WO2003031986A2 - Application of the crystal structure of nusa in drug discovery - Google Patents

Abstract

The present invention relates to the structure and interactions of NusA, which is a component of the rrn anti-termination complex. Methods and means are provided for obtaining compounds which modulate the activity of NusA and thus modulate anti-termination. These compounds are useful in a therapeutic context.

Description

METHODS RELATING TO THE STRUCTURE AND INTERACTIONS OF NUSA

Field of the Invention

The present invention relates to the M. tuberculosis rrn anti-termination complex, in particular the crystal structure of M. tuberculosis NusA and its uses and applications in drug discovery.

Background of the Invention The regulation of RNA chain synthesis is a complex process orchestrated by a multi-protein assembly. One of its essential components in prokaryotes is the product of the nusA gene, which governs transcriptional elongation, pausing, termination and anti-termination (Richardson, J.P. & Greenblatt, J. (1996). In Neidhardt, F.C. et al (eds.)

Cellular and Molecular Biology, American Society for

Microbiology, Washington, DC, pp. 822-848.)

The core RNA polymerase associates with the sigma factor, sigA, to form a holoenzyme that is capable of promoter recognition. As the polymerase complex enters the transcriptional elongation phase, NusA replaces SigA in the complex (Gill, S. C, Weitzel, S. E. & von Hipel, P. H. J^". Mol . Biol . 220, 307-324. (1991), Gill, Ξ. C, Yager, T. D. & von Hipel, P. H. J. Mol . Biol . 220, 325-333. (1991).)

Biochemical studies on the E. coli NusA protein (Mah, T-F. et al Genes & Dev. 14, 2664-2675. (2000)) have shown that NusA has RNA binding properties, consistent with the presence of a ribosomal SI protein-like module and two KH RNA binding motifs identified from sequence comparisons (Gibson, T. J. et al FEBS 324, 361-366. (1993)).

Many of the E. coli proteins involved in the transcription process appear to have homologues in M. tuberculosis (Cole_/ S. T. et al., Nature 393, 537-544 (1998)). Mycobacteria can be sub-divided into fast-growing and slow-growing species and virtually all of the pathogenic species, such as M. tuberculosis and Mycobacterium leprae (the human leprosy bacillus) are slow-growers. Slow growth is generally considered to be an important adaptation for intracellular pathogenicity (Ji Y., Colston, M.J. & Cox, R.A. Microbiol 140, 2829-2840. (1994)). The rate of growth of bacteria broadly correlates with the number of ribosomal RNA operons (rrn operons) , although promoter strength and operon transcription efficiency are also important factors (Bremmer, H. & Dennis, P. P. In Cellular and Molecular Biology eds Neidhardt, F. C. et al . 1527-1542. (American Society for Microbiology, Washington, DC; 1987) ) . E. coli has seven rrn operons, whereas fast growing species of mycobacteria such as Mycobacterium phlei and Mycobacterium smegmatis have two. Slow growers such as M. tuberculosis and M. leprae have a single rrn operon (Bercovier, H. , Kafri, O. & Sela, S. Biochem. Biophys . Res . Comm . 136, 1136-1141. (1986) ) .

The rrn anti-termination system allows a transcription elongation complex which transcribes a rrn leader sequence to read through Rho dependent transcription terminators. Termination only occurs at (strong) intrinsic terminators.

Anti-termination is signalled by the presence of a specific sequence (the nut site) located downstream of the promoters. As the RNAP transcribes the rrn box A sequence, a complex comprising RNAP, NusA, NusB, NusE and NusG assembