, as is known in the art.

"Ghαcosamine-6-phosphate (GlcNόP) binding portion"" as used herein refers to that portion of the GImS ribozyme which binds glucosamine-6-ρhosphate or glucose-6-phosphate (GlcβP) (GlcN6P and Glc6P binding to the same site). Hence "glucose-6-phosphate binding portion" and "glucosamine-6-phosphate binding portion" may be used interchangeably herein.

"Gram positive bacteria" as used herein include both pathogenic and non-pathogenic gram positive bacteria, examples of which include but are not limited to Bacillus subtilis, Bacillus anthracis, Bacillus cereus, Bacillus halodurana, Bacillus subtilis, Thermoanaerobacter tengcongensis, Oceanobacillus ϊheyensis, Clostridium perfringens, Clostridium acetobutylicum, Clostridium tetani, Enterococcus faecalis, Staphylococcus epidermis, Staphyliococcus aureus, Listeria monocytogenes, Listeria innocua, Lactobacillus plantarum, etc.

"Crystal" or "crystalline" as used herein refers to molecules in a three-dimensional ordered array that diffract X-rays. Crystals may optionally include a ligand of the ribozyme, such as GlcN6P.

"Molecular Replacement" refers to the method of calculating initial phases for a new crystal of a polypeptide or polynucleotide whose structure coordinates are unknown by orienting and positioning a polypeptide or polynucleotide whose structure coordinates are known within the unit cell of the new crystal so as to best account for the observed diffraction pattern of the new crystal. Phases are then calculated from the oriented and positioned polypeptide or polynucleotide and combined with observed amplitudes to provide an approximate Fourier synthesis of the structure of the polypeptides or polynucleotides comprising the new crystal. This, in turn, is subject to any of several methods of refinement to provide a final, accurate set of structure coordinates for the new crystal (Lattman, 1985, Methods in Enzymology 115:55-77; Rossmann, 1972, "The Molecular Replacement Method," Int. Sci. Rev. Ser. No. 13, Gordon & Breach, New York; Brunger et al, 1991, Acta Crystallogr A. 47:195-204).

The disclosures of all United States patent references cited herein are to be incorporated herein by reference in their entirety.

The present invention may be carried out in accordance with known techniques such as described in, for example, US Patent No. 6,955,717 to Johnson et al. or US Patent No. 6,952,650 to Steitz et al., or US Patents Nos. 6,969,763; 6,957,150; 6,925,394; 6,826,488; and/or 6,820,011, or PCT Application WO 2006/017515; or variations thereof that will be apparent to those skilled in the art in light of the disclosure given herein.

Determination of crystal structure. In general, the initial crystal structure determination of any macromolecule, protein or RNA, requires two pieces of information obtained from the x-ray diffraction patterns of those crystals. (1) amplitudes of the structure factors and (2) the associated phase of each measured structure factor amplitude. Amplitudes are easily measured for any crystal that diffracts to a reasonable resolution (<3 or 4 Angstroms). In the absence of known atomic coordinates for the RNA of interest or a homolog of the RNA of interest, one must determine phases by preparing an additional set of "derivatized" crystals that contain a few heavy atoms in addition to the RNA. In our case we used Iodine for one crystal and Osmium for a second crystal. The diffraction differences we measure between our RNA crystals derivatized with heavy atoms and those that contain only the "native" RNA allowed us to calculate phases using the established technique of multiple isomorphous replacement. This step is often the most challenging step in any crystal structure project. We then do a fourier synthesis using both the amplitudes and phases to calculate an electron density map. We interpret that electron density map in silico to derive the three- dimensional atomic coordinates (which may be provided in a pdb file) for the RNA. Once that set of atomic coordinates is available, it can be used to bypass the heavy atom phasing step for any future crystals grown of the glmS ribozyme RNA (including those sequences from different bacterial species, homologous ribozymes, and any fragments, modifications and/or mutations thereof). The technique to bypass the heavy atom phasing step is called phasing by molecular replacement. It has been frequently used by crystallographers for the past -30 years.

The GImS ribozyme may be obtained from any suitable gram positive bacteria as described above and generated by natural or recombinant means. See, e.g., Barrick et al., Proc. Natl. Acad. ScI USA 101(17), 6421-6 (April 27. 2004). Examples of known bacterial sources for GImS ribozyme are set forth in Table 1 below and an alignment thereof is set forth in Table 2 below:

Table 2.

Ribozyme, produced either naturally, synthetically or by recombinant means, may be purified by methods known in the art, including, but not limited to, selective precipitation, dialysis, chromatography, and/or electrophoresis.

Any crystallization technique known to those skilled in the art- may be employed to obtain the crystals of the present invention, including, but not limited to, batch crystallization, vapor diffusion (either by sitting drop or hanging drop) and micro dialysis. Seeding of the crystals in some instances may be required to obtain X-ray quality crystals. Standard micro and/or macro seeding of crystals may therefore be used. In one embodiment, the crystals are obtained using the sitting-drop vapor diffusion method. Different crystallization methods can result in the formation of different crystal forms (i.e., polymorphs or solvates)., and thus, the present invention encompasses the different crystal forms.

To collect diffraction data from the crystals of the present invention, the crystals may be flash-frozen. In certain embodiments, the ribozyme crystals and ribozyme-substrate complex co-crystals of the present invention diffract to a high resolution limit of at least greater than or equal to 3.5 angstrom (A) or greater than or equal to 3 A; it should be noted that a greater resolution is associated with the ability to distinguish atoms placed closer together. In one embodiment, the ribozyme crystals and ribozyme-substrate complex co- crystals of the present invention diffract to a high resolution limit of 2.5 A to 1.0 A.

Data obtained from the diffraction pattern may be solved directly or may be solved by comparing it to a known structure as described herein.. If the crystals are in a different space group than the known structure, molecular replacement may be employed to solve the structure, or if the crystals are in the same space group, refinement and difference Fourier methods may be employed.

Any method known to those skilled in the art may be used to process the X-ray diffraction data. In addition, in order to determine the atomic structure of a ribozyme according to the present invention, multiple isomorphous replacement (MIR) analysis, model building and refinement may be performed. For MIR analysis, the crystals may be soaked in heavy-atoms to produce heavy atom derivatives necessary for MIR analysis. As used herein, heavy atom derivative or derivatization refers to the method of producing a chemically modified form of a ribozyme or ribozyme complex crystal wherein said ribozyme is specifically bound to a heavy atom within the crystal. In practice a crystal is soaked in a solution containing heavy metal atoms or salts, or organometallic compounds, e.g., lead chloride, gold cyanide, thimerosal, lead acetate, uranyl acetate, mercury chloride, gold chloride, etc., which can diffuse through the crystal and bind specifically to the ribozyme. The location(s) of the bound heavy metal atom(s) or salts can be determined by X-ray diffraction analysis of the soaked crystal. This information is used to generate MIR phase information which is used to construct the three-dimensional structure of the crystallized ribozyme of the present invention. Thereafter, an initial model of the three-dimensional structure may be built using the program O (Jones et al, 1991, Acta Crystallogr. A47:l 10-119). The interpretation and building of the structure may be further facilitated by use of the program CNS (Brunger et al, 1998, Acta Crystallogr. D54:905-921).

Atomic structure coordinates. The atomic structure coordinates can be used in molecular modeling and design in accordance with known techniques (see, e.g., US Patent No. 6,955,717 to Johnson et al. at columns 27-28), as described more fully below. The present invention encompasses the structure coordinates and other information, used to generate the three-dimensional structure of the ribozyme for use in the software programs described below and other software programs.

The invention encompasses machine readable media embedded with the three- dimensional structure of the model described herein, or with portions thereof. As used herein, "machine readable medium" refers to any medium that can be read and accessed directly by a computer or scanner. Such media include, but are not limited to: magnetic storage media, such as floppy discs, hard disc storage medium and magnetic tape; optical storage media such as optical discs or CD-ROM; electrical storage media such as RAM or ROM; and hybrids of these categories such as magnetic/optical storage media. Such media further include paper on which is recorded a representation of the atomic structure coordinates, e.g., Cartesian coordinates, that can be read by a scanning device and converted into a three-dimensional structure with an OCR.

A variety of data storage structures are available to a skilled artisan for creating a computer readable medium having recorded thereon the atomic structure coordinates of the invention or portions thereof and/or X-ray diffraction, data. The choice of the data storage structure will generally be based on the means chosen to access the stored information. In addition, a variety of data processor programs and formats can be used to store the sequence and X-ray data information on a computer readable medium. Such formats include, but are not limited to, Protein Data Bank ("PDB") format (Research Collaboratory for Structural Bioinformatics)); Cambridge Crystallographic Data Centre format; Structure-data ("SD") file format (MDL Information Systems, Inc.; Dalby et al., 1992, J. Chem. Inf. Comp. Sci. 32:244- 255), and line-notation, e.g., as used in SMILES (Weininger, 1988, J. Chem. Inf. Comp. Sci. 28:31-36). Methods of converting between various formats read by different computer software will be readily apparent to those of skill in the art, e.g., BABEL (v. 1.06, Walters & Stahl, © Copyright 1992, 1993, 1994) AU format representations of the coordinates described herein, or portions thereof, are contemplated by the present invention. By providing computer readable medium having stored thereon the atomic coordinates of the invention, one of skill in the art can routinely access the atomic coordinates of the invention, or portions thereof, and related information for use in modeling and design programs, described in detail below.

While Cartesian coordinates are important and convenient representations of the three-dimensional structure of a ribozyme, those of skill in the art will readily recognize that other representations of the structure are also useful. Therefore, the three-dimensional structure of a ribozyme, as discussed herein, includes not only the Cartesian coordinate representation, but also all alternative representations of the three-dimensional distribution of atoms. For example, atomic coordinates may be represented as a Z-matrix, wherein a first atom of. the ribozyme is chosen, a second atom is placed at a defined distance from the first atom, a third atom is placed at a defined distance from the second atom so that it makes a defined angle with the first atom. Each subsequent atom is placed at a defined distance from a previously placed atom with a specified angle with respect to the third atom, and at a specified torsion angle with respect to a fourth atom. Atomic coordinates may also be represented as a Patterson function, wherein all interatomic vectors are drawn and are then placed with their tails at the origin. This representation is particularly useful for locating heavy atoms in a unit cell. In addition, atomic coordinates may be represented as a series of vectors having magnitude and direction and drawn from a chosen origin to each atom in the ribozyme structure. Furthermore, the positions of atoms in a three-dimensional structure may be represented as fractions of the unit cell (fractional coordinates), or in spherical polar coordinates. See, e.g., US Patent No. 6,955,717 to Johnson et al..

Design of binding compounds. Binding compounds, and/or cleavage inhibitors or activators, may be designed, according to the invention, using three-dimensional structures obtained as set forth in the preceding section and the Examples section below, in accordance with known techniques {see, e.g., US Patent No. 6,952,650 to Steitz et al. at Columns 57-62 and 107-111). These structures may be used to design or screen for molecules that are able to form the desired interactions with one or more binding sites or putative binding sites.

The models of the ribozymes (and sub-regions, including active sites, binding sites or cavities thereof) described herein may be used to either directly develop a binding compound or indirectly develop a binding compound of a related ribozyme for which the structure has not yet been solved In non-limiting embodiments, the present invention provides for a model, actual or virtual, of the ribozyme (the whole ribozyme, or parts, such as a particular substrate or binding site).

A model of a binding site may be comprised in a virtual or actual structure that is smaller than, larger than, or the same size as a native ribozyme. The environment surrounding the active site model may be homologous or identical to native ribozyme, or it may be partially or completely non-homologous.

Thus, the present invention provides for a method for rationally designing a ribozyme binding compound comprising the steps of (i) producing a computer readable model of a molecule comprising a region (i.e., an active site, reactive site, or a binding site) of a ribozyme; and (ii) using the model to design a test compound having a structure and a charge distribution compatible with (i.e. able to be accommodated within or energetically favoring binding to) the ribozyme.

The atomic coordinates of atoms of the ribozyme may be used in conjunction with computer modeling using a docking program such as GRAM, DOCK, HOOK or AUTODOCK (Dunbrack et al, 1997, Folding & Design 2:27-42) to identify potential modulators. This procedure can include computer fitting of potential modulators to a model of a ribozyme to ascertain how well the shape and the chemical structure of the potential modulator will complement the active site or to compare the potential modulators with the binding of substrate or known binding compound to that site.

Computer programs may be employed to estimate the attraction, repulsion and/or steric hindrance associated with a postulated interaction between the reactive site model and the potential modulator compound. Generally, characteristics of an interaction that are associated with modulator activity include, but are not limited to, tight fit, low steric hindrance, positive attractive forces, and specificity.

Binding compounds of the present invention may also be designed by visually inspecting the three-dimensional structure of a ribozyme, a technique known in the art as "manual" drug design. Manual drug design may employ visual inspection and analysis using a graphics visualization program known in the art.

Screening for modulator compounds. As an alternative or an adjunct to rationally designing modulators, random screening of a small molecule library, a peptide library or a phage library for compounds that interact with and/or bind to a site/region of interest {i.e., a binding site, active site or a reactive site, for example) of the ribozyme may be used to identify useful compounds. Such screening may be virtual; small molecule databases can be computationally screened for chemical entities or compounds that can bind to or otherwise interact with a virtual model of an active site, binding site or reactive site of a ribozyme. Alternatively, screening can be against actual molecular models of the ribozyme.

Candidate compounds can encompass numerous chemical classes, though typically they are organic molecules, and in one embodiment they are small organic compounds having a molecular weight of more than 100 and less than about 2,500 daltons. Candidate compounds can comprise functional groups necessary for structural interaction with ribozymes, for example hydrogen bonding, and typically include at least an amine, carbonyl, hydroxyl or carboxyl group, preferably at least two of the functional chemical groups. The candidate compounds can comprise cyclical carbon or heterocyclic structures and/or aromatic or polyaromatic structures substituted with one or more of the above functional groups. Candidate agents are also found among biomolecules including peptides, saccharides, fatty acids, steroids, purines, pyrimidines, derivatives, structural analogs or combinations thereof. Particularly preferred candidate compounds are those having the characteristics of "example modulators" as described below.

Candidate compounds can be obtained from a wide variety of sources including libraries of synthetic or natural compounds. For example, numerous means are available for random and directed synthesis of a wide variety of organic compounds and biomolecules, including combinatorial chemical synthesis and the expression of randomized peptides or oligonucleotides. Alternatively, libraries of natural compounds in the form of bacterial, fungal, plant and animal extracts are available or readily produced. Additionally, natural or synthetically produced libraries and compounds are readily modified through conventional chemical, physical and biochemical means. Known pharmacological agents may be subjected to directed or random chemical modifications, such as acylation, alkylation, esterifϊcation, amidification to produce structural analogs. In one embodiment, the library is fully randomized, with no sequence preferences or constants at any position. In another, the library is biased. That is, some positions within the sequence are either held constant, or are selected from a limited number of possibilities.

For basic information on molecular modeling, see, for example, M. Schlecht, Molecular Modeling on the PC (1998) John Wiley & Sons; Gans et al., Fundamental Principals of Molecular Modeling (1996) Plenum Pub. Corp.; N.C. Cohen, ed., Guidebook on Molecular Modeling in Drug Design (1996) Academic Press; and W. B. Smith, Introduction to Theoretical Organic Chemistry and Molecular Modeling (1996). U.S. Patents which provide detailed information on molecular modeling include, for example: U.S. Pat. Nos. 6,093,573; 6,080,576; 6,075,014; 6,075,123; 6,071,700; 5,994,503; 5,884,230; 5,612,894; 5,583,973; 5,030,103; 4,906,122; and 4,812,12.

Three-dimensional modeling can include, but is not limited to, making three- dimensional representations of structures, drawing pictures of structures, building physical models of structures, and determining the structures of related ribozymes or fragments thereof using the known co-ordinates. The appropriate co-ordinates are entered into one or more computer programs for molecular modeling, as known in the art. By way of illustration, a list of computer programs useful for viewing or manipulating three-dimensional structures include: Midas (University of California, San Francisco); MidasPlus (University of California, San Francisco); MOIL (University of Illinois); Yummie (Yale University); Sybyl (Tripos, Inc.); Insight/Discover (Biosym Technologies); MacroModel (Columbia University); Quanta (Molecular Simulations, Inc.); Cerius (Molecular Simulations, Inc.); Alchemy (Tripos, Inc.); Lab Vision (Tripos, Inc.); Rasmol (Glaxo Research and Development); Ribbon (University of Alabama); NAOMI (Oxford University); Explorer Eyechem (Silicon Graphics, Inc.); Univision (Cray Research); Molscript (Uppsala University); Chem-3D (Cambridge Scientific); Chain (Baylor College of Medicine); O (Uppsala University); GRASP (Columbia University); X-Plor (Molecular Simulations, Inc.; Yale University); Spartan (Wavefunction, Inc.); Catalyst (Molecular Simulations, Inc.); Molcadd (Tripos, Inc.); VMD (University of Illinois/Beckman Institute); Sculpt (Interactive Simulations, Inc.); Procheck (Brookhaven National Library); DGEOM (QCPE); RE_VIEW (Brύnell University); Modeller (Birbeck College, University of London); Xmol (Minnesota Supercomputing Center); Protein Expert (Cambridge Scientific); HyperChem (Hypercube); MD Display (University of Washington); PKB (National Center for Biotechnology Information, NIH); ChemX (Chemical Design, • Ltd.); Cameleon (Oxford Molecular, Inc.); and Iditis (Oxford Molecular, Inc.). One approach to rational drug design (RDD) is to search for known molecular structures that might bind to a site of interest. Using molecular modeling, RDD programs can look at a range of different molecular structures of molecules that may fit into a site of interest, and by moving them on the computer screen or via computation it can be decided which structures actually fit the site well (William Bains (1998) Biotechnology from A to Z, second edition, Oxford University Press, p. 259).

An alternative but related approach starts with the known structure of a complex with a small molecule ligand and models modifications of that small molecule in an effort to make additional favorable interactions with a ribozyme or fragment.

Specialized computer programs may also assist in the process of selecting chemical entities. These include, but are not limited to:

(1) GRID (Goodford, P. J., "A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules" (1985) J. Med. Chem. 28, 849-857). Software such as GRID, a program that determines probable interaction sites between probes with various functional group characteristics and the macromolecular surface, can be used to analyze the surface sites to determine structures of similar inhibiting proteins or molecules. The GRID calculations, with suitable inhibiting groups on molecules (e.g., protonated primary amines) as the probe, are used to identify potential hotspots around accessible positions at suitable energy contour levels. GRID is available from Oxford University, Oxford, UK.

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

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

(4) DOCK (Kuntz, I. D. et al. (1982) "A Geometric Approach to Macromolecule- Ligand Interactions" J. MoI. Biol. 161 : 269-288). The program DOCK may be used to analyze an active site or ligand binding site and suggest ligands with complementary steric properties. DOCK is available from University of California, San Francisco, Calif.

(5) ALADDIN (Van Drie et al. (1989) !'ALADDIN: An Integrated Tool of Computer Assisted Molecular Design and Pharmacophore Recognition From Geometric, Steric and Substructure Searching of Three-Dimensional Structures" J. Comp-Aided MoI. Des. 3: 225). (6) CLDC (Davie and Lawrence (1992) "CLIX: A Search Algorithm for Funding Novel Ligands Capable of Binding Proteins of Known Three-Dimensional Structure" Proteins 12: 31-41).

(7) GROUPBUILD (Rotstein and Murcko (1993) "GroupBuild: A Fragment-Based Method for De Novo Drug Design"J. Med. Chem 36: 1700).

(8) GROW (Moon and Howe (1991) "Computer Design of Bioactive Molecules: A Method for Receptor-Based De Novo Ligand Design" Proteins 11: 314).

Once suitable chemical moieties or entities, compounds, or agents have been selected, they can be assembled into a single molecule. Assembly may proceed by visual inspection and/or computer modeling and computational analysis of the spatial relationship of the chemical moieties or entities, compounds or agents with respect to one another in three- dimensional space. This could then be followed by model building using software such as Quanta or Sybyl.

Useful programs to aid one of skill in the art in connecting the individual chemical entities, compounds, or agents include but are not limited to:

(1) CAVEAT (Bartlett, P. A. et al. (1989) "CAVEAT: A Program to Facilitate the Structure-Derived Design of Biologically Active Molecules". In molecular Recognition in Chemical and Biological Problems", Special Pub., Royal Chem. Soc. 78: 82-196) and (Bacon et al. (1992) J. MoI. Biol. 225: 849-858). CAVEAT uses databases of cyclic compounds which can act as "spacers" to connect any number of chemical fragments already positioned in the active site. This allows one skilled in the art to quickly generate hundreds of possible ways to connect the fragments already known or suspected to be necessary for tight binding. CAVEAT is available from the University of California, Berkeley, Calif.

(2) 3D Database systems such as MACCS-3D (MDL Information Systems, San Leandro, (Calif.). This area is reviewed in Martin, Y. C, (1992) "3D Database Searching in Drug Design", J. Med. Chem. 35: 2145-2154.

(3) HOOK (available from Molecular Simulations, Burlington, Mass.).

Instead of proceeding to build a molecule of interest in a step-wise fashion one chemical entity at a time as described above, the molecule of interest may be designed as a whole using either an empty active site or optionally including some portion or portions of a known inhibitor or inhibitors. Software that implements these methods include:

(1) LUDI (Bohm, H.-J. (1992) "The Computer Program LUDI: A New Method for the De Novo Design of Enzyme Inhibitors" J. Comp. Aid. Molec. Design 6: 61-78). The program LUDI can determine a list of interaction sites into which to place both hydrogen bonding and hydrophobic fragments. LUDI then uses a library of approximately 600 linkers to connect up to four different interaction sites into fragments. Then smaller "bridging" groups such as -CH₂- and -COO- are used to connect these fragments. For example, for the enzyme DHFR, the placements of key functional groups in the well-known inhibitor methotrexate were reproduced by LUDI. See also, Rotstein and Murcko, (1992) J. Med. Chem. 36:1700-1710.. LUDI is available from Biosym Technologies, San Diego, Calif.

(2) LEGEND (Nishibata, Y. and A. Itai (1991) Tetrahedron 47, 8985). LEGEND is available from Molecular Simulations, Burlington, Mass.

(3) LeapFrog (available from Tripos Associates, St. Louis, Mo.).

(4) Aladdin (available from Daylight Chemical Information Systems, Irvine, Calif.) Other molecular modeling techniques may also be employed in accordance with this invention. See, e.g., Cohen, N. C. et al. (1990) "Molecular Modeling Software and Methods for Medicinal Chemistry, J. Med. Chem. 33: 883-894. See also, Navia, M. A. and M. A. Murcko (1992) "The Use of Structural Information in Drug Design", Current Opinions in Structural Biology 2: 202-210; and Jorgensen (1998) "BOSS-Biochemical and Organic Simulation System" in the Encyclopedia of Computational Chemistry (P. V. R. Schleyer, ed.) Wiley & Sonstra., Athens, U.S. A. 5: 3281-3285).

It is contemplated that during modeling, it may be possible to introduce into the molecule of interest, chemical moieties that may be beneficial for a molecule that is to bε administered as a pharmaceutical. For example, it may be possible to introduce into or omit from the molecule of interest, chemical moieties that may not directly affect binding of the molecule to the target area but which contribute, for example, to the overall solubility of the molecule in a pharmaceutically acceptable carrier, the bioavailability of the molecule and/or the toxicity of the molecule. Considerations and methods for optimizing the pharmacology of the molecules of interest can be found, for example, in "Goodman and Gilman's The Pharmacological Basis of Therapeutics" Eighth Edition (Goodman, Gilman, Rail, Nies, & Taylor (eds.)). Pergaman Press (1985); Jorgensen & Duffy (2000) Bioorg. Med. Chem. Lett. 10: 1155-1158.

Furthermore, the computer program "Qik Prop" can be used to provide rapid predictions for physically significant descriptions and pharmaceutically-relevant properties of an organic molecule of interest. A ^xRule of Five' probability scheme can be used to estimate oral absorption of the newly synthesized compounds (Lipinski et al. (1997) Adv. Drug Deliv. Rev.23:3).

Programs suitable for pharmacophore selection and design include:

(1) DISCO (Abbot Laboratories, Abbot Park, 111.).

(2) Catalyst (Bio-CAD Corp., Mountain View, Calif.).

(3) Chem DBS-3D (Chemical Design Ltd., Oxford, U.K.).

Furthermore, the skilled artisan may use the information available on how to design suitable therapeutically active and pharmaceutically useful compounds, and use this information in the design of binding compounds, cleavage activators and/or inhibitors of the invention. See, for example, Lipinski et al. (1997) Ad Drug Deliv. Reviews 23: 3-25; Van de Waterbeemd et al. (1996) Quantitative Structure- Activity Relationships 15: 480-490; and Cruciani et al. (2000), Theochem-J. MoI. Struct. 503: 17-30.

The entry of the co-ordinates of the ribozyme or fragment thereof into the computer programs discussed above results in the calculation of most probable structure of the macromolecule, including overall atomic co-ordinates of a ribozyme or fragment thereof. These structures can be combined and refined by additional calculations using such programs to determine the probable or actual three-dimensional structure of the ribozyme or a fragment thereof, including potential or actual active or binding sites of ligands.

Modiβcation of Existing Molecules. Instead of designing molecules of interest entirely de novo it is contemplated that pre-existing molecules may be used as a starting point for the design of a new candidate. It is contemplated that many of the approaches useful for designing molecules de novo may also be useful for modifying existing molecules.

It is contemplated that knowledge of the spatial relationship between a binding compounds, cleavage activators and/or inhibitors, for example, an antibiotic, and its respective binding site within a ribozyme permits the design of modified inhibitors that may have better binding properties, for example, higher binding affinity and/or specificity, relative to the molecule from which it was derived. Alternatively, knowledge of inhibitor contact sites within a ribozyme permits the synthesis of a new molecule that contain, for example, a portion of a first molecule that binds to the contact site and another portion that contributes additional functionality.

It is contemplated that a variety of modified molecules (for example, modified antibiotics) may be designed using the atomic co-ordinates provided herein. For example, it is contemplated that by knowing the spatial relationship of one or more of antibiotics relative to the glmS ribozyme it is possible to generate new antibiotic-based molecules. The atomic coordinates of each antibiotic relative to the glmS ribozyme provides information on what portions of the ribozyme or fragment and the antibiotic contact one another. Accordingly, from this information the skilled artisan may not only identify contact locations within the ribozyme that can be used for de novo drug design, as discussed above, but also may identify portions of an antibiotic that can act as a ribozyme binding domain.

A molecule designed or selected as binding to a ribozyme may be further computationally optimized so that in its bound state it preferably lacks repulsive electrostatic interaction with the target region. Such non-complementary (e.g., electrostatic) interactions include repulsive charge-charge, dipole-dipole and charge-dipole interactions.

Specific computer programs that can evaluate a compound deformation energy and electrostatic interaction arE available in the art. Examples of suitable programs include: Gaussian 92, revision C (M. J. Frisch, Gaussian, Inc., Pittsburgh, Pa.); AMBER, version 4.0 (P. A. Kollman, University of California at San Francisco, Calif.); QUANTA/CHARMM (Molecular Simulations, Inc., Burlington, Mass.); OPLS-AA ("OPLS Force Fields." W. L. Jorgensen. Encyclopedia of Computational Chemistry, Schleyer, Ed.; Wiley: New York, 1998; Vol. 3, pp 1986-1989.) and Insight II/Discover (Biosysm Technologies Inc., San Diego, Calif.). These programs may be implemented, for instance, using a Silicon Graphics workstation, IRIS 4D/35 or IBM RISC/6000 workstation model 550. Other hardware systems and software packages are known to those skilled in the art.

Once a molecule of interest has been selected or designed, as described above, 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 approximate 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 analyzed for efficiency of fit to the target by the same computer methods described in detail, above.

In addition, the actual ligands, complexes or mimetics may be crystallized and analyzed using X-ray diffraction. The diffraction pattern co-ordinates are similarly used to calculate the three-dimensional interaction of a ligand and the ribozyme or fragment thereof, in order to confirm that the ligand binds to, or changes the conformation of, a particular site on the glmS ribozyme, or where the mimetic has a similar three-dimensional structure to that of a target ribozyme or a fragment thereof.

Synthesis of Lead Molecules. A lead molecule of the present invention can be, but is not limited to, at least one selected from a lipid, nucleic acid, peptide, small organic or inorganic molecule, chemical compound, element, saccharide, isotope, carbohydrate, imaging agent, lipoprotein, glycoprotein, enzyme, analytical probe, and an antibody or fragment thereof, any combination of any of the foregoing, and any chemical modification or variant of any of the foregoing. In addition, a lead molecule may optionally comprise a detectable label. Such labels include, but are not limited to, enzymatic labels, radioisotope or radioactive compounds or elements, fluorescent compounds or metals, chemiluminescent compounds and bioluminescent compounds. Well known methods may be used for attaching such a detectable label to a lead molecule. Methods useful for synthesizing lead molecules such as lipids, nucleic acids, peptides, small organic or inorganic molecules, chemical compounds, elements, saccharides, isotopes, carbohydrates, imaging agents, lipoproteins, glycoproteins, enzymes, analytical probes, antibodies, and antibody fragments are well known in the art. Such methods include the traditional approach of synthesizing one such lead molecule, such as a single defined peptide, at a time, as well as combined synthesis of multiple lead molecules in a one or more containers. Such multiple lead molecules may include one or more variants of a previously identified lead molecule. Methods for combined synthesis of multiple lead molecules are particularly useful in preparing combinatorial libraries, which may be used in screening techniques known in the art. See, e.g., US Patent No. 6,952,650 to Steitz et al.

Compounds designed or selected can be screened for activity in vitro in accordance with known techniques such as by determining whether self-cleavage of glmS ribozyme is inhibited or activated, as described in T. McCarthy, Chemistry & Biology 12, 1221-1226 (2005).

The present invention is explained in greater detail in the following non-limiting experimental, section. EXPERIMENTAL

We have now determined crystal structures of a full-length glmS ribozyme in both the precleavage and the post-cleavage states. Previously, it was shown that truncation of the Bacillus subtilis glmS 5'-UTR to one nucleotide (nt) 5' and —150 nt 3' of the scissile phosphate resulted in RNAs fully active in vitro\. Other experiments indicated that nucleotides in the loop of a proposed stem-loop Pl could be mutated without adversely affecting ribozyme function (Winkler, W. C. et al, Nature 428, 281-286 (2004)). Deletion of Pl loop residues produced active glmS RNAs comprised of two strands: a 5' substrate oligonucleotide and a 3' ribozyme. We obtained crystals of two-strand constructs of the glmS ribozyme from the thermophile Thermoanaerobacter tengcongensis (Xue, Y., et al. Thermoanaerobacter tengcongensis sp. nov., a novel anaerobic, saccharolytic, thermophilic bacterium isolated from a hot spring in Tengcong, China. Int J Syst Evol Microbiol 51, 1335- 41 (2001)). The oligonucleotides used in crystallization start either at the nucleotide following the scissile phosphate, or include one of two nucleotides preceding it. Reconstitution of a 125 nt ribozyme with these oligonucleotides produced RNAs in either the post-cleavage or pre-cleavage states, respectively. We solved the structure of the post- cleavage state at 2.1A resolution, and of three different pre-cleavage state RNAs at 2.1, 2.35, and 2.8 A resolution (Methods and Tables 3-4). GlcN6P is not observed in any of our electron density maps. However, we identify a candidate activator binding pocket through a combination of phylogenetic conservation, mutagenic and biochemical analyses.

Overall structure of the gltnS ribozyme. Three tightly packed side-by-side coaxial stacks of RNA helices are the dominant feature of glmS ribozyme tertiary structure (Fig 1). The stack encompassed by Pl and P3.1 is the longest, with 39 base-pairs that span —100 A. This stack and a smaller stack comprised of P4 and P4.1 sandwich a short central stack, P2.1. Near-parallel packing of the three stacks results in a molecule that is -50 A wide but only ~20 A deep. Most of the helices previously proposed on the basis of covariation analyses, except P2a, are observed in our crystal structures. Nucleotides predicted to form P2a instead contribute to helices P2.1 and P2.2 (Fig Ic). The revised secondary structure also differs from a more recent model which included a helix P 1.1 comprised of base-pairs between the C2-G7 and C63-G68 segments (Soukup, G. A. Core requirements for glmS ribozyme self-cleavage reveal a putative pseudoknot structure. Nucleic Acids Res. 34, 968-975 (2006)). In the crystal structures, C2-G7 instead base pair with C60-G64 (forming P2.2), leaving G65-U67 single stranded and G68 in P2. Importantly, the crystal structures completely explain the mutational data (Soukup, G. A. Core requirements for glmS ribozyme self-cleavage reveal a putative pseudoknot structure. Nucleic Acids Res. 34, 968-975 (2006)) used to derive P 1.1.

Previously, deletion analyses demonstrated that truncated glmS RNAs spanning from nucleotide —1 to the end of helix P2 retain catalytic activity (albeit at a level reduced compared to fulllength ribozymes) and GlcN6P responsiveness (Winkler, W. C. et al. Control of gene expression by a natural metabolite-responsive ribozyme. Nature 428, 281-286 (2004)). Our structures reveal that this minimal sequence folds into a compact, contiguous arrangement. This ribozyme core includes helix P2.2, which bears the scissile phosphate at its 5' end, and a double pseudoknot that positions the central helix P2.1 with its major groove cradling the scissile phosphate. Precise positioning of P2.1 creates the active site, and is accomplished by four non-helical crossovers (red lines, Fig Ic) that connect the P1-P2.2-P2 stack with P2.1, as well as by a tightly-bound metal ion (Fig Ia). These four crossovers define the two pseudoknots. This represents the second example (the first being the HDV ribozyme (Ferre-D'Amarέ, A. R. et al. Crystal structure of a hepatitis delta virus ribozyme. Nature 395, 567-574 (1998); Wadkins, T. S. et al. A nested double-pseudoknot is required for self-cleavage activity of both the genomic and antigenomic hepatitis delta viurs ribozymes. RNA 5, 720-727 (1999)) of a doubly-pseudoknotted core in a natural self-cleaving ribozyme. Indeed, the cores of the glmS and HDV ribozymes have some overall three dimensional similarity (not shown).

Nucleotides in the two upper crossovers participate in phy Io genetically invariant base triples (Fig 2a) that brace the three-way junction between Pl, P2.2 and P2.1 (the roof of the active site). G34 occupies the major groove of P2.2 where it makes a base triple with G7:C60. The RNA backbone bends sharply following G34, placing the next residue (A35) in the major groove of P2.1, where it is in turn coplanar with C36. These two coplanar, consecutive nucleobases (a variation of the A-platform motif (Cate, J. H. et al. RNA tertiary structure mediation by adenosine platforms. Science 273, 1696-1699 (1996)) form a base triple with G53. Thus, the consecutive nucleotides G34, A35, and C36 connect the P2.2 and P2.1 stacks. The highly conserved A54 and U59 make an unusual trans- Watson-Crick base- pair, which stacks on the A35:C36:G53 platform. The sequence length between the trans- paired A54 and U59 is phylogenetically variable, and the crystal structures show that these variable nucleotides would face no steric impediment to projecting away from the ribozyme core. The floor of the active site results from threading G66 and U67 through the closed loop between P2 and P2.1^" (Fig 2b). G66 and U67 are splayed apart so that their nucleobases stack on nucleotides of either of the lower crossovers (yellow and purple, Fig 2b). The lack of base specific contacts accounts for the lesser conservation of G41. G66, and U67. Our structures show that glmS RNA nucleotides 3' to the minimal ribozyme core constitute a peripheral domain comprising four helical segments: P3, P3.1, P4 and P4.1 (Fig 1). As predicted (Roth, A., Nahvi, et al. Characteristics of the glmS ribozyme suggest only structural roles for divalent metal ions. RNA, (published online February 16, 2006); Wilkinson, S. R. & Been, M. D. A pseudoknot in the 3' non-core region of the glmS ribozyme enhances self-cleavage activity. RNA 11, 1788-1794 (2005)), P3 and P3.1 stack coaxially, and form a canonical pseudoknot resembling those of plant viral genomic RNAs. Such pseudoknots (Pleij, C. W. A et al. A new principle of RNA folding based on pseudoknotting. Nucleic Acids Res. 13, 1717-1731 (1985); KoIk, M. H. et al. NMR structure of a classical pseudoknot: interplay of single- and double-stranded RNA. Science 280, 434- 438 (199S)) are characterized by two crossover loops spanning the major and minor grooves, respectively. In this glmS ribozyme, the major groove crossover consists of a single nucleotide, U79. The minor groove crossover contains an unusually large insertion that folds into P4 and P4.1. Consistent with the requirement for nucleotides 3' to the minimal ribozyme core for maximal in vitro activity (Winkler, W. C. et al. Control of gene expression by a natural metabolite-responsive ribozyme. Nature 428, 281-286 (2004)), our structures show that P4 and P4.1 form a coaxial stack that buttresses the central P2.1 stack (Fig 1). The P4- P4.1 stack is positioned by three interactions. First, the 3 '-terminal pseudoknot stacks under the core helix P2, thereby registering P4-P4.1 relative to the core. Second, Al 17 of the GNRA tetraloop that caps P4.1 makes a class I A-minor interaction (Nissen, P. et al. RNA tertiary interactions in the large ribosomal subunit: the A-minor motif. Proc. Natl. Acad. Sci. USA 98, 4899- 4903 (2001)) with Cl0:G31 of PL This positions the distal end of P4.1 relative to the core. Third, a purine stack formed by the internal loop between P4 and P4.1 directly buttresses the minor groove of P2.1 (Fig 2c). This interface differs from a stack of canonical A-minor motifs because of the oblique angle (~70°) between the axes of the purine stack and the P2.1 helix. Whereas adenosines in canonical A-minor motifs contact a single base-pair (Nissen, P. et al RNA tertiary interactions in the large ribosomal subunit: the A- minor motif. Proc. Natl. Acad. ScL USA 98, 4899- 4903 (2001)), the high obliquity of the helical axes in the glmS ribozyme allows A105 and G128 to contact two, and A104 and A127 to contact three consecutive base-pairs (Fig 2c). This is the most solvent-inaccessible interface in the ribozyme structure; the bases of C36, G37, Al 05 and Al 06 are completely buried. Association of the core and peripheral domains of the glmS ribozyme buries 2500 A2 of solvent-accessible surface area.

Pre-cleavage state. Our crystallization construct cleaves substrate oligonucleotides containing a single nucleotide 5' to the scissile phosphate in a GlcN6P-dependent manner (not shown). We replaced the 2'-hydroxyl of the phylogenetically invariant A(-l) with an isosteric 2'-amino functional group in order to trap the ribozyme in a pre-cleavage conformation. The active site of the glmS ribozyme is composed mostly of nucleotides that are absolutely conserved across phylogeny. A(— 1) and Gl occupy a channel lined by the major groove of P2.1 and the bases of G39, G40. G65 and G66 (Fig 3a). The invariant Gl stacks beneath A35 but makes no base-specific contacts. In contrast, A(— 1) makes a specific trans- sugar edge base-pair with G65, which explains the absolute conservation of both nucleotides and the deleterious effect of G65 mutants on ribozyme activity (Soukup, G. A. Core requirements for glmS ribozyme self-cleavage reveal a putative pseudoknot structure. Nucleic Acids Res. 34, 968-975 (2006)). G39 and G65 make hydrogen bonds to either of the non-bridging phosphate oxygens, thus positioning the scissile phosphate. Together, these interactions and the T-endo ribose pucker of A(— 1) twist the RNA backbone into a conformation very close to that required for an SN2 in-line attack of the scissile phosphate by the 2'-hydroxyl of A(— 1). The angle between πucleophile, electrophile and leaving group (τ), is 155° in our 2'-amino glmS precleavage structure. This is close to ideal alignment (180°) (Soukup, G. A. & Breaker, R. R. Relationship between internucleotide linkage geometry and the stability of RNA. RNA 5, 1308-1325 (1999)), and comparable to the 158° τ angle observed in pre-cleavage hairpin ribozyme structures (Rupert, P. B. & Ferre-D'Amare, A. R. Crystal structure of a hairpin ribozyme-inhibitor complex with implications for catalysis. Nature 410, 780-786 (2001); Salter, J., et al. Water in the active site of an all-RNA hairpin ribozyme and effects of Gua8 base variants on the geometry of phosphoryl transfer. Biochemistry 45, 686-700 (2006)). Therefore, the conformation of A(-l) and Gl in the glmS ribozyme structure is consistent with that expected immediately prior to the transition state of the transesterification reaction.

Crystallographically, the active site of the glmS ribozyme is devoid of metal ions. This is consistent with previous experiments showing that glmS ribozyme activity in Ca²⁺, Co²⁺, or Mn²⁺ is comparable to that in Mg²⁺ (Winkler, W. C. et al. Control of gene expression by a natural metabolite-responsive ribozyme. Nature 428, 281-286 (2004)). Even the exchange-inert complex ion cobalt hexammine supported a reduced level of glmS ribozyme activity (Roth, A., et al. Characteristics of the glmS ribozyme suggest only structural roles for divalent metal ions. RNA, (published online February 16, 2006)). The closest observed metal ion is -10 A away from the scissile phosphate. The coordination ligands of this Mg2+ ion are three nonbridging phosphate oxygens of C2, C36 and G37 and three waters, which allow the cation to stabilize close packing of P2.1 and P2.2. Thus, the requirement for divalent cations for maximal glmS ribozyme activity probably reflects a structural role. Consistent with activity of the glmS ribozyme in high monovalent cation concentrations (Roth, A., et al. Characteristics of the glmS ribozyme suggest only structural roles for divalent metal ions. RNA, (published online February 16, 2006), we found that the well-ordered Mg¹⁺ ion could be substituted by Tl⁺ (data not shown).

We solved structures of the T. tengcongensis glmS ribozyme in complex with two alternative inhibitors in which A(— 1) was replaced with either 2'-deoxyadenosine or 2'- methoxyadenosine. The structures of the 2'-deoxy and 2' -amino complexes are in excellent agreement (Fig 3b). The same active site hydrogen-bonding networks are observed in both structures and τ is ~160° in the 2'-deoxy structure. An additional 5' nucleotide, A(— 2), was included in the 2'-deoxy inhibitor to delineate the path of the RNA 5' to the scissile phosphate. A(— 2) stacks on A(— 1), and its N3 hydrogen-bonds to O2' of C2 in the minor groove of P2.2. Notably, A(— 2) is positioned on the solvent-accessible surface of the ribozyme with its 5'-OH directed away from the remainder of the RNA structure. This structure is therefore compatible with the —60 nt 5'-UTR sequence preceding the ribozyme core in natural glmS mRNAs, and explains the phylogenetic preference for adenosine at position -2.

The structures of the 2'-methoxy and 2'-amino inhibitor complexes are very similar overall with the only significant difference being the conformation of A(— 1) (Fig 3c). Compared to the other two pre-cleavage state structures, the 2'-methoxyadenosine residue is rotated ~180° about the scissile phosphate, placing the A(— 1) nucleobase in the stack below Gl where it makes no basespecific contacts that could explain preference for adenosine at— L This conformation places the O5' of A(-l) in van der Waals contact with G39, G40, A50 and U51, which would most likely cause steric clashes if a longer 5' RNA sequence were present. Moreover, the τ angle observed in the 2'-methoxy structure is 66°, which is incompatible with an SN2 transesterification (Soukup, G. A. &, Breaker, R. R. Relationship between internucleotide linkage geometry and the stability of RNA. RNA S, 1308-1325 (1999)). Therefore, it appears that the 2'-methoxy A(-l) is misfolded, possibly due to the bulk of the methyl group.

Post-cleavage state. To determine what conformational changes accompany glmS ribozyme activity, we determined the post-cleavage state structure using an oligonucleotide beginning with Gl. Remarkably, the pre- and post-cleavage structures superimpose closely (Fig 4a) with an all-atom rmsd of 0.51 A₃ which is comparable to the mean precision of our structures (Table 3). In the active site, Gl remains stacked beneath A35 (Fig 4b). However, its free 5'-OH (the leaving group of the transesterification reaction) swings around to hydrogen bond with N6 of A38. Subtle rotations of G39 and G65 are also observed, which may be due to the absence of A(-l) and the scissile phosphate to which they hydrogen bond in the pre-cleavage state (Fig 3a). Unexpectedly, the space occupied by A(— 1) in the pre- cleavage state is partially occupied by a MES buffer molecule in our post-cleavage state crystals (Fig 4b). The sulfonate of MES apparently mimics the scissile phosphate, contacting Nl of G40 and N2 of G65. Another electron density feature was modeled as the sulfonate of a second MES, which interacts with Nl of G65. Electron density maps produced from crystals grown in the absence of GlcN6P (Methods) contained both MES features, excluding the possibility that these are bound GlcN6P molecules instead.

Cleavage and activation mechanisms. By definition, allosteric ribozymes have a ligand binding site that is separate from the active site, and that must be occupied for catalysis to occur (Soukup, G. A. & Breaker, R. R. Allosteric nucleic acid catalysts. Curr Op Struct Biol 10, 318-325 (2000)). Our structures suggest that the glmS ribozyme is not an allosteric ribozyme because virtually all conserved nucleotides that could form a GlcN6P binding site are tightly clustered around the active site (Fig 5a, b). The remarkable similarity between our pre- and post-cleavage state structures further indicates that substantial structural rearrangements are unlikely to accompany catalysis. The glmS ribozyme is also unlike engineered allosteric ribozymes, which are partially unfolded in the absence of their activator ligand (Soukup, G. A. & Breaker, R. R. Curr Op Struct Biol 10, 318-325 (2000)). The in-line arrangement of substrate reactive groups in our pre-cleavage structure, even in crystals grown in the complete absence of GlcNόP (Methods), demonstrates that GlcNόP is not needed to assemble the active site into a conformation that is poised for catalysis. These conclusions are further supported by the rapid activation of the ribozyme upon addition of GlcNόP, and by the paucity of conformational differences, detected by chemical probing, between free and GlcN6P-bound glmS ribozymes (Winkler, W. C₅ et al. Nature 428, 281-286 (2004))/

It was shown previously that compounds other than GlcNόP, such as Tris, can activate glmS ribozyme cleavage in vitro, albeit to a much lesser extent than GlcNόP. All activator small molecules share a β-hydroxyl amine functional group. The importance of the pKa of the amine of GlcN6P and related compounds suggested that activation proceeds through a common mechanism in which the small molecule functions as either a general acid or base4. Such a cofactor role for GlcN6P implies that the binding site lies in close proximity to the active site. Several conserved active site nucleotides form two deep, solvent-accessible pockets. The conserved bases of Gl, C2, A35, G64 and G65 line the larger upper pocket. The smaller adjacent pocket lies between G39, G40, A50, C51, and G130 (Fig 5c). These two pockets, which expose the scissile phosphate and the leaving group of the cleavage reaction to solvent, are good candidate binding sites for GlcNόP.

We examined the effect on glmS ribozyme activation of site-directed mutations in the conserved pockets (Fig 5d). Our mutants fall into three categories. First, the GlA mutation has only modest effects on activity and specificity, consistent with the lack of guanosine- specifϊc interactions in our structures, but in contrast to previous reportsi (Fig 5d). Second, the A35U, G40C, G64C, G65C, and G66U mutants show considerable to severe impairment of cleavage both in Tris and in GlcNόP. With the exception of G40C, all of these mutations are predicted to disrupt specific structural contacts in the active site. The severe effect of mutating G40 is, however, consistent with its proximity to the reactive groups. Third, the G39C mutant displays increased activator specificity, retaining activity in the presence of GlcN6P, but completely losing activity in Tris.

The increase in activator specificity of the G39C mutant can be interpreted in two ways. Tris and GlcNόP could activate the glmS ribozyme through separate mechanisms, and the G39C mutation selectively abolishes the Tris mechanism. Alternatively, Tris and GlcNόP function through the same mechanisπw and the G39C-induced disruption of their common binding site has a differential effect on their respective affinities. Most of our mutations affect both Tris and GlcN6P activation, supporting the proposak that they function through a common mechanism. In our pre-cleavage structure, the bases of G39 and G40 are most exposed in the smaller of the two pockets on the back side of the ribozyme, making this the most likely site of action of GlcNόP. If GlcN6P is a reaction cofactor, what is its chemical role? While we cannot exclude the possibility of subtle structural rearrangements or water mediated acid-base catalysis, the surface inaccessibility of the 2'-nucleophile in the pre-cleavage state is incompatible with its direct deprotonation by GlcN6P functioning as a general base. Instead, G40 is the best candidate for a general base. Distortion of the substrate from the cry stallo graphically observed τ angle of 155° to the transition state τ of 180° may bring the 2'-hydroxyl nucleophile closer to the Nl of G40 (Fig 3a). The environment of G40 might shift the /?Ka of its imino group from the unperturbed value of ~9.5. As G40 makes no interactions with other RNA nucleotides, perhaps GlcN6P is responsible for this shift. An alternative, though not mutually exclusive, role for GlcN6P could be to serve as a general acid to protonate the solvent accessible 5'-oxo leaving group. No RNA residues appear capable of serving as a general acid, except possibly A38 whose N6 is within hydrogen bonding distance of the leaving group in the post-cleavage state. However, A38 is base paired with U51 and therefore unlikely to have a shifted pKa.

Despite the presence of saturating concentrations of GlcN6P in our crystallization conditions we did not observe well-ordered activator in any of our electron density maps. Three explanations could account for this observation. First, GlcN6P could be bound in our crystals but not ordered to the extent necessary to contribute significantly to X-ray scattering. However, it seems unlikely that GlcN6P accelerates a highly-specific self-cleavage reaction through non-specific binding. Second, the structures we observe could be misfolded and incompatible with binding. However, the in-line arrangement of substrate reactive groups in our pre-cleavage structure, and the excellent agreement of our structures with phylogenetic and biochemical data, suggest that our structures depict the glmS ribozyme in a conformation very close to that of the active RNA. Third, GlcN6P binding could be exquisitely sensitive to the chemical identity of the 2'-functional group of A(— 1), and the modifications present in our RNA inhibitors are incompatible with binding. If GlcN6P does indeed play a direct chemical role in catalysis, it is possible that the cleavage reaction cannot be inhibited in this manner without concomitantly abolishing GlcN6P binding.

Taken together, our pre- and post-cleavage state structures demonstrate remarkable conformational rigidity that is incompatible with an allosteric mechanism of activation. This work represents the starting point for further crystallographic and biochemical characterization to elucidate the chemical mode of action of this unique metabolite-activated ribozyme and to decipher the precise molecular determinants of GlcN6P binding specificity. Of particular interest will be the identification of small-molecule competitive inhibitors of self-cleavage that, in addition to serving as mechanistic probes, may have potential therapeutic value as antimicrobial agents.

METHODS

Plasmid pTtel25 (a pUC19 derivative) encodes nucleotides 23-146 of the glmS ribozyme from T. tengcongensis, preceded by two C residues and flanked by hammerhead and HDV ribozymes25, 5' and 3', respectively. The insert of pTtel25 was generated by PCR from overlapping synthetic DNA oligonucleotides. RNA was transcribed using T7 RNA polymerase from itøwHI-digested pTtel25 at 310 K (in accordance with standard techniques). Cleavage by the hammerhead and HDV ribozymes during transcription yielded a 125 nt glmS ribozyme RNA that was purified by 8M urea polyacrylamide gel electrophoresis. RNA was passively eluted into water, washed with 1 M KCl, and desalted and concentrated by ultrafiltration. RNA oligonucleotides were purchased from Dharmacon, deprotected following manufaturer's instructions, and used without further purification.

The glmS ribozyme and a 1.2-fold molar excess of either product or inhibitor oligonucleotide were mixed at final concentrations of 0.17-0.25 mM each in a buffer containing 5 mM MgCb, 4 mM GlcN6P (unless otherwise stated), and 10 mM HEPES-KOH pH 7.5, incubated for 3 minutes at 338 K, and slow-cooled to 295 K₅ before addition of 1 mM spermine-HCl. Sitting drops prepared by mixing equal volumes of this mixture and a reservoir solution containing 12- 15% (w/v) PEG 4K₅ 1 M LiCl, 100 mM MES-NaOH pH 5.2-5.8 were equilibrated by vapordiffusion at 295-303 K. Crystals grew in 2-5 days as clustered plates that radiated from a common attachment point. After dissection, single plates (of maximum dimensions of 1.5 x 0.3 x 0.1 mm³) were transferred to stabilization solution A [20% (w/v) PEG 4K, 1.2 M LiCl, 2.5 mM GlcN6P (unless otherwise stated), 5 mM MgCk and 100 mM MES-NaOH, pH 5.5], picked up in a nylon loop, and flash-frozen by plunging into liquid nitrogen. Crystals treated in this manner typically had a diffraction limit of —3.2 A. Presumably due to dehydration (Heras, B. & Martin, J. L. Post-crystallization treatments for improving diffraction quality of protein crystals. Acta Crystallogr D Biol Crystallogr 61, 1173-1180 (2005)), the diffraction limit improved to ~2 A (concomitant with shrinking of the c unit cell dimension from ~79 A to ~71 A) when crystals were instead soaked in stabilization solution B [24% (w/v) PEG 4K, 1.5 M LiCl, 2.5 mM GlcN6P (unless otherwise stated), 30 mM MgCb and 100 mM MES-NaOH, />H 5.5] for 5-10 minutes prior to flash- freezing. The crystals have the symmetry of space group P2_X2_X2 (cell parameters in Table 3) and have one glmS ribozyme-oligonucleotide complex per asymmetric unit. A heavy-atom derivative was prepared employing a post-cleavage RNA oligonucleotide in which nucleotides 11 and 12 were replaced with 5-iodo-uridine. A second derivative was obtained by soaking a post-cleavage complex crystal for 10 minutes in stabilization solution A supplemented with 10 mM pentaamine (trifluoromethanesulfonato) osmium (III) triflate (Aldrich). Diffraction data were collected at 100 K at beamlines 5.0.1 and 5.0.2 at the Advanced Light Source (ALS), and with a copper rotating-anode X-radiation source (iodine derivative). All diffraction data were processed with the HKL package (Otwinowski, Z. & Minor, W. Processing of X-ray diffraction data collected in oscillation mode. Meth. Enzymol. 276, 307-326 (1997)) (Tables 3 and 4).

Iodine and osmium sites were located by CNS (Brunger, A. T. et al. Crystallography and NMR system: a new software system for macromolecular structure determination. Acta Crystallogr. D54, 905-921 (1998)) and confirmed by isomorphous difference Patterson syntheses. Heavy atom parameters were refined and MIRAS phases calculated at 2.9 A resolution with SOLVE (Terwilliger, T. C. & Berendzen, J. Automated MAD and MIR structure solution. Acta Crystallogr. D55, 849-861 (1999)). Density modification by solvent flipping and phase extensioim to 2.2 A resulted in an electron density map of excellent quality into which -95% of the ribozyme RNA could be built30 unambiguously. The post- cleavage model was refined through cycles of torsion-angle simulated annealing, energy minimization and individual B-factor refinement, interspersed with rounds of manual rebuilding. Refinement was against structure factor amplitudes (26,273 and 2,880 structure factors in the working and test sets, respectively) and experimental phase-probability distributions using a maximum likelihood target28. Ribose puckers for 19 nucleotides were restrained to the 2'-endo conformation based on map features. All subsequent ribozyme structures were built into 2|Fo|-|F_c| and |Fo|-|Fc| electron density maps generated after rigid body refinement and simulated annealing of the post-cleavage state model against respective datasets. In all structures, all nucleotides that are conserved across phylogeny are well ordered. The only nucleotides that are completely disordered are eight nonnatural nucleotides engineered for crystallization into the loop of Pl. The bases of U6 and U 103 are the only additional RNA atoms disordered in our structures. Despite the presence of saturating concentrations of GlcN6P in our crystallization conditions we did not observe a well ordered activator in any of our electron density maps. The absence of ordered GlcN6P was confirmed using crystals of the 2 '-amino complex (assembled in the absence of GlcN6P), which grew with identical space group symmetry and unit cell dimensions in conditions that had 0, 2.5 and 50 mM GlcN6P. lFoHZty difference electron density maps calculated from diffraction data derived from these three crystals revealed no significant differences. Analogous experiments with post-cleavage RNAs gave the same results. Statistics for all structures are in Table 1. Construction of glmS ribozyme mutants, and activity assays were carried out in accordance with kown techniques._Figures were prepared with RIBBONS (Carson, M. Ribbons. Meth Enzymol. Ill, 493-505 (1997)) and GRASP (Nicholls, A., et al. GRASP- graphical representation and analysis of surface properties. Biophys. J. 64, A116-A125 (1993)).

We have also determined the 2.7-A resolution structure of the glmS ribozyme in a pre- cleavage state bound with glucose-6-phosphate (GlcβP), an analog of glucosamine-6- phosphate. GlcβP is a superb structural mimic of GlcNβP, differing only in the identity of the functional group at the 2 position of the sugar ring (N in GlcN6P and O in GlcόP). Glc6P has also been reported to be a competitive inhibitor of the glmS ribozyme with a Ki of 3.0 mM (McCarthy et al, 2005), suggesting that GlcβP and GlcNόP occupy the same binding site on the glmS ribozyme. We observe GlcόP bound in the large solvent-accessible pocket on the backside of the glmS ribozyme, where it contacts nucleotides Gl, C2 and G65. It is important to note that this binding pocket is significantly larger and more open than the ligand binding sites observed in other riboswitches. This data provides the first structural description of how the ligand binding site of the glmS ribozyme specifically recognizes a small molecule. Based on interatomic distances we infer hydrogen bonding interactions between: (1) the N 1 of Gl and the phosphate group of GlcβP, (2) the N4 of C2 and the O5 of GlcόP, (3) the Nl of G65 and the Ol of GlcβP, and (4) the O5' of Gl and the O2 of Gk6P. Bound water molecules also interact with the phosphate and O2 groups of GlcόP. The importance of the amine group of GlcN6P for catalytic activation has been previously highlighted (McCarthy et al, 2005). The O2 of GlcβP (which is replaced by the critical amine in GlcN6P) contacts one crystallographically defined water molecule, which in turn contacts a second buried water molecule that is positioned within hydrogen bonding distance of the 2'-nucleophile of A(-l). In addition, the O2 of GlcβP is adjacent to the scissile phosphate and hydrogen bonds the 5'-oxo leaving group of the cleavage reaction. Therefore, GlcNόP and these two ordered water molecules provide a potential path for proton transfer from the 2'-hydroxyl nucleophile to the 5'-oxo leaving group. The close interaction of the amine of GlcN6P with the scissile phosphate may also stabilize the transition state of the cleavage reaction. Taken together, these results explain the importance for GlcNόP for catalytic activity, provide a mechanism in which GlcN6P participates in proton transfer, and identify the key site of action on the glmS ribozyme for identifying small molecule compounds that may have antibiotic activity.

Crystals of the glmS riboayme that contain 2'-deoxyadenosine at position A(-l) were grown under standard crystallization conditions, and transferred to a solution containing 24% PEG 4K, 1.5 M LiCl, 100 mM MES, pH 5.6, 30 mM MgCl₂, and 20 mM glucose-6- phosphate for 5 minutes prior to flash freezing in liquid nitrogen. Data was collected using our in-house x-ray source to a resolution limit of 2.7 A. Overall data completeness was 96.6% (96.9% in highest shell), I/σl was 13.6 (2.5 in highest shell), Rmerge was 8.7% (40.4% in highest shell). The structure was refined to Rworking and Rfree values of 21.1% and 24.1%, respectively. Data is given as GLMS 429 below.

These data indicate that, in addition to being able to use the crystalline GlmS to obtain a structure that can be used to computationally search for other binding compounds, one can also use the crystalline GlmS ribozyme to experimentally determine binding, the location of binding, and the moieties of the ribozyme involved in binding to compounds, including but not limited to glucose-6-phosphate.

GLMS 429

CRYSTl 180.877 39.809 70.226 90.00 90.00 90.00 ORIGXl 1.000000 0.000000 0.000000 0.00000

ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALEl 0.005529 0.000000 0.000000 0-00000 SCALE2 0.000000 0.025120 -0.000001 0.00000 SCALE3 0.000000 0.000000 0.014240 0.00000 ATOM 1 O5* A -1 40.231 6.871 22.177 1.00 30.72 ATOM 2 N9 A -1 41.789 4.692 18. /13 1.00 23.19 7

ATOM 3 C4 A -1 42.791 3.882 18.248 1.00 22.43 6

ATOM 4 N3 A -1 43.980 4.269 17.762 1.00 22.05 7

ATOM 5 C2 A -1 44.701 3.216 17.406 1.00 22.60 6

ATOM 6 Nl A -1 44.391 1.916 17.476 1.00 22.77 7

ATOM 7 C6 A -1 43.188 1.564 17.974 1.00 21.54 6

ATOM 8 N6 A -1 42.888 0.272 18.045 1.00 20.95 7

ATOM 9 C5 A - -1 42.327 2.590 18.386 1.00 22.04 6

ATOM 10 N7 A -1 41.049 2.584 18.930 1.00 23.29 7

ATOM 11 C8 A -1 40.777 3.856 19.109 1.00 22.50 6

ATOM 12 C2* A -1 40.735 6.879 18.056 1.00 24.85 6

ATOM 13 C5* A -1 39.916 7.562 20.983 1.00 27.40 6

ATOM 14 C4* A -1 41.113 7.823 20.190 1.00 25.69 6

ATOM 15 O4* A -1 41.926 6.594 20.073 1.00 24.76 8

ATOM 16 Cl* A -1 41.872 6.145 18.730 1.00 24.43 6

ATOM 17 C3* A -1 40.830 8.215 18.755 1.00 24.92 6

ATOM 18 O3* A -1 41.934 8.912 18.199 1.00 24.69 8

ATOM 19 P G 1 41.841 9.494 16.709 1.00 23.32 15

ATOM 20 O1P G 1 40.405 9.571 16.331 1.00 21.75 8

ATOM 21 O2P G 1 42.770 8.706 15.873 1.00 22.57 8

ATOM 22 05* G 1 42.447 10.962 16.892 1.00 24.09 8

ATOM 23 C5* G 1 42.164 11.746 18.062 1.00 22.34 6

ATOM 24 C4* G 1 43.415 11.915 18.903 1.00 23.30 6

ATOM 25 O4* G 1 44.509 12.304 18.048 1.00 23.84 8

ATOM 26 Cl* G 1 44.881 13.635 18.306 1.00 24.05 6

ATOM 27 N9 G 1 45.051 14.294 17.024 1.00 25.32 7

ATOM 28 C4 G 1 46.064 14.042 16.137 1.00 27.79 6

ATOM 29 N3 G 1 47.081 13.169 16.320 1.00 27.16 7

ATOM 30 C2 G 1 47.896 13.136 15.276 1.00 26.76 6

ATOM 31 N2 G 1 48.953 12.327 15.280 1.00 26.47 7

ATOM 32 Nl G 1 47.729 13.896 14.148 1.00 27.35 7

ATOM 33 C6 G 1 46.687 14.795 13.934 1.00 29.12 6

ATOM 34 O6 G 1 46.621 15.421 12.866 1.00 31.27 8

ATOM 35 C5 G 1 45.806 14.847 15.048 1.00 28.53 6

ATOM 36 N7 G 1 44.661 15.605 15.258 1.00 28.50 7

ATOM 37 C8 G 1 44.251 15.247 16.446 1.00 27.28 6

ATOM 38 C2* G 1 43.907 14.256 19.310 1.00 23.79 6

ATOM 39 O2* G 1 44.662 14.959 20.267 1.00 24.49 8

ATOM 40 C3* G 1 43.274 13.022 19.941 1.00 23.55 6

ATOM 41 03* G 1 43.856 12.721 21.211 1.00 24.13 8

ATOM 42 P C 2 43.151 11.687 22.212 1.00 24.77 15

ATOM 43 O1P C 2 43.712 11.983 23.561 1.00 23.55 8

ATOM 44 O2P C 2 41.675 11.732 22.004 1.00 24.98 8

ATOM 45 05* C 2 43.701 10.270 21.734 1.00 23.95 8

ATOM 46 C5* C 2 45.096 10.004 21.722 1.00 24.61 6

ATOM 47 C4* C 2 45.350 8.515 21.654 1.00 25.36 6

ATOM 48 O4* C 2 44.794 7.976 20.424 1.00 26.82 8

ATOM 49 Cl* C 2 45.697 7.041 19.861 1.00 24.66 6

ATOM 50 Nl C 2 46.208 7.622 18.617 1.00 23.58 7

ATOM 51 C6 C 2 45.885 8.903 18.261 1.00 23.04 6

ATOM 52 C2 C 2 47.027 6.845 17.795 1.00 24.09 6

ATOM 53 02 C 2 47.294 5.689 18.144 1.00 24.38 8

ATOM 54 N3 C 2 47.500 7.374 16.640 1.00 23.18 7

ATOM 55 C4 C 2 47.174 8.628 16.301 1.00 23.64 6

ATOM 56 N4 C 2 47.650 9.109 15.158 1.00 23.87 7

ATOM 57 C5 C 2 46.341 9.441 17.124 1.00 22.33 6

ATOM 58 C2* C 2 46.789 6.793 20.902 1.00 24.59 6

ATOM 59 02* C 2 46.379 5.761 21.773 1.00 23.93 8

ATOM 60 C3* C 2 46.821 8.132 21.617 1.00 25.07 6 ATOM 61 03* C 2 47.285 7.973 22.945 1.00 26.73 8

ATOM 62 P G 3 48.775 8.413 23.323 1.00 27.25 15

ATOM 63 O1P G 3 49.142 9.478 22.359 1.00 28.21 8

ATOM 64 O2P G 3 48.810 8.690 24.781 1.00 26.87 8

ATOM 65 05* G 3 49.667 7.139 22.986 1.00 27.02 8

ATOM 66 C5* G 3 49.485 5.906 23.671 1.00 26.63 6

ATOM 67 C4* G 3 50.311 4.831 23.015 1.00 27.71 6

ATOM 68 04* G 3 49.776 4.577 21.689 1. 00 29.18 8

ATOM 69 Cl* G 3 50.837 4.257 20.799 1.00 28.18 6

ATOM 70 N9 G 3 50.914 5.294 19.782 1.00 26.01 7

ATOM 71 C4 G 3 51.742 5.287 18.697 1.00 25.04 6

ATOM 72 N3 G 3 52.615 4.312 18.378 1.00 23.77 7

ATOM 73 C2 G 3 53.284 4.594 17.277 1.00 24.15 6

ATOM 74 N2 G 3 54.200 3..744 16.814 00 22.98 7

ATOM 75 Nl G 3 53.106 5..740 16.547 00 25.94 7

ATOM 76 C6 G 3 52.213 6.755 16.859 00 24.61 6

ATOM 77 O6 G 3 52.136 7.740 16.134 00 25.82 8

ATOM 78 C5 G 3 51.492 6.469 18.038 00 25.48 6

ATOM 79 N7 G 3 50.515 7.201 18.697 00 25.82 7

ATOM 80 C8 G 3 50.202 6.464 19.725 00 25.31 6

ATOM 81 C2* G 3 52.122 4, .225 21.624 00 28.52 6

ATOM 82 02* G 3 52.347 2..901 22.052 00 28.84 8

ATOM 83 C3* G 3 51.768 5..186 22.752 1.00 28.13 6

ATOM 84 O3* G 3 52.571 4.975 23.904 1.00 28.41 8

ATOM 85 P C 4 53.825 5..940 24.196 1.00 28.41 15

ATOM 86 O1P C 4 53.524 7.290 23.672 1.00 28.30 8

ATOM 87 O2P C 4 54.198 5.775 25.627 1. 00 29.49 8

ATOM 88 O5* C 4 54.985 5.340 23.292 1.00 28.10 8

ATOM 89 C5* C 4 55.200 3.939 23.207 1.00 28.51 6

ATOM 90 C4* C 4 56.111 3.637 22.046 1.00 29.73 6

ATOM 91 O4* C 4 55.401 3.836 20.794 1.00 29.42 8

ATOM 92 Cl* C 4 56.286 4..377 19.828 1.00 29.49 6

ATOM 93 Nl C 4 55.767 5..689 19.406 1.00 30.04 7

ATOM 94 C6 C 4 54.901 6.396 20.194 1.00 29.81 6

ATOM 95 C2 C 4 56.167 6.195 18.177 1.00 28.71 6

ATOM 96 O2 C 4 56.956 5.542 17.500 1.00 30.17 8

ATOM 97 N3 C 4 55.684 7.382 17.756 1.00 29.01 7

ATOM 98 C4 C 4 54.831 8.059 18.519 1.00 28.61 6

ATOM 99 N4 C 4 54.372 9.217 18.054 1.00 28.47 7

ATOM 100 C5 C 4 54.409 7..574 19.792 1.00 29.51 6

ATOM 101 C2* C 4 57.675 4, .446 20.467 1.00 29.41 6

ATOM 102 O2* C 4 58.369 3, .265 20.146 1.00 28.15 8

ATOM 103 C3* C 4 57.323 4, .550 21.946 1.00 30,12 6

ATOM 104 03* C 4 58.357 4.084 22.808 00 32.68 8

ATOM 105 P C 5 59.643 5.005 23.093 00 34,12 15

ATOM 106 O1P C 5 59.218 6.360 23.531 00 33.56 8

ATOM 107 O2P C 5 60.607 4.242 23.926 00 34.04 8

ATOM 108 05* C 5 60.284 5.154 21.653 00 35.79 8

ATOM 109 C5* C 5 61.348 6.042 21.467 00 39,60 6

ATOM 110 C4* C 5 61.977 5.836 20.126 00 41,81 6

ATOM 111 04* C 5 61.036 6.199 19.085 00 41.80 8

ATOM 112 Cl* C 5 61.396 7.439 18.489 00 41.91 6

ATOM 113 Nl C 5 60.213 8.310 18.540 00 39.87 7

ATOM 114 C6 C 5 59.298 8.168 19.541 00 39.19 6

ATOM 115 C2 C 5 60.032 9.287 17.551 1.00 38.53 6

ATOM 116 02 C 5 60.877 9.394 16.651 1.00 36.57 8

ATOM 117 N3 C 5 58.938 10.088 17.606 1.00 36.75 7

ATOM 118 C4 C 5 58.052 9.935 18.593 1.00 36,68 6

ATOM 119 N4 C 5 56.987 10.733 18.617 1.00 34.49 7 ATOM 120 C5 C 5 58.217 8.950 19.605 1.00 38.48 6

ATOM 121 C2* C 5 62.624 8.008 19.212 1.00 43.46 6

ATOM 122 O2* C 5 63.554 8.557 18.297 1.00 45.90 8

ATOM 123 C3* C 5 63.129 6.786 19-968 1.00 44.51 6

ATOM 124 03* C 5 64.430 6.434 20.410 1.00 48.74 8

ATOM 125 P U 6 65.527 5.,918 19.359 1.00 52.69 15

ATOM 126 O1P U 6 66.104 4..697 19.982 1.00 52.47 8

ATOM 127 02P U 6 64.934 5.824 17.995 1.00 51.72 8

ATOM 128 05* ϋ 6 66.588 7.113 19.376 1.00 52.74 8

ATOM 129 ^' C5* U 6 67.989 6.873 19.343 1.00 54.05 6

ATOM 130 C4* U 6 68.508 7.153 1.7.963 1.00 55.28 6

ATOM 131 O4* U 6 67.976 6.144 17.056 1.00 56.88 8

ATOM 132 Cl* U 6 67.640 6.744 15.814 1.00 57.26 6

ATOM 133 C2* U 6 68.119 8.197 15.879 1.00 56.79 6

ATOM 134 O2* U 6 69.448 8.273 15.401 1.00 57.72 8

ATOM 135 C3* U 6 68.032 8.472 17.375 1.00 55.05 6

ATOM 136 03* U 6 68.861 9.560 17.770 1.00 52.19 8

ATOM 137 P G 7 68.227 11.034 17.903 1.00 50.63 15

ATOM 138 O1P G 7 69.283 11.969 18.365 1.00 50.10 8

ATOM 139 O2P G 7 66.960 10.924 18.669 1.00 51.53 8

ATOM 140 O5* G 7 67.852 11.421 16.407 1.00 47.80 8

ATOM 141 C5* G 7 68.855 11.510 15.408 1.00 43.53 6

ATOM 142. CA*^' G 7 68.412 12.446 14.317 1.00 40.62 6

ATOM 143 O4* G 7 67.140 11.980 13.795 1.00 39.56 8

ATOM 144 Cl* G 7 .66.322 13.091 13.475 1.00 38.90 6

ATOM 145 N9 G 7 ^' 65.178 13.092 14.380 1.00 38.50 7

ATOM 146 C4 G 7 64.129 13.979 14.353 1.00 37.83 6

ATOM 147 N3 G 7 63.960 14.976 13.460 1.00 36.85 7

ATOM 148 C2 G 7 62.865 15.674 13.700 1.00 36.69 6

ATOM 149 N2 G 7 62.543 16.707 12.906 1.00 36.84 7

ATOM 150 Nl G 7 62.003 15.416 14.736 1.00 36.61 7

ATOM 151 C6 G 7 62.154 14.402 15.672 1.00 36.27 6

ATOM 152 06 G 7 61.316 14.269 16.571 1.00 34.98 8

ATOM 153 C5 G 7 63.330 13.636 15.425 1.00 37.21 6

ATOM 154 N7 G 7 63.858 12.541 16.101 1.00 37.36 7

ATOM 155 C8 G 7 64.946 12.247 15.441 1.00 38.12 6

ATOM 156 C2* G 7 67.184 14.341 13.667 1.00 38.50 6

ATOM 157 02* G 7 67.866 14.631 12.469 1.00 38.45 8

ATOM 158 C3* G 7 68.134 13.874 14.754 1.00 38.79 6

ATOM 159 O3* G 7 69.330 14.634 14.746 1.00 38.36

ATOM 160 P G 8 69.519 15.840 15.791 1.00 38.24 15

ATOM 161 O1P G 8 69.322 15.315 17.165 1.00 37.60 8

ATOM 162 O2P G 8 7O.774 16.554 15.451 1.00 38.90 8

ATOM 163 O5* G 8 68.315 16.820 15.454 1.00 37.47 8

ATOM 164 C5* G 8 68.268 17.528 14.223 1.00 34.58 6

ATOM 165 C4* G 8 67.017 18.359 14.170 1.00 33.04 6

ATOM 166 O4* G 8 65.865 17.472 14.195 1.00 32.17 8

ATOM 167 Cl* G 8 64.839 18.045 14.991 1.00 32.49 6

ATOM 168 N9 G 8 64.623 17.182 16.150 1.00 31.32 7

ATOM 169 C4 G 8 63.566 17.239 17.022 1.00 30.14 6

ATOM 170 N3 G 8 62.532 18.101 16.956 1.00 30.44 7

ATOM 171 C2 G 8 61.672 17.923 17.948 1.00 30.91 6

ATOM 172 N2 G 8 60.578 18.698 18.036 1.00 30.35 7

ATOM 173 Nl G 8 61.815 16.974 18.928 1.00 30.70 7

ATOM 174 C6 G 8 62.867 16.068 19.018 1.00 31.47 6

ATOM 175 06 G 62.894 15.239 19.951 1.00 31.03 8

ATOM 176 C5 G 8 63.805 16.252 17.954 1.00 31.00 6

ATOM 177 N7 G 8 64.991 15.584 17.670 1.00 29.71 7

ATOM 178 C8 G 8 65.436 16.166 16.592 1.00 30.41 ATOM 179 C2* G 8 65.311 19.447 15.384 1.00 32.79 6

ATOM 180 02* G 8 64.858 20.377 14.420 1.00 32.85 8

ATOM 181 C3* G 8 66.822 19.259 15.376 1.00 32.76 6

ATOM 182 03* G 8 67.536 20.479 15.221 1.00 34.30 8

ATOM 183 P A 9 68.267 21.149 16.495 1.00 35.44 15

ATOM 184 O1P A 9 69.114 20.109 17.139 1.00 34.35 8

ATOM 185 O2P A 9 68.884 22.430 16.046 1.00 34.47 8

ATOM 186 05* A 9 67.070 21.517 17.474 1.00 33.21 8

ATOM 187 C5* A 9 66.149 22.539 17.123 1.00 32.17 6

ATOM 188 C4* A 9 65.051 22.612 18.142 1.00 31.98 6

ATOM 189 04* A 9 64.242 21.405 18.081 1.00 31.59 8

ATOM 190 Cl* A 9 63.894 21.003 19.403 1.00 31.54 6

ATOM 191 N9 A 9 64.570 19.731 19.683 1.00 30.89 7

ATOM 192 C4 A 9 64.326 18.857 20.720 1.00 30.06 6

ATOM 193 N3 A 9 63.406 18.974 21.695 1.00 30.07 7

ATOM 194 C2 A 9 63.470 17.938 22.531 1.00 27.61 6

ATOM 195 Nl A 9 64.284 16.881 22.505 1.00 28.21 7

ATOM 196 C6 A 9 65.197 16.793 21.511 1.00 28.48 6

ATOM 197 N6 A 9 66.013 15.738 21.480 1.00 27.95 7

ATOM 198 C5 A 9 65.233 17.824 20.563 1.00 29.06 6

ATOM 199 N7 A 9 66.028 18.031 19.446 1.00 30.07 7

ATOM 200 C8 A 9 65.596 19.170 18.960 1.00 31.23 6

ATOM 201 C2* A 9 64.354 22.134 20.330 1.00 30.85 6

ATOM 202 02* A 9 63.391 23.162 20.404 1.00 29.17 8

ATOM 203 C3* A 9 65.556 22.649 19.571 1.00 31.77 6

ATOM 204 O3* A 9 65.871 23.969 19.963 1.00 32.57 8

ATOM 205 P C 10 67.186 24.236 20.842 1.00 33.39 15

ATOM 206 O1P C 10 68.253 23.299 20.390 1.00 33.22 8

ATOM 207 O2P C 10 67.431 25.702 20.829 1.00 33.65 8

ATOM 208 05* C 10 66.774 23.797 22.314 1.00 32.26 8

ATOM 209 C5* C 10 65.818 24.541 23.050 1.00 30.30 6

ATOM 210 C4* C 10 65.306 23.720 24.203 1.00 29.47 6

ATOM 211 04* C 10 64.814 22.450 23.693 1.00 28.55 8

ATOM 212 Cl* C 10 64.968 21.454 24.690 1.00 27.65 6

ATOM 213 Nl C 10 65.851 20.404 24.182 1.00 25.13 7

ATOM 214 C6 C 10 66.564 20.556 23.029 1.00 22.93 6

ATOM 215 C2 C 10 65.966 19.249 24.932 1.00 24.96 6

ATOM 216 O2 C 10 65.285 19.141 25.952 1.00 24.99 8

ATOM 217 N3 C 10 66.810 18.280 24.537 1.00 26.06 7

ATOM 218 C4 C 10 67.519 18.434 23.423 1.00 24.95 6

ATOM 219 N4 C 10 68.352 17.446 23.082 1.00 25.16 7

ATOM 220 C5 C 10 67.406 19.603 22.616 1.00 22.67 6

ATOM 221 C2* C 10 65.613 22.130 25.900 1.00 28.72 6

ATOM 222 02* C 10 64.609 22.560 26.794 1.00 28.90 8

ATOM 223 C3* C 10 66.339 23.280 25.225 1.00 29.54 6

ATOM 224 O3* C 10 66.643 24.314 26.143 1.00 30.92 8

ATOM 225 P U 11 68.134 24.440 26.723 1.00 31.82 15

ATOM 226 O1P U 11 69.056 23.878 25.699 1.00 30.61 8

ATOM 227 02P U 11 68.313 25.831 27.198 1-00 30.73 8

ATOM 228 O5* U 11 68.136 23.467 27.982 .00 32.04 8

ATOM 229 C5* U 11 67.095 23.532 28.948 1.00 31.67 6

ATOM 230 C4* U 11 67.165 22.341 29.860 1.00 31.71 6

ATOM 231 04* U 11 66.932 21.132 29.096 1.00 31.24 8

ATOM 232 Cl* U 11 67.681 20.070 29.657 1.00 30.13 6

ATOM 233 Nl U 11 68.506 19.475 28.598 1.00 28.59 7

ATOM 234 C6 U 11 68.660 20.092 27.378 1.00 28.54 6

ATOM 235 C2 U 11 69.096 18.252 28.856 1.00 27.99 6

ATOM 236 02 U 11 68.996 17.681 29.926 1.00 27.07

ATOM 237 N3 U 11 69.802 17.715 27.808 1.00 27.51 ATOM 238 C4 U 11 69 . 972 18.260 26. 555 1 . 00 26. 81

ATOM 239 04 U 11 70.604 17.634 25.708 1.00 24.92 8

ATOM 240 C5 U 11 69.348 ^' 19.537 26.370 1.00 27.73 6

ATOM 241 C2* U 11 68.447 20.625 30.858 1.00 31.02 6

ATOM 242 O2* U 11 67.695 20.372 32.034 1.00 28.64 8

ATOM 243 C3* U 11 68.519 22.106 30.501 1.00 32.21 6

ATOM 244 O3* U 11 68.662 22.942 31.641 1.00 34.85 8

ATOM 245 P U 12 70.096 23.581 31.985 1.00 35.79 15

ATOM 246 O1P U 12 70.771 23.950 30.718 1.00 36.71 8

ATOM 247 O2P U 12 69.864 24.615 33.026 1.00 36.09 8

ATOM 248 O5* U 12 70.898 22.370 32.632 1.00 36.25 8

ATOM 249 C5* U 12 70.464 21.818 33.861 1.00 37.16 6

ATOM 250 C4* U 12 71.109 20.481 34.095 1.00 38.06 6

ATOM 251 O4* U . 12 70.703 19.546 33.062 1.00 37.53 8

ATOM 252 Cl* U 12 71.731 18.590 32.872 1.00 37.67 6

ATOM 253 Nl U 12 72.144 18.632 31.465 1.00 36.88 7

ATOM 254 C6 U 12 71.908 19.734 30.679 1.00 37.11 6

ATOM 255 C2 U 12 72.764 17.519 30.958 1.00 35.34 • 6

ATOM 256 02 U 12 72.997 16.542 31.633 1.00 36.17 8

ATOM 257 N3 U 12 73.100 17.594 29.630 1.00 34.63 7

ATOM 258 C4 U 12 72.883 18.658 28.780 IvOO 35.72 6

ATOM 259 04 U 12 73.233 18.576 27.602 1.00 36.07 8

ATOM 260 C5 U 12 72.247 19.783 29.388 1.00 36.41 6

ATOM 261 C2* U 12 72.856 18.943 33.847 1.00 38.40 6

ATOM 262 O2* U 12 72.641 18.206 35.033 1.00 37.55 8

ATOM 263 C3* U 12 72.621 20.438 34.035 1.00 38.59 6

ATOM 264 03* U 12 73.187 20.945 35.242 1.00 40.91 8

ATOM 265 P A 13 74.617 21.688 35.207 1.00 42.94 15

ATOM 266 O1P A 13 74.675 22.569 34.016 1.00 42.29 8

ATOM 267 O2P A 13 74.844 22.278 36.552 1.00 42.20 8

ATOM 268 O5* A 13 75.645 20.486 34.993 1.00 42.97 8

ATOM 269 C5* A 13 75.822 19.504 36.012 1.00 44.61 6

ATOM 270 C4* A 13 76.693 18.367 35.525 1.00 45.67 6

ATOM 271 O4* A 13 76.013 17.644 34.470 1.00 45.84 8

ATOM 272 Cl* A 13 76.964 17.182 33.521 1.00 45.60 6

ATOM 273 N9 A 13 76.693 17.859 32.253 1.00 44.15 7

ATOM 274 C4 A 13 77.062 17.447 30.994 1.00 41.45 6

ATOM 275 N3 A 13 77.747 16.339 30.664 1.00 39.54 7

ATOM 276 C2 A 13 77.915 16.270 29.344 1.00 39.74 6

ATOM 277 Nl A 13 77.505 17.120 28.390 1.00 39.37 7

ATOM 278 C6 A 13 76.820 18.223 28.760 1.00 38.42 6

ATOM 279 N6 A 13 76.412 19.071 27.819 1.00 35.43 7

ATOM 280 C5 A 13 76.579 18.412 30.127 1.00 40.58 6

ATOM 281 N7 A 13 75.919 19.414 30.825 1.00 42.92 7

ATOM 282 C8 A 13 76.015 19.040 32.078 1.00 43.50 6

ATOM 283 C2* A 13 78.347 17.512 34.083 1.00 45.84 6

ATOM 284 O2* A 13 78.803 16.426 34.865 1.00 45.03 8

ATOM 285 C3* A 13 78.034 18.743 34.921 1.00 46.49 6

ATOM 286 O3* A 13 79.004 18.938 35.939 1.00 49.49 8

ATOM 287 P A 14 80.191 19.997 35.716 1.00 51.73 15

ATOM 288 O1P A 14 79.683 21.157 34.934 1.00 50.88 8

ATOM 289 O2P A 14 80.816 20.223 37^'.039 1.00 51.40 8

ATOM 290 05* • A 14 81.216 19.221 34.779 1.00 52.97 8

ATOM 291 C5* A 14 81.866 18.041 35.226 1.00 54.87 6

ATOM 292 C4* A 14 82.642 17.425 34.090 1.00 56.99 6

ATOM 293 O4* A 14 81.712 16.965 33.072 1.00 57.30 8

ATOM 294 Cl* A 14 82.285 17.143 31.784 1.00 57.33 6

ATOM 295 N9 A 14 81.437 18.069 31.030 1.00 56.31 7

ATOM 296. C4 A 14 81.199 18.031 29.677 1.00 55.74 6 ATOM 297 N3 A 14 81.682 17.145 28.788 1.00 56.21

ATOM 298 C2 A 14 81.238 17.422 27.561 1.00 55.97 6

ATOM 299 Nl A 14 80.428 18.408 27.154 1.00 54.90 7

ATOM 300 C6 A 14 79.961 19.280 28.074 1.00 54.52 6

ATOM 301 N6 A 14 79.156 20.263 27.670 1.00 54.31 7

ATOM 302 C5 A 14 80.356 19.096 29.412 1.00 54.74 6

ATOM 303 N7 A 14 80.064 19.793 30.576 1.00 54.69 7

ATOM 304 C8 A 14 80.727 19.146 31.504 1..00 55.93 6

ATOM 305 C2* A 14 83.703 17.677 31.997 1.00 58.26 6

ATOM 306 02* A 14 84.630 16.607 32.042 1.00 58.42 8

ATOM 307 . C3* A 14 83.552 18.380 33.337 1.00 58.40 6

ATOM 308 03* A 14 84.800 18.571 33.988 1.00 60.62 8

ATOM 309 P A 15 85.614 19.933 33.742 1.00 62.41 15

ATOM 310 O1P A 15 84.647 21.050 33.868 1.00 62.86 8

ATOM 311 02P A 15 86.818 19.914 34.603 1.00 63.02 8

ATOM 312 O5* A 15 86.080 19.826 32.222 1.00 63.13 8

ATOM 313 C5* A 15 86.970 18.790 31.814 1.00 65.45 6

ATOM 314 C4* A 15 87.145 18.794 30.312 1.00 66.94 6

ATOM 315 O4* A 15 85.908 18.395 29.660 1.00 67.04 8

ATOM 316 Cl* A 15 85.791 13.067 28.413 1.00 66.93 6

ATOM 317 N9 A 15 84.610 19.930 28.457 1.00 66.06 7

ATOM 318 C4 A 15 83.853 20.309 27.375 1.00 65.26 6

ATOM 319 N3 A 15 84.021 19.941 26.092 1.00 64.53 7

ATOM 320 C2 A 15 83.107 20.518 25.314 1.00 64.17 6

ATOM 321 Nl A 15 82.118 21.357 25.646 1.00 64.00 7

ATOM 322 C6 A 15 81.977 21.707 26.945 1.00 64.61 6

ATOM 323 A 15 80.994 22.545 27.277 1.00 64.26 7

ATOM 324 C5 A 15 82.884 21.162 27.873 1.00 65.15 6

ATOM 325 N7 A 15 83.016 21.307 29.249 1.00 65.33 7

ATOM 326 C8 A 15 84.047 20.552 29.546 1.00 65.89 6

ATOM 327 C2* A 15 87.063 19.896 28.233 1.00 67.67 6

ATOM 328 02* A 15 88.028 19.165 27.501 1.00 67.62 8

ATOM 329 C3* A 15 87.458 20.138 29.683 1.00 68.18 6

ATOM 330 O3* A 15 88.826 20.492 29.823 1.00 70.41 8

ATOM 331 P G 16 89.242 22-044 29.844 1.00 71-.96 15

ATOM 332 OlP G 16 90.673 22.107 30.236 1.00 72.76 8

ATOM 333 O2P G 16 88.234 22.780 30.650 1.00 72.28 8

ATOM 334 O5* G 16 89.105 22.493 28.318 1.00 72.15 8

ATOM 335 C5* G 16 89.877 21.859 27.303 1.00 73.41 6

ATOM 336 C4* G 16 89.355 22.225 25.932 1.00 74.62 6

ATOM 337 04* G 16 88.004 21.718. 25.776 1.00 74.75 8

ATOM 338 Cl* G 16 87.252 22.612 24.970 1.00 74.58 6

ATOM 339 N9 G 16 86.155 23.141 25.774 1.00 74.10 7

ATOM 340 C4 G 16 85.015 23.747 25.303 1.00 73.91 6

ATOM 341 H3 G 16 84.698 23.943 24.005 1.00 73.94 7

ATOM 342 C2 G 16 83.536 24.563 23.868 1.00 74.29 6

ATOM 343 N2 G 16 83.066 24.842¹ 22.644 1.00 74.64 7

ATOM 344 Nl G 16 82.749 24.956 24.921 1.00 74.56 7

ATOM 345 C6 G 16 83.057 24.765 26.265 1.00 74.39 6

ATOM 346 O6 G 16 82.277 25.163 27.136 α.oo 74.94 8

ATOM 347 C5 G 16 84.300 24.102 26.427 l.oo- 73.83 6

ATOM 348 Nl G 16 84.971 23.720 27.579 1.00 73.31 7

ATOM 349 C8 G 16 86.062 23; 151 27.145 1.00 73.52 6

ATOM 350 C2* G 16 88.208 23.712 24.506 1.00 74.90 6

ATOM 351 02* G 16 88.780 23.361 23.263 1.00 74.66 8

ATOM 352 C3* G 16 89.232 23.710 25.631 1.00 75.28 6

ATOM 353 O3* G 16 90.473 24.247 25.189 1.00 76.93 8

ATOM 354 P. C 17 90.796 25.806 25.418 1.00 77.79 15

ATOM 355 O1P C • 17 90.310 26.171 26.774 1.00 77.08 8 ATOM 356 02P C 17 92.229 26.010 25.073 1.00 77.45 8

ATOM 357 O5* C 17 89.884 26.555 24.342 1.00 77.38 8

ATOM 358 CS* C 17 90.074 26.338 22.947 1.00 77.86 6

ATOM 359 C4* C 17 88.894 26.866 22.161 1.00 78.51 6

ATOM 360 O4* C 17 87.695 26.146 22.549 1.00 78.55 8

ATOM 361 Cl* C 17 86.574 27.016 22.490 1.00 78.44 6

ATOM 362 Nl C 17 86.024 27.157 23.848 1.00 78.27 7

ATOM 363 C6 C 17 86.737 26.747 24.941 1.00 77.35 6

ATOM 364 C2 C 17 84.756 27.731 24.004 1.00 77.50 6

ATOM 365 O2 C 17 84.129 28.087 22.990 1.00 76.27 8

ATOM 366 N3 C 17 84.250 27.881 25.251 1.00 77.04 7

ATOM 367 C4 C 17 84.959 27.481 26.312 1.00 76.85 6

ATOM 368 N4 C 17 84.425 27.651 27.522 1.00 76.58 7

ATOM 369 C5 C 17 86.248 26.890 26.178 1.00 76.83 6

ATOM 370 C2* C 17 87.070 28.351 21.938 1.00 78.45 6

ATOM 371 02* C 17 86.906 28.365 20.537 1.00 77.75 8

ATOM 372 C3* C 17 88.529 28.326 22.377 1.00 79.03 6

ATOM 373 O3* C 17 89.326 29.190 21.577 1.00 80.60 8

ATOM 374 P C 18 89.640 30.683 22.086 1.00 81.68 15

ATOM 375 O1P C 18 90.123 30.583 23.488 1.00 81.10 8

ATOM 376 O2P C 18 90.486 31.340 21.061 1.00 81.61 8

ATOM 377 05* C 18 88.220 31.408 22.090 1.00 83.36 8

ATOM 378 C5* C 18 87.579 31.766 20.869 1.00 85.89 6

ATOM 379 C4* C 18 86.284 32.497 21.146 1.00 88.26 6

ATOM 380 O4* C 18 85.366 31.616 21.846 1.00 88.58 8

ATOM 381 Cl* C 18 84.535 32.383 22.705 1.00 88.92 6

ATOM 382 Nl C 18 84.701 31.895 24.081 1.00 88.69 7

ATOM 383 C6 C 18 85.751 31.089 24.423 1.00 88.12 6

ATOM 384 C2 C 18 83.757 32.272 25.043 1.00 88.89 6

ATOM 385 O2 C 18 82.815 33.008 24.704 1.00 89.04 8

ATOM 386 N3 C 18 83.894 31.829 26.314 1.00 88.61 7

ATOM 387 C4 C 18 84.923 31.043 26.638 1.00 88.42 6

ATOM 388 N4 C 18 85.018 30.630 27.904 1.00 88.08 7

ATOM 389 C5 C 18 85.900 30.645 25.677 1.00 88.35 6

ATOM 390 ^" C2* C 18 84.945 33.849 22.554 1.00 89.53 6

ATOM 391 O2* C 18 84.088 34.486 21.628 1.00 89.51 8

ATOM 392 C3* C ^•18 86.380 33.711 22.057 1.00 89.85 6

ATOM 393 03* C 18 86.801 34.870 21.344 1.00 92.05 8

ATOM 394 P A 19 87.629 36.017 22.109 • 1.00 93.76 15

ATOM 395 O1P A 19 88.340 35.358 23.235 1.00 93.77 8

ATOM 396 O2P A 19 88.405 36.771 21.092 1.00 93.48 8

ATOM 397 O5* A 19 86.509 36.977 22.720 1.00 95.64 8

ATOM 398 C5* A 19 85.614 37.694 21.867 1.00 98.00 6

ATOM 399 C4* A 19 84.322 38.018 22.591 1.00 99.61 6

ATOM 400 O4* A 19 83.774 36.796 23.158 1.00100.25 8

ATOM 401 Cl* A 19 83.016 37.111 24.317 1.00100.67 6

ATOM 402 N9 A 19 83.541 36.353 25.451 1.00100.53 7

ATOM 403 C4 A 19 82.950 36.262 26.688 1.00100.51 6

ATOM 404 N3 A 19 81.801 36.836 27.088 1.00 99.90 7

ATOM 405 C2 A 19 81.538 36.527 28.358 1.00 99.70 6

ATOM 406 Nl A 19 82.241 35.765 29.209 1.00 99.97 7

ATOM 407 ce A 19 83.391 35.202 28.774 1.00100.17 6

ATOM 408 Nβ A 19 84.092 34.440 29.620 1.00 99.40 7

ATOM 409 C5 A 19 83.782 35.455 27.444 1.00100.48 6

ATOM 410 N7 A 19 84.879 35.046 26.697 1.00100.75 7

ATOM 411 C8 A 19 84.688 35.605 25.526 1.00100.57 6

ATOM 412 C2* A 19 83.118 38.620 24.538 1.00100.83 6

ATOM 413 O2* A 19 81.980 39.262 23.995 1.00100.87 8

ATOM 414 C3* A 19 84.404 38.953 23.790 1.00100.52 6 ATOM 415 03* A 19 84.387 40.320 23.392 1.00101.25 8

ATOM 416 P U 20 84.815 41.464 24.443 1.00101.79 15

ATOM 41.7 O1P U 20 84.623 42.778 23.775 1.00101.78 8

ATOM 418 O2P U 20 86.154 41.099 24.980 1.00101.79 8

ATOM 419 05* U 20 83.753 41.353 25.631 1.00101.05 8

ATOM . 420 C5* ϋ 20 82.461 41.965 25.545 1.00 99.58 6

ATOM 421 C4* ϋ 20 81.746 41.863 26.879 1.00 98.80 6

ATOM 422 04* ϋ 20 81.627 40.457^' 27.239 1.00 98.08 8

ATOM 423 Cl* U 20 81.923 40.281 28.617 1.00 97.12 6

ATOM 424 Nl U 20 83.186 39.531 28.716 1.00 95.22 7

ATOM 425 C6 U 20 84.038 39.432 27.637 1.00 93.59 6

ATOM 426 C2 U 20 83.494 38.928 29.924 1.00 94.11 6

ATOM 427 02 U 20 82.767 38.992 30.906 1.00 92.80 8

ATOM 428 N3 U 20 84.689 38.246 29.939 1.00 92.90 7

ATOM 429 C4 U 20 85.586 38.111 28.891 1.00 91.99 6

ATOM 430 04 U 20 86.621 37.464 29.057 1.00 89.88 8

ATOM 431 C5 U 20 85.193 38.763 27.682 1.00 92.14 6

ATOM 432 C2* ϋ 20 81.995 41.676 29.240 1.00 97.88 6

ATOM 433 02* ϋ 20 80.721 42.054 29.721 1.00 97.46 8

ATOM 434 C3* ϋ 20 82.474 42.508 28.053 1.00 98.68 6

ATOM 435 03* U .20 82.137 43.889 28.184 1.00 98.68 8

ATOM 436 P G 23 74.774 31.935 33.477 1.00 98.92 15

ATOM 437 01P G 23 73.387 32.294 33-885 1.00 98.51 8

ATOM 438 O2P G 23 75.125 30.509 33.235 1.00 98.^'47 8

ATOM 439 05* G 23 75.153 32.780 32.179 1.00 97.02 8

ATOM 440 C5* G 23 74.338 33.870 31.758 1.00 95.07 6

ATOM 441 C4* G 23 74.801 34.393 30.416 1.00 93.41 6

ATOM 442 04* G 23 76.123 34.980 30.542 1.00 93.42 8

ATOM 443 Cl* G 23 76.825 34.829 29.317 1.00 93.10 6

ATOM 444 N9 G 23 78.052 34.082 29.573 1.00 93.57 7

ATOM 445 C4 G 23 79.045 33.825 28.659 1.00 93.61 6

ATOM 446 N3 G 23 79.061 34.231 27.371 1.00 93.50 7

ATOM 447 C2 G 23 80.150 33.825 ^"26.737 1.00 93.81 6

ATOM 448 N2 G 23 80.330 34.144 25.445 1.00 93.15 7

ATOM 449 Nl G 23 81.143 33.077 27.323 1.00 94.02 7

ATOM 450 C6 G 23 81.146 32.646 28.648 1.00 94.09 6

ATOM 451 06 G 23 82.094 31.972 29.075 1.00 94.58 8

ATOM •452 C5 G 23 79.983 33.077 29.340 1.00 93.84 6

ATOM 453 N7 G 23 79.591 32.874 30.658 1.00 93.63 7

ATOM 454 C8 G 23 78.443 33.489 30.751 1.00 93.49 6

ATOM 455 C2* G ^' 23 75.900 34.095 28.344 1.00 92.51 6

ATOM 456 02* G 23 75.^'228 35.023 27.516 1.00 92.46 8

ATOM 457 C3* G 23 74.969 33.367 29.307 1.00 92.13 6

ATOM 458 03* G 23 73.726 33.062 28.689 1.00 89.63 8

ATOM 459 P G 24 73.590 31.743 27.782 1.00 87.06 15

ATOM 460 O1P G 24 72.199 31.726 27.263 1.00 87.10 8

ATOM 461 02P G 24 74.107 30.576 28.543 1.00 86.49 8

ATOM 462 05* G 24 74.555 32.026 26.547 1.00 85.59 8

ATOM 463 C5* G 24 74.135 32.874 25.482 1.00 82.65 6

ATOM 464 C4* G 24 75.040 32.704 24.287 1.00 80.31 6

ATOM 465 04* .G 24 76.375 33.168 24.631 1.00 80.05 8

ATOM A66 Cl* G 24 77.341 32.384 23.947 1.00 79.02 6

ATOM 467 N9 G 24 78.114 31.640 24.936 1.00 78.32 7

ATOM 468 C4 G 24 79.338 31.049 24.733 1.00 77.61 6

ATOM 469 N3 G 24 80.045 31.067 23.584 1.00 77.28 7

ATOM 470 C2 G 24 81.187 30.409 23.696 1.00 77.01 6

ATOM 471 N2 G 24 82.018 30.329 22.646 1.00 77.68 7

ATOM 472 Nl G 24 81.600 29.782 24.845 1.00 75.62 7

ATOM 473 C6 G 24 80.890 29.749 26.038 1.00 75.72 6 ATOM 474 06 G 24 81.355 29.152 27.011 1.00 75.24

ATOM 475 C5 G 24 79.662 30.454 25.934 1.00 76.89 6

ATOM 476 N7 G 24 78.663 30.669 26.876 1.00 76.84 7

ATOM All C8 G 24 77.768 31.377 26.241 1.00 77.44 6

ATOM 478 C2* G 24 76.565 31.440 23.031 1.00 79.16 6

ATOM 479 O2* G 24 76.337 32.055 21.777 1.00 79.33 8

ATOM 480 C3* G 24 75.278 31.278 23.818 1.00 78.93 6

ATOM 481 03* G 24 74.237 30.776 22.991 1.00 76.75 8

ATOM 482 P C 25 74.093 29.186 22.786 1.00 74.86 15

ATOM 483 OlP C 25 74.154 28.568 24.138 1.00 73.89 8

ATOM 484 O2P C 25 72.924 28.928 21.909 1.00 74.92 8

ATOM 485 O5* C 25 75.408 28.772 21.983 1.00 72.97 8

ATOM 486 C5* C 25 75.637 29.236 20.650 1. 00 69.48 6

ATOM 487 C4* C 25 76.924 28.655 20.105 1.00 67.19 6

ATOM 488 O4* C 25 78.046 29.134 20.897 1.00 66.05 8

ATOM 489 Cl* C 25 79.004 28.097 21.052 1.00 65.34 6

ATOM 490 Nl C 25 79.076 27.747 22.481 1.00 64.28 7

ATOM 491 C6 C 25 78.066 28.088 23.337 1.00 63.35 6

ATOM 492 C2 C 25 80.194 27.053 22.951 00 63.45 6

ATOM 493 02 C 25 81.094 26.755 22.154 00 63.43 8

ATOM 494 N3 C 25 80.265 26.723 24.260 00 62.90 7

ATOM 495 C4 C 25 79.273 27.059 25.086 00 62.53 6

ATOM 496 N4 C 25 79.386 26.715 26.371 00 61.57 7

ATOM 497 C5 C 25 78.122 27.765 24.633 00 62.47 6

ATOM 498 C2* C 25 78.540 26.922 20.190 00 65.63 6

ATOM 499 O2* C 25 79.122 26.991 18.903 00 65.17 8

ATOM 500 C3* C 25 77.033 27.141 20.183 1.00 66.26 6

ATOM 501 03* C 25 76.401 26.503 19.079 1.00 65.38 8

ATOM 502 P U 26 76.030 24.941 19.176 1.00 64.75 15

ATOM 503 O1P U 26 75.468 24.704 20.533 1.00 64.47 8

ATOM 504 O2P U 26 75.249 24.549 17.974 1.00 64.39 8

ATOM 505 O5* U 26 77.441 24.208 19.115 1.00 63.07 8

ATOM 506 C5* U 26 78.266 24.296 17.961 1.00 59.88 6

ATOM 507 C4* U 26 79.497 23.459 18.161 1.00 58.15 6

ATOM 508 O4* U 26 80.329 24.060 19.188 1.00 57.17 8

ATOM 509 Cl* U 26 80.917 23.041 19.978 1.00 56.64 6

ATOM 510 Nl U 26 80.417 23.188 21.350 1.00 56.14 7

ATOM 511 C6 U 26 79.330 23.972 21.631 1.00 56.82 6

ATOM 512 C2 ϋ 26 81.078 22.507 22.346 1.00 56.62 6

ATOM 513 02 U 26 82.044 21.802 22.133 00 57.15 8

ATOM 514 N3 U 26 80.564 22.680 23.607 00 57.36 7

ATOM 515 C4 U 26 79.478 23.450 23.961 00 57.03 6

ATOM 516 04 U 26 79.134 23.508 25.142 00 55.85 8

ATOM 517 C5 U 26 78.848 24.123 22.869 00 57.03 6

ATOM 518 C2* U 26 80.517 21.701 19.359 00 56.85 6

ATOM 519 02* U 26 81.485 21.278 18.423 00 56.35 8

ATOM 520 C3* U 26 79.205 22.068 18.690 1.00 57.28 6

ATOM 521 03* U 26 78.890 21.178 17.636 1.00 57.10 8

ATOM 522 P U 27 78.187 19.779 17.971 1.00 57.44 15

ATOM 523 O1P ϋ 27 77.973 19.063 16.686 1.00 57.18 8

ATOM 524 02P U 27 77.038 20.043 18.874 1. 00 56.36 8

ATOM 525 05* U 27 79.293 18.980 18.783 1, 00 55.41 8

ATOM 526 C5* U 27 80.447 18.490 18.131 1.00 54.13 6

ATOM 527 C4* U 27 81.253 17.661 19.088 1.00 53.85 6

ATOM 528 04* U 27 81.706 18.503 20.179 1.00 52.94 8

ATOM 529 Cl* U 27 81.671 17.773 21.392 1.00 51.62 6

ATOM 530 Nl U 27 80.729 18.446 22.296 1.00 49.48 7

ATOM 531 C6 U 27 79.781 19.317 21.817 1.00 48.89 6

ATOM 532 C2 U 27 80.836 18.188 23.647 1.00 49.00 6 ATOM 533 02 U 27 81.650 17.407 24.109 1.00 49.37 8

ATOM 534 N3 U 27 79.954 18.878- 24.441 1.00 47.66 7

ATOM 535 C4 U 27 78.995 19.774 24.029 1.00 46.73 6

ATOM 536 04 U 27 78.291 20.330 24.868 1.00 45.93 8

ATOM 537 C5 U 27 78.934 19.975 22.616 1.00 47.39 6

ATOM 538 C2* U 27 81.279 16.338 21.040 1.00 52.94 6

ATOM 539 O2* U 27 82.449 15.583 20.799 1.00 52.38 8

ATOM 540 C3* U 27 80.468 16.560 19.772 1.00 53.90 6

ATOM 541 03* U 27 80.431 15.404 18.952 1.00 55.29 8

ATOM 542 P U 28 79.260 14.327 19.153 1.00 56.44 15

ATOM 543 O1P ϋ 28 79.421 13.293 18.099 1.00 55.95 8

ATOM 544 02P U 28 77.976 15.073 19.264 1.00 55.71 8

ATOM 545 05* U 28 79.609 13.653 20.556 1.00 55.34 8

ATOM 546 C5* ϋ 28 80.755 12.817 20.691 1.00 54.16 6

ATOM 547 C4* U 28 80.952 12.424 22.136 1.00 53.61 6

ATOM 548 O4* U 28 81.250 13.608 22.922 1.00 53.67 8

ATOM 549 Cl* u ^• 28 80.659 13.494 24.207 1.00 52.51 .6

ATOM 550 Nl U 28 79.651 14.555 24.340 1.00 51.37 7

ATOM 551 C6 U 28 79.099 15.162 23.231 1.00 49.34 6

ATOM 552 C2 U 28 79.274 14.927 25.618 1.00 50.25 6

ATOM 553 02 ϋ 28 79.731 14.407 26.621 1.00 50.42 8

ATOM 554 N3 ϋ 28 78.341 15.932 25.678 1.00 48.23 7

ATOM 555 C4 ^• U 28 77.756 16.582 24.614 1.00 47.46 6

ATOM 556 04 U 28 76.933 17.466 24.833 1.00 46.59 8

ATOM 557 C5 U 28 78.190 16.136 23.322 1.00 47.85 6

ATOM 558 C2* U 28 80.059 12.092 24.295 1.00 53.13 6

ATOM 559 02* U 28 81.028 11.206 24.815 1.00 53.16 8

ATOM 560 C3* U 28 79.744 11.817 22.830 1.00 53.18 6

ATOM 561 O3* U 28 79.637 10.424 22.561 1.00 52.73 8

ATOM 562 P A 29 78.189 9.727 22.558 1.00 51.56 15

ATOM 563 O1P A 29 78.352 8.326 22.106 1.00 52.77 8

ATOM 564 O2P A 29 77.251 10.618 21.838 1.00 52.36 8

ATOM 565 05* A 29 77.777 9.711 24.094 1.00 50.00 8

ATOM 566 C5* A 29 78.616 9.106 25.064 1.00 47.59 6

ATOM 567 C4* A 29 78.151 9.472 26.452 1.00 46.75 6

ATOM ^■ 568 O4* A 29 78.344 10.890 26.701 1.00 46.52 8

ATOM 569 Cl* A 29 77.369 11.339 27.633 1.00 45.54 6

ATOM 570 N9 A 29 76.661 12.474 27.050 1.00 44.07 7

ATOM 571 C4 A 29 75.962 13.432 27.741 1.00 42.77 6

ATOM 572 N3 A 29 75.784 13.510 29.069 1.00 42.00 7

ATOM 573 C2 A 29 75.061 14.581 29.380 1.00 41.53 6

ATOM 574 Nl A 29 74.537 15.513 28.575 1.00 40.61 7

ATOM 575 C6 A 29 74.735 15.402 27.245 1.00 40.65 6

ATOM 576 N6 A 29 74.215 16.329 26.441 1.00 38.80 7

ATOM 577 C5 A 29 75.483 14.310 26.787 1.00 41.75 6

ATOM 578 N7 A 29 75.863 13.907 25.515 1.00 42.94 7

ATOM 579 C8 A 29 76.556 12.815 25.726 1.00 44.02 6

ATOM 580 C2* A 29 76.446 10.156 27.936 1.00 45.82 6

ATOM 581 O2* A 29 76.843 9.521 29.135 1.00 45.36 8

ATOM 582 C3* A 29 76.672 9.280 26.714 1.00 46.03 6

ATOM 583 O3* A 29 76.383 7.929 26.995 1.00 45.88 8

ATOM 584 P A 30 74.918 7.369 26.693 1.00 46.46 15

ATOM 585 O1P A 30 74.495 7.940 25.386 1.00 45.99 8

ATOM 586 O2P A 30 74.940 5.895 26.879 1.00 46.84 8

ATOM 587 05* A 30 74.027 8.021 ^'27.842 1.00 44.67 8

ATOM 588 C5* A 30 74.212 7.651 29.203 1.00 42.98 6

ATOM 589 C4* A^"- 30 73.438 8.579 30.105 1.00 42.28 6

ATOM 590 O4* A 30 73.883 9.944 29.871 1.00 42.50 8

ATOM 591 Cl* A 30 72.798 10.842 30.064 1.00 41.21 6 ATOM 592 N9 A 30 72.585 11.604 28.829 1.00 38.90 7

ATOM 593 C4 A 30 72.056 12.872 28.739 1.00 37.52 6

ATOM 594 N3 A 30 71.645 13.662 29.749 1.00 36.77 7

ATOM 595 C2 A 30 71.179 14.816 29.282 1.00 33.87 6

ATOM 596 Nl A 30 71.084 15.242 28.018 1.00 33.29 7

ATOM 597 C6 A 30 71.507 14.428 27.026 1.00 33.36 6

ATOM 598 N6 A 30 71.413 14.856 25.767 1.00 30.24 7

ATOM 599 C5 A 30 72.023 13.173 27.387 1.00 35.24 6

ATOM 600 N7 A 30 72.526 12.120 26.638 1.00 35.82 7

ATOM 601 C8 A 30 72.848 11.218 27.537 1.00 37.82 6

ATOM 602 C2* A 30 71.590 9.997 30.471 1.00 41.87 6

ATOM 603 02* A 30 71.520 9.924 31.880 1.00 43.19 8

ATOM 604 C3* A 30 71.942 8.650 29.856 1.00 42.31 6

ATOM 605 03* A 30 71.257 7.584 30.506 1.00 42.87 8

ATOM 606 P G 31 69.692 7.340 30.205 1.00 43.25 15

ATOM 607 O1P G 31 69.505 7.132 28.742 1.00 41.59 8

ATOM 608 02P G 31 69.187 6.318 31.164 1.00 43.90 8

ATOM 609 05* G 31 69.037 8.733 30.606 1.00 41.12 8

ATOM 610 C5* G 31 67.872 9.220 29.962 1.00 37.10 6

ATOM 611 C4* G 31 67.584 .10.619 30.436 1.00 35.04 6

ATOM 612 04* G 31 68.637 11.521 29.999 1.00 34.92 8

ATOM 613 Cl* G 31 68.080 12.788 29.699 1.00 33.39 6

ATOM 614 N9 G 31 68.265 13.022 28.275 1.00 32.55 7

ATOM 615 C4 G 31 67.899 14.148 27.577 1.00 31.74 6

ATOM 616 N3 G 31 67.296 15.240 28.094 1.00 30.74 7

ATOM 617 C2 G 31 67.071 16.162 27.175 1.00 30.16 6

ATOM 618 N2 G 31 66.468 17.308 27.513 1.00 29.35 7

ATOM 619 Nl G 31 67.417 16.029 25.857 1.00 31.02 7

ATOM 620 C6 G 31 68.042 14.917 25.300 1.00 31.80 6

ATOM 621 06 G 31 68.319 14.905 24^".091 1.00 31.33 8

ATOM 622 C5 G 31 68.281 13.912 26.277 1.00 31.62 6

ATOM 623 N7 G 31 68.871 12.659 26.157 1.00 32.46 7

ATOM 624 C8 G 31 68.839 12.169 27.366 1.00 31.84 6

ATOM 625 C2* G 31 66.601 12.721 30.074 1.00 33.72 6

ATOM 626 O2* G 31 66.441 13.149 31.410 1.00 33.01 8

ATOM 627 C3* G 31 66.325 11.238 29.878 1.00 33.91 6

ATOM 628 03* G 31 65.233 10.780 30.644 1.00 32.95 8

ATOM 629 P U 32 63.820 10.534 29.939 1.00 32.38 15

ATOM 630 O1P ϋ 32 64.040 9.814 28.653 1.00 32.21 8

ATOM 631 O2P U 32 62.940 9.945 30.982 1.00 31.54 8

ATOM 632 O5* U 32 63.301 12.004 29.626 1.00 30.50 8

ATOM 633 C5* U 32 62.937 12.854 30.694 1.00 28.91 6

ATOM 634 C4* U 32 62.553 14.210 30.184 1.00 28.55 6

ATOM 635 04* U 32 63.696 14.854 29.566 1.00 28.83 8

ATOM 636 Cl* ϋ 32 63.249 15.696 28.516 1.00 27.84 6

ATOM 637 Ml O 32 63.793 15.177 27.254 1.00 27.80 7

ATOM 638 C6 U 32 64.406 13.946 27.200 1.00 27.24 6

ATOM 639 C2 U 32 63.669 15.961 26.125 1.00 27.22 6

ATOM 640 02 U 32 63.127 17.054 26.139 1.00 26.51 8

ATOM 641 N3 U 32 64.197 15.413 24.980 1.00 27.12 7

ATOM 642 C4 U 32 64.819 14.181 24.857 1.00 27.35 6

ATOM 643 04 U 32 65.226 13.807 23.753 1.00 26.84 8

ATOM 644 C5 U 32 64.908 13.436 26.074 1.00 26.49 6

ATOM 645 C2* U 32 61.723 15.649 28.562 1.00 27.71 6

ATOM 646 02* U 32 61.294 16.603 29.510 1.00 27.67 8

ATOM 647 C3* U 32 61.500 14.247 29.099 1.00 27.67 6

ATOM 648 O3* U 32 60.208 14.100 29.669 1.00 27.90

ATOM 649 P U 33 59.076 13.277 28.879 1.00 27.81 15

ATOM 650 O1P U 33 59.685 12.094 28.221 1.00 27.91 8 ATOM 651 O2P U 33 57.944 13.096 29.813 1.00 28.03

ATOM 652 O5* U 33 58.629 14.269 27.721 1.00 28.58 8

ATOM 653 C5* U 33 58.268 15.616 28.018 1.00 27.70 6

ATOM 654 C4* U 33 58.322 16.457 26.767 1.00 26.40 6

ATOM 655 O4* U 33 59.694 16.557 26.303 1.00 26.12 8

ATOM 656 Cl* ϋ 33 59.711 16.645 24.886 1.00 26.30 6

ATOM 657 Nl U 33 60.462 15.498 24.362 1.00 26.76 7

ATOM 658 C6 U 33 60.747 14.418 25.155 1.00 27.16 6

ATOM 659 C2 U 33 60.869 15.535 23.038 1.00 27.62 6

ATOM 660 02 U 33 60.630 16.470 22.298 1.00 27.74 8

ATOM 661 N3 U 33 61.559 14.429 22.614 1.00 26.57 7

ATOM 662 C4 ϋ 33 61.863 13.314 23.357 1.00 27.16 6

ATOM 663 O4 U 33 62.456 12.382 22.828 1.00 30.16 8

ATOM 664 C5 ϋ 33 61.412 13.353 24.708 1.00 26.74 6

ATOM 665 C2* ϋ 33 58.252 16.651 24.425 1.00 26.57 6

ATOM 666 O2* U 33 57.809 17.990 24.339 1.00 27.24 8

ATOM 667 C3* U 33 57.579 15.899 25.564 1.00 25.87 6

ATOM 668 03* D 33 56.191 16.192 25.643 1.00 24.75 8

ATOM 669 P G 34 55.108 15.058 25.276 1.00 24.87 15

ATOM 670 O1P G 34 55.543 13.761 25.850 1.00 25.44 8

ATOM 671 O2P G 34 53.774 15.598 25.635 1.00 25.24 8

ATOM 672 O5* G 34 55.203 14.927 23.692 1.00 25.20 8

ATOM 673 C5* G 34 55.015 16.059 22.848 1.00 24.49 6

ATOM 674 C4* G 34 55.590 15.786 21.480 1.00 25.05 6

ATOM 675 04* G 34 57.008 15.514 21.613 1.00 25.81 8

ATOM 676 Cl* G 34 57.409 14.594 20.614 1.00 26.56 6

ATOM 677 N9 G 34 58.033 13.450 21.267 1.00 27.57 7

ATOM 678 C4 G 34 59.108 12.734 20.804 1.00 28.05 6

ATOM 679 N3 G 34 59.801 12.988 19.678 1.00 28.52 7

ATOM 680 C2 G 34 60.771 12.111 19.487 1.00 29.31 6

ATOM 681 N2 G 34 61.560 12.216 18.414 1.00 28.25 7

ATOM 682 Nl G 34 61.035 11.065 20.335 1.00 30.18 7

ATOM 683 C6 G 34 60.329 10.783 21.497 1.00 30.18 6

ATOM 684 06 G 34 60.636 9.803 22.181 1.00 33.69 8

ATOM 685 C5 G 34 59.294 11.721 21.718 1.00 29.32 6

ATOM 686 N7 G 34 58.369 11.812 22.748 1.00 29.48 7

ATOM 687 C8 G 34 57.646 12.855 22.442 1.00 28.24 6

ATOM 688 C2* G 34 56.166 14.195 19.808 1.00 25.68 6

ATOM 689 02* G 34 56.133 14.884 18.572 1.00 25.44 8

ATOM 690 C3* G 34 55.036 14.560 20.770 1.00 25.04 6

ATOM 691 03* G 34 53.854 14.902 20.056 1.00 24.34 8

ATOM 692 P A 35 52.455 14.210 20.429 1.00 23.78 15

ATOM 693 O1P A 35 52.211 13.182 19.400 1.00 22.85 8

ATOM 694 O2P A 35 52.458 13.814 21.863 1.00 24.70 8

ATOM 695 O5* A 35 51.395 15.390 20.225 1.00 24.13 8

ATOM 696 C5* A 35 51.047 16.290 21.288 1.00 22.87 6

ATOM 697 C4* A 35 49.541 16.368 21.419 1.00 23.33 6

ATOM 698 04* A 35 48.996 16.784 20.154 1.00 23.27 8

ATOM 699 Cl* A 35 48.353 15.704 19.518 1.00 23.83 6

ATOM 700 N9 A 35 48.906 15.619 18.174 1.00 24.23 7

ATOM 701 C4 A 35 48.466 16.344 17.092 1.00 24.69 6

ATOM 702 N3 A 35 47.426 17.195 17.049 1.00 25.05 7

ATOM 703 C2 A 35 47.322 17.751 15.844 1.00 26.42 6

ATOM 704 Nl A 35 48.084 17.569 14.757 1.00 26.69 7

ATOM 705 C6 A 35 49.122 16.705 14.835 1.00 26.91 6

ATOM 706 Ne A 35 49.889 16.526 13.755 1.00 28.99 7

ATOM 707 C5 A 35 49.334 16.046 16.063 1.00 25.68 6

ATOM 708 N7 A 35 50.281 15.118 16.477 1.00 25.58 7

ATOM 709 C8 A 35 49.974 14.887 17.729 1.00 23.39 6 ATOM 710 C2* A 35 48.495 14.449' 20.381 1.00 23.82 6

ATOM 711 02* A 35 47.232 13.837 20.452 1.00 26.31 8

ATOM 712 C3* A 35 48.913 15.023 21.730 1.00 23.57 6

ATOM 713 O3* A .35 47.847 15.084 22.681 1.00 24.60 8

ATOM 714 P C 36 48.112 15.579 24.194 1, 00 25.10 15

ATOM 715 O1P C 36 47.311 14.685 25.074 1.00 24.49 8

ATOM 716 02P C 36 49.574 15.763 24.435 1.00 25.10

ATOM 717 O5* C. 36 47.410 17.005 24.281 1, 00 24.65

ATOM 718 C5* C 36 47.116 17.594 25.544 1.00 23.55

ATOM 719 C4* C 36 45.777 18.291 25.503 00 22.06 6

ATOM 720 04* C 36 45.811 19.297 24.461 00 22.99 8

ATOM 721 Cl* C 36 44.542 19.391 23.845 00 21.61 6

ATOM 722 Nl C 36 44.700 19.106 22.414 00 20.06 7

ATOM 723 C6 C 36 45.840 18.525 21.933 00 20.54 6

ATOM 724 C2 C 36 43.664 19.441 21.548 00 21.58 6

ATOM 725 O2 C 36 42.645 19.962 22.013 00 22.60 8

ATOM 726 N3 C 36 43.794 19.191 20.225 00 22.70 7

ATOM 727 C4 C 36 44.909 18.627 19.761 00 21.69 6

ATOM 728 N4 C 36 44.992 18.402 18,448 00 20.81 7

ATOM 729 CS C 36 45.987 18.270 20.625 00 21.89 6

ATOM 730 C2* C 36 43.609 18.434 24.588 00 21.81 6

ATOM 731 02* C 36 42.994 19.154 25.628 1.00 22.55

ATOM 732 C3* C 36 44.590 17.414 25.147 1.00 21.83

ATOM 733 03* C 36 44.061 16.838 26.332 .00 21.88

ATOM 734 P G 37 43.714 15.265 26.393 .00 21.25 15

ATOM 735 OlP G 37 43.756 14.713 25.021 .00 23.41 8

ATOM 736 02P G 37 44.559 14.656 27.444 .00 21.80 8

ATOM 737 O5* G 37 42.208 15.253 26.913 .00 20.45 8

ATOM 738 C5* G 37 41.125 14.909 26.053 .00 20.73 6

ATOM 739 C4* G 37 40_*294 16.132 25.721 .00 21.21 6

ATOM 740 04* G 37 41.085 17.053 24.918 .00 21.90 8

ATOM 741 Cl* G 37 40.286 17.602 23.883 1.00 21.31 6

ATOM 742 N9 G 37 40.810 17.132 22.604 .00 20.47 7

ATOM 743 C4 G 37 40.303 17.385 21.351 .00 19.83 6

ATOM 744 N3 G 37 39.201 18.106 21.071 .00 20.77 7

ATOM 745 C2 G 37 38.980 18.183 19.762 .00 20.27 6

ATOM 746 N2 G 37 37.922 18.857 19.300 .00 18.69 7

ATOM 747 Nl G 37 39.111 17.601 18.814 .00 19.81 7

ATOM 748 C6 G 37 40.911 16.846 19.083 .00 21.56 6

ATOM 749 O6 G 37 41.555 16.349 18.154 .00 22.24 8

ATOM 750 C5 G 37 41.161 16.756 20.475 .00 21.20 6

ATOM 751 N7 G 37 42.180 16.111 21.160 .00 22.60 7

ATOM 752 C8 G 37 41.929 16.357 22.417 .00 21.75 6

ATOM 753 C2* G 37 38.851 17.176 24.166 .00 21.58 6

ATOM 754 O2* G 37 38.282 18.124 25.036 .00 22.94 8

ATOM 755 C3* G 37 39.068 15.846 24.868 .00 21.23 6

ATOM 756 03* G 37 37.968 15.544 25.711 .00 22.05 8

ATOM 757 P A 38 36.973 14.344 25.334 .00 22.19 15

ATOM 758 O1P A 38 37.779 13.225 24.788 .00 24.79 8

ATOM 759 O2P A 38 36.102 • 14.118 26.509 .00 22.10 8

ATOM 760 O5* A 38 36.070 14.930 24.163 .00 21.85 8

ATOM 761 C5* A 38 35.005 15.817 24.464 .00 21.16 6

ATOM 762 C4* A 38 34.428 16.383 23.202 .00 21.79 6

ATOM 763 04* A 38 35.483 17.027 22.440 .00 22.65 8

ATOM 764 Cl* A 38 35.268 16.815 21.053 .00 21.70 6

ATOM 765 N9 A 38 36.371 16.005' 20.547 .00 22.45 7

ATOM 766 C4 A 38 36.660 15.778 19.225 .00 22.73 6^'

ATOM 767 N3 A 38 35.976 16.220 18.155 .00 24.63 7

ATOM 768 C2 A 38 36.564 15.822 17.025 1.00 24.19 6 ATOM 769 Nl A 38 37.672 15.091 16.861 1.00 23.31 7

ATOM 770 C6 A 38 38.332 14.663 17.958 1.00 21.88 6

ATOM 111 N6 A 38 39.432 13.936 17.790 1.00 23,54 7

ATOM 772 C5 A 38 37.811 15.014 19.217 1.00 21.45 6

ATOM 773 N7 A 38 38.230 14.746 20.512 1.00 21.45 7

ATOM 774 C8 A 38 37.340 15.345 21.263 1.00 20.60 6

ATOM 775 C2* A 38 33.918 16.122 20.919 1.00 21.70 6

ATOM 776 O2* A 38 32.926 17.121 20.609 1.00 21.72 8

ATOM 777 C3* A 38 33.855 15.365 22.240 1.00 22.16 6

ATOM 778 O3* A 38 32.527 15.068 22.613 1.00 23.66 8

ATOM 779 P G 39 31.923 13.627 22.285 1.00 25,55 15

ATOM 780 OlP G 39 32.778 12.648 23.007 1.00 25.55 8

ATOM 781 O2P G 39 30.462 13.656 22.540 1.00 24.87 8

ATOM 782 O5* G 39 32.144 13.481 20.711 1.00 26.16 8

ATOM 783 C5* G 39 31.313 14.185 19.783 1.00 25.95 6

ATOM 784 C4* G 39 31.676 13.813 18.362 1.00 26.78 6

ATOM 785 04* G 39 33.036 14.226 18.067 1.00 27.91 8

ATOM 786 Cl* G 39 33.663 13.268 17.229 1.00 27.11 6

ATOM 787 N9 G 39 34.807 12.723 17.952 1.00 25.^'72 7

ATOM 788 CA G 39 35.972 12.215 17.419 1.00 25.33 6

ATOM 789 N3 G 39 36.263 12.096 16.107 1.00 26.63 7

ATOM 790 C2 G 39 37.478 11.592 15.915 1.00 26.53 6

ATOM 792 N2 G 39 37.942 11.403 14.662 1.00 26.21 7

ATOM 792 Nl G 39 38.328 11.235 16.929 1.00 24.60 7

ATOM 793 C6 G 39 38.046 11.345 18.283 1.00 24.25 6

ATOM 794 O6 G 39 38.889 10.992 19.119 1.00 22.47 8

ATOM 795 CS G 39 36.753 11.883 18.503 1.00 24.02 6

ATOM 796 N7 G 39 36-091 12.158 19.687 1.00 25.42 7

ATOM 797 C8 G 39 34.942 12.647 19:312 1.00 25.69 6

ATOM 798 C2* G 39 32.594 12.242 16.851 1.00 27.69 6

ATOM 799 O2* G 39 31.963 12.677 15.664 1.00 29.88 8

ATOM 800 C3* G 39 31.653 12.329 18.044 1.00 26.95 6

ATOM 801 03* G 39 30.332 11.940 17.690 1.00 26.46 8

ATOM 802 P G 40 29.825 10.451 18.017 1.00 27.09 15

ATOM 803 O1P G 40 30.501 9.952 19.249 1.00 25.29 8

ATOM 804 02P G 40 28.337 10.456 17.950 1.00 26.19 8

ATOM 805 05* G 40 30.396 9.598 16.804 1.00 24.81 8

ATOM 806 C5* G 40 29.945 9.827 15.484 1.00 23.21 6

ATOM 807 C4* G 40 30.849 9.121 14.515. 1.00 22.97 6

ATOM 808 04* G 40 32.185 9.653 14.673 1.00 22.69 8

ATOM 809 Cl* G 40 33.136 8.633 14.424 1.00 21.53 6

ATOM 810 N9 G 40 34.044 8.551 15.565 1.00 19.10 7

ATOM 811 CA G 40 35.403 8.360 15.512 1.00 18.53 6

ATOM 812 N3 G 40 36.143 8.225 • 14.388 1.00 19.92 7

ATOM 813 C2 G 40 37.433 8.050 14.660 1.00 18.93 6

ATOM 814 N2 G 40 38.314 7.890 13.656 1.00 18.49 7

ATOM 815 Nl G 40 37.949 8.015 15.934 1.00 17.55 7

ATOM 816 C6 G 40 37.205 8.150 17.103 1.00 16.31 6

ATOM 817 06 G 40 37.768 8.095 18.194 1.00 15.85 8

ATOM ^■ 818 C5 G 40 35.824 8.338 16.827 1.00 16.80 6

ATOM 819 N7 G 40 34.753 8.517 17.688 1.00 15.74 7

ATOM 820 CB G 40 33.720 8.642 16.897 1.00 18.81 6

ATOM 821 C2* G 40 32.361 7.344 14.129 1.00 22.48 6

ATOM 822 02* G 40 32.247 7.165 12.733 1.00 23.04 8

ATOM 823 C3* G 40 31.012 7.633 14.766 1.00 22.71 6

ATOM 824 03* G 40 29.995 6.907 14.092 1.00 24.10 8

ATOM 825 P G 41 29.453 5.525 14.710 1.00 25.86 15

ATOM 826 O1P G Al 29.330 5.747 16.177 1.00 26.35 8

ATOM 827 O2P G 41 28.260 5.089 13.933 1.00 25.03 8 ATOM 828 05* G 41 30.639 4.475 14.470 1.00 25.78 8

ATOM 829 C5* G 41 31.163 4.228 13.163 1.00 25.06 6

ATOM 830 C4* G 41 31.620 2.788 13.034 1.00 25.35 6

ATOM 831 04* G 41 32.680 2.519 13.983 1.00 26.10 8

ATOM 832 Cl* G 41 32.226 1.599 14.949 1.00 25.45 6

ATOM 833 N9 G 41 32.863 1.851 16.232 1.00 25.06 7

ATOM 834 C4 G 41 34.185 1.615 16.504 1.00 23.54 6

ATOM 835 N3 G 41 35.092 1.144 15.628 1.00 22.44 7

ATOM 836 C2 G 41 36.283 1.015 16.174 1.00 24.37 6

ATOM 837 N2 G 41 37.310 0.563 15.432 1.00 23.80 7

ATOM 838 Nl G ^' 41 36.560 1.320 17.484 1.00 25.39 7

ATOM 839 .C6 G 41 35.639 1.807 18.403 1.00 25.35 6

ATOM 840 06 G 41 35.996 2.055 19.563 1.00 28.01 8

ATOM 841 C5 G 41 34.355 1.953 17.823 1.00 24.68 6

ATOM , 842 N7 G 41 33.160 2.398 18.374 1.00 26.13 7

ATOM 843 C8 G 41 32.303 2.325 17.391 1.00 25.51 6

ATOM 844 C2* G 41 30.717 1.414 14.832 1.00 25.25 6

ATOM 845 02* G 41 30.449 0.050 15.076 1.00 25.48 8

ATOM 846 C3* G 41 30.494 1.810 13.373 1.00 25.34 6

ATOM 847 O3* G 41 30.526 0.681 12.500 1.00 26.35 8

ATOM 848 P C 42 29.421 0.490 11.368 1.00 28.12 15

ATOM 849 O1P C 42 28.206 1.236 11.783 1.00 29.68 8

ATOM 850 02P C 42 30.055 0.780 10.052 1.00 27.07 8

ATOM 851 O5* C 42 29.100 -1.065 11.431 1.00 27.64 8

ATOM 852 C5* C 42 28.525 -1.645 12.594 1.00 27.08 6

ATOM 853 C4* C 42 28.005 -3.030 12.278 1.00 25.83 6

ATOM 854 O4* C 42 26.901 -2.927 11.341 1.00 25.12 8

ATOM 855 Cl* C 42 26.999 -3.952 10.375 1.00 23.84 6

ATOM 856 Nl C 42 27.293 -3.311 9.083 1.00 23.46 7

ATOM 857 C6 C 42 27.489 -1.962 9.009 1.00 21.65 6

ATOM 858 C2 C 42 27.376 -4.100 7.933 1.00 24.12 6

ATOM 859 O2 C 42 27.183 -5.330 8.028 1.00 24.89 8

ATOM 860 N3 C 42 27.665 -3.507 6.748 1.00 21.64 7

ATOM 861 C4 C 42 27.862 -2.188 6.692 1.00 20.37 6

ATOM 862 N4 C 42 28.150 -1.644 5.508 1.00 19.19 7

ATOM 863 C5 C 42 27.773 -1.366 7.847 1.00 20-29 6

ATOM 864 C2* C 42 28.088 -4.909 10.861 1.00 24.29 6

ATOM 865 O2* C 42 27.516 -5.853 11.736 1.00 23.81 8

ATOM 866 C3* C 42 29.004 -3.960 11.611 1.00 24.95 6

ATOM 867 O3* C 42 29.757 -4.647 12.604 1.00 26.27 8

ATOM 868 P A 43 31.339 -4.864 12.405 1.00 27.26 15

ATOM 869 O1P A 43 31.942 -3.593 11.921 1.00 26.91 8

ATOM 870 O2P A 43 31.862 -5.497 13.642 1.00 26.70 8

ATOM 871 O5* A 43 31.413 -5.952 11.249 1.00 28.13 8

ATOM 872 C5* A 43 30.912 -7.258 11.481 1.00 29.68 6

ATOM 873 C4* A 43 30.997 -8.078 10.228 1.00 30.74 6

ATOM 874 04* A 43 30.084 -7.552 9.236 1.00 31.00 8

ATOM 875 Cl* A 43 30.611 -7.789 7.941 1.00 31.13 6

ATOM 876 N9 A 43 30.743 -6.504 7.266 1.00 29.01 7

ATOM 877 C4 A 43 30.855 -6.309 5.915 1.00 28.33 6

ATOM 878 N3 A 43 30.870 -7.251 4.950 1.00 28.31 7

ATOM 879 C2 A 43 30.980 -6.690 3.753 1.00 25.72 6

ATOM 880 Nl A 43 31.067 -5.394 3.433 1.00 27.99 7

ATOM 881 C6 A 43 31.050 -4.474 4.429 1.00 27.25 6

ATOM 882 N6 A 43 31.133 -3.176 4.113 1.00 24.67 7

ATOM 883 C5 A 43 30.943 -4.943 5.743 1.00 27.40 6

ATOM 884 N7 A 43 30.897 -4.291 6.966 1.00 27.90 7

ATOM 885 C8 A 43 30.778 -5.260 7.833 1.00 28.20 6

ATOM 886 C2* A 43 31.961 -8.484 8.122 1.00 32.21 6 ATOM 887 02* A 43 31-788 -9.883 8.018 1.00 33.16 8

ATOM 888 C3* A 43 32.334 -8.032 9.526 1.00 32.12 6

ATOM 889 03* A 43 33.253 -8.907 10.140 1.00 34.14 8

ATOM 890 P G 44 34.823 -8.628 9.990 1.00 36.93 15

ATOM 891 O1P G 44 35.074 -7.184 10.262 1.00 35.44 8

ATOM 892 02P G 44 35.514 -9.665 10.807 1.00 37.31 8

ATOM 893 05* G 44 35.113 -8.933 8.453 1.00 36.52 8

ATOM 894 C5* G 44 35.192 -10.278 7.998 1.00 36.62 6

ATOM 895 C4* G 44 35.505 -10.318 6.527 1.00 37.62 6

ATOM 896 O4* G 44 34.408 -9.705 5.803 1.00 38.20 8

ATOM 897 Cl* G 44 34.906 -9.076 4.632 1.00 38.18 6

ATOM 898 N9 G 44 34.628 -7.643 4.711 1.00 38.44 7

ATOM 899 C4 G 44 34.533 -6.781 3.644 1.00 37.70 6

ATOM 900 N3 G 44 34.629 -7.122 2.341 1.00 39.35 7

ATOM 901 C2 G 44 34.535 -6.068 1.543 1.00 40.98 6

ATOM 902 N2 G 44 34.611 -6.230 0.207 1.00 41.89 7

ATOM 903 Nl G 44 34.359 -4.779 1.991 1.00 38.33 7

ATOM 904 C6 G 44 34.253 -4.405 3.325 1.00 36.55 6

ATOM 905 O6 G 44 34.097 -3.217 3.613 1.00 35.29 8

ATOM 906 C5 G 44 34.352 -5.531 4.196 1.00 36.61 6

ATOM 907 N7 G 44 34.299 -5.608 5.583 1.00 37.00 7

ATOM 908 C8 G 44 34.457 -6.880 5.844 1.00 37.38 6

ATOM 909 C2* G 44 36.410 -9.358 4.588 1.00 37.80 6

ATOM 910 O2* G 44 36.653 -10.553 3.876 1.00 38.05 8

ATOM 911 C3* G 44 36.719 -9.526 6.064 1.00 37.78 6

ATOM 912 03* G 44 37.935 -10.242 6.251 1.00 37.73 8

ATOM 913 P G 45 39.326 -9.436 6.375 1.00 38.03 15

ATOM 914 O1P G 45 39.134 -8.344 7.363 1.00 38.62 8

ATOM 915 O2P G 45 40.391 -10.435 6.597 1.00 38.23 8

ATOM 916 O5* G 45 39.556 -8.805 4.929 1.00 36.15 8

ATOM 917 C5* G 45 39.854 -9.650 3.830 1.00 34.74 6

ATOM 918 C4* G 45 39.778 -8.890 2.528 1.00 34.72 6

ATOM 919 04* G 45 38.453 -8.314 2.370 1.00 34.19 8

ATOM 920 Cl* G 45 38.540 -7.137 1.574 1.00 33.77 6

ATOM 921 N9 G 45 38.095 -6.000 2.372 1.00 31.44 7

ATOM 922 C4 G 45 37.821 -4.739 1.909 1.00 29.47 6

ATOM 923 N3 G 45 37.879 -4.336 0.626 1.00 28.51 7

ATOM 924 C2 G 45 37.578 -3.051 0.495 1.00 28.70 6

ATOM 925 N2 G 45 37.590 -2.477 -0.713 1.00 27.30 7

ATOM 926 Nl G 45 37.246 -2.232 1.539 1.00 28.88 7

ATOM 927 C6 G 45 37.184 -2.627 2.871 1.00 30.87 6

ATOM 928 06 G 45 36.881 -1.806 3.741 1.00 31.67 8

ATOM 929 C5 G 45 37.504 -4.002 3.025 1.00 30.43 6

ATOM 930 N7 G 45 37.558 -4.789 4.167 1.00 31.08 7

ATOM 931 C8 G 45 37.905 -5.966 3.730 1.00 31.86 6

ATOM 932 C2* G 45 40.014 -6.972 1.207 1.00 34.62 6

ATOM 933 02* G 45 40.255 -7.596 -0.033 1.00 33.29 8

ATOM 934 C3* G 45 40.678 -7.682 2.379 1.00 35.56 6

ATOM 935 03* G 45 42.031 -8.026 2.113 1.00 37.57 8

ATOM 936 P G 46 43.202 -7.070 2.652 1.00 38.34 15

ATOM 937 O1P G 46 42.819 -6.623 4.020 1.00 39.18 8

ATOM 938 O2P G 46 44.511 -7.727 2.444 1.00 39.81 8

ATOM 939 05* G 46 43.123 -5.819 1.677 1.00 38.06 8

ATOM 940 C5* G 46 43.168 -5.996 0.270 1.00 37.70 6

ATOM 941 C4* G 46 42.899 -4.684 -0.425 1.00 38.21 6

ATOM 942 O4* G 46 41.524 -4.283 -0.184 1.00 38.45 8

ATOM 943 Cl* G 46 41.445 -2.865 -0.119 1.00 38.01 6

ATOM 944 N9 G 46 40.975 -2.480 1.211 1.00 36.79 7

ATOM 945 C4 G 46 40.445 -1.259 1.558 1.00 34.38 6 ATOM 946 N3 G 46 40.259 -0.213 0.728 00 33.09 7

ATOM 947 C2 G 46 39.731 0.827 1.352 00 32.57 6

ATOM 948 N2 G 46 39.476 1.956 0.676 00 30.74 7

ATOM 949 Nl G 46 39.415 0.837 2.684 00 33.72 7

ATOM 950 C6 G 46 39.603 -0.224 3.560 00 34.02 6

ATOM 951 06 . G 46 39.296 -0.096 4.748 00 36.92 8

ATOM 952 C5 G 46 40.163 -1.351 2.903 00 34.17 6

ATOM 953 N7 ^■ G 46 ^"40.504 -2.605 3.396 ,00 34.79 7

ATOM 954 C8 G 46 40.980 -3.241 2.358 ,00 35.71 6

ATOM 955 C2* G 46 42.849 -2.334 -0.400 .00 38.88 6

ATOM 956 02* G 46 42.995 -2.090 -1.785 .00 39.29 8

ATOM 957 C3* G 46 43.697 -3.499 0.083 ,00 38.75 6

ATOM 958 03* G 46 45.001 -3.464 -0.467 .00 40.43 8

ATOM 959 P υ 47 46.213 -2.875 0.407 ,00 41.74 15

ATOM 960 O1P U 47 46.121 -3.481 1.-764 .00 41.81 8

ATOM 961 O2P U 47 47.451 -3.050 -0.386 .00 42.85 8

ATOM 962 O5* U 47 45.917 -1.316 0.478 .00 39.72 8

ATOM 963 C5* U 47 45.840 -0.562 -0.714 .00 41.47 6

ATOM 964 C4* U 47 45.309 0.814 -0.429 .00 43.60 6

ATOM 965 04* U 47 43.951 0.724 0.076 .00 42.92 8

ATOM 966 Cl* , U 47 43.720 1.781 0.994 .00 41.99 6

ATOM ^' 967 Nl U 47 43.349 1.195 2.291 .00 39.54 7

ATOM 968 C6 U 47 43.722 -0.086 2.630 ,00 37.16 6

ATOM 969 C2 D 47 42.604 1.972 3.163 .00 36.82 6

ATOM 970 02 U 47 42.262 3.111 2.905 .00 36.36 8

ATOM 971 N3 U 47 42.277 1..363 4.348 .00 33.96 7

ATOM 972 C4 U 47 42.614 0..090 4.745 .00 34.25 6

ATOM 973 O4 O 47 42.230 -0.322 5.839 .00 35.09 8

ATOM 974 C5 U 47 43.389 -0.648 3..794 .00 34.84 6

ATOM 975 C2* U 47 45.001 2.618 1.046 .00 43.40 6

ATOM 976 02* U 47 44.911 3.656 0.095 .00 42.49 8

ATOM 977 C3* U 47 46.047 1.589 0.644 .00 45.13 6

ATOM 978 O3* U 47 47.209 2.203 0.096 .00 50.37 8

ATOM 979 P U 48 48.464 2.535 1.048 .00 54.27 15

ATOM 980 O1P U 48 48.391 1.614^' 2.213 .00 53.66 8

ATOM 981 O2P U 48 49.680 2.547 0.199 .00 54.07 8

ATOM 982 O5* U 48 48.177 4.026 1.536 .00 56.97 8

ATOM 983 C5* O 48 47.665 4.985 0.612 .00 62.34 6

ATOM 984 C4* U 48 47.140 6.216 1.324 .00 65.69 6

ATOM 985 04* U 48 46.029 5.861 2.196 .00 66.91 8

ATOM 986 Cl* U 48 46.391 6.067 3.545 .00 66.44 6

ATOM 987 Nl U 48 45.723 5.102 4.434 .00 64.78 7

ATOM 988 C6 D 48 46.077 3.778 4.511 .00 63.32 6

ATOM 989 C2 U 48 44.706 5.615 5.225 .00 63.29 6

ATOM 990 02 U 48 44.352 6.779 5.164 .00 61.35 8

ATOM 991 N3 U 48 44.117 4.719 6.079 .00 62.22 7

ATOM 992 C4 U 48 44.427 3.389 6.221 .00 62.27 6

ATOM 993 04 U 48 43.811 2.716 7.047 .00 61.69 8

ATOM 994 C5 U 48 45.480 2.923 5.359 .00 63.04 6

ATOM 995 C2* O 48 47.893 6.320 3.649 .00 66.66 6

ATOM 996 O2* U 48 48.082 7.279 4.666 .00 66.40 8

ATOM 997 C3* U 48 48.205 6.822 2.234 1.00 67.13 6

ATOM 998 03* U 48 48.350 8.225 1.999 00 69.93 8

ATOM 999 ^' P α 49 49.586 9.028 2.626 00 71.15 15

ATOM 1000 O1P 0 49 50.274 8.110 3.564 00 71.08 8

ATOM 1001 O2P O 49 50.338 9.614 1.488 00 72.40 8

ATOM 1002 05* U 49 48.910 10.216 3.455 00 72.04 8

ATOM 1003 C5* U 49 48.606 10.058 4.849 00 73.36 6

ATOM 1004 C4* U 49 47.954 11.312 5-423 1.00 73.61 6 ATOM 1005 04* U 49 48.957 12.342 5.637 1.00 75.59 . 8

ATOM 1006 Cl* U 49 48.797 13.394 4.696 1.00 77.03 6

ATOM 1007 Nl ϋ 49 50.080 13.575 3.993 1.00. 80.59 7

ATOM .1008 C6 U 49 51.083 12.627 4.098 1.00 82.31 6

ATOM 1009 C2 U 49 50.264 14.729 3.238 1.00 82.02 6

ATOM 1010 O2 U 49 49.400 15.587 3.107 1.00 81.85 8

ATOM 1011 N3 u ^• 49 51.502 14.837 2.645 1.00 83.60 7

ATOM 1012 C4 U 49 52.550 13.928 2.721 ■ 1.00 84.46 6

ATOM 1013 O4 U 49 53.609 14.170 2.135 1.00 85.83 8

ATOM 1014 C5 U 49 52.276 12.762 3.507 1.00 83.70 6

ATOM 1015 C2* U 49 Al .512 13.121 3.808 1.00 74.55 6

ATOM 1016 02* U 49 46.784 14.299 3.814 1.00 75-19 8

ATOM 1017 C3* U 49 46.893 11.948 4.531 1.00 72.07 6

ATOM 1018 03* U 49 45.559 12.010 5.050 1.00 64.13 8

ATOM 1019 P A 50 44.749 10.644 5.282 1.00 58.23 15

ATOM 1020 O1P A 50 44.472 10.065 3.940 1.00 59.00 8

ATOM 1021 O2P A 50 45.515 9.854 6.278 1.00 59.77 8

ATOM 1022 05* ^• A 50 43.383 11.066 5.983 1.00 53.88 8

ATOM 1023 C5* A 50 42.219 11.331 5.217 1.00 46.20 6

ATOM 1024 C4* A 50 40.985 11.342 6.098 1.00 41.60 6

ATOM 1025 04* A 50 40.562 9.981 6.380 1.00 40.06 8

ATOM 1026 Cl* A 50 40.720 9.705 7.752 1.00 38.47 6

ATOM 1027 N9 A 50 41.116 8.312 7.951 1.00 39.11 7

ATOM 1028 C4 A 50 40.537 7.478 8.877 1.00 38.36 6

ATOM 1029 N3 A 50 39.581 7.795 9.765 1.00 38.07 7

ATOM 1030 C2 A 50 39.243 6.731 10.485 1.00 39.93 6

ATOM 1031 Nl A 50 39.717 5.477 10.425 1.00 40.12 7

ATOM. 1032 C6 A ^• 50 40.682 5.193 9.524 1.00 39.77 6

ATOM 1033 Nβ A 50 41.159 3.943 9.469 1.00 39.45 7

ATOM 1034 C5 A 50 41.127 6.241 8.694 1.00 38-86 6

ATOM 1035 N7 A 50 42.082 6.298 7.688 1.00 38.69 7

ATOM 1036 C8 A 50 42.043 7.548 7.287 1.00 39.09 6

ATOM 1037 C2* A 50 41.475 10.836 8.439 1.00 37.37 6

ATOM 1038 02* A 50 40.776 11.052 9.641 1.00 36.45 8

ATOM 1039 C3* A 50 41.260 11.986 7.457 1.00 37.91 6

ATOM 1040 03* A 50 40.280 12.941 7.839 1.00 34.38 8

ATOM 1041 P U 51 40.615 14.509 7.829 1.00 32.28 15

ATOM 1042 O1P U 51 41.786 14.770 8.709 1.00 30.53 8

ATOM 1043 O2P U 51 40.650 14.950 6.412 1.00 32.58 8

ATOM 1044 05* U 51 39.316 15.136 8.499 1.00 30.30 8

ATOM 1045 C5* ϋ 51 38.051 15.014 7.866 1.00 27.94 6

ATOM 1046 C4* ϋ 51 36.950 15.379 8.827 1.00 27.23 6

ATOM 1047 O4* U 51 36.789 14.332 9.815 1.00 26.74 8

ATOM 1048 Cl* U 51 36.402 14.902 11.058 1.00 25.01 6

ATOM 1049 Nl U 51 37.439 14.602 12.054 1.00 24.15 7

ATOM 1050 C6 U 51 38.659 14.075 11.688 1.00 23.66 6

ATOM 1051 C2 U 51 37.154 14.891 13.377 1.00 23.84 6

ATOM 1052 02. U 51 36.079 15.336 13.736 1.00 23.86 8

ATOM 1053 N3 U 51 38.175 14.642 14.262 1.00 23.70 7

ATOM 1054 C4 U 51 39.427 14.132 13.964 1.00 24.90 6

ATOM 1055 O4 U 51 40.247 13.972 14.869 1.00 24.04 8

ATOM 1056 C5 U 51 39.638 13.838 12.571 1.00 24.29 6

ATOM 1057 C2* U 51 36.255 16.404 10.834 1.00 25.42 6

ATOM 1058 02* U 51 34.912 16.696 10.530 1.00 25.07 8

ATOM 1059 C3* U 51 37.196 16.624 9.658 1.00 26.50 6

ATOM 1060 03* U 51 36.878 17.801 8.930 1.00 26.24 8

ATOM 1061 P C 52 37.654 19.165 9.259 1.00 26,68 15

ATOM 1062 O1P C 52 39.083 18.813 9.393 1.00 25.88 8

ATOM 1063 02P C 52 37.234 20.190 8.264 1.00 26,71 8 ATOM 1064 05* C. 52 37.086 19.594 10-682 1.00 24.75 8

ATOM 1065 C5* C 52 35.713 19.916 10.822 1.00 26.10 6

ATOM 1066 C4* C 52 35.386 20.216 12^'.258 1.00 27.49 6

ATOM 1067 O4* C 52 35.557 19.013 13.046 1.00 28.29 8

ATOM 1068 Cl* C 52 35.992 19.363 14.350 1.00 27.73 6

ATOM 1069 Nl C 52 37.313 18.770 14.569 1.00 25.71 7

ATOM 1070 C6 C 52 38.042 18.271 13.527 1.00 24.09 6

ATOM 1071 C2 C 52 37.811 18.718 15.873 1.00 24.49 6

ATOM 1072 O2 C 52 37.127 19.198 16.791 1.00 21.00 8

ATOM 1073 N3 C 52 39.023 18.150 16.096 1.00 23.67 7

ATOM 1074 C4 C 52 39.721 17.652 15.070 1.00 23.58 6

ATOM 1075 N4 C 52 40.900 17.088 15.328 1.00 24.50 7

ATOM 1076 C5 C 52 39.238 17.708 13.731 1.00 23.2.9 6

ATOM 1077 C2* C 52 36.030 20.888 14.414 1.00 28.50 - 6

ATOM 1078 O2* C 52 34.774 21.351. 14.873 1.00 30.49 8

ATOM 1079 C3* C 52 36.279 21.229 12.954 1.00 27.89 6

ATOM 1080 03* C 52 35.887 22.559 12.660 1.00 27.51 8

ATOM 1081 P G 53 36.950 23.570 12.008 1.00 29.76 15

ATOM 1082 O1P G 53 38.031 22.778 11.380 1.00 29.90 8

ATOM 1083 O2P G 53 36.169 24.548 11.194 1.00 30.68 8

ATOM 1084 O5* G 53 37.628 24.317 13.240 1.00 28.12 8

ATOM 1085 C5* G 53 36.881 25.222 14.026 1.00 25.41 6

ATOM 1086 C4* G 53 36.975 24.851 15.486 1.00 24.03 6

ATOM 1087 04* G 53 37.120 23.412 15.629 1.00 24.09 8

ATOM 1088 Cl* G 53 37.778 23.127 16.855 1.00 22.92 6

ATOM 1089 N9 G 53 38.942 22.293 16.574 1.00 22.33 7

ATOM 1090 C4 G 53 39.806 21.762 17.504 1.00 21.81 6

ATOM 1091 N3 G 53 39.729 21.924 18.842 1.00 20.10 7

ATOM 1092 C2 G 53 40.694 21.282 19.475 1.00 19.90 6

ATOM 1093 N2 G 53 40.761 21.331 20.810 1.00 19.37 7

ATOM 1094 Nl G 53 41.661 20.541 18.846 1.00 21.22 7

ATOM 1095 C6 G 53 41.757 20.348 17.469 1.00 21.98 6

ATOM 1096 06 G 53 42.662 19.640 17.006 1.00 21.96 8

ATOM 1097 C5 G 53 40.727 21.037 16.776 1.00 21.14 6

ATOM^' 1098 N7 G 53 40.453 21.116 15.417 1.00 20.54 7

ATOM 1099 C8 G 53 39.389 21.873 15.344 1.00 21.13 6

ATOM 1100 C2* G 53 38.141 24.475 17.483 1.00 22.88 6

ATOM 1101 02* G 53 37.120 24.869 18.384 1.00 22.15 8

ATOM 1102 C3* G 53 38.168 25.372 16.256 1.00 21.73 6

ATOM 1103 O3* G ^• 53 37.926 26.704 16.640 1.00 19.58 8

ATOM 1104 P A 54 39.160 27.666 16.946 1.00 20.54 15

ATOM 1105 O1P A 54 40.178 27.470 15.886 1.00 20.35 8

ATOM 1106 O2P A 54 38.623 29.021 17.218 1.00 19.73 8

ATOM 1107 O5* A 54 39.764 27.063 18.286 1.00 20.97 8

ATOM 1108 C5* A 54 39.056 27.178 19.509 1.00 19.33 6

ATOM 1109 C4* A 54 39.965 26.859 20.661 1.00 17.49 6

ATOM 1110 04* A 54 40.183 25.431 20.755 1.00 16.82 8

ATOM 1111 Cl* A 54 41.489 25.192 21.239 1.00 17.24 6

ATOM 1112 N9 A 54 42.220 24.451 20.215 1.00 17.40 7

ATOM 1113 C4 A 54 43.374 23.735 20.403 1.00 16.31 6

ATOM 1114 N3 A 54 44.055 23.581 21.548 1.00 15.77 7

ATOM 1115 C2 A 54 45.128 22.821 21.353 1.00 16.73 6

ATOM 1116 Nl A 54 45.565 22.243 20.229 1.00 16.83 7

ATOM 1117 C6 A 54 44.854 22.419. 19.098 1.00 16.00 6

ATOM 1118 N6 A 54 45.294 21.849 17.980 1.00 14.83 7

ATOM 1119 C5 A 54 43.692 23.202 19.172 1.00 15.84 6

ATOM 1120 N7 A 54 42.756 23.576 18.222 1.00 17.92 7

ATOM 1121 C8 A 54 41.907 24.316 18.888 1.00 17.30 6

ATOM 1122 C2* A 54 42.106 26.557 21.550 1.00 17.11 6 ATOM 1123 O2* A 54 41.783 26.885 22.882 1.00 16.88 8

ATOM 1124 C3* A 54 41.356 27.449 20.575 1.00 16.70 6

ATOM 1125 O3* A 54 41.317 28.806 21.001 1.00 17.79 8

ATOM 1126 P G 55 42.556 29.787 20.696 1.00 19.61 15

ATOM 1127 O1P G 55 43.493 29.111 19.744 1.00 19.69 8

ATOM 1128 O2P G 55 41.988 31.103 20.340 1.00 17.18 8

ATOM 1129 05* G 55 43.300 29.898 22.113 1.00 20.74 8

ATOM 1130 C5* G 55 44.703 30.196 22.187 1.00 22.47 6

ATOM 1131 C4* G 55 45.138 30.407 23.628 1.00 22.82 6

ATOM 1132 O4* G 55 44.245 31.340 24.253 1.00 23.21 8

ATOM 1133 Cl* G 55 44.173 31.064 25.620 1.00 21.44 6

ATOM 1134 N9 'G 55 42.871 31.506 26.109 1.00 20.32 7

ATOM 1135 C4 G 55 41.624 30.990 25.835 1.00 19.31 6

ATOM 1136 N3 G 55 41.348 29.936 25.036 1.00 20.78 7

ATOM 1137 C2 G 55 40.036 29.710 24.957 1.00 21.97 6

ATOM 1138 N2 G 55 39.558 28.713 24.179 1.00 21.76 7

ATOM 1139 Nl G 55 39.092 30.449 25.625 1.00 20.36 7

ATOM 1140 C6 G 55 39.364 31.538 26.444 1.00 19.36 6

ATOM 1141 O6 G 55 38.442 32.147 26.990 1.00 22.90 8

ATOM 1142 C5 G 55 40.741 31.796 26.526 1.00 19.03 6

ATOM 1143 N7 G 55 41.413 32.790 27.214 1.00 19.07 7

ATOM 1144 C8 G 55 42.668 32.578 26.943 1.00 20.00 6

ATOM 1145 C2* G 55 44.694 29.649 25.892 1.00 22.30 6

ATOM 1146 02* G 55 45.750 29.700 26.818 1.00 21.60 8

ATOM 1147 C3* G 55 45.127 29.161 24.496 1.00 23.64 6

ATOM 1148 O3* G 55 46.462 28.617 24.572 1.00 26.08 8

ATOM 1149 P A 56 47.710 29.383 23.866 1.00 24.48 15

ATOM 1150 O1P A 56 47.445 29.647 22.432 1.00 25.95 8

ATOM 1151 02P A 56 48.114 30.492 24.749 1.00 23.83 8

ATOM 1152 05* A 56 48.874 28.308 23.855 1.00 23.70 8

ATOM 1153 C5* A 56 48.860 27.189 24.731 1.00 23.34 6

ATOM 1154 C4* A 56 49.320 25.971 23.981 1.00 22.78 6

ATOM 1155 04* A 56 48.177 25.225 23.509 1.00 22.91 8

ATOM 1156 Cl* A 56 48.401 24.803 22.179 1.00 22.96 6

ATOM 1157 N9 A 56 47.361 25.411 21.356 1.00 22.39 7

ATOM 1158 C4 A 56 47.125 25.218 20.017 1.00 22.39 6

ATOM 1159 N3 A 56 47.825 24.451 19.164 1.00 23.22 7

ATOM 1160 C2 A 56 47.285 24.490 17.954 1.00 21.61 6

ATOM 1161 Nl A 56 46.206 25.157 17.530 1.00 22.28 7

ATOM 1162 C6 A 56 45.525 25.917 18.414 1.00 21.08 6

ATOM 1163 N6 A 56 44.446 26.579 17.999 1.00 20.01 7

ATOM 1164 C5 A 56 45.995 25.962 19.726 1.00 22.61 6

ATOM 1165 N7 A 56 45.537 26.628 20.855 1.00 24.34 7

ATOM 1166 C8 A 56 46.386 26.275 21.789 1.00 24.09 6

ATOM 1167 C2* A 56 49.840 25.168 21.797 1.00 22.84 6

ATOM 1168 02* A 56 50.690 24.059 21.990 1.00 22.11 8

ATOM 1169 C3* A 56 50.130 26.324 22.745 1.00 22.49 6

ATOM 1170 03* A 56 51.503 26.430 23.086 1.00 22.08 8

ATOM 1171 P C 57 52.404 27.589 22.434 1.00 23.57 15

ATOM 1172 O1P C 57 51.623 28.858 22.519 1.00 23.75 8

ATOM 1173 O2P C 57 53.740 27.502 23.068 1.00 22.40 8

ATOM 1174 O5* C 57 52.574 ^■27.130 20.921 1.00 23.90 8

ATOM 1175 C5* C 57 52.944 25.792 20.656 1.00 28.34 6

ATOM 1176 CA* C 57 53.172 25.562 19-187 1.00 30.66 6

ATOM 1177 04* C 57 51.896 25.517 18.493 1.00 31.48 8

ATOM 1178 Cl* C 57 51.731 26.644 17-655 1.00 31.33 6

ATOM 1179 Nl C 57 50.434 27.268 17.966 1.00 31.54 7

ATOM 1180 C6 C 57 50.230 27.905 19.159 1.00 33.20 6

ATOM 1181 C2 C 57 49.401 27.210 17-006 1.00 30.44 6 ATOM 1182 O2 C 57 49.601 26.605 15.944 1.00 29.50 8

ATOM 1183 N3 C 57 48.214 27.810 17.269 1.00 29.48 7

ATOM 1184 C4 C 57 48.029 28.438 18-440 00 32.95 6

ATOM 1185 N4 C 57 46.834 29.020 18.672 00 32.57 7

ATOM 1186 C5 C 57 49.057 28.500 19.436 00 33.08 6

ATOM 1187 C2* C 57 52.953 27.560 17.783 00 31.49 6

ATOM 1188 O2* C 57 53.378 27.884 16.476 00 33.33 8

ATOM 1189 C3* C 57 53.953 26.662 18.508 00 31.82 6

ATOM 1190 O3* C 57 55.350 26.495 18.241 00 31.77 8

ATOM 1191 P A 58 55.821 25.575 17.018 00 31.60 15

ATOM 1192 O1P A 58 54.873 25.808 15.902 1..00 31-69 8

ATOM 1193 O2P A 58 57.270 25.806 16.820 1..00 31.62 8

ATOM 1194 O5* A 58 55.616 24.078 17.534 1.00 31.14 8

ATOM 1195 C5* A 58 54.824 23.159 16.789 1.00 29.71 6

ATOM 1196 CA* A 58 55.543 21.831 16.630 1.00 28.79 6

ATOM 1197 O4* A 58 56.846 22.037 16.027 1.00 27.04 8

ATOM 1198 Cl* A 58 57.845 21.719 16.960 1.00 25.75 6

ATOM 1199 N9 A 58 59.043 22.515 16.726 1.00 23.17 7

ATOM 1200 C4 A 58 60.161 21.996 16.117 1.00 23.30 6

ATOM 1201 N3 A 58 60.332 20.735 15.668 1.00 22.16 7

ATOM 1202 C2 A 58 61.537 20.590 15.132 1.00 22.29 6

ATOM 1203 Nl A 58 62.521 21.492 15.000 1. 00 22.72 7

ATOM 1204 C6 A 58 62.316 22.748 15.457 1.00 22.24 6

ATOM 1205 N6 A 58 63.299 23.645 15.318 1.00 20-94 7

ATOM 1206 C5 A 58 61.070 23.031 16.055 1.00 21.84 6

ATOM 1207 N7 A 58 60.537 24.182 16.623 1.00 20.78 7

ATOM 1208 C8 A 58 59.337 23.820 17.004 1.00 21.71 6

ATOM 1209 C2* A 58 57.241 21.537 18.348 00 27.20 6

ATOM 1210 O2* A 58 57.927 20.479 18.970 00 29.12 8

ATOM 1211 C3* A 58 55.807 21.168 17.983 00 28.28 6

ATOM 1212 03* A 58 55.569 19.767 17.850 00 29.65 8

ATOM 1213 P U 59 55:207 18.865 19.123 00 31.26 15

ATOM 1214 O1P U 59 56.003 17.608 19.002 00 28.49 8

ATOM 1215 O2P U 59 55.365 19.713 20.332 00 32.07 8

ATOM 1216 O5* U 59 53.651 18.546 18.885 1.00 31.03 8

ATOM 1217 C5* U 59 53.240 17.493 18.005 1.00 28.71 6

ATOM 1218 C4* U 59 52.110 17.932 17.081 1.00 28.51 6

ATOM 1219 O4* U 59 50.889 18.155 17.833 1.00 28.87 8

ATOM 1220 Cl* U 59 50.527 19.511 17.779 1.00 28.98 6

ATOM 1221 Nl U 59 49.914 19.937 19.042 1.00 29.89 7

ATOM 1222 C6 U 59 50.536 19.774 20.254 1.00 31.66 6

ATOM 1223 C2 U 59 48.657 20.523 18.957 1.00 30.75 6

ATOM 1224 O2 U 59 48.073 20.688 17.901 1.00 32.13 8

ATOM 1225 N3 U 59 48.111 20.907 20.154 1.00 31.04 7

ATOM 1226 C4 U 59 48.678 20.776 21.400 1.00 30.64 6

ATOM 1227 O4 U 59 48.061 21.174 22.383 1, 00 31.70 8

ATOM 1228 C5 U 59 49.977 20.166 21.409 1.00 31.21 6

ATOM 1229 C2* U 59 51.672 20.325 17.187 1.00 29.39 6

ATOM 1230 02* U 59 51.073 21.288 16.351 1.00 30.97 8

ATOM 1231 C3* U 59 52.419 19.257 16.393 1.00 29.11 6

ATOM 1232 03* U 59 52.119 19.254 14.999 1.00 29.98 8

ATOM 1233 P C 60 53.090 18.516 13.961 1.00 30.06 15

ATOM 1234 O1P C 60 53.433 17.182 14.507 1.00 32.14

ATOM 1235 02P C 60 52.460 18.616 12.618 1.00 31.27

ATOM 1236 05* C 60 54.405 19.408 13.980 1.00 30.04

ATOM 1237 C5* C 60 54.519 20.540 13.138 1, 00 29.25 6

ATOM 1238 C4* C 60 55.829 20.489 12.410 1, 00 29.56 6

ATOM 1239 O4* C 60 56.903 20.643 13.375 1, 00 29.91 8

ATOM 1240 Cl* C 60 57.989 19.808 13.009 1.00 29.73 6 ATOM 1241 Nl C 60 58.145 18.790 14.048 1.00 30.16 7

ATOM 1242 C6 C 60 57.138 18.520 14.934 1.00 30.66 6

ATOM 1243 C2 C 60 59.334 18.088 14.101 1.00 30.85 6

ATOM 1244 02 C 60 60.225 18.373 13.289 1.00 31.69 8

ATOM 1245 N3 C 60 59.489 17.116 15.028 1.00 31.22 7

ATOM 1246 C4 C 60 58.502 16.847 15.882 1.00 30.46 6

ATOM 1247 N4 C 60 58.699 15.877 16.775 1.00 31.06 7

ATOM 1248 C5 C 60 57.271 17.562 15.858 1.00 30.14 6

ATOM 1249 C₂* C 60 57.632 19.164 11.668 1.00 29.33 6

ATOM 1250 02* C 60 58.097 19.940 10.585 1.00 28.45 8

ATOM 1251 C3* C 60 56.120 19.153 11.750 1.00 29.34 6

ATOM 1252 O3* C 60 55.537 19.051 10.466 1.00 29.25 8

ATOM 1253 P G 61 55.088 17.612 9.924 1.00 29.93 15

ATOM 1254 O1P G 61 54.088 17.020 10.856 1.00 29.44 8

ATOM 1255 O2P G 61 54.746 17.769 8.486 1.00 31.49 8

ATOM 1256 O5* G 61 56.421 16.756 10.020 1.00 29.38 8

ATOM 1257 C5* G 61 57.465 16.949 9.085 1.00 28.75 6

ATOM 1258 C4* G 61 58.560 15.958 9.334 1.00 28.67 6

ATOM 1259 04* G 61 59.098 16.184 10.663 1.00 29.93 8

ATOM 1260 Cl* G 61 59.509 14.947 11.223 1.00 30.28 6

ATOM 1261 N9 G 61 58.712 14.695 12.420 1 1,.00 30.39 7

ATOM 1262 C4 G 61 58.957 13.729 13.361 1 1,.00 29.28 6

ATOM 1263 N3 G 61 59.994 12.872 13.355 1.00 28.67 7

ATOM 1264 C2 G 61 59.961 12.055 14.387 1.00 28.55 6

ATOM 1265 N2 G 61 60.924 11.143 14.540 1.00 29.62 7

ATOM 1266 Nl G 61 58.984 12.072 15.348 1.00 29.27 7

ATOM 1267 C6 G 61 57.905 12.944 15.376 1.00 29.11 6

ATOM 1268 06 G 61 57.081 12.876 16.295 1.00 28.79 8

ATOM 1269 C5 G 61 57.929 13.833 14.271 1.00 29.22 6

ATOM 1270 N7 G 61 57.057 14.852 13.916 1.00 28.86 7

ATOM 1271 C8 G 61 57.565 15.340 12.817 1.00 29.54 6

ATOM 1272 C2* G 61 59.258 13.878 10.155 1.00 30.21 6

ATOM 1273 02* G 61 60.403 13.720 9.348 1.00 30.84

ATOM 1274 C3* G 61 58.122 14.510 9.375 1.00 29.03

ATOM 1275 O3* G 61 58.047 13.966 8.077 1.00 29.33

ATOM 1276 P G 62 57.027 12.765 7.779 1.00 30.82 15

ATOM 1277 O1P G 62 55.771 13.012 8.532 1.00 29.72 8

ATOM 1278 O2P G 62 56.978 12.627 6.295 1.00 30.96 8

ATOM 1279 05* G 62 57.751 11.490 8.401 1.00 29.92 8

ATOM 1280 C5* G 62 59.015 11.063 7.900 1.00 30.05 6

ATOM 1281 C4* G 62 59.558 9.926 8.731 1.00 30.08 6

ATOM 1282 O4* G 62 59.870 10.398 10.066 1.00 30.06 8

ATOM 1283 Cl* G 62 59.610 9.373 11.013 1.00 30.07 6

ATOM 1284 N9 G 62 58.553 9.846 11.902 1.00 30.21 7

ATOM 1285 CA G 62 58.130 9.267 13.074 1.00 29.96 6

ATOM 1286 N3 G 62 58.637 8.154 13.640 1.00 29.96 7

ATOM 1287 C2 G 62 58.003 7.836 14.759 1.00 29.24 6

ATOM 1288 N2 G 62 58.375 6.760 15.453 1.00 29.33 7

ATOM 1289 Nl G 62 56.959 8.551 15.279 1.00 29.10 7

ATOM 1290 C6 G 62 56.421 9.703 14.717 1.00 30.87 6

ATOM 1291 O6 G 62 55.468 10.278 15.270 1.00 31.15 8

ATOM 1292 C5 G 62 57.092 10.059 13.518 1.00 30.74 6

ATOM 1293 N7 G 62 56.879 11.122 12.654 1.00 30.90 7

ATOM 1294 C8 G 62 57.769 10.958 11.715 1.00 31.07 6

ATOM 1295 C2* G 62 59.208 8.131 10.216 1.00 30.47 6

ATOM 1296 O2* G 62 60.355 7.353 9.934 1.00 28.58 8

ATOM 1297 C3* G 62 58.613 8.765 8.967 1.00 30.65 6

ATOM 1298 O3* G 62 58.623 7.870 7.869 1.00 31.79 8

ATOM 1299 P C 63 57.295 7.047 7.513 1.00 33.76 15 ATOM 1300 O1P C 63 56.129 7.956 7.716 00 34.27 8

ATOM 1301 02P C 63 57.501 6.400 6.193 00 33.63 8

ATOM 1302 05* C 63 57.225 5.927 8.642 00 32.79 8

ATOM 1303 C5* C 63 58.241 4.951 8.756 00 33.02 6

ATOM 1304 C4* C 63 58.034 4.128 10.002 00 34.43 6

ATOM 1305 O4* C 63 58.180 4.970 - 11.182 00 34.37 8

ATOM 1306 Cl* C 63 57.370 4.456 12.233 00 33.67 6

ATOM 1307 Nl C 63 56.378 5.479 12.598 00 33.59 7

ATOM 1308 C6 C 63 56.138 6.550 11.783 00 32.38 6

ATOM 1309 C2 C 63 55.668 5.329 13.795 00 33.46 6

ATOM 1310 O2 C 63 55.908 4.349 14.517 00 33.92 8

ATOM 1311 N3 C 63 54.740 6.251 14.131 00 32.60 7

ATOM 1312 C4 C 63 54.506 7 287 13.325 00 32.01 6

ATOM 1313 N4 C 63 53.573 8.163 13.694 00 30.44 7

ATOM 1314 C5 C 63 55.219 7.468 12.104 00 31.68 6

ATOM 1315 C2* C 63 56.689 3.203 11.681 00 33.60 6

ATOM 1316 O2* C 63 57.484 2.065 11.945 00 32.05

ATOM 1317 C3* C 63 56.652 3.536 10.200 00 34.69

ATOM 1318 O3* C 63 56.398 2.397 9.395 00 35.05 8

ATOM 1319 P G 64 54.915 2..171 8.816 00 36.48 15

ATOM 1320 O1P G 64 54.406 3..489 8.347 1.00 36.22 8

ATOM 1321 O2P G 64 54.942 1..016 7.884 1.00 37.89 8

ATOM 1322 05* G 64 54.047 1..758 10.087 1.00 35.90 8

ATOM 1323 C5* G 64 54.287 0.528 10.755 1.00 33.65 6

ATOM 1324 C4* G 64 53.503 0.463 12.043 1.00 32.97 6

ATOM 1325 04* G 64 53.823 1.616 12.872 1.00 31.92 8

ATOM 1326 Cl* G 64 52.727 1.891 13.729 1.00 30.84 6

ATOM 1327 N9 G 64 52.242 3.239 13.464 1.00 29.40 7

ATOM 1328 C4 G 64 51.333 3.919 14.234 1.00 28.70 6

ATOM 1329 N3 G 64 50.792 3.477 15.387 1.00 28.22 7

ATOM 1330 C2 G 64 49.914 4, .329 15.877 1.00 28.80 6

ATOM 1331 N2 G 64 49.274 4..044 17.022 1.00 28.69 7

ATOM 1332 Nl G 64 49.594 5..522 15.283 1.00 28.55 7

ATOM 1333 C6 G 64 50.140 5, .998 14.102 1.00 27.59 6

ATOM 1334 O6 G 64 49.775 7.087 13.657 1.00 30.41 8

ATOM 1335 C5 G 64 51.087 5.094 13.562 1.00 28.33 6

ATOM 1336 N7 G 64 51.855 5.172 12.407 1.00 28.17 7

ATOM 1337 C8 G 64 52.534 4.053 12.397 ,00 29.27 6

ATOM 1338 C2* G 64 51.634 0.882 13.375 ,00 31.53 6

ATOM 1339 02* G 64 51.718 -0.271 14.184 .00 30.79 8

ATOM 1340 C3* G 64 51.996 0.563 11.939 ,00 32.32 6

ATOM 1341 O3* G 64 51.398 -0.656 11.557 .00 33.48 8

ATOM 1342 P G 65 50.046 -0.629 10.686 .00 36.50 15

ATOM 1343 O1P G 65 50.155 0.470 .9.682 .00 35.50 8

ATOM 1344 O2P G 65 49.816 -2.031 10.237 .00 36.20 8

ATOM 1345 O5* G 65 48.895 -0.189 11.700 .00 33.19 8

ATOM 1346 C5* G 65 48.706 -0.884 12.912 .00 31.00 6

ATOM 1347 C4* G 65 47.834 -0.088 13.847 1.00 30.12 6

ATOM 1348 04* G 65 48.429 1.204 14.130 00 29.85 8

ATOM 1349 Cl* G 65 47.410 2..100 14.545 00 29.69 6

ATOM 1350 N9 G 65 47.467 3, .300 13.725 00 30.70 7

ATOM 1351 C4 G 65 46.751 4.453 13.933 00 31.30 6

ATOM 1352 N3 G 65 45.883 4.674 14.943 00 30.37 7

ATOM 1353 C2 G 65 45.338 5.873 14.871 00 30.12 6

ATOM 1354 N2 G 65 44.447 6.253 15.794 00 28.27 7

ATOM 1355 Nl G 65 45.624 6.789 13.885 00 32.05 7

ATOM 1356 C6 G 65 46.512 6.583 12.834 00 31.40 6

ATOM 1357 06 G 65 46.692 7.472 11.994 1.00 30.72 8

ATOM 1358 C5 G 65 47.104 5.296 12.901 1.00 31.68 6 ATOM 1359 N7 G 65 48.031 4.687 12.066 1.00 33.27 7

ATOM 1360 C8 G 65 48.219 3.507 12.596 1.00 32.16 6

ATOM 1361 C2* G 65 46.078 1.375 14.370 1.00 29.39 6

ATOM 1362 02* G 65 45.705 0.853 15.629 1.00 30.61 8

ATOM 1363 C3* G 65 46.453 0.293 13.360 1.00 28.69 6

ATOM 1364 03* G 65 45.575 -0.816 13.448 1.00 25.67 8

ATOM 1365 P G 66 44.252 -0.852 12.548 1.00 24.89 15

ATOM 1366 O1P G 66 44.647 -0.706 11.125 1.00 26.69 8

ATOM 1367 O2P G 66 43.469 -2.035 12.970 1.00 25.12 8

ATOM 1368 O5* G 66 43.463 0.471 12.946 1.00 24.73 8

ATOM 1369 C5* G 66 42.760 0..565 14.174 1.00 25.85 6

ATOM 1370 C4* G 66 42.044 1..890 14.257 1.00 28.02 6

ATOM 1371 04* G 66 43.031 2.959 14.299 1.00 29.56 8

ATOM 1372 Cl* G 66 42.562 4.074 13.557 1.00 29.10 6

ATOM 1373 N9 G 66 43.423 4.228 12.394 1.00 29.98 7

ATOM 1374 C4 G 66 43.571 5.357 11.627 1.00 30-02 6

ATOM 1375 N3 G 66 42.957 6.540 11.828 1.00 29.79 7

ATOM 1376 C2 G 66 43.301 7.433 10.917 1.00 29.96 6

ATOM 1377 N2 G 66 42.788 8.666 10.957 1.00 29.83 7

ATOM 1378 Nl G 66 44.174 7.185 9.898 1.00 30.63 7

ATOM 1379 C6 G 66 44.816 5.974 9.676 1.00 31.43 6

ATOM 1380 O6 G 66 45.589 5.857 8.726 1.00 36.28 8

ATOM 1381 C5 G 66 44.460 5.010 10.638 1.00 30.85 6

ATOM 1382 N7 G 66 44.871 3.692 10.783 1.00 30.97 7

ATOM 1383 C8 G 66 44.234 3.270 11.838 1.00 30.16 6

ATOM 1384 C2* G 66 41.124 3.763 13.146 1.00 28.53 6

ATOM 1385 02* G 66 40.267 4.261 14.150 1.00 29.06 8

ATOM 1386 C3* G 66 41.165 2.241 13.065 1.00 28.08 6

ATOM 1387 03* G 66 39.876 1.638 13.163 1.00 27.86 8

ATOM 1388 P U 67 39.052 1.296 11.822 1.00 27.98 15

ATOM 1389 O1P ϋ 67 40.018 1.345 10.701 1.00 27.39 8

ATOM 1390 02P U 67 38.266 0.063 12.043 1.00 27.72 8

ATOM 1391 05* U 67 38.039 2.531 11.673 1.00 28.65 8

ATOM 1392 C5* ϋ 67 36.672 2.336 11.268 1.00 28.48 6

ATOM 1393 C4* U 67 35.750 3.233 12.071 1.00 27.98 6

ATOM 1394 O4* U 67 36.168 3.201 13.439 1.00 29.13 8

ATOM 1395 Cl* U 67 35.724 4.377 14.041 1.00 27.65 6

ATOM 1396 Nl U 67 36.348 4.537 15.359 1.00 27.45 7

ATOM 1397 C6 U 67 37.649 4.190 15.604 1.00 27.18 6

ATOM 1398 C2 U 67 35.538 5.015 16.364 1.00 28.24 6

ATOM 1399 02 U 67 34.373 5.356 16.170 1.00 28.84 8

ATOM 1400 N3 U 67 36.127 5.076 17.602 1.00 28.08 7

ATOM 1401 C4 U 67 37.415 4.723 17.923 1.00 26.71 6

ATOM 1402 04 U 67 37.796 4..826 19.088 1.00 28.24 8

ATOM 1403 C5 U 67 38.195 4..259 16.822 1.00 26.85 6

ATOM 1404 C2* U 67 35.750 5, .489 12.994 1.00 26.27 6

ATOM 1405 02* U 67 34.608 6.283 13.157 1.00 25.47 8

ATOM 1406 C3* U 67 35.699 4.709 11.673 1.00 27.26 6

ATOM 1407 O3* U 67 34.362 5. ,006 11.221 1.00 27.53 8

ATOM 1408 P G 68 33.835 4.561 9.764 1 1..00 25.19 15

ATOM 1409 O1P G 68 34.362 3.211 9.431 11.,00 25.99 8

ATOM 1410 O2P G 68 32.372 4.776 9.761 1.00 24.71 8

ATOM 1411 05* G 68 34.467 5.668 8.809 1.00 24.72 8

ATOM 1412 C5* G 68 34.158 048 8.995 1.00 23.88 6

ATOM 1413 C4* G 68 34.982 902 8.062 1.00 25.14 6

ATOM 1414 O4* G 68 36.386 715 8.372 1.00 25.96 8

ATOM 1415 Cl* G 68 37.146 695 7 175 1.00 27.15 6

ATOM 1416 N9 G 68 37.779 6.382 7, 079 1.00 29.03 7

ATOM 1417 C4 G 68 38.786 5.990 6.223 1.00 29.97 6 ATOM 1418 N3 G 68 39-365 6.750 5.273 1.00 31.14 7

ATOM 1419 C2 G 68 40.309 6.085 4.616 1.00 32.43 6

ATOM 1420 N2 G 68 40.995 6.686 3.629 1.00 34.57 7

ATOM 1421 Nl G 68 40.655 4-.781 4.875 1.00 31.54 7

ATOM 1422 C6 G 68 40.076 3.983 5.850 .00 31.01 6

ATOM 1423 06 G 68 40.470 2.821 6.008 .00 31.73 8

ATOM 1424 C5 G ^"• . 68 39.059 4.680 6.559 .00 30.54 6

ATOM 1425 N7 G 68 38.236 4.254 7.590 .00 31.21 7

ATOM 1426 C8 G 68 37.493 5.290 7.862 .00 29.99 6

ATOM 1427 C2* G 68^' 36.191 8.062 6.035 .00 26.34 6

ATOM 1428 O2* G 68 36.162 9.466 5.881 .00 26.62 8

ATOM 1429 C3* G 68 34.863 7.569 6.582 .00 26.01 6

ATOM 1430 O3* G 68 33.777 8.287 5.997 1.00 26.59 8

ATOM 1431 P C 69 32.804 7.548 4.952 00 25.87 15

ATOM 1432 O1P C 69 32.452 6.242 5.557 00 24.52 8

ATOM 1433 O2P C 69 31.718 8.481 4.565 00 25.89 8

ATOM 1434 O5* C 69 33.748 7.330 3.684 00 26.48 8

ATOM 1435 C5* C 69 34.347 8.449 3.021 00 26.19 6

ATOM 1436 C4* C 69 35.427 7.991 2.065 00 28.07 6

ATOM 1437 O4> C 69 36.569 7.475 2.799 00 27.56 8

ATOM 1438 Cl* C 69 37.170 6.417 2.065 00 28.28 6

ATOM 1439 Nl C 69 37.152 5.209 2.905 00 27.10 7

ATOM 1440 C6 C 69 36.253 5.079 3.926 00 26.56 6

ATOM 1441 C2 C 69 38.077 4.197 2.650 00 27.36 6

ATOM 1442 O2 C 69 38.874 4.337 1.713 00 27.52 8

ATOM 1443 N3 C 69 38.083 3, .092 3.432 00 27.51 7

ATOM 1444 C4 C 69 37.206 2, .978 4.431 00 26.03 6

ATOM 1445 N4 C 69 37.248 1.871 5.178 00 24.11 7

ATOM 1446 C5 C 69 36.247 3.993 4.709 00 25.48 6

ATOM 1447 C2* C 69 36.392 6.263 0.752 00 29.21 6

ATOM 1448 O2* C 69 37.026 6.985 -0.285 00 29.41 8

ATOM 1449 C3* C 69 35.040 6.858 1.129 1.00 30.12 6

ATOM 1450 O3* C 69 34.347 7.349 -0.009 1.00 31.94 8

ATOM 1451 P C 70 33.131 6.499 -0.616 1.00 34.85 15

ATOM 1452 OlP C 70 32.405 5.874 0.523 ,00 35.05 8

ATOM 1453 O2P C 70 32.396 7.377 -1.560 .00 35.42 8

ATOM 1454 05* C 70 33.852 5.341 -1.436 .00 33.83 8

ATOM 1455 C5* C 70 34.691 5.653 -2.535 .00 32.71 6

ATOM 1456 C4* C 70 35.400 4.416 -3.006 .00 32.89 6

ATOM 1457 O4* C 70 36.357 3.987 -2.005 ,00 32.89^' 8

ATOM 1458 Cl* C 70 36.488 2.574 -2.049 ,00 33.54 6

ATOM 1459 Nl C 70 36.204 2.037 -0.710 ,00 33.17 7

ATOM 1460 C6 "C 70 35.464 2.751 0.189 ,00 34.03 6

ATOM 1461 C2 C 70 36.704 0.788 -0.369 ,00 32.28 6

ATOM 1462 02 C 70 37.355 0.163 -1.203 ,00 32.55 8

ATOM 1463 N3 C 70 36.465 0.290 0.862 1.00 32.71 7

ATOM 1464 C4 C 70 35.751 0.998 1.736 .00 32.21 6

ATOM 1465 N4 C 70 35.548 0.477 2.943 .00 33.79 7

ATOM . 1466 C5 C 70 35.216 2.272 1.412 ,00 32.48 6

ATOM 1467. C2* C 70 35.521 2.061 -3.119 ,00 34.37 6

ATOM 1468 02* C 70 36.215 1.878 -4.339 .00 34.77 8

ATOM 1469 C3* C 70 34.511 3.202 -3.177 1.00 33.75 6

ATOM 1470 O3* C ^• 70 33.814 3.243 -4.408 1.00 32.70 8

ATOM 1471 P C 71 32.395 2.510 -4.528 1.00 33.75 15

ATOM 1472 O1P C 71 31.635 2.814 -3.292 1.00 34.19 8

ATOM 1473 O2P C 71 31.814 2.856 -5.855 1.00 33.90 8

ATOM 1474 05* C 71 32.754 0.959 -4.492 1.00 31.77 8

ATOM 1475 C5* C 71 33.402 O-.351 -5.591 1.00 30.40 6

ATOM 1476 C4* C 71 33.746 -1.081 -5.275 1.00 30.9.1 ATOM 1477 04* C 71 34.719 -1.139 -4.199 1.00 30.22 8

ATOM 1478 Cl* C 71 34.540 -2.341 -3.471 1.00 30.30 6

ATOM 1479 Nl C 71 34.202 -1.990 -2.085 1.00 30.66 7

ATOM 1480 C6 C 71 33.651 -0.774 -1.788 1.00 31.15 6

ATOM 1481 C2 C 71 34.441 -2.926 -1.071 1.00 30.97 6

ATOM 1482 02 C 71 34.949 -4.017 -1.370 1.00 30.46 8

ATOM 1483 N3 C 71 34.110 -2.616 0.206 1.00 31.63 7

ATOM 1484 C4 C 71 33.567 -1.427 0.483 1, 00 31.20 6

ATOM 1485 N4 C 71 33.255 -1.162 1.750 1.00 31.69 7

ATOM 1486 C5 C 71 33.318 -0.456 -0.531 1, 00 31.38 6

ATOM 1487 C2* C 71 33.400 -3.104 -4.153 1 00 30.05 6

ATOM 1488 02* C 71 33.942 -3.966 -5.128 1.00 29.33 8

ATOM 1489 C3* C 71 32.617 -1.9§2 -4.780 1.00 30.23 6

ATOM 1490 03* C 71 31.829 -2.417 -5.866 00 31.42 8

ATOM 1491 P ϋ 72 30.260 -2.673 -5.659 00 31.30 15

ATOM 1492 O1P U 72 29.782 -1.616 -4.740 00 32.42 8

ATOM 1493 02P U 72 29.629 -2.826 -6.990 00 31.57 8

ATOM 1494 O5* U 72 30.192 -4.080 -4.917 00 30.73 8

ATOM 1495 C5* U 72 30.597 -5.273 -5.580 00 30.09 6

ATOM 1496 C4* U 72 30.754 -6.392 -4.587 00 30.01 6

ATOM 1497 O4* U 72 31.769 -6.023 -3.620 00 31.11 8

ATOM 1498 Cl* U 72 31.435 -6.550 -2.345 00 29.06 6

ATOM 1499 Nl ϋ 72 31.251 -5.435 -1.407 00 27.67 7

ATOM 1500 C6 U 72 31.085 -4.141 -1.844 1.00 26.44 6

ATOM 1501 C2 U 72 31.242 -5.735 -0.056 1.00 27 .62 6

ATOM 1502 O2 U 72 31.392 -6.870 0.366 1.00 27.69 8

ATOM 1503 N3 U 72 31.051 -4.660 0.780 1.00 25.45 7

ATOM 1504 C4 ϋ 72 30.877 -3.341 0.412 1.00 25.80 6

ATOM 1505 04 U 72 30.730 -2.479 1.284 1-00 23.31 8

ATOM 1506 C5 U 72 30.903 -3.110 -1.004 1.00 25.57 6

ATOM 1507 C2* ϋ 72 30.168 -7.376 -2.530 1.00 29.75 6

ATOM 1508 02* U 72 30.556 -8.705 -2.799 1.00 30.19 8

ATOM 1509 C3* ϋ 72 29.538 -6.676 -3.727 1.00 30.46 6

ATOM 1510 03* U 72 28.622 -7.506 -4.430 1.00 32.32 8

ATOM 1511 P G 73 27.063 -7.488 -4.042 1.00 30.99 15

ATOM 1512 OlP G 73 26.649 -6.076 -3.915 1.00 30.71 8

ATOM 1513 O2P G 73 26.354 -8.369 -4.999 1.00 33.04 8

ATOM 1514 05* G 73 27.039 -8.197 -2.619 1.00 30.49 8

ATOM 1515 C5* G 73 27.470 -9.545 -2.482 1.00 29.55 6

ATOM 1516 C4* G 73 27.370 -9.979 -1.044 1.00 28.87 6

ATOM 1517 O4* G 73 28.376 -9.300 -0.251 1.00 28.87 8

ATOM 1518 Cl* G 73 27.863 -9.040 1.044 1.00 28.61 6

ATOM 1519 N9 G 73 27.865 -7.596 1.252 1.00 28.27 7

ATOM 1520 C4 G 73 27.827 -6.949 2.466 1.00 27.73 6

ATOM 1521 N3 G 73 27.759 -7.542 3. ,680 1.00 25.43 7

ATOM 1522 C2 G 73 27.746 -6.657 4..665 1.00 24.66 6

ATOM 1523 N2 G 73 27.687 -7.073 5..942 1.00 21.56 7

ATOM 1524 Nl G 73 27.792 -5.297 4.473 00 25.66 7

ATOM 1525 C6 G 73 27.866 -4.661 3.237 00 27.00 6

ATOM 1526 06 G 73 27.908 -3.423 3.182 00 26.80 8

ATOM 1527 C5 G 73 27.882 -5.603 2.165 00 27.81 6

ATOM 1528 N7 G 73 27.944 -5.407 0.789 00 27.08 7

ATOM 1529 C8 G 73 27.925 -6.614 0.290 1.00 27.44 6

ATOM 1530 C2* G 73 26.460 -9.638 1.097 1. 00 28.96 6

ATOM 1531 02* G 73 26.521 -10.960 1.574 1.00 28.95 8

ATOM 1532 C3* G 73 26.074 -9.591 -0.370 1.00 29.14 6

ATOM 1533 O3* G 73 25.042 -10.505 -0.668 1.00 29.48 8

ATOM 1534 P C 74 23.522 -10.018 -0.586 1.00 28.82 15

ATOM 1535 O1P C 74 23.442 -8.743 -1.342 1.00 29.13 ATOM 1536 02P C 74 22.643 -11.163 -0.946 1.00 29.06 8 ATOM 1537 05* C 74 23.302 -9.681 0.951 1.00 29.20 8 ATOM 1538 C5* C 74 ^' 23.239 -10.720 1.908 1.00 29.13 6 ATOM 1539 C4* C 74 23.101 -10.145 3.288 1.00 29.09 6 ATOM 1540 04* C 74 24.289 -9.379 3.622 1.00 28.91 8 ATOM 1541 Cl* C 74 23.935 -8.316 4.494 1.00 28.54 6 ATOM 1542 N Nll C 74 24.209 -7.051 3.795 1.00 29.09 7 ATOM 1543 C C66 C 74 24.279 -7.011 2.431 1.00 27.51 6 ATOM 1544 C2 C 74 24.385 -5.880 4.546 1.00 29.36 6 ATOM 1545 O2 C 74 24.327 -5.942 5.784 1.00 30.05 8 ATOM 1546 N3 C 74 24.614 -4.713 3.902 1.00 29.00 7

ATOM 1547 C4 C 74 24.672 -4.689 2.569 1.00 27.58 6 ATOM 1548 N4 C 74 24.898 -3.520 1.979 1.00 27.89 7 ATOM 1549 C5 C 74 24.503 -5.863 1..785 1.00 27.25 6 ATOM 1550 C2* C 74 22.442 -8.487 4..784 1.00 28.83 6

ATOM 1551 02* C 74 22.255 -9.352 5.893 1.00 27.64 8 ATOM 1552 C3* C 74 21.986 -9.140 3.492 00 28.49 6

ATOM 1553 O3* C 74 20.741 -9.789 3.653 00 29.17 8 ATOM 1554 P G 75 19.386 -9.002 3.321 00 28.43 15 ATOM 1555 OIP G 75 19.524 -8.372 1, 987 00 29.20 8 ATOM 1556 02P G 75 18.259 -9.936 3, 594 00 27.14 8 ATOM 1557 05* G 75 19.350 -7.820 4, 384 00 29.51 8 ATOM 1558 C5* G 75 19.194 -8.092 5.772 00 28.52 6 ATOM 1559 C4* G 75 19.273 -6.811 6.558 00 28.13 6 ATOM 1560 04* G 75 20.606 -6.250 6.426 00 28.54 8 ATOM 1561 Cl* G 75 20.526 -4.832 6.442 00 27.53 6 ATOM 1562 N9 G 75 20.998 -4.334 5.155 00 26.31 7 ATOM 1563 C4 G 75 21.345 -3.035 4.867 00 25.38 6 ATOM 1564 N3 G 75 21.340 -2.003 5.737 00 23.84 7 ATOM 1565 C2 G 75 21.709 -0.872 5.163 00 24.03 6 ATOM 1566 N2 G 75 21.771 0.255 5.883 00 24.34 7 ATOM 1567 N Nll G 75 22.050 -0.759 3.839 00 25.69 7 ATOM 1568 CC66 G 75 22.064 -1.807 2.923 00 24.74 6 ATOM 1569 O6 G 75 22.386 -1.590 1.750 00 23.85 8 ATOM 1570 C5 G ^• 75 21.676 -3.033 3.528 00 24.31 6 ATOM 1571 N7 G 75 21.559 -4.308 2.990 00 24.89 7 ATOM 1572 C8 G 75 21.159 -5.047 3.991 00 24.59 6 ATOM 1573 C2* G 75 19.057 -4.475 6.687 1 00 27.40 6 ATOM 1574 02* G 75 18.819 -4.391 8.078 1 00 26.40 8 ATOM 1575 C3* G 75 18.367 -5.687 6.082 00 27.90 6 ATOM 1576 O3* G 75 17.062 -5.845 6.608 00 29.43 8 ATOM 1577 P P G 76 15.792 -5.354 5.758 00 29.66 15 ATOM 1578 OOIIPP G 76 16.091 -5.631 4.327 00 28.85 8 ATOM 1579 O2P G 76 14.594 -5.965 6.396 00 28.40 ATOM 1580 05* G 76 15.754 -3.775 6.003 00 29.67 ATOM 1581 C5* G 76 15.644 -3.261 7.329 00 30.46 6 ATOM 1582 CA* G 76 15.869 -1.769 7.353 00 31.20 6 ATOM 1583 04* G 76 17.248 -1.458 7.033 00 31.68 8 ATOM 1584 Cl* G 76 17.310 -0.193 6.391 00 30.92 6 ATOM 1585 N9 G 76 17.939 -0.366 5.085 00 29.27 7 ATOM 1586 C4 G 76 18.446 0.630 4.294 1.00 28.82 6 ATOM 1587 N3 G 76 18.435 1.947 4.579 1.00 30.04 7 ATOM 1588 C2 G 76 19.019 2.664 3.632 1.00 31.06 6 ATOM 1589 N2 G 76 19.094 4.000 3.754 1.00 32.14 7 ATOM 1590 Nl G 76 19.572 2.129 2.496 1.00 30.90 7 ATOM 1591 C6 G 76 19.593 0.777 2.178 1.00 31.39 6

ATOM 1592 06 G 76 20.118 0.403 1.117 1.00 34.26 8 ATOM 1593 C5 G 76 18.964 -0.006 3.189 1.00 29.22 6

ATOM 1594 N7 G 76 18.771 -1.377 3.276 1.00 27.68 7 ATOM 1595 C8 G 76 18.157 -1.543 4.414 00 28.42 6

ATOM 1596 C2* G 76 15.879 0.340 6.308 00 32.10 6

ATOM 1597 O2* G 76 15.625 1.179 7.419 00 32.08 8

ATOM 1598 C3* G 76 15.079 -0.955 6.349 00 32.04 6

ATOM 1599 03* G 76 13.754 -0.738 6.805 00 33.56 8

ATOM 1600 P ,ϋ^" 77 12.556 -0.648 5.739 00 34.53 15

ATOM 1601 O1P U 77 12.849 -1.612 4.650 00 34.20 8

ATOM 1602 O2P U 77 11.282 -0.767 6.496 00 34.03 8

ATOM 1603 05* U 77 12.701 0.832 5.158 00 34.25 8

ATOM 1604 C5* ϋ 77 12.661 1.957 6.031 00 35.25 6

ATOM 1605 C4* U 77 13.113 3.207 5.315 1.00 36.54 6

ATOM 1606 O4* U 77 14.541 3.149 5.045 1.00 37.13 8

ATOM 1607 Cl* ϋ 77 14.819 3.812 3.819 1.00 35.95 6

ATOM 1608 Nl ϋ 77 15.391 2.828 2.890 1.00 34.14 7

ATOM 1609 C6 σ 77 15.189 1, .485 3..072 .00 32.62 6

ATOM 1610 C2 σ 77 16.140 3..298 1..830 .00 34.80 6

ATOM 1611 02 σ 77 16.341 4.487 1, .630 .00 37.16 8

ATOM 1612 N3 U 77 16.651 2.325 1..010 .00 33.59 7

ATOM 1613 C4 U 77 16.489 0.966 1, .142 .00 32.43 6

ATOM 1614 O4 U 77 17.029 0.218 0.336 .00 32.04 8

ATOM 1615 C5 U 77 15-698 0.563 2.257 .00 31.97 6

ATOM 1616 C2* U 77 13.498 4. '399 3.316 .00 36.30 6

ATOM 1617 02* U 77 13-347 5.719 3..790 .00 35.87 8

ATOM 1618 C3* u 77 12.488 3.455 3..953 .00 37.25 6

ATOM 1619 03* U 77 11.209 4.058 4, .074 .00 38.49 8

ATOM 1620 P C 78 10^'- 121 3.854 2..909 .00 40.37 15

ATOM 1621 O1P C 78 10.059 2.402 2.571 .00 39.39 8

ATOM 1622 O2P C 78 8.879 4.572 3.313 1.00 40.49 8

ATOM 1623 O5* C 78 10.733 4.652 1..677 00 39.64 8

ATOM 1624 ^' C5* C 78 10.794 6.070 1.710 00 40.19 6

ATOM 1625 C4* C 78 11.472 6.595 0.473 00 40.85 6

ATOM 1626 04* C 78 12.857 6.161 0.442 00 40.73 8

ATOM 1627 Cl* C 78 13.267 5.991 -0.904 00 40.14 6

ATOM 1628 Nl C 78 13.687 4.599 -1.108 00 39.26 7

ATOM 1629 C6 C 78 13.198 3.583 -0.335 1.00 37.88 6

ATOM 1630 C2 C 78 14.593 4.335 -2.126 .00 38.32 6

ATOM 1631 O2 C 78 15.018 5.283 -2.799 .00 38.80 8

ATOM 1632 N3 C 78 14.985 3.063 -2.354 .00 36.90 7

ATOM 1633 ^• C4 C 78 14.501 2.075 -1.599 .00 36.34 6

ATOM 1634 N4 C 78 14.912 0.837 -1.857 .00 35.37 7

ATOM 1635 C5 C 78 13.575 2.317 -0.545 .00 35.77 6

ATOM 1636 C2* C 78 12.078 6.350 -1.788 .00 40.82 6

ATOM 1637 O2* C 78 12.225 7.698 -2.161 .00 41.16 8

ATOM 1638 C3* C 78 10.912 6.094 -0.840 .00 41.20 6

ATOM 1639 O3* C 78 9:749 6.831 -1.193 .00 43.24 8

ATOM 1640 P U. 79 8.780 6.279 -2.351 1.00 44.18 15

ATOM 1641 O1P U 79 8.023 7, .456 -2.854 ,00 44.03 8

ATOM 1642 02P U 79 9-593 5..464 -3.294 ,00 44.11 8

ATOM 1643 O5* U 79 7.764 5.313 -1.596 ,00 44.08 8

ATOM 1644 C5* U 79 6..605 5..853 -0.997 .00 45.80 6

ATOM 1645 C4* U 79 5.490 4..834 ^•-0.937 .00 47.16 6

ATOM 1646 04* U 79 5.345 4..183 -2.233 .00 48.22 8

ATOM 1647 Cl* U 79 5.649 2.814 -2.121 .00 48.50 6

ATOM 1648 Nl 0 79 6.271 2.308 -3.349 .00 50.77 7

ATOM 1649 C6 U 79 7.187 3.037 -4.061 .00 52.21 6

ATOM ^• 1650 C2 0 79 5..881 .1.040 -3.771 .00 52.43 6

ATOM 1651 O2 U 79 5, .068 0.359 -3.168 .00 52.02 8

ATOM 1652 N3 U 79 6-474 0.601 -4.927 .00 54.04 7

ATOM 1653 C4 U 79 7.398 1.281 -5.694 1.00 54.30 6 ATOM 1654 O4 U 79 7.836 0.754 -6.720 1.00 54.41 8

ATOM 1655 C5 U 79 7.752 2.581 -5.192 1.00 54.20 6

ATOM 1656 C2* ϋ 79 6.283. 2.525 -0.767 1.00 46.92 6

ATOM 1657 O2* U 79 5.732 1.299 -0.353 1.00 47.21 8

ATOM 1658 C3* U 79 5.785 3.711 0.057 1.00 46.71 6

ATOM 1659 03* ϋ 79 4.701 3.519 0.966 1.00 47.23 8

ATOM 1660 P U 80 4.901 2.680 2.323 1.00 48.93 15

ATOM 1661 Olϊ> U 80 5.856 1.561 2.107 1.00 49.10 8

ATOM 1662 O2P U 80 5.153 3.653 3.413 1.00 49.43 8

ATOM 1663 O5* U 80 3. .463 2.033 2.549 1.00 48.41 8

ATOM 1664 C5* U 80 3. .058 1.580 3.832 1.00 48.24 6

ATOM 1665 C4* U 80 2.559 0.155 3.753 1.00 47.87 6

ATOM 1666 04* ϋ 80 1.465 0.073 2.803 1.00 47.30 8

ATOM 1667 Cl* U 80 1. ,400 •1.247 2.282 1.00 46.12 6

ATOM 1668 Nl U 80 1. .379 - 1.188 0.814 1 1,.00 43.25 7

ATOM 1669 C6 U 80 1.624 0.021 0.127 1 1,.00 42.56 ^' 6

ATOM 1670 C2 U 80 1.102 2.363 0.145 1.00 41.02 6

ATOM 1671 O2 U 80 0.892 3.411 0.726 1.00 39.37 8

ATOM 1672 N3 U 80 1.085 2.265 -1.225 1.00 40.12 7

ATOM 1673 C4 U 80 1.319 ^■1.132 -1.977 1.00 40.59 6

ATOM 1674 04 U 80 1.252 1.198 -3.203 1.00 40.22 8

ATOM 1675 C5 U 80 1.606 0.045 -1.211 1.00 41.43 6

ATOM 1676 C2* U 80 2.601 2.016 2.836 1.00 46.76

ATOM 1677 O2* U 80 2.196 2.780 3.955 1.00 46.52

ATOM 1678 C3* U 80 3.534 0.877 3.216 1.00 47.87

ATOM 1679 03* U 80 4.459 1.288 4.210 1.00 49.65

ATOM 1680 P C 81 5.959 1.671 3.779 1.00 50.82 15

ATOM 1681 O1P C 81 6.335 ^•0.722 2.689 1.00 49.73 8

ATOM 1682 02P C 81 6.795 ^•1.761 5, .007 1.00 50.56 8

ATOM 1683 O5* C 81 5.831 ^■3.132 3. 152 1.00 48.36 8

ATOM 1684 C5* C 81 5.414 ^•4.228 3.946 1.00 45.58 6

ATOM 1685 C4* C 81 5.083 -5 400 3.064 1.00 45.25 6

ATOM 1686 04* C 81 4.022 5.025 2.152 1.00 44.50 8

ATOM 1687 Cl* C 81 4.147 5.769 0.954 1.00 43.32 6

ATOM 1688 Nl C 81 4.183 4.834 -0.173 1.00 42.33 7

ATOM 1689 C6 C 81 4.393 3.497 0.019 1.00 40.48 6

ATOM 1690 C2 C 81 3.978 5.339 -1.459 1.00 42.66 6

ATOM 1691 O2 C ^'81 3.813 6.564 -1.601 1.00 43.89 8

ATOM 1692 N3 C ^■ 81 3.965 -4 488 -2.515 1.00 41.16 7

ATOM 1693 C4 C 81 4.155 ^•3.184 -2.320 00 39.33 6

ATOM 1694 N4 ^• C 81 4.123 ^■2.384 -3.390 1.00 37.57 7

ATOM 1695 C5 C 81 4.385 ^•2.642 -1.017 1.00 40.05 6

ATOM 1696 C2* C 81 5-411 ^■6.617 1..068 1.00 44.41 6

ATOM 1697 02* C 81 5.054 -7 918 1,.481 1.00 43.61 8

ATOM 1698 C3* C 81 6.188 5.847 2.127 1.00 45.52 6

ATOM 1699 03* C 81 7.106 6.684 2.807 1.00 46.95 8

ATOM 1700 P C 82 8.657 6.655 2.397 .00 47.96 15

ATOM 1701 O1P C 82 9.013 5.265 1. 998 .00 46.21 8

ATOM 1702 O2P C 82 9.406 7.327 3. ,490 .00 47.62 8

ATOM^' 1703 05* c ^■ 82 8.720 7.577 1. ,100 .00 47.73 8

ATOM 1704 C5* C 82 8.410 8.962 1..180 .00 47.36 6

ATOM 1705 C4* C 82 8.322 9.551 -0.204 1.00 47.49 6

ATOM 1706 04* C 82 7.213 8.938 -0.909 1.00 46.92 8

ATOM 1707 Cl* C 82 7, .519 8.855 -2.290 1. .00 46.20 6

ATOM 1708 Nl C 82 7, .458 7.448 -2.682 1, .00 45.46 7

ATOM 1709 C6 C ^' 82 7, .429 6.456 -1.741 1.00 44.28 6

ATOM 1710 C2 C 82 7, .404 7.138 -4.042 1.00 45.61 6

ATOM 1711 02 C 82 7..469 8.063 -4.867 1.00 44.84 8

ATOM 1712 N3 C ^' 82 7.282 - 5.842 -4.422 1.00 45.01 7 ATOM 1713 C4 C 82 7.228 -4.881 -3.494 1.00 44.34 6-

ATOM 1714 N4 C 82 7.084 -3.621 -3.908 1.00 43.81 7

ATOM 1715 C5 C 82 7.314 -5.172 -2.098 1.00 43.82 6

ATOM 1716 C2* C 82 8.903 -9.464 -2.490 1.00 47.01 6

ATOM 1717 02* C 82 8.782 -10.827 -2.841 1.00 46.71 8

ATOM 1718 C3* C 82 9.506 -9.266 -1.111 1.00 47.55 6

ATOM 1719 O3* C 82 10.588 -10.155 -0.886 1.00 48.19 8

ATOM 1720 P U 83 12.087 -9.649 -1.165 1.00 48.57 15

ATOM 1721 oip ^■ U 83 12.166 -8.232 -0.716 1.00 48.01 8

ATOM 1722 02P ϋ 83 13.031 -10.650 -0.608 1.00 48.11 8

ATOM 1723 05* U 83 12.191 -9.668 -2.752 1.00 46.78 8

ATOM 1724 C5* U 83 12.113 -10.890 -3.456 1.00 45.71 6

ATOM 1725 C4* ϋ 83 12.227 -10.642 -4.932 1.00 46.11 6

ATOM 1726 O4* ϋ 83 11.054 ,-9.930 -5.399 1.00 46.34 8

ATOM 1727 Cl* ϋ 83 11.404 -9.136 -6.523 1.00 45.58 6

ATOM 1728 Nl ϋ 83 11.048 -7.742 -6.236 1.00 44.17 7

ATOM 1729 C6 U 83 10.918 -7.280 -4.950 1.00 43.88 6

ATOM 1730 C2 ϋ 83 10.851 -6.912 -7.315 1.00 44.35 6

ATOM 1731 02 U 83 10.966 -7.296 -8.465 1.00 43.85 8

ATOM 1732 N3 U 83 10.517 -5.616 -7.000 1.00 44.42 7

ATOM 1733 C4 U 83 10.367 -5.084 -5.734 1.00 44 .99 6

ATOM 1734 04 ϋ 83 10.064 -3.892 -5.605 1.00 44.70 8

ATOM 1735 C5 U 83 10.592 -6-015 -4.667 1.00 44.40 6

ATOM 1736 C2* D 83 12.905 -9.322 -6.759 1.00 45.88 6

ATOM 1737 02* ϋ 83 13.120 -10.318 -7.740 1.00 44.56 8

ATOM 1738 C3* U 83 13.368 -9.746 -5.371 1.00 46.02 6

ATOM 1739 O3* U 83 14.599 -10.448 -5.417 1.00 46.27 8

ATOM 1740 P G 84 15.977 -9.628 -5.450 1.00 46.13 15

ATOM 1741 OIP G 84 15.973 -8.649 -4.333 1.00 44.58 8

ATOM 1742 O2P G 84 17.065 -10.637 -5.537 1.00 46.28 8

ATOM 1743 05* G 84 15.907 -8.846 -6.838 1.00 45.53 8

ATOM 1744 C5* G 84 16.089 -9.548 -8.063 1.00 45.64 6

ATOM 1745 C4* G 84 16.150 -8.587 -9.224 1.00 46.00 6

ATOM 1746 O4* G 84 14.836 -8.024 -9.469 1.00 47.33 8

ATOM 1747 Cl* G 84 14.968 -6.693 -9.949 1.00 46.62 6

ATOM 1748 N9 G 84 14.319 -5.813 -8.986 1.00 45.35 7

ATOM 1749 C4 G 84 13.861 -4.529 -9.202 1.00 44.07 6

ATOM 1750 N3 G 84 13.896 -3.852 -10.373 1.00 42.87 7

ATOM 1751 C2 G 84 13.395 -2.628 -10.249 1.00 42.70 6

ATOM 1752 N2 G 84 13.337 -1.804 -11.307 1.00 42.41 7

ATOM 1753 Nl G 84 12.910 -2.116 -9.078 1.00 42.75 7

ATOM 1754 C6 G 84 12.864 -2.794 -7. 866 1..00 43.06 6

ATOM 1755 O6 G 84 12.403 -2.233 -6.866 1..00 43.32 8

ATOM 1756 C5 G 84 13.389 -4.104 -7, 980 1..00 43.41 6

ATOM 1757 N7 G 84 13.525 -5.103 -7.024 1.00 43.99 7

ATOM 1758 C8 G 84 14.073 -6.096 -7 666 1.00 43.93 6

ATOM 1759 C2* G ^• 84 16.470 6.403 -10.064 1.00 46.74 6

ATOM 1760 02* G 84 16.923 6.648 -11.383 1.00 46.84 8

ATOM 1761 C3* G 84 17.047 -7 376 -9.041 1.00 46.01 6

ATOM 1762 O3* G 84 18.401 -7 708 -9.322 1.00 44.67 8

ATOM 1763 P C 85 19.586 6.885 -8.615 1.00 43.82 15

ATOM 1764 OIP C 85 19.257 6.707 -7.180 1.00 43.57 8

ATOM 1765 02P C 85 20.858 -7 553 -8.998 1.00 44.18 8

ATOM 1766 05* C 85 19.533 5.456 -9.324 1.00 42.47 8

ATOM 1767 C5* C 85 19.872 5.327 -10.703 1.00 39.46 6

ATOM 1768 C4* ■ C 85 19.463 3.975 -11.236 1.00 37.30 6

ATOM 1769 O4* C 85 18.022 -3.824 -11.122 r.OO 36.67 8

ATOM 1770 Cl* C 85 17.709 -2.454 -10.920 1.00 35.48 6

ATOM 1771 Nl C 85 17.091 -2.302 -9.599 1.00 34.^'56 7 ATOM 1772 C6 C 85 17.267 -3.244 -8.624 1.00 33.62 6

ATOM 1773 C2 C 85 16.330 -1.157 -9.345 1-.00 35.18 6

ATOM 1774 O2 C 85 16.173 -0.324 -10.259 1.00 34.36 8

ATOM 1775 N3 C 85 15.785 -0.986 -8.115 1.00 33.49 7

ATOM 1776 C4 C 85 15.977 -1 906 - -77..168 1.00 32.10 6

ATOM ,1777 N4 C 85 15.435 -1 692 -5.972 1.00 33.88 • 7

ATOM 1778 C5 C 85 16.736 -3. ,086 -7.407 1.00 31.70 6

ATOM 1779 C2* C 85 19.028 -1..685 -10.994 1.00 35.64 6

ATOM 1780 O2* C 85 19.257 -1.315 -12.338 1. 00 35.69 8

ATOM 1781 C3* C 85 20.012 -2.745 -10.524 1.00 35.57 6

ATOM 1782 O3* C 85 21.336 -2.435 -10.956 1.00 34.15 8

ATOM 1783 P G 86 22.380 -1.754 -9.932 1.00 32.46 15

ATOM 1784 O1P G 86 22.331 -2.512 -8.665 1.00 33.11 8

ATOM 1785 O2P G 86 23.679 -1.582 -10.626 1.00 33.66 8

ATOM 1786 O5* G 86 21.781 -0.304 -9.682 1, 00 32.30 8

ATOM 1787 C5* G 86 21.678 0.615 • -10.754 1.00 32.11 6

ATOM 1788 C4* . G 86 20.933 1.848 -10.319 1.00 32.91 6

ATOM 1789 04* G 86 19.555 1.514 -10.010 1.00 33.00 8

ATOM 1790 Cl* G 86 19.067 2.414 -9.031 1. do 32.55 6

ATOM 1791 N9 G 86 18.658 1.645 -7.863 1. 00 32.99 7

ATOM 1792 C4 G 86 17.986 2.132 -6.769 1.00 32.47 6

ATOM 1793 N3 G 86 17.600 3.412 -6.585 1.00 32.75 7

ATOM 1794 C2 G 86 16.967 3.577 -5.435 1.00 33.07 6

ATOM 1795 N2 G 86 16.525 4.791 -5.094 1.00 32.51 7

ATOM 1796 Nl G 86 16.727 2.561 -4 540 1.00 33.29 7

ATOM 1797 C6 G 86 17.117 1.233 -4.713 1.00 33.50 6

ATOM 1798 06 G 86 16.852 0.389 -3.845 1.00 33.96 8

ATOM 1799 C5 G 86 17.801 1.048 -5.940 1, 00 31.89 6

ATOM 1800 N7 G 86 18.354 -0.096 -6.496 1, 00 32.20 7

ATOM 1801 C8 G 86 18.853 0.305 -7.634 1, 00 32.65 6

ATOM 1802 C2* G 86 20.205 3.380 -8.710 1, 00 32.82 6

ATOM 1803 O2* G 86 20.108 4.509 -9.556 1.00 31.77 . 8

ATOM 1804 C3* G 86 21.409 2.517 -9.044 1.00 32.66 6

ATOM 1805 03* G 86 22.561 3.311 -9.267 1, 00 34.11 8

ATOM 1806 P A 87 23.532 3.652 -8.037 1.00 34.50 15

ATOM 1807 O1P A 87 23.669 2.413 -7.232 1.00 34.81 8

ATOM 1808 O2P A 87 24.740 4.328 -8.558 1.00 33.21 8

ATOM 1809 05* A 87 22.696 4.688 -7.164 1.00 35.12 8

ATOM 1810 C5* A 87 22.450 6.014 -7.622 1.00 34.91 6

ATOM 1811 C4* A 87 21.744 6.812 -6.548 1.00 35.13 6

ATOM 1812 04* A 87 20.471 6.183 -6.252 1. 00 34.37 8

ATOM 1813 Cl* A 87 20.177 6.326 -4.873 1, 00 34.51 6

ATOM 1814 N9 A 87 20.099 4 , 990 -4.290 1.00 34.82 7

ATOM 1815 C4 A 87 19.340 4 , 627 -3.204 1, 00 35.40 6

ATOM 1816 N3 A 87 18.541 5, ,420 -2.469 1', 00 35.85 7

ATOM 1817 C2 A 87 17.956 4.722 -1.499 1, 00 36.40 6

ATOM • 1818 Nl A 87 18.072 3.420 -1.202 1, 00 36.27 7

ATOM 1819 C6 A 87 18.887 2.654 -1.959 1, 00 34.83 6

ATOM 1820 N6 A 87 19.008 1.362 -1.656 1.00 35.23 7

ATOM 1821 C5 A 87 19.563 3..273 -3.022 1.00 34.79 6

ATOM 1822 N7 A 87 20.455 2..790 -3.970 1.00 34.98 7

ATOM 1823 C8 A 87 20.745 3..846 -4.695 1, 00 35.22 6

ATOM 1824 C2* A 87 21.291 7. ,173 -4.258 1.00 34.86 6

ATOM 1825 02* A 87 20.945 8.544 -4.286 1.00 34.03 8

ATOM 1826 C3* A 87 22.442 6.860 -5.197 1.00 35.46 6

ATOM 1827 O3* A 87 23.418 7.887 -5.161 1.00 36.62 8

ATOM 1828 P C 88 24.627- 7.799 -4.108 1, 00 37.91 15

ATOM 1829 O1P C 88 25.265 6.458 -4.207 1.00 37.85 8

ATOM 1830 02P C •88 25.448 9.024 -4.308 1.00 38.11 8 ATOM 1831 O5* C 88 23.906 7.891 -2.692 1.00 36.34 8

ATOM 1832 C5* C 88 23.244 9.084 -2.306 1.00 34.75 6

ATOM 1833 C4* C 88 22.594 8.905 -0.966 1.00 34.05 6

ATOM 1834 O4* C 88 21.543 7.911 -1.059 1.00 34.29 8

ATOM 1835 Cl* C 88 21.411 7.251 0.189 1.00 34.75 6

ATOM 1836 Nl C 88 21.568 5.807 -0.025 1.00 35.44 7

ATOM 1837 C6 C 88 22.250 5.324 -1.107 1.00 35.90 6

ATOM 1838 C2 C 88 21.006 4.929 0.902 1.00 36.05 6

ATOM 1839 02 C 88 20.399 5.395 1.873 1.00 37.56 8

ATOM 1840 N3 C 88 21.139 3.595 0.719 1.00 36.38 7

ATOM 1841 C4 c - 88 21.805 3.131 -0.340 1.00 35.46 6

ATOM 1842 N4 C 88 21.905 1.810 -0.481 1.00 35.50 7

ATOM 1843 C5 C 88 22.393 4.003 -1.301 1.00 35.27 6

ATOM 1844 C2* C 88 22.479 7.830 1, .121 1.00 34.15 6

ATOM 1845 02* C 88 21.909 8.867 1..890 1.00 34.33 8

ATOM 1846 C3* C 88 23.494 8.354 0.119 1.00 33.59 6

ATOM 1847 O3* C 88 24.300 9.377 0.670 1.00 31.97 8

ATOM 1848 P C 89 25.542 8.982 1..598 1.00 32.51 15

ATOM 1849 O1P C 89 26.091 7.700 1, .076 1.00 31.86 8

ATOM 1850 O2P C 89 26.425 10.176 1.686 1.00 30.84 8

ATOM 1851 O5* C 89 24.854 8.709 3.016 1.00 31.32 8

ATOM 1852 C5* C 89 25.357 7.729 3.928 1.00 29.41 6

ATOM 1853 C4* C 89 24.213 7.123 4.710 1.00 29.28 6

ATOM 1854 O4* C 89 23.312 6.491 3.766 1.00 29.40 8

ATOM 1855 Cl* C 89 22.753 5.325 4.347 1 1.,00 28:64 6

ATOM 1856 Nl C 89 23.170 4.166 3.542 1. 00 27.24 7

ATOM 1857 C6 C 89 24.090 4.303 2.543 1.00 25.29 6

ATOM 1858 C2 C 89 22.602 2.918 3.811 1.00 27.54 6

ATOM 1859 02 C 89 21.784 2.819 4..728 1.00 29.44 8

ATOM 1860 N3 C 89 22.960 1.853 3. ,065 1.00 26.44 7

ATOM 1861 C4 C 89 23.856 2.000 2.088 1.00 25.92 6

ATOM 1862 N4 C 89 24.181 0.921 1.375 1.00 27.20 7

ATOM 1863 C5 C 89 24.457 3.256 1.799 1.00 24.09 6

ATOM 1864 C2* C 89 23.224 5.273 5.801 1.00 28.96 6

ATOM 1865 O2* C 89 22.295 5.958 6.618 1.00 27.91 8

ATOM 1866 C3* C 89 24.544 6.022 5.717 1.00 29.46 6

ATOM 1867 O3* C 89 24.855 6.562 7.002 1 1.,00 30.44 8

ATOM 1868 P G 90 25.968 5.852 7.927 11.,00 30.92 15

ATOM 1869 O1P G 90 27.017 5.329 7.012 1, 00 31.38 8

ATOM 1870 02P G 90 26.344 6.812 8.987 1.00 30.68 8

ATOM 1871 O5* G 90 25.238 4.590 8.589 1.00 30.27 8

ATOM 1872 C5* G 90 24.143 4.735 9.492 1.00 29.31 6

ATOM 1873 C4* G 90 23.714 3.379 10.026 1. 00 30.69 6

ATOM 1874 04* G 90 23.449 2.486 8.910 1.00 30.85 8

ATOM 1875 Cl* G 90 24.404 1.449 8.876 1.00 29.74 6

ATOM 1876 N9 G 90 24.743 1.115 7.497 1.00 27.26 7

ATOM 1877 C4 G 90 24.688 -0.142 6.936 1.00 26.34 6

ATOM 1878 N3 G 90 24.332 -1.282 7.569 1.00 25.77 7

ATOM 1879 C2 G 90 24.359 -2.330 6.756 1.00 26.84 6

ATOM 1880 N2 G 90 24.036 -3.539 7.212 1.00 27.27 7

ATOM 1881 Nl G 90 24.708 -2.269 5.429 1, 00 27.23 7

ATOM 1882 Cβ G 90 25.084 -1.111 4.755 1.00 26.50 6

ATOM 1883 06 G 90 25.387 -1.169 3.556 1.00 23.95 8

ATOM . 1884 C5 G ' 90 25.057 0.030 5.620 1.00 26.56 6

ATOM 1885 N7 G 90 25.346 1.362 5.361 1.00 27.68 7

ATOM 1886 C8 G 90 25.151 1.965 6.504 1.00 28.64 6

ATOM 1887 C2* G 90 25.527 1.753 9.860 1.00 31.03 6

ATOM 1888 02* G 90 25.845 0.527 10.488 1.00 32.62 8

ATOM 1889 C3* G 90 24.836 2.719 10.824^' 1.00 31.91 6 ATOM 1890 03* G 90 24.423 2.063 12.031 1.00 34.28

ATOM 1891 P U 91 23.663 2.864 13.194 1.00 34.84 15

ATOM 1892 O1P U 91 24.500 2.693 14.398 1. 00 36.66 8

ATOM 1893 O2P U 91 23.329 4.231 12.733 1.00 36.25 8

ATOM 1894 05* U 91 22.323 2.020 13.409 1.00 35.08 8

ATOM 1895 C5* U 91 21.069 2.505 12.934 1.00 37.51 6

ATOM 1896 C4* U 91 19.981 1.451 13.063 1.00 39.15 6

ATOM 1897 04* U 91 20.210 0.374 12.120 1.00 39-48 8

ATOM 1898 Cl* U 91 20.509 ^•0.817 12.808 1.00 40.17 6

ATOM 1899 Nl U 91 21.502 1.592 12.054 1.00 40.66 7

ATOM 1900 C6 U 91 22.695 1.049 11.643 1.00 41.34 6

ATOM 1901 C2 U 91 21.172 ^•2.911 11.753 1.00 41.12 6

ATOM 1902 O2 U 91 20.132 3.435 12.114 1, 00 38.38 8

ATOM 1903 N3 U 91 22.105 ^■3.588 11.010 1.00 42.00 7

ATOM 1904 C4 O 91 23.311 ^•3.100 10.553 1.00 43.11 6

ATOM 1905 04 U 91 24.038 -3.830 9.882 1.00 45.46 8

ATOM 1906 C5 U 91 23.588 -1.738 10.921 1.00 42.13 6

ATOM 1907 C2* U 91 20.718 0.522 14.293 1, 00 40-07 6

ATOM 1908 02* U 91 20.126 1.581 15.015 1.00 40.16 8

ATOM 1909 C3* U 91 19.962 0.801 14.445 1.00 40-25 6

ATOM 1910 O3* U 91 18.634 0.708 14.966 1.00 41.78 8

ATOM 1911 P U 92 18.250 1.387 16.373 1.00 43-27 15

ATOM 1912 O1P U 92 16.937 0.767 16.697 1.00 42.49 8

ATOM 1913 O2P U 92 19.385 1.259 17.336 1.00 41.58 8

ATOM 1914 O5* U 92 17.982 2.924 16.013 1, 00 42.57 8

ATOM 1915 C5* ϋ 92 16.818 3.299 15.273 1.00 43.16 6

ATOM 1916 C4* U 92 16.733 4.803 15.096 1.00 44.02 6

ATOM 1917 O4* U 92 16.836 5.433 16.396 1.00 45.94 8

ATOM 1918 Cl* U 92 18.044 6.157 16.499 1.00 47.17 6

ATOM 1919 Nl U 92 18.684 5.862 17.784 00 49.94 7

ATOM 1920 C6 U 92 18.736 4.583 18.292 00 51.39 6

ATOM 1921 C2 U 92 19.238 6.935 18.471 00 51.44 6

ATOM ^•1922 O2 U 92 19.208 8.080 18.046 00 49.84 8

ATOM 1923 N3 U 92 19.823 6.616 19.672 00 53.71 7

ATOM 1924 C4 ϋ 92 19.906 5.356 20.247 00 55.72 6

ATOM 1925 O4 U 92 20.444 5.228 21.352 00 57.83 8

ATOM 1926 C5 U 92 19.310 4.298 19.468 00 54.22 6

ATOM 1927 C2* U 92 18.898 5.928 15.254 1.00 46-05 6

ATOM 1928 O2* U 92 19.373 7.200 14.859 1.00 45-52 8

ATOM 1929 C3* U 92 17.874 5.379 14.263 1.00 44.44 6

ATOM 1930 03* U 92 17.470 6.290 13.246 1.00 42.93 8

ATOM 1931 P A 93 16.951 5.745 11.834 1. 00 41.92 15

ATOM 1932 O1P A 93 16.003 4.638 12.116 1.00 42.69 8

ATOM 1933 O2P A 93 16.506 6.912 11.030 1.00 41.28 8

ATOM 1934 O5* A 93 18.240 5.116 11.145 1.00 41.60 8

ATOM 1935 C5* A 93 19.264 5.938 10.595 1.00 39.11 6

ATOM^' 1936 C4* A 93 19.939 5.216 9.459 1.00 37.60 6

ATOM 1937 04* A 93 20.343 3.909 9.938 1.00 36.87 8

ATOM 1938 Cl* A 93 20.182 2.953 8.906 1.00 35.66 6

ATOM 1939 N9 A 93 19.295 1.894 9.385 1.00 33.10 7

ATOM 1940 C4 A 93 19.517 0.546 9.237 1.00 31.24 6

ATOM 1941 N3 A 93 20.569 0.046 8.644 1.00 30.16 7

ATOM 1942 C2 A 93 20.454 -1 370 8.695 1.00 28.79 6

ATOM 1943 Nl A 93 19.481 2.116 9.228 1.00 27,70 7

ATOM 1944 C6 A 93 18.437 1.494 9.811 1.00 27,87 6

ATOM 1945 N6 A 93 17.468 2.246 10.328 1.00 25,99 7

ATOM 1946 C5 A. 93 18.440 0.082 9.829 1.00 29,48 6

ATOM 1947 N7 A 93 17.553 0.854 10.341 1.00 29,71 7

ATOM 1948 C8 A 93 18.106 2.006 10.053 1.00 30.27 6 ATOM 1949 C2* A 93 19.678 3.682 7.659 1.00 35.92 6

ATOM 1950 02* A 93 20.776 3.991 6.833 1.00 34.62 8

ATOM 1951 C3* A 93 19.044 4.928 8.262 1.00 37.25 6

ATOM 1952 03* A 93 19.120 6.012 7.343 1.00 38.86 8

ATOM 1953 P G 94 17.777 6.618 6.710 1.00 40.44 15

ATOM 1954 O1P G 94 17.153 5.535 5.895 1.00 39.55 8

ATOM 1955 O2P G 94 17.005 7.252 7.818 1.00 40.49 8

ATOM 1956 O5* G 94 18.287 7.784 5.744 1.00 40.35 8

ATOM 1957 C5* G 94 19.166 7.495 4.671 1.00 41.10 6

ATOM 1958 C4* G 94 19.623 8.761 3.971 1.00 41.71 6

ATOM 1959 04* G 94 18.515 9.354 3.230 1.00 42.08 8

ATOM 1960 Cl* G 94 18.218 10.614 3.779 1.00 41.58 6

ATOM 1961 N9 G 94 16.837 11.024 3.558 1.00 41.18 7

ATOM 1962 C4 G 94 16.380 11.656 2.425 1.00 41.23 6

ATOM 1963 N3 G 94 17.111 11.925 1.320 1.00 40.25 7

ATOM 1964 C2 G 94 16.413 12.581 0.413 1.00 39.62 6

ATOM 1965 N2 G 94 16.987 12.933 -0.737 1.00 39.09 7

ATOM 1966 Nl G 94 15.099 12.942 0.570 1.00 40.96 7

ATOM 1967 C6 G 94 14.325 12.676 1.696 1.00 41.79 6

ATOM 1968 06 G 94 13.148 13.054 1.735 1.00 43.73 8

ATOM 1969 C5 G 94 15.067 11.970 2.685 1.00 41.51 6

ATOM 1970 N7 G 94 14.693 11.514 3.942 1.00 42.05 7

ATOM 1971 C8 G 94 15.771 10.947 4.417 1.00 41.32 6

ATOM 1972 C2* G 94 18.908 10.806 5.118 1.00 41.10 6

ATOM 1973 02* G 94 19.316 12.152 5.117 1.00 42.24 8

ATOM 1974 C3* G 94 20.076 9.833 4.974 1.00 41.53 6

ATOM 1975 03* G 94 21.349 10.392 4.650 1.00 41.49 8

ATOM 1976 P A 95 22.100 11.380 5.676 1.00 42.04 15

ATOM 1977 01P A 95 21.133 12.269 6.372 1.00 40.43 8

ATOM 1978 O2P A 95 23.025 10.536 6.479 1.00 42.64 8

ATOM 1979 05* A 95 22.991 12.275 4.707 1.00 41.34 8

ATOM 1980 C5* A 95 24.056 11.694 3.966 1.00 41.60 6

ATOM 1981 C4* A 95 24.023 12.167 2.531 1.00 42.30 6

ATOM 1982 04* A 95 22.750 11.803 1.940 1.00 43.12 8

ATOM 1983 Cl* A 95 22.404 12.749 0.943 1.00 43.20 6

ATOM 1984 N9 A 95 21.124 13.353 1.290 1.00 43.21 7

ATOM 1985 C4 A 95 20.410 14.197 0.481 1.00 44.13 6

ATOM 1986 N3 A 95 20.740 14.605 -0.756 1.00 44.72 7

ATOM 1987 C2 A 95 19.811 15.427 -1.239 1.00 45.95 6

ATOM 1988 Nl A 95 18.675 15.854 -0.668 1.00 45.86 7

ATOM 1989 C6 A 95 18.376 15.423 0.578 1.00 45.66 6

ATOM 1990 N6 A 95 17.245 15.848 1.149 1.00 45.91 7

ATOM 1991 C5 A 95 19.284 14.547 1.200 1.00 45.31 6

ATOM 1992 N7 A 95 19.287 13.931 2.444 1.00 45.18 7

ATOM 1993 C8 A 95 20.396 13.232 2.444 1.00 44.41 6

ATOM 1994 C2* A 95 23-512 13.797 0.908 1.00 42.91 6

ATOM 1995 02* A 95 24.429 13.453 -0.104 1.00 44.31 8

ATOM 1996 C3* A 95 24.084 13.667 2.309 1.00 42.46 6

ATOM 1997 03* A 95 25.413 14.155 2.366 1.00 42.43 8

ATOM 1998 P G 96 25.736 15.452 3.254 1.00 43.78 15

ATOM 1999 O1P G 96 27.190 15.750 3.120 1.00 43.28 8

ATOM 2000 02P G 96 25.159 15.217 4.604 1.00 42.12 8

ATOM 2001 05* G 96 24.904 16.613 2.542 1.00 43.14 8

ATOM 2002 C5* G 96 25.153 16.977 1.184 1.00 43.42 6

ATOM 2003 C4* G 96 24.101 17.951 0.701 1.00 44.63 6

ATOM 2004 04* G 96 22.831 17.262 0.511 1.00 44.83 8

ATOM 2005 Cl* G 96 21.761 18.103 0.922 1.00 44.96 6

ATOM 2006 N9 G 96 21.194 17.546 2.148 1.00 44.43 7

ATOM 2007 C4 G 96 19.996 17.886 2.731 1.00 44.62 6 ATOM 2008 N3 G 96 19.092 18.757 2.237 1..00 45.39 7

ATOM 2009 C2 G 96 18.048 18.898 3.044 1..00 45.47 6

ATOM 2010 N2 . G 96 17.049 19.722 2.708 1..00 45.94 7

ATOM 2011 Nl G 96 17.907 18.241 4.240 1..00 45.07 7

ATOM 2012 C6 G ' 96 18.823 17.340 4.770 1..00 44.78 6

ATOM 2013 06 G 96 18.599 16.807 - 5.866 1..00 44.34 8

ATOM 2014 C5 G 96 19.946 17.172 3.911 1..00 44.64 6

ATOM 2015 N7 G 96 21.073 16.373 4.051 1..00 44.59 7

ATOM 2016 C8 G 96 21.777 16.618 2.979 1..00 44.93 6

ATOM 2017 C2* G 96 22.379 19.479 1.195 1, .00 45.32 6

ATOM 2018 02* G 96 22.432 20.268 0.021 1.00 45.17 8

ATOM 2019 C3* G 96 23.766 19.079 1.663 1.00 45.31 6

ATOM 2020 O3* G 96 24.682 20.161 1.588 1.00 46.70 8

ATOM 2021 P G 97 24.843 21.145 2.848 1.00 47.92 15

ATOM 2022 oip G 97 25.842 22.184 2.493 1.00 47.98 8

ATOM 2023 O2P G 97 25.032 20.334 4.075 .00 47.54 8

ATOM 2024 O5* G 97 23.422 21.853 2.942 .00 49.92 8

ATOM 2025 C5* G 97 22.970 22.700 1.890 .00 51.85 6

ATOM 2026 C4* G 97 21.718 23.428 2.306 .00 52.57 6

ATOM 2027 04* G 97 20.591 22.510 2.316 .00 53.04 8

ATOM 2028 Cl* G 97 19.672 22.909 3.324 .00 54.53 6

ATOM 2029 N9 G 97 19.574 21.852 4.326 .00 55.95 7

ATOM 2030 C4 G 97 18.592 21.736 5.281 .00 56.54 6

ATOM 2031 N3 G 97 17.531 22.558 5.430 .00 57.33 7

ATOM 2032 C2 G 97 16.764 22.198 6.448 .00 56.86 6

ATOM 2033 N2 G 97 15.661 22.904 6.731 .00 55.68 7

ATOM 2034 Nl G 97 17.023 21.118 7..258 .00 56.29 7

ATOM 2035 C6 G 97 18.111 20.260 7 , .124 .00 56.37 6

ATOM 2036 O6 G 97 18.252 19.317 7, .909 .00 57.40 8

ATOM 2037 C5 G 97 18.940 20.633 6.033 .00 56.35 6

ATOM 2038 N7 G 97 20.108 20.056 5.552 .00 55.71 7

ATOM 2039 C8 G 97 20.443 20.806 4, .536 .00 56.07 6

ATOM 2040 C2* G 97 20.233 24.190 3..946 .00 54.07 6

ATOM 2041 O2* G 97 19.748 25.306 3.235 .00 55.81 8

ATOM 2042 C3* G 97 21.721 23.999 3.715 .00 52.80 6

ATOM 2043 03* G 97 22.424 25.232 3.802 .00 52.26 8

ATOM 2044 P A 98 22.908 25.772 5.239 .00 52.26 15

ATOM 2045 OIP A 98 23.743 26.982 5.015 .00 51.76 8

ATOM 2046 O2P A 98 23.451 24.636 6.016 .00 52.43 8

ATOM 2047 O5* A 98 21.564 26.240 5.948 .00 52.20 8

ATOM 2048 C5* A 98 20.773 27.273 5.371 .00 51.45 6

ATOM 2049 C4* A 98 19.510 27.466 6.165 .00 50.15 6

ATOM 2050 04* A 98 18.741 26.236 6.136 .00 49.14 8

ATOM 2051 Cl* A 98 18.060 26.078 7.366 .00 48.54 6

ATOM 2052 N9 A 98 18.548 24.857 8.001 .00 47.80 7

ATOM 2053 C4 A 98 17.928 24.181 9.024 .00 46.52 6

ATOM 2054 N3 A 98 16.754 24.482 9.605 .00 45.29 7

ATOM 2055 C2 A 98 16.483 23.623 10.583 .00 45.18 6

ATOM 2056 Nl A 98 17.197 22.576 11.017 1, .00 44.05 7

ATOM 2057 C6 A 98 18.371 22.299 10.414 1, .00 44.08 6

ATOM 2058 N6 A 98 19.081 21.260 10.857 1, 00 42.34 7

ATOM 2059 C5 A 98 18.773 23.135 9.353 1.00 45.17 6

ATOM 2060 • N7 A 98 19.894 23.136 8.532 1.00 45.84 7

ATOM 2061 C8 A 98 19.708 24.169 7.744 1.00 47.21 6

ATOM 2062 C2* A 98 18.363 27.320 8.213 1.00 48.79 6

ATOM 2063 O2* A 98 17.373 28.310 8.012 1.00 48.37 8

ATOM 2064 C3* A 98 19.707 27.743 .645 1.00 49.34 6

ATOM 2065 03* A 98 19.959 29.127 .867 1.00 49.25 8

ATOM 2066 P C 99 20.693 29.601 9.219 1.00 49.10 15 ATOM 2067 O1P C 99 20.861 31.073 9.109 1.00 49.31 8

ATOM 2068 O2P C 99 21.879 28.745 9.463 1.00 49.59 8

ATOM 2069 05* C 99 19.643 29.305 10.379 1.00 47.97 8

ATOM 2070 C5* C 99 18.502 30.130 10.556 1.00 47.12 6

ATOM 2071 C4* C 99 17.684 29.629 11.711 1.00 46.73 6

ATOM 2072 O4* C 99 17.250 28.276 11.420 1.00 46.67 8

ATOM 2073 Cl* C 99 17.251 27.509 12.613 1.00 46.89 6

ATOM 2074 Nl C 99 18.223 26.414 12.465 1.00 47.04 7

ATOM 2075 C6 C 99 19.140 26.409 11.448 1.00 46.20 6

ATOM 2076 C2 C 99 18.203 25.380 13.400 1.00 46.61 6

ATOM 2077 02 C 99 17.359 25.413 14.301 1.00 47.04 8

ATOM 2078 N3 C 99 19.104 24.377 13.302 1.00 46.87 7

ATOM 2079 C4 C 99 20.002 24.385 12.315 1.00 45.91 6

ATOM 2080 N4 C 99 20.875 23.378 12.263 1.00 45.28 7

ATOM 2081 C5 C 99 20.042 25.426 11.339 1.00 45.13 6

ATOM 2082 C2* C 99 17.635 28.448 13.756 1.00 46.99 6

ATOM 2083 O2* C 99 16.480 28.979 14.365 1.00 46.88 8

ATOM 2084 C3* C 99 18.446 29.497 13.015 1.00 47.05 6

ATOM 2085 O3* C 99 18.451 30.723 13.719 1.00 47.83 8

ATOM 2086 P ϋ 100 19.632 31.037 14.755 1.00 48.70 15

ATOM 2087 OlP U 100 20.904 30.687 14.077 1.00 48.80 8

ATOM 2088 O2P U 100 19.422 32.419 15.253 1.00 49.73 8

ATOM 2089 O5* U 100 19.377 30.034 15.967 1.00 47.68 8

ATOM 2090 C5* U 100 18.254 30.213 16.818 1.00 48.89 6

ATOM 2091 C4* U 100 18.077 29.022 17.726 1.00 49.41 6

ATOM 2092 04* U 100 17.928 27.820 16.924 1.00 49.49 8

ATOM 2093 Cl* D 100 18.528 26.725 17.595 1.00 49.91 6

ATOM 2094 Nl U 100 19.609 26.203 16.748 1.00 50.67 7

ATOM 2095 C6 U 100 20.028 26.884 15.631 1.00 50.82 6

ATOM 2096 C2 U 100 20.200 25.005 17.116 1.00 51.30 6

ATOM 2097 02 U 100 19.857 24.369 18.098 1.00 51.63 8

ATOM 2098 N3 U 100 21.210 24.581 16.289 1.00 50.88 7

ATOM 2099 C4 U 100 21.676 25.216 15.163 1.00 51.06 6

ATOM 2100 O4 U 100 22.589 24.707 14.522 1.00 52.93 8

ATOM 2101 C5 U 100 21.014 26.444 14.847 1.00 50.71 6

ATOM 2102 C2* U 100 19.037 27.241 18.944 1.00 49.70 6

ATOM 2103 O2* U 100 18.079 27.016 19.956 1.00 48.03 8

ATOM 2104 C3* U 100 19.244 28.719 18.645 1.00 49.75 6

ATOM 2105 03* U 100 19.152 29.486 19.832 1.00 50.66 8

ATOM 2106 P G 101 20.481 29.815 20.677 1.00 52.95 15

ATOM 2107 O1P G 101 21.423 30.521 19.765 1.00 52.02 8

ATOM 2108 O2P G 101 20.038 30.473 21.937 1.00 52.09 8

ATOM 2109 O5* G 101 21.109 28.390 21.044 1.00 52.96 8

ATOM 2110 C5* G 101 20.484 27.545 22.011 1.00 52.49 6

ATOM 2111 C4* G 101 21.091 26.151 22.010 1.00 51.96 6

ATOM 2112 O4* G 101 21.128 25.620 20.659 1.00 52.18 8

ATOM 2113 Cl* G 101 22.060 24.548 20.616 1.00 51.12 6

ATOM 2114 N9 G 101 22.937 24.680 19.455 1.00 49.31 7

ATOM 2115 C4 G 101 23.787 23.705 18.990 1.00 47.42 6

ATOM 2116 N3 G 101 23.960 22.484 19.538 1.00 45.22 7

ATOM 2117 C2 G 101 24.840 21.761 18.870 1.00 43.90 6

ATOM 2118 N2 G 101 25.125 20.521 19.285 1.00 41.91 7

ATOM 2119 Nl G 101 25.502 22.199 17.748 1.00 44.20 7

ATOM 2120 C6 G 101 25.342 23.449 17.161 1.00 45.94 6

ATOM 2121 06 G 101 25.993 23.742 16.142 1.00 45.71 8

ATOM 2122 C5 G 101 24.393 24.243 17.877 1.00 46.70 6

ATOM 2123 N7 G 101 23.940 25.536 17.649 1.00 47.80 7

ATOM 2124 C8 G 101 23.082 25.754 18.611 1.00 48.88 6

ATOM 2125 C2* G 101 22.818 24.553 21.941 1.00 51.49 6 ATOM 2126 O2*. G 101 22.263 23.555 22.769 00 51.26 8

ATOM 2127 C3* G 101 22.531 25.956 22.461 00 51.76 6

ATOM 2128 03* G 101 22.664 25.946 23.877 00 53.01- 8

ATOM 2129 P G 102 24.104 26.229 24.545 00 55.14 15

ATOM 2130 O1P G 102 24.613 27.491 23.953 00 55.35 8

ATOM 2131 02P G 102 23.979 26.104 26.022 00 54.49 8

ATOM 2132 05* G 102 25.043 25.044 24.038 00 56.03 8

ATOM 2133 C5* G 102 24.759 23.702 24.404 00 57.21 6

ATOM 2134 C4* G 102 25.616 22.724 23.629 1.00 57.72 6

ATOM 2135 04* G 102 25.661 23.121 22.228 1.00 56.71 8

ATOM 2136 Cl* G 102 26.969 23.513 21.873 1.00 55.58 6

ATOM 2137 N9 G 102 26.935 24.685 21.010 1.00 52.94 7

ATOM 2138 C4 G 102 27.442 24.739 19.741 1.00 51.06 6

ATOM 2139 N3 G 102 28.036 23.720 19.086 1.00 48.94 7

ATOM 2140 C2 G 102 28.426 24.074 17.877 1.00 48.88 6

ATOM 2141 N2 G 102 29.033 23.181 17.081 1.00 47.82 7

ATOM 2142 Nl G 102 28.248 25.331 17.355 1.00 49.99 7

ATOM 2143 C6 G 102 27.636 26.394 18.013 00 50.06 6

ATOM 2144 O6 G 102 27.524 27.486 17.449 ,00 49.99 8

ATOM 2145 C5 G 102 27.212 26.026 19.309 .00 50.70 6

ATOM 2146 N7 G 102 26.564 26.766 20.286 00 51.65 7

ATOM 2147 C8 G 102 26.419 25.928 21.278 ,00 52.88 6

ATOM 2148 C2* G 102 27.858 23.575 23.107 ,00 57.03 6

ATOM 2149 O2* G 102 29.055 22.924 22.736 ,00 56.51 8

ATOM 2150 C3* G 102 27.065 22.731 24.097 ,00 58.86 6

ATOM 2151 O3* G 102 27.584 21.460 24.458 .00 63.58 8

ATOM 2152 P U 103 28.062 21.199 25.966 ,00 67.16 15

ATOM 2153 O1P U 103 28.961 20.008 25.952 ,00 67.05 8

ATOM 2154 O2P U 103 26.836 21.187 26.819 .00 67.33 8

ATOM 2155 O5* U 103 28.932 22.495 26.313 .00 66.26 8

ATOM 2156 C5* U 103 28.493 23.433 27.289 .00 64.22 6

ATOM 2157 C4* U 103 29.333 23.303 28.532 .00 62.83 6

ATOM 2158 O4* U 103 28.860 24.261 29.515 .00 63.96 8

ATOM 2159 Cl* U 103 28.190 23.604 30.579 .00 63.48 6

ATOM 2160 C2* U 103 28.214 22.092 30.354 .00 62.95 ^• 6

ATOM 2161 O2* U 103 28.661 21.490 31.554 .00 63.49 8

ATOM 2162 C3* U 103 29.211 21.950 29.208 .00 62.02 6

ATOM 2163 O3* U 103 30.339 21.088 29.218 1.00 59.68 8

ATOM 2164 P A 104 31.554 21.374 30.239 .00 59.37 15

ATOM 2165 O1P A 104 31.305 20.620 31.506 .00 57.77 8

ATOM 2166 O2P A 104 31.809 22.846 30.294 .00 59.00 8

ATOM 2167 O5* A 104 32.802 20.723 29.493 .00 52.00 8

ATOM 2168 C5* A 104 33.037 20.979 28.114 .00 40.12 6

ATOM 2169 C4* A 104 34.074 20.027 .27.594 .00 32.37 6

ATOM 2170 O4* A 104 34.313 20.273 26.190 .00 30.14 8

ATOM 2171 Cl* A 104 35.686 20.111 25.908 .00 27.49 6

ATOM 2172 N9 A 104 36.159 21.367 25.334 .00 26.00 7

ATOM 2173 C4 A 104 37.089 21.519 24.336 ,00 25.49 6

ATOM 2174 N3 A 104 37.798 20.555 23.726 .00 25.97 7

ATOM 2175 C2 A 104 38.583 21.074 22.785 .00 26.84 6

ATOM 2176 Nl A 104 38.725 22.352 22.410 1.00 26.03 7

ATOM 2177 C6 A 104 37.994 23.294 23.045 .00 25.47 6

ATOM 2178 N6 A 104 38.128 24.568 22.670 .00 27.27 7

ATOM 2179 C5 A 104 37.130 22.873 24.066 .00 24.98 6

ATOM 2180 N7 A 104 36.268 23.565 24.902 .00 24.43 7

ATOM 2181 C8 A 104 35.727 22.630 25.639 .00 24.55 6

ATOM 2182 C2* A 104 36.373 19.636 27.192 .00 27.17 6

ATOM 2183 O2* A ^• 104 36.394 18.226 27.175 .00 27.26 8

ATOM 2184 C3* A 104 35.426 20.167 28.261 1.00 28.12 6 ATOM 2185 03* A 104 35.401 19.357 29.428 1.00 23.46 8

ATOM 2186 P A 105 36.304 19.741 30.696 1.00 19.26 15

ATOM 2187 O1P A 105 35.695 19.162 31.910 1.00 20.48 8

ATOM 2188 O2P A 105 36.615 21.179 30.658 1.00 19.80 8

ATOM 2189 05* A 105 37.627 18.906 30.445 1.00 19.66 8

ATOM 2190 C5* A 105 38.883 19.501 30.606 1.00 20.53 6

ATOM 2191 C4* A 105 39.827 19.036 29.528 1.00 20.65 6

ATOM 2192 04* A 105 39.271 19.270 28.202 1.00 19.63 8

ATOM 2193 Cl* A 105 40.301 19.729 27.338 1.00 20.57 6

ATOM 2194 N9 A 105 39.986 21.102 26.944 1.00 20.58 7

ATOM 2195 C4 A 105 40.513 21.781 25.871 1.00 19.93 6

ATOM 2196 N3 A 105 41.364 21.309 24.948 1.00 18.10 7

ATOM 2197 C2 A 105 41.684 22.262 24.077 1.00 20.85 6

ATOM 2198 Nl A 105 41.280 23.540 24.027 1.00 21.14 7

ATOM 2199 C6 ^' A 105 40.421 23.980 24.972 1.00 20.79 6

ATOM 2200 N6 A 105 40.019 25.249 24.928 1.00 20.73 7

ATOM 2201 C5 A 105 40.004 23.066 25.950 1.00 19.91 6

ATOM 2202 N7 A 105 39.145 23.188 27.032 1.00 20.29 7

ATOM 2203 C8 A 105 39.159 21.996 27.582 1.00 20.73 6

ATOM 2204 C2* A 105 41.618 19.687 28.131 1.00 20.44 6

ATOM 2205 02* A 105 42.320 18.473 27.961 1.00 22.63 8

ATOM 2206 C3* A 105 41.111 19.841 29.551 1.00 20.35 6

ATOM 2207 O3* A 105 41.982 19-288 30.518 1.00 18.35 8

ATOM 2208 P A 106 42.696 20.245 31.581 1.00 17.86 15

ATOM 2209 O1P A 106 41.821 21.428 31.825 1.00 14.79 8

ATOM 2210 O2P A 106 43.109 19.370 32.720 1.00 16.85 8

ATOM 2211 05* A 106 44.000 20.697 30.789 1.00 17.99 8

ATOM 2212 C5* A 106 44.807 19.713 30.160 1.00 17.92 6

ATOM 2213 C4* A 106 45.429 20.252 28.904 1.00 18.90 6

ATOM 2214 O4* A 106 44.395 20.658 27.968 1.00 19.28 8

ATOM 2215 Cl* A 106 44.920 21.674 27.121 1.00 19.96 6

ATOM 2216 N9 A 106 44.070 22.862 27.183 1.00 19.50 7

ATOM 2217 C4 A 106 44.014 23.838 26.219 1.00 19.54 6

ATOM 2218 N3 A 106 44.693 23.875 25.059 1.00 20.62 7

ATOM 2219 C2 A 106 44.392 24.973 24.372 1.00 19.92 6

ATOM 2220 Nl A 106 43.554 25.966 24.687 1.00 21.16 7

ATOM 2221 C6 A 106 42.886 ^■ 25.902 25.863 1.00 20.26 6

ATOM 2222 N6 A 106 42.047 26.900 26.179 1.00 14.98 7

ATOM 2223 C5 A 106 43.120 24.778 26.685 1.00 19.48 6

ATOM 2224 N7 A 106 42.615 24.400 27.918 1.00 19.82 7

ATOM 2225 C8 A 106 43.208 23.259 28.167 1.00 19.82 6

ATOM 2226 C2* A 106 46.340 21.981 27.604 1.00 18.87 6

ATOM 2227 02* A 106 47.246 21.243 26.812 1.00 19.40 8

ATOM 2228 C3* A 106 46.268 21.509 29.050 1.00 18.57 6

ATOM 2229 03* A 106 47.558 21.220 29.575 1.00 18.95 8

ATOM 2230 P A 107 48.087 22.006 30.880 1.00 19.'44 15

ATOM 2231 O1P A 107 47.129 21.768 31.^'991 1.00 18.26 8

ATOM 2232 O2P A 107 49.500 21.617 31.048 1.00 19.66 8

ATOM 2233 05* A 107 48.035 23.550 30.461 1.00 18.63 8

ATOM 2234 C5* A 107 48.627 23.985 29.241 1.00 18.66 6

ATOM 2235 C4* A 107 48.116 25.356 28.830 1.00 19.47 6

ATOM 2236 04* A 107 46.708 25.323 28.467 1.00 20.24 8

ATOM 2237 Cl* A 107 46.151 26.618 28.636 1.00 19.43 6

ATOM 2238 N9 A 107 45.104 26.569 29.650 1.00 20.15 7

ATOM 2239 C4 A 107 44.199 27.575 29.868 1.00 20.20 6

ATOM 2240 N3 A 107 44.080 28.721 29.175 1.00 21.27 7

ATOM 2241 C2 A 107 43.127 29.484 29.692 1.00 20.01 6

ATOM 2242 Nl A 107 42.341 29.253 30.746 1.00 21.17 7

ATOM 2243 C6 A 107 42.486 28.090 31.425 ^■ l.oo 21.43 6 ATOM 2244 N6 A 107 41.704 27.866 32.490 1..00 20.30 7

ATOM 2245 C5 A 107 43.461 27.187 30.967 1..00 19.90 6

ATOM 2246 N7 A 107 43.867 25.938 31.417 1,.00 18.50 7

ATOM 2247 C8 A 107 44.835 25.611 30.596 .00 19.41 6

ATOM 2248 C2* A 107 47.278 27.516 29.136 .00 19.43 6

ATOM 2249 O2* A 107 47.897 28.109 28.012 .00 21.52 8

ATOM 2250 C3* A 107 48.185 26.501 29.821 .00 19.46 6

ATOM 2251 03* A 107 49.505 27.025 29.906 .00 20.25 8

ATOM 2252 P C 108 50.258 27.075 31.330 1.00 18.95 15

ATOM 2253 O1P C 108 50.508 25.675 31.738 1. 00 18.78 8

ATOM 2254 O2P C 108 51.396 28.012 31.208 1.00 19.61 8

ATOM 2255 05* C 108 49.197 27.707 32.336 1.00 11.11 8

ATOM 2256 C5* C 108 49.025 29.109 32.429 1.00 15.82 6

ATOM 2257 C4* C 108 47.986 29.437 33.473 1.00 16.81 6

ATOM 2258 04* C 108 46.714 28.845 33.102 1, 00 17.00 8

ATOM 2259 Cl* C 108 46.021 28.433 34.267 1.00 16.77 6

ATOM 2260 Nl C 108 45.872 26.978 34.207 1.00 17.20 7

ATOM 2261 C6 C 108 46.726 26.216 33.458 1.00 16.41 6

ATOM 2262 C2 C 108 44.822 26.385 34.910 1.00 19.17 6

ATOM 2263 02 C 108 44.082 27.113 35.611 1.00 18.42 8

ATOM 2264 N3 C 108 44.640 25.040 34.809 1.00 19.07 7

ATOM 2265 C4 C 108 45.471 24.309 34.054 1.00 18.38 6

ATOM 2266 N4 C 108 45.256 22.998 33.969 1.00 18.40 7

ATOM 2267 C5 C 108 46.563 24.894 33.352 00 16.76 6

ATOM 2268 C2* C 108 46.843 28.896 35.465 00 16.53 6

ATOM 2269 02* C 108 46.415 30.191 35.829 00 15.56 8

ATOM 2270 C3* C 108 48.241 28.900 34.869 00 16.06 6

ATOM 2271 O3* C 108 49.070 29.793 35.576 00 16.57 8

ATOM 2272 P C 109 50.099 29.226 36.659 1.00 16.90 15

ATOM 2273 O1P C 109 50.613 27.948 36.104 1.00 18.74 8

ATOM 2274 O2P C 109 51.050 30.318 36.982 1.00 17.97 8

ATOM 2275 05* C 109 49.188 28.907 37.930 1. .00 16.18 8

ATOM 2276 C5* C 109 48.480 29.938 38.612 1..00 16.52 6

ATOM 2277 C4* C 109 47.540 29.338 39.628 1..00 17.84 6

ATOM 2278 O4* C 109 46.454 28.659 38.946 1,.00 18.35 8

ATOM 2279 Cl* C 109 46.104 27.478 39.662 1..00 19.01 6

ATOM 2280 Nl C 109 46.422 26.309 38.827 1.00 18.79 7

ATOM 2281 C6 C 109 47.293 26.406 37.778 1.00 16.99 6

ATOM 2282 C2 C 109 45.816 25.085 39.129 1.00 20.04 6

ATOM 2283 O2 C 109 45.034 25.020 40.088 1.00 24.50 8

ATOM 2284 N3 C 109 46.096 24.005 38.371 1.00 19.31 7

ATOM 2285 C4 C 109 46.941 24.110 37.348 1.00 16.75 6

ATOM 2286 N4 C 109 47.173 23.016 36.625 1. .00 15.51 7

ATOM 2287 C5 C 109 47.579 25.343 37.021 1..00 15.41 6

ATOM 2288 C2* C 109 46.925 21.All 40.949 1..00 19.48 6

ATOM 2289 O2* C 109 46.197 28.114 41.973 1..00 18.77 8

ATOM 2290 C3* C 109 48.153 28.258 40.505 1..00 19.44 6

ATOM 2291 O3* C 109 48.862 28.814 41.598 1..00 21.15 8

ATOM 2292 P A 110 50.017 27.958 42.316 1.00 23.20 15

ATOM 2293 O1P A 110 50.899 27.325 41.295 1.00 21.40 8

ATOM 2294 O2P A 110 50.616 28.831 43.363 00 23.15 8

ATOM • 2295 O5* A 110 49.205 26.796 43.030 00 22.77 8

ATOM 2296 C5* A 110 48.440 27.050 44.200 00 21.77 6

ATOM 2297 C4* A 110 47.810 25.769 44.677 00 21.88 6

ATOM 2298 04* A 110 47.001 25.238 43.592 00 22.31 8

ATOM 2299 Cl* A 110 47.077 23.827 43.588 00 21.42 6

ATOM 2300 N9 A 110 47.669 23.392 42.328 00 22.00 7

ATOM 2301 C4 A 110 47.585 22.123 41.809 1.00 22.76 6

ATOM 2302 N3 A . 110 46.964 21.061 ^"42.353 1.00 23.49 7 ATOM 2303 C2 A 110 47.081 19.994 41.567 1.00 24.16 6

ATOM 2304 Nl A 110 47.697 19.875 40.387 1.00 24.76 7

ATOM 2305 C6 A 110 48.310 20.959 39.866 00 24.69 6

ATOM 2306 N6 A 110 48.915 20.838 38.681 00 24.73 7

ATOM 2307 C5 A 110 48.265 22.159 40.611 00 22.97 6

ATOM 2308 N7 A 110 48.784 23.426 40.383 00 22.70 7

ATOM 2309 C8 A 110 48.401 24.117 41.429 00 21.91 6

ATOM 2310 C2* A 110 47.911 23.423 44.797 00 20.74 6

ATOM 2311 O2* A 110 47.028 23.237 45.876 00 19.87 8

ATOM 2312 C3* A 110 48.792 24.648 44.962 00 21.28 6

ATOM 2313 O3* A 110 49.345 24.747 46.269 00 21.14 8

ATOM 2314 P C 111 50.806 24.147 46.545 00 21.75 15

ATOM 2315 O1P C 111 51.592 24.352 45.304 00 22.28

ATOM 2316 O2P C 111 51.337 24.634 47.840 1.00 22.64

ATOM 2317 O5* C 111 50.566 22.586 46.679 1. 00 20.93 8

ATOM 2318 C5* C 111 49.774 22.060 47.722 1.00 20.75 6

ATOM 2319 C4* C 111 49.540 20.597 47.482 1.00 21.42 6

ATOM 2320 04* C 111 48.755 20.440 46.270 1.00 21.68 8

ATOM 2321 Cl* C 111 49.175 19.280 45.570 1.00 21.21 6

ATOM 2322 Nl C 111 49.711 19.701 44.269 1.00 20.27 7

ATOM 2323 C6 C 111 50.097 20.993 44.057 1.00 19.82 6

ATOM 2324 C2 C 111 49.843 18.749 43.257 1.00 21.35 6

ATOM 2325 O2 C 111 49.452 17.586 43.474 1.00 21.58 8

ATOM 2326 N3 C 111 50.388 19.118 42.069 1.00 20.05 7

ATOM 2327 C4 C 111 50.778 20.385 41.881 1.00 20.27 6

ATOM 2328 N4 C 111 51.319 20.718 40.701 1, 00 18.25 7

ATOM 2329 C5 C 111 50.633 21.373 42.894 1, 00 19.63 6

ATOM 2330 C2* C 111 50.236 18.604 46.440 1.00 22.06 6

ATOM 2331 O2* C 111 49.627 17.661 47.301 1.00 22.11 8

ATOM 2332 C3* C 111 50.797 19.803 47.191 1.00 22.11 6

ATOM 2333 O3* C 111 51.471 19.437 48.384 1, 00 23.35 8

ATOM 2334 P A 112 53.055 19.176 48.348 1.00 24.33 15

ATOM 2335 O1P A 112 53.707 20.363 47.745 1.00 25.21 8

ATOM 2336 02P A 112 53.454 18.729 49.708 1.00 25.55 8

ATOM 2337 05* A 112 53.222 17.955 47.342 1, 00 23.81 8

ATOM 2338 C5* A 112 52.764 16.662 47.709 1, 00 23.48 6

ATOM 2339 C4* A 112 53.096 15.656 46.634 1.00 23.99 6

ATOM 2340 O4* A 112 52.298 15.900 45.442 1.00 24.33 8

ATOM 2341 Cl* A 112 53.034 15.502 44.294 1.00 23.66 6

ATOM 2342 N9 A 112 53.268 16.682 43.460 1, 00 24.05 7

ATOM 2343 C4 A 112 53.624 16.644 42.134 1, 00 23.54 6

ATOM 2344 N3 A 112 53.795 15.549 41.375 1, 00 22.85 7

ATOM 2345 C2 A 112 54.154 15.892 40.139 1, 00 24.20 6

ATOM 2346 Nl A 112 54.347 17.113 39.616 1.00 22.99 7

ATOM 2347 C6 A 112 54.164 18.191 40.405 1, 00 21.75 6

ATOM 2348 N6 A 112 54.356 19.399 39-877 1, 00 19.55 7

ATOM 2349 C5 A 112 53.780 17.964 41-743 1.00 22.10 6

ATOM 2350 N7 A 112 53.514 18.824 42.801 1, 00 22.50 7

ATOM 2351 C8 A 112 53.210 18.017 43.794 1.00 23.43 6

ATOM 2352 C2* A 112 54.356 14.925 44.803 1.00 23.87 6

ATOM 2353 02* A 112 54.226 13.535 45.030 1, 00 23.54 8

ATOM 2354 C3* A 112 54.513 15.694 46.102 1, 00 23.85 6

ATOM 2355 O3* A 112 55.419 15.061 46.971 1.00 23.49 8

ATOM 2356 P G 113 56.956 15.499 46.951 1.00 24.94 15

ATOM 2357 O1P G 113 57.005 16.983 46.885 1.00 26.25 8

ATOM 2358 02P G 113 57.623 14.788 48.070 1.00 24.41 8

ATOM 2359 O5* G 113 57.503 14.954 45.556 1, 00 24.60 8

ATOM 2360 C5* G 113 57.694 13.562 45.340 1.00 23.34 ^'6

ATOM 2361 C4* G 113 58.243 13.307 43.953 1.00 23.05 6 ATOM 2362 04* G 113 57.301 13.782 42.959 1.00 22.52 8

ATOM 2363 Cl* G 113 57.997 14.116 41.771 1.00 21.65 6

ATOM 2364 N9 G 113 57.771 15.526 41.493 1.00 20.39 7

ATOM 2365 C4 G 113 57.908 16.160 40.276 1.00 20.93 6

ATOM 2366 N3 G 113 58.239 15.576 39.103 1.00 21.39 7

ATOM 2367 C2 G 113 58.309 16.459 38.111 1.00 22.29 6

ATOM 2368 N2 G 113 58.610 16.060 36.866 1.00 21.14 7

ATOM 2369 Nl G 113 58.085 17.802 38.262 1.00 22.62 7

ATOM 2370 C6 G 113 57.753 18.426 39.457 1.00 21.67 6

ATOM 2371 06 G 113 57.591 19.651 39.482 1.00 20.70 8

ATOM 2372 C5 G 113 57.657 17.489 40.529 1.00 20.66 6

ATOM 2373 N7 G 113 57.349 17.682 41.868 1.00 20.42 7

ATOM 2374 C8 G 113 57.420 16.490 42.395 1.00 19.51 6

ATOM 2375 C2* G 113 59.476 13.857 42.046 1.00 22.01 6

ATOM 2376 O2* G 113 59.806 12.542 41.657 1.00 20.66 8

ATOM 2377 C3* G 113 59.516 14.027 43.552 1.00 22.66 6

ATOM 2378 03* G 113 60.673 13.421 44.095 1.00 24.34 8

ATOM 2379 P G 114 61.922 14.340 44.514 1.00 25.72 15

ATOM 2380 O1P G 114 61.397 15.534 45.218 1.00 25.90 8

ATOM 2381 02P G 114 62.899 13.458 45.200 1.00 26.66 8

ATOM 2382 05* G 114 62.534 14.791 43.112 1.00 25.76 8

ATOM 2383 C5* G 114 63.067 13.816 42.226 1.00 26.28 6

ATOM 2384 C4* G 114 63.512 14.446 40.932 1.00 27.37 6

ATOM 2385 O4* G 114 62.364 14.925 40.193 1.00 28.42 8

ATOM 2386 Cl* G 114 62.766 15.990 39.345 1.00 28.12 6

ATOM 2387 N9 G 114 61.979 17.172 39.664 1.00 28.89 7

ATOM 2388 C4 G 114 61.733 18.209 38.812 1.00 29.26 6

ATOM 2389 N3 G 114 62.117 18.273 37.523 1.00 29.91 7

ATOM 2390 C2 G 114 61.768 19.408 36.965 1.00 28.51 6

ATOM 2391 N2 G 114 62.066 19.625 35.682 1.00 27.20 7

ATOM 2392 Nl G ^■114 61.099 20.408 37.628 1.00 29.57 7

ATOM 2393 C6 G 114 60.691 20.353 38.958 i.oo- 28.61 6

ATOM 2394 06 G 114 60.089 21.300 39.457 1 1.,00 30.95 8

ATOM 2395 C5 G 114 61.055 19.143 3.9.559 11.,00 28.78 6

ATOM 2396 N7 G 114 60.845 18.684 40.848 11..00 29.34 7

ATOM 2397 C8 G 114 61.400 17.503 40.862 11..00 29.25 6

ATOM 2398 C2* G 114 64.245 16.259 39.623 1.00 27.74 6

ATOM 2399 02* G 114 65.028 15.599 38.648 1.00 27.22 8

ATOM 2400 C3* G 114 64.388 15.680 41.026 1.00 28.34 6

ATOM 2401 03* G 114 65.731 15.346 41.327 1.00 29.24 8

ATOM 2402 P C 115 66.563 16.273 42.337 1.00 30.21 15

ATOM 2403 O1P C 115 65.763 16.443 43.580^' 1.00 28.81

ATOM 2404 O2P C 115 67.941 15.727 42.410 1.00 30.97

ATOM 2405 05* C 115 66.645 17.680 41.601 1.00 29.87

ATOM 2406 C5* C 115 67.032 18.842 42.318 1.00 28.99 6

ATOM 2407 C4* C 115 67.753 19.797 41.406 1.00 28.73 6

ATOM 2408 04* C 115 68.970 19.181 40.923 1.00 28.62 8

ATOM 2409 Cl* C 115 69.298 19.727 .39.660 1.00 28.11 6

ATOM 2410 Nl C 115 69.544 18.627 38.720 1.00 27.33 7

ATOM 2411 C6 C 115 69.102 17.359 38.977 1.00 26.75 6

ATOM 2412 C2 C 115 70.248 18.905 37.553 1.00 27.29 6

ATOM 2413 02 C 115 70.630 20.062 37.358 1.00 28.95 8

ATOM 2414 N3 C 115 70.494 17.912 36.670 1.00 26.54 7

ATOM 2415 C4 C 115 70.062 16.675 36.927 1.00 26.85 6

ATOM 2416 N4 C 115 70.329 15.725 36.036 1.00 26.05 7

ATOM 2417 C5 C 115 69.336 16.360 38.115 1.00 26.29 6

ATOM 2418 C2* C 115 68.163 20.669 39.248 1.00 28.77 ^•6

ATOM 2419 02* C 115 68.555 21.995 39.541 1.00 29.12

ATOM 2420 C3* C 115 67.019 20.186 40.137 1.00 28.50 ATOM 2421 03* C 115 66.110 21.240 40.426 1.00 28.98 8

ATOM 2422 P G 116 64.624 21.197 39.827 1.00 29.59 15

ATOM 2423 O1P G 116 64.104 19.825 40.084 1.00 28.69 8

ATOM 2424 O2P G 116 63.853 22.377 40.308 1.00 28.49 8

ATOM 2425 O5* G 116 64.874 21.412 38.268 1.00 30.14 8

ATOM 2426 C5* G 116 65.389 22.647 37.782 1.00 27.72 6

ATOM 2427 C4* G 116 65.826 22.509 36.347 1.00 26.88 6

ATOM 2428 O4* G 116 66.865 21.504 36.271 1.00 27.18 8

ATOM 2429 Cl* G 116 66.730 20.758 35.077 1.00 26.92 6

ATOM 2430 N9 G 116 66.454 19.389 35.481 1.00 26.06 7

ATOM 2431 C4 G 116 66.956 18.228 34.940 1.00 26.36 6

ATOM 2432 N3 G 116 67.759 18.128 33.861 1.00 27.93 7

ATOM 2433 C2 G 116 68.098 16.869 33.617 1.00 27.28 6

ATOM 2434 N2 G 116 68.895 16.576 32.586 1.00 29.31 7

ATOM 2435 Nl G 116 67.681 15.806 34.371 1.00 25.73 7

ATOM 2436 C6 G 116 66.853 15.897 35.482 1.00 25.79 6

ATOM 2437 06 G 116 66.535 14.884 36.099 1.00 28.72 8

ATOM 2438 C5 G 116 66.485 17.221 35.749 1.00 25.42 6

ATOM 2439 N7 G 116 65.674 17.730 36.748 1.00 26.47 7

ATOM 2440 C8 G 116 65.674 19.015 36.541 1.00 26.03 6

ATOM 2441 C2* G 116 65.634 21.437 34.253 1 1..0000 2 288..1166 6

ATOM 2442 O2* G 116 66.255 22.410 33.429 1.00 28.65 8

ATOM 2443 C3* G 116 64.772 22.065 35.347 1.00 27.04 6

ATOM 2444 03* G 116 64.079 23.217 34.869 1.00 27.19 8

ATOM 2445 P A 117 62.572 23.089 34.313 1 1..00 28.40 15

ATOM 2446 O1P A 117 61.851 22.112 35.164 1 1..00 28.02

ATOM 2447 O2P A 117 62.009 24.462 34.157 1.00 26.92

ATOM 2448 O5* A 117 62.754 22.435 32.865 1.00 28.32 8

ATOM 2449 C5* A 117 63.068 23.234 31.721 1.00 26.80 6

ATOM 2450 C4* A 117 63.328 22.352 30.518 1 1.00 26.59 6

ATOM 2451 04* A 117 64.385 21.424 30.856 1 1,.00 27.03 8

ATOM 2452 Cl* A 117 64.156 20.178 30.227 1.00 26.66 6

ATOM 2453 N9 A 117 63.997 19.163 31.268 1.00 28.33 7

ATOM 2454 C4 A 117 64.606 17.930 31.321 1.00 27.90 6

ATOM 2455 N3 A 117 65.482 17.412 30.442 1.00 29.11 7

ATOM 2456 C2 A 117 65.863 16.193 30.818 1.00 28.53 6

ATOM 2457 Nl A 117 65.492 15.484 31.891 1.00 29.78 7

ATOM 2458 C6 A 117 64.609 16.035 32.756 1.00 28.51 6

ATOM 2459 N6 A 117 64.237 15.330 33.829 1.00 26.17 7

ATOM 2460 C5 A 117 64.134 17.327 32.470 1.00 27.54 6

ATOM 2461 N7 A 117 63.251 18.165 33.136 1.00 28.44 7

ATOM 2462 C8 A 117 63.205 19.237 32.385 1.00 27.88 6

ATOM 2463 C2* A 117 62.914 20.333 29.352 1.00 26.57 6

ATOM 2464 02* A 117 63.313 20.673 28.041 1.00 25.15 8

ATOM 2465 C3* A 117 62.179 21.467 30.055 1.00 26.79 6

ATOM 2466 O3* A 117 61.382 22.153 29.093 1.00 27.34 8

ATOM 2467 P C 118 59.932 22.717 29.493 1.00 27.40 15

ATOM 2468 OlP C 118 60.119 23.569 30.701 1.00 30.17 8

ATOM 2469 02P C 118 59.341 23.292 28.270 1.00 27.59

ATOM 2470 05* C 118 59.065 21.454 29.937 1.00 27.07 8

ATOM 2471 C5* C 118 59.039 20.273 29.153 1.00 25.67 6

ATOM 2472 C4* C 118 59.108 19.038 30.035 1.00 24.70 6

ATOM 2473 04* C 118 59.985 19.287 31.174 1.00 23.11 8

ATOM 2474 Cl* C 118 59.609 18.431 32.242 1.00 21.78 6

ATOM 2475 Nl C 118 59.213 19.234 33.400 1.00 19.66 7

ATOM 2476 C6 C 118 58.965 20.575 33.302 1.00 17.29 6

ATOM 2477 C2 C 118 59.077 18.577 34.626 1.00 19.97 6

ATOM 2478 02 C 118 59.317 17.356 34.675 1.00 20.85 8

ATOM 2479 N3 C 118 58.684 19.277 35.719 1.00 16.36 7 ATOM 2480 C4 C 118 58.429 20.577 35.613 1.00 15.10 6

ATOM 2481 N4 C 118 58.025 21.211 36.703 1.00 14.23 7

ATOM 2482 C5 C 118 58.571 21.280 34.375 1.00 15.41 6

ATOM 2483 C2* C 118 58.415 17.612 31.760 1.00 22.88 6

ATOM 2484 O2* C 118 58.884 16.385 31.224 1.00 23.18 8

ATOM 2485 C3* C 118 57.834 18.547 30.709 1.00 22.87 6

ATOM 248.6 03* C 118 57.009 17.811 29.815 1.00 22.90 8

ATOM 2487 P σ 119 55.453 17.601 30.158 1.00 22.62 15

ATOM 2488 O1P U ^• 119 54.932 18.860 30.743 1.00 23.08 8

ATOM 2489 02P U 119 .54.796 17.028 28.959 1.00 23.61 8

ATOM 2490 05* U 119 55.459 16.505 31.310 1.00 22.82 8

ATOM 2491 C5* U .119 55.897 15.180 31.046 1.00 22.77 6

ATOM 2492 C4* U 119 55.784 14.339 32.292 1.00 23.27 6

ATOM 2493 04* U 119 56.612 14.925 33.332 1.00 23.92 8

ATOM 2494 Cl* U 119 56.001 14.738 34.595 1.00 22.09 6

ATOM 2495 Nl U 119 55.709 16.063 35.151 1.00 20.01 7

ATOM 2496 C6 U 119 55.786 17.190 34.365 1.00 18.16 6

ATOM 2497 C2 O 119 55.357 16.146 36.490 1.00 18.55 6

ATOM 2498 02 U 119 55.265 15.170 37.226 1.00 14.66 8

ATOM 2499 N3 U 119 55.114 17.418 36.939 1.00 18.37 7

ATOM 2500 C4 U 119 55.180 18.584 36.209 1.00 17.67 6

ATOM 2501 O4 U 119 54.937 19.655 36.767 1.00 20.58 8

ATOM 2502 C5 U 119 55.540 18.415 34.836 1.00 16.76 6

ATOM 2503 C2* U 119 54.751 13.895 34.358 1.00 22.99 6

ATOM 2504 02* U 119 55.106 12.533 34.468 1.00 23.26 8

ATOM 2505 C3* ϋ 119 54.409 14.285 32.929 1.00 23.64 6

ATOM 2506 O3* U 119 53.586 13.317 32.298 1.00 24.33 8

ATOM 2507 P G 120 51.997 13.542 32.259 1.00 25.38 15

ATOM 2508 O1P G 120 51.738 15.002 32.260 1.00 23.61 8

ATOM 2509 02P G 120 51.439 12.695 31.166 1.00 25.36 8

ATOM 2510 05* G 120 51.504 12.996 33.670 1.00 23.55 8

ATOM 2511 C5* G 120 51.631 11.628 34.004 1.00 22.54 6

ATOM 2512 C4* G • 120 51.164 11.405 35.416 1.00 23.17 6

ATOM 2513 04* G 120 52.038 12.121 36.333 1.00 23.19 8

ATOM 2514 Cl* G 120 51.282 12.605 37.432 1.00 22.50 6

ATOM 2515 N9 G 120 51.362 14.064 37.433 1.00 24.01 7

ATOM 2516 C4 G 120 51.075 14.907 38.480 1.00 22.15 6

ATOM 2517 N3 G 120 50.656 14.534 39.704 1.00 24.33 7

ATOM 2518 C2 G 120 50.465 15.574 40.499 1.00 24.15 6

ATOM 2519 N2 G 120 50.031 15.386 41.752 1.00 22.12 7

ATOM 2520 Nl G 120 50.681 16.874 40.120 1.00 23.99 7

ATOM 2521 C6 G 120 51.115 17.275 38.862 1.00 22.43 6

ATOM 2522 O6 G 120 51.279 18.473 38.622 1.00 22.72 8

ATOM 2523 C5 G 120 51.312 16.176 38.004 1.00 22.02 6

ATOM 2524 N7 G 120 ^"51.739 16.137 36.684 1.00 24.17 7

ATOM 2525 C8 G 120 51.752 14.867 36.387 1.00 25.00 6

ATOM 2526 C2* G 120 49.862 12.075 37.250 1.00 21.85 6

ATOM 2527 02* G 120 49.805 10.802 37.841 1.00 21.85 8

ATOM 2528 C3* G 120 49.784 11.953 35.738 1.00 22.89 6

ATOM 2529 03* G 120 48.767 11.040 35.343 1.00 22.56 8

ATOM 2530 P U 121 47.315 11.596 34.934 1.00 22.66 15

ATOM 2531 O1P U 121 47.519 12.806 34.112 1.00 23.04 8

ATOM 2532 O2P U 121 46.527 10.459 34.399 1.00 22.74 8

ATOM 2533 05* U 121 46.650 12.107 36.293 1.00 22.54 8

ATOM 2534 C5* U 121 46.192 11.195 37.286 1.00 20.17 6

ATOM 2535 C4* U 121 45.901 11.929 38.570 1.00 19.96 6

ATOM 2536 O4* U 121 47.083 12.679 38.974 1.00 20.55 8

ATOM 2537 Cl* O 121 46.685 13.835 39.706 1.00 19.46 6

ATOM 2538 Nl U 121 47.149 15.036 38.998 1.00 18.35 7 ATOM 2539 C6 U 121 47.481 15.007 37.664 1.00 17.55 6

ATOM 2540 C2 U 121 47.227 16.214 39.720 1.00 17.25 6

ATOM 2541 O2 U 121 46.958 16.282 40.897 1.00 21.25 8

ATOM 2542 N3 U 121 47.634 17.309 39.007 1.00 14.73 7

ATOM 2543 CA U 121 47.971 17.350 37.679 1.00 13.18 6

ATOM 2544 04 U 121 48.324 18.412 37.187 1.00 13.76 8

ATOM 2545 C5 U 121 47.880 16.099 36.998 1.00 15.02 6

ATOM 2546 C2* ϋ 121 45.161 13.803 39.773 1.00 19.94 6

ATOM 2547 02* U 121 44.759 13.096 40.929 1.00 21.30 8

ATOM 2548 C3* U 121 44.839 13.015 38.516 1.00 20.10 6

ATOM 2549 03* U 121 43.531 12.486 38.603 1.00 19.66 8

ATOM 2550 P G 122 42.290 13.378 38.131 1.00 18.79 15

ATOM 2551 O1P G 122 42.678 14.075 36.882 1.00 18.75 8

ATOM 2552 O2P G 122 41.091 12.508 38.152 1.00 17.60 8

ATOM 2553 05* G 122 42.158 14.488 39.260 1.00 18.19 8

ATOM 2554 C5* G 122 41.638 14.163 40.535 1.00 17.06 6

ATOM 2555 C4* G 122 41.533 15.399 41.380 1.00 17.29 6

ATOM 2556 04* G 122 42.852 15.977 41.566 1.00 18.50 8

ATOM 2557 Cl* G 122 42.749 17.395 41.617 1.00 18.88 6

ATOM 2558 N9 G 122 43.441 17.931 40.451 1.00 21.46 7

ATOM 2559 C4 G 122 43.876 19.227 40.250 1.00 22.00 6

ATOM 2560 N3 G 122 43.761 20.254 41.120 1.00 22.66 7

ATOM 2561 C2 G 122 44.264 21.374 40.626 1.00 24.09 6

ATOM 2562 N2 G 122 44.240 22.506 41.352 1.00 24.46 7

ATOM 2563 Nl G 122 44.832 21.474 39.379 1.00 23.09 7

ATOM 2564 C6 G 122 44.954 20.434 38.472 1.00 21.56 6

ATOM 2565 06 G 122 45.475 20.637 37.364 1.00 20.94 8

ATOM 2566 C5 G 122 44.425 19.232 38.989 1.00 21.21 6

ATOM 2567 N7 G 122 44.351 17.974 38.417 1.00 24.09 7

ATOM 2568 C8 G 122 43.765 17.237 39.319 1.00 21.96 6

ATOM 2569 C2* G 122 41.257 17.716 41.576 1.00 17.82 6

ATOM 2570 02* G 122 40.732 17.706 42.881 1.00 15.12 8

ATOM 2571 C3* G 122 40.734 16.536 40.778 1.00 18.39 6

ATOM 2572 03* G 122 39.349 16.343 40.998 1.00 19.52 8

ATOM 2573 P G 123 38.289 17.049 40.025 1.00 20.25 15

ATOM 2574 O1P G 123 38.646 16.727 38.620 1.00 19.68 8

ATOM 2575 O2P G 123 36.937 16.731 40.537 1.00 21.76

ATOM 2576 05* G 123 38.528 18.604 40.255 1.00 20.85

ATOM 2577 C5* G 123 38.108 19.231 41.453 1.00 18.15 6

ATOM 2578 C4* G 123 38.469 20.689 41.417 1.00 19.42 6

ATOM 2579 04* G 123 39.912 20.823 41.326 1.00 19.90 8

ATOM 2580 Cl* G 123 40.231 21.968 40.549 1.00 21.08 6

ATOM 2581 N9 G 123 40.893 21.524 39.331 1.00 20.95 7

ATOM 2582 C4 G 123 41.622 22.302 38.470 1.00 20.19 6

ATOM 2583 N3 G 123 41.889 23.612 38.622 1.00 20.38 7

ATOM 2584 C2 •G 123 42.614 24.084 37.618 1.00 21.86 6

ATOM 2585 N2 G 123 42.978 25.371 37.602 1.00 22.15 7

ATOM 2586 Nl G 123 43.034 23.326 36.553 1.00 22.37 7

ATOM 2587 C6 G 123 42.761 21.976 36.382 1.00 21.43 6

ATOM 2588 06 G 123 43.179 21.386 35.389 1.00 25.00 8

ATOM 2589 C5 G 123 41.997 21.461 37.445 1.00 20.28 6

ATOM 2590 N7 G 123 41.528 20.177 37.666 1.00 21.51 7

ATOM 2591 C8 G 123 40.884 20.259 38.799 1.00 20.99 6

ATOM 2592 C2* G 123 38.906 22.659 40.224 1.00 19.97 6

ATOM 2593 02* G 123 38.582 23.539 41.274 1.00 20.01 8

ATOM 2594 C3+ G 123 37.959 21.475 40.221 1.00 19.72 6

ATOM 2595 03* G 123 36.632 21.917 40.441 1.00 21.34 8

ATOM 2596 P C 124 35.658 22.164 39.192 1.00 23.77 15

ATOM 2597 O1P C 124 35.776 21.016 38.264 1.00 25.58 ATOM 2598 02P C 124 34.333 22.503 39.764 1.00 24.89 8

ATOM 2599 05* C 124 36. 273 23. 441 38. 455 1. 00 24 .35 8

ATOM 2600 C5* C 124 36.210 24.711 39.079 1.00 25.09 6

ATOM 2601 C4* C 124 36.872 25.789 38.244 1.00 25.45 6

ATOM 2602 04* C 124 38.287 25.542 38.070 1.00 25.73 8

ATOM 2603 Cl* C 124 38.767 26.422 37.073 1.00 25.73 6

ATOM 2604 Nl C 124 39.613 25.701 36.115 1.00 26.19 7

ATOM 2605 C6 C 124 39.437 24.372 35.845 1.00 24.59 6

ATOM 2606 C2 ^■ C 124 40.600 26.427 35.458 1.00 26.95 6

ATOM 2607 02 C 124 40.750 27.628 35.749 1.00 29.88 8

ATOM 2608 N3 C 124 41.367 25.820 34.530 1.00 25.43 7

ATOM 2609 C4 C 124 41.186 24.534 34.259 1.00 24.28 6

ATOM 2610 N4 C 124 41.975 23.987 33.330 1.00 24.19 7

ATOM 2611 C5 C 124 40.193 23.754 34.927 1.00 23.99 6

ATOM 2612 C2* C 124 37.540 27.022 36.391 1.00 26.91 6

ATOM 2613 ^• 02* C 124 37.335 28.297 36.955 1 1..00 29.55 8

ATOM 2614 C3* C 124 36.445 26.050 36.816 1 1..00 26.21 6

ATOM 2615 O3* C 124 35.191 26.707 36.746 1 1..00 26.69 8

ATOM 2616 P A 125 34.356 26.686 35.367 1.00 29.14 15

ATOM 2617 OlP A 125 34.486 25.356 34.730 1.00 27.08 8

ATOM ^■ 2618 O2P A 125 33.003 27.245 35.639 1.00 30.58 8

ATOM 2619 05* A 125 35.089 27.746 34.438 1.00 27.06 8

ATOM 2620 C5* A 125 34.815 29.126 34.582 1.00 23.73 6

ATOM 2621 C4* A 125 35.483 29.898 33.483 1.00 22.21 6

ATOM 2622 O4* A 125 36.893 29.569 33.476 1.00 21.77 8

ATOM 2623 Cl* A 125 37.385 29.638 32.149 1.00 21.42 6

ATOM 2624 N9 . A 125 37.893 28.324 31.775 1.00 20.67 7

ATOM 2625 C4 A 125 38.717 28.070 30.712 1.00 19.33 6

ATOM 2626 N3 A 125 39.163 28.951 29.804 1.00 17.68 7

ATOM 2627 C2 A 125 39.971 28.356 28.943 1.00 17.91 6

ATOM 2628 Nl A 125 40.357 27.078 28.894 1.00 18.69 7

ATOM 2629 C6 A 125 39.886 26.222 29.822 1.00 18.01 6

ATOM 2630 N6 A 125 40.278 24.956 29.781 1.00 20.17 7

ATOM 2631 C5 A 125 39.016 26.723 30.782 1.00 19.04 6

ATOM 2632 N7 A 125 38.362 26.127 31.850 1.00 19.33 7

ATOM 2633 C8 A 125 37.701 27.114 32.400 1.00 21.10 6

ATOM 2634 C2* A 125 36.222 30.072 31.271 1.00 21.64 6

ATOM 2635 O2* A 125 36.211 31.481 31.203 1.00 24.39 8

ATOM 2636 C3* A 125 35.058 29.538 32.077 1.00 21.21 6

ATOM 2637 O3* A 125 33.863 30.183 31.709 1.00 21.00 8

ATOM 2638 P U 126 32.814 29.397 30.801 1.00 21.12 15

ATOM 2639 O1P U 126 32.824 28.006 31.305 1.00 22.18 8

ATOM 2640 O2P U 126 31.530 30.148 30.761 1 1..00 22.76 8

ATOM 2641 O5* U 126 33.487 29.416 29.354 11..00 20.68 8

ATOM 2642 C5* U 126 33.865 30.642 28.740 1.00 18.79 6

ATOM 2643 C4* U 126 34.866 30.388 27.637 1.00 18.93 6

ATOM 2644 04* U 126 36.050 29.744 28.186 1.00 18.39 8

ATOM 2645 Cl* U 126 36.601 28.852 27.232 1.00 16.76 6

ATOM 2646 Nl U 126 36.574 27.509 27.822 1.00 17.47 7

ATOM 2647 C6 U 126 35.755 27.239 28.892 1.00 15.77 6

ATOM 2648 C2 U 126 37.404 26.531 27.287 1.00 15.51 6

ATOM 2649 O2 U 126 38.132 26.724 26.332 1.00 14.29 8

ATOM 2650 N3 U 126 37.345 25.319 27.921 i.oo 13.55 7

ATOM 2651 C4 U 126 36.550 24.986 28.999 1.00 14.68

ATOM 2652 04 U 126 36.575 23.837 29.438 1.00 13.63

ATOM 2653 C5 U 126 35.717 26.049 29.483 1.00 15.49 6

ATOM 2654 C2* U 126 35.767 28.984 25.959 1.00 17.66 6

ATOM 2655 02* U 126 36.384 29.949 25.133 1.00 17.12 8

ATOM 2656 C3* U 126 34.424 29.457 26.520 1.00 18.41 ATOM 2657 03* U 126 33.673 30.193 25.559 1.00 17.76

ATOM 2658 P A 127 32.571 29.451 24.652 1. 00 18.30 15

ATOM 2659 O1P A 127 31.862 28.434 25.475 1.00 18.23

ATOM 2660 O2P A 127 31.784 30.521 23.972 1.00 18.44

ATOM 2661 O5* A 127 33.420 28.690 23.542 1.00 17.44 8

ATOM 2662 C5* A 127 32.786 28.157 22.386 1.00 18.30 6

ATOM 2663 C4* A 127 33.818 27.745 21.365 1.00 20.20 6

ATOM 2664 O4* A 127 34.720 26.767- 21.944 1, 00 20.24 8

ATOM 2665 Cl* A 127 35.091 25.817 20.961 1, 00 19.50 6

ATOM 2666 N9 . ^•A 127 34.684 24.494 21.438 1.00 18.41 7

ATOM 2667 C4 A 127 35.285 23.301 21.111 1. 00 17.38 6

ATOM 2668 N3 A 127 36.324 23.114 20.280 1.00 17.94 7

ATOM 2669 C2 A 127 36.653 21.822 20.221 1, 00 17.62 6

ATOM 2670 Nl A 127 36.102 20.775 20.851 1.00 15.18 7

ATOM 2671 C6 A 127 35.061 20.996 21.674 1.00 13.62 6

ATOM 2672 N6 A 127 34.523 19.955 22.292 1, 00 13.26 7

ATOM 2673 C5 A ^' 127 34.610 22.328 21.826 1.00 16.06 6

ATOM 2674 N7 A 127 33.585 22.895 22.576 1.00 15.73 7

ATOM 2675 C8 A 127 33.669 24.177 22.306 1. 00 15.84 6

ATOM 2676 C2* A 127 34.444 26.239 19.639 1.00 20.43 6

ATOM 2677 O2* A 127 35.358 27.005 18.881 1.00 21.29 8

ATOM 2678 C3* A 127 33.257 27.062 20.127 1.00 20.89 6

ATOM 2679 O3* A 127 32.870 28.041 19.172 1, 00 21.34 8

ATOM 2680 P G 128 31.402 27.987 18.525 1.00 22.01 15

ATOM 2681 O1P G 128 30.499 27.369 19.534 00 21.05 8

ATOM 2682 02P G 128 31.102 29.347 17.984 00 21.45 8

ATOM 2683 05* G 128 31.558 26.984 17.295 00 20.53 8

ATOM 2684 C5* G 128 32.458 27.279 16.239 00 19.56 6

ATOM 2685 C4* G 128 33.022 26.010 15.652 00 20.48 6

ATOM 2686 O4* G 128 33.844 25.307 16.625 1.00 20.04 8

ATOM 2687 Cl* G 128 33.712 23.908 16.432 1. .00 20.39 6

ATOM 2688 N9 G 128 33-075 23.353 17.620 1..00 21.50 7

ATOM 2689 C4 G 128 33.228 22.079 18.114 1..00 21.71 6

ATOM 2690 N3 G 128 34.012 21.113 17.593 1..00 20.81 7

ATOM 2691 C2 G 128 33.948 19.995 18.293 1..00 21.07 6

ATOM 2692 N2 G 128 34.663 18.932 17.921 1, .00 23.22 7

ATOM 2693 Nl G 128 33.179 19.834 19.411 1.00 21.26 7

ATOM 2694 C6 G 128 32.360 20.809 19.965 1.00 22.36 6

ATOM 2695 06 G 128 31.697 20.551 20.978 1.00 23.95 8

ATOM 2696 C5 G 128 32.420 22.020 19.228 1.00 22.30 6

ATOM 2697 N7 G 128 31.775 23.235 19.434 1.00 23.11 7

ATOM 2698 C8 G 128 32.196 23.994 18.459 1, .00 21.46 6

ATOM 2699 C2* G 128 32.850 23.718 ^•15.184 1..00 20.03 6

ATOM 2700 02* G 128 33.684 23.726 14.049 1..00 20.52

ATOM ^■ 2701 C3* G 128 31.999 24.977 15.229 .00 21.05

ATOM 2702 O3* G 128 31.466 25.312 13.958 .00 21.80

ATOM 2703 P A 129 30.047 ^•24.719 13.511 .00 22.31 15

ATOM 2704 O1P A 129 29.153 24.632 14.698 .00 20.99

ATOM 2705 O2P A 129 29.624 25.501 12.323 .00 21.82

ATOM 2706 05* A 129 30.384 23.229 13.054 .00 23.38

ATOM ^•2707 C5* A 129 31.218 22.989 11.931 .00 25.42 6

ATOM 2708 C4* A 129 31.629 21.540 11.884 1.00 28.38 6

ATOM 2709 O4* A 129 32.351 21.201 13.096 .00 30.28 8

ATOM 2710 Cl* A 129 32.146 19.832 13.402 .00 30.09 6

ATOM 2711 • N9 A 129 31.562 19.749 14.739 .00 30.81 7

ATOM 2712 . C4 A 129 31.707 18.708 15.627 .00 29.89 6

ATOM 2713 N3 A 129 32.408 17.576 15.448 .00 29.52 7

ATOM 2714 C2 A 129 32.314 16.793 16.518 .00 27.12 6

ATOM 2715 Nl A 129 31.652 16.997 17.657 1.00 27.29 7 ATOM 2716 Cβ A 129 30.957 18.145 17.809 1.00 28.00 6

ATOM 2717 N6 A 129 30.290 18.344 18.951 1.00 26.44 7

ATOM 2718 C5 A 129 30.975 19.063 16.746 1.00 29.28 6

ATOM 2719 N7 A 129 30.381 20.308 16.570 1. 00 30.64 7

ATOM 2720 C8 A 129 30.760- 20.672 15.368 1.00 30.76 6

ATOM 2721 C2* A 129 31.223 19.266 12.321 1.00 29.46 6

ATOM 2722 O2* A 129 31.996 18.686 11.294 1.00 29.36 8

ATOM 2723 C3* A 129 30.508 20.522 11.849 1.00 28.86 6

ATOM 2724 O3* A 129 30.040 20.371 10.523 1.00 30.26 8

ATOM 2725 P G 130 28.681 19.562 10.241 1.00 32.21 15

ATOM 2726 O1P G 130 27.775 19.783 11.396 1.00 30.32 8

ATOM 2727 02P G 130 28.245 19.970 8.883 1.00 32.51 8

ATOM 2728 05* G 130 29.143 18.023 10.200 1.00 33.92 8

ATOM 2729 C5* G 130 28.286 17.017 9.643 1.00 35.07 ^• 6

ATOM 2730 C4* G 130 28.807 15.592 9.878 1.00 35.73 6

ATOM 2731 O4* G 130 29.787 15.199 8.873 1.00 36.50 8

ATOM 2732 Cl* G 130 31.039 14.995 9.484 1.00 37.08 6

ATOM 2733 N9 G 130 32.134 15.319 8.573 1, 00 38.99 7

ATOM 2734 C4 G 130 32.604 16.561 8.224 1, 00 41.44 6

ATOM 2735 N3 G 130 32.121 17.746 8.659 1, 00 43.94 7

ATOM 2736 C2 G 130 32.790 18.770 8.145 1 00 46.43 6

ATOM 2737 N2 G ^■ 130 32.448 20.028 8.475 1, 00 48.09 7

ATOM 2738 Nl G 130 33.847 18.638 7.272 1, 00 46.45 7

ATOM 2739 C6 G 130 34.360 17.427 6.812 1, 00 43.79 6

ATOM 2740 06 G 130 35.316 17.421 6.028 1, 00 44.18 8

ATOM 2741 C5 G 130 33.655 16.323 7..354 1, 00 41.67 6

ATOM 2742 N7 G 130 33.835 14.960 7..159 1 00 40.49 7

ATOM 2743 C8 G 130 32.912 14.405 7..897 1.00 39.19 6

ATOM 2744 C2* G 130 31.007 15.456 10.939 1 00 36.41 6

ATOM 2745 O2* G 130 31.716 14.480 11.680 1 00 35.65 8

ATOM 2746 C3* G 130 29.502 15.410 11.224 1 00 35.50 6

ATOM 2747 O3* G 130 29.043 14.258 11.917 1 00 33.70 8

ATOM 2748 P C 131 27.653 14.301 12.703 1 00 33.91 15

ATOM 2749 O1P C 131 26.833 15.391 12.103 1 00 33.46 8

ATOM 2750 O2P- C 131 27.116 12.916 12.767 1 00 33.19 8

ATOM 2751 05* C 131 28.062 14.753 14.170 1 00 31.80 8

ATOM 2752 C5* C 131 28.596 13.832 15.104 1 00 29.48 6

ATOM 2753 C4* C 131 28.254 14.290 16.487 1 00 29.27 6

ATOM 2754 04* C 131 28.894 15.574 16.716 1 00 29.13 8

ATOM 2755 Cl* C 131 28.028 16.420 17.449 1 00 27.33 6

ATOM 2756 Nl C 131 27.756 17.610 16.632 1 00 25.74 7

ATOM 2757 C6 C 131 28.030 17.626 15.292 1 00 25.77 6

ATOM 2758 C2 C 131 27.230 18.737 17.254 1 00 25.93 6

ATOM 2759 02 C 131 26.982 18.679 18.460 1 00 28.92 8

ATOM 2760 N3 C 131 27.006 19.861 16.527 1 00 24.28 7

ATOM 2761 C4 C 131 27.281 19.875 15.222 1 00 24.54 6

ATOM 2762 N4 C 131 27.039 20.998 14.546 1.00 23.04 7

ATOM 2763 C5 C 131 27.813 18.731 14.553 1. 00 25.58 6

ATOM 2764 C2* C 131 26.791 15.597 17.799 1.00 28.77 6

ATOM 2765 02* C 131 26.972 14.969 19.052 1, 00 28.09 8

ATOM 2766 C3* C 131 26.780 14.596 16.656 1, 00 29.72 6

ATOM 2767 O3* C 131 26.040 13.423 16.955 1.00 31.40. 8

ATOM 2768 P A 132 24.509 13.319 16.487 1.00 31.72 15

ATOM 2769 O1P A 132 24.417 13.923 15.132 1.00 31.65 8

ATOM 2770 O2P A 132 24.047 11.930 16.709 1, 00 32.13 8

ATOM 2771 05* A 132 23.749 14.273 17.505 1, 00 32.01 8

ATOM 2772 C5* A 132 23.716 13.973 18.891 1, 00 32.87 6

ATOM 2773 C4* A 132 22.891 15.000 19.620 1, 00 34.63 6

ATOM 2774 04* A 132 23.575 16.278 19.601 1.00 35.16 8 ATOM 2775 Cl* A 132 22.624 17.325 19.535 1.00 35.77 6

ATOM 2776 N9 A 132 22.882 18.101 18.325 1.00 36.14 7

ATOM ^' 2777 CA A 132 22.395 19.356 18.036 1.00 36.91 6

ATOM 2778 N3 A 132 21.563 20.102 18.780 • 1.00 37.80 7

ATOM. 2779 C2^' A 132 21.329 21.276 18.196 1.00 37.12 6

ATOM 2780 Nl A 132 21.793 21.755 17.041 1.00 36.67 7

ATOM 2781 C6 A 132 22.623 20.985 16.314 1.00 36.56 6

ATOM 2782 N6 A 132 23.085 21.472 15.163 1.00 36.01 7

ATOM 2783 C5 A 132 22.952 19.708 16.823 1.00 37.38 6

ATOM 2784 N7 A 132 23.757 18.683 16.341 1.00 39.24 7

ATOM 2785 CB A 132 23.674 17.753 17.265 1.00 36.59 6

ATOM 2786 C2* A 132 21.241 16.679 19.573 1.00 36.24 6

ATOM 2787 O2* A 132 20.823 16.592 20.918 1.00 37.27 8

ATOM 2788 C3* A 132 21.543 15.307 18.993 1.00 36.05 6

ATOM 2789 03* A 132 20.568 14.345 19.374 1.00 36.68 8

ATOM 2790 P G 133 19.341 14.025 18.388 1.00 37.68 15

ATOM 2791 O1P G 133 19.835 14.062 16.981 1.00 37.25 8

ATOM 2792 O2P G 133 18.673 12.802 18.901 1.00 37.48 8

ATOM 2793 05* G 133 18.360 15.259 18.594 1.00 38.07 8

ATOM 2794 C5* G 133 17.700 15.457 19.832 1.00 39.84 6

ATOM 2795 C4* G 133 16.916 16.738 19.792 1.00 41.78 6

ATOM 2796 O4* G 133 17.830 17.866 19.677 1.00 42.00 8

ATOM 2797 Cl* G 133 17.251 18.868 18.852 1.00 43.35 6

ATOM 2798 N9 G 133 18.094 19.025 17.666 1.00 44.21 7

ATOM 2799 C4 ^"G 133 18.198 20.142 16.854 1.00 44.30 6

ATOM 2800 N3 G 133 17.535 21.312 17.010 1.00 44.22 7

ATOM 2801 C2 G 133 17.851 22.194 16.066 1.00 43.59 6

ATOM 2802 N2 G 133 17.292 23.406 16.066 LOO' 42.42 7

ATOM 2803 Nl G 133 18.742 21.952 15.054 1.00 43.41 7

ATOM 2804 C6 G 133 19-436 20.761 14.870 1.00 44.49 6

ATOM 2805 O6 G 133 20.219 20.648 13.920 1.00 44.73 8

ATOM 2806 C5 G 133 19.109 19.799 15.877 1.00 44.56 6

ATOM 2807 N7 G 133 19.567 18.499 16.064 1.00 44.40 7

ATOM 2808 C8 G - 133 18.941 18.082 17.132 1.00 44.08 6

ATOM 2809 C2* G 133 15.835 18.388 18.518 1.00 43.38 6

ATOM 2810 02* G 133 14.919 18.821 19.504 1.00 43.28 8

ATOM 2811 C3* G 133 16.024 16.882 18.576 1.00 42.78 6

ATOM 2812 03* G 133 14.792 16.195 18.728 1.00 43.23 8

ATOM 2813 P U 134 13.945 15.807 17.421 1.00 43.47 15

ATOM 2814 O1P U 134 12.734 15.091 17.884 1.00 44.62 8

ATOM 2815 O2P ϋ 134 14.864 15.140 16.466 1.00 44.07 8

ATOM 2816 O5* U 134 13.500 17.212 16.811 1.00 43.55 8

ATOM 2817 C5* U 134 12.540 18.023 17.481 1.00 44.94 6

ATOM 2818 C4* U 134 12.279 .19.290 16.701 1.00 46.34 6

ATOM 2819 04* α 134 13.502 20.076 16.653 1.00 46.83 8

ATOM 2820 Cl* U 134 13.573 20.170 15.415 1.00 48.07 6

ATOM 2821 Nl 0 134 14.757 20.303 14-679 1.00 50.33 7

ATOM 2822 C6 U 134 15.373 19.108 14.983 1.00 50.47 6

ATOM 2823 C2 U 134 15.226 21.104 13.654 1.00 50.36 6

ATOM 2824 02 ^• u 134 14.710 22.167 13.358 1.00 50.90 8

ATOM 2825 N3 U 134 16.322 20.612 12.987 1.00 49.99 7

ATOM 2826 C4 U 134 16.980 19.427 13.234 1.00 49.64 6

ATOM 2827 04 U 134 17.951 19.122 12.542 1.00 49.71 8

ATOM 2828 C5 U 134 16.438 18.655 14.312 1.00 49.83 6

ATOM 2829 C2* U 134 12.285 20.466 14.649 1.00 47.29 6

ATOM 2830 02* U 134 11.331 21.474 14.897 1.00 46.76 8

ATOM 2831 C3* ϋ 134 11.902 19.115 15.238 1.00 47.19 6

ATOM 2832 03* U 134 10.519 18.836 15.046 1.00 47.72 8

ATOM 2833 P C 135 10.031 18.174 13.658 1.00 49.28 15 ATOM 2834 OlP C 135 8.550 18.015 13.710 1.00 47.98 8

ATOM 2835 02P C 135 10.886 16.985 13.392 1.00 48.27 8

ATOM 2836 05* C 135 10.381 19.276 12.557 1.00 49.01 8

ATOM 2837 C5* C 135 9.634 20.485 12.469 1.00 49.04 6

ATOM 2838 C4* C 135 10.146 21.340 11.334 1.00 49.21 6

ATOM 2839 O4* C 135 11.514 21.748 11.607 1.00 49.91 8

ATOM 2840 Cl* C 135 12.222 21.897 10.383 1.00 48.99 6

ATOM 2841 ISIl C 135 13.330 20.930 10.359 1.00 47.92 7

ATOM 2842 C6 C 135 13.333 19.839 11.183 1.00 47.28 6

ATOM 2843 C2 C 135 14.375 21.131 9.450 1.00 46.24 6

ATOM 2844 O2 C 135 14.356 22.135 8.737 1.00 45.83 8

ATOM 2845 N3 C 135 15.374 20.223 9.375 1.00 45.24 7

ATOM 2846 C4 C 135 15.358 19.151 10.167 00 44.86 6

ATOM 2847 N4 C 135 16.354 18.277 10.050 00 43.64 7

ATOM 2848 C5 C 135 14.315 18.928 11.117 00 46.25 6

ATOM 2849 C2* C 135 11.224 21.602 9.262 00 49.65 6

ATOM 2850 02* C 135 10.616 22.808 8.841 00 50.18 8

ATOM 2851 C3* C 135 10.252 20.673 9.976 1.00 49.50 6

ATOM 2852 O3* C 135 8.998 20.629 9.315 1. 00 50.58 8

ATOM 2853 P C 136 8.803 19.664 8.042 1.00 51.07 15

ATOM 2854 O1P C 136 7.387 19.791 7.627 1.00 51.32 8

ATOM 2855 O2P C 136 9.363 18.322 8.354 1.00 51.57 8

ATOM 2856 O5* C 136 9.712 20.307 6.903 1.00 51.20 8

ATOM 2857 C5* C 136 9.307 21.486 6.220 1.00 50.82 6

ATOM 2858 C4* C 136 10.300 21.821 5.132 1, 00 50.97 6

ATOM 2859 O4* C 136 11.614 22.007 5.727 1.00 50.95 8

ATOM 2860 Cl* C 136 12.612 21.563 4.824 00 50.96 6

ATOM 2861 Nl C 136 13.356 20.460 5.451 00 50.43 7

ATOM 2862 C6 C 136 12.858 19.795 6.538 1.00 49.20 6

ATOM 2863 C2 C 136 14.590 20.091 4.899 1, 00 50.21 6

ATOM 2864 02 C 136 15.014 20.715 3.914 1, 00 50.15 8

ATOM 2865 N3 C 136 15.283 19.066 5.447 00 49.43 7

ATOM 2866 C4 C 136 14.787 18.418 6.503 00 49.16 6

ATOM 2867 N4 C 136 15.505 17.413 7, 007 00 47.59 7

ATOM 2868 C5 C 136 13.531 18.774 7.089 00 49.29 6

ATOM 2869 C2* C 136 11.899 21.105 3.550 00 51.48 6

ATOM 2870 02* C 136 11.849 22.154 2, 604 00 52.67 8

ATOM 2871 C3* C 136 10.529 20.734 4.096 00 50.99 6

ATOM 2872 03* C 136 9.543 20.762 3.076 1, 00 50.39 8

ATOM 2873 P G 137 8.983 19.381 2.482 1, 00 50.23 15

ATOM 2874 O1P G 137 7.960 19.732 1.467 00 49.98 8

ATOM 2875 O2P G 137 8.617 18.512 3.630 00 49.41 8

ATOM 2876 05* G 137 10.236 18.736 1.735 00 50.04 8

ATOM 2877 C5* G 137 10.908 19.446 0.701 00 50.11 6

ATOM 2878 C4* G 137 12.266 18.836 0.435 00 50.28 6

ATOM 2879 04* G 137 13.095 18.956 1.623 00 49.49 8

ATOM 2880 Cl* G 137 13.913 17.803 1.752 1.00 48.70 6

ATOM 2881 N9 G 137 13.539 17.124 2.987 1.00 47.06 7

ATOM 2882 C4 G 137 14.292 16.218 3.693 1.00 45.76 6

ATOM 2883 N3 G 137 15.525 15.775 3.360 1.00 45.34 7

ATOM 2884 C2 G 137 16.002 14.914 4.255 1.00 44.83 6

ATOM 2885 N2 G 137 17.227 14.377 4.088 1.00 41.59 7

ATOM 2886 Nl G 137 15.313 14.520 5.381 1.00 44.01 7

ATOM 2887 C6 G 137 14.044 14.968 5.737 1.00 45.02 6

ATOM 2888 06 G 137 13.515 14.559 6.775 1.00 45.61 8

ATOM 2889 C5 G 137 13.528 15.887 4.791 1.00 44.87 6

ATOM 2890 N7 G 137 12.318 16.564 4.770 1.00 45.33 7

ATOM 2891 C8 G 137 12.367 17.280 3.683 1.00 46.12 6

ATOM 2892 C2* G 137 13.698 16.955 0.497 1.00 49.44 6 ATOM 2893 O2* G 137 14.658 17.336 -0.467 1.00 48.64 8

ATOM 2894 C3* G 137 12.275 17.349 0.108 1.00 50.37 6

ATOM 2895 O3* G 137 12.012 17.130 -1.281 1.00 51.61 8

ATOM 2896 P G 138 10.721 16.270 -1.730 1.00 53.07 15

ATOM 2897 O1P G 138 9.960 15.949 -0.488 1.00 52.06 8

ATOM 2898 O2P G 138 10.048 16.999 -2.836 1.00 52-76 8

ATOM 2899 O5* G 138 11.314 14.912 -2.332 1.00 52.92 8

ATOM 2900 C5* G 138 11.857 13.904 -1.474 1.00 53.27 6

ATOM 2901 C4* G 138 12.403 12.734 -2.276 1.00 52.85 6

ATOM 2902 04* G 138 13.155 11.875 -1.381 1.00 52.81 8

ATOM 2903 Cl* G 138 12.483 10.650 -1.224 1.00 51.80 6

ATOM 2904 N9 G 138 12.665 10.155 0.134 1.00 49.84 7

ATOM 2905 C4 G 138 13.812 9.563 0.591 1.00 48.72 6

ATOM 2906 N3 G 138 14.943 9.392 -0.120 1.00 48.22 7

ATOM 2907 C2 G 138 15.879 8.777 0.578 1.00 48.52 6

ATOM 2908 N2 G 138 17.070 8.527 0.018 1.00 48.65 .7

ATOM 2909 Nl G -138 15.718 8.360 1.874 1.00 47.54 7

ATOM 2910 C6 G 138 14.563 8.524 2.627 1.00 47.38 6

ATOM 2911 06 G 138 14.527 8.109 3.786 1.00 47.69 8

ATOM 2912 C5 G 138 13.545 9.189 1, .887 1.00 48.15 6

ATOM 2913 N7 G 138 12.254 9.558 2..248 1.00 48.11 7

ATOM 2914 C8 G 138 11.772 10.135 1, .178 1.00 49.25 6

ATOM 2915 C2* G 138 11.100 10.716 -1.878 1.00 52.16 6

ATOM 2916 02* G 138 10.833 9.497 -2.540 1.00 52.56 8

ATOM 2917 C3* G 138 11.296 11.859 -2.871 1.00 52.11 6

ATOM 2918 03* G 138 11.609 11.430 -4 205 1.00 51.39 8

ATOM 2919 P G 139 10.439 11.039 -5.234 1.00 52.12 15

ATOM 2920 O1P G 139 9.156 11.464 -4.615 1.00 53.23 8

ATOM 2921 O2P G 139 10.834 11.571 -6.564 1.00 51.65 8

ATOM 2922 O5* G 139 10.387 9.444 -5.335 1.00 51.35 8

ATOM 2923 C5* G 139 11.562 8.641 -5.318 1.00 50.57 6

ATOM 2924 C4* G 139 11.938 8.167 -6.717 1.00 49.86 6

ATOM 2925 04* G 139 13.188 7..443355 -6.572 1.00 49.42 8

ATOM 2926 Cl* G 139 13.224 6.352 -7.480 1.00 47.66 6

ATOM 2927 N9 G 139 13.174 5.111 -6.719 1.00 44.53 7

ATOM 2928 C4 G 139 13.745 3.921 -7.083 1.00 43.07 6

ATOM 2929 N3 G 139 14.439 3.694 -8.217 1.00 41.71 7

ATOM 2930 C2 G 139 14.875 2.451 -8.289 1.00 42.06 6

ATOM 2931 N2 G 139 15.579 2.059 -9.353 1.00 42.29 7

ATOM 2932 Nl G 139 14.652 1.501 -7.321 1.00 42.13 7

ATOM 2933 C6 G 139 13.940 1.712 -6.144 1.00 42.51 6

ATOM 2934 06 G 139 13.797 0.785 -5.335 1.00 41.89 8

ATOM 2935 C5 G 139 13.461 3.047 -6.057 1.00 42.46 6

ATOM 2936 N7 G 139 12.712 3.675 -5.072 1.00 42.54 7

ATOM 2937 C8 G 139 12.564 4.896 -5.509 1.00 43.29 6

ATOM 2938 C2* G 139 12.028 6.519 _r8.408 1.00 48.76 6

ATOM 2939 02* G 139 12.420 7.355 -9.482 1.00 48.21 8

ATOM 2940 C3* G 139 11.029 7.190 -1.All 1.00 49.45 6

ATOM 2941 O3* G 139 10.034 7.849 -8.266 1.00 51.00 8

ATOM 2942 P C 140 9.007 6.986 -9.183 1.00 51.55 15

ATOM 2943 O1P C 140 8.371 7.972 -10.089 1.00 50.89 8

ATOM 2944 O2P C 140 8.154 6.107 -8.334 1.00 50.70 8

ATOM 2945 05* C 140 9.917 6.039 -10.091 1.00 51.49 8

ATOM 2946 C5* C 140 10.186 6.361 -11.457 1.00 50.94 6

ATOM 2947 C4* C 140 10.644 5.129 -12.211 1.00 50.97 6

ATOM 2948 O4* C 140 11.708 4.487 -11.458 1.00 50.25 8

ATOM 2949 Cl* C 140 11.705 3.088 -11.716 1.00 50.14 6

ATOM 2950 Nl C 140 11.553 2.369 -10.446 1 00 49.06 7

ATOM 2951 C6 C 140 10.795 2.891 -9.438 1 00 49.04 6 ATOM 2952 C2 C 140 12.182 1.119 -10.287 1.00 49.38

ATOM 2953 02 C 140 12.883 0.672 -11.206 1.00 49.72

ATOM 2954 N3 C 140 12.006 0.434 -9.136 1.00 48.83 7

ATOM 2955 C4 C 140 11.244 0.946 -8.166 1.00 48.87 6

ATOM 2956 N4 C 140 11.078 0.225 -7.054 1.00 47.80 7

ATOM 2957 C5 C 140 10.613 2.220 -8.293 1.00 48.98 6

ATOM 2958 C2* C 140 10.532 2.807 -12.653 1.00 50.93 6-

ATOM 2959 02* C 140 10.995 2.747 -13.987 1.00 50.34 8

ATOM 2960 C3* C 140 9.632 4.006 -12.375 1.00 51.74 6

ATOM 2961 O3* C 140 8.737 4.236 -13.458 1.00 52.80 8

ATOM 2962 P A 141 7.384 3.368 -13.568 1.00 53.64 15

ATOM 2963 O1P A 141 6.683 3.822 -14.795 1.00 54.51 8

ATOM 2964 O2P A 141 6.676 3.407 -12.266 1.00 53.00 8

ATOM 2965 O5* A 141 7.890 1.875 -13.821 1.00 53.93 8

ATOM 2966 C5* A 141 8.377 1.481 -15.104 1.00 53.92 6

ATOM 2967 C4* A 141 8.836 0.041 -15.080 1.00 53.79 6

ATOM 2968 04* A 141 9.911 ^•0.102 -14.114 1.00 53.00 8

ATOM 2969 Cl* A 141 9.854 1.393 -13.525 1.00 52.77 6

ATOM 2970 N9 A 141 9.616 ^•1.239 -12.091 1.00 51.11 7

ATOM 2971 C4 A ^' 141 9.805 ^■2.208 -11.135 1.00 49.51 6

ATOM 2972 N3 A 141 10.265 ^•3.457 -11.320 1.00 48.40 7

ATOM 2973 C2 A 141 10.299 ^•4.119 -10.166 1.00 47.75 6

ATOM 2974 Nl A 141 9.954 ^•3.705 -8.938 1.00 47.63 7

ATOM 2975 C6 A 141 9.498 ^•2.442 -8.787 1.00 48.09 6

ATOM 2976 N6 A 141 9.160 ^•2.026 -7.565 1.00 47.10 7

ATOM 2977 C5 A 141 9.410 ^•1.638 -9.937 1.00 48.56 6

ATOM 2978 N7 A 141 8.992 ^■0.330 -10.131 1.00 49.69 7

ATOM 2979 C8 A 141 9.139 0.140 -11.421 1.00 51.03 6

ATOM 2980 C2* A 141 8.707 ^■2.145 -14.198 1.00 53.66 6

ATOM 2981 O2* A 141 9.208 -2 904 -15.278 1.00 53.60 8

ATOM 2982 C3* A 141 7.813 0.991 -14.632 1.00 54.38 6

ATOM 2983 O3* A 141 6.939 ^•1.371 -15.692 1.00 55.57 8

ATOM 2984 P G 142 5.434 ^•1.832 -15.356 1.00 56.49 15

ATOM 2985 O1P G 142 4.760 2.077 -16.656 1.00 56.67 8

ATOM 2986 02P G . 142 4.842 ^■0.872 -14.385 1.00 55.94 8

ATOM 2987 O5* G 142 5.604 ^■3.241 -14.631 1.00 56.32 8

ATOM 2988 C5* G 142 5.994 4.393 -15.373 1.00 55.72 6

ATOM 2989 C4* G 142 6.187 5.578 -14.454 1.00 55.20 6

ATOM 2990 O4* G 142 7, 228 5.273 -13.485 1.00 54.54 8

ATOM 2991 Cl* G 142 6, 990 6.007 -12.294 1.00 52.98 6

ATOM 2992 N9 G 142 6.824 5.073 -11.190 1..00 49.79 7

ATOM 2993 C4 G 142 6.961 ^■5.374 -9.860 1..00 48.10 6

ATOM 2994 N3 G 142 7.297 6.577 -9.354 1.00 46.70 7

ATOM 2995 C2 G 142 7.341 6.563 -8.032 1.00 46.40 6

ATOM 2996 N2 G 142 7.658 7.683 -7.366 1.00 45.72 7

ATOM 2997 Nl G 142 7, 077 5.453 -7.267 1.00 45.33 7

ATOM 2998 C6 G 142 6.729 4.204 -7.768 1.00 46.84 6

ATOM 2999 O6 G 142 6.512 3.269 -6.991 1.00 47.84 8

ATOM 3000 C5 G 142 6.677 4.206 -9.188 1.00 47.60 6

ATOM ^' 3001 N7 . G 142 6.377 -3 185 -10.080 1.00 48.17 7

ATOM 3002 C8 G 142 6.482 3.745 -11.257 1.00 49.16 6

ATOM 3003 C2* G 142 5.711 6.813 -12.516 1.00 54.31 6

ATOM 3004 02* G 142 6.048 8.101 -12.988 1.00 54.53 8

ATOM 3005 C3* G 142 5.014 -5 964 -13.569 1.00 55.12 6

ATOM 3006 O3* G 142 4.035 6.717 -14.269 1.00 56.64 8

ATOM 3007 P G 143 2.508 6.718 -13.750 1.00 57.84 15

ATOM 3008 O1P G 143 .1.733 7.448 -14.789 1.00 57.77

ATOM 3009 O2P G 143 2.116 5.332 -13.379 1.00 57.59

ATOM 3010 O5* G 143 2.540 -7.599 -12.420 1.00 56.10 ATOM 3011 C5* G 143 2.907 -8.971 -12.478 1.00 55.51 6

ATOM 3012 C4* G 143 3-254 -9.496 -11.103 1.00 55.17 6

ATOM 3013 04* G 143 4.297 -8.674 -10.514 1.00 53.81 8

ATOM 3014 Cl* G 143 4.182 -8.711 -9.100 1.00 52.41 6

ATOM 3015 N9 G 143 3.958 -7.356 -8.615 1.00 49.73 7

ATOM 3016 C4 G 143 3.964 -6.957 -7.297 1.00'47.53 6

ATOM 3017 N3 G 143 4.187 -7.754 -6.228 1.00 45.71 7

ATOM 3018 C2 G 143 4.129 -7.081 -5.090 1.00 43.93 6

ATOM 3019 N2 G 143 4.325 -7.721 -3.923 1.00 42.06 7

ATOM 3020 Nl G 143 3.875 -5.736 -5.010 1.00 42.74 7

ATOM 3021 C6 G 143 3.648 -4.895 -6.094 1.00 43.96 6

ATOM 3022 06 G 143 3.438 -3.689 -5.906 1.00 43.20 8

ATOM 3023 C5 G 143 3.703 -5.604 -7.323 1.00 45.84 6

ATOM 3024 N7 G 143 3.536 -5.160 -8.630 1.00 46.70 7

ATOM 3025 C8 G 143 3..695 -6.232 -9.360 1.00 48.07 6

ATOM 3026 C2* G 143 3..000 -9.621 -8.776 1.00 54.12 6

ATOM 3027 02* G 143 3.464 -10.943 -8.596 1.00 54.11 8

ATOM 3028 C3* G 143 2.168 -9-476 -10.040 1.00 55.37 6

ATOM 3029 O3* G 143 1.271 -10.571 -10.169 1.00 57.28 8

ATOM 3030 P A 144 -0.207 -10.466 -9.540 1.00 59.06 15

ATOM 3031 O1P A 144 -0.920 -11.711 -9.933 1.00 59.17 8

ATOM 3032 O2P A 144 -0.784 -9.140 -9.890 1.00 57.71

ATOM 3033 05* A 144 0.021 -10.491 -7.961 1.00 59.54

ATOM 3034 C5* A 144 0.555 -11.641 -7.304 1.00 60.26 6

ATOM 3035 C4* A 144 0.690 -11.380 -5.816 1.00 61.23 6

ATOM 3036 O4* A 144 1.584 -10.253 -5.608 1.00 60.69 8

ATOM 3037 Cl*- A 144 1.178 -9.526 -4.459 1.00 59.82 6

ATOM 3038 N9 A 144 0.939 .136 -4.847 1.00 57.36 7

ATOM 3039 C4 A 144 0.898 -7..057 -3.997 1.00 54.80 6

ATOM 3040 N3 A 144 1.050 -7.065 -2.661 1.00 52.72 7

ATOM 3041 C2 A 144 0.958 -5.831 -2.172 1.00 51.53 6

ATOM 3042 Nl A 144 0.749 -4.676 -2.817 1.00 51.41 7

ATOM 3043 C6 A 144 0.599 -4.704 -4.160 1.00 51.85 6

ATOM 3044 N6 A 144 0.391 -3.556 -4.803 1.00 49.34 7

ATOM 3045 C5 A 144 0.673 -5.952 -4.800 1.00 53.23 6

ATOM 3046 N7 A 144 0.563 -6.326 -6.132 1.00 54.11 7

ATOM 3047 C8 A 144 0.725 -7.628 -6.107 1.00 55.89 6

ATOM 3048 C2* A 144 -0.052 -10.223 -3.875 1.00 61.34 6

ATOM 3049 02* A 144 0.341 -11.078 -2.823 1.00 61.80 8

ATOM 3050 C3* A 144 -0.585 -10.979 -5.089 1.00 62.42 6

ATOM 3051 03* A 144 -1.,336 -12.124 -4.693 1.00 64.74 8

ATOM 3052 P A 145 -2..916 -11.983 -4.394 1.00 67.12 15

ATOM 3053 OlP A 145 -3.503 -11.036 -5.384 1.00 66.34 8

ATOM 3054 02P A 145 -3..490 -13.354 -4.253 1.00 66.43 8

ATOM 3055 O5* A 145 -2..990 -11.270 -2.971 1.00 65.39 8

ATOM 3056 C5* A 145 -4..208 -10.689 -2.522 1.00 63.91 6

ATOM 3057 C4* A 145 4.050 -10.180 -1.116 1.00 62.57 6

ATOM 3058 O4* A 145 2.738 -9.575 -0.998 1.00 61.71 8

ATOM 3059 Cl* A 145 2.868 -8.267 -0.478 1.00 60.98 6

ATOM 3060 N9 A 145 2.783 -7 352 -1.618 1.00 58.62 7

ATOM 3061 C4 A 145 2.572 -5 997 -1.584 1.00 56.48 6

ATOM 3062 N3 A 145 2.352 -5.233 -0.503 1.00 55.64 7

ATOM 3063 C2 A 145 2.222 -3.954 -0.854 1.00 54.89 6

ATOM 3064 Nl A 145 -2.284 -3.399 -2.068 1.00 53.51 7

ATOM 3065 C6 A 145 -2 506 -4.198 -3.132 1.00 54.40 6

ATOM 3066 N6 A 145 -2 576 -3.648 -4.341 1.00 54.86 7

ATOM 3067 C5 A 145 2.655 -5.570 -2.898 1.00 55.39 6

ATOM 3068 N7 A 145 2.882 -6.639 -3.750 1.00 55.66 7

ATOM 3069 C8 A 145 2.941 -7.671 -2.948 1.00 57.90^' ATOM 3070 C2* A 145 -4.242 -8.225 0.206 1.00 61.56 6 ATOM 3071 02* A 145 -4.197 -8.769 1.514 1.00 60.83 8 ATOM 3072 C3* A 145 -5.053 -9.097 -0.737 1.00 61.98 6 ATOM 3073 03* A 145 -6.208 -9.644 -0.111 1.00 61.42 8 ATOM 3074 Cl GLP 2616 44.874 10.914 14.213 1.00 39.20 6 ATOM 3075 C2 GLP 2616 43.735 11.871 13.754 1. 00 39.39 6 ATOM 3076 C3 GLP 2616 43.684 11.849 12.212 1.00 40.66 6 ATOM 3077 C4 GLP 2616 45.028 12.325 11.689 1.00 40.72 6 ATOM 3078 C5 GLP 2616 46.131 11.385 12.211 1.00 40.70 6 ATOM 3079 C6 GLP 2616 47.465 11.928 11.704 1, 00 42.33 6 ATOM 3080 Ol GLP 2616 44.631 9.552 13.795 1.00 35.67 8 ATOM 3081 O2 GLP 2616 42.446 11.418 14.291 1.00 38.45 7 ATOM 3082 03 GLP 2616 42.668 12.726 11.738 1.00 42.14 8 ATOM 3083 04 GLP 2616 45.005 12.297 10.260 1.00 44.14 8 ATOM 3084 O5 GLP 2616 46.141 11.399 13.663 1.00 39.34 8 ATOM 3085 06 GLP 2616 48.582 11.155 12.139 1.00 42.89 8 ATOM 3086 P GLP 2616 49.881 11.923 11.557 1,.00 41.76 15 ATOM 3087 O1P GLP 2616 49.919 13.298 12.095 1,.00 41.01 8 ATOM 3088 O2P GLP 2616 51.218 11.135 11.988 1.00 43.32 8 ATOM 3089 O3P GLP 2 2661166 49.799 11.998 9.950 1.00 44.01 8 ATOM 3090 MG MG 990011 45.664 13.081 23.989 1. 00 39.88 12 ATOM 3091 MG MG 902 52.642 22.685 20.283 1.00 24.92 12 ATOM 3092 O HOH 401 45.443 14.878 23.090 1.00 12.76 8 ATOM 3093 O HOH 402 45.813 12.247 25.601 1.00 27.89 8 ATOM 3094 O HOH 403 41.010 6.682 14.181 1, 00 21.58 8 ATOM 3095 O HOH 404 40.733 10.103 12.881 1, 00 15.86 8 ATOM 3096 O HOH 405 50.931 8.855 10.984 1.00 20.64 8 END

Subsequent to the foregoing, we succeeded in stabilizing our crystals of the T. tengcongensis glmS ribozyme at pH 8.5, where the ribozyme attains maximum activity and binds GlcN6P tightest. Cleavage of the substrate RNA was blocked by replacing the 2'-OH of residue A(-l) with a 2'-H. Diffraction data collected from such crystals (set forth in the Table below) revealed unambiguous electron density for GlcN6P, allowing us to refine a structure of the glmS ribozyme bound to its catalytic cofactor at 1.7 A resolution. The high resolution of this new structure provides a much more precise structural characterization of the active site of the glmS ribozyme.

Our structures of the glmS ribozyme bound to the activator GlcN6P and the inhibitor Glc6P are identical to within the precision of the crystallographic models. The only difference we observe between the conformations of GlcόP and GlcN6P is a rotation of the C4-C5-C6-O6 dihedral angle (180° in Glc6P versus 60° in GlcN6P). However, a value of 60° for this dihedral angle in Glc6P appears to better explain the electron density we previously observed for GlcόP at 2.7 A resolution. We therefore conclude that at the current resolution limits the nucleotides that bind Glc6P and GlcN6P, as well as the small molecules themselves, are structurally indistinguishable.

As shown in Figure 6, the activator GlcN6P occupies the coenzyme pocket of the glmS ribozyme at high pH. Ribozymes were assembled with (A) 2'-deoxy-A(-l), (B) T- amino-A(-l), or (C) 2'-fluoro-A(-l) inhibitors. Simulated-annealing omit |Fo| - |Fc| electron density maps (Brunger, A.T. et al. (1998) Acta Crystallogr. D54, 905-92) are contoured at 3.7σ, 2.5σ, and 4σ (blue mesh in A, B, C, respectively) and at 7σ, 5σ, and 7σ (red mesh in A, B, C, respectively). Ribozyme KNA (green), substrate RNA (orange), water molecules (red spheres) and divalent cations (silver spheres) are shown. In all figures, the scissile phosphate is flanked by an asterisk. The position of the nucleophile of the transesterification reaction (replaced in these RNA inhibitors) is marked (#). The distances from the 2 '-amine and 2'- fluoro functional groups to water molecule 2 (W2) are 3.4A and 2.7A, respectively. Figures prepared with PyMOL (DeLano, WX. The PyMOL Molecular Graphics System, (DeLano Scientific, San Carlos, 2002)).

These data are consistent with those of J. Cochrane et al., Structural investigation of the GImS ribozyme bound to its catalytic cofactor, Chem. Biol 14, 97-105 (Jan. -2007).

Table: 1.7 Angstrom Diffraction Data

ATOM 1 O O55'¹ A ADDEE 200 40.138 7 . 343 22.259 1.00 40.34 ATOM 2 N N99 A ADDEE 200 41.896 4 . 652 18.700 1.00 37.13 ATOM 3 C C44 A ADDEE 200 42.871 3.820 18.207 1.00 35.77 ATOM 4 N N33 A ADDEE 200 44.061 4 . 181 17.694 1.00 35.34 ATOM 5 C C22 A ADDEE 200 44.742 3. 113 17.293 1.00 33.72 ATOM 6 N Nll A ADDEE 200 44.392 1 . 825 17.337 1.00 35.92 ATOM 7 C C66 A ADDEE 200 43.187 1. 494 17.852 1.00 37.05 ATOM 8 N N66 A ADDEE 200 42.835 0. 205 17.874 1.00 36.48 ATOM 9 C C55 ADE 200 42.371 2. 540 18.327 1.00 36.13 ATOM 10 N N77 ADE 200 41.109 2. 561 18.909 1.00 36.39 ATOM 11 C8 ADE 200 40.877 3, . 834 19.116 1.00 35.27 ATOM 12 C2¹ ADE 200 40.868 6.. 807 17.972 1.00 34.62 ATOM 13 C5¹ ADE 200 39.894 7 . 475 20.867 1.00 38.57 ATOM 14 C4' ADE 200 41.170 7 . 781 20^'.121 1.00 36.13 ATOM 15 O4¹ ADE 200 41.964 6. 571 20.050 1.00 36.70 ATOM 16 Cl¹ ADE 200 41.988 6. 104 18.707 1.00 35.31 ATOM 17 C3⁽ ADE 200 40.876 8 . 149 18.667 1 1.,00 34.79 ATOM 18 03' ADE 200 41.956 8 . 904 18.137 11.,00 32.69 ATOM 19 P GUA 201 41.842 9 . 527 16.664 1.00 31.29 ATOM 20 O1P GUA 201 40.395 9. 702 16.360 1.00 28.75 ATOM 21 O2P GUA 201 42.690 8 . 720 15.748 1.00 30.74 ATOM 22 05' GUA 201 42.531 10. 953 16.861 1.00 30.51 ATOM 23 C5¹ GOA 201 42.233 11.747 18.018 1.00 31.72

ATOM 24 C4' GUA 201 43.488 11.991 18.839 1.00 32.34

ATOM 25 04' GUA 201 44.538 12.475 17.971 1.00 30.90

ATOM 26 Cl¹ GUA 201 44.814 13.821 18.255 1.00 32.60

ATOM 27 N9 GUA 201 45.072^' 14.506 17.001 1.00 32.31

ATOM 28 C4 GUA 201 46.120 14.228 16.163 1.00 33.56

ATOM 29 N3 GUA 201 47.083 13.298 16.382 1.00 32.83

ATOM 30 C2 GUA 201 47.949 13.241 15.385 1.00 32.38

ATOM 31 N2 GUA 201 48.975 12.371 15.437 1.00 31.19

ATOM 32 Nl GUA 201 47.875 14.028 14.261 1.00 33.96

ATOM 33 C6 GUA 201 46.894 14.987 14.014 1.00 36.17

ATOM 34 O6 GUA 201 46.919 15.637 12.960 1.00 38.10

ATOM 35 C5 GUA 201 45.962 15.065 15.084 1.00 34.82

ATOM 36 N7 GUA 201 4-4.846 15.879 15.254 1.00 34.78

ATOM 37 C8 GUA 201 44.353 15.515 16.405 1.00 32.89

ATOM 38 C2' GUA 201 43.772 14.366 19.234 1.00 32.14

ATOM 39 02 ' GUA 201 44.437 15.194 20.155 1.00 35.54

ATOM 40 C3¹ GUA 201 43.257 13.082 19.883 1. .0000 3322..1100

ATOM 41 O3' GUA 201 43.889 12.810 21.142 1..0000 3322..9955

ATOM 42 P CYT 202 43.205 11.829 22.215 1.00 34.16

ATOM 43 O1P CYT 202 43.800 12.163 23.529 1.00 33.62

ATOM 44 O2P CYT 202 41.734 11.871 22.040 1.00 32.38

ATOM 45 O5¹ CYT 202 43.714 10.372 21.807 1.00 33.92

ATOM ^•46 C5' CYT 202 45.102 10.065 21.782 1.00 33.73

ATOM 47 C4' CYT 202 45.317 8.572 21.664 1.00 34.03

ATOM 48 O4¹ CYT 202 44.782 8.089 20.397 1.00 35.55

ATOM 49 Cl¹ CYT 202 45.671 7.133 19.839 1.00 33.64

ATOM- 50 Nl CYT 202 46.227 7.700 18.606 1.00 33.03

ATOM 51 C6 CYT 202 45.933 8.981 18.230 1.00 33.36

ATOM 52 C2 CYT 202 47.076 6.907 17.821 1.00 31.23

ATOM 53 02 CYT 202 47.303 5.744 18.179 1.00 29.45

ATOM 54 N3 CYT 202 47.620 7.427 16.699 1.00 31.36

ATOM 55 C4 CYT 202 47.329 8.686 16.341 1.00 34.78

ATOM 56 N4 CYT 202 47.879 9.167 15.219 1.00 34.47

ATOM 57 C5 CYT 202 46.459 9.510 17.115 1.00 33.73

ATOM 58 C2' CYT 202 46.757 6.853 20.883 00 33.08

ATOM 59 02' CYT 202 46.376 5.755 21.689 1. 00 30.70

ATOM 60 C3' CYT 202 46.785 8.176 21.640 1.00 33.06

ATOM 61 O3' CYT 202 47.255 8.031 22.975 1.00 33.13

ATOM 62 P GUA 203 48.767 8.429 23.339 1.00 34.32

ATOM 63 O1P GUA 203 49.180 9.537 22.449 1.00 32.19

ATOM 64 02P GUA 203 48.824 8.611 24.819 1.00 31.85

ATOM 65 O5' GUA 203 49.608 7.135 22.936 1.00 32.30

ATOM 66 C5¹ GUA 203 49.443 5.910 23.641 1.00 33.85

ATOM 67 C4' GUA 203 ^' 50.313 4.837 23.028 1.00 34.63

ATOM 68 O4' GUA 203 49.836 4.542 21.687 1.00 34.42

ATOM 69 Cl¹ GUA 203 50.941 4.252 20.839 1.00 34.86

ATOM 70 N9 GUA 203 51.027 5.310 19.849 1.00 33.48

ATOM 71 C4 GUA 203 51.807 5.325 18.723 1. ,00 33.29

ATOM 72 N3 GOA 203 52.642 4.338 18.325 1..00 33.83

ATOM 73 C2 GUA 203 53.263 4.644 17.195 1..00 34.66

ATOM 74 N2 GUA 203 54.139 3.779 16.655 1, .00 34.74

ATOM 75 Nl GUA 203 53.072 5.820 16.509 00 34.48

ATOM 76 C6 GUA 203 52.216 6.845 16.902 00 32.98

ATOM 77 06 GUA 203 52.116 7. .860 16.212 00 32.28

ATOM 78 C5 GUA 203 51.554 6, .532 18.112 ,00 32.90

ATOM 79 N7 GUA 203 50.631 7.267 18.845 .00 33.18

ATOM 80 C8 . GUA 203 50.345 6.504 19.860 .00 33.17

ATOM 81 C2' GUA 203 52.183 4.228 21.730 1.00 35.69 ATOM 82 O2¹ GUA 203 52.386 2.914 22.225 1.00 34.61

ATOM 83 C3¹ GUA 203 51.768 5.218 22.808 1.00 35.10

ATOM 84 O3¹ GUA 203 52.536 5.079 23.987 1.00 36.39

ATOM 85 P CYT 204 53.799 6.039 24.222 1.00 37.80

ATOM 86 O1P CYT 204 53.458 7.393 23.700 00 37.49

ATOM 87 O2P CYT 204 54.233 5.883 25.633 00 36.97

ATOM 88 os- CYT 204 54.912 5.436 23.261 00 37.74

ATOM 89 cs' CYT 204 55.186 4.044 23.253 00 39.26

ATOM 90 C4¹ CYT 204 56.073 3.709 22.085 00 39.54

ATOM 91 O4⁽ CYT 204 55.348 3.913 20.845 00 38.76

ATOM 92 Cl¹ CYT 204 56.228 4.429 19.861 00 •38.84

ATOM 93 Nl CYT 204 55.732 5.750 19.447 00 36.93

ATOM 94 C6 CYT 204 54.847 6.450 20.221 00 36.11

ATOM 95 C2 CYT 204 56.171 6.266 18.239 00 34.97

ATOM 96 O2 CYT 204 56.983 5..607 17.578 00 33.53

ATOM 97 N3 CYT 204 55.702 7.464 17.819 00 33.76

ATOM 98 C4 CYT 204 54.826 8.136 18.570 00 34.26

ATOM 99 N4 CYT 204 54.378 9.308 18.110 00 33.69

ATOM 100 C5 CYT 204 54.370 7.636 19.823 00 34.62

ATOM 101 C2' CYT 204 57.627 4.478 20.474 00 39.58

ATOM 102 O2^f CYT 204 58.323 3.297 20.124 00 39.01

ATOM 103 C3' CYT 204 57.295 4.598 21.958 00 40.56

ATOM 104 03' CYT 204 58.328 4.125 22.812 00 42.66

ATOM 105 P CYT 205 59.557 5.083 23.167 00 45.53

ATOM 106 O1P CYT 205 59.028 6.294 23.851 00 43.74

ATOM 107 O2P CYT 205 60.624 4.273 23.814 00 44.96

ATOM 108 O5' CYT 205 60.064 5.511 21.731 00 45.27

ATOM 109 C5' CYT 205 61.203 6.311 21.584 00 48.61

ATOM 110 CA ' CYT 205 61.880 5.984 20.289 00 49.52

ATOM 111 O4 ' CYT 205 60.942 6.214 19.201 00 47.76

ATOM 112 Cl' CYT 205 61.291 7.390 18.482 00 47.68

ATOM 113 Nl CYT 205 60.134 8.306 18.516 1.00 41.97

ATOM 114 C6 CYT 205 59.196 8.208 19.504 1.00 40.31

ATOM 115 C2 CYT 205 60.010 9.290 17.518 1.00 40.18

ATOM 116 O2 CYT 205 60.871 9.357 16.628 1.00 37.70

ATOM 117 N3 CYT 205 58.954 10.139 17.554 1.00 36.14

ATOM 118 C4 CYT 205 58.048 10.036 18.532 1.00 37.00

ATOM 119 N4 CYT 205 57.025 10.899 18.538 1.00 35.88

ATOM 120 C5 CYT 205 58.148 9.042 19.551 1.00 37.97

ATOM 121 C2' CYT 205 62.565 8.000 19.081 1. .00 50.57

ATOM 122 O2¹ CYT 205 63.487 8.253 18.038 1..00 54.06

ATOM 123 C3' CYT 205 63.046 6.896 20.015 1..00 51.30

ATOM 124 O3' CYT 205 64.378 6.487 20.305 1..00 56.07

ATOM 125 P URI 206 65.275 5.800 19.164 1..00 59.15

ATOM ' 126 O1P URI 206 66.095 4.784 19.865 1..00 59.29

ATOM 127 O2P URI 206 64.394 5.379 18.042 1..00 58.80

ATOM 128 O5' URI 206 66.217 6.985 18.661 1.00 59.44

ATOM 129 C5' URI 206 67.566 7.093 19.105 1.00 60.09

ATOM 130 C4¹ URI 206 68.471 7.343 17.926 1.00 60.59

ATOM 131 O4 ' URI 206 68.244 6.284 16.952 1.00 62.16

ATOM 132 Cl" URI 206 68.258 6.822 15.639 .00 61.89

ATOM 133 C2¹ URI 206 68.704 8.281 15.763 .00 61.29

ATOM 134 O2¹ URI 206 70.115 8.343 15.670 .00 62.10

ATOM 135 C3¹ URI 206 68.198 8.630 17.159 .00 60.12

ATOM 136 03' URI 206 68.941 9.713 17.715 .00 57.29

ATOM 137 P GUA 207 68.259 11.162 17.869 .00 55.23

ATOM 138 O1P GUA 207 69.312 12.096 18.322 .00 55.47

ATOM 139 O2P GUA 207 67.014 11.011 18.673 .00 55.63

ATOM 140 O5' GUA 207 67.846 11.578 16.388 1.00 53.54 ATOM 141 C5' GUA 207 68.817 11.667 15.349 00 50.31

ATOM 142 C4¹ GUA 207 68.328 12.593 14.259 00 48.18

ATOM 143 04' GUA 207 67.029 12.129 13.804 00 47.44

ATOM 144 Cl¹ GUA 207 66.206 13.240 13.496 00 46.94

ATOM 145 N9 - GUA 207 65.089 13.259 14.436 00 45.92

ATOM 146 C4 GUA 207 64.025 14.126 14.405 1.00 44.55

ATOM 147 N3 GUA 207 ^'63.826 15.098 13.490 00 42.08

ATOM 148 C2 GUA 207 62.714 15.774 13.719 00 41.58

ATOM 149 N2 GUA 207 62.363 16.778 12.896 00 38.46

ATOM 150 Nl GUA 207 61.862 15.517 14.771 00 41.96

ATOM 151 C6 GUA 207 62.049 14.523 15.729 00 42.81

ATOM 152 06 GUA 207 61.221 14.378 16.639 00 40.64

ATOM 153 C5 GUA 207 63.242 13.785 15.489 00 44.20

ATOM 154 N7 GUA 207 63.801 12.719 16.184 00 44.74

ATOM 155 C8 GUA 207 64.892 12.439 15.524 00 45.57

ATOM 156 C2' GUA 207 67.073 14.491 13.635 00 47.28

ATOM 157 02' GUA 207 67.685 14.797 12.404 00 46.83

ATOM 158 C3¹ GUA 207 68.075 14.031 14.679 00 46.71

ATOM 159 O3' GUA 207 69.259 14.806 14.603 1.00 45.48

ATOM 160 P GUA 208 69.557 15.909 15.729 1.00 45.02

ATOM 161 O1P GUA 208 69.332 15.271 17.052 1.00 44.94

ATOM 162 O2P GUA 208 70.867 16.546 15.430 1.00 44.31

ATOM 163 05' GUA 208 68.410 16.990 15.516 1.00 43.25

ATOM 164 C5' GUA 208 68.298 17.707 14.292 1.00 42.75

ATOM 165 C4' GUA 208 67.021 18.501 14.283 00 41.24

ATOM 166 O4' GUA 208 65.898 17.582 14.344 00 41.27

ATOM 167 Cl' GUA 208 64.871 18.138 15.154 00 39.88

ATOM 168 N9 GUA 208 64.667 17.261 16.304 00 37.48

ATOM 169 C4 GUA 208 63.600 17.294 17.172 00 36.24

ATOM 17.0 N3 GUA 208 62.555 18.146 17.109 00 34.31

ATOM 171 C2 GUA 208 61.683 17.937 18.087 00 34.52

ATOM 172 M2 GUA 208 60.583 18.693 18.168 00 32.59

ATOM 173 Nl GUA 208 61.828 16.972 19.057 00 33.26

ATOM 174 C6 GUA 208 62.894 16.088 19.151 00 35.09

ATOM 175 O6 GUA 208 62.927 15.263 20.078 00 36.18

ATOM 176 C5 GUA 208 63.842 16.295 18.094 00 35.63

ATOM 177 N7 GUA 208 65.038 15.646 17.811 00 36.02

ATOM 178 C8 GUA 208 65.491 16.250 16.744 00 35.21

ATOM 179 C2' GUA 208 65.324 19.546 15.554 00 39.95

ATOM 180 02' GUA 208 64.840 20.495 14.619 00 39.53

ATOM 181 C3' GUA 208 66.836 19.391 15.500 00 41.03

ATOM 182 O3' GUA 208 67.497 20.634 15.324 00 41.54

ATOM 183 P ADE 209 68.256 21.312 16.567 00 43.19

ATOM 184 O1P ADE 209 69.114 20.282 17.203 00 42.45

ATOM 185 02P ADE 209 68.860 22.592 16.098 00 43.85

ATOM 186 05' ADE 209 67.088 21.658 17.585 00 41.93

ATOM 187 C5¹ ADE 209 66.139 22.668 17.284 00 40.65

ATOM 188 C4' ADE 209 65.065 22.687 18.336 00 39.32

ATOM 189 04 ' ADE 209 64.325 21.437 18.284 00 37.23

ATOM 190 Cl¹ ADE 209 63.951 21.053 19.599 00 38.02

ATOM 191 N9 ADE 209 64.599 19.778 ^' 19.909 00 37.94

ATOM 192 C4 ADE 209 64.305 18.953 20.970 00 37.20

ATOM 193 N3 ADE 209 63.366 19.142 21.915 00 36.89

ATOM 194 C2 ADE 209 63.371 18.136 22.788 00 33.99

ATOM 195 Nl ADE 209 64.144 17.049 22.819 00 34.59

ATOM 196 C6 ADE 209 65.077 16.888 21.857 00 34.82

ATOM 197 N6 ADE 209 65.852 15.800 21.890 1.00 33.24

ATOM 198 C5 ADE 209 65.177 17.884 20.872 1.00 36.16

ATOM 199 N7 ADE 209 66.001 18.023 19.762 1.00 36.07 ATOM 200 C8 ADE 209 65.621 19.159 19.228 00 37.91

ATOM 201 C2' ADE 209 64.403 22.178 20.532 00 37.90

ATOM ^'202 02' ADE 209 63.361 23.123 20.675 00 35.93

ATOM 203 C3' ADE 209 65.588 22.730 19.758 .00 38.87

ATOM 204 O3^« ADE 209 65.912 24.056 20.140 ,00 41.10

ATOM 205 P CYT 210 67.208 24.330 21.058 ,00 43.02

ATOM 206 O1P CYT 210 68.323 23.446 20.620 ,00 41.69

ATOM 207 O2P CYT 210 67.408 25.801 21.099 ,00 42.76

ATOM 208 O5' CYT 210 66.761 23.841 22.504 .00 41.09

ATOM 209 C5¹ CYT 210 65.705 24.495 23.197 1.00 39.83

ATOM 210 C4¹ CYT 210 65.261 23.658 24.376 00 38.68

ATOM 211 O4" CYT 210 64.742 22.381 23.903 00 38.25

ATOM 212 Cl¹ CYT 210 65.043 21.366 24.850 00 37.92

ATOM 213 Nl CYT 210 65.972 20.414 24.228 ,00 37.36

ATOM 214 C6 CYT 210 66.652 20.734 23.088 ,00 37.29

ATOM 215 C2 CYT 210 66.159 19.181 24.835 ,00 36.71

ATOM 216 O2 CYT 210 65.512 18.921 25.862 ,00 37.23

ATOM 217 N3 CYT 210 67.033 18.301 24.294 ,00 36.23

ATOM 218 C4 CYT 210 67.701 18.625 23.186 ,00 35.78

ATOM 219 N4 CYT 210 68.563 17.735 22.690 ,00 36.35

ATOM 220 C5 CYT 210 67.518 19.877 22.539 ,00 37.14

ATOM 221 C2' CYT 210 65.695 22.062 26.044 00 37.57

ATOM 222 O2' CYT 210 64.680 22.439 26.951 00 36.12

ATOM 223 C3' CYT 210 66.354 23.250 25.352 .00 38.06

ATOM 224 03' CYT 210 66.671 24.314 26.245 ,00 38.26

ATOM 225 P URl 211 68.124 24.378 ^■ 26.939 ,00 38.04

ATOM 226 O1P URI 211 69.156 23.942 25.967 1.00 37.39

ATOM 227 O2P URI 211 68.239 25.704 27.596 1. ,00 38.25

ATOM 228 O5¹ URI 211 68.045 23.273 28.080 1..00 37.79

ATOM 229 C5' URI 211 67.014 23.316 29.058 1.,00 37.05

ATOM 230 C4¹ URI 211 67.191 22.191 30.043 1.,00 35.89

ATOM 231 O4' URI 211 66.980 20.924 29.373 1..00 33.28

ATOM 232 Cl¹ URI 211 67.859 19.951 29.915 1..00 34.41

ATOM 233 Nl URI 211 68.688 19.433 28.817 1..00 34.06

ATOM 234 C6 URI 211 68.861 20.157 27.656 1.00 33.64

ATOM 235 C2 URI 211 69.249 18.180 28.964 1.00 35.39

ATOM 236 O2 URI 211 69.146 17.523 29.984 1. 00 36.71

ATOM 237 N3 URI 211 69.928 17.717 27.865 1.00 35.62

ATOM 238 C4 URI 211 70.103 18.369 26.660 1.00 35.15

ATOM 239 04 URI 211 70.682 17.789 ^■25.743 1.00 33.19

ATOM ^• 240 C5 URI 211 69.523 19.679 26.598 1.00 33.25

ATOM 241 C2¹ URI 211 68.609 20.617 31.073 1.00 35.37

ATOM 242 O2' URI 211 67.841 20.452 32.256 1.00 34.07

ATOM 243 C3' URI 211 68.588 22.072 30.630 1.00 36.02

ATOM 244 O3^> URI 211 68.718 22.954 31.735 1.00 38.34

ATOM 245 P URI 212 70.157 23.561 32.103 1.00 40.17

ATOM . 246 O1P URI 212 70.842 23.947 30.844 1.00 39.95

ATOM 247 02P URI 212 69.914 24.577 33.153 1.00 39.82

ATOM 248 05' URI .212 70.937 22.329 32.742 1.00 39.74

ATOM 249 C5' URI 212 70.493 21.764 33.969 1.00 41.14

ATOM 250 C4' URI 212 71.183 20.449 34.223 1.00 42.25

ATOM 251 04' URI 212 70.815 19.498 33.192 1.00 40.39

ATOM 252 Cl¹ URI 212 71.892 18.599 32.975 1.00 41.36

ATOM 253 Nl URI 212 72.262 18.653 31.553 1.00 39.66

ATOM 254 C6 URI 212 71.955 19.742 30.772 1.00 40.09

ATOM 255 C2 URI 212 72.918 17.562 31-021 1.00 39.85

ATOM 256 O2 URI 212 73.225 16.587 31.685 1, 00 41.57

ATOM 257 ^• N3 URI 212 73.201 17.651 29.682 1.00 38.01

ATOM 258 CA URI 212 72.908 18.699 28.840 1.00 39.46 ATOM 259 04 URI 212 73.216 18.620 27.649 1.00 40.77

ATOM 260 C5 URI 212 72.246 19.800 29.466 1.00 38.11

ATOM 261 C2^> URI 212 73.026 19.007 33.922 1.00 42.58

ATOM 262 O2' URI 212 72.951 18.237 35.105 1.00 42.15

ATOM 263 C3¹ URI 212 72.701 20.475 34.162 1.00 43.09

ATOM 264 03' URI 212 73.256 20.951 35.382 1.00 45.51

ATOM 265 P ADE 213 74.691 21.679 35.372 1.00 47.89

ATOM 266 O1P ADE 213 74.753 22.524 34.151 00 47.15

ATOM 267 O2P ADE 213 74.897 22.306 36.704 00 46.82

ATOM 268 os- ADE 213 75.717 20.474 35.203 00 47.95

ATOM 269 cs- ADE 213 75.851 19.492 36.229 00 50.46

ATOM 270 C4 ' ADE 213 76.748 18.367 35.769 00 51.63

ATOM 271 O4' ADE 213 76.108 17.656 34.677 00 51.04

ATOM 272 Cl¹ ADE 213 77.091 17.224 33.749 00 50.97

ATOM 273 N9 ADE 213 76.825 17.889 32.473 00 49.67

ATOM 274 C4 ADE 213 77.187 17.446 31.224 1.00 48.75

ATOM 275 N3 ADE 213 77.862 16.324 30.921 1.00 48.75

ATOM 276 C2 ADE 213 18.021 16.219 29.602 1.00 49.39

ATOM 277 Nl ADE 213 77.622 17.046 28.627 1.00 48.64

ATOM 278 C6 ADE 213 76.946 18.165 28.969 1. 00 48.22

ATOM 279 N6 ADE 213 76.541 18.990 28.002 1.00 47.46

ATOM 280 C5 ADE 213 76.709 18.392 30.334 1.00 48.47

ATOM 281 N7 ADE 213 76.063 19.418 31.009 1.00 47.71

ATOM 282 C8 ADE 213 76.160 19.074 32.270 1.00 48.87

ATOM 283 C2- ADE 213 78.457 17.580 34.342 1.00 51.20

ATOM 284 02' ADE 213 78.930 16.487 35.103 1.00 50.54

ATOM 285 C3' ADE 213 78.097 18.780 35.204 1.00 52.22

ATOM 286 03' ADE 213 79.044 18.995 36.242 1.00 54.66

ATOM 287 P ADE 214 80.228 20.064 36.028 1.00 57.02

ATOM 288 O1P ADE 214 79.679 21.222 35.280 1.00 56.33

ATOM 289 O2P ADE 214 80.874 20.286 37.348 1.00 57.21

ATOM 290 05' ADE 214 81.246 19.305 35.071 1.00 57.33

ATOM 291 C5- ADE 214 81.868 18.096 35.488 1.00 59.82

ATOM 292 C4' ADE 214 82.635 17.483 34.343 00 61.75

ATOM 293 04' ADE 214 81.707 17.016 33.327 00 61.89

ATOM 294 Cl¹ ADE 214 82.292 17.169 32.042 00 61.29

ATOM 295 N9 ADE 214 81.463 18.092 31.274 00 59.55

ATOM 296 C4 ADE 214 81.268 18.075 29.915 00 58.31

ATOM 297 N3 ADE 214 81.788 17.208 29.028 1.00 57.81

ATOM 298 C2 ADE 214 81.386 17.503 27.795 1. 00 57.59

ATOM 299 Nl ADE 214 80.582 18.491 27.379 1.00 57.27

ATOM 300 C6 ADE 214 80.076 19.342 28.299 1.00 57.45

ATOM 301 N6 ADE 214 79.274 20.324 27.890 1.00 57.61

ATOM 302 C5 ADE 214 80.428 19.138 29.640 1.00 57.54

ATOM 303 N7 ADE 214 80.092 19.814 30.805 1, 00 57.65

ATOM 304 C8 ADE 214 80.728 19.155 31.743 1.00 59.44

ATOM 305 C2- ADE 214 83.708 17.710 32.254 1, 00 62.54

ATOM 306 02' ADE 214 84.631 16.639 32.312 1.00 62.80

ATOM 307 C3' ADE 214 83.548 18.430 33.586 1. 00 63.29

ATOM 308 03' ADE 214 84.789 18.613 34.250 1.00 65.80

ATOM 309 P ADE 215 85.598 19.984 34.045 1.00 67.70

ATOM 310 O1P ADE 215 84.624 21.100 34.157 1, 00 68.00

ATOM 311 O2P ADE 215 86.784 19.955 34.938 1.00 67.89

ATOM 312 05' ADE 215 86.101 19.899 32.535 1, 00 68.45

ATOM 313 C5' ADE 215 87.059 18.918 32.151 1, 00 70.01

ATOM 314 C4' ADE 215 87.272 18.943 30.658 1.00 71.41

ATOM 315 04' ADE 215 86.050 18.536 29.983 1.00 71.75

ATOM 316 Cl' ADE 215 85.942 19.219 28.742 1.00 71.56

ATOM 317 N9 ADE 215 84.742 20.055 28.775 1.00 71.01 ATOM 318 C4 ADE 215 84.023 20..482 27.684 1.00 70.26

ATOM 319 N3 ADE 215 84.251 20.193 26.393 00 69.66

ATOM 320 C2 ADE 215 83.357 20.796 25.611 00 69.71

ATOM 321 Nl ADE 215 82.338 21.596 25.949 00 69.64

ATOM 322 C6 ADE 215 82.136 21.866 27.258 00 70.24

ATOM 323 N6 ADE 215 81.123 22.664 27.597 00 69.86

ATOM 324 C5 ADE 215 83.016 21.286 28.190 00 70.35

ATOM 325 N7 ADE 215 83.088 21.353 29.575 00 70.60

ATOM 326 C8 ADE 215 84.122 20.602 29.872 00 70.78

ATOM 327 C2' ADE 215 87.204 20.072 28.595 00 72.08

ATOM 328 O2¹ ADE 215 88.200 19.358 27.889 00 72.53

ATOM 329 C3' ADE 215 87.572 20.302 30.053 00 72.35

ATOM 330 O3¹ ADE 215 88.935 20.675 30.210 00 73.71

ATOM 331 P GUA 216 89.331 22.235 30.232 00 74.75

ATOM 332 O1P GUA 216 90.766 22.319 30.614 1.00 75.21

ATOM 333 02P GUA 216 88.317 22.968 31.035 1.00 74.56

ATOM 334 05' GUA . 216 89.182 22.688 28.710 00 74.57

ATOM 335 C5^f GUA 216 89.917 22.034 27.682 00 75.26

ATOM 336 C4' GUA 216 89.347 22.377 26.326 00 75.99

ATOM 337 04' GUA 216 87/972 21.916 26.253 00 76.03

ATOM 338 Cl' GUA 216 87.218 22.794 25.431 00 75.59

ATOM 339 N9 GUA 216 86.157 23.383 26.241 00 75.00

ATOM 340 C4 GUA 216 85.042 24.036 25.774 00 74.47

ATOM 341 N3 GUA 216 84.721 24.228 24.479 00 74.12

ATOM 342 C2 GUA 216 83.590 24.904 24.344 00 74.27

ATOM 343 N2 GUA 216 83.122 25.188 23.118 00 73.27

ATOM 344 Nl GUA 216 82.835 25.355 25.401 00 74.32

ATOM 345 ^•C6 GUA 216 83.147 25.168 26.743 00 74.58

ATOM 346 O6 GUA 216 82.397 25.617 27.619 00 74.52

ATOM 347 C5 GUA 216 84.360 24.443 26.902 00 74.57

ATOM 348 N7 GUA 216 85.026 24.044 28.052 1.00 74.39

ATOM 349 C8 GUA 216 86.082 23.416 27.612 1.00 74.61

ATOM 350 C2' GUA 216 88.187 23.853 24.899 1.00 76.01

ATOM 351 O2' GUA 216 88.696 23.454 23.643 00 75.36

ATOM 352 C3' GUA 216 89.251 23.855 25.987 00 76.60

ATOM 353 O3' GUA 216 90.488 24.352 25.492 00 78.72

ATOM 354 P CYT 217 90.831 25.918 25.630 00 80.38

ATOM 355 O1P CYT 217 90.438 26.350 26.998 00 79.54

ATOM 356 O2P CYT 217 92.233 26.108 25.174 00 80.04

ATOM 357 O5¹ CYT 217 89.858 26.625 24.581 00.81.05

ATOM 358 C5' CYT 217 89.996 26.388 23.181 00 82.59

ATOM 359 C4 ' CYT 217 88.839 26.998 22.422 00 83.84

ATOM 360 O4¹ CYT 217 87.602 26.343 22.814 00 83.82

ATOM 361 Cl' CYT 217 86.542 27.290 22.832 00 83.85

ATOM 362 Nl CYT 217 86.081 27.439 24.222 00 83.17

ATOM 363 C6 CYT 217 86.861 27.023 25.266 00 82.38

ATOM 364 C2 CYT 217 84.832 28.022 24.463 00 82.38

ATOM 365 O2 CYT 217 84.142 28.384 23.497 00 81.65

ATOM 366 N3 CYT 217 84.411 28.174 25.740 00 81.68

ATOM 367 C4 CYT 217 85.184 27.769 26.751 00 81.95

ATOM 368 N4 CYT 217 84.730 27.939 27.996 00 81.60

ATOM 369 C5 CYT 217 86.457 27.169 26.533 00 81.98

ATOM 370 C2' CYT 217 87.110 28.595 22.275 00 84.35

ATOM ^•371 O2¹ CYT 217 86.928 28.628 20.874 00 83.80

ATOM 372 C3¹ CYT 217 88.570 28.470. 22.684 00 84.98

ATOM 373 O3' CYT 217 89.417 29.309 21.908 00 87.44

ATOM 374 P CYT 218 ^• 89.821 30.763 22.466 00 89.15

ATOM 375 O1P CYT 218 90.204 30.605 23.895 1.00 88.74

ATOM 376 O2P CYT 218 90.780 31.374 21.508 1.00 89.08 ATOM 377 O5' CYT 218 88.462 31.592 22.402 1.00 89.99

ATOM . 378 C5' CYT 218 87.863 31.906 21.150 1.00 91.67

ATOM 379 C4' CYT 218 86.527 32.578 21.359 1.00 92.93

ATOM 380 O4¹ CYT 218 85.630 31.669 22.050 1.00 93.01

ATOM 381 Cl' CYT 218 84.725 32.416 22.851 1.00 93.15

ATOM 382 Nl CYT 218 84.868 31.989 24.249 1.00 92.60

ATOM 383 C6 CYT 218 85.971 31.298 24.668 1.00 92.21

ATOM 384 C2 CYT 218 83.848 32.306 25.151 1.00 92.44

ATOM 385 02 CYT 218 82.860 32.935 24.742 1.00 92.28

ATOM 386 N3 CYT 218 83.964 31.920 26.442 1.00 91.99

ATOM 387 C4 CYT 218 85.043 31.245 26.842 1.00 91.87

ATOM 388 N4 CYT 218 85.113 30.884 28.126 1.00 91.55

ATOM 389 C5 CYT 218 86.099 30.910 25.944 1.00 91.85

ATOM 390 C2' CYT 218 85.061 33.894 22.657 1.00 93.68

ATOM 391 O2¹ CYT 218 84.232 34.431 21.645 1.00 93.90

ATOM 392 C3¹ CYT 218 86.525 33.813 22.243 1.00 93.90

ATOM 393 O3' CYT 218 86.931 34.972 21.525 1.00 95.25

ATOM 394 P ADE 219 87.572 36.215 22.317 1.00 96.20

ATOM 395 OlP ADE 219 88.360 35.660 23.448 1.00 95.78

ATOM 396 O2P ADE 219 88.235 37.093 21.320 1.00 96.14

ATOM 397 05' ADE 219 86.313 36.989 22.918 1.00 97.41

ATOM 398 C5^f ADE 219 85.328 37.560 22.057 1.00 99.14

ATOM 399 C4 ' ADE 219 84.066 37.876 22.831 1.00100.49

ATOM 400 O4¹ ADE 219 83.579 36.663 23.463 1.00101.02

ATOM 401 Cl' ADE 219 82.925 36.990 24.679 1.00101.33

ATOM 402 N9 ADE 219 83.583 36.272 25.770 1.00101.41

ATOM 403 C4 ADE 219 83.092 36.125 27.045 1.00101.32

ATOM 404 N3 ADE 219 81.935 36.604 27.533 1.00100.92

ATOM 405 C2 ADE 219 81.789 36.263 28.812 .00100.98

ATOM 406 Nl ADE 219 82.608 35.552 29.598 .00101.10

ATOM 407 C6 ADE 219 83.764 35.084 29.075 .00101.12

ATOM 408 N6 ADE 219 84.579 34.374 29.858 .00100.95

ATOM 409 C5 ADE 219 84.036 35.378 27.727 .00101.18

ATOM 410 N7 ADE 219 85.104 35.062 26.898 .00101.39

ATOM 411 C8 ADE 219 84.787 35.614 25.752 1.00101.31

ATOM 412 C2' ADE 219 82.988 38.509 24.843 1.00101.28

ATOM 413 02' ADE 219 81.789 39.086 24.364 1.00101.07

ATOM 414 C3' ADE 219 84.201 38.856 23.987 1.00101.23

ATOM 415 03' ADE 219 84.125 40.202 23.530 1.00102.05

ATOM 416 P URI 220 84.705 41.391 24.447 1.00102.72

ATOM 417 O1P URI 220 84.418 42.670 23.744 1.00102.51

ATOM 418 O2P URI 220 86.105 41.051 24.814 1.00102.53

ATOM 419 05' URI 220 83.815. 41.347 25.769 1.00102.10

ATOM 420 C5¹ URI 220 82.457 41.791 25.763 .00101.37

ATOM 421 C4 ' URI 220 81.851 41.621 27.136 .00100.85

ATOM 422 04' URI 220 81.876 40.211 27.488 .00100.45

ATOM 423 Cl¹ URI 220 82.216 40.061 28.857 .00 99.96

ATOM 424 Nl URI 220 83.507 39.361 28.929 1.00 98.79

ATOM 425 C6 URI 220 84.359 39.328 27.847 1.00 98.01

ATOM 426 C2 URI 220 83.839 38.734 30.116 1.00 97.94

ATOM 427 O2 URI 220 83.113 38.746 31-099 1.00 97.07

ATOM 428 N3 URI 220 85.053 38.091 30-109 1.00 97.23

ATOM .429 C4 URI 220 85.949 38.016 29-059 1.00 96.95

ATOM 430 O4 URI 220 87.001 37.393 29.203 1.00 96.09

ATOM 431 C5 URI 220 85.535 38.694 27.871 1.00 97.04

ATOM 432 C2' URI 220 82.243 41.462 29.472 1.00100.48

ATOM 433 02' URI 220 80.973 41.775 30-007 1.00100.43

ATOM 434 C3' URI 220 82.608 42.313 28.261 1.00100.82

ATOM 435 O3¹ URI 220 82.184 43.666 28.411 1.00100.82 ATOM 436 P GUA 3 75.559 32.245 33.652 1.00101.12

ATOM 437 O1P GUA 3 74.352 32.726 34.377 1.00100.94

ATOM 438 02P GUA 3 75.858 30.789 33.605 1.00100.73

ATOM 439 05' GUA 3 75.502 32.803 32.159 1.00 99.82

ATOM 440 C5¹ GUA 3 74.595 33.844 31.802 1.00- 98.26

ATOM 441 C4^! GUA 3 74.998 34.465 30.483 1.00 97.09

ATOM 442 04' GUA 3 76.313 35.068 30.613 1.00 96.92

ATOM 443 Cl' GUA 3 77.019 34.945 29.388 1.00 96.58

ATOM 444 N9 GUA 3 78.218 34.149 29.631 1.00 96.52

ATOM 445 C4 GUA 3 79.203 33.856 28.716 1.00 96.36

ATOM 446 N3 GUA 3 79.242 34.267 27.430 1.00 95.91

ATOM 447 C2 GUA 3 80.316 33.817 26.798 1.00 95.72

ATOM 448 N2 GUA 3 80.514 34.130 25.508 1.00 95.17

ATOM 449 Nl GUA 3 81.275 33.027 27.384 1.00 95.70

ATOM 450 C(S GUA 3 81.255 32.591 28.706 1.00 95.97

ATOM 451 O6 GUA 3 82.172 31.877 29.134 1.00 95.88

ATOM 452 C5 GUA 3 80.109 33.067 29.396 1.00 96.27

ATOM 453 N7 GUA 3 79.705 32.875 30.711 1.00 96.43

ATOM 454 C8 GUA 3 78.582 33.535 30.805 1.00 96.48

ATOM 455 C2' GUA 3 76.074 34.283 28.384 1.00 96.38

ATOM 456 O2¹ GUA 3 75.402 35.275 27.632 1.00 96.14

ATOM 457 C3¹ GUA 3 75.150 33.505 29.314 1.00 96.34

ATOM 458 03' GUA 3 73.893 33.241 28.704 1.00 95.19

ATOM 459 P GUA 4 73.646 31.834 27.966 1.00 94.22

ATOM 460 OlP GUA 4 72.210 31.793 27.583 1.00 94.09

ATOM 461 O2P GUA 4 74.215 30.750 28.809 1.00 93.37

ATOM 462 O5¹ GUA 4 74.506 31.940 26.629 1.00 92.93

ATOM 463 C5' GUA 4 74.085 32.777 25.555 1.00 90.67

ATOM 464 C4¹ GUA 4 75.049 32.667 24.397 1.00 88.87

ATOM 465 O4' GUA 4 76.358 33.141 24.819 1.00 88.68

ATOM 466 Cl¹ GUA 4 77.373 32.374 24.187 1.00 87.85

ATOM 467 N9 GUA 4 78.111 31.651 25.217 1.00 87.39

ATOM 468 C4 GUA 4 79.349 31.068 25.077 1 ..00 87.18

ATOM 469 N3 GUA 4 80.106 31.072 23.958 1 ..00 86.96

ATOM 470 C2 GUA 4 81.249 30.425 24.132 1.00 86.70

ATOM 471 N2 GUA 4 82.125 30.332 23.121 1.00 86.35

ATOM 472 Nl GUA 4 81.619 29.823 25.309 1.00 85.90

ATOM 473 C6 GUA 4 80.857 29.806 26.472 1.00 86.40

ATOM 474 06 GUA 4 81.287 29.232 27.480 1.00 86.38

ATOM 475 C5 GUA 4 79.626 30.497 26.301 1.00 86.76

ATOM 476 N7 GUA 4 78.584 30.716 27.194 1.00 86.52

ATOM 477 C8 GUA 4 77.711 31.405 26.509 1.00 86.84

ATOM 478 C2¹ GUA 4 76.671 31.424 23.217 1.00 87.79

ATOM 479 O2' GUA 4 76.568 32.025 21.942 1.00 87.56

ATOM 480 C3' GUA 4 75.323 31.257 23.902 1.00 87.63

ATOM 481 03' GUA 4 74.324 30.801 23.000 1.00 85.49

ATOM 482 P CYT 5 74.089 29.220 22.816 1 ,.00 84.26

ATOM 483 O1P CYT 5 74.113 28.606 24.170 1 ..00 83.41

ATOM 484 02P CYT 5 72.905 29.024 21.940 1 , 00 83. 98

ATOM 485 05' CYT 5 75.386 28.723 22.033 1 . 00 82 . 28

ATOM 486 C5' CYT 5 75.680 29.206 20.723 1 . 00 79. 24

ATOM 487 C4¹ CYT 5 77.005 28.656 20.245 1 . 00 77 . 07

ATOM 488 04' CYT 5 78.074 29.157 21.092 1 . 00 76. 02

ATOM 489 Cl' CYT 5 79.078 28.163 21.234 , 00 75 . 09

ATOM 490 Nl CYT 5 79.164 27.795 22.657 1 . 00 73 . 85

ATOM 491 C6 CYT 5 78.159 28.115 23.525 1 . 00 73 . 41

ATOM 492 C2 CYT 5 80.294 27.106 23.109 1 . 00 73 . 52

ATOM 493 O2 CYT 5 81.190 26.823 22.300 1 . 00 73 . 13

ATOM 494 N3 CYT 5 80.381 26.764 24.415 1 . 00 73 . 03 ATOM 495 C4 CYT 5 79.395 27.083 25.255 1.00 72.73

ATOM 496 N4 ^"CYT 5 79.526 26.729 26.534 1.00 72.22

ATOM 497 C5 CYT 5 78.231 27.781 24.820 1.00 72.69

ATOM 498 C2' CYT 5 78.671 26.987 20.346 00 75.47

ATOM 499 02' CYT 5 79.245 27.126 19.062 00 75.02

ATOM 500 C3' CYT 5 77.160 27.147 20.322 00 75.98

ATOM 501 03' CYT 5 76.585 26.501 19.195 00 75.31

ATOM 502 P URI 6 76.090 24.976 19.324 00 74.69

ATOM 503 O1P URI 6 75.518 24.816 20.687 00 74.63

ATOM 504 O2P URI 6 75.265 24.637 18.136 00 74.75

ATOM 505 O5' URI 6 _CX_l 77.438 24.130 19.260 00 73.45

ATOM 506 C5' URI 6 78.333 24.265 18.163 00 71.21

ATOM 507 C4' URI 6 79.607 23.513 18.444 00 69.99

ATOM 508 O4' URI 6 80.330 .24.159 19.526 00 69.26

ATOM 509 Cl¹ URI 6 81.005 23.177 20.298 1.00 68.81

ATOM 510 Nl URI 6 80.517 23.256 21.682 1.00 67.61

ATOM 511 C6 URI 6 79.424 24.016 22.015 1.00 67.24

ATOM 512 C2 URI 6 81.200 22.536 22.642 00 67.54

ATOM 513 O2 URI 6 82.171 21.848 22.386 00 68.31

ATOM 514 N3 URI 6 80.702 22.649 23.917 00 66.58

ATOM 515 C4. URI . 6 79.614 23.391 24.319 00 66.47

ATOM 516 O4 URI 6 79.286 23.389 25.508 00 64.35

ATOM 517 C5 URI 6 78.959 24.106 23.267 00 66.35

ATOM 518 C2¹ URI 6 80.736 21.822 19.641 00 69.37

ATOM 519 O2" URI 6 81.776 21.526 18.733 00 69.80

ATOM 520 C3' URI 6 79.413 22.092 18.939 00 69.76

ATOM 521 03' URI 6 79.182 21.195 17.860 00 69.86

ATOM 522 P URI 7 78.335 19.854 18.112 00 69.52

ATOM 523 O1P URI 7 78.096 19.211 16.795 00 69.40

ATOM 524 O2P URI 7 77.182 20.194 18.986 00 69.38^'

ATOM 525 O5' URI 7 79.336 18.930 18.932 00 68.43

ATOM 526 C5^T URI 7 80.561 18.506 18.351- do 67.21

ATOM 527 C4' URI 7 81.395 17.785 19.375 00 66.44

ATOM 528 O4¹ URI 7 81.747 18.705 20.441 00 66.05

ATOM 529 Cl¹ URI 7 81.779 18.010 21.676 00 65.10

ATOM 530 Nl URI 7 80.804 18.639 22.577 00 63.72

ATOM 531 C6 URI 7 79.820 19.471 22.096 1.00 63.71

ATOM 532 C2 URI 7 80.917 18.377 23.927 1.00 63.44

ATOM 533 02 URI 7 81.770 17.636 24.387 1.00 63.36

ATOM 534 N3 URI 7 79.994 19.016 24.718 1.00 62.47

ATOM 535 C4 URI 7 78.993 19.867 24.304 1.00 61.87

ATOM 536 O4 URI 7 78.250 20.374 25.140 1.00 62.14

ATOM 537 C5 URI 7 78.935 20.078 22.892 1.00 62.33

ATOM 538 C2¹ URI 7 81.488 16.538 21.377 1.00 65.29

ATOM 539 O2' URI 7 82.705 15.839 21.201 1.00 65.17

ATOM 540^' C3' URI 7 80.685 16.652 20.090 1.00 65.67

ATOM 541 03' URI 7 80.726 15.462 19.316 1.00 65.23

ATOM 542 P URI 8 79.500 14.430 19.390 1.00 64.76

ATOM 543 O1P URI 8 79.660 13.441 18.295 1.00 64.62

ATOM 544 O2P URI 8 78.249 15.228 19.483 1.00 64.77

ATOM 545 os- URI 8 79.742 13.681 20.773 1.00 63.86

ATOM 546 cs' URI 8 80.925 12.914 20.978 1.00 62.90

ATOM ^■ 547 C4' URI 8 81.073 12.559 22.436 1.00 61.83

ATOM 548 O4' URI 8 81.304 13.765 23.211 1.00 61.85

ATOM 549 Cl¹ URI 8 80.700 13.634 24.490 1.00 60.62

ATOM 550 Nl URI 8 79.699 14.698 24.643 1.00 58.70

ATOM 551 C6 URI 8 79.072 15.257 23.552 1.00 58.01

ATOM 552 ^• C2 URI 8 79.407 15.120 25.927 1.00 57.66

ATOM 553 O2 URI 79.935 14.643 26.917 1.00 56.19 ATOM 554 N3 URI 8 78.471 16.122 26.009 1.00 56.79

ATOM 555 CA URI 8 77.810 16.726 24.962 1.00 56.72

ATOM 556 O4 URI 8 76.997 17.618 25.199 1.00 54.96

ATOM 557 C5 URI 8 78.162 16.230 23.664 1.00 57.32

ATOM 558 C2' URI 8 80.083 12.237 24.555 1.00 61.09

ATOM. ^• 559 O2¹ URI 8 81.000 11.339 25.142 1.00 61.19

ATOM 560 C3' URI 8 79.840 11.955 23.080 1.00 61.54

ATOM 561 O3' URI 8 79.728 10.568 22.810 1.00 60.65

ATOM 562 P ADE 9 78.279 9.886 22.824 1.00 60.28

ATOM 563 O1P ADE 9 78.429. 8.484 22.355 1.00 60.44

ATOM 564 O2P ADE 9 77.346 10.800 22.118 1.00 59.54

ATOM 565 O5¹ ADE 9 77.895 9.872 24.372 1.00 59.94

ATOM 566 C5' ADE 9 78.690 9.154 25.312 1.00 58.00

ATOM 567 C4¹ ADE 9 78.219 9.430 26.723 1.00 56.93

ATOM 568 O4' ADE 9 78.496 10.809 27.085 1.00 56.63

ATOM 569 Cl¹ ADE 9 11.All 11.286 27.953 1.00 55.21

ATOM 570 N9 ADE 9 76.815 12.414 27.301 1.00 52.99

ATOM 571 CA ADE 9 76.098 13.413 27.914 1.00 50.52

ATOM 572 N3 ADE 9 75.845 13.548 29.226 1.00 48.83

ATOM 573 C2 ADE 9 75.130 14.644 29.453 1.00 47.84

ATOM 574 Nl ADE 9 74.674 15.554 28.585 1.00 47.61

ATOM 575 C6 ADE 9 74.944 15.387 27.274 1.00 47.81

ATOM 576 N6 ADE 9 74.489 16.291 26.408 1.00 48.01

ATOM 577 C5 ADE 9 75.692 14.262 26.902 1.00 49.84

ATOM 578 N7 ADE 9 76.132 13.802 25.668 1.00 50.79

ATOM 579 C8 ADE 9 76.788 12.705 25.958 1.00 52.71

ATOM 580 C2' ADE 9 76.532 10.115 28.221 1.00 55.76

ATOM 581 O2' ADE 9 76.957 9.429 29.382 1.00 55.42

ATOM 582 C3' ADE 9 76.728 9.284 26.963 1.00 56.01

ATOM 583 O3' ADE 9 76.381 7.925 27.177 1.00 55.76

ATOM 584 P ADE 10 74.904 7.420 26.808 1.00 55.61

ATOM 585 OlP ADE 10 74.493 8.117 25.556 1.00 54.99

ATOM 586 O2P ADE 10 74.903 5.937 26.858 1.00 54.87

ATOM 587 05' ADE 10 74.014 7.977 28.004 1.00 54.24

ATOM 588 C5¹ ADE 10 74.310 7.627 29.349 1.00 52.34

ATOM 589 C4' ADE 10 73.572 8.538 30.294 1.00 51.69

ATOM 590 O4 ' ADE 10 74.044 9.902 30.119 1.00 50.74

ATOM 591 Cl¹ ADE 10 72.971 10.810 30.335 1.00 49.71

ATOM 592 N9 ADE 10 72.74-3 11.565 29.102 1.00 47.57

ATOM 593 C4 ADE 10 72/215 12.831 29.008 1.00 47.18

ATOM 594 N3 ADE 10 71.815 13.626 30.019 1.00 46.21

ATOM 595 C2 ADE 10 71.349 14.778 29.552 1.00 44.74

ATOM 596 Nl ADE 10 71.244 15.200 28.287 1.00 45.21

ATOM 597 C6 ADE 10 71.655 14.381 27.295 1.00 45.92

ATOM 598 N6 ADE 10 71.551 14.805 26.031 1.00 44.30

ATOM 599 C5 ADE 10 72.170 13.124 27.659 1.00 45.95

ATOM 600 N7 ADE 10 72.664 12.065 26.911 1.00 46.56

ATOM 601 C8 ADE 10 72.991 11.169 27.812 1.00 46.62

ATOM 602 C2' ADE 10 71.753 9.975 30.731 1.00 50.14

ATOM 603 02* ADE 10 71.673 9.877 32.141 1.00 50.41

ATOM 604 C3' ADE 10 72.077 8.650 30.055 1.00 50.68

ATOM 605 O3¹ ADE 10 71.375 7.566 30.643 1.00 50.24

ATOM 606 P GUA 11 69.837 7.325 30.261 1.00 49.48

ATOM 607 O1P GUA 11 69.730 7.187 28.783 1.00 48.35

ATOM 608 02P GUA 11 69.315 6.244 31.141 1.00 50.37

ATOM 609 O5^l GUA 11 69.157 8.698 30.686 1.00 47.63

ATOM 610 C5^f GUA 11 67.935 9.129 30.106 1.00 44.75

ATOM 611 CA ' GUA 11 67.603 10.514 30.603 1.00 42.46

ATOM 612 O4¹ GUA 11 68.654 11.431 30.198 1.00 41.45 ATOM 613 Cl¹ GUA 11 68.091 •12.691 29.896 1.00 39.75

ATOM 614 N9 GUA 11 68.323 12.958 28.482. 1.00 37.21

ATOM 615 C4 GQA 11 67.977 14.099 27.802 1..00 35.99

ATOM 616 N3 GUA .11 67.352 15.175 28.325 1. 00 35.07

ATOM 617 C2 GUA 11 67.153 16.119 27.418 1.00 36.10

ATOM 618 N2 GUA 11 66.533 17.259 27.764 1.00 32.36.

ATOM 619 Nl GUA 11 67.546 16.014 26.104 1.00 34.18

ATOM 620 C6 GUA 11 68.193 14.914 25.548 1.00 35.36

ATOM 621 O6 GUA 11 68.511 14.924 24.352 1.00 36.40

ATOM 622 C5 GUA 11 68.403 13.894 26.507 1.00 36.40

ATOM 623 N7 GUA 11 69.000 12.647 26.377 1.00 37.08

ATOM 624 C8 GUA 11 68.927 12.128 27.572 1. 00 37.51

ATOM 625 C2¹ GUA 11 66.603 12.614 30.239 1.00 39.91

ATOM 626 O2¹ GUA 11 66.416 13.044 31.573 1, 00 38.85

ATOM 627 C3¹ GUA 11 66.337 11.130 30.038 1.00 40.84

ATOM 628 03' GUA 11 65.217 10.681 30.786 1.00 39.88

ATOM 629 P URI 12 63.799 10.513 30.065 1.00 39.13

ATOM 630 O1P URI 12 64.012 9.830 28.760 1, 00 39.93

ATOM 631 02P URI 12 62.864 9.933 31.063 1, 00 38.96

ATOM 632 05 ' URI 12 63.348 12.009 29.771 1, 00 37.09

ATOM 633 C5¹ URI 12 63.088 12.901 30.842 1, 00 34.76

ATOM 634 C4¹ URI 12 62.643 14.235 30.312 1.00 33.60

ATOM 635 04' URI 12 63.754 14.893 29.641 1.00 33.91

ATOM 636 Cl¹ URI 12 63.253 15.690 28.580 1, 00 32.90

ATOM 637 Nl URI 12 63.810 15.182 27.321 1, 00 33.44

ATOM 638 C6 URI 12 64.453 13.969 27.264 1, 00 33.23

ATOM 639 C2 URI 12 63.674 15.973 26.198 1.00 32.40

ATOM 640 02 URI 12 63.086 17.041 26.215 00 29.75

ATOM 641 N3 URI 12 64.246 15.464 25.060 00 31.86

ATOM 642 C4 URI 12 64.916 14.259 24.936 00 35.14

ATOM 643 04 URI 12 65.388 13.933 23.845 00 36.40

ATOM 644 C5 URI 12 64.998 13.493 26.142 00 35.23

ATOM 645 C2* URI 12 61.730 15.582 28.633 00 32.47

ATOM 646 02 ' URI 12 61.261 16.587 29.505 00 32.47

ATOM 647 C3' URI 12 61.566 14.201 29.245 00 32.66

ATOM 648 03' URI 12 60.275 14.021 29.805 1-00 32.14

ATOM 649 P URI 13 59.152 13.239 28.963 1.00 32.23

ATOM 650 O1P URI 13 59.795 12.062 28.326 1.00 32.96

ATOM 651 O2P URI 13 57.962 13.052 29.829 1.00 32.02

ATOM 652 O5' URI 13 58.779 14.259 27.800 1.00 32.18

ATOM 653 C5' URI 13 58.294 15.560 28.108 1.00 31.61

ATOM 654 C4¹ URI 13 58.321 16.434 26.879 00 31.51

ATOM 655 O4¹ URI 13 59.693 16.579 26.419 00 31.75

ATOM 656 Cl' URI 13 59.704 16.715 25.005 00 31.40

ATOM 657 Nl URI 13 60.490 15.616 24.432 00 32.19

ATOM 658 C6 URI 13 60.798 14.492 25.166 00 32.74

ATOM 659 C2 URI 13 60.906 15.749 23.121 1.00 31.47

ATOM 660 02 URI 13 60.650 16.737 22.440 1.00 32.82

ATOM 661 N3 URI 13 61.629 14.690 22.633 1.00 30.39

ATOM 662 C4 URI 13 61.970 13.538 23.309 1.00 33.41

ATOM 663 04 URI 13 62.633 12.676 22.735 1.00 36.17

ATOM 664 C5 URI 13 61.502 .13.477 24.665 1.00 32.87

ATOM 665 C2' URI 13 58.248 16.690 24.538 1.00 32.52

ATOM 666 02' URI 13 57.793 18.029 24.478 1.00 32.56

ATOM 667 C3¹ URI 13 57.586 15.890 25.660 1. 00 31.55

ATOM 668 03' URI 13 56.200 16.178 25.779 1, 00 30.59

ATOM 669 P GUA 14 55.101 15.071 25.378 1.00 33.09

ATOM 670 O1P GUA 14 55.479 13.751 25.938 1.00 31.93

ATOM 671 02P GUA 14 53.792 15.660 25.736 1.00 32.84 ATOM 672 O5¹ GUA 14 55.223 14.963 23.785 .00 30.87

ATOM 673 C5¹ GUA 14 55.063 16.120 22.958 ,00 30.10

ATOM 674" C4.' GUA 14 55.641 15.877 21.577 .00 28.48

ATOM 675 O4' GUA 14 .57.069 15.630 21.666 ,00 28.05

ATOM 676 Cl' GUA 14 57.456 14.715 20.653 ,00 28.28

ATOM 677 N9 GUA 14 58.041 13.546 21.301 .00 29-71

ATOM 678 C4 GUA 14 59.112 12.8.10 .20.852 ,00 30.05

ATOM 679 N3 GUA 14 59.824 13.045 19.728 ,00 30.52

ATOM 680 C2 GUA 14 60.790 12.156 19.556 .00 31..14

ATOM 681 N2 GUA 14 61.592 12.239 18.480 .00 30.28

ATOM 682 Nl GUA 14 61.040 11.117 20.425 .00 33..04

ATOM 683 C6 GUA 14 60.322 10.856 21.590 .00 32.25

ATOM 684 06 GUA 14 60.629 9.890 , 22.306 .00 32.78

ATOM 685 C5 GUA 14 59.279 11.805- 21.785 .00 31.43

ATOM^' 686 N7 GUA 14 58.340 11.914 22.802 .00.31.26

ATOM 687 C8 GUA 14 57.628 12.960 22.475 .00 30.53

ATOM 688 C2' GUA 14 56.213 14.380 19.822 .00 28.67

ATOM 689 O2' GUA 14 56.184 15.207 18.672 .00 ^•28.17

ATOM 690 C3¹ GUA 14 55.086 14.683 20.811 .00 28.28

ATOM 691 O3¹ GUA 14 53.893 15.073 20.135 .00 27.97

ATOM 692 P ADE 15 52.481 14.416 20.549 .00 30.22

ATOM 693 O1P ADE .15 52.215 13.340 19.553 .00 28.65

ATOM 694 O2P ADE 15 52.511 14.070 21.997 .00 27.47

ATOM 695 O5' ADE ^• 15 51.436 15.604 20.325 .00 30.06

ATOM 696 C5' ADE 15 51.040 16.487 21.392 .00 30.61

ATOM 697 C4¹ ADE ' 15 49.524 16.530 21.482 .00 31.10

ATOM 698 O4¹ ADE 15 48.976 16.898 20.198 .00 31.08

ATOM 699 Cl¹ ADE 15 48.384 15.777 19.581 .00 29.89

ATOM 700 N9 ADE 15 48.922 15.729 18.229 .00 31.32

ATOM 701 C4 ADE 15 48.490 16.557 17.222 .00 30.08

ATOM 702 N3 ADE 15 47.489 17.451 17.288 .00 29.12

ATOM 703 C2 ADE 15 47.374 18.111 16.138 .00 30.73

ATOM 704 Nl ADE 15 48.092 17.985 15.017 .00 31.52

ATOM 705 C6 ADE 15 49.089 17.074 14.982 .00 31.13

ATOM 706 N6 ADE 15 49.799 16.952 13.852 .00 31.07

ATOM 707 C5 ADE 15 49.314 16.309 16.143 .00 29.29

ATOM 708 N7 ADE 15 50.227 15.308 16.448 .00 30.89

ATOM 709 C8 ADE 15 49.943 14.986 17.691 .00 29.44

ATOM 710 C2' ADE 15 48.590 14.543 20.468 .00 30.27

ATOM 711 O2¹ ADE 15 47.389 13.809 20.524 .00 30.47

ATOM 712 C3' ADE 15 48.937 15.173 21.813 .00 31.01

ATOM 713 03' ADE 15 47.799 15.289 22.668 .00 32.69

ATOM 714 P CYT 16 47.975 15.597 24.235 .00 36.05

ATOM 715 O1P CYT 16 46.993 14.741 24.954 .00 36.62

ATOM 716 O2P CYT 16 49.411 15.542 24.608 .00 35.51

ATOM 717 O5' CYT 16 47.462 17.096 24.378 .00 34.11

ATOM 718 C5' CYT 16 47.154 17.642 25.654 ,00 31.33

ATOM 719 C4' CYT 16 45.851 18.400 25.595 ,00 29.30

ATOM 720 04' CYT 16 45.927 19.376 24.520 ,00 28.56

ATOM 721 Cl¹ CYT 16 44.645 19.545 23.946 ,00 28.48

ATOM 722 Nl CYT 16 44.731 19.258 22.507 ,00 28.93

ATOM 723 C6 CYT 16 45.845 18.673 21.964 .00 29.75

ATOM 724 C2 CYT ^■ 16 43.647 19.595 21.697 1.00 29.16

ATOM 725 02 CYT 16 42.645 20.125 22.220 .00 28.16

ATOM 726 N3 CYT 16 43.706 19.340 20.370 .00 28.82

ATOM 727 C4 CYT 16 44.795 18.777 19.846 .00 28.60

ATOM 728 N4 CYT 16 44.804 18.5.53 18.531 .00 29.11

ATOM 729 C5 CYT 16 45.921 18.421 20.649 .00 30.69

ATOM 730 C2' CYT 16 43.677 18.634 24-705 1.00 27.50 ATOM 731 O2^r CYT 16 43.060 19.385 25.728 1.00 24.40

ATOM 732 C3^r CYT 16 44.617 17.572 25.262 1.00 28.34

ATOM 733 03' CYT 16 44.075 17.024 26.466 1.00 28.35

ATOM 734 P GUA 17 43.677 15.463 26.553 1.00 27.57

ATOM 735 OlP GUA 17 43.822 14.842 25.213 1.00 27.90

ATOM 736 02P GUA 17 44.431 14.894 27.705 1.00 27.43

ATOM 737 05' GUA 17 42.143 15.481 26.989 1.00 26.58

ATOM 738 C5' GUA 17 41.096 15.098 26.099 1.00 26.55

ATOM 739 C4' GUA 17 40.231 16.297 25.776 1.00 25.74

ATOM 740 O4' GUA 17 41.007 17.213 24.962 1.00 26.58

ATOM 741 Cl" GUA 17 40.186 17.759 23.939 1.00 25.40

ATOM 742 N9 GUA 17 40.705 17.298 22.652 1, 00 24.39

ATOM 743 C4 GUA 17 40.199 17.573 21.398 1, 00 25.00

ATOM 744 N3 GUA 17 39.084 18.279 21.127 1.00 22.99

ATOM 745 C2 GUA 17 38.882 18.404 19.817 1, 00 24.54

ATOM 746 N2 GUA 17 37.822 19.087 19.366 1, 00 23.13

ATOM 747 Nl GUA 17 39.708 17.871 18.859 1.00 25.37

ATOM 748 C6 GUA 17 40.863 17.136 19.122 1.00 25.26

ATOM 749 O6 GUA 17 41.545 16.707 18.193 00 24.88

ATOM 750 C5 GUA 17 41.089 16.995 20.512 00 27.57

ATOM 751 N7 GUA 17 42.107 16.341 21.193 00 27.08

ATOM 752 C8 GUA 17 41.831 16.540 22.455 00 25.94

ATOM 753 C2' GUA 17 38.749 17.333 24.246 00 25.71

ATOM 754 02' GUA 17 38.154 18.320 25.081 00 25.33

ATOM 755 C3' GUA 17 38.981 16.006 24.957 00 25.50

ATOM 756 O3' GUA 17 37.901 15.691 25.829 00 27.20

ATOM 757 P ADE 18 36.923 14.459 25.496 1.00 31.11

ATOM 758 OlP ADE 18 37.728 13.339 24.942 00 28.43

ATOM 759 O2P ADE 18 36.090 14.239 26.709 00 27.93

ATOM 760 O5' ADE 18 35.982 15.009 24.329 00 28.71

ATOM 761 C5¹ ADE 18 34.982 15.990 24.601 00 29.47

ATOM 762 C4¹ ADE 18 34.431 16.562 23.313 00 28.50

ATOM 763 04' ADE 18 35.517 17.165 22.564 00 29.26

ATOM 764 Cl' ADE 18 35.293 16.980 21.174 1.00 29.36

ATOM 765 N9 ADE 18 36.384 16.181 20.625 1.00 28.20

ATOM 766 C4 ADE 18 36.606 15.969 19.290 1.00 26.97

ATOM 767 N3 ADE 18 35.848 16.402 18.263 1.00 25.49

ATOM 768 C2 ADE 18 36.385 16.039 17.101 1.00 25.09

ATOM 769 Nl ADE 18 37.513 15.345 16.867 00 27.21

ATOM 770 C6 ADE 18 38.248 14.926 17.924 00 26.29

ATOM 771 N6 ADE 18 39.370 14.247 17.692 00 24.02

ATOM 772 C5 ADE 18 37.779 15.244 19.212 00 27.11

ATOM 773 N7 ADE 18 38.270 14.970 20.480 00 24.50

ATOM 774 C8 ADE 18 37.402 15.536 21.281 00 26.14

ATOM 775 C2¹ ADE 18 33.931 16.318 21.017 00 28.75

ATOM 776 02" ADE 18 32.960 17.338 20.893 00 30.52

ATOM 111 C3' ADE 18 33.823 15.565 22.336 00 29.96

ATOM 778 03' ADE 18 32.459 15.319 22.649 00 31.35

ATOM 779 P GUA 19 31.803 13.889 22.310 00 32.24

ATOM 780 OlP GUA 19 32.565 12.873 23.081 00 32.90

ATOM 781 O2P GUA 19 30.336 14.013 22.503 00 32.16

ATOM 782 05' GUA 19 32.084 13.682 20.753 1.00 31.15

ATOM 783 C5' GUA 19 31.308 14.376 19.779 1.00 29.05

ATOM 784 C4' GUA 19 31.701 13.947 18.381 1. 00 28.95

ATOM 785 04' GUA 19 33.068 14.345 18.090 1.00 27.43

ATOM 786 Cl¹ GUA 19 33.688 13.365 17.268 1.00 28.70

ATOM 787 N9 GUA 19 34.818 12.820 18.015 1.00 30.24

ATOM 788 C4 GUA 19 35.973 12.276 17.506 1.00 29.83

ATOM 789 N3 GUA 19 36.264 12.097 16.195 1.00 30.42 ATOM 790 C2 GUA 19 37.471 11.573 16.022 1.00 31.00

ATOM 791 N2 GUA 19 37.930 11.326 14.766 1.00 29.97

ATOM 792 Nl GUA 19 38.320 11.252 17.060 1.00 30.12

ATOM 793 C6 GOA 19 38.038 11.434 18.413 1.00 30.58

ATOM 794 06 GUA 19 38.875 11.130 19.267 1.00 34.12

ATOM 795 C5 GUA 19 36.753 11.983 18.608 1.00 30.35

ATOM 796 N7 GUA 19 36.089 12.306 19.782 1.00 31.86

ATOM 797 C8 GUA 19 34.946 12.792 19.384 1.00 30.04

ATOM 798 C2' GUA 19 32.609 12.341 16.901 1.00 28.33

ATOM 799 02' GUA 19 31.969 12.766 15.712 1.00 29.78

ATOM 800 C3¹ GUA 19 31.672 12.454 18.099 1.00 28.75

ATOM 801 03' GUA 19 30.344 12.063 17.767 1.00 29.11

ATOM 802 P GUA 20 29.860 10.551 18.042 1.00 30.61

ATOM 803 O1P GUA 20 30.546 10.030 19.257 1.00 28.82

ATOM 804 O2P GUA 20 28.379 10.558 17.978 1.00 30.38

ATOM 805 os- GUA 20 30.437 9.729 1-6.807 1.00 30.35

ATOM 806 cs¹ GUA 20 30.009 10.007 15.481 1.00 32.10

ATOM 807 C4' GUA 20 30.918 9.313 14.501 1.00 31.90

ATOM 808 04' GUA 20 32.254 9.857 14.657 1.00 31.44

ATOM 809 Cl¹ GUA 20 33.209 8.825 14.490 1.00 30.96

ATOM 810 N9 GUA 20 34.019 8.740 15.701 1.00 29.46

ATOM 811 C4 GUA 20 35.375 8.540 15.750 1.00 27.42

ATOM 812 N3 GUA 20 36.189 8.401 14.685 1.00 28.01

ATOM 813 C2 GUA 20 37.449 8.210 15.044 1.00 25.48

ATOM 814 N2 GUA 20 38.387 8.044 14.108 1.00 25.86

ATOM 815 tJl GUA 20 37.877 8.165 16.349 1.00 26.10

ATOM 816 C6 GUA 20 37.058 8.317 17.464 1.00 28.49

ATOM 817 O6 GUA 20 37.551 8.271 18.600 1.00 28.89

ATOM 818 C5 GUA 20 35.696 8.517 17.091 .1.00 27.51

ATOM 819 TSI7 GUA 20 34/563 8.705 17.872 1.00 27.84

ATOM 820 C8 GUA 20 33.592 8.834 17.006 1.00 27.64

ATOM 821 C2' GUA 20 32.448 7.542 14.137 1.00 31.90

ATOM 822 O2¹ GUA 20 32.411 7.402 12.731 1.00 31.49

ATOM 823 C3' GUA 20 31.079 7.820 14.745 1.00 32.27

ATOM 824 03' GUA 20 30.040 7.094 14.088 1.00 34.26

ATOM 825 P GUA 21 29.519 5.696 14.703 1.00 37.53

ATOM 826 O1P GUA 21 29.392 5.865 16.173 1.00 34.98

ATOM 827 O2P GUA 21 28.327 5.259 13.915 1.00 36.72

ATOM 828 05' GUA 21 30.704 4.664 14.412 1.00 35.18

ATOM 829 C5' GUA 21 31.071 4.310 13.070 1.00 35.86

ATOM 830 C4 ' GUA 21 31.540 2.861 12.996 1.00 36.50

ATOM 831 04 ' GUA 21 32.604 2.644 13.957 1.00 37.45

ATOM 832 Cl' GUA 21 32.168 1.747 14.948 1.00 37.81

ATOM 833 N9 GUA 21 32.814 2.017 16.221 1.00 38.55

ATOM 834 C4 GUA 21 34.135 1.775 16.490 1.00 38.21

ATOM 835 N3 GUA 21 35.044 1.305 15.608 1.00 38.33

ATOM 836 C2 GUA 21 36.239 1.152 16.161 1.00 39.88

ATOM 837 N2 GUA 21 37.263 0.705 15.421 1.00 38.87

ATOM 838 Nl GUA 21 36.516 1.429 17.476 1.00 37.64

ATOM 839 C6 GUA 21 35.596 1.911 18.402 1.00 40.38

ATOM 840 06 GUA 21 35.955 2.124 19.571 1.00 43.57

ATOM 841 C5 GUA 21 34.306 2.091 17.815 1.00 39.25

ATOM 842 N7 GUA 21 33.112 2.550 18.366 1.00 39.10

ATOM 843 C8 GUA 21 32.259 2.496 17.381 1.00 37.13

ATOM 844 C2¹ GUA 21 30.664 1.548 14.854 1.00 37.49

ATOM 845 02" GUA 21 30.427 0.199 15.166 1.00 38.60

ATOM 846^' C3' GUA 21 30.427 1.879 13-383 1.00 36.87

ATOM 847 O3' GUA 21 30.463 0.689 12.585 1.00 37.10

ATOM 848 P CYT 22 29.536 0.537 11.286 1.00 36.81 ATOM 849 O1P CYT 22 28.321 1.369 11.474 1.00 37.33

ATOM 850 O2P CYT 22 30.383 0.726 10.075 1.00 37.66

ATOM 851 O5¹ CYT 22 29.122 -1.000 11.318 1.00 37.74

ATOM 852 C5' CYT 22 28.560 -1.598 12.488 1.00 37.22

ATOM 853 C4' CYT 22 28.065 -2.989 12.160 1.00 36.37

ATOM 854 04' CYT 22 26.970 -2.884 11.207 1.00 36.55

ATOM 855 Cl' CYT 22 27.101 -3.883 10.208 1.00 35.25

ATOM 856 Nl CYT 22 27.408 -3.221 8.922 1.00 33.98

ATOM 857 C6 CYT 22 27.625 -1.873 8.857 1.00 35.42

ATOM 858 C2 CYT 22 27.475 -4.004 7.757 1.00 34.73

ATOM 859 O2 CYT 22 27.285 -5.228 ^•7.849 1.00 32.65

ATOM 860 N3 CYT 22 27.753 -3.405 6.565 1.00 31.80

ATOM 861 C4 CYT 22 27.969 -2.085 6.518 1.00 34.37

ATOM 862 N4 CYT 22 28.257 -1.530 5.326 1.00 26.67

ATOM 863 C5 CYT 22 27.907 -1.269 7.691 1.00 34.25

ATOM 864 C2' CYT 22 28.201 -4.829 10.685 1.00 34.85

ATOM 865 O2' CYT 22 27.629 .-5.815 11.509 1.00 33.63

ATOM 866 C3' CYT 22 29..089 -3.877 11.469 1.00 36.42

ATOM 867 03' CYT 22 29.902 -4.569 12.411 1.00 37.25

ATOM 868 P ADE 23 31.473 -4.757 12.125 1.00 39.68

ATOM 869 O1P ADE 23 31.971 -3.493 11.525 1.00 39.85

ATOM 870 O2P ADE 23 32.101 -5.275 13.365 1.00 38.35

ATOM 871 05' ADE 23 31^'.539 -5.893 11.007 1.00 40.12

ATOM 872 C5¹ ADE 23 31.170 -7.231 11.311 1.00 41.37

ATOM 873 C4¹ ADE 23 31.210 -8.079 10.064 1.00 42.56

ATOM 874 O4' ADE 23 30.219 -7.604 9.116 1.00 40.95

ATOM 875 Cl' ADE 23 30.714 -7.758 7.798 1.00 40.72

ATOM 876 N9 ADE 23 30.810 -6.434 7.190 1.00 38.15

ATOM 877 C4 ADE 23 30.951 -6.173. 5.849 1.00 36.99

ATOM 878 N3 ADE 23 31.046 -7.069 4.847 1.00 38.38

ATOM 879 C2 ADE 23 31.155 -6.451 3.672 1.00 35.38

ATOM 880 Nl ADE 23 31.181 -5.141 3.406 1.00 36.49

ATOM 881 C6 ADE 23 31.090 -4.268 4.441 1.00 35.88

ATOM 882 N6 ADE 23 31.126 -2.957 4.181 1.00 32.46

ATOM 883 C5 ADE 23 30.964 -4.799 5.736 1.00 35.88

ATOM 884 N7 ADE 23 30.849 -4.201 6.983 1.00 37.57

ATOM 885 C8 ADE 23 30.766 -5.212 7.810 1.00 38.04

ATOM 886 C2' ADE 23 32.065 -8.459 7.901 1.00 42.29

ATOM 887 O2' ADE 23 31.855 -9.853 7.830 1.00 43.51

ATOM 888 C3' ADE 23 32.511 -8.017 9.286 1.00 43.33

ATOM 889 O3' ADE 23 33.456 -8.909 9.846 1.00 44.85

ATOM 890 P GUA 24 35.020 ^■=^■8.577 9.735 1.00 46.98

ATOM 891 O1P GUA 24 35.200 -7.116 9.942 1.00 45.47

ATOM 892 O2P GUA 24 35.720 -9.546 10.629 1.00 46.96

ATOM 893 O5^> GUA 24 35.376 -8.915 8.217 1.00 46.23

ATOM 894 C5¹ GUA 24 35.402 -10.268 7.768 1.00 46.47

ATOM 895 C4' GUA 24 35.648 -10.329 6.277 1.00 46.35

ATOM 896 04' GUA 24 34.524 -9.736 5.573 1.00 45.94

ATOM 897 Cl¹ GUA 24 34.984 -9.116 4.381 1.00 45.23

ATOM 898 N9 •GUA 24 34.744 -7.680 4.479 1.00 43.68

ATOM 899 C4 GUA 24 34.641 -6.805 3.424 1.00 42.88

ATOM 900 N3 GUA 24 34.725 -7.130 2.116 1.00 42.49

ATOM 901 C2 GUA 24 34.594 -6.071 1.332 1.00 43.56

ATOM . 902 N2 GUA 24 34.658 -6.216 -0.003 1.00 43.06

ATOM 903 Nl GUA 24 34.393 -4.791 1.797 1.00 41.05

ATOM 904 C6 GUA 24 34.300 -4.434 3.142 1.00 40.32

ATOM 905 O6 GUA 24 34.114 -3.251 3.454 1.00 36.24

ATOM 906 C5 GUA 24 34.443 -5.564 3.995 1.00 40.97

ATOM 907 • N7 GUA 24 34.419 -5.658 5.381 1.00 41.65 ATOM 908 C8 GUA 24 34.598 -6.930 5.623 1.00 40.88

ATOM 909 C2' GUA 24 36.479 -9.409 4.284 1.00 45.92

ATOM 910 02' GUA 24 36.675 -10.609 3.560 1.00 45.76

ATOM 911 C3' GUA 24 36.837 -9.543 5.754 1.00 46.51

ATOM 912 03' GUA 24 38.070 -10.225 5.931 1.00 48.41

ATOM 913 P GUA 25 39.429 -9.376 6.027 1.00 50.23

ATOM 914 OIP GUA 25 39.191 -8.256 6.978 1.00 51.20

ATOM 915 O2P GUA 25 40.550 -10.316 6.269 1.00 50.85

ATOM 916 05' GUA 25 39.593 -8.753 4.568 1.00 49.17

ATOM 917 C5' GUA 25 39.842 -9.595 3.451 1.00 49.30

ATOM 918 C4' GUA • 25 39.844 -8.797 2.171 1.00 49.25

ATOM 919 04' GUA 25 38.529 -8.215 1.948 1.00 48.12

ATOM 920 Cl¹ GUA 25 38.667 -6.993 1.232 1.00 47.36

ATOM 921 N9 GUA 25 38.187 -5.900 2.070 1.00 44.56

ATOM 922 C4 GUA 25 37.886 -4.632 1.649 1.00 43.32

ATOM 923 N3 GUA 25 37.937 -4.186 0.377 1.00 42.80

ATOM 924 C2 GUA .25 37.617 -2.906 0.289 1.00 42.87

ATOM 925 N2 GUA 25 37.611 -2.301 -0.907 1.00 44.08

ATOM 926 Nl GUA^' 25 37.277 -2.125 1.366 1.00 41.09

ATOM 927 C6 GUA 25 37.221 -2.562 2.685 1.00 42.27

ATOM 928 06 GUA 25 36.912 -1.771 3.586 1.00 40.64

ATOM 929 C5 GUA 25 37.557 -3.937 2.793 1.00 42.94

ATOM 930 N7 GUA 25 37.625 -4.760 3.907 1.00 43.28

ATOM 931 C8 GUA 25 37.992 -5.917 3.430 1.00 44.44

ATOM 932 C2' GUA 25 40.15.9 -6.814 0.958 1.00 48.77

ATOM 933 O2' GUA 25 40.469 -7.365 -0.303 1.00 49.39

ATOM 934 C3¹ GUA 25 40.759 -7.588 2.123 1.00 49.86

ATOM 935 03' GUA 25 42.117 -7.939 1.897 1.00 51.15

ATOM 936 P GUA 26 43.285 -6.972 2.436 1.00 52.45

ATOM 937 OIP GUA 26 42.963 -6.586 3.836 1.00 51.33

ATOM 938 O2P GUA 26 44.583 -7.630 2.138 1.00 52.27

ATOM 939 O5' GUA 26 43.165 -5.676 1.517 1.00 51.06

ATOM 940 C5' GUA 26 43.312 -5.777 0.106 1.00 50.35

ATOM 941 C4¹ GUA 26 42.996 -4.456 -0.561 1.00 49.66

ATOM 942 O4¹ GUA 26 41.611 -4.100 -0.305 1.00 48.88

ATOM 943 Cl¹ GUA 26 41.482 -2.682 -0.268 1.00 47.79

ATOM 944 N9 GUA 26 41.020 -2.283 1.058 1.00 45.18

ATOM 945 C4 GUA 26 40.518 -1.048 1.408 1.00 42.77

ATOM 946 N3 GUA 26 40.353 0.007 0.577 1.00 42.11

ATOM 947 C2 GUA 26 39.853 1.058 1.205 1.00 40.97

ATOM 948 N2 GUA 26 39.625 2.198 0.531 1.00 40.06

ATOM 949 Nl GUA 26 39.537 1.073 2.540 1.00 39.99

ATOM 950 C6 GUA 26 39.695 0.005 3.412 1.00 39.73

ATOM 951 06 GUA 26 39.372 0.131 4.598 1.00 38.69

ATOM 952 C5 GUA 26 40.237 -1.134 2.752 1.00 41.20

ATOM 953 N7 GUA 26 40.552 -2.397 3.242 1.00 42.22

ATOM 954 C8 GUA 26 41.010 -3.043 2.205 1.00 42.61

ATOM 955 C2' GUA 26 42.867 -2.109 -0.557 1.00 49.21

ATOM 956 O2' GUA 26 42.996 -1.857 -1.945 1.00 48.86

ATOM 957 C3' GUA . 26 43.752 -3.240^* -0.057 1.00 49.88

ATOM 958 O3' GUA 26 45.068 -3.151 -0.582 1.00 51.38

ATOM 959 P URI 27 46.221 . -2.455 0.299 1.00 52.25

ATOM 960 OIP URI 27 46.136 -3.024 1.667 1.00 51.61

ATOM 961 O2P URI 27 47.501 -2.529 -0.450 1.00 52.39

ATOM 962 05' URI 27 45.783 -0.930 0.367 1.00 51.85

ATOM 963 C5¹ URI 27 45.667 -0.162 -0.820 1.00 52.35

ATOM 964 C4' URI 27 45.154 1.216 -0.495 1.00 53.02

ATOM 965 04' URI 27 .43.816 1.115 0.063 1.00 52.48

ATOM 966 Cl' URI 27 43.626 2.135 ^• 1.029 1.00 51.28 ATOM 967 Nl URI 27 43.317 1.505 2.322 1.00 47.82

ATOM 968 C6 URI 27 43.733 0.229 2.621 1.00 46.01

ATOM 969 C2 URI 27 42.590 2.247 3.234 1.00 45.63

ATOM 970 O2 ORI 27 42.206 3.380 3.005 1.00 44.73

ATOM 971 N3 URI 27 42.332 1.614 4.424 1.00 43.01

ATOM 972 C4 URI 27 42.718 0.346 4.789 1.00 44.08

ATOM 973 04 URI 27 42.409 -0.083 5.901 1.00 44.08

ATOM 974 C5 URI 27 43.466 -0.360 3.792 1.00 44.68

ATOM 975 C2' URI 27 44.906 2.9.74 1.054 1.00 53.12

ATOM 976 02' URI 27 44.758 4.060 0.160 1.00 53.92

ATOM 977 C3' URI 27 45.938 1.964 0.568 1.00 54.12

ATOM 978 03' URI 27 47.082 2.593 -0.006 1.00 57.02

ATOM 979 P URI 28 48.348 2.955 0.920 1.00 59.52

ATOM 980 O1P URI 28 48.443 1.956 2.016 1.00 59.37

ATOM 981 O2P URI 28 49.502 3.148 0.005 1.00 60.06

ATOM 982 O5' URI 28 47.959 4.369 1.549 1.00 61.36

ATOM 983 C5" URI 28 47.375 5.368 0.721 1.00 64.25

ATOM 984 C4¹ URI 28 47.007 6.604 1.513 1.00 65.62

ATOM 985 O4" URI 28 45.913 6.307 2.427 1.00 65.97

ATOM 986 Cl¹ URI 28 46.352 6.423 3.763 1.00 65.05

ATOM 987 Nl URI 28 45.655 5.463 4.633 1.00 63.15

ATOM 988 C6 URI 28 45.978 4.127 4.696 1.00 61.84

ATOM 989 C2 URI 28 44.641 5.987 5.423 1.00 61.54

ATOM 990 O2 URI 28 44.316 7.160 5.382 1.00 59.69

ATOM 991 N3 URI 28 44.022 5.092 6.256 1.00 59.61

ATOM 992 C4 URI 28 44.297 3.753 6.381 1.00 59.25

ATOM 993 04 URI 28 43.655 3.085 7.192 1.00 57.40

ATOM 994 C5 URI 28 45.350 3.274 5.524 1.00 60.15

ATOM 995 C2¹ URI 28 47.872 6.560 3.804 1.00 65.93

ATOM 996 O2¹ URI 28 48.166 7.513 4.801 1.00 66.07

ATOM 997 C3¹ URI 28 48.164 7.069 2.389 1.00 66.61

ATOM 998 O3' URI 28 48.530 8.433 2.177 1.00 68.78

ATOM 999 P URI 29 49.878 9.012 2.823 1.00 70.56

ATOM 1000 O1P URI 29 50.575 7.888 3.502 1.00 71.51

ATOM 1001 O2P URI 29 50.585 9.785 1.768 1.00 71.81

ATOM 1002 O5¹ URI 29 49.372 10.032 3.939 1.00 70.36

ATOM 1003 O3¹ URI 29 44.602 12.847 5.334 1.00 56.06

ATOM 1004 P ADE 30 44.532 11.243 5.258 1.00 56.67

ATOM 1005 O1P ADE 30 44.600 10.871 3.813 1.00 56.66

ATOM 1006 O2P ADE 30 45.552 10.709 6.200 1.00 56.42

ATOM 1007 O5' ADE 30 43.076 10.890 5.823 1.00 53.38

ATOM 1008 C5¹ ADE 30 41.901 11.445 5.223 1.00 49.90

ATOM 1009 C4 ' ADE 30 40.762 11.532 6.229 1.00 47.24

ATOM 1010 O4' ADE 30 40.313 10.202 6.593 1.00 46.17

ATOM 1011 Cl¹ ADE 30 40.637 9.935 7.938 1.00 44.40

ATOM 1012 N9 ADE 30 41.066 8.542 8.063 1.00 43.80

ATOM 1013 C4 ADE 30 40.488 7.628 8.911 1.00 42.02

ATOM 1014 N3 ADE 30 39.481 7.844 9.774 1.00 40.58

ATOM 1015 C2 ADE 30 39.169 6.727 10.420 1.00 41.50

ATOM 1016 Nl ADE 30 39.710 5.508 10.313 1.00 41.99

ATOM 1017 C6 ADE 30 40.724 5.322 9.436 1.00 42.29

ATOM 1018 N6 ADE 30 41.263 4.104 9.333 1.00 40.72

ATOM 1019 C5 ADE 30 41.147 6.433 8.684 1.00 41.91

ATOM 1020 N7 ADE 30 42.134 6.590 7.721 1.00 42.25

ATOM 1021 C8 ADE 30 42.051 7.859 7.389 1.00 42.79

ATOM 1022 C2¹ ADE 30 41.506 11.063 8.498 1.00 44.14

ATOM 1023 O2¹ ADE 30 41.054 11.344 9.804 1.00 44.69

ATOM 1024 C3¹ ADE 30 41.185 12.206 7.532 1.00 45.21

ATOM 1025 03' ADE 30 40.195 13.124 8.010 1.00 43.07 ATOM 1026 P URI 31 40.390 14.710 7.842 1.00 43.18

ATOM 1027 O1P URI 31 41.583 15.107 8.633 1.00 43.72

ATOM 1028 O2P URI 31 40.321 15.050 6.396 1.00 44.18

ATOM 1029 05' URI 31 39.084 15.301 8.539 1.00 40.98

ATOM 1030 C5¹ URI 31 37.805 15.136 7.940 1.00 37.15

ATOM 1031 C4 ' URI 31 36.721 15.553 8.904 1. 00 35.73

ATOM 1032 O4 ' URI 31 36.529 14.533 9.919 1.00 35.34

ATOM 1033 Cl' URI 31 36.220 15.147 11.161 1.00 32.45

ATOM 1034 Nl URI 31 37.291 14.826 12.117 1.00 29.92

ATOM 1035 C6 URI 31 38.481 14.281 11.707 1.00 28.18

ATOM 1036 C2 URI 31 37.052 15.090 13.454 1.00 29.43

ATOM 1037 02 URI . 31 36.010 15.578 13.848 1.00 30.23

ATOM 1038 N3 URI 31 38.076 14.760 14.310 1.00 27.65

ATOM 1039 C4 URI 31 39.290 14.207 13.971 1.00 27.85

ATOM 1040 O4 URI 31 40.103 13.940 14.861 1.00 27.35

ATOM 1041 C5 URI 31 39.466 13.968 12.563 1.00 30.66

ATOM 1042 C2¹ URI 31 36.092 16.646 10.900 1.00 32.14

ATOM 1043 02' URI 31 34.741 16.957 10.630 1.00 31.04

ATOM 1044 C3' URI 31 37.009 16.815 9.694 1.00 34.02

ATOM 1045 03' URI . 31 36.724 17.986 8.935 1.00 33.68

ATOM 1046 P CYT 32 37.510 19.354 9.258 1, 00 34.50

ATOM 1047 O1P CYT 32 38.953 19.054 9.414 1, 00 32.47

ATOM 1048 O2P CYT 32 37.071 20.384 . 8.268 1, 00 34.36

ATOM 1049 O5' CYT 32 36.965 19.779 10.696 1, 00 33.38

ATOM 1050 C5' CYT 32 35; 633 20.250 10.854 1.00 32.21

ATOM 1051 C4' CYT 32 35.321 20.454 12.315 1 00 31.15

ATOM 1052 04' CYT 32 35.526 19.194 13.018 1, 00 31.47

ATOM 1053 Cl' CYT 32 35.947 19.463 14.353 1, 00 29.53

ATOM 1054 Nl CYT 32 37.287 18.887 14.568 1.00 28.15

ATOM 1055 C6 CYT 32 38.045 18.428 13.528 1.00 24.72

ATOM 1056 C2 CYT 32 37.767 18.812 15.879 1.00 26.53

ATOM 1057 02 CYT 32 3.7.066 19.275 16.795 00 25.68

ATOM 1058 N3 CYT 32 38.976 18.247 16.111 00 24.65

ATOM 1059 C4 CYT ^' 32 39.703 17.781 15.088 00 27.17

ATOM 1060 N4 CYT 32 40.888 17.215 15.364 00 25.79

ATOM 1061 C5 CYT 32 39.248 17.872 13.738 00 25.00

ATOM 1062 C2' CYT 32 35.955 20.981 14.510 00 30.13

ATOM 1063 02 ^r CYT 32 34.683 21.411 14.952 00 27.27

ATOM 1064 C3' CYT 32 36.231 21.405 13.079 00 30.81

ATOM 1065 O3' CYT 32 35.911 22.772 12.885 00 32.25

ATOM 1066 P GUA 33 36.961 23.715 12.133 00 34.20

ATOM 1067 O1P GUA 33 38.188 22.912 11.938 00 32.70

ATOM 1068 O2P GUA 33 36.259 24.294 10.959 00 36.09

ATOM 1069 05" GUA 33 37.398 24.857 13.168 00 34.85

ATOM 1070 C5' GUA 33 36.484 25.413 14.099 00 34.35

ATOM 1071 C4' GUA 33 36.804 24.971^' 15.521 00 29.80-

ATOM 1072 04' GUA 33 37.038 23.541 15.557 00 29.62

ATOM 1073 Cl' GUA 33 37.683 23.211 16.781 00 28.47

ATOM 1074 N9 GUA 33 38.887 22.428 16.517 00 27.80

ATOM 1075 C4 GUA 33 39.741 21.921 17.478 00 29.24

ATOM 1076 N3 GUA 33 39.628 22.101 18.814 00 27.72

ATOM 1077 C2 GUA 33 40.582 21.467 19.484 00 28.47

ATOM 1078 N2 GUA 33 40.617 21.546 20.820 00 26.79

ATOM 1079 Nl GUA 33 41.571 20.714 18.890 00 28.43

ATOM 1080 C6 GUA 33 41.709 20.518 17.513 00 31.14

ATOM 1081 06 GUA 33 42.639 19.818 17.079 1.00 29.35

ATOM 1082 C5 GUA 33 40.689 21.198 16.783 1.00 28.41

ATOM 1083 N7 GUA 33 40.453 21.268 15.416 1.00 31.01

ATOM 1084 C8 GUA 33 39.382 22.015 15.305 1.00 29.07 ATOM 1085 C2' GUA 33 37.985 24.538 17.475 1.,00 29.35

ATOM 1086 02' GUA 33 36.869 24.827 18.295 1..00 27-20

ATOM 1087 C3¹ GUA 33 38.021 25.485 16.282 1..00 30.10

ATOM 1088 03' GUA 33 37.838 26.808 16.768 1..00 29.29

ATOM 1089 P ADE 34 39.116 27.763 17.018 1..00 29.79

ATOM 1090 O1P ADE 34 40.165 27.510 16.002 1..00 28.05

ATOM 1091 O2P ADE 34 38.562 29.131 17.181 1..00 29.14

ATOM 1092 05' ADE 34 39.723 27.271 18.412 1..00 29.49

ATOM 1093 C5¹ ADE 34 39.022 27.470 19.632 1..00 28.88

ATOM 1094 C4' ADE 34 39.898 27.080 20.804 1.00 29.13

ATOM 1095 04' ADE 34 40.110 25.637 20.823 1.00 27.91

ATOM 1096 Cl' ADE 34 41.417 25.358 21.288 1.00 28.05

ATOM 1097 N9 ADE 34 42.146 24.663 20.229 1.00 28.68

ATOM 1098 C4 ADE 34 43.272 23.890 20.400 1.00 28.69

ATOM 1099 N3 ADE 34 43.922 23.645 21.548 1.00 29.80

ATOM 1100 C2 ADE 34 44.965 22.848 21.338 1. 00 30.75

ATOM 1101 Nl ADE 34 45.402 22.302 20.193 1.00 31.01

ATOM 1102 CG ADE 34 44.729 22.567 19.055 1.00 30.01

ATOM 1103 N6 ADE 34 45.170 22.019 17.916 1, 00 29.62

ATOM 1104 C5 ADE 34 43.598 23.409 19.144 1, 00 28.49

ATOM 1105 N7 ADE 34 42-703 23.884 18.192 1.00 29.51

ATOM 1106 C8 ADE 34 41.864 24.623 18.885 1.00 28.23

ATOM 1107 C2' ADE 34 42.050 26.695 21.683 1.00 28.03

ATOM 1108 02' ADE 34 41.785 26.943 23.049 1.00 27.65

ATOM 1109 C3' ADE 34 41.299 27.662 20.775 1.00 28.08

ATOM 1110 O3' ADE 34 41.305 28.998 21.280 1.00 28.31

ATOM 1111 P GUA 35 42.379 30.054 20.716 1.00 29.89

ATOM 1112 OlP GUA 35 43.330 29.319 19.838 1.00 29.40

ATOM 1113 O2P GUA 35 41.621 31.194 20.176 1.00 29.16

ATOM 1114 O5' GUA 35 43.185 30.532 22.016 1.00 30.61

ATOM 1115 C5' GUA 35 44.313 29.794 22.522 1.00 31.79

ATOM 1116 C4' GUA 35 44.887 30.485 23.752 1, 00 31.40

ATOM 1117 04' GUA 35 43.909 31.327 24.357 1.00 30.82

ATOM 1118 Cl¹ GUA 35 44.009 31.225 25.746 1.00 31.32

ATOM 1119 N9 GUA 35 42.721 31.589 26.300 00 30.52

ATOM 1120 C4 GUA 35 41.516 31.042 25.989 00 28.73

ATOM 1121 N3 GUA 35 41.316 29.991 25.167 00 28.46

ATOM 1122 C2 GUA 35 40.031 29.730 25.014 00 28-98

ATOM 1123 N2 GUA 35 39.640 28.709 24.231 00 27.22

ATOM 1124 Nl GUA 35 39.030 30.451 25.617 00 27.40

ATOM 1125 Cβ GUA 35 39.222 31.540 26.463 1.00 27.47

ATOM 1126 O6 GUA 35 38.248 32.131 26.937 1.00 27.17

ATOM 1127 C5 GUA 35 40.582 31.818 26.640 1.00 25.87

ATOM 1128 N7 GUA 35 41.202 32.807 27.390 1. 00 29.25

ATOM 1129 C8 GUA 35 42.470 32.622 27.174 1, 00 28.05

ATOM 1130 C2¹ GUA 35 44.678 29.897 26.110 1, 00 31.20

ATOM 1131 O2¹ GUA 35 45.497 30.071 27.240 1.00 32.73

ATOM 1132 C3' GUA 35 45.431 29.540 24.818 1.00 32.14

ATOM 1133 O3' GUA 35 46.809 29.874 25.056 1.00 34.69

ATOM 1134 P ADE 36 47.922 29.691 23.907 1.00 35.74

ATOM 1135 O1P ADE 36 47,439 30.240 22.617 1.00 36.67

ATOM 1136 02P ADE 36 49.211 30.171 24.468 1.00 36.76

ATOM 1137 05' ADE 36 48.026 28.116 23.767 1.00 34.59

ATOM 1138 C5' ADE 36 48.745 27.342 24.715 1.00 35.99

ATOM 1139 C4' ADE 36 49.308 26.134 24.030 00 34.82

ATOM 1140 04 ' ADE 36 48.209 25.309 23.570 00 35.48

ATOM 1141 Cl¹ ADE 36 48.408 24.953 22.212 00 35.14

ATOM 1142 N9 ADE 36 47.364 25.620 21.430 00 32.81

ATOM 1143 C4 ADE 36 47.089 25.491 20.089 1.00 31.74 ATOM 1144 N3 ADE 36 47.753 24.754 19.185 1.00 34.27

ATOM 1145 C2 ADE 36 47.187 24.862 17.983 1.00 33.45

ATOM 1146 Nl ADE 36 46.107 25.571 17.610 1.00 32.68

ATOM 1147 C6 ADE 36 45.459 26.298 18.543 1.00 30.37

ATOM 1148 N6 ADE 36 44.376 26.999 18.173 1.00 29.46

ATOM 1149 C5 ADE 36 45.965 26.273 19.858 1.00 32.16

ATOM 1150 N7 ADE 36 45.554 26.901 21.027 1.00 30.18

ATOM 1151 C8 ADE 36 46.418 26.490 21.925 1.00 32.94

ATOM 1152 C2' ADE 36 49.850 25.326 21.858 1, 00 35.25

ATOM 1153 O2¹ ADE 36 50.678 24.219 22.139 1.00 37-08

ATOM 1154 C3¹ ADE 36 50.093 26.513 22.786 1.00 35.97

ATOM 1155 O3¹ ADE 36 51.458 26.698 23.150 .00 37.25

ATOM 1156 P CYT 37 52.306 27.904 22.512 .00 39.55

ATOM 1157 O1P CYT 37 51.455 29.124 22.494 .00 39.21

ATOM 1158 O2P CYT 37 53.605 27.925 23.236 .00 39.50

ATOM 1159 O5¹ CYT 37 52.569 27.398 21.030 .00 40.27

ATOM 1160 C5' CYT 37 52.920 26.037 20.824 .00 43.39

ATOM 1161 C4 ' CYT 37 53.144 25.743 19.361 .00 44.86

ATOM 1162 O4' CYT 37 51.869 25.712 18.658 .00 44.90

ATOM 1163 Cl¹ CYT 37 51.760 26.802 17.758 1.00 44.71

ATOM 1164 Nl CYT 37 50.427 27.410 17.875 1. ,00 42.66

ATOM 1165 C6 CYT 37 50.036 28.053 19.015 1.,00 43.67

ATOM 1166 C2 CYT 37 49.557 27.328 16.773 1..00 42.18

ATOM 1167 02 CYT 37 49.929 26.719 15.754 1..00 39.12

ATOM 1168 N3 CYT 37 48.342 27.908 16-846 1.,00 38.28

ATOM 1169 C4 CYT 37 47.975 28.546 17.957 1.,00 40.90

ATOM 1170 N4 CYT 37 46.768 29.117 17.978 1..00 41.83

ATOM 1171 C5 CYT 37 48.830 28.632 19.098 1..00 42.01

ATOM 1172 C2' CYT 37 52.955 27.738 17.941 1.,00 45.55

ATOM 1173 O2¹ CYT 37 53.389 28.156 16.666 1..00 48.06

ATOM 1174 C3' CYT 37 53.941 26.833 18.678 1..00 45.27

ATOM 1175 03 ' CYT 37 55.352 26.696 18.483 1.,00 46.86

ATOM 1176 P ADE 38 55.919 25.797 17.281 1.,00 44.02

ATOM 1177 O1P ADE 38 55.057 26.003 16.098 1..00 46.06

ATOM 1178 O2P ADE 38 57.366 26.076 17.197 1..00 46.64

ATOM 1179 O5^r ADE 38 55.727 24.285 17.759 1..00 41.74

ATOM 1180 C5¹ ADE 38 54.943 23.376 16.986 1..00 37.06

ATOM 1181 C4 ' ADE 38 55.626 22.026 16.875 1..00 36.07

ATOM 1182 04' ADE 38 56.930 22.166 16.254 1.00 34.09

ATOM 1183 Cl¹ ADE 38 57.933 21.851 17.189 1.00 34.68

ATOM 1184 N9 ADE 38 59.116 22.662 16.940 00 34.73

ATOM 1185 C4 ADE 38 60.240 22.160 16.336 00 34.70

ATOM 1186 N3 ADE 38 60.445 20.894 15.929 00 34.09

ATOM 1187 C2 ADE 38 61.645 20.773 15.363 00 36.35

ATOM 1188 Nl ADE 38 62.586 21.704 15.171 00 35.00

ATOM 1189 C6 ADE 38 62.341 22.968 15.592 00 36.02

ATOM ll^"90 N6 ADE 38 63.272 23.902 15.394 00 35.96

ATOM 1191 C5 ADE 38 61.108 23.224 16.214 00 34.23

ATOM 1192 N7 ADE 38 60.550 24.376 16.753 00 34.83

ATOM 1193 C8 ADE 38 59.371 23.986 17.178 00 35.41

ATOM 1194 C2¹ ADE 38 57.329 21.728 18.587 00 34.54

ATOM 1195 02' ADE 38 58.025 20.701 19.263 00 35.67

ATOM 1196 C3' ADE 38 55.877 21.389 18.243 00 33.82

ATOM 1197 O3' ADE 38 55.617 19.996 18.101 00 34.23

ATOM 1198 P URI 39 55.193 19.089 19.356 00 33.39

ATOM 1199 O1P URI 39 56.013 17.851 19.181 00 32.44

ATOM 1200 02P URI 39 55.307 19.864 20.622 00 31.99

ATOM 1201 05' URI 39 53.655 18.772 19.046 1.00 31.24

ATOM 1202 C5' URI 39 53.286 17.766 18.084 1.00 30.38 ATOM 1203 C4¹ URI 39 52.145 18.232 17.180 1.00 30.69

ATOM 1204 04 ' URI 39 50.932 18.432 17.948 1.00 29.91

ATOM 1205 Cl' URI 39 50.562 19.791 17.919 1.00 31.51

ATOM 1206 Nl URI 39 49.899 20.187 19.167 1, 00 30.94

ATOM 1207 C6 URI 39 50.513 20.085 20.387 1.00 29.98

ATOM 1208 C2 URI 39 48.600 20.674 19.054 1.00 31.87

ATOM 1209 02 URI 39 48.018 20.792 17.978 1.00 28.99

ATOM 1210 N3 URI 39 48.007 21.016 20.241 1, 00 30.01

ATOM 1211 C4 URI 39 48.566 20.935 21.492 1.00 29.14

ATOM 1212 04 URI 39 47.904 21.287 22.463 .00 30.20

ATOM 1213 C5 URI 39 49.909 20.434 21.523 ,00 28.01

ATOM 1214 C2' URI 39 51.711 20.626 17.369 .00 32.05

ATOM 1215 02' URI 39 51.118. 21.651 16.601 .00 31.56

ATOM 1216 C3' URI 39 52.450 19.584 16.531 .00 31.70

ATOM 1217 O3' URI 39 52.128^' 19.633 15.141 .00 33.66

ATOM 1218 P CYT 40 53.005 18.813 14.069 .00 34.67

ATOM 1219 O1P CYT 40 53.266 17.453 14.607 .00 33.89

ATOM 1220 02P CYT 40 52.346 18.964 12.7.46 .00 35.21

ATOM 1221 O5' CYT 40 54.390 19.593 14.031 l.^'OO 34.54

ATOM 1222 C5' CYT 40 54.574 20.715 13.189 1. 00 35.26

ATOM 1223 C4' CYT 40 55.933 20.643 12.541 1, 00 35.52

ATOM 1224 04 ' CYT 40 56.971 20.774 13.554 1.00 35.36

ATOM 1225 Cl¹ CYT 40 58.075 19.949 13.208 1.00 36.23

ATOM 1226 Nl CYT 40 58.233 18.922 14.253 1.00 35.32

ATOM 1227 C6 CYT 40 57.252 18.699 15.183 1.00 34.48

ATOM 1228 C2 CYT 40 59.403 18.165 14.267 1.00 35.58

ATOM 1229 O2 CYT 40 60.272 18.400 13.415 1.00 34.10

ATOM 1230 N3 CYT 40 59.557 17.195 15.203 1.00 33.58

ATOM 1231 C4 CYT 40 58.592 16.978 16.100 1.00 34.66

ATOM 1232 N4 CYT 40 58.784 16.012 16.997 1.00 32.28

ATOM 1233 C5 CYT 40 57.387 17.745 16.114 1.00 33.21

ATOM 1234 C2¹ CYT 40 57.755 19.320 11.847 1.00 35.76

ATOM 1235 02' CYT 40 58.241 20.134 10.797 1.00 35.67

ATOM 1236 C3' CYT 40 56.237 19.307 11.886 1, 00 35.88

ATOM 1237 03' CYT 40 55.674 19.223 10.586 1.00 36.94

ATOM 1238 P GUA 41 55.088 17.821 10.071 1.00 39.25

ATOM 1239 O1P GUA 41 54.168 17.300 11.120 1.00 38.73

ATOM 1240 O2P GUA 41 54.589 18.003 8.681 1.00 39.42

ATOM 1241 05' GUA 41 56.365 16.871 10.036 1.00 38.04

ATOM 1242 C5¹ GUA 41 57.482 17.181 9.210 1.00.38.20

ATOM 1243 C4 ' GUA 41 58.599 16.194 9.453 1, 00 38.31

ATOM 1244 04 ' GUA 41 59.177 16.404 10.773 1.00 37.40

ATOM 1245 Cl' GUA 41 59.574 15.156 11.324 1.00 36.80

ATOM 1246 N9 GUA 41 58.753 14.903 12.505 1.00 35.77

ATOM 1247 C4 GUA 41 58.968 13.939 13.460 1, 00 35.78

ATOM 1248 N3 GUA 41 60.001 13.074 13.494 1.00 34.64

ATOM 1249 C2 GUA 41 59.923 12.248 14.524 1.00 35.94

ATOM 1250 N2 GUA 41 60.876 11.314 14.702 1, 00 36.^'23

ATOM 1251 Nl GUA 41 58.907 12.275 15.453 1.00 35.04

ATOM 1252 C6 GUA 41 57.831 13.163 15.437 1.00 34.18

ATOM 1253 O6 GUA 41 56.965 13.106 16.319 1.00 34.28

ATOM 1254 C5 GUA 41 57.905 14.048 14.336 ,00 34.99

ATOM 1255 N7 GUA 41 57.050 15.069 13.951 00 33.21

ATOM 1256 C8 GUA 41 57.595 15.553 12.866 ,00 36.86

ATOM 1257 C2' GUA 41 59.329 14.101 10.240 .00 37.01

ATOM 1258 02' GUA 41 60.487 13.944 9.446 ,00 37.18

ATOM 1259 C3' GUA 41 58.183 14.737 9.469 ,00 37.81

ATOM ^'1260 03' GUA 41 58.046 14.216 8.157 ,00 39.65

ATOM 1261 P GUA 42 57.047 12.989 7.900 1.00 40.79 ATOM 1262 O1P GUA 42 55.810 13.271 8.679 1.00 40.16

ATOiXI 1263 O2P GUA 42 56.956 12.760 6.435 1.00 42.09

ATOM 1264 O5' GUA 42 57.790 11.747 8.571 1.00 40.90

ATOM 1265 C5' GUA 42 59.115 11.397 8.184 1.00 42.93

ATOM 1266 C4 ' GUA 42 59.636 10.258 9.033 1.00 44.12

ATOM 1267 04' GUA 42 59.848 10.705 10.403 1.00 44.55

ATOM 1268 Cl' GUA 42 59.604 9.627 11.299 1.00 43.47

ATOM 1269 N9 GUA 42 58.502 10.008 12.176 1.00 41.84

ATOM 1270 C4 GUA 42 58.076 9.347 13.309 1.00 41.31

ATOM 1271 N3 GUA 42 58.613 8.218 13.823 1.00 40.51

ATOM 1272 C2 GUA 42 57.976 7.821 14.917 1.00 40.89

ATOM 1273 N2 GUA 42 58.377 6.714 15.564 1.00 38.75

ATOM 1274^' Nl GUA ^' 42 56.901 8.478 15.458 1.00 38.95

ATOM 1275 ^• C6 GUA 42 56.330 9.641 14.949 1.00 39.10

ATOM 1276 06 GUA 42 55.354 10.151 15.521 i.oo 35.79

ATOM 1277 C5 GUA 42 57.002 10.080 13.779 1.00 40.29

ATOM 1278 N7 GUA 42 56.762 11.178 12.964 1 1,.00 41.12

ATOM 1279 C8 GUA 42 57.674 11.097 12.032 1 1..00 42.49

ATOM 1280 C2¹ GUA 42 59.279 8.402 10.438 1 1,.00 43.75

ATOM 1281 O2¹ GUA 42 60.461 7.685 10.148 1 1,.00 43.94

ATOM 1282 C3' GUA 42 58.715 9.060 9.189 1 1,.00 44.41

ATOM 1283 03' GUA 42 58.785 8.184 8.070 1.00 45.63

ATOM 1284 ^■ P CYT 43 57.501 7.299 7.682 1.00 46.61

ATOM 1285 O1P CYT 43 56.300 8.175 7.787 1.00 46.64

ATOM 1286 O2P CYT 43 57.794 6.606 6.402 1.00 46.82

ATOM 1287 05' CYT 43 57.411 6.214 8.848 1.00 45.51

ATOM 1288 C5' CYT 43 58.361 5.157 8.930 1.00 45.74

ATOM 1289 C4 ' CYT 43 58.074 4.276 10.124 1.00 45.87

ATOM 1290 04' CYT 43 58.229 5.052 11.348 1.00 46.64

ATOM 1291 Cl' CYT 43 57.309 4.584 12.330 1.00 45.35

ATOM 1292 Nl CYT 43 56.326 5.647 12.595 1.00 43.53

ATOM 1293 C6 CYT 43 56.182 6.706 11.743 1.00 42.43

ATOM 1294 C2 CYT 43 55.518 5.540 13.730 1.00 44.64

ATOM 1295 02 CYT 43 55.689 4.570 14.501 1.00 43.68

ATOM 1296 N3 CYT 43 54.573 6.488 13.962 1.00 43.25

ATOM 1297 C4 CYT 43 54.430 7.509 13.112 1.00 41.77

ATOM 1298 N4 CYT 43 53.481 8.409 13.370 1.00 41.09

ATOM 1299 C5 CYT 43 55.254 7.648 11.959 1.00 42.33

ATOM 1300 C2¹ CYT 43 56.623 3.361 11.722 1.00 45.26

ATOM 1301 O2' CYT 43 57.379 2.203 12.016 1.00 43.72

ATOM 1302 C3' CYT 43 56.664 3.724 10.247 1.00 45.90

ATOM 1303 03' CYT 43 56.413 2.606 9.402 1.00 45.49

ATOM 1304 P GUA 44 54.938 2.403 8.788 1.00 47.37

ATOM 1305 O1P GUA 44 54.444 3.727 8.337 1.00 46.34

ATOM 1306 O2P GUA 44 54.974 1.265 7.829 1.00 47.05

ATOM 1307 05' GUA 44 54.058 1.954 10.040 1.00 46.76

ATOM 1308 C5¹ GUA 44 54.359 0.746 10.721 1.00 44.66

ATOM 1309 C4 ' GUA 44 53.562 0.636 11.996 1.00 43.95

ATOM 1310 04 ' GUA 44 53.847 1.782 12.845 1.00 42.41

ATOM 1311 Cl' GUA 44 52.732 2.025 13.685 1.00 41.78

ATOM 1312 N9 GUA 44 52.224 3.367 13.430 1.00 38.47

ATOM 1313 C4 GUA 44 51.324 4.036 14.218 1.00 36.62

ATOM 1314 N3 GUA 44 50.807 3.587 15.377 1.00 35.96

ATOM 1315 C2 GUA 44 49.939 4.437 15.897 1.00 35.36

ATOM 1316 N2 GUA 44 49.326 4.140 17.057 1 00 33.41

ATOM 1317 Nl GUA 44 49.606 5.636 15.318 1, 00 34.95

ATOM 1318 C6 GUA 44 50.126 6.116 14.124 1, 00 34.97

ATOM 1319 06 GUA 44 49.751 7.200 13.687 1.00 35.07

ATOM 1320 C5 GUA 44 51.064 5.213 13.559 1.00 36.01 ATOM 1321 N7 GUA 44 51.812 5.300 12.393 1.00 36.99

ATOM 1322 C8 GUA 44 52.493 4.185 12.363 1.00 38.31

ATOM 1323 C2' GUA 44 51.673 0.978 13.328 1.00 42.46

ATOM 1324 O2¹ GUA 44 51.823 •0.140 14.177 1.00 41.47

ATOM 1325 C3¹ GUA 44 52.046 0.660 11.887 1.00 43.97

ATOM 1326 O3¹ GUA 44 51.510 ■0.602 11.485 1.00 46.16

ATOM 1327 P GUA 45 50.173 •0.660 10.585 1.00 48.73

ATOM 1328 O1P GUA 45 50.336 0.280 9.446 1.00 49.00

ATOM 1329 O2P GUA 45 49.900 •2.094 10.310 1.00 49.48

ATOM 1330 O5' GUA 45 49.010 ^•0.105 11.536 1.00 46.49

ATOM 1331 C5¹ GUA 45 48.645 ^■0.826 12.709 1.00 42.68

ATOM 1332 C4¹ GUA 45 47.807 0.020 13.651 1.00 40.38

ATOM 1333 04 ^■ GUA 45 48-450 1.294 13.926 1.00 39.19

ATOM 1334 Cl' GUA 45 47.468 2.219 14.372 1.00 39.36

ATOM 1335 N9 GUA 45 47.509 3.412 13.536 1.00 38.62

ATOM 1336 C4 GUA 45 46.826 4.587 13.767 1.00 38.16

ATOM 1337 N3 GUA 45 45.995 4.830 14.804 1.00 36.93

ATOM 1338 C2 GUA 45 45.486 6.054 14.754 1.00 37.55

ATOM 1339 N2 GUA 45 44.626 6.462 15.705 1. .00 35.68

ATOM 1340 Nl GUA 45 45.779 6.967 13.769 1..00 37.21

ATOM 1341 C6 GUA 45 46.637 6.737 12.695 1..00 36.69

ATOM 1342 O6 GUA 45 46.840 7.629 11.865 1..00 35.95

ATOM 1343 C5 GUA 45 47.179 5.428 12.732 1..00 37.96

ATOM 1344 N7 GUA 45 48.059 4.795 11.863 1..00 38.09

ATOM 1345 C8 GUA 45 48.224 3.604 12.377 1..00 40.01

ATOM 1346 C2^T GUA 45 46.119 1.512 14.276 1..00 39.12

ATOM 1347 02' GUA 45 45.853 0.949 15.547 1-00 39.01

ATOM 1348 C3^r GUA 45 46.417 0.453 13.220 1.00 39.06

ATOM 1349 03' GUA 45 45.498 ^■0.624 13.326 1.00 37.55

ATOM 1350 P GUA 46 44.210 ^■0.666 12.372 1.00 38.40

ATOM 1351 O1P GUA 46 44.664 -0.530 10.960 1.00 37.22

ATOM 1352 O2P GUA 46 43.407 -1 846 12.777 1.00 38.48

ATOM 1353 05' GUA 46 43.401 0.655 12.747 1.00 37.86

ATOM 1354 C5' GUA 46 42.719 0.761 13.992 1.00 37.31

ATOM 1355 C4' GUA 46 42.058 2.112 14.112 1.00 37.00

ATOM 1356 04' GUA 46 43.075 3.152 14.184 1.00 37.83

ATOM 1357 Cl' GUA 46 42.631 4.302 13.480 1.00 35.74

ATOM 1358 N9 GUA 46 43.473 4.473 12.303 1.00 34.96

ATOM 1359 C4 GUA 46 43.600 5.613 11.539 1.00 34.99

ATOM 1360 N3 GUA 46 42.960 6.789 11.749 1.00 35.99

ATOM 1361 C2 GUA 46 43.295 7.701 10.849 1. 00 36.80

ATOM 1362 N2 GUA 46 42.753 8.928 10.901 1.00 34.64

ATOM 1363 Nl GUA 46 44.185 7.479 9.829 1.00 37.35

ATOM 1364 Cβ GUA 46 44.854 6.281 9.596 1.00 36.46

ATOM 1365 06 GUA 46 45.642 6.192 8.647 1.00 37.81

ATOM 1366 C5 GUA 46 44.502 5.293 10.549 1.00 35.78

ATOM 1367 N7 GUA 46 44.931 3.975 10.680 1.00 35.74

ATOM 1368 C8 GUA 46 44.297 3.529 11.729 1.00 34.50

ATOM 1369 C2¹ GUA 46 41.171 4.047 13.112 1.00 36.09

ATOM 1370 02' GUA 46 40.387 4.510 14.193 1.00 33.55

ATOM 1371 C3¹ GUA 46 41.177 2.528 12.945 1.00 36.30

ATOM 1372 03' GUA 46 39.884 1.923 13.055 1.00 37.26

ATOM 1373 P URI 47 39.082 1.465 11.725 1.00 38.30

ATOM 1374 O1P URI . 47 40.004 1.574 10.565 1.00 36.83

ATOM 1375 02P URI 47 38.460 0.163 12.026 1, 00 40.19

ATOM 1376 05' URI 47 37.959 2.610 11.578 1, 00 39.08

ATOM 1377 C5' URI 47 36.575 2.318 11.311 1.00 38.22

ATOM 1378 C4 ' URI 47 35.667 3.280 12.076 1, 00 35.52

ATOM 1379 04 ' URI 47 36.063 3.276 13.450 1.00 36.68 ATOM 1380 Cl¹ URI 47 35.652 4.484 14.023 1.00 34.07

ATOM 1381 Nl URI 47 36.310 4.646 15.323 1.00 31.60

ATOM 1382 C6 URI 47 37.646 4.389 15.497 1.00 31.51

ATOM 1383 C2 URI 47 35.510 5.030 16.384 1.00 29.59

ATOM 1384 02 URI 47 34.323 5.291 16.256 1.00 27.26

ATOM 1385 N3 URl 47 36.150 5.090 17.600 1.00 29.57

ATOM 1386 C4 URI 47 37.472 4.814 17.852 1.00 29.95

ATOM 1387 04 URI 47 37.896 4.899 19.003 1.00 34.74

ATOM 1388 C5 URI 47 38.240 4.448 16.697 1.00 32.45

ATOM 1389 C2' URI 47 35.769 5.564 12.946 1.00 33.90

ATOM 1390 02 ^■ URI 47 34.776 6.537 13.164 1.00 34.78

ATOM 1391 C3' URI 47 35.618 4.752 11.642 1.00 34.53

ATOM 1392 O3¹ URI 47 34.271 5.052 11.221 1.00 32.26

ATOM 1393 P GUA 48 33.745 4.700 9.734 1.00 31.26

ATOM 1394 01P GUA 48 34.289 3.392 9.302 1.00 31.28

ATOM 1395 O2P GUA 48 32.275 4.902 9.759 1.00 30.04

ATOM 1396 05' GUA 48 34.386 5.849 8.844 1.00 32.05

ATOM 1397 C5' GUA 48 34.146 7.220 9.134 1.00 32.38

ATOM 1398 C4' GUA 48 34.929 8.081 8.176 1.00 34.28

ATOM 1399 04' GUA 48 36.346 7.935 8.447 1.00 33.96

ATOM 1400 Cl' GUA 48 37.065 7.885 7.225 1.00 34.90

ATOM 1401 N9 GUA 48 37.708 6.580 7.135 1.00 34.87

ATOM 1402 C4 GUA 48 38.708 6.208 6.268 1.00 35.76

ATOM 1403 N3 GUA 48 39.262 6.989 5.313 1.00 37.42

ATOM 1404 C2 GUA 48 40.213 6.349 4.640 1.00 39.31

ATOM 1405 N2 GUA 48 40.870 6.977 3.642 1.00 37.55

ATOM 1406 Nl GUA 48 40.590 5.048 4.891 1.00 37.26

ATOM 1407 C6 GUA 48 40.030 4.228 5.864 1.00 36.86

ATOM 1408 06 GUA 48 40.439 3.068 6.002 1.00 35.82

ATOM 1409 C5 GUA 48 39.007 4.902 6.590 1.00 36.51

ATOM 1410 N7 GUA 48 38.197 4.455 7.626 1.00 35.53

ATOM 1411 C8 GUA 48 37.443 5.478 7.911 1.00 35.10

ATOM 1412 C2' GUA 48 36.065 8.166 6.099 1.00 34.05

ATOM 1413 02' GUA 48 36.014 9.555 5.841 1.00 34.33

ATOM 1414 C3' GUA 48 34.772 7.668 6.721 1.00 34.63

ATOM 1415 03' GUA 48 33.633 8.301 6.152 1.00 36.43

ATOM 1416 P CYT 49 32.805 7.556 4.997 1.00 37.19

ATOM 1417 O1P CYT 49 32.470 6.187 5.472 1.00 36.28

ATOM 1418 02P CYT 49 31.714 8.466 4.555 1.00 38.11

ATOM 1419 05' CYT 49 ■33.866 7.415 3.819 1.00 38.46

ATOM 1420 C5' CYT 49 34.302 8.556 3.091 1.00 39.87

ATOM 1421 C4 ' CYT 49 35.347 8.154 2.084 1.00 41.21

ATOM 1422 04 ' CYT 49 36.516 7.656 2.787 1.00 40.26

ATOM 1423 Cl' CYT 49 37.103 6.597 2.042 1.00 40.32

ATOM 1424 Nl CYT 49 37.097 5.386 2.879 1.00 37.20

ATOM 1425 C6 CYT 49 36.147 5.195 3.845 1.00 36.92

ATOM 1426 C2 CYT 49 38.092 4.439 2.677 1.00 36.45

ATOM 1427 O2 CYT 49 38.918 4.633 1.783 1.00 36.50

ATOM 1428 N3 CYT 49 38.132 3.334 3.459 1.00 36.17

ATOM 1429 C4 CYT 49 37.216 3.159 4.412 1.00 34.32

ATOM 1430 N4 CYT 49 37.309 2.061 5.167 1.00 31.79

ATOM 1431 C5 CYT 49 36.170 4.105 4.632 1.00 35.27

ATOM 1432 C2' CYT 49 36.300. 6.453 0.745 1.00 41.86

ATOM 1433 02' CYT 49 36.902 7.231 -0.272 1.00 44.59

ATOM 1434 C3.' CYT 49 34.947 7.004 1.171 1.00 42.42

ATOM 1435 03' CYT 49 34.187 7.476 0.068 1.00 44.08

ATOM 1436 P CYT 50 33.065 6.532 -0.587 1.00 46.77

ATOM 1437 O1P CYT 50 32.333 5.827 0.492 1.00 46.18

ATOM 1438 02P CYT 50 32.312 7.361 -1.568 1.00 46.69 ATOM 1439 O5¹ CYT 50 33.907 5.442 -1.382 1.00 45.67

ATOM 1440 C5' CYT 50 34.674 5.811 -2.523 1.00 46.25

ATOM 1441 C4¹ CYT 50 35.396 4.608 -3.073 1.00 45.49

ATOM 1442 04' CYT 50 36.408 4.177 -2.126 1.00 45.51

ATOM 1443 Cl¹ CYT 50 36.538 2.767 -2.176 1.00 45.86

ATOM 1444 Nl CYT 50 36.258 2.227 -0.837 1.00 45.27

ATOM 1445 C6 CYT 50 35.523 2.936 0.073 1.00 44.86

ATOM" 1446 C2 CYT 50 36.768 0.977 -0.505 1.00 44.68

ATOM 1447 02 CYT 50 37.406 0.351 -1.360 1.00 45.81

ATOM 1448 N3 CYT 50 36.553 0.477 0.734 1.00 44.09

ATOM 1449 C4 CYT 50 35.849 1.182 1.621 00 44.05

ATOM 1450 N4 CYT 50 35.674 0.660 2.837 00 43.23

ATOM 1451 C5 CYT 50 35.296 2.455 1.302 00 43.20

ATOM 1452 C2" CYT 50 35.567 2.261 -3.244 00 46.00

ATOM 1453 02' CYT 50 36.242 2.137 -4.477 00 47.33

ATOM 1454 C3¹ CYT 50 34.533 3.376 -3.254 00 46.14

ATOM 1455 O3' CYT 50 33.795 3.422 -4.466 00 45.48

ATOM 1456 P CYT 51 32.373 ^'2.687 -4.543 00 45.55

ATOM 1457 O1P CYT 51 31.670 2.940 -3.258 00 45.60

ATOM 1458 O2P CYT 51 31.725 3.086 -5.822 00 45.67

ATOM 1459 O5' CYT 51 32.745 1.140 -4.602 1.00 42.68

ATOM 1460 C5' CYT 51 33.442 0.607 -5.727 1.00 42.20

ATOM 1461 C4' CYT 51 33.790 -0.845 -5.498 1.00 41.60

ATOM 1462 O4¹ CYT 51 34.782 -0.965 -4.444 1.00 42.17

ATOM 1463 Cl' CYT 51 34.577 -2.183 -3.737 1.00 41.58

ATOM 1464 Nl CYT 51 34.250 -1.865 -2.334 1.00 40.02

ATOM 1465 C6 CYT 51 33.763 -0.634 -1.983 1.00 40.27

ATOM 1466 C2 CYT 51 34.447 -2.850 -1.361 1.00 39.46

ATOM 1467- O2 CYT 51 34.880 -3.956 -1.712 1.00 38.22

ATOM 1468 N3 CYT 51 34.159 -2.572 -0.065 1.00 37.58

ATOM 1469 C4 CYT 51 33.684 -1.368 0.269 1.00 40.10

ATOM 1470 N4 CYT 51 33.409 -1.137 1.561 1.00 38.22

ATOM 1471 C5 CYT 51 33.466 -0.345 -0.705 1.00 40.13

ATOM 1472 C2' CYT 51 33.436 -2.917 -4.441 1.00 41.59

ATOM 1473 O2' CYT 51 33.976 -3.767 -5.428 1.00 42.15

ATOM 1474 C3' CYT 51 32.662 -1.749 -5.038 1.00 41.84

ATOM 1475 O3¹ CYT 51 31.853 -2.158 -6.130 1.00 42.47

ATOM 1476 P URI 52 30.290 -2.452 -5.897 1.00 44.01

ATOM 1477 O1P URI 52 29.762 -1.396 -5.002 1.00 42.82

ATOM 1478 O2P URI 52 29.678 -2.651 -7.235 1. .00 43.16

ATOM 1479 O5' URI 52 30.261 -3.833 -5.102 1..00 42.33

ATOM 1480 C5' URI 52 30.696 -5.036 -5.722 1..00 42.63

ATOM 1481 C4' URI 52 30.864 -6.130 -4.695 1..00 42.80

ATOM 1482 04' URI 52 31.844 -5.712 -3.708 1..00 43.27

ATOM 1483 Cl¹ URI 52 31.516 -6.270 -2.446 1.00 42.14

ATOM 1484 Nl URI 52 31.275 -5.177 -1 .492 1.00 39.70

ATOM 1485 C6 URI 52 31.028 -3.893 -1.912 1.00 40.19

ATOM 1486 C2 URI 52 31.313 -5.491 -0.146 1.00 38.85

ATOM 1487 02 URI 52 31.515 -6.622 0.260 1.00 37.78

ATOM 1488 N3 URI 52 31.103 -4.432 0.704 1.00 39.94

ATOM 1489 C4 URI 52 30.860 -3.120 0.351 1.00 39.36

ATOM 1490 04 URI 52 30.703 -2.275 1.231 1.00 38.83

ATOM 1491 C5 URI 52 30.825 -2.879 -1.060 1.00 39.51

ATOM 1492 C2' URI 52 30.290 -7.152 -2.654 1.00 42.24

ATOM 1493 02' URI 52 30.739 -8.464 -2.919 1.00 43.61

ATOM 1494 C3¹ URI 52 29.645 -6.474 -3.857 1.00 43.32

ATOM 1495 03' URI 52 28.767 -7.350 -4.559 1.00 43.92

ATOM 1496 P GUA 53 27.189 -7.326 -4.244 1.00 44.74

ATOM 1497 O1P GUA 53 26.763 -5.917 -4.092 1.00 43.96 ATOM 1498 02P GUA 53 26.514 -8.188 -5.251 1.00 45.44

ATOM 1499 O5' GUA 53 27.073 -8.054 -2.831 1.00 42.27

ATOM 1500 C5' GUA 53 27.433 -9.419 -2.697 1.00 40.84

ATOM 1501 C4¹ GUA 53 27.340 -9.845 -1.257 1.00 40.34

ATOM 1502 O4' GUA 53 28.371 -9.181 -0.479 1.00 39.95

ATOM 1503 Cl' GUA 53 27.891 -8.944 0.833 1.00 38.87

ATOM 1504 N9 GUA 53 27.907 -7.505 1.074 1.00 37.21

ATOM 1505 ^'C4 GUA 53 27.890 -6.878 2.298 1, 00 36.15

ATOM 1506 N3 GUA 53 27.853 -7.487 3.503 1, 00 34.33

ATOM 1507 C2 GUA 53 27.851 -6.611 4.503 1, 00 34.40

ATOM 1508 N2 GUA 53 27.825 -7.039 5.783 1.00 30.97

ATOM 1509 Nl GUA 53 27.878 -5.253 4.326 ,00 32.39

ATOM 1510 C6 GUA 53 27.924 -4.606 3..094 .00 32.67

ATOM 1511 06 GUA 53 27.962 -3.380 3..048 .00 30.63

ATOM 1512 C5 GUA 53 27.926 -5.527 2.019 .00 34.76

ATOM 1513 N7 GUA 53 27.959 -5.307 0.649 .00 35.56

ATOM 1514 C8 GUA 53 27.946 -6.506 0.130 .00 36.85

ATOM 1515 C2' GUA 53 26.488 -9.549 0.908 .00 39.43

ATOM 1516 O2¹ GUA 53 26.590 -10.890 1.335 .00 39.44

ATOM 1517 C3¹ GUA 53 26.055 -9.466 -0.547 .00 39.84

ATOM 1518 O3¹ GUA 53 25.013 -10.388 -0.847 .00 39.41

ATOM 1519 P CYT 54 23.488 -9.892 -0.824 .00 39.51

ATOM 1520 O1P CYT 54 23.423 -8.598 -1.543 1.00 38.46

ATOM 1521 O2P CYT 54 22.632 -11.026 -1.262 00 41.54

ATOM 1522 O5¹ CYT 54 23.191 -9.609 0.715 00 38.98

ATOM 1523 C5' CYT 54 23.289 -10.653 1.670 00 38.08

ATOM 1524 C4" CYT 54 23.203 -10.095 3.068 00 37.40

ATOM 1525 O4' CYT 54 24.399 -9.330 3.383 00 37.01

ATOM 1526 Cl¹ CYT 54 24.061 -8.257 4.255 00 36.29

ATOM 1527 Nl CYT 54 24.299 -6.989 3.552 00 34.47

ATOM 1528 C6 CYT 54 24.401 -6.953 2.190 00 34.55

ATOM 1529 C2 CYT 54 24.416 -5.804 4.302 00 34.05

ATOM 1530 02 CYT 54 24.308 -5.858 5.541 00 32.71

ATOM 1531 N3 CYT 54 24.638 -4.634 3.658 00 31.10

ATOM 1532 C4 CYT 54 24.735 -4.613 2.327 00 31.73

ATOM 1533 N4 CYT 54 24.957 -3.434 1.729 00 28.94

ATOM 1534 C5 CYT 54 24.611 -5.800 1.543 1.00 32.93

ATOM 1535 C2' CYT 54 22.582 -8.429 4.591 1.00 37.36

ATOM 1536 02' CYT 54 22.464 -9.258 5.734 1.00 38.01

ATOM 1537 C3' CYT 54 22.086 -9.103 3.322 1. 00 37.33

ATOM 1538 O3' CYT 54 20.841 -9.753 3.503 1.00 37.98

ATOM 1539 P GUA 55 19.481 -8.976 3.152 1.00 38.31

ATOM 1540 O1P GUA 55 19.603 -8.340 1.817 1.00 38.41

ATOM 1541 O2P GUA 55 18.356 -9.905 3.437 1.00 37.37

ATOM 1542 O5' GUA 55 19.424 -7.801 4.222 1.00 38.46

ATOM 1543 C5' GUA 55 19.317 -8.092 5.606 1.00 37.59

ATOM 1544 C4' GUA 55 19.401 -6.819 6.406 1.00 37.88

ATOM 1545 04' GUA 55 20.718 -6.227 6.228 1.00 36.90

ATOM 1546 Cl' GUA 55 20.608 -4.814 6.284 1.00 37.05

ATOM 1547 N9 GUA 55 21.035 -4.265 5.001 1.00 37.12

ATOM 1548 C4 GUA 55 21.344 -2.949 4.747 1.00 35.56

ATOM 1549 N3 GUA 55 21.303 -1.938 5.642 1, 00 34.60

ATOM 1550 C2 GUA 55 21.659 -0.782 .102 1.00 35.17

ATOM 1551 N2 GUA 55 21.682 0.327 .860 1.00 33.00

ATOM 1552 Nl GUA . 55 22.020 -0.630 .780 1, 00 34.14

ATOM 1553 ^•C6 GUA 55 22.070 -1 658 .841 1.00 35.91

ATOM 1554 O6 GUA 55 22.416 -1 414 .676 1.00 36.43

ATOM 1555 C5 GUA 55 21.692 -2 909 3.414 1.00 35.90

ATOM 1556 N7 GUA 55 21.603 -4.171 2.844 1.00 36.17 ATOM 1557 C8 GUA 55 21.208 -4.943 3.821 1.00 35.86

ATOM 1558 C2' GUA 55 19.146 -4.497 6.593 1.00 37.63

ATOM 1559 O2' GUA 55 18..986 -4.467 7.998 1.00 35.97

ATOM 1560 C3' GUA 55 18.460 -5.706 5.974 1.00 37.89

ATOM 1561 03 ' GUA 55 17.145 -5.909 6.482 1.00 39.75

ATOM 1562 P GUA 56 15.878 -5.321 5.678 1, 00 40.76

ATOM .1563 O1P GUA 56 16.105 -5.525 4.222 1.00 40.59

ATOM 1564. O2P GUA 56 14.648 -5.856 6.309 1. 00 39.17

ATOM 1565 O5¹ GUA 56 15.939 -3.756 5..969 1.00 40.64

ATOM 1566 C5' GUA 56 15.746 -3.260 7..289 1.00 40.01

ATOM 1567 C4' GUA 56 15.902 -1.761 7.316 1.00 39.15

ATOM 1568 04' GUA 56 17.275 -1.396 7.009 1.00 38.17

ATOM 1569 Cl' GUA 56 17.294 -0.139 6.345 1, 00 37.64

ATOM^" 1570 N9 GUA 56 17.906 -0.316 5. 032 1.00 35.60

ATOM 1571 C4 GUA 56 18.422 0.67.8 4..228 1.00 35.62

ATOM 1572 N3 GUA 56 18.448 1.998 4.513 ,00 35.84

ATOM 1573 C2 GUA 56 19.008 2.707 3.543 .00 36.42

ATOM 1574 N2 GUA 56 19.109 4.043 3.660 .00 36.96

ATOM 1575 Nl GUA 56 19.507 2.163 2.385 .00 35.45

ATOM 1576 C6 GUA 56 19.492 . 0.806 2.069 .00 36.47

ATOM 1577 06 GUA 56 19.969 0.418 0.993 1.00 37.26

ATOM 1578 C5 GUA 56 18.889 0.032 3. ,104 .00 35.49

ATOM 1579 N7 GUA 56 18.668 -1.337 3. ,194 .00 34.92

ATOM 1580 C8 GUA 56 18.083 -1.496 4..352 .00 34.91

ATOM 1581 C2" GUA 56 15.843 0.336 6.258 .00 38.43

ATOM 1582 02' GUA 56 15.562 1.132 7.394 .00 37.77

ATOM 1583 C3¹ GUA 56 15.099 -0.993 6.283 00 39.41

ATOM 1584 03' GUA 56 13.743 -0.846 6.686 00 41.42

ATOM 1585 P URI 57 12.593 -0.711 5.568 00 42.65

ATOM • 1586 O1P URI 57 12.921 -1.656 4.470 .00 43.45

ATOM 1587 02P URI 57 11.279 -0.817 6.253 ,00 42.80

ATOM 1588 05' URI 57 12.774 0.775 5, .020 00 41.36

ATOM 1589 C5' URI 57 12.692 1.886 5, .906 00 40.72

ATOM 1590 C4' URI 57 13.182 3.144 5.228 ,00 40.98

ATOM 1591 O4" URI 57 14.597 3.018 4.915 .00 40.68

ATOM 1592 Cl' URI 57 14.884 3.735 3.723 ,00 39.44

ATOM 1593 Nl URI 57 15.398 2.786 2.730 ,00 37.97

ATOM 1594 C6 URI 57 15.225 1.428 2.883 .00 36.83

ATOM 1595 C2 URI 57 16.070 3.300 1.641 ,00 38.14

ATOM 1596 02 URI 57 16.228 4.497 1.465 ,00 39.42

ATOM 1597 N3. URI 57 16.549 2.360 0.763 .00 36.72

ATOM 1598 C4 URI 57 16.419 0.991 0.859 ,00 36.59

ATOM 1599 04 URI 57 16.911- 0.275 -0.016 .00 35.77

ATOM 1600 C5 URI 57 15.700 0.538 2.011 ,00 35.97

ATOM 1601 C2' URI 57 13.582 4.399 3.275 ,00 40.36

ATOM 1602 02' URI 57 13.518 5.706 3.803 .00 39.96

ATOM 1603 C3¹ URI 57 12.549 3.467 3.887 00 41.54

ATOM 1604 O3' URI 57 11.292 4.115 4.038 .00 43.48

ATOM 1605 P .^' CYT 58 10.139 3.866 2.947 .00 45.09

ATOM 1606 O1P CYT 58 10.115 2.411 2.649 ,00 43.69

ATOM 1607 O2P CYT 58 8.901 4.541 3.429 ,00 44.43

ATOM 1608 O5' CYT 58 10.656 4.632 1.646 .00 44.44

ATOM 1609 C5' CYT 58 10.707 6.055 1.614 ,00 43.54

ATOM 1610 C4' CYT 58 11.412 6.532 0.364 ,00 43.59

ATOM 1611 04' CYT 58 12.787 6.058 0.347 .00 42.47

ATOM 1612 Cl¹ CYT 58 13.214 5.891 -0.996 ,00 41. ^'81

ATOM 1613 Nl CYT 58 13.643 4.496 -1.204 .00 40.43

ATOM 1614 C6 CYT 58 13.154 .3.478 -0.436 ,00 39.48

ATOM 1615 C2 CYT 58 14.566 4.229 -2.226 1.00 40.63 ATOM 1616 02 CYT 58 14.999 5.172 -2.903 1.00 41.32

ATOM 1617 N3 CYT 58 14.959 2.955 -2.450 1.00 38.87

ATOM 1618 C4 CYT 58 14.470 1.970 -1.704 1.00 38.81

ATOM 1619 N4 CYT 58 14.885 0.733 -1.969 1.00 39.00

ATOM 1620 C5 CYT 58 13.533 2.210 -0.650 1.00 38.71

ATOM 1621 C2' CYT 58 12.038 6.267 -1.895 1.00 42.63

ATOM 1622 02' CYT 58 12.193 7.613 -2.284 1.00 42.34

ATOM 1623 C3' CYT 58 10.853 6.044 -0.961 1.00 44.05

ATOM 1624 O3' CYT 58 9.732 6.831 -1.349 1.00 46.54

ATOM 1625 P URI 59 8.851 6, .395 -2.624 1, 00 48.76

ATOM 1626 O1P URI 59 7.993 7. ,557 -2.974 1.00 48.84

ATOM 1627 02P DRI 59 9.766 5.822 -3.645 1.00 49.01

ATOM 1628 05' URI 59 7.921 5.220 -2.088 1.00 49.23

ATOM 1629 C5' URI 59 7.198 5.363 -0.879 1.00 50.84

ATOM 1630 C4^r URI 59 5.899 4.593 -0.942 1. .00 52.42

ATOM 1631 04' URI 59 5.717 4.014 -2.262 1.,00 52.76

ATOM 1632 Cl' URI 59 5.782 2.608 -2.188 1.,00 53.78

ATOM 1633 Nl URI 59 6.415 2.063 -3.394 1.,00 55.53

ATOM 1634 C6 URI 59 7.522 2.642 -3. 970 1..00 56.57

ATOM 1635 C2 URI 59 5.831 0.934 -3.947 1.,00 56.52

ATOM 1636 02 URI 59 4.858 0.387 -3.457 1.00 55.77

ATOM 1637 N3 URI 59 6.426 0..472 -5.094 1.00 57.51

ATOM 1638 C4 URI 59 7.524 1, .006 -5.731 1. 00 57.70

ATOM 1639 04 URI 59 7.935 0.477 -6.763 1.00 58.11

ATOM 1640 C5 URI 59 8.084 2.166 -5.092 1.00 57.60

ATOM 1641 C2¹ URI 59 6.300 2.189 -0.815 1.00 53.33

ATOM 1642 02' URI 59 5.590 1.035 -0.434 1.00 55.73

ATOM 1643 C3' URI 59 5.943 3.415 0.023 1.00 53.08

ATOM 1644 03' URI 59 4.766 3.350 0.817 1.00 53.35

ATOM 1645 P URI 60 4.824 2.785 2.313 1.00 54.61

ATOM 1646 O1P URI 60 5.985 1.872 2.450 1, 00 54.05

ATOM 1647 02P URI 60 4.703 3, .961 3.211 1.00 55.21

ATOM 1648 O5' URI 60 3.487 1, .927 2.413 1.00 54.62

ATOM 1649 C5¹ URI 60 2.930 1.578 3.670 1.00 54.23

ATOM 1650 C4' URI 60 2.490 0.137 3.652 1.00 54.28

ATOM 1651- 04' URI 60 1.378 -0.036 2.733 1.00 53.64

ATOM 1652 Cl¹ URI 60 1.429 -1.341 2.172 1.00 52.97

ATOM 1653 Nl URI 60 1.440 -1.221 0.706 1.00 51.85

ATOM 1654 C6 URI 60 1.698 -0.020 0.087 1.00 51.72

ATOM 1655 C2 URI 60 1.174 -2.360 -0.035 1.00 51.15

ATOM 1656 O2 URI 60 0.952 -3.444 0.475 1.00 51.13

ATOM 1657 N3 URI 60 1.181 -2.183 -1.396 1.00 49.48

ATOM 1658 C4 URI 60 1.424 -1.009 -2.078 1.00 50.11

ATOM 1659 04 URI 60 1.378 -1.002 -3.307 1.00 51.68

ATOM 1660 C5 URI 60 1..700 0.121 -1 244 1.00 51.47

ATOM 1661 C2' URI 60 2..667 -2.034 2.747 1.00 53.27

ATOM 1662 O2' URI 60 2.292 -2.800 3.874 1.00 52.36

ATOM 1663 C3' URI 60 3.528 -0.838 3.128 1.00 54.11

ATOM 1664 03' URI 60 4.475 -1.161 4.136 1.00 55.23

ATOM 1665 P CYT 61 5.974 -1.560 3.715 1, 00 56.26

ATOM 1666 O1P CYT 61 6.397 -0.620 2.637 1, 00 55.15

ATOM 1667 O2P CYT 61 6.789 -1.676 4..957 1, 00 56.35

ATOM 1668 os- CYT 61 5..815 -3.010 3..081 1.00 54.73

ATOM 1669 cs' CYT 61 5..403 -4.104 3..883 1.00 53.87

ATOM 1670 C4' CYT 61 5.157 -5.312 3.022 1.00 53.19

ATOM 1671 04 ' CYT 61 4.062 -5.040 2.111 1.00 52.42

ATOM 1672 Cl' CYT 61 4.264 -5.758 0.904 1.00 51.31

ATOM 1673 Nl CYT "61 4.270 -4.803 0.213 1.00 49.39

ATOM 1674 C6 CYT 61 4.460 -3.466 0.000 1.00 47.76 ATOM 1675 C2 CYT 61 4.064 -5.290 -1.503 1.00 48.49

ATOM 1676 02 CYT 61 3.917 -6.513 -1.660 1.00 49.02

ATOM 1677 N3 CYT 61 4.034 -4.422 -2.544 1.00 46.81

ATOM 1678 C4 CYT 61 4.209 -3.118 -2.327 1.00 46.81

ATOM 1679 N4 CYT 61 4.162 -2.298 -3.378 1.00 45.70

ATOM 1680 C5 CYT 61 4.437 -2.596 -1.018 1.00 46.62

ATOM 1681 C2' CYT 61 5.580 -6.523 1.041 1.00 52.65

ATOM . 1682 O2¹ CYT 61 5.306 -7.840 1.469 1.00 53.19

ATOM 1683 C3' CYT 61 6.298 -5.691 2.096 1.00 53.30

ATOM 1684 03' CYT 61 7.277 -6.448 2.789 1.00 54.19

ATOM 1685 P CYT 62 8.803 -6.413 2.293 1.00 54.86

ATOM 1686 O1P CYT 62 9.122 -5.027 1.855 1.00 54.13

ATOM 1687 O2P CYT 62 9.618 -7.059 3.352 1.00 55.45

ATOM 1688 05' CYT 62 8.800 -7.350 1.008 1.00 54.07

ATOM . 1689 C5¹ CYT ^•62 8.536 -8.737 1.130 1.00 53.65

ATOM 1690 C4 ' CYT 62 8.445 -9.367 -0.234 1.00 53.80

ATOM 1691 04 ' CYT 62 7.318 -8.800 -0.951 1.00 53.12

ATOM 1692 Cl¹ CYT ^• 62 7.605 -8.779 -2.340 1.00 52.32

ATOM 1693 Nl CYT 62 7.481 -7.396 -2.819 1.00 50.79

ATOM 1694 C6 CYT 62 7.515 -6.343 -1.949 1.00 49.65

ATOM ^' 1695 C2 CYT 62 7.315 -7.177 -4.190 1.00 50.16

ATOM 1696 02 CYT 62 7.308 -8.154 -4.955 1.00 50.53

ATOM 1697 N3 CYT 62 7.169 -5.911 -4.647 1.00 48.38

ATOM 1698 C4 CYT 62 7.190 -4.888 -3.788 1.00 48.08

ATOM 1699 N4 CYT 62 7.032 -3.658 -4.278 1.00 48.23

ATOM 1700 C5 CYT 62 7.375 -5.083 -2.385 1.00 48.37

ATOM 1701 C2' CYT 62 9.010 -9.351 -2.529 1.00 52.96

ATOM 1702 02' CYT 62 8.925 -10.722 -2.855 1.00 52.33

ATOM 1703 C3' CYT • 62 9.621 -9.097 -1.156 1.00 53.91

ATOM- 1704 03' CYT 62 10.709 -9.969 -0.882 1.00 54.57

ATOM 1705 P URI 63 12.203 -9.506 -1.250 1.00 55.99

ATOM 1706 O1P URI 63 12.344 -8.093 -0.803 1.00 55.35

ATOM 1707 O2P URI 63 13.146 -10.535 -0.741 1.00 55.64

ATOM 1708 05' URI 63 12.228 -9.551 -2.842 1.00 54.19

ATOM 1709 C5' URI 63 12.222 -10.797 -3.522 1.00 53.64

ATOM 1710 C4' URI 63 12.285 -10.584 -5.011 1.00 53.83

ATOM 1711 04 ' URI 63 11.074 -9.925 -5.466 1.00 53.91

ATOM 1712 Cl' URI 63 11.374 -9.108 -6.588 1.00 53.56

ATOM 1713 Nl URI 63 11.036 -7.721 -6.250 1.00 53.55

ATOM 1714 C6 URI 63 10.976 . -7.296 -4.945 .1.00 53.40

ATOM 1715 C2 URI 63 10.783 -6.856 -7.296 1.00 54.02

ATOM 1716 02 URI 63 10.830 -7.202 -8.465 1.00 53.88

ATOM 1717 N3 URI 63 10.476 -5.571 -6.923 1.00 53.48

ATOM 1718 C4 URI 63 10.399 -5.076 -5.637 1.00 53.65

ATOM 1719 04 URI 63 10.107 -3.889 -5.461 1.00 52.69

ATOM 1720 C5 URI 63 10.675 -6.037 -4.610 1.00 53.68

ATOM 1721 C2' URI 63 12.864 -9.277 -6.883 1.00 53.54

ATOM 1722 02' URI 63 13.038 -10.297 -7.843 1.00 52.41

ATOM 1723 C3¹ URI 63 13.388 -9.668 -5.509 1.00 53.75

ATOM 1724 03" URI 63 14.628 -10.349 -5.591 1.00 54.54

ATOM 1725 P GUA 64 15.997 -9.513 -5.520 1.00 54.54

ATOM 1726 O1P GUA 64 15.854 -8.494 -4.450 1.00 54.64

ATOM 1727 O2P GUA 64 17.113 -10.490 -5.457 1.00 54.31

ATOM 1728 05' GUA 64 16.039 -8.762 -6.924 1.00 53.27

ATOM 1729 C5' GUA 64 16.233 -9.494 -8.127 1.00 52.10

ATOM 1730 C4' GUA 64 16.253 -8.560 -9.309 1.00 51.45

ATOM 1731 04' GUA 64 14.925 -8.018 -9.528 1.00 51.16

ATOM 1732 Cl' GUA 64 15.034 -6.690 -10.022 1.00 50.73

ATOM 1733 N9 GUA 64 14.411 -5.795 -9.058 1.00 49.02 ATOM 1734 C4 GUA 64 13.961 -4.515 -9.295 1.00 48.16

ATOM 1735 N3 GUA 64 14.003 -3.866 -10.480 1.00 47.07

ATOM 1736 C2 GUA 64 13.498 -2.645 -10.394 1.00 48.14

ATOM 1737 N2 GUA 64 13.461 -1.855 -11.480 1.00 47.92

ATOM 1738 Nl GUA 64 12.991 -2.104 -9.237 1.00 47.36

ATOM 1739 C6 GUA 64 12.938 -2.753 -8.007 1.00 47.41

ATOM 1740 06 GUA 64 12.463 -2.172 -7.027 1.00 46.36

ATOM 1741 C5 GUA 64 13.478 -4.064 -8.086 1.00 47.47

ATOM 1742 N7 GUA 64 13.616 -5.042 -7.107 1.00 48.38

ATOM 1743 C8 GUA 64 14.169 -6.048 -7.729 1.00 47.96

ATOM 1744 C2' GUA 64 16.528 -6.394 -10.198 1.00 50.69

ATOM 1745 O2' GUA 64 16.930 -6.717 -11.515 1.00 51.64

ATOM 1746 C3¹ GUA 64 17.138 -7.330 -9.165 1.00 50.76

ATOM 1747 03' GUA 64 18.499 -7.635 -9.461 1.00 50.08

ATOM 1748 P CYT 65 19.679 -6.769 -8.792 1.00 48.68

ATOM 1749 O1P CYT 65 19.383 -6.572 -7.352 1.00 49.48

ATOM 1750 O2P CYT 65 20.962 -7.399 -9.192 1.00 49.88

ATOM 1751 O5' CYT 65 19.572 -5.351 -9.509 1.00 48.40

ATOM 1752 C5' CYT 65 19.892 -5.211 -10.888 1.00 46.52

ATOM 1753 C4' CYT 65 19.449 -3.861 -11.399 1.00 45.34

ATOM 1754 O4¹ CYT 65 18.009 -3.737 -11.239 1.00 44.23

ATOM 1755 Cl' CYT 65 17.678 -2.377 -10.995 1.00 43.69

ATOM 1756 Nl CYT 65 17.101 -2.268 -9.646 1.00 42.35

ATOM 1757 C6 CYT 65 17.294 -3.245 -8.710 1.00 41.74

ATOM 1758 C2 CYT 65 16.366 -1.127 -9.333 1.00 42.58

ATOM 1759 O2 CYT 65 16.200 -0.269 -10.214 1.00 41.25

ATOM 1760 N3 CYT 65 15.856 -0.986 -8.084 1.00 41.46

ATOM 1761 C4 CYT 65 16.061 -1.939 -7.171 1.00 40.62

ATOM 1762 N4 CYT 65 15.548 -1.759 -5.950 1.00 39.12

ATOM 1763 C5 CYT 65 16.800 -3.121 -7.470 1.00 41.76

ATOM 1764 C2¹ CYT 65 18.981 -1.584 -11.086 1.00 43.70

ATOM 1765 O2' CYT 65 19.174 -1.145 -12.416 1.00 43.68

ATOM 1766 C3' CYT 65 19.987 -2.642 -10.666 1.00 43.58

ATOM 1767 03' CYT 65 21.306 -2.309 -11.078 1.00 43.27

ATOM 1768 P GUA 66 22.359 -1.739 -10.000 1.00 41.09

ATOM 1769 O1P GUA 66 22.138 -2.495 -8.747 1.00 43.11

ATOM 1770 O2P GUA 66 23.712 -1.726 -10.615 1.00 41.39

ATOM 1771 O5¹ GUA 66 21.894 -0.234 -9.775 1.00 41.93

ATOM 1772 C5¹ GUA 66 21.818 0.671 -10.869 1.00 41.66

ATOM 1773 C4¹ GUA 66 21.113 1.940 -10.455 1.00 42.91

ATOM 1774 O4¹ GUA 66 19.719 1.658 -10.161 1.00 43.05

ATOM 1775 Cl¹ GUA 66 19.259 2.544 -9.152 1.00 42.28

ATOM 1776 N9 GUA 66 18.830 1.750 -8.005 1.00 41.27

ATOM 1777 C4 GUA 66 18.101 2.203 -6.931 1.00 40.95

ATOM 1778 N3 GUA 66 17.665 3.466 -6.745 1.00 41.11

ATOM 1779 C2 GUA 66 16.984 3.595 -5.618 1.00 40.82

ATOM 1780 N2 GUA 66 16.487 4.796 -5.280 1.00 41.33

ATOM 1781 Nl GUA 66 16.744 2.560 -4.741 1.00 40.01

ATOM 1782 C6 GUA 66 17.182 1.250 -4.912 1.00 41.16

ATOM 1783 06 GUA 66 16.911 0.389 -4.061 1.00 40.46

ATOM 1784 C5 GUA 66 17.923 1.100 -6.121 1.00 41.05

ATOM 1785 N7 GUA 66 18.534 -0.019 -6.671 1.00 41.13

ATOM 1786 C8 GUA 66 19.061 0.414 -7.785 1.00 41.07

ATOM 1787 C2¹ GUA 66 20.420 3.475 -8.813 1.00 42.95

ATOM 1788 02' GUA 66 20.327 4.644 -9.611 1.00 42.74

ATOM 1789 C3¹ GUA 66 21.606 2.595 -9.178 1.00 43.08

ATOM 1790 03 ^• GUA 66 22.791 3.351 -9.385 1.00 43.61

ATOM 1791 P ADE 67 23.749 3.664 -8.138 1.00 45.56

ATOM 1792 O1P ADE 67 23.926 2.401 -7.370 1.00 43.89 ATOM 1793 O2P ADE 67 24.942 4.397 -8.631 1.00 44.49

ATOM 1794 O5' ADE 67 22.886 4.664 -7.243 00 44.36

ATOM 1795 C5' ADE 67 22.586 5.979 -7 .707 00 45.07

ATOM 1796 C4' ADE 67 21.881 6.777 6.630 00 44.52

ATOM 1797 O4¹ ADE 67 20.562 6.216 6.385 00 43.90

ATOM 1798 Cl' ADE 67 20.241 6.332 -5..009 00 42.78

ATOM 1799 N9 ADE 67 20.125 4.982 -4..460 00 42.06

ATOM 1800 C4 ADE 67 19.390 4.602 -3..363 00 41.74

ATOM 1801 N3 ADE 67 18.615 5.383 -2..588 1.00 42.15

ATOM 1802 C2 ADE 67 18.060 4.670 -1.,.608 1.00 40.81

ATOM 1803 Nl ADE 67 18.182 ^'3.368 -1..335 1.00 41.12

ATOM 1804 C6 ADE 67 18.970 2.610 -2.131 1.00 40.90

ATOM 1805 N6 ADE 67 19.099 1.310 -1. 855 1. 00 40.03

ATOM 1806 C5 ADE 67 19.614 3.245 -3.208 1, 00 41.57

ATOM 1807 N7 ADE 67 20.469 2.773 4.197 1.00 42.30

ATOM 1808 C8 ADE 67 20.738 3.838 4.914 1, 00 42.34

ATOM 1809 C2¹ ADE 67 21..374 7.129 4.354 1, 00 43.87

ATOM 1810 02' ADE 67 21.057 8.505 4.373 1.00 43.66

ATOM 1811 C3' ADE 67 22.546 6.784 5.263 1.00 44.27

ATOM 1812 O3' ADE 67 23.589 7.756 -5.200 1, 00 45.03

ATOM 1813 P CYT 68 24.795 7.571 4.150 1.00 45.28

ATOM 1814 O1P CYT 68 25.224 6.150 4.183 1.00 45.15

ATOM 1815 O2P CYT 68 25.791 8.645 4.394 1.00 45.69

ATOM 1816 05 ' CYT 68 24.112 7.839 2.736 1.00 44.15

ATOM 1817 C5' CYT 68 23.489 9.090 2.456 ^■1.00 42.94

ATOM 1818 C4' CYT 68 22.808 9.048 -1.108 1.00 41.24

ATOM 1819 O4' CYT 68 21.651 8.172 1.157 1.00 40.94

ATOM 1820 Cl' CYT 6.8 21.480 7.539 0.106 00 40.35

ATOM 1821 Nl CYT 68 21.602 6.080 0.076 00 40.05

ATOM 1822 C6 CYT 68 22.335 5.556 -1 108 00 38.17

ATOM 1823 C2 CYT 68 20.955 5.229 0.831 00 38.23

ATOM 1824 O2 CYT 68 20.308 5.723 1.764 00 40.30

ATOM 1825 N3 CYT 68 21.055 3.892 0.670 00 37.91

ATOM 1826 C4 CYT 68 21.769 3.389 0.339 00 37.20

ATOM 1827 N4 CYT 68 21.835 2.057 0.450 00 37.20

ATOM 1828 C5 CYT 68 22.444 4.227 1.275 00 37.62

ATOM 1829 C2' CYT 68 22.560 8.104 1.031 00 40.88

ATOM 1830 O2¹ CYT 68 22.053 9.230 1.718 00 40;67

ATOM 1831 C3' CYT 68 23.638 8.476 0.026 00 40.52

ATOM 1832 O3' CYT 68 24.554 9.429 0.541 00 40.07

ATOM 1833 P CYT 69 25.692 8.954 572 00 40.36

ATOM 1834 O1P CYT 69 26.261 7.667 079 00 39.23

ATOM 1835 O2P CYT 69 26.594 10.110 810 00 38.74

ATOM 1836 05' CYT 69 24.858 8.653 895 00 37.91

ATOM 1837 C5¹ CYT 69 25.3.50 7.772 904 00 37.39

ATOM 1838 C4 '^" CYT 69 24.194 7.214 4.707 00 35.28

ATOM 1839 04 ' CYT 69 23.253 6.583 3.795 00 35.10

ATOM 1840 Cl' CYT 69 22.735 5.402 4, 385 00 34.80

ATOM 1841 Nl CYT 69 23.172 4.259 3, 569 00 34.72

ATOM 1842 C6 CYT 69 24.073 4.430 2.556 00 33.37

ATOM 1843 C2 CYT • 69 22.642 2.991 3.837 00 34.82

ATOM 1844 02 CYT 69 21.834 2.867 4.770 00 34.02

ATOM 1845 N3 CYT 69 23.026 1.935 3.072 00 32.81

ATOM 1846 C4 CYT 69 23.903 2.118 2.080 00 34.28

ATOM 1847 N4 CYT 69 24.259 1.055 1.344 00 34.20

ATOM 1848 C5 CYT 69 24.461 3.399 1.794 00 33.86

ATOM 1849 C2' CYT 69 23.246 5.356 5.828 00 35.14

ATOM 1850 02' CYT 69 22.332 6.020 6.674 00 34.25

ATOM 1851 C3' CYT 69 24.552 6.125 5.708 1.00 35.90 ATOM 1852 O3' CYT 69 24.908 6.688 6.965 1.00 36.64

ATOM 1853 P GUA 70 25.986 5.941 7.890 1.00 37.28

ATOM 1854 O1P GUA 70 27.079 5.513 6.986 1.00 33.75

ATOM 1855 O2P GuA 70 26.294 6.823 9.048 1.00 36.42

ATOM 1856 O5' GUA 70 25.228 4.644 8.437 1.00 35.21

ATOM 1857 C5¹ GUA 70 24.059 4.755 9.255 1.00. 35.55

ATOM 1858 C4' GUA ^' 70 23.608 3.385 9.728 1.00 35.24

ATOM 1859 04' GUA 70 23.463 2.508 8.582 1.00 34.78

ATOM 1860 Cl¹ GUA 70 24.445 1.501 8.625 1.00 33.74

ATOM 1861 N9 GUA 70 24.838 1.147 7.269 1.00 32.80

ATOM 1862 CA GUA 70 24.766 -0.113 6.727 1.00 33.30

ATOM 1863 N3 GUA 70 24.384 -1.236 7.376 1.00 31.30

ATOM 1864 C2 GUA 70 24.392 -2.292 6.584 1.00 33.52

ATOM 1865 N2 GUA 70 24.052 ^' -3.494 7.073 1.00 34.38

ATOM 1866 Nl GUA 70 24.738 -2.252 5.254 1.00 32,62

ATOM 1867 C6 GUA 70 25.131 -1.104 4.565 1.00 32.39

ATOM 1868 O6 GUA 70 25.421 -1.171 3.367 1.00 28.86

ATOM 1869 C5 GUA 70 25.135 0.036 5.409 1.00 32.47

ATOM 1870 N7 GUA 70 25.459 1.357 5.135 1.00 33.96

ATOM 1871 C8 GUA 70 25.282 1.976 . 6.271 1.00 34.00

ATOM 1872 C2¹ GUA 70 25.476 1.828 9.702 1.00 34.10

ATOM 1873 O2¹ GUA 70 25.846 0.622 10.330 1.00 31.96

ATOM 1874 C3' GUA 70 24.658 2.733 10.626 1.00 35.12

ATOM 1875 03 ' GUA 70 24.040 1.980 11.677 1.00 37.80

ATOM 1876 P URI 71 23.730 2.638 13.115 1.00 39.83

ATOM 1877 O1P URI 71 24.775 2.146 14.045 1.00 39.21

ATOM 1878 02P URI 71 23.502 4.095 12.965 1.00 39.69

ATOM 1879 05' URI 71 22.350 1.952 13.525 1.00 41.04

ATOM 1880 C5' URI 71 21.123 2.431 12.989 1.00 43.89

ATOM 1881 C4' URI 71 20.038 1.369 13.050 1.00 46.55

ATOM 1882 04' URI 71 20.306 0.317 12.082 1.00 46.55

ATOM 1883 Cl' URI 71 20.560 -0.896 12.750 1.00 46.39

ATOM 1884 Nl URI 71 21.469 -1.748 11.972 1.00 45.09

ATOM 1885 C6 URI 71 22.617 -1.274 11.380 1.00 45.60

ATOM 1886 C2 URI 71 21.094 -3.077 11.834 1.00 45.28

ATOM 1887 02 URI 71 20.098 -3.541 12.371 1.00 42.93

ATOM 1888 N3 URI 71 21.920 -3.841 11.047 1.00 45.24

ATOM 1889 C4. URI 71 23.071 -3.428 10.408 1.00 45.76

ATOM 1890 04 URI 71 23.706 -4.239 9.726 1.00 44.71

ATOM 1891 C5 URI 71 23.411 -2.046 10.620 1.00 45.13

ATOM 1892 C2¹ URI 71 20.751 -0.645 14.243 1.00 48.05

ATOM 1893 O2' URI 71 20.132 -1.716 14.923 1.00 48.17

ATOM 1894 C3' URI 71 19.999 0.679 14.414 1.00 48.52

ATOM 1895 O3¹ URI 71 18.683 0.598 14.964 1.00 52.21

ATOM 1896 P URI 72 18.327 1.353 16.339 1.00 54.70

ATOM 1897 O1P URI 72 17.047 0.745 16.789 l.oo 54.37

ATOM 1898 02P URI 72 19.518 1.312 17.236 1.00 53.79

ATOM 1899 05' URI 72 18.040 2.862 15.898 1.00 54.30

ATOM 1900 C5' URI 72 16.773 3.240 15.353 1.00 55.06

ATOM 1901 C4¹ URI 72 16.702 4.742 15.145 1.00 55.56

ATOM 1902 04' URI 72 16.906 5.409 16.417 1.00 56.68

ATOM 1903 Cl' URI 72 18.137 6.098 16.416 1.00 58.41

ATOM 1904 Nl URI 72 18.840 5.849 17.681 1.00 61.38

ATOM 1905 C6 URI 72 18.967 4.586 18.211 1.00 63.23

ATOM 1906 C2 URI 72 19.380 ^■ 6.951 18.319 1.00 63.48

ATOM 1907 02 URI 72 19.273 8.083 17.880 1.00 62.72

ATOM 1908 N3 URI 72 20.045 6.678 19.489 1.00 65.55

ATOM 1909 C4 URI 72 20.217 5.439 20.076 1.00 66.63

ATOM 1910 04 URI 72 20.844 5.355 21.136 1.00 68.35 ATOM 1911 C5 URI 72 19.620 4.347 19.356 1.00 65.49

ATOM 1912 C2' URI 72 18.910 5.778 15.135 1.00 56.92

ATOM 1913 ^• O2' URI 72 19.454 6.991 14.654 1.00 57.74

ATOM 1914 C3¹ URI 72 17.804 5.252 14.223 1.00 55.34

ATOM 1915 O3¹ URI 72 17.355 6.183 13.244 1.00 53.01

ATOM 1916 P ADE 73 16.861 5.678 11.809 1.00 51.84

ATOM 1917 O1P ADE 73 15.824 4.640 12.041 1.00 50.74

ATOM 1918 O2P ADE 73 16.526 6.888 11.016 1.00 50.54

ATOM 1919 O5¹ ADE 73 18.151 4.999 11.163 1.00 49.24

ATOM 1920 ^'C5' ADE ^• 73 19.271 5.783 10.752 1.00 46.63

ATOM 1921 C4¹ ADE 73 19.925 5.159 9.539 1.00 44.47

ATOM 1922 04' ADE 73 20.366 3.820 9.883 1.00 43.60

ATOM 1923 Cl' ADE 73 20.114 2.938 8.805 1.00 42.74

ATOM 1924 N9 ADE 73 19.221 1.885 9.286 1.00 41.64

ATOM 1925 C4 ADE 73 19.447 0.533 9.182 1.0 000 4411..0077

ATOM 1926. N3 ADE 73 20.493 -0.076 8.594 1.0000 4400..3344

ATOM 1927 C2 ADE 73 20.392 -1.399 8.710 1.00- 42.18

ATOM 1928 Nl ADE 73 19.435 -2.129 9.299 1.00 41.81

ATOM 1929 C6 ADE 73 18.395 -1.486 9.874 1.00 41.53

ATOM 1930 N6 ADE 73 17.442 -2.214 10.452 1.00 40.85

ATOM 1931 C5 ADE 73 18.385 -0-077 9.824 1.00 4 411..4466

ATOM 1932 N7 ADE 73 17.493 0.872 10.305 .00 40.23

ATOM 1933 C8 ADE 73 18.029 2.016 9.954 1.00 4 411..3355

ATOM 1934 C2^l ADE 73 19.597 3.769 7.627 1.00 42.75

ATOM 1935 02' ADE 73 20.681 4.089 6.111 1.00 40.44

ATOM 1936 C3' ADE 73 19.005 4.985 8.337 1.00 43.56

ATOM 1937 03' ADE .73 19.052 6.159 7.522 1.00 43.71

ATOM 1938 P GUA 74 17.758 . 6.602 6.671 1.00 44.59

ATOM 1939 O1P GUA 74 17.418 5.449 5.794 1.00 44.52

ATOM 1940 O2P GUA 74 16.732 7.128 7.619 1.00 45.28

ATOM 1941 O5¹ GUA 74 18.279 7.810 5.758 1.00 44.78

ATOM 1942 C5' GUA 74 19.213 7, .564 4.708 1.00 45.72

ATOM 1943 C4' GUA 74 19.662 8.851 4.023 1.00 46.22

ATOM 1944 O4' GUA 74 18.576 9.432 3.243 1.00 46.23

ATOM 1945 Cl' GUA^' 74 18.242 10.685 3.785 1.00 46.29

ATOM 1946 N9 GUA 74 16.871 11.083 3.506 1.00 46.65

ATOM 1947 C4 GUA 74 16.456 11.670 2.338 1.00 46.92

ATOM 1948 N3 GUA 74 17.229 11.892 1.249 1.00 46.46

ATOM 1949 C2 GUA 74 16.561 12.511 0.287 1.00 47.78

ATOM 1950 N2 GUA 74 17.173 12.813 -0.866 1.00 47.81

ATOM 1951 Nl GUA 74 15.246 12.882 0.384 1.00 48.01

ATOM 1952 C6 GUA 74 14.433 12.667 1.492 1.00 48.08

ATOM 1953 06 GUA 74 13.259 13.052 1.472 1.00 50.07

ATOM 1954 C5 GUA 74 15.136 11.998 2.536 1.00 47.67

ATOM 1955 N7 GUA 74 14.714 11.591 3:799 1.00 47.75

ATOM 1956 C8 GUA 74 15.772 11.038 4.331 1 1..00 46.81

ATOM 1957 C2' GUA 74 18.892 10.890 5.142 1 1..00 46.18

ATOM 1958 O2' GUA 74 19.252 12.254 5.177 1.00 46.31

ATOM 1959 C3¹ GUA 74 20.083 9.937 5.023 1.00. 45.60

ATOM 1960 O3¹ GUA 74 21.325 10.523 4, .646 1.00 45.95

ATOM 1961 P ADE 75 22.149 11.447 5, .672 1.00 45.79

ATOM 1962 O1P ADE 75 21.245 12.366 6.412 1.00 46.83

ATOM 1963 O2P ADE 75 23.058 10.547 6.432 1.00 46.44

ATOM 1964 O5' ADE 75 23.043 12.317 4..686 1.00 45.71

ATOM . 1965 C5¹ ADE 75 24.033 11.689 3, .882 1.00 46.28

ATOM 1966 C4' ADE 75 23.993 12.222 2..468 1.00 47.60

ATOM .1967 O4¹ ADE ^■ 75 22.712 11.925 1.854 1.00 48.03

ATOM 1968 Cl¹ ADE 75 22.419 12.910 0.873 1.00 48.32

ATOM 1969 N9 ADE 75 21.141 13.535 1.205 1.00 49.61 ATOM 1970 C4 ADE 75 20.417 14.364 0.384 1.00 50.33

ATOM 1971 N3 ADE 75 20.728 14.746 0.866 1.00 50.95

ATOM 1972 C2 ADE 75 19.794 15.563 -1 352 1.00 51.84

ATOM 1973 Nl ADE 75 18.668 16.007 -0.773 1.00 51.68

ATOM 1974 C6 ADE 75 18.386 15.601 0.483 1.00 50.72

ATOM 1975 N6 ADE 75 17.265 16.040 1.058 1.00 51.98

ATOM 1976 C5 ADE 75 19.299 14.734 1.111 1.00 50.55

ATOM 1977 N7 ADE 75 19.314 14.143 2.366 1.00 51.33

ATOM 1978 C8 ADE 75 20.424 13.442 2.371 1.00 50.46

ATOM 1979 C2¹ ADE 75 23.573 13.913 0.887 1.00 48.36

ATOM 1980 O2¹ ADE 75 24.513 13.556 -0.106 1.00 48.04

ATOM 1981 C3¹ ADE 75 24.111 13.724 2.300 1.00 47.99

ATOM 1982 03' ADE 75 25.462 14.150 2.409 1.00 48.18

ATOM 1983 P GUA 76 25.809 15.463 3.273 1.00 49.07

ATOM 1984 O1P GUA 76 27.256 15.756 084 1, 00 47.88

ATOM 1985 O2P GUA 76 25.270 15.293 650 1.00 48.50

ATOM 1986 O5¹ GUA 76 24.964 16.608 2.559 00 47.81

ATOM 1987 C5' GUA 76 25.252 16.999 1.224 00 48.49

ATOM 1988 C4' GUA 76 24.170 17.908 0.712 00 48.75

ATOM 1989 04' GUA 76 22.918 17.171 0.643 00 49.07

ATOM 1990 Cl' GUA 76 21.836 18.038 0.950 00 49.10

ATOM 1991 N9 GUA 76 21.205 17.571 2.179 00 48.70

ATOM 1992 C4 GUA 76 19.983 17.967 2.659 00 49.87

ATOM 1993 N3 GUA 76 19.140 18.833 055 00 51.56

ATOM 1994 C2 GUA 76 18.045 19.037 769 00 51.82

ATOM 1995 N2 GUA 76 17.099 19.874 316 1.00 53.38

ATOM 1996 Nl GUA 76 17.794 18.437 981 1 00 51.44

ATOM 1997 C6 GUA 76 18.642 17.540 4.621 1 00 49.11

ATOM 1998 O6 GUA 76 18.312 17.055 5.715 1 00 47.48

ATOM 1999 C5 GUA 76 19.829 17.312 3.862 1.00 49.22

ATOM 2000 N7 GUA 76 20.928 16.504 4.124 1.00 47.87

ATOM 2001 C8 GUA 76 21.714 16.686 3.097 1.00 47.95

ATOM 2002 C2' GUA 76 22.433 19.433 1.143 1.00 49.63

ATOM 2003 02' GUA 76 22.442 20.137 ^•0.083 1.00 49.78

ATOM 2004 C3' GUA 76 23.832 19.080 1, 617 1.00 49.68

ATOM 2005 03' GUA 76 24.741 20.160 1.465 1.00 51.03

ATOM 2006 P GUA ^' 77 24.958 21.185 2.684 ,00 51.97

ATOM 2007 O1P GUA 77 25.982 22.171 2.243 .00 52.58

ATOM 2008 O2P GUA 77 25.165 20.425 3 .944 .00 51.89

ATOM 2009 05' GUA 77 23.553 21.928 2.803 ,00 52.13

ATOM 2010 C5¹ GUA 77 23.099 22.788 1.766 .00 52.29

ATOM 2011 C4 ' GUA 77 21.809 23.460 2.167 ,00 52.24

ATOM 2012 04' GUA 77 20.748 22.472 2.252 ,00 52.17

ATOM 2013 Cl' GUA 77 19.792 22.892 3.217 ,00 52.52

ATOM 2014 N9 GUA 77 19.713 21.887 4.271 .00 51.82

ATOM 2015 C4 GUA 77 18.704 21.761 5.193 .00 52.23

ATOM 2016 ^•N3 GUA 77 17.597 22.528 5.266 ,00 52.21

ATOM 2017 C2 GUA 77 16.816 22.173 6.271 ,00 51.20

ATOM 2018 N2 GUA 77 15.670 22.834 6..489 ,00 51.38

ATOM 2019 Nl GUA 77 17.099 21.147 7.137 .00 50.30

ATOM 2020 C6 GUA 77 18.234 20.344 7 ,081 .00 51.95

ATOM 2021 06 GUA 77 18.395 19.444 7, .914 ,00 53.17

ATOM 2022 C5 GUA 77 19.081 20.714 6, .006 ,00 52.32

ATOM 2023 N7 GUA 77 20.297 20.184 5, .597 ,00 51.38

ATOM 2024 C8 GUA 77 20.630 20.905 4.561 .00 52.44

ATOM 2025 C2' GUA 77 20.284 24.228 3.777 .00 52.41

ATOM 2026 02' GUA 77 19.724 25.283 3.025 .00 53.54

ATOM 2027 C3' GUA 77 21.781 24.109 3.541 .00 51.97

ATOM 2028 03' GUA 77 22.403 .25.388 3.554 1.00 50.78 ATOM 2029 P ADE 78 22.905 26.007 4..951 1.00 49.89

ATOM 2030 OlP ADE 78 23.653 27.255 4..649 1.00 50.53

ATOM 2031 O2P ADE 78 23.557 24.935 5.736 1.00 49.96

ATOM 2032 O5' ADE 78 21.556 26.415 5.692 1.00 50.39

ATOM 2033 CS¹ ADE 78 20.675 27.375 5.117 1.00 51.58

ATOM 2034 C4' ADE 78 19.445 27.533 5,,974 1.00 52.76

ATOM 2035 O4¹ ADE 78 18.719 26.275 6..000 1.00 52.78

ATOM 2036 Cl' ADE 78 18.130 26.091 7.274 1.00 52.74

ATOM 2037 N9 ADE 78 18.675 24.867 7.856 1.00 52.53

ATOM 2038 C4 ADE 78 18.108 24.137 8.872 1.00 52.42

ATOM 2039 N3 ADE 78 16.949 24.388 9.508 1.00 51.61

ATOM 2040 C2 ADE 78 16.724 23.474 10.449 1, 00 52.44

ATOM 2041 Nl ADE 78 17.468 22.416 10.804 1, 00 50.79

ATOM 2042 C6 ADE 78 18.626 22.191 10.146 1.00 51.92

ATOM 2043 N6 ADE 78 19.368 21.139 10.504 .00 49.97

ATOM 2044 C5 ADE 78 18.980 23.090 9.119 ,00 52.28

ATOM 2045 N7 ADE 78 20.075 23.153 8.264 ,00 52.96

ATOM 2046 C8 ADE 78 19.843 24.219 7.534 ,00 52.75

ATOM 2047 C2" ADE 78 18.443 27.339 8.107 .00 52.59

ATOM 2048 O2¹ ADE 78 17.372 28.255 8.009 ,00 52.45

ATOM 2049 C3' ADE 78 19.716 27.840 7.436 ,00 52.69

ATOM 2050 O3¹ ADE 78 19.917 29.238 7.630 ,00 53.67

ATOM 2051 P CYT 79 20.865 29.752 8.829 ,00 54.99

ATOM 2052 O1P CYT 79 21.091 31.204 8.601 ,00 54.82

ATOM 2053 O2P CYT 79 22.034 28.839 8.940 ,00 54.11

ATOM 2054 O5' CYT 79 19.961 29.585 10.132 .00 53.57

ATOM 2055 C5¹ CYT 79 18.728 30.290 10.242 .00 54.90

ATOM 2056 C4¹ CYT 79 17.864 29.688 11.323 .00 55.31

ATOM 2057 O4' CYT 79 17.496 28.329 10.968 .00 54.98

ATOM 2058 Cl¹ CYT 79 17.376 27.550 12.150 .00 55.18

ATOM 2059 Nl CYT 79 18.366 26.464 12.097 .00 53.55

ATOM 2060 C6 CYT 79 19.400 26.499 11.202 .00 53.33

ATOM 2061 CZ CYT 79 18.234 25.389 12.981 .00 53.04

ATOM 2062 O2 CYT 79 17.294 25.389 13.785 .00 52.46

ATOM 2063 N3 CYT 79 19.135 24.382 12.939 .00 51.94

ATOM 2064 C4 CYT 79 20.138 24.422 12.062 .00 51.62

ATOM 2065 N4 CYT 79 20.999 23.406 12.055 .00 51.02

ATOM 2066 C5 CYT 79 20.302 25.509 11.151 .00 52.71

ATOM 2067 C2¹ CYT 79 17.619 28.489 13.332 .00 55.88

ATOM 2068 O2' CYT 79 16.386 29.025 13.758 .00 56.79

ATOM 2069 C3' CYT 79 18.504 29.546 12.691 .00 56.17

ATOM 2070 03' CYT 79 18.434 30.765 13.413 .00 57.08

ATOM 2071 P URI 80 19.571 31.114 14.490 .00 58.67

ATOM 2072 O1P URI 80 20.873 30.693 13.913 .00 56.92

ATOM 2073 02P URI 80 19.374 32.528 14.910 .00 58.52

ATOM 2074 05" URI 80 19.235 30.158 15.718 .00 58.10

ATOM 2075 C5' URI 80 17.937 30.161 16.301 .00 59.29

ATOM 2076 C4' URI 80 17.794 29.014 17.271 .00 59.70

ATOM 2077 04' URI 80 17.778 27.754 16.552 ,00 58.91

ATOM 2078 Cl' URI 80 18.387 26.751 17.346 ,00 59.03

ATOM 2079 Nl URI 80 19.519 26.192 16.596 .00 58.00

ATOM 2080 C6 URI 80 20.045 26.846 15.507 .00 57.95

ATOM 2081 C2 URI 80 20.035 24.978 17.014 ,00 57.41

ATOM 2082 02 URI 80 19.604 24.375 17.980 ,00 56.59

ATOM 2083 N3 URI 80 21.075 24.499 16.256 ,00 56.36

ATOM 2084 C4 URI 80 21.639 25.097 15.149 ,00 56.42

ATOM 2085 O4 URI 80 22.563 24.534 14.560 .00 56.24

ATOM 2086 C5 URI 80 21.059 26.353 14.788 .00 56.52

ATOM 2087 C2' URI 80 18.797 27.396 18.672 1.00 59.71 ATOM 2088 02' URI 80 17.794 27.174 19.642 1.00 59.99

ATOM 2089 C3¹ URI 80 18.924 28.860 18.271 1.00 60.02

ATOM 2090 O3' URI 80 18.742 29.727 19.384 1.00 61.23

ATOM 2091 P GUA 81 19.929 29.907 20.452 1.00 62.70

ATOM 2092 OlP GUA 81 21.159 30.285 19.702 1.00 61.32

ATOM 2093 02P GUA 81 19.443 30.781 21.556 1.00 62.93

ATOM 2094 05' GUA 81 20.117 28.438 21.040 1.00 61.70

ATOM 2095 C5¹ GUA 81 21.317 28.051 21.702 1.00 59.85

ATOM 2096 C4¹ GUA 81 21.351 26.550 21.862 1.00 58.75

ATOM 2097 04' GUA 81 21.238 25.928 20.555 1.00 57.88

ATOM 2098 Cl' GUA 81 21.948 24.700 20.554 1.00 56.50

ATOM 2099 N9 GUA 81 22.891 24.701 19.438 1, 00 53.76

ATOM 2100 CA GUA 81 23.717 23.663 19.056 1.00 50.92

ATOM 2101 N3 GUA 81 23.834 22.468 19.676 1, 00 49.45

ATOM 2102 C2 GUA 81 24.696 21.672 19.060 1, 00 47.98

ATOM 2103 N2 GUA 81 24.937 20.444 19.540 1, 00 46.67

ATOM 2104 Nl GUA 81 25.385 22.021 17.928 1, 00 46.23

ATOM 2105 C6 GUA 81 25.282 23.242 17.272 1.00 47.95

ATOM 2106 06 GUA 81 25.950 23.451 16.253 1, 00 45.26

ATOM 2107 C5 GUA 81 24.364 24.108 17.923 1 00 48.81

ATOM 2108 N7 GUA 81 23.973 25.402 17.609 1.00 50.11

ATOM 2109 C8 GUA 81 23.107 25.716 18.536 1 00 52.35

ATOM 2110 C2^? GUA 81 22.583 24.531 21.934 1.00 57.52

ATOM 2111 02' GUA 81 21.744 23.719 22.726 1. 00 57.93

ATOM 2112 C3¹ GUA 81 22.635 25.972 22.428 1.00 58.71

ATOM 2113 03' GUA 81 22.633 26.035 23.847 1.00 59.71

ATOM 2114 P GUA 82 24.014 26.271 24.633 1.00 62.12

ATOM 2115 O1P GUA 82 24.630 27.514 24.096 1, 00 61.80

ATOM 2116 02P GUA 82 23.737 26.156 26.086 1.00 62.17

ATOM 2117 05' GUA 82 24.919 25.029 24.207 1.00 62.17

ATOM 2118 C5¹ GUA 82 24.408 23.703 24.299 1.00 62.02

ATOM 2119 C4^? GUA 82 25.356 22.717 23.661 1.00 61.83

ATOM 2120 04' GUA 82 25.548 23.063 22.266 1.00 60.17

ATOM 2121 Cl¹ GUA 82 26.870 23.508 22.044 1.00 58.82

ATOM 2122 N9 GUA 82 26.844 24.679 21.178 00 54.59

ATOM 2123 C4 GUA 82 27.346 24.738 19.902 00 51.65

ATOM 2124 N3 GUA 82 27.942 23.724 19.234 00 47.62

ATOM 2125 C2 GUA 82 28.323 24.088 18.023 00 46.37

ATOM 2126 N2 GUA 82 28.934 23.204 17.217 00 44.72

ATOM 2127 Nl GUA 82 28.132 25.346 17.509 00 47.11

ATOM 2128 C6 GUA 82 27.517 26.404 18.177 00 49.35

ATOM 2129 06 GUA 82 27.394 27.503 17.618 00 47.72

ATOM 2130 C5 GUA 82 27.103 26.027 19.476 00 50.20

ATOM 2131 N7 GUA 82 26.458 26.761 20.462 00 52.24

ATOM 2132 C8 GUA 82 26-327 25.921 21.454 00 54.22

ATOM 2133 C2¹ GUA 82 27.603 23.641 23.377 00 61.28

ATOM 2134 02' GUA 82 28.892 23.092 23.197 00 62.25

ATOM 2135 C3' GUA 82 26.735 22.783 24.294 00 63.09

ATOM 2136 03' GUA 82 27.232 21.533 24.743 00 66.98

ATOM 2137 P URI 83 27.747 21.386 26.247 00 70.78

ATOM 2138 O1P URI 83 28.910 20.452 26.228 00 70.72

ATOM 2139 O2P URI 83 26.567 21.080 27.101 00 71.01

ATOM 2140 05' URI 83 28.276 22.850 26.598 00 71.06

ATOM 2141 C5¹ URI 83 27.717 23.589 27.681 1.00 70.51

ATOM 2142 C4' URI 83 28.759 23.788 28.747 00 69.65

ATOM 2143 04' URI 83 28.183 24.555 29.839 00 69.95

ATOM 2144 Cl¹ URI 83 27.979 23.733 30.980 00 69.76

ATOM 2145 C2' URI 83 28.447 22.306 30.684 00 69.70

ATOM 2146 02' URI 83 29.267 21.881 31.755 1.00 70.39 ATOM 2147 C3' URI 83 29.208 22.484 29.375 1.00 69.01

ATOM 2148 O3' URI 83 30.447 21.894 29.011 1.00' 66.97

ATOM 2149 P ADE 84 31.774 22.225 29.854 1.00 66.82

ATOM 2150 OlP ADE 84 31.700 21.467 31.141 1.00 65.85

ATOM 2151 O2P ADE 84 31.971 23.706 29.873 1.00 66.05

ATOM 2152 05' ADE 84 32.936 21.584 28.971 00 59.59

ATOM 2153 C5' ADE 84 32.825 20.244 28.523 00 49.23

ATOM 2154 C4" ADE 84 34.101 19.796 27.857 00 41.61

ATOM 2155 04' ADE- 84 34.252 20.404 26.551 ,00 37.92

ATOM 2156 Cl¹ ADE 84 35.610 20.315 26.174 .00 34.97

ATOM 2157 N9 ADE 84 36.032 21.577 25.567 ,00 29.64

ATOM 2158 C4 ADE 84 36.960 21.682 24.556 ,00 28.46

ATOM 2159 N3 ADE 84 37.656 20.682 23.987 ,00 24.94

ATOM 2160 C2 ADE 84 38.443 21.145 23.019 ,00 28.06

ATOM 2161 Nl ADE 84 38.597 22.401 22.579 .00 28.34

ATOM 2162 C6 ADE 84 37.879 23.385 23.171 .00 29.51

ATOM 2163 N6 ADE ^'84 38.027- 24.634 22.724 ,00 30.47

ATOM 2164 C5 ADE 84 37.013 23.023 24.224 .00 28.97

ATOM 2165 N7 ADE 84 36.156 23.760 25.034 .00 29.41

ATOM 2166 C8 ADE 84 35.605 22.857 25.815 .00 29.47

ATOM 2167 C2' ADE 84 36.402 19.846 27.400 ,00 35.87

ATOM 2168 O2¹ ADE 84 36.613 18.459 27.241 .00 37.06

ATOM 2169 C3' ADE 84 35.416 20.123 28.536 .00 37.60

ATOM 2170 03' ADE 84 35.621 19.227 29.623 ,00 34.71

ATOM 2171 P ADE 85 36.296 19.750 30.990 .00 32.38

ATOM 2172 O1P ADE 85 35.824 18.875 32.088 1.00 32.50

ATOM 2173 O2P ADE 85 36.187^' 21.226 31.121 1. 00 34.58

ATOM 2174 05' ADE 85 37.817 19.345 30.851 1.00 32.75

ATOM 2175 C5' ADE 85 38.703 20.153 30.160 1.00 30.69

ATOM 2176 C4¹ ADE ^• 85 39.722 19.300 29.465 1.00 30.09

ATOM 2177 O4 ' ADE 85 39.389 19.250 28.051 1.00 28.24-

ATOM 2178 Cl' ADE 85 40.469 19.764 27.298 1.00 27.64

ATOM 2179 N9 ADE 85 40.133 21.144 26.963 1.00 25.88

ATOM 2180 C4 ADE 85 40.633 21.861 25.910 1.00 26.67

ATOM 2181 N3 ADE 85 41.492 21.428 24.972 .00 25.15

ATOM 2182 C2 ADE 85 41.768 22.403 24.112 .00 27.52

ATOM 2183 Nl ADE 85 41.313 23.667 24.085 .00 28.10

ATOM 2184 C6 ADE 85 40.449 24.064 25.043 .00 26.70

ATOM 2185 N6 ADE 85 39.995 25.319 25.014 .00 28.91

ATOM 2186 C5 ADE 85 40.079 23.126 26.012 .00 26.43

ATOM 2187 N7 ADE 85 39.222 23.201 27.103 .00 25.94

ATOM 2188 C8 ADE 85 39.286 22.003 27.629 .00 26.97

ATOM 2189 C2' ADE 85 41.705 19.695 28.204 .00 27.78

ATOM 2190 O2^T ADE 85 42.363 18.451 28.115 .00 29.74

ATOM 2191 C3' ADE 85 41.081 19.964 29.561 .00 28.18

ATOM 2192 03'. ADE 85 41.801 19.444 30.678 1.00 27.71

ATOM 2193 P ADE 86 42.611 20.450 31.634 1. .00 28.18

ATOM 2194 O1P ADE 86 41.761 21.645 31.861 1..00 26.75

ATOM 2195 O2P ADE 86 43.108 19.669 32.807 1..00 28.19

ATOM 2196 05' ADE 86 43.867 20.866 30.754 1..00 26.51

ATOM 2197 C5' ADE 86 ^'44.779 19.866 30.303 1,.00 26.89

ATOM 2198 C4' ADE 86 45.507 20.322 29.059 1..00 25.08

ATOM 2199 04 ' ADE 86 44.542 20.702 28.035 1.00 23.23

ATOM 2200 Cl' ADE 86 45.098 21.725 27.221 1.00 23.62

ATOM^' 2201 N9 ADE 86 44.248 22.913 27.319 1.00 25.71

ATOM 2202 C4 ADE 86 44.111 23.896 26.371 1.00 25-09

ATOM 2203 N3 ADE ^' 86 44.693 23.948 25.163 1.00 27.43

ATOM 2204 C2 ADE 86 Ai.336 25.059 24.519 1.00 26.45

ATOM 2205 Nl ADE 86 43.531 26.050 24.921 1.00 27.44 ATOM 2206 C6 ADE 86 42..967 25.967 26.145 1.00 26.63

ATOM 2207 N6 ADE 86 42.173 26.962 26.554 1. 00 23.93

ATOM 2208 C5 ADE 86 43.258 24.833 26.921 1, 00 25.70

ATOM 2209 N7 ADE 86 42.855 24.442 28.187 1.00 26.15

ATOM 2210 C8 ADE 86 43.463 23.297 28.370 1.00 25.25

ATOM 2211 C2" ADE 86 46.503 22.012 27.758 1, 00 23.26

ATOM 2212 O2' ADE 86 47.456 21.254 27.046 1.00 22.97

ATOM 2213 C3' ADE 86 46.365 21.563 29.207 1.00 24.43

ATOM 2214 03' ADE 86 47.633 21.260 29.780 1. 00 25.26

ATOM 2215 P ADE 87 48.181 22.161 30.996 1.00 24.32

ATOM 2216 O1P ADE 87 47.291 21.902 32.159 1.00 23.65

ATOM 2217 O2P ADE 87 49.643 21.919 31.110 1.00 21.87

ATOM 2218 O5' ADE 87 47.962 23.656 30.488 1.00 24.43

ATOM 2219 C5' ADE 87 48.706 24.148 29.380 1.00 25.45

ATOM 2220 C4' ADE 87 48.162 25.477 28.904 1.00 26.50

ATOM 2221 O4' ADE 87 ,46.749 25.368 28.571 00 26.62

ATOM 2222 Cl' ADE ^' 87 46.138 26.651 28.694 00 25.00

ATOM 2223 N9 ADE 87 45.089 26.611 29.713 00 26;27

ATOM 2224 C4 ADE 87 44.211 27.644 29.940 00 25.44

ATOM 2225 N3 ADE 87 44.101 28.789 29.238 00 26.01

ATOM 2226 C2 ADE 87 43.189 29.591 29.785 00 26.77

ATOM 2227 Nl ADE 87 42.431 29.394 30.871 00 25.34

ATOM 2228 C6 ADE 87 42.565 28.232 31.554 00 26.14

ATOM 2229 N6 ADE 87 41.819 28.040 32.646 00 24.44

ATOM 2230 C5 ADE 87 43.498 27.291 31.071 00 26.42

ATOM 2231 N7 ADE 87 43.878 26.033 31.520 00 25.34

ATOM 2232 CQ ADE 87 44.811 25.666 30.671 00 26.48

ATOM 2233 C2' ADE 87 47.226 27.606 29.184 00 25.94

ATOM 2234 O2¹ ADE 87 47.828 28.231 28.076 00 26.76

ATOM 2235 C3¹ ADE 87 48.177 26.640 29.882 00 26.20

ATOM 2236 03' ADE 87 49.478 27.216 29.979 00 29.18

ATOM 2237 P CYT 88 50.253 27.205 31.392 00 29.64

ATOM 2238 O1P CYT 88 50.414 25.788 31.801 00 27.76

ATOM 2239 02P CYT 88 51.450 28.069 31.263 1.00 31.71

ATOM 2240 O5' CYT 88 49.225 27.852 32.423 1.00 28.00

.ATOM 2241 C5' CYT 88 48.974 29.254 32.456 1.00 26.62

ATOM 2242 C4¹ CYT 88 47.948 29.573 33.524 00 25.58

ATOM 2243 04 ' CYT 88 46.675 28.968 33.179 00 25.86

ATOM 2244 Cl¹ CYT 88 46.017 28.529 34.358 00 25.01

ATOM 2245 Nl CYT 88 45.904 27.070 34.283 00 24.72

ATOM 2246 C6 CYT 88 46.771 26.348 33.511 00 21.66

ATOM 2247 C2 CYT 88 44.886 26.435 34.986 00 24.89

ATOM 2248 O2 CYT 88 44.144 27.118 35.715 1.00 26.78

ATOM 2249 N3 CYT 88 44.736 25.094 34.862 00 25.40

ATOM 2250 C4 CYT . 88 45.575 24.401 34.087 00 24.86

ATOM 2251 N4 CYT 88 45.387 23.091 33.985 00 26.80

ATOM 2252 C5 CYT 88 46.644 25.026 33.384 00 25.14

ATOM 2253 C2¹ CYT 88 46.864 28.986 35.547 00 24.46

ATOM 2254 02' CYT 88 46.398 30.245 35.998 00 24.35

ATOM 2255 C3' CYT 88 48.247 29.031 34.916 00 25.95

ATOM 2256 O3¹ CYT 88 49.104 29.916 35.613 1..00 29.14-

ATOM 2257 P CYT 89 50.167 29.334 36.670 1..00 30.72

ATOM 2258 O1P CYT 89 50.751 28.089 36.128 1.00 30.90

ATOM 2259 O2P CYT 89 51.054 30.464 37.047 1.00 32.86

ATOM 2260 05' CYT 89 49.266 .28.958 37.917 1.00 30.50

ATOM ^■2261 C5' CYT 89 48.592 29.968 .38.643 1.00 30.96

ATOM 2262 C4¹ CYT 89 47.637 29.343 39.616 1.00 30.62

ATOM 2263 O4' CYT 89 46.594 28.634 38.892 1.00 29.87

ATOM 2264 Cl¹ CYT 89 46.207 27.480 39.639 1.00 29.32 ATOM 2265 ^•Nl CYT 89 46.512 26.269 38.846 1.00 27.67

ATOM 2266 C6 CYT 89 47.338 26.325 37.756 1.00 26.51

ATOM 2267 C2 CYT 89 45.921 25.040 39.225 1 1..00 28.42

ATOM 2268 02 CYT 89 45.187 25.003 40.228 1 1..00 26.44

ATOM 2269 N3 CYT 89 46.163 23.933 38.488 1.00 25.44

ATOM 2270 C4 CYT 89 46.949 24.005 37.414 1.00 28.99

ATOM 2271 N4 CYT 89 47.130 22.886 36.708 1.00 28.42

ATOM 2272 C5 CYT 89 47.578 25.230 37.014 1.00 28.72

ATOM 2273 C2' CYT 89 46.993 27.531 40.952 1.00 29.56

ATOM 2274 02' CYT 89 46.271 28.320 41.868 1.00 29.72

ATOM 2275 C3' CYT 89 48.243 28.267 40.510 1.00 30.75

ATOM 2276 03' CYT 89 48.916 28.853 41.621 1.00 32.58

ATOM 2277 P ADE 90 50.084 28.044 42.384 1.00 31.61

ATOM" 2278 O1P ADE 90 51.006 27.423 41.407 1.00 30.95

ATOM 2279 O2P ADE 90 50.631 28.963 43.423 1.00 33.05

ATOM 2280 os- ADE 90 49.313 26.864 43.119 1 1.,00 31.16

ATOM 2281 cs¹ ADE 90 48.443 27.119 44.210 11..00 29.94

ATOM 2282 C4' ADE 90 47.845 25.822 44.705 1.00 30.62

ATOM 2283 04 ' ADE 90 46.995 25.240 43.674 1.00 29.16

ATOM 2284 Cl¹ ADE 90 47.126 23.824 43.693 1.00 29.45

ATOM 2285 N9 ADE 90 47.741 23.391 42.432 1.00 27.93

ATOM 2286 C4 ADE 90 47.670 22.135 41.863 1.00 30.36

ATOM 2287 N3 ADE 90 47.050 21.043 42.356 1.00 27.66

ATOM 2288 C2 ADE 90 47.177 20.010 41.520 1.00 28.93

ATOM 2289 Nl ADE 90 47.804 19.946 40.333 1.00 26.66

ATOM 2290 C6 ADE 90 48.415 21.058 39.864 1.00 30.53

ATOM 2291 N6 ADE 90 49.033 20.998 38.675 1.00 24.20

ATOM 2292 C5 ADE 90 48.359 22.224 40.666 1.00 28.57

ATOM 2293 N7 ADE 90 48.873 23.500 40.492 1.00 30.61

ATOM 2294 C8 ADE 90 48.486 24.147 41.567 1.00 28.75

ATOM 2295 C2' ADE 90 47.956 23.485 44.931 1. .00 28.59

ATOM 2296 02' ADE 90 47.062 23.410 46.019 1..00 27.77

ATOM 2297 C3' ADE 90 48.841 24.718 45.031 1..00 29.77

ATOM 2298 03' ADE 90 49.378 24.886 46.344 1..00 31.23

ATOM 2299 P CYT 91 50.870 24.383 46.660 1..00 33.36

ATOM 2300 O1P CYT 91 51.721 24.667 45.485 1.00 32.35

ATOM 2301 O2P CYT 91 51.259 24.918 47.993 1.00 34.21

ATOM 2302 O5' CYT 91 50.727 22. BOA 46.775 1.00 32.44

ATOM 2303 C5' CYT 91 49.924 22.227 47.791 1.00 33.37

ATOM 2304 C4¹ CYT 91 49.663 20.773 47.493 1.00 32. -86

ATOM 2305 O4' CYT 91 48.884 20.652 46.267 1.00 34.15

ATOM 2306 Cl' CYT 91 49.264 19.470 45.579 1. .00 31.86

ATOM 2307 Nl CYT 91 49.878 19.850 44.297 1..00 29.74

ATOM 2308 C6 CYT 91 50.382 21.106 44.100 1..00 30.03

ATOM 2309 C2 CYT 91 49.947 18.887 43.273 1..00 31.31

ATOM 2310 O2 CYT 91 49.485 17.742 43.489 1..00 27.78

ATOM 2311 N3 CYT 91 50.517 19.223 42.087 1..00 28.45

ATOM 2312 C4 CYT 91 51.008 20.455 41.908 1..00 30.56

ATOM 2313 N4 CYT . 91 51.559 20.743 40.726 1.00 27.77

ATOM 2314 C5 CYT 91 50.955 21.448 42.936 1.00 28.83

ATOM 2315 C2' CYT 91 50.264 18.748 46.484 1.00 32.40

ATOM 2316 O2' CYT 91 49.563 17.897 47.367 00 31.15

ATOM 2317 C3¹ CYT ^• 91 50.887 19.925 47.214 00 32.60

ATOM 2318 03' CYT 91 51.545 19.534 48.411 00 33.83

ATOM 2319 P ADE 92 53.129 19.259 48.390 00 34.99

ATOM 2320 O1P ADE 92 53.797 20.430 47.775 00 35.85

ATOM 2321 O2P ADE 92 53.515 18.836 49.764 00 36.72

ATOM 2322 O5' ADE 92 53.302 18.022 47.392 1.00 32.73

ATOM 2323 C5' ADE 92 52.818 16.726 47.753 1.00 32.00 ATOM 2324 C4 ' ADE 92 53.157 15.701 46.686 00 29.76

ATOM 2325 04' ADE 92 52.357 15.929 45.487 00 28.00

ATOM 2326 Cl' ADE 92 53.105 15.546 44.344 00 27.77

ATOM 2327 N9 ADE 92 53.354 16.745 43.542 00 29.23

ATOM 2328 C4 ADE 92 53.723 16.774 42.216 00 28.54

ATOM 2329 N3 ADE 92 53.904 15.725 41.395 00 25.21

ATOM 2330 C2 . ADE 92 54.282 16.134 40.187 00 28.98

ATOM 2331 Nl ADE 92 54.476 17.384 39.737 00 28.07

ATOM 2332 C6 ADE 92 54.275 18.416 40.583 00 27.67

ATOM 2333 N6 ADE 92 54.453 19.662 40.130 00 28.39

ATOM 2334 C5 ADE 92 53.882 18.115 41.899 1.00 29.30

ATOM 2335 N7 ADE 92 53.605 18.917 42.997 1.00 29.44

ATOM 2336 CQ ADE 92 53.292 18.060 43.942 1.00 28.82

ATOM 2337 C2¹ ADE 92 54.409 14.936 44.862 1.00 28.57

ATOM 2338 O2¹ ADE 92 54.235 13.551 45.102 1.00 29.40

ATOM 2339 C3¹ ADE 92 54.581 15.705 46.161 1.00 30.35

ATOM 2340 03' ADE 92 55.500 15.077 47.045 ,00 30.33

ATOM 2341 P GUA 93 57.032 15.567 47.075 .00 34.21

ATOM 2342 O1P GUA 93 57.053 17.047 47.043 ,00 32.71

ATOM 2343 O2P GUA 93 57.722 14.843 48.173 .00 33.12

ATOM 2344 05' GUA 93 57.643 15.026 45.709 .00 32.66

ATOM 2345 C5' GUA 93 57.719 13.631 45.477 ,00 32.34

ATOM 2346 C4¹ GUA 93 58.303 13.357 44.118 ,00 32.33

ATOM 2347 O4' GUA 93 57.386 13.799 43.084 .00 30.99

ATOM 2348 Cl' GUA 93 58.129 14.150 41.927 ,00 30.54

ATOM 2349 N9 GUA 93 57.857 15.541 41.584 .00 29.30

ATOM 2350 C4 GUA 93 58.020 16.102 40.344 .00 28.22

ATOM 2351 N3 GUA 93 58.426 15.452 39.229 .00 26.55

ATOM 2352 C2 GUA 93 58.500 16.266 38.180 .00 27.65

ATOM 2353 N2 GUA 93 58.880 15-787 36.979 .00 28.11

ATOM 2354 Nl GUA 93 58.208 17.605 38.229 .00 27.63

ATOM 2355 C6 GUA 93 57.797 18.297 39.368 .00 28.74

ATOM 2356 O6 GUA 93 57.574 19.508 39.304 .00 27.34

ATOM 2357 C5 GUA 93 57.702 17.436 40.497 .00 27.29

ATOM 2358 N7 GUA ^■ 93 57.329 17.705 41.806 .00 26.13

ATOM 2359 C8 GUA 93 57.426 16.550 42.413 .00 27.37

ATOM 2360 C2' GUA 93 59.604 13.940 42.265 .00 30.48

ATOM 2361 02' GUA 93 59.960 12.625 41.890 ,00 30.45

ATOM 2362 C3¹ GUA 93 59.577 14.104 43.776 ,00 31.54

ATOM 2363 03' GUA 93 60.710 13.-511 44.389 .00 32.15

ATOM 2364 P GUA 94 61.997 14.417 44.719 ,00 35.24

ATOM 2365 O1P GUA 94 61.515 15.663 45.367 .00 31.85

ATOM 2366 O2P GUA 94 62.991 13.554 45.410 ,00 33.65

ATOM 2367 05" GUA 94 62.572 14.799 43.282 .00 35.30

ATOM 2368 C5' GUA 94 63.106 13.796 42.427 .00 35.27

ATOM 2369 C4¹ GUA 94 63.483 14.383 41.085 .00 36.05

ATOM 2370 04' GUA 94 62.296 14.842 40.385 .00 36.03

ATOM 2371 Cl¹ GUA 94 62.662 15.869 39.474 .00 36.10

ATOM 2372 N9 GUA 94 61.892 17.074 39.757 .00 34.40

ATOM 2373 C4 GUA 94 61.707 18.110 38.880 .00 34.02

ATOM 2374 N3 GUA 94 62.120 18.134 37.595 .00 34.07

ATOM 2375 C2 GUA 94 61.846 19.282 37.010 .00 35.07

ATOM 2376 N2 GUA 94 62.189 19.473 35.717 .00 35.14

ATOM 2377 Nl GUA 94 61.218 20.327 37.639 ,00 34.35

ATOM 2378 C6 GUA .94 60.781 20.323 38.960 .00 32.78

ATOM 2379 06 GUA 94 60.223 21.322 39.424 .00 32.50

ATOM 2380 C5 GUA 94 61.066 19.091 39.598 .00 33.43

ATOM 2381 N7 GUA 94 60.802 18.659 40.892 .00 33.22

ATOM 2382 C8 GUA 94 61.294 17.448 40.934 1.00 33.03 ATOM 2383 C2' GUA 94 64.148. 16.167 39.697 1.00 37.03

ATOM 2384 O2¹ GUA 94 64.938 15.524 38.714 1.00 37-76

ATOM 2385 C3' GUA 94 64.353 15.627 41.109 1.00 37.25

ATOM 2386 O3' GUA 94 65.712 15.307 41.364 1.00 38.91

ATOM 2387 P CYT 95 66.548 16.187 42.416 1.00 40-34

ATOM 2388 O1P CYT 95 65.730 16.358 43.646 1.00 39.82

ATOM 2389 O2P CYT 95 67.905 15.603 42.505 1.00 39.98

ATOM 2390 O5¹ CYT 95 66.662 17.613 41.723 1.00 40.71

ATOM 2391 C5¹ CYT 95 67.059 18.752 42.479 1.00 41.99

ATOM 2392 C4' CYT 95 67.793 19.732 41.600 1.00 41.44

ATOM 2393 O4^r CYT 95 69.022 19.131 41.125 1.00 41.28

ATOM 2394 Cl¹ CYT 95 69.335 19.655 39.848 1.00 42.18

ATOM 2395 Nl CYT 95 69.566 18.535 38.923 1.00 42.44

ATOM 2396 C6 CYT 95 69.056 17.292 39.175 1.00 43.62

ATOM 2397 C2 CYT 95 70.328 18.766 37.781 1, 00 41.80

ATOM 2398 02 CYT 95 70.763 19.906 37.580 1.00 42.38

ATOM 2399 N3 CYT 95 70.574 17.746 36.928 1.00 43.64

ATOM 2400 C4 CYT 95 70.084 16.532 37.186 1.00 44.39

ATOM 2401 N4 CYT 95 70.363 15.552 36.325 1, 00 44.68

ATOM 2402 C5 CYT 95 69.289 16.269 38.341 1, 00 43.87

ATOM 2403 C2¹ CYT 95 68.207 20.606 39.438 1.00 41.42

ATOM 2404 O2¹ CYT 95 68.600 21.937 39.714 1.00 42.19

ATOM 2405 C3^? CYT 95 67.065 20.131 40.331 1, 00 40.94

ATOM 2406 O3' CYT 95 66.145 21.175 40.617 1.00 39.88

ATOM 2407 P GUA 96 64.660 21.110 40.015 1.00 40.17

ATOM 2408 OlP GUA 96 64.140 19.734 40.248 1.00 39.56

ATOM 2409 O2P GUA 96 63.900 22.275 40.520 1, 00 38.18

ATOM 2410 05' GUA 96 64.896 21.317 38.451 1, 00 39.15

ATOM 2411 C5' GUA 96 65.425 22.543 37.959 1, 00 37.35

ATOM 2412 C4' GUA 96 65.867 22.386 36.527 1, 00 36.13

ATOM 2413 O4¹ GUA 96 66.886 21.360 36.463 1, 00 36.14

ATOM 2414 Cl' GUA 96 66.736 20.608 35.273 1.00 34.76

ATOM 2415 N9 GUA 96 66.494 19.228 35.668 1, 00 33.96

ATOM 2416 C4 GUA 96 67.008 18.094 35.088 1.00 33.15

ATOM 2417 N3 GUA 96 67.790 18.047 33.987 1, 00 32.39

ATOM 2418 C2 GUA 96 68.151 16.806 33.695 1 00 33.37

ATOM 2419 N2 GUA 96 68.926 16.562 32.626 1, 00 33.79

ATOM 2420 Nl GUA 96 67.779 15.706 34.427 1.00 33.35

ATOM 2421 C6 GUA 96 66.979 15.734 35.562 1, 00 34.10

ATOM 2422 06 GUA 96 66.708 14.680 36.153 1 00 34.16

ATOM 2423 C5 GUA 96 66.578 17.051 35.882 1 00 33.41

ATOM 2424 N7 GUA 96 65.782 17.517 36.916 1 00 33.56

ATOM 2425 C8 GUA 96 65.749 18.808 36.742 1 00 34.37

ATOM 2426 C2¹ GUA 96 65.632 21.276 34.451 1 00 35.79

ATOM 2427 02' GUA 96 66.245 22.226 33.601 1 00 34.75

ATOM 2428 C3' GUA 96 64.797 21.936 35.545 1 00 36.85

ATOM 2429 O3' GUA 96 64.106 23.085 35.062 1 00 37.18

ATOM 2430 P ADE 97 62.572 22.970 34.585 1 00 38.91

ATOM 2431 O1P ADE 97 61.856 21.999 35.442 1 00 38.68

ATOM 2432 02P ADE 97 62.063 24.359 34.473 1 00 37.75

ATOM 2433 05' ADE 97 62.682 22.353 33.121 1 00 37.86

ATOM 2434 C5' ADE 97 63.175 23.142 32.041 1 ,00 36.98

ATOM 2435 C4' ADE 97 63.403 22.278 30.829 1.00 35.53

ATOM 2436 O4 ' ADE 97 64.394 21.276 31.167 1 00 34.72

ATOM 2437 Cl¹ ADE 97 64.105 20.074 30.484 1 00 34.39

ATOM 2438 N9 ADE 97 63.920 19.023 31.480 1 00 35.63

ATOM 2439 C4 ADE 97 64.602 17.832 31.542 1.00 35.25

ATOM 2440 N3 ADE 97 65.569 17.402 30.712 1 00 34.96

ATOM 2441 C2 ADE 97 65.996 16.199 31.080 1.00 36.21 ATOM 2442 Nl ADE 97 65.599 15.435 32.106 1.00 37.04

ATOM 2443 C6 ADE 97 64.631 15.904 32.924 1.00 35.78

ATOM 2444 N6 ADE 97 64.238 15.151 33.952 00 36.53

ATOM 2445 C5 ADE 97 64.095 17.164 32.641 00 35.29

ATOM 2446 N7 ADE 97 63.113 17.918 33.265 00 36.32

ATOM 2447 C8 ADE 97 63.046 19.009 32.540 00 ^•35.30

ATOM 2448 C2' ADE 97 62.875 20.330 29.607 00 34.40

ATOM 2449 02' ADE 97 63.316 20.723 28.320 00 31.85

ATOM 2450 C3¹ ADE 97 62.199 21.483 30.344 00 35.53

ATOM 2451 03' ADE 97 61.440 22.254 29.407 00 38.55

ATOM 2452 P CYT 98 59.945 22.748 29.757 00 38.17

ATOM 2453 OlP CYT 98 59.945 23.405 31.087 00 41.62

ATOM 2454 O2P CYT 98 59.486 23.503 28.570 00 37.25

ATOM 2455 05' CYT 98 59.042 21.446 29.953 00 39.78

ATOM 2456 C5¹ CYT 98 59.283 20.250 29.242 1.00 37.25

ATOM 2457 C4¹ CYT 98 59.239 19.052 30.181 1.00 33.69

ATOM 2458 04 ' CYT 98 60.024 19.354 31.373 1.00 31.64

ATOM 2459 Cl¹ CYT 98 59.629 18.483 32.421 1.00 31.45

ATOM 2460 Nl CYT 98 59.226 19.259 33.606 1.00 30.65

ATOM 2461 C6 CYT 98 58.973 20.601 33.545 1.00 29.42

ATOM 2462 C2 CYT 98 59.085 18.566 34.816 00 30.84

ATOM 2463 02 CYT 98 59.332 17.350 34.833 00 28.74

ATOM 2464 N3 CYT 98 58.680 19.233 35.923 00 28.46

ATOM 2465 C4 CYT 98 58.420 20.540 35.853 00 28.43

ATOM 2466 N4 CYT 98 58.013 21.150 36.965 00 27.42

ATOM 2467 C5 CYT 98 58.567 21.277 34.635 00 29.55

ATOM 2468 C2¹ CYT 98 58.461 17.657 31.884 00 30.82

ATOM 2469 02' CYT 98 59.005 16.463 31.345 00 31.26

ATOM 2470 C3' CYT 98 57.921 18.585 30.799 00 33.26

ATOM 2471 03' CYT 98 57.100 17.846 29.887 00 31.58

ATOM 2472 P URI 99 55.514 17.691 30.166 1.00 32.93

ATOM 2473 O1P URI 99 54.981 18.976 30.671 1.00 32.06

ATOM 2474 O2P URI 99 54.915 17.081 28.948 1.00 31.60

ATOM 2475 05' URI 99 55.432 16.600 31.330 1.00 31.66

ATOM 2476 C5' URI 99 55.854 15.259 31.084 1. 00 32.33

ATOM 2477 C4' URI 99 55.772 14.424 32.348 1, 00 32.67

ATOM 2478 O4' URI 99 56.636 15.002 33.367 1.00 33.09

ATOM 2479 Cl¹ URI 99 56.051 14.821 34.646 1.00 32.01

ATOM 2480 Nl URI 99 55.750 16.142 35.212 1.00 31.64

ATOM 2481 C6 URI 99 55.800 17.290 34.447 1.00 33.34

ATOM 2482 C2 URI 99 55.417 16.190 36.546 1, 00 32.66

ATOM 2483 O2 URI 99 55.358 15.191 37.252 1, 00 32.32

ATOM 2484 N3 URI 99 55.156 17.444 37.031 1.00 32.00

ATOM 2485 a URI 99 55.194 18.628 36.338 1.00 31.24

ATOM 2486 04 URI 99 54.951 19.671 36.934 1.00 30.31

ATOM 2487 C5 URI 99 55.539 18.504 34.951 1.00 30.80

ATOM 2488 C2' URI 99 54.800 13.964 34.452 1, 00 32.09

ATOM 2489 O2' URI 99 55.167 12.604 34.599 1.00 29.94

ATOM 2490 C3' URI 99 54.412 14.342 33.026 1. 00 31.77

ATOM 2491 03' URI 99 53.586 13.364 32.406 1.00 30.90

ATOM 2492 P GUA 100 51.990 13.573 32.376 1.00 30.56

ATOM 2493 OlP GUA 100 51.712 15.020 32.276 1, 00 29.65

ATOM 2494 O2P GUA 100 51.407 12.637 31.370 1.00 30.73

ATOM 2495 05' GUA 100 51.516 13.074 33.818 1, 00 28.48

ATOM 2496 C5' GUA 100 51.684 11.712 34.205 1.00 28.36

ATOM 2497 C4 ' GUA 100 51.246 11.517 35.642 1.00 26.32

ATOM 2498 04' GUA 100 52.132 12.261 36.529 1, 00 25.23

ATOM 2499 Cl' GUA 100 51.390 12.764 37.632 1.00 25.27

ATOM 2500 N9 GUA 100 51-442 14.222 37.598 1.00 26.56 ATOM 2501 CA GOA 100 51.181 15.086 38.641 1.00 24.78

ATOM 2502 N3 GUA 100 50.812 14.738 39.892 1.00 21.27

ATOM 2503 C2 GUA 100 50.649 15.800 40.676 1.00 25.45

ATOM 2504 N2 GUA 100 50.272 15.641 41.968 1.00 23.82

ATOM 2505 Nl GUA 100 50.842 17.096 40.258 00 22.65

ATOM 2506 C6 GUA 100 51.226 17.473 38.974 00 27.08

ATOM 2507 06 GUA 100 51.381 18.679 38.696 00 26.13

ATOM 2508 C5 GUA 100 51.391 16.348 38.128 00 25.08

ATOM 2509 N7 GOA 100 51.761 16.281 36.793 00 26.50

ATOM 2510 C8 GUA 100 51.776 15.006 36.522 00 25.62

ATOM 2511 C2¹ GUA 100 49.972 12.220 37.493 00 24.60

ATOM 2512 02' GUA 100 49.939 10.968 38.150 00 25.20

ATOM 2513 C3' GUA 100 49.869 12.059 35.981 00 25.97

ATOM 2514 O3' GUA 100 48.856 11.131 35.604 00 26.02

ATOM 2515 P URI 101 47.435 11.665 35.077 00 26.37

ATOM 2516 O1P URI 101 47.690 12.801 34.166 00 29.03

ATOM 2517 O2P URI 101 46.637 10.495 34.598 00 28.00

ATOM 2518 05' URI 101 46.698 12.219 36.379 00 26.72

ATOM 2519 C5^l URI 101 46.243 11.319 37.391 00 24.90

ATOM 2520 C4¹ URI 101 46.019 12.053 38.699 00 23.67

ATOM 2521 04' URI 101 47.222 12.808 39.036 00 24.04

ATOM 2522 Cl' URI 101 46.855 13.972 39.774 00 24.55

ATOM 2523 Nl URI 101 47.288 15.179 39.044 00 23.51

ATOM 2524 C6 URI 101 47.643 15.153 37.716 00 23.47

ATOM 2525 C2 URI 101 47.320 16.363 39.760 00 24.01

ATOM 2526 O2 ORI 101 47.012 16.427 40.926 00 25.02

ATOM 2527 N3 URI 101 47.725 17.468 39.052 00 23.97

ATOM 2528 C4 URI 101 48.086 17.513 37.730 1.00 24.23

ATOM 2529 O4 URI 101 48.430 18.587 37.235 1.00 23.86

ATOM 2530 C5 URI 101 48.025 16.248 37.051 1.00 21.44

ATOM 2531 C2' URI 101 45.335 13.913 39.959 1.00 24.55

ATOM 2532 O2' URI 101 45.066 13.210 41.160 1.00 22.92

ATOM 2533 C3^f URI 101 44.928 13.116 38.723 1.00 24.00

ATOM 2534 O3' URI 101 43.638 12.532 38.872 1.00 24.79

ATOM 2535 P GUA 102 42.331 13.341 38.409 1.00 26.26

ATOM 2536 O1P GUA 102 42.616 14.010 37.110 1.00 26.22

ATOM 2537 O2P GUA 102 41.168 12.432 38.525 1.00 27.66

ATOM 2538 05' GUA 102 42.188 14.514 39.480 1.00 26.44

ATOM 2539 C5" GUA 102 41.775 14.248 40.816 1.00 26.52

ATOM 2540 C4" GUA 102 41.705 15.535 41.610 1.00 25.73

ATOM 2541 O4 ' GUA 102 43.033 16.114 41.716 1.00 25.54

ATOM 2542 Cl' GUA 102 42.932 17.531 41.740 1.00 27.03

ATOM 2543 N9 GUA 102 43.586 18.048 40.547 1. 00 26.36

ATOM 2544 C4 GUA 102 43.991 19.348 40.321 1.00 25.32

ATOM 2545 N3 GUA 102 43.865 20.387 41.183 1.00 21.85

ATOM 2546 C2 GUA 102 44.355 21.513 40.677 1.00 26.63

ATOM 2547 N2 GUA 102 44.326 22.655 41-404 1.00 25.07

ATOM 2548 Nl GUA 102 44.913 21.608 39.423 1.00 26.07

ATOM 2549 C6 GUA 102 45.040 20.552 38.519 1.00 25.97

ATOM 2550 06 GUA 102 45.545 20.746 37.408 1.00 24.89

ATOM 2551 C5 GUA 102 44.532 19.345 39.053 1.00 26.09

ATOM 2552 N7 GUA 102 44.473 18.070 38.494 1.00 28.99

ATOM 2553 C8 GUA 102 43.909 17.336 39.414 1.00 25.89

ATOM 2554 C2' GUA 102 41.442 17.867 41.732 1.00 27.14

ATOM 2555 O2' GUA 102 40.973 17.951 43.065 1.00 30.07

ATOM 2556 C3' GUA 102 40.881 16.658 41.001 1.00 27.30

ATOM 2557 03' GUA 102 39.495 16.489 41.261 1.00 27.75

ATOM 2558 P GUA 103 38.414 17.079 40.234 1.00 30.49

ATOM 2559 O1P GUA 103 38.838 16.736 38.847 1.00 31.56 ATOM 2560 02P GUA 103 37.074 16.674 40.711 1.00 30.55

ATOM 2561 05' GUA 103 38.538 18.662 40.395 1.00 30.58

ATOM 2562 C5' GUA 103 38.159 19.300 41.608 1.00 29.57

ATOM 2563 C4¹ GUA 103 38.563 20.757 41.585 1.00 29.48

ATOM 2564 O4¹ GUA 103 40.015 20.857 41.475 1.00 28.74

ATOM 2565 Cl¹ GUA 103 40.350 22.023 40.735 00 28.95

ATOM 2566 N9 GUA 103 40.987 21.630 39.485 00 29.63

ATOM 2567 C4 GUA 103 41.700 22.461 38.649 .00 29.18

ATOM 2568 N3 GUA 103 41.953 23.771 38.866 ,00 28.59

ATOM 2569 C2 GUA 103 42.644 24.316 37.877 .00 27.90

ATOM 2570 N2 GUA 103 42.967 25.625 37.933 .00 24.00

ATOM 2571 Nl GUA 103 43.062 23.623 36.763 00 25.30

ATOM 2572 C6 GUA 103 42.804 22.275 36.517 00 28.94

ATOM 2573 O6 GUA 103 43.208 21.751 35.479 .00 29.03

ATOM 2574 C5 GUA 103 42.060 21.682 37.574 00 28.76

ATOM 2575 N7 GUA 103 41.597 20.383 37.733 .00 27.60

ATOM 2576 C8 GUA 103 40.973 20.397 38.882 00 28.12

ATOM 2577 C2^« GUA 103 39.036 22.750 40.445 00 29.48

ATOM 2578 O2¹ GUA 103 38.759 23.633 41.514 .00 27.06

ATOM 2579 C3' GUA 103 38.067 21.581 40.404 ,00 29.99

ATOM 2580 O3¹ GUA 103 36.720 22.006 40.565 ,00 33.17

ATOM 2581 P CYT 104 35.800 22.262 39.267 00 35.72

ATOM 2582 O1P CYT 104 35.989 21.146 38.315 .00 37.24

ATOM 2583 O2P CYT 104 34.442 22.569 39.773 ,00 37.51

ATOM 2584 05' CYT 104 36.414 23.566 38.564 .00 35.12

ATOM 2585 C5' CYT 104 36.358 24.825 39.217 ,00 35.25

ATOM 2586 C4 ' CYT 104 37.089 25.913 38.440 ,00 34.40

ATOM 2587 O4¹ CYT 104 38.499 25.607 38.250 .00 34.03

ATOM 2588 Cl' CYT 104 39.026 26.526 37.299 .00 33.09

ATOM 2589 Nl CYT 104 39.784 25.828 36.249 .00 31.39

ATOM 2590 C6 CYT 104 39.536 24.524 35.913 .00 30.41

ATOM 2591 C2 CYT 104 40.763 26.560 35.564 .00 32.47

ATOM 2592 O2 CYT 104 40.985 27.738 35.909 .00 31.38

ATOM 2593 N3 CYT 104 41.442 25.977 34.551 .00 29.14

ATOM 2594 C4 CYT 104 41.186 24.714 34.215 ,00 29.21

ATOM 2595 N4 CYT 104 41.883 24.195 33.195 .00 27.55

ATOM 2596 C5 CYT 104 40.206 23.933 34.905 .00 26.88

ATOM 2597 C2' CYT 104 37.827 27.250 36.683 ,00 33.52

ATOM 2598 O2' CYT 104 37.706 28.496 37.340 ,00 35.29

ATOM 2599 C3' CYT 104 36.686 26.295 37.026 ,00 33.83

ATOM 2600 O3' CYT 104 35.440 26.985 36.963 ,00 34.50

ATOM 2601 P ADE 105 34.451 26.736 35.709 ,00 35.23

ATOM 2602 O1P ADE 105 34.679 25.366 35.193 ,00 34.94

ATOM 2603 O2P ADE 105 33.080 27.148 36.102 ,00 37.34

ATOM 2604 O5' ADE 105 34.978 27.733 34.583 .00 33.29

ATOM 2605 C5' ADE 105 34.893 29.138 34.768 ,00 30.71

ATOM 2606 C4' ADE 105 35.553 29.863 33.620 ,00 29.20

ATOM 2607 O4¹ ADE 105 36.965 29.558 33.592 ,00 27.21

ATOM 2608 Cl¹ ADE 105 37.435 29.613 32.257 ,00 27.84

ATOM 2609 N9 ADE 105 38.012 28.315 31.918 ,00 27.12

ATOM 2610 C4 ADE 105 38.825 28.064 30.848 ,00 25.58

ATOM 2611 N3 ADE 105 39.208 28.934 29.903 ,00 26.38

ATOM 2612 C2 ADE 105 40.020 28.345 29.031 00 26.51

ATOM 2613 Nl ADE 105 40.458 27.085 29.007 00 26.52

ATOM 2614 C6 ADE 105 40.050 26.239 29.983 00 26.69

ATOM 2615 N6 ADE 105 40.493 24.983 29.976 00 26.02

ATOM 2616 C5 ADE 105 39.187 26.738 30.954 ,00 26.05

ATOM 2617 N7 ADE 105 38.593 26.150 32.061 00 28.24

ATOM 2618 C8 ADE 105 37.900 27.122 32.594 1.00 27.10 ATOM 2619 C2' ADE 105 36.250 29.989 31.374 00 28.24

ATOM 2620 02' ADE 105 36.281 31.388 31.198 .00 30.43

ATOM 2621 C3' ADE 105 35.084 29.498 32.224 ,00 27.89

ATOM 2622 03' ADE 105 33.874 30.166 31.907 ,00 27.48

ATOM 2623 P URI 106 32.-794 29.451 30.952 ,00 31.24

ATOM- 2624 O1P URI 106 32.670 28.031 31.383 ,00 31.87

ATOM 2625 02P URI 106 31.578 30.300 30.894 ,00 31.12

ATOM 2626 O5' URI 106 33.493 29.477 29.520 ,00 28.62

ATOM 2627 C5' URI 106 33.856 30.712 28.909 .00 27.63

ATOM 2628 C4' URI 106 34.824 30.475 27.776 .00 28.26

ATOM 2629 O4' URI 106 36.014 29.829 28.295 .00 27.80

ATOM 2630 Cl' URI 106 36.510 28.901 27.346 .00 26.57

ATOM 2631 Nl URI 106 36.471 27.559 27.946 1.00 26.38

ATOM 2632 C6 ^• URI 106 35.640 27.263 29.005 00 27.75

ATOM 2633 C2 URI 106 37.313 26.606 27.418 00 24.86

ATOM 2634 O2 URI 106 38.044 26.823 26.479 1.00.23.61

ATOM 2635 N3 URI 106 37.270 25.388 28.036 1. 00 26.85

ATOM 2636 C4 URI 106 36.483 25.022 29.102 1.00 27.35

ATOM 2637 04 URI 106 36.581 23.880 29.557 1.00 26.04

ATOM 2638 C5 URI 106 ^■ 35.618 26.058 29.590 1.00 27.37

ATOM 2639. C2' URI 106 35.652 29.040 26.090 1, 00 26.73

ATOM 2640 O2' URI 106 36.270 29.977 25.227 1.00 26.29

ATOM 2641 C3' URI 106 34.339 29.538 26.680 1.00 27.98

ATOM 2642 03 ^■ URI 106 33.567 30.270 25.740 1.00 30.54

ATOM 2643 P ADE 107 32.512 29.512 24.796 .00 32.04

ATOM 2644 OlP ADE 107 31.897 28.384 25.533 .00 31.29

ATOM 2645 02P ADE 107 31.642 30.556 24.207 .00 35.16

ATOM 2646 os- ADE 107 33.413 28.916 23.627 .00 29.75

ATOM 2647 cs' ADE 107 32.797 28.298 22.501 .00 29.22

ATOM 2648 C4 ' ADE 107 33.834 27.877 21.488 .00 28.98

ATOM 2649 04' ADE 107 34.730 26.893 22.067 1.00 26.68

ATOM 2650 Cl¹ ADE 107 35.053 25.911 21.096 1.00 27.69

ATOM 2651 N9 ADE 107 34.613 24.618 21.610 1.00 26.76

ATOM 2652 C4 ADE 107 35.151 23.398 21.291 1.00 25.71

ATOM 2653 N3 ADE 107 36.137 23.153 20.407 1.00 27.60

ATOM 2654 C2 ADE 107 36.426 21.853 20.378 1.00 28.63

ATOM 2655 Nl ADE 107 35.891 20.849 21.086 1.00 28.18

ATOM 2656 C6 ADE 107 34.911 21.130 21.970 00 27.75

ATOM 2657 N6 ADE 107 34.398 20.132 22.690 00 25.92

ATOM 2658 C5 ADE 107 34.499 22.471 22.081 00 27.27

ATOM 2659 N7 ADE 107 33.532 23.093 22.867 00 26.65

ATOM 2660 C8 ADE 107 33.631 24.360 22.540 00 25.71

ATOM 2661 C2¹ ADE 107 34.400 26.327 19.774 00 27.11

ATOM 2662 O2' ADE 107 35.338 27.046 18.990 00 26.60

ATOM 2663 C3' ADE 107 33.240 27.184 20.272 00 29.23

ATOM 2664 ■ 03' ADE 107 32.858 28.176 19.327 00 30.11

ATOM 2665 P GUA 108 ^'31.389 28.145 18.685 00 30.85

ATOM 2666 01P GUA 108 30.407 27.551 19.623 00 28.53

ATOM 2667 02P GUA 108 31.161 29.518 18.151 00 31.53

ATOM 2668 05' GUA 1.08 31.547 27.149 17.445 00 30.30

ATOM 2669 C5¹ GUA 108 32.437 27.460 16.376 00 29.31

ATOM 2670 C4 ' GUA 108 33.000 26.192 15.776 00 29.35

ATOM 2671 04' GUA 108 33.788 25.480 16.770 00 28.00

ATOM 2672 . Cl' GUA 108 33.666 24.079 16.557 00 28.42

ATOM 2673 N9 GUA 108 33.005 23.501 17.722 00 28.04

ATOM 2674 C4 GUA 108 33.163 22.223 18.208 00 28.13

ATOM 2675 N3 GUA 108 33.973 21.268 17.695 00 27.42

ATOM 2676 C2 GUA 108 33.898 20.139 18.379 00 26.66

ATOM 2677 N2 GUA 108 34.637 19.081 18.008 1.00 28.77 ATOM 2678 Nl GOA 108 33.098 19.959 19.476 1.00 25.72

ATOM 2679 C6 GUA 108 32.260 20.924 20.023 1.00 27.75

ATOM 2680 06 GUA 108 31.580 20.656 21.023 1.00 28.87

ATOM 2681 C5 GUA 108 32.326 22.144 19.299 1.00 27.70

ATOM 2682 N7 GUA 108 31.659 23.347 19.498 1, 00 29.04

ATOM 2683 C8 GUA 108 32.094 24.120 18.543 1.00 28.92

ATOM 2684 C2' GUA 108 32.838 23.905 15.283 1.00 28.43

ATOM 2685 O2' GUA 108 33.716 23.930 14.174 1.00 26.80

ATOM 2686 C3' GUA 108 31.977 25.157 15.340 1, 00 29.90

ATOM 2687 03' GUA 108 31.4OB 25.499 14.078 1.00 31.49

ATOM 2688 P ADE 109 29.967 24.915 13.673 00 34.09

ATOM 2689 OlP ADE 109 29.129 24.800 14.895 00 31.54

ATOM 2690 O2P ADE 109 29.472 25.714 12.518 00 32.38

ATOM 2691 05" ADE 109 30.286 23.439 13.182 00 32.55

ATOM 2692 C5¹ ADE 109 31.158 23.214 12.084 00 32.42

ATOM 2693 C4' ADE 109 31.547 21.757 12.017 00 33.90

ATOM 2694 04' ADE 109 32.242 21.384 13.238 00 32.30

ATOM 2695 Cl¹ ADE 109 32.004 20.017 13.520 00 32.00

ATOM 2696 N9 ADE 109 31.417 19.914 14.856 00 31.10

ATOM 2697 C4 ADE 109 31.591 18.884 15.751 00 30.92

ATOM 2698 N3 ADE 109 32.327 17.772 15.585 00 32.35

ATOM 2699 C2 ADE 109 32.259 16.994 16.667 00 31.51

ATOM 2700 Nl ADE 109 31.590 17.188 17.812 00 31.02

ATOM 2701 C6 ADE 109 30.861 18.320 17.951 1.00 31.77

ATOM 2702 N6 ADE 109 30.192 18.516 19.095 00 31.78

ATOM 2703 C5 ADE 109 30.851 19.230 16.870 00 31.78

ATOM 2704 N7 ADE 109 30.222 20.455 16.684 00 31.25

ATOM 2705 C8 ADE 109 30.586 20.817 15.478 00 30.26

ATOM 2706 C2¹ ADE 109 31.093 19.480 12.411 00 32.77

ATOM 2707 02' ADE 109 31.910 18.922 11.409 00 30.58

ATOM 2708 C3¹ ADE 109 30.407 20.754 11.936 00 34.18

ATOM 2709 03' ADE 109 29.953 20.619 10.595 00 38.16

ATOM 2710 P GUA 110 28.596 19.810 10.291 00 42.64

ATOM 2711 O1P GUA 110 27.689 20.039 11.447 00 40.70

ATOM 2712 O2P GUA 110 28.152 20.205 8.925 00 40.96

ATOM 2713 05' GUA 110 29.046 18.266 10.267 00 42.00

ATOM 2714 C5' GUA 110 28.168 17.262 9.735 00 42.81

ATOM 2715 C4' GUA 110 28.689 15.839 9.959 00 42.85

ATOM 2716 04 ' GUA 110 29.663 15.457 8.949 00 44.12

ATOM 2717 Cl' GUA 110 30.913 15.249 9.554 00 44.27

ATOM 2718 N9 GUA 110 32.003 15.570 8.640 1.00 46.16

ATOM 2719 C4 GUA 110 32.456 16.810 8.263 00 48.05

ATOM 2720 N3 GUA 110 31.957 18.000 8.669 00 48.05

ATOM 2721 C2 GUA 110 32.611 19.021 8.129 00 49.36

ATOM 2722 N2 GUA 110 32.245 20.281 8.422 00 48.73

ATOM 2723 Nl GUA 110 33.673 18.880 7.259 00 50.00

ATOM 2724 C6 GUA 110 34.201 17.663 6.827 00 49.81

ATOM 2725 06 GUA 110 35.159 17.645 6.039 00 50.76

ATOM 2726 C5 GUA 110 33.509 16.564 7.398 00 48.38

ATOM 2727 N7 GUA 110 33.709 15.200 7.238 00 47.29

ATOM 2728 C8 GUA 110 32.794 14.651 7.988 00 45.78

ATOM 2729 C2¹ GUA 110 30.889 15.717 11.005 00 43.52

ATOM 2730 02' GUA 110 31.624 14.758 11.743 00 43.90

ATOM 2731 C3' GUA 110 29.390 15.649 11.301 00 42.72

ATOM 2732 03' GUA 110 29.005 14.433 11.927 00 40.94

ATOM 2733 P CYT 111 27.634 14.339 12.739 00 40.70

ATOM 2734 O1P CYT 111 26.670 15.300 12.140 00 40.20

ATOM 2735 O2P CYT 111 27.279 12.897 12.828 1-00 40.32

ATOM 2736 05' CYT 111 28.035 14.835 14.197 1.00 38.44 ATOM 2737 C5' CYT 111 28.628 13.939 15.131 1.00 36.46

ATOM 2738 C4' CYT 111 28.265 14.359 16.528 1.00 35.48

ATOM 2739 O4' CYT 111 28.921 15.623 16.827 1.00 35.08

ATOM 2740 Cl¹ CYT 111 28.038 16.458 17.558 1.00 35-66

ATOM 2741 Nl ^• CYT 111 27.758 17.659 16.754 1.00 35.19

ATOM 2742 C6 CYT 111 28.156 17.748 15.448 1. 00 34.31

ATOM 2743 C2 CYT 111 27.072 18.718 17.357 1.00 35.16

ATOM 2744 02 CYT 111 26.716 18.602 18.540 1.00 35.83

ATOM 2745 N3 CYT 111 26.810 19.833 16.639 1.00 33.47

ATOM 2746 C4 CYT 111 27.201 19.914 15.366 1.00 34.32

ATOM 2747 N4 CYT 111 26.921 21.038 14.696 1.00 31.27

ATOM 2748 C5 CYT 111 27.900 18.847 14.721 1.00^' 34.03

ATOM 2749 C2' CYT 111 26.785 15.635 17.867 1, 00 35.77

ATOM 2750 O2¹ CYT 111 26.953 14.980 19.10-9 1.00 36.98

ATOM 2751 C3¹ CYT 111 26.784 14.657 16.699 1.00 36.57

ATOM 2752 O3¹ CYT 111 26.071 13.464 16.995 1.00 36.99

ATOM 2753 P ADE 112 24.525 13.340 16.594 1.00 38.74

ATOM 2754 O1P ADE 112 24.333 13.837 15.203 1.00 37.44

ATOM 2755 O2P ADE 112 24.103 11.958 16.950 1.00 38.71

ATOM 2756 O5' ADE 112 23.788 14.365 17.565 1. 00 39.31

ATOM 2757 C5' ADE 112 23.669 14.095 18.953 1.00 40.92

ATOM 2758 C4' ADE 112 22.818 15.151 19.616 1.00 42.70

ATOM 2759 O4' ADE 112 ^•23.504 16.431 19.590 1.00 43.02

ATOM 2760 Cl' ADE 112 22.552 17.476 19.483 1.00 44.47

ATOM 2761 N9 ADE 112 22.831 18.225 18.259 1.00 45.15

ATOM 2762 C4 ADE 112 22.390 19.491 17.951 1.00 46.14

ATOM 2763 N3 ADE 112 21.604 20.288 18.695 1.00 47.37

ATOM 2764 C2 ADE 112 21.392 21.451 18.075 1.00 45.83

ATOM 2765 Nl ADE 112 21.843 21.874 16.889 00 45.09

ATOM 2766 C6 ADE 112 22.628 21.048 16.165 00 45.19

ATOM 2767 N6 ADE 112 23.074 21.467 14.980 00 44.40

ATOM 2768 C5 ADE 112 22.927 19.786 16.710 00 45.83

ATOM 2769 N7 ADE 112 23.683 18.721 16.238 00 46.39

ATOM 2770 C8 ADE 112 23.592 17.823 17.191 00 46.20

ATOM 2771 C2' ADE 112 21.170 16.823 19.491 00 44.64

ATOM 2772 02' ADE 112 20.717 16.753 20.825 00 44.92

ATOM 2773 C3' ADE 112 21.491 15.443 18.937 00 43.98

ATOM 2774 03' ADE 112 20.510 14.485 19.317 00 45-29

ATOM 2775 P GUA 113 19.261 14.192 18.348 00 46.93

ATOM 2776 O1P GUA 113 19.746 14.118 16.940 00 46.04

ATOM 2777 O2P GUA 113 18.518 13.049 18.931 00 46.86

ATOM 2778 O5' GUA 113 18.351 15.490 18.474 00 47.79

ATOM 2779 C5' GUA 113 17.642 15.766 19.674 00 49-70

ATOM 2780 C4 ' GUA 113 16.913 17.079 19.553 00 51.37

ATOM 2781 O4' GUA 113 17.878 18.158 19.392 00 51.59

ATOM 2782- Cl' GUA 113 17.328 19.166 18.555 00 51-71

ATOM 2783 N9 GUA 113 18.177 19.308 17.376 00 51,24

ATOM 2784 C4 GUA 113 18.220 20.392 16.529 00 51.25

ATOM 2785 N3 GUA 113 17.480 21.518 16.644 00 51.46

ATOM 2786 C2 GUA 113 17.746 22.385 15.679 00 51.39

ATOM 2787 N2 GUA 113 17.100 23.558 15.635 00 51.66

ATOM 2788 Nl GUA 113 18.662 22.169 14.683 00 49.93

ATOM 2789 Cβ GUA 113 19.434 21.021 14.542 00 50.18

ATOM 2790 06 GUA 113 20.231 20.932 13.601 00 48.75

ATOM 2791 C5 GUA 113 19.160 20.076 15.572 00 50.33

ATOM 2792 N7 GUA 113 19.696 18.814 15.807 00 50.30

ATOM 2793 C8 GUA 113 19.086 18.399 16.884 1.00 51.02

ATOM 2794 C2' GUA 113 15.905 18.727 18.203 1.00 52.58

ATOM 2795 O2' GUA 1Ϊ3 14.995 19.278 19.135 1.00 53.50 ATOM 2796 C3¹ GUA 113 16.028 17.215 18.328 1.00 52.67

ATOM 2797 O3¹ GOA 113 14.766 16.588 18.515 1.00 53.89

ATOM 2798 P URI 114 13.911 16.133 17.233 1.00 54.25

ATOM 2799 O1P URI 114 12.715 15.427 17.757 1.00 56.40

ATOM 2800 O2P URI 114 14.800 15.449 16.265 1.00 54.48

ATOM 2801 05' URI 114 13.429 17.499 16.573 1.00 54.44

ATOM 2802 C5¹ URI 114 12.497 18.346 17.240 1.00 54.53

ATOM 2803 C4¹ URI 114 12.274 19.603 16.437 1.00 54.21

ATOM 2804 O4¹ URI 114 13.526 20.333 16.344 1.00 54.17

ATOM 2805 Cl' URI ^" 114 13.612 20.977 15.080 1.00 54.05

ATOM 2806 Nl URI 114 14.787 20.458 14.366 1.00 53.22

ATOM 2807 C6 URI 114 15.350 19.240 14.681 1.00 52.79

ATOM 2808 C2 URI 114 15.307 21.240 13.355 1.00 52.78

ATOM 2809 O2 URI 114 14.830 22.319 13.049 1.00 50.83

ATOM 2810 N3 URI 114 16.401 20.713 12.713 1.00 51.59

ATOM 2811 C4 URI 114 17.014 19.504 12.971 1.00 52.13

ATOM 2812 04 URI ^' 114 17.998 19.169 12.306 1.00 51.16

ATOM 2813 C5 URI 114 16.415 18.747 14.035 1.00 52.86

ATOM 2814 C2' URI 114 12.314 20.678 14.328 1.00 54.17

ATOM 2815 02" URI 114 11.387 21.727 14.508 1.00 54.46

ATOM 2816 C3¹ URI 114 11.883 19.376 14.988 1.00 54.90

ATOM 2817 O3' URI 114 10.491 19.137 14.836 1.00 55.47

ATOM 2818 P CYT 115 9.973 18.304 13.565 1.00 56.73

ATOM 2819 O1P CYT 115 8.513 18.084 13.753 1.00 57.40

ATOM 2820 O2P CYT 115 10.874 17.140 13.362 1.00 56.51

ATOM 2821 O5¹ CYT 115 10.190 19.295 12.334 1.00 56.89

ATOM 2822 C5' CYT 115 9.453 20.508 12.235 1.00 57.19

ATOM 2823 C4¹ CYT 115 9.991 21.359 11.110 1.00 57.46

ATOM 2824 O4' CYT 115 11.372 21.708 11.390 1.00 57.20

ATOM 2825 Cl¹ CYT 115 12.068 21.896 10.166 1.00 57.05

ATOM 2826 Nl CYT 115 13.239 21.004 10.129 1.00 55.44

ATOM 2827 C6 CYT 115 13/315 19.893 10.924 1.00 55.05

ATOM 2828 C2 CYT 115 14.278 21.309 9.240 1.00 54.14

ATOM 2829 02 CYT 115 14.185 22.324 8.540 1.00 53.75

ATOM 2630 N3 CYT 115 15.349 20.491 9.165 1.00 53.50

ATOM 2831 C4 CYT 115 15.410 19.402 9.934 1.00 53.53

ATOM 2832 N4 CYT 115 16.482 18.618 9.816 1.00 52.16

ATOM 2833 C5 CYT 115 14.372 19.068 10.856 1.00 53.79

ATOM 2834 C2¹ CYT 115 11.086 21.593 9.033 1.00 57.44

ATOM 2835 02' CYT 115 10.523 22.801 8.560 1.00 58.01

ATOM 2836 C3' CYT 115 10.077 20.699 9.743 1.00 58.02

ATOM 2837 .03' CYT 115 8.825 20.697 9.069 1.00 59.13

ATOM 2838 P . CYT 116 8.577 19.670 7.855 1.00 60.21

ATOM 2839 O1P CYT 116 7.158 19.822 7.445 1.00 59.92

ATOM 2840 O2P CYT 116 9.088 18.333 8.252 1.00 60.20

ATOM 2841 05' CYT 116 9.504 20.216 6.679 1.00 59.53

ATOM 2842 C5' CYT 116 9.252 21.485 6.087 1.00 58.85

ATOM 2843 C4' CYT 116 10.305 21.803 5.051 1.00 58.47

ATOM 2844 04 ' CYT 116 11.603 21.932 5.687 1.00 57.81

ATOM 2845 Cl' CYT 116 12.616 21.524 4.781 1.00 57.25

ATOM 2846 Nl CYT 116 13.370 20.416 5.388 1.00 56.35

ATOM 2847 C6 CYT ^■ 116 12.860 19.710 6.443 1.00 55.28

ATOM 2848 C2 CYT 116 14.623 20.089 4.856 1.00 55.14

ATOM 2849 02 CYT 116 15.060 20.751 3.902 1.00 54.16

ATOM 2850 N3 CYT 116 15.323 19.064 5.393 1.00 54.51

ATOM 2851 C4 CYT 116 14.816 18.378 6.421 1.00 55.30

ATOM 2852 N4 CYT 116 15.539 17.373 6.918 1.00 54.17

ATOM 2853 C5 CYT 116 13.542 18.692 6.985 1.00 55.62

ATOM 2854 C2' CYT 116 11.924 21.105 3.484 1.00 57.93 ATOM 2855 O2¹ CYT 116 11.900 22.184 2.570 1.00 57.84

ATOM 2856 C3¹ CYT 116 10.536 20.744 3.990 1.00 58.18

ATOM 2857 O3' CYT 116 9.586 20.850 2.945 1.00 58.81

ATOM 2858 P GUA 117 9.150 19.533 2.140 1.00 59.00

ATOM 2859 O1P GUA 117 8.360 19.974 0.962 1.00 59.12

ATOM 2860 O2P GUA 117 8.549 18.598 3.127 1. 00 58.14

ATOM 2861 05' GUA 117 10.524 18.927 1.606 1.00 58.78

ATOM 2862 C5¹ GUA 117 11.238 19.559 0.545 1.00 58.11

ATOM 2863 C4¹ GUA 117 12.541 18.835 0.279 1.00 58.02

ATOM 2864 04' GUA 117 13.375 18.891 1..469 1.00 56.84

ATOM 2865 Cl¹ GUA 117 14.080 17.668 1..619 1.00 56.28

ATOM 2866 N9 GUA 117 13.618 17.034 2..849 1.00 54.23

ATOM 2867 C4 GUA 117 14.311-N 16.147 3.641 1, 00 53.17

ATOM 2868 N3 GUA 117 15.561 15.685 3.415 1.00 52.10

ATOM 2869 C2 GUA 117 15.957 14.848 4.365 1, 00 51.82

ATOM 2870 N2 GUA 117 17.180 14.292 4.303 1, 00 51.15

ATOM 2871 Nl GUA 117 15.186 14.492 5.446 1, 00 50.49

ATOM 2872 C6 GUA 117 13.898 14.952 5.694 1, 00 51.58

ATOM 2873 06 GUA 117 13.286 14.564 6.699 1, 00 50.66

ATOM 2874 C5 GUA 117 13.462 15.851 4.637 1, 00 52.77

ATOM 2875 N7 GUA 117 12.261 16.532 4.555 1, 00 52.81

ATOM 2876 C8 GUA 117 12.397 17.216 3.453 1, 00 54.37

ATOM 2877 C2' GUA 117 13.807 16.839 0.363 1, 00 56.91

ATOM 2878 O2¹ GUA 117 14.796 17.127 0.606 1.00 55.77

ATOM 2879 C3¹ GUA 117 12.428 17.351 0.040 1, 00 58.09

ATOM 2880 O3' GUA 117 12.173 17.139 1.432 1 00 59.30

ATOM 2881 P GUA 118 '10.840 16.357 1, 892 1.00 61.48

ATOM 2882 O1P GUA 118 10.081 16.015 0.658 1, 00 60.28

ATOM 2883 02P GUA 118 10.189 17.165 2.957 1, 00 61.08

ATOM 2884 05' GUA 118 11.370 15.000 2.548 1, 00 61.68

ATOM 2885 C5^« GUA 118 12.021 14.004 1.759 1.00 63.15

ATOM 2886 C4" GUA 118 12.577 12.903 2.642 1.00 63.74

ATOM 2887 O4 ' GUA 118 13.366 12.007 1.815 1. 00 63.44

ATOM 2888 Cl' GUA 118 12.724 10.752 1.706 1, 00 62.79

ATOM 2889 N9 GUA 118 12.771 10.284 0.325 1.00 59.52

ATOM 2890 C4 GUA 118 13.830 9.629 0.244 1, 00 57.81

ATOM 2891 N3 GUA 118 15.004 9.357 0.360 1.00 56.32

ATOM 2892 C2 GUA 118 15.826 8.701 0.435 1.00 56.15

ATOM 2893 N2 GUA 118 17.041 8.354 0.006 1, 00 56.25

ATOM 2894 Nl GUA 118 15.517 8.337 1.721 1, 00 55.34

ATOM 2895 C6 GUA 118 14.313 8.606 2.361 1, 00 56.40

ATOM 2896 06 GUA 118 14.138 8.228 3.520 1.00 58.87

ATOM 2897 C5 GUA 118 13.421 9.314 1.520 1.00 56.75

ATOM 2898 N7 GUA 118 12.136 9.782 1.756 1, 00 57.23

ATOM 2899 C8 GUA 118 11.793 10.357 0.635 1.00 58.26

ATOM 2900 C2¹ GUA 118 11.349 10.803 2.367 1.00 63.74

ATOM 2901 O2' GUA 118 11.195 9.612 -3 114 1.00 64.82

ATOM 2902 C3' GUA 118 11.474 12.041 ^•3.251 1.00 63.90

ATOM 2903 03" GUA 118 11.513 11.848 ^•4.664 1.00 64.50

ATOM 2904 P GUA 119 10.230 11.236 5.416 1.00 64.67

ATOM 2905 O1P GUA 119 9.399 10.516 ^■4.411 1.00 64.70

ATOM 2906 O2P GUA 119 9.622 12.321 6.234 1.00 66.09

ATOM 2907 os- GUA 119 10.819 10.160 6.428 1.00 63.91

ATOM 2908 cs' GUA 119 11.376 8.940 5.966 1.00 61.87

ATOM 2909 C4' GUA 119 11.998 8.204 7.124 1.00 60.86

ATOM 2910 04' GUA 119 13.067 7.361 ^■6.646 1.00 58.87

ATOM 2911 Cl' GUA 119 13.249 6.297 7.554 1.00 57.33

ATOM 2912 N9 GUA 119 13.188 5.045 ^■6.815 1.00 53.30

ATOM 2913 C4 GUA 119 13.759 3.870 - ^■7.211 1.00 51.35 ATOM 2914 N3 GUA 119 14.442 3.677 -8.354 1.00 49.79

ATOM 2915 C2 GUA 119 14.889 2.442 -8.458 1.00 49.33

ATOM 2916 N2 GUA 119 15.588 2.081 -9.538 1.00 50.53

ATOM 2917 Nl GUA 119 14.681 1.472 -7.510 1.00 48.56

ATOM 2918 C6 GUA 119 13.978 1.649 -6.322 1.00 48.36

ATOM 2919 06 GUA 119 13.851 0.704 -5.535 1.00 44.86

ATOM 2920 C5 GUA 119 13.490 2.973 -6.200 00 49.88

ATOM 2921 N7 GUA 119 12.746 3.575 -5.193 00 50.86

ATOM 2922 C8 GUA 119 12.586 4.804 -5.605 00 52.24

ATOM 2923 C2^« GUA 119 12.181 6.418 -8.640 00 59.12

ATOM 2924 02' GUA 119 12.725 7.105 -9.750 00 58.95

ATOM 2925 C3¹ GUA 119 11.125 7.252 -7.930 00 60.60

ATOM 2926 03' GUA 119 10.321 7.923 -8.894 00 62.66

ATOM 2927 P CYT 120 9.044 7.172 -9.527 00 63.75

ATOM 2928 O1P CYT 120 8.326 8.166 -10.368 00 63.95

ATOM 2929 O2P CYT 120 8.319 6.467 -8.439 1.00 63.32

ATOM 2930 05' CYT 120 9.663 6.063 -10.491 1.00 63.17

ATOM 2931 C5¹ CYT 120 10.220 6.416 -11.752 1.00 61.33

ATOM 2932 C4' CYT 120 10.761 5.187 -12.446 1.00 60.41

ATOM 2933 04' CYT 120 11.801 4.592 -11.625 1.00 59.31

ATOM 2934 Cl¹ CYT 120 11.840 3, 188 -11.845 1.00 58.81

ATOM 2935 Nl CYT 120 11.616 2.498 -10.568 1.00 55.86

ATOM 2936 C6 CYT 120 10.893 3.085 -9.567 1.00 54.64

ATOM 2937 C2 CYT 120 12.139 1.214 -10.401 1.00 54.51

ATOM 2938 02 CYT 120 12.805 0.714 -11.320 1.00 52.72

ATOM 2939 N3 CYT 120 11.906 0.549 -9.248 1.00 52.94

ATOM 2940 C4 CYT 120 11.189 1.125 -8.280 1.00 52.88

ATOM 2941 N4 CYT 120 10.982 0.432 -7.158 1.00 51.76

ATOM 2942 C5 CYT 120 10.654 2.439 -8.419 1.00 53.60

ATOM 2943 C2' CYT 120 10.734 2.862 -12.850 1.00 60.08

ATOM 2944 02' CYT 120 11.275 2.798 -14.154 1.00 60.58

ATOM 2945 C3- CYT 120 9.787 4.037 -12.640 .00 60.75

ATOM 2946 03' CYT 120 8.932 4.235 -13.762 .00 61.84

ATOM 2947 P ADE 121 7.551 3.415 -13.863 .00 61.85

ATOM 2948 01P ADE 121 6.888 3.844 -15.120 .00 62.74

ATOM 2949 02P ADE 121 6.824 3.532 -12.575 .00 61.26

ATOM 2950 05' ADE 121 8.012 1.901 -14.049 1.00 62.51

ATOM 2951 C5' ADE 121 8.622 1.473 -15.265 1.00 62.28

ATOM 2952 C4' ADE 121 9.053 0.025 -15.167 1.00 62.20

ATOM 2953 04 ' ADE 121 10.031 0.120 -14.104 1.00 61.57

ATOM 2954 Cl' ADE 121 9.932 -1.423 -13.544 1.00 60.46

ATOM 2955 N9 ADE 121 9.611 -1.294 -12.125 1. .00 57.96

ATOM 2956 C4 ADE 121 9.829 2.243 -11.155 1..00 56.13

ATOM 2957 N3 ADE 121 10.378 3.461 -11.311 1..00 54.33

ATOM 2958 C2 ADE 121 10.431 4.104 -10.147 1..00 53.02

ATOM 2959 Nl ADE 121 Ϊ0.028 -3 700 -8.935 1..00 53.16

ATOM 2960 C6 ADE 121 9.479 2.471 -8.814 1..00 54.10

ATOM 2961 N6 ADE 121 9.077 2.066 -7.609 1..00 54.21

ATOM 2962 C5 ADE 121 9.366 -1.688 -9-975 1. ,00 55.52

ATOM 2963 N7 ADE 121 8.864 -0.413 -10-196 1.00 56.10

ATOM 2964 C8 ADE 121 9.032 0.228 -11.483 1.00 57.32

ATOM 2965 C2' ADE 121 8.832 2.159 -14.308 1.00 61.75

ATOM 2966 02' ADE 121 9.415 —2 900 -15-361 1.00 61.79

ATOM 2967 C3' ADE 121 7. ,984 0.991 -14.797 1.00 62.78

ATOM 2968 03' ADE 121 7. ,186 1.361 -15.916 1. 00 64.67

ATOM 2969 P GUA 122 5, .656 -1 808 -15.690 1.00 65.67

ATOM 2970 01P GUA 122 5. ,094 2.045 -17.046 1.00 66.51

ATOM 2971 O2P GUA 122 4.995 0.835 -14.783 1.00 65.46

ATOM 2972 05' GUA 122 5.758 3.213 -14.939 1.00 65.62 ATOM 2973 C5' GUA 122 6.122 -4.392 -15.654 00 65.46

ATOM 2974 C4" GUA 122 6.290 -5.570 -14.716 00 65.45

ATOM 2975 O4' GDA 122 7.328 -5.275 -13.740 00 64.93

ATOM 2976 Cl' GUA 122 7.077 -6.010 -12.550 00 64.06

ATOM 2977 N9 GUA 122 6.890 -5.074 -11.444 00 61.82

ATOM 2978 C4 GUA 122 6.975 -5.380 -10.105 00 59.59

ATOM 2979 N3 GUA 122 7.270 -6.590 -9.583 00 58.49

ATOM 2980 C2 GUA 122 7.266 -6.573 -8.261 00 58.15

ATOM 2981 N2 GUA 122 7.538 -7.692 -7.579 00 58.13

ATOM 2982 Nl GUA 122 6.993 -5.458 -7.509 00 58.05

ATOM 2983 C6 GUA 122 6.686 -4.203 -8.023 00 58.63

ATOM 2984 06 GUA 122 6.454 -3.264 -7.255 00 59.59

ATOM 2985 C5 GUA 122 6.688 -4.205 -9.446 00 58.73

ATOM 2986 N7 GUA 122 6.439 -3,.180 -10.349 00 59.22

ATOM 2987 C8 GUA 122 6.574 -3..740 -11.521 00 60.22

ATOM 2988 C2' GUA 122 5.805 -6.821 -12.793 00 64.99

ATOM 2989 O2' GUA 122 6.152 -8.100 -13.288 00 65.40

ATOM 2990 C3' GUA 122 5.110 -5.963 -13.840 00 65.73

ATOM 2991 O3¹ GUA 122 4.123 -6.722 -14.537 00 66.92

ATOM 2992 P GUA 123 2.608 -6.757 -13.984 00 68.13

ATOM 2993 O1P GUA 123 1.808 -7.561 -14.945 00 68.20

ATOM 2994 02P GUA 123 2.187 -5.367 -13.662 00 67.63

ATOM 2995 05" GUA 123 2.701 -7.577 -12.618 00 67.33

ATOM 2996 C5' GUA 123 3.100 -8.943 -12.622 00 66.96

ATOM 2997 C4 ^• GUA 123 3.364 -9.432 -11.213 00 66.61

ATOM 2998 04' GUA 123 4.380 -8.601 -10.586 00 65.58

ATOM 2999 Cl¹ GUA 123 4.192 -8.611 -9.177 00 64.44

ATOM 3000 N9 GUA 123 3.968 -7.244 -8.722 00 62.00

ATOM 3001 C4 GUA 123 3.948 -6.823 -7.415 00 59.41

ATOM 3002 N3 GUA 123 4.148 -7.602 -6.331 00 58.52

ATOM 3003 C2 GUA 123 4.058 -6.915 -5.206 00 57.68

ATOM 3004 N2 GUA 123 4.224 -7.540 -4.029 00 57.13

ATOM 3005 Nl GUA 123 3.796 -5.567 -5.149 00 56.15

ATOM 3006 C6 GUA 123 3.590 -4.744 -6.252 00 56.45

ATOM 3007 06 GUA 123 3.364 -3.542 -6.089 00 54.16

ATOM 3008 C5 GUA 123 3.681 -5.472 -7.468 00 58.29

ATOM 3009 N7 GUA 123 3.542 -5.048 -8.784 00 58.99

ATOM 3010 C8 GUA 123 3.723 -6.131 -9.492 00 61.32

ATOM 3011 CZ' GUA 123 2.973 -9.491 -8.898 00 65.92

ATOM 3012 02' GUA 123 3.396 -10.817 -8.634 00 65.94

ATOM 3013 C3' GUA 123 2.219 -9.368 -10.216 00 66.86

ATOM 3014 O3¹ GUA 123 1.296 -10.439 -10.377 1.00 68.07

ATOM 3015 P ADE 124 0.211 -10.270 -9.841 1.00 68.96

ATOM 3016 OlP ADE 124 0.988 -11.440 -10.329 1.00 69.23

ATOM 3017 02P ADE 124 0.666 -8.893 -10.171 1.00 68.42

ATOM 3018 O5¹ ADE 124 0.083 -10.380 -8.255 1.00 68.49

ATOM 3019 C5¹ ADE 124 0.473 -11.541 -7.641 1.00 68.87

ATOM 3020 C4¹ ADE 124 0.605 -11.332 -6.150 1.00 69.45

ATOM 3021 04' ADE 124 1.534 -10.245 -5.894 1.00 68.80

ATOM 3022 Cl' ADE 124 1.110 -9.511 -4.755 1.00 68.24

ATOM 3023 N9 ADE 124 0.855 -8.132 -5 168 1. ,00 66.19

ATOM 3024 C4 ADE 124 0.791 -7.034 -4 344 1. ,00 64.48

ATOM ^'3025 N3 ADE 124 0.939 -7.007 -3.007 1..00 63.40

ATOM 3026 C2 ADE 124 0.821 -5.763 -2.548 1..00 62.17

ATOM 3027 Nl ADE 124 0.589 -4 629 -3.219 1, .00 62.22

ATOM 3028 C6 ADE 124 0.445 -4 690 -4.561 1..00 62.43

ATOM 3029 N6 ADE 124 0.219 -3.559 -5.231 1.00 61.74

ATOM 3030 C5 ADE 124 0.547 -5.952 -5.172 1.00 63.54

ATOM 3031 N7 ADE 124 0.452 -6.360 -6.497 1.00 63.77 ATOM 3032 C8 ADE 124 0.640 -7.657 -6.440 1.00 65.06

ATOM 3033 C2' ADE 124 -0.125 -10.215 -4.191 1.00 69.34

ATOM 3034 02" ADE 124 0.269 -11.123 -3.183 1.00 69.53

ATOM 3035 C3' ADE 124 -0.668 -10.910 -5.433 1.00 70.12

ATOM 3036 03 ^■ ADE 124 -1.464 -12.044 -5.105 1.00 71.40

ATOM 3037 P ADE 125 -3.021 -11.851 -4.749 1.00 72.32

ATOM 3038 O1P ADE 125 -3.544 -10.704 -5.538 1.00 71.59

ATOM 3039 O2P ADE 125 -3.678 -13.182 -4.865 1.00 72.26

ATOM 3040 O5' ADE 125 -3.014 -11.425 -3.213 1.00 71.36

ATOM 3041 C5' ADE 125 -4.167 -10.845 -2.615 1.00 70.68

ATOM 3042 C4 ' ADE 125 -3.797 -10.167 -1.321 1.00 69.98

ATOM 3043 04 ' ADE 125 -2.577 -9.411 -1.520 1.00 69.44

ATOM 3044 Cl' ADE 125 -2.707 -8.130 -0.931 1.00 68.95

ATOM 3045 N9 ADE 125 -2.771 -7.155 -2.020 1.00 66.71

ATOM 3046 C4 ADE 125 -2.603 -5.794 -1.928 1.00 64.48

ATOM 3047 N3 ADE 125 -2.331 -5.077 -0.826 1.00 63.66

ATOM 3048 C2 ADE 125 -2.251 -3.780 -1.118 1.00 62.68

ATOM 3049 Nl ADE 125 -2.401 -3.167 -2.296 1.00 62.43

ATOM 3050 C6 ADE 125 -2.673 -3.919 -3.385 1.00 62.36

ATOM 3051 N6 ADE 125 -2.825 -3.309 -4.562 1.00 61.80

ATOM 3052 C5 ADE 125 -2.781 -5.307 -3.211 1.00 63.38

ATOM 3053 N7 ADE 125 -3.044 -6.342 -4.098 1.00 63.74

ATOM 3054 C8 ADE 125 -3.025 -7.413 -3.345 1.00 65.00

ATOM 3055 C2' ADE 125 -3.974 -8.158 -0.069 1.00 70.00

ATOM 3056 02' ADE 125 -3.677 -8.583 1.248 1.00 71.18

ATOM 3057 C3' ADE 125 -4.828 -9.163 -0.829 1.00 69.97

ATOM 3058 03' ADE 125 -5.789 -9.788 0.013 1.00 69.87

ATOM 3059 Cl GLP 2616 44.658 11.004 14.054 1.00 44.13

ATOM 3060 C2 GLP 2616 43.944 12.282 13.502 1.00 43.07

ATOM 3061 C3 GLP 2616 44.002 12.295 11.962 1.00 42.65

ATOM 3062 C4 GLP 2616 45.480 12.252 11.539 1.00 43.35

ATOM 3063 C5 GLP 2616 46.130 10.960 12.106 1.00 44.89

ATOM 3064 C6 GLP 2616 47.594 10.919 11.723 1.00 45.77

ATOM 3065 Ol GLP 2616 43.971 9.808 13.663 1.00 45.77

ATOM 3066 N2 GLP 2616 42.540 12.298 13.959 1.00 40.66

ATOM 3067 O3 GLP 2616 43.389 13.498 11.465 1.00 45.59

ATOM 3068 O4 GLP 2616 45.553 12.265 10.103 1.00 42.08

ATOM 3069 O5 GLP 2616 46.042 10.971 13.568 1.00 45.36

ATOM 3070 O6 GLP 2616 48.212 12.068 12.281 1.00 47.65

ATOM 3071 P GLP 2616 49.688 12.334 11.635 1.00 50.21

ATOM 3072 O1P GLP 2616 49.92.0 13.806 11.580 1.00 51.44

ATOM 3073 O2P GLP 2616 50.763 11.604 12.519 1.00 51.13

ATOM 3074 O3P GLP 2616 49.758 11.728 10.143 1.00 48.64

ATOM 3075 MG+2 MG2 901 45.460 13.544 24.159 1.00 39.22

ATOM 3076 MG+2 MG2 903 7.440 -1.032 -2.343 1.00 39.51

ATOM 3077 MG+2 MG2 904 52.761 22.797 20.257 1.00 27.93

ATOM 3078 MG+2 MG2 907 25.545 27.004 13.898 1.00 58.13

ATOM 3079 MG+2 MG2 908 42.508 22.874 43.963 1.00 65.71

ATOM 3080 MG+2 MG2 909 50.513 8.965 11.561 1.00 54.00

ATOM 3081 MG+2 MG2 910 51.604 17.205 10.823 1.00 64.26

ATOM 3082 MG+2 MG2 911 54.809 15.175 15.638 1.00 49.11

ATOM 3083 MG+2 MG2 912 41.738 20.442 13.154 1.00 41.62

ATOM 3084 O HOH 401 45.313 14.968 22.557 1.00 30.61

ATOM 3085 O HOH 402 45.693 12.416 25.912 1.00 32.31

ATOM 3086 O HOH 505 55.298 11.244 20.834 1.00 29.59

ATOM 3087 O HOH 506 58.484 19.485 22.215 1.00 38.55

ATOM 3088 O HOH 507 32.243 19.242 24.549 1.00 39.47

ATOM 3089 O HOH 508 37.037 32.882 29.151 1.00 33.65

ATOM 3090 O HOH 509 35.692 31.785 23.312 1.00 31.30 ATOM 3091 O HOH 513 16.442 12.306 7.569 1.00 34.01

ATOM 3092 O HOH 514 16.174 3.702 7.534 1.00 38.99

ATOM 3093 O HOH 516 21.814 19.164 12.341 1.00 40.84

ATOM 3094 O HOH 518 23.953 26.028 12.524 1.00 40.48

ATOM 3095 o HOH 519 33.331 16.514 13.249 1.00 36.11

ATOM 3096 o HOH 520 36.574 12.228 22.396 1.00 36.97

ATOM 3097- O HOH 522 69.126 13.657 33.017 1.00 50-58

ATOM 3098 o HOH 523 62.130 15.747 35.735 1.00 34.00

ATOM 3099 O HOH 529 45.052 25.349 15.309 1.00 35.09

ATOM 3100 o HOH 531 59.730 12.914 39.178 1.00 29.99

ATOM 3101 o HOH 532 51.959 20.133 36.637 1.00 37.23

ATOM 3102 o HOH 534 47.100 22.589 24.717 1.00 23.78

ATOM 3103 o HOH 537 16.736 7.755 -6.624 1.00 37.51

ATOM 3104 o HOH 547 31.992 5.752 17.721 1.00 34.94

ATOM 3105 o HOH 554 52.562 23.091 40.166 1.00 32.34

ATOM 3106 o HOH 556 37.396, 27.487 23.294 1.00 24.28

ATOM 3107 o HOH 557 37.344 29.966 21.968 1.00 27.35

ATOM 3108 o HOH 559 52.263 14.565 14.803 1.00 28.21

ATOM 3109 o HOH 563 33.011 1.120 10.020 1.00 41.79

ATOM 3110 O HOH 564 40.656 16.902 10.651 1.00 39.45

ATOM 3111 o HOH 565 40.079 20.901 11.275 1.00 48.76

ATOM 3112 O HOH 566 42.739 27.310 15.940 1.00 51.30

ATOM 3113 O HOH 568 40.828 10.171 13.129 1.00 33.21

ATOM 3114 o HOH 569 45.972 30.134 20.149 1.00 35.04

ATOM 3115 o HOH 570 58.900 19.734 26.301 1.00 31.00

ATOM 3116 o HOH 571 58.657 17.715 19.969 1.00 28.14

ATOM 3117 O HOH 576 43.088 12.873 34.605 1.00 25.06

ATOM 3118 o HOH 577 63.308 19.971 42.680 1.00 50.37

ATOM 3119 O HOH 578 57.315 12.059 48.512 1.00 36.11

ATOM 3120 o HOH 579 55.488 20.936 32.511 1.00 33.21

ATOM 3121 O HOH 580 34.503 0.209 12.934 1.00 34.32

ATOM 3122 O HOH 581 15.065 14.819 -2.269 1.00 37.65

ATOM 3123 O HOH 585 45.033 19.418 35.339 1.00 23.86

ATOM 3124 o HOH 586 61.946 10.987 27.023 1.00 34.10

ATOM 3125 O HOH 588 42.798 28.842 37.778 1.00 35.94

ATOM 3126 o HOH 589 53.158 20.309 22.199 1.00 33.29

ATOM 3127 O HOH 591 56.549 13.010 38.488 1.00 41.02

ATOM 3128 O HOH 595 60.115 19.998 43.220 1.00 42.24

ATOM 3129 o HOH 596 56.044 19.484 45.920 1.00 32.47

ATOM 3130 O HOH 597 54.594 21.654 42.470 1.00 35.98

ATOM 3131 O HOH 599 50-736 23.010 37.175 1.00 42.47

ATOM 3132 o HOH 602 37.298 23.757 32.659 1.00 35.52

ATOM 3133 o HOH 604 •43.375 16.892 32.976 1.00 35.99

ATOM 3134 o HOH 605 50.572 11.728 40.661 1.00 34.33

ATOM 3135 O HOH 606 60.930 10.369 43.479 1.00 30.42

ATOM 3136 O HOH 608 28.704 20.9.04 19.763 1.00 30.91

ATOM 3137 o HOH 611 44.365 16.603 36.056 1.00 30.16

ATOM 3138 o HOH 615 64.435 12.842 20.089 1.00 47.30

ATOM 3139 o HOH 617 21.257 -4.544 0.108 1.00 38.10

ATOM 3140 o HOH 618 50.235 23.368 18.696 1.00 33.19

ATOM 3141 O HOH 621 33.959 1.008 4.969 1.00 47.82

ATOM 3142 o HOH 623 63.369 10.548 12.667 1.00 32.00

ATOM 3143 o HOH 625 43.045 16.350 29.746 1.00 29.60

ATOM 3144 o HOH 626 47.213 19.427. 33.284 1.00 28.45

ATOM 3145 o HOH 628 32.135 17.185 26.543 1.00 34.97

ATOM 3146 O HOH 629 30.116 0.485. -2.876 1.00 38.23

ATOM 3147 o HOH 630 33.877 25.616 11.966 1.00 38.34

ATOM 3148 o HOH 634 47.049 12.629 23.052 1.00 41.27

ATOM 3149 o HOH 636 30.316 17.447 21.881 1.00 41.23 ATOM 3150 O HOH 639 52.708 11.645 23.938 1.00 45.55

ATOM 3151 O HOH 640 42.135 18.828 35.612 1.00 29.51

ATOM 3152 O HOH 643 57.038 25.431 20.164 1.00 45.83

ATOM 3153 O HOH 644 10.435 -2.701 -2.772 1.00 46.36

ATOM 3154 O HOH 651 44.599 14.259 43.730 1.00 29.44

ATOM 3155 O HOH 653 65.094 11.988 34.051 1.00 37.16

ATOM 3156 O HOH 655 59.740 17.846 44.787 1.00 39.70

ATOM 3157 O HOH 656 50.069 25.712 34.688 1.00 36.11

ATOM 3158 O HOH 658 27.396 -9.759 6.938 1.00 44.06

ATOM 3159 O HOH 664 49.011 1.870 19.125 1.00 40.27

ATOM 3160 O HOH 701 49.087 22.721 34.693 1, 00 34.71

ATOM 3161 O HOH 702 46.672 16.525 43.716 1.00 35.92

ATOM 3162 O HOH 703 27.101 12.219 19.695 1.00 35.59

ATOM 3163 O HOH 705 57.286 24.072 36.820 1.00 35.93

ATOM 3164 O HOH 706 31.366 25.648 24.573 1.00 40.84

ATOM 3165 O HOH 707 23.463 1.245 -2.833 1, 00 49.67

ATOM 3166 O HOH 708 20.000 -2.053 -0.007 1.00 46.46

ATOM 3167 O HOH 709 31.644 -1, 164 6.441 1.00 37.21

ATOM 3168 O HOH 711 8.571 -10.824 -9.275 1, 00 52.57

ATOM 3169 O HOH 712 43.851 26.573 42.077 1, 00 39.68

ATOM 3170 O HOH 713 28.889 19.502 23.370 1, 00 53.18

ATOM 3171 O HOH 716 45.267 22.212 14.459 1.00 40.42

ATOM 3172 O HOH 717 57.011 23.093 31.738 1, 00 40.36

ATOM 3173 O HOH 718 34.728 26.031 25.824 1 00 27.45

ATOM 3174 O HOH 719 16.305 4.446 -11.733 1.00 48.54

ATOM 3175 O HOH 720 26.515 25.028 14.450 1, 00 41.20

ATOM 3176 O HOH 721 26.927 27.019 12.466 1, 00 39.47

ATOM 3177 O HOH 722 24.872 28.982 13.338 1, 00 50.16

ATOM 3178 O HOH 724 48.679 15.723 45.978 1.00 36.40

ATOM 3179 O HOH 725 30.478 25.468 21.329 1.00 27.49

ATOM 3180 O HOH 727 51.212 1.105 16.534 1 00 45.66

ATOM 3181 O HOH 729 14.962 1.175 11.063 1, 00 43.10

ATOM 3182 O HOH 731 29.592 29.399 13.799 1, 00 44.53

ATOM 3183 O HOH 733 33.564 23.404 9.646 1.00 38.08

ATOM 3184 O HOH 734 28.941 29.000 21.343 1, 00 39.63

ATOM 3185 O HOH 735 35.508 16.188 28.777 1, 00 38.34

ATOM 3186 O HOH 737 37.054 8.574 11.571 1.00 31.57

ATOM 3187 O HOH 738 37.024 11.136 9.433 1, 00 50.00

ATOM 3188 O HOH 739 34.311 8.890 20.612 1 00 40.34

ATOM 3189 O HOH 740 55.386 23.445 21.541 1.00 46.35

ATOM 3190 O HOH 741 49.202 20.174 24.878 1 00 36.56

ATOM 3191 O HOH 744 54.136 12.884 17.629 1, 00 35.15

ATOM 3192 O HOH 745 50.992 10.253 17.055 1.00 43.33

ATOM 3193 O HOH 747 55.741 9.380 23.012 1.00 41.53

ATOM 3194 O HOH 748 38.937 0.714 18.480 1, 00 50.22

ATOM 3195 O HOH 749 33.165 -1.862 13.808 1, 00 41.55

ATOM 3196 O HOH 750 23.048 28.610 19.114 1, 00 44.70

ATOM 3197 O HOH 751 60.094 14.916 33.034 1, 00 39.41

ATOM 3198 O HOH 753 52.986 11.386 15.652 1.00 42.89

ATOM 3199 O HOH 757 51.059 24.632 27.115 1.00 35.76

ATOM 3200 O HOH 760 29.216 10.936 11.981 1, 00 43.24

ATOM 3201 O HOH 761 23.914 18.978 22.434 1.00 47.17

ATOM 3202 O HOH 763 51.607 32.318 33.417 1.00 43.30

ATOM 3203 O HOH 768 42.690 19.985 43.803 1, 00 45.51

ATOM 3204 O HOH 772 27.955 7.077 11.485 1, 00 45.35

ATOM 3205 O HOH 777 27.989 3.893 11.105 1.00 38.80

ATOM 3206 O HOH 778 27.051 -8.300 9.723 1, 00 45.02

ATOM 3207 O HOH 780 35.333 18.708 38.188 1, 00 46.08

ATOM 3208 O HOH 781 64.668 26.085 30.121 1.00 41.67 ATOM 3209 O HOH 787 14.443 7.934 -3.933 1.00 49.20

ATOM 3210 O HOH 788 15.072 25.639 5.376 1.00 48.97

ATOM 3211 o HOH 786 61.639 19.502 26.763 1.00 40.00

ATOM- 3212 o HOH ^• 638 39.763 13.335 22.592 1.00 35.31

ATOM 3213 O HOH 549 40.642 -3.131 5.631 1.00 52.53

ATOM 3214 O HOH 539 48.377 11.751 18.989 1.00 37.95

ATOM 3215 o HOH 714 49.485 6.034 9.706 1.00 45.03

ATOM 3216 o HOH 800 58.272 8.779 23.377 1.00 55.63

ATOM 3217 o HOH 801 61.554 21.739 24.777 1.00 33.23

ATOM 3218 o HOH 802 62.048 23.924 22.997 1.00 40.92

ATOM 3219 .0 HOH ^■ 803 61.066 20.492 22.136 1.00 34.49

ATOM 3220 O HOH 804 55.503 12.542 28.107 1.00 32.48

ATOM 3221 o HOH 805 39.342 21.093 33.089 1.00 36.96

ATOM 3222 o HOH 806 34.118 23.483 31.374 1.00 43.53

ATOM. 3223 o HOH 807 41.014 7.294 14.-141 1. 00 33.02

ATOM 3224 o HOH 808 53.212 10.532 10.762 1.00 39.32

ATOM 3225 O HOH 809 34.101 10.532 11.498 1.00 31.27

ATOM 3226 o HOH 810 30.563 7.221 10.726 1.00 33.66

ATOM 3227 o HOH 811 24.480 27.158 15.729 1.00 56.28

ATOM 3228 o HOH 812 39.119 10.813 11.171 1.00 41.52

ATOM 3229 o HOH 813 36.339 11.652 12.307 1.00 38.85

ATOM 3230 o HOH 814 52.572 10.558 19.^'583 1.00 35.81

ATOM 3231 o HOH 815 37.058 8.944 21.031 1.00 60.07

ATOM 3232 o HOH 816 44.501 10.002 8.535 1.00 44.52

ATOM 3233 o HOH 817 58.085 2.992 16.623 1.00 42.62

ATOM 3234 o HOH 818 68.716 24.627 36.529 1.00 43.36

ATOM 3235 o HOH 819 56.905 20.226 43.307 1.00 43.03

ATOM 3236 o HOH 820 52.960 18.590 31.727 1.00 59.03

ATOM 3237 o HOH 821 49.521 2.458 9.774 1.00 47.31

ATOM 3238 o HOH 822 50.140 19.306 31.399 ,00 44.34

ATOM 3239 o HOH 823 48.765 15.639 33.861 ,00 32.88

ATOM 3240 o HOH 824 33.247 24.577 27.610 ,00 38.84

ATOM 3241 o HOH 825 31.688 22.240 24.466 00 46.20

ATOM 3242 o HOH 826 30.01.5 31.068 22.465 00 50.04

ATOM 3243 o HOH 827 22.978 25.857 8.141 ,00 45.34

ATOM 3244 o HOH 828 21.145 17.189 13.971 .00 44.99

ATOM 3245 o HOH 829 16.251 16.055 11.252 1.00 42.95

ATOM 3246 o HOH 830 24.728 12.508 12.672 00 42.91

ATOM 3247 o HOH 831 31.667 12.024 12.440 00 48.54

ATOM 3248 o HOH 832 17.533 8.095 -2.441 00 48.52

ATOM 3249 o HOH 833 12.625 -1.457 -1.167 00 39.64

ATOM 3250 o HOH 834 21.417 -0.320 -3.740 00 56.97

ATOM 3251 o HOH 835 24.598 3.308 -4.802 00 40.08

ATOM 3252 o HOH 836 8.977 11.927 1.424 00 Al .21

ATOM 3253 o HOH 837 17.760 -2.219 -2.799 00 48.16

ATOM 3254 o HOH 838 24.924 -4.011 -11.353 00 43.67

ATOM 3255 o HOH 839 37.432 -1.964 6.799 00 56.11

ATOM 3256 o HOH 840 38.137 0.345 -5.609 00 48.91

ATOM 3257 o HOH 841 39.211 -3.851 -3.251 00 58.16

ATOM 3258 o HOH 842 37.145 3.917 21.413 00 38.94

ATOM 3259 o HOH 843 52.-101 7.563 10.462 00 39.19

ATOM 3260 o HOH 844 51.825 15.781 12.304 00 46.03

ATOM 3261 o HOH 845 54.074 14.452 10.715 00 50.44

ATOM 3262 o HOH .846 52.051 12.525 13.851 00 49.03

ATOM 3263 o HOH 847 54.149 12.581 12.741 00 53.80

ATOM 3264 o HOH 848 43.970 19.199 14.731 00 43.89

ATOM 3265 o HOH 849 43.199 16.320 13.164 1.00 53.07

END The foregoing is illustrative of the present invention, and is not to be construed as limiting thereof. The invention is defined by the following claims, with equivalents of the claims to be included therein.

Claims

THAT WHICH IS CLAIMED IS:

1. A crystal consisting essentially of GImS ribozyme.

2. The crystal of claim 1, wherein said GImS ribozyme is selected from the group consisting of Bacillus subtilis, Bacillus anlhracis, Bacillus cereus, Bacillus halodurans, Bacillus subtilis, Thermoanaerobacter tengcongensis, Oceanobacillus iheyensis, Clostridium perfringens, Clostridium acetobutylicum, Clostridium tetani, Enterococcus faecalis, Staphylococcus epidermis, Staphylococcus aureus, Listeria monocytogenes, Listeria innocua, and Lactobacillus plantarum.

3. The crystal of claim 1 in dehydrated form.

4. The crystal of claim 1 having unit cell dimensions of a=180.5 to 1S1.2A, b=39.7 to 41.3 A, and c=70.8 to 71.4A.

5. A method of identifying a GImS ribozyme binding compound, comprising:

(a) providing in a computer a three-dimensional structural representation of GImS ribozyme or a glucosamine-6-phosphate (GlcN6P) binding portion thereof; and

(b) screening in said computer a candidate compound for an ability to bind to said three-dimensional structural representation.

6. The method of claim 5, wherein said three-dimensioinal structural representation is provided at a resolution of from 4.0 A to 1.0 A.

7. The method of claim 5, wherein said three-dimensional structural representation comprises the atomic structure coordinates of said GImS ribozyme or GlcNόP binding portion thereof.

8. The method of claim 5, wherein said candidate compound is a member of a compound library.

9. The method of claim 5, wherein said candidate compound is generated in said computer from a library of substituents.

10. The method of claim 5, further comprising the steps of:

(c) providing said compound; and

(d) contacting said compound to GImS ribozyme in vitro to confirm binding thereof to GImS.

11. The method of claim 10, wherein said contacting step further comprises detecting the activation of self-cleaveage of said GImS ribozyme by said compound, the activation of self-cleavage indicating said compound has antibiotic activity against gram positive bacteria.

12. A method of identifying a non-naturally occuring GImS ribozyme analog, comprising:

(a) providing in a computer a three-dimensional structural representation of GImS ribozyme or a glucosamine-6-phosphate (GlcN6P) binding portion thereof;

(b) replacing or deleting at least one base in said three-dimensional structural representation to produce a non-naturally occuring GImS ribozyme; and then

(c) optionally synthesizing said non-naturally occuring GImS ribozyme.

13. A non-naturally occuring GImS ribozyme produced by the method of claim 12.

14. A computer containing and optionally displaying a virtual three-dimensional structural representation of GImS ribozyme or a glucosamine-6-phosphate (GlcNβP) binding portion thereof.

15. A computer containing atomic coordinates for a three-dimensional structural representation of GImS ribozyme or a glucosamine-6-phosphate (GlcN6P) binding portion thereof.

16. A data structure comprising atomic coordinates for a three-dimensional structural representation of GImS ribozyme or a glucosamine-6-phosphate (GlcN6P) binding portion thereof.

17. A storage medium containing atomic coordinates for a three-dimensional structural representation of GImS ribozyme or a glucosamine-6-phosphate (GlcN6P) binding portion thereof.

18. A method of screening a test compound for binding to GImS ribozyme, comprising: crystalizing said compound with GImS ribozyme, optionally in the presence of a known binding compound known to bind to said GImS ribozyme, to produce a crystal; and then detecting the binding of said test compound to said GImS ribozyme in said crystal, optionally including detecting the displacement of binding of said known binding compound.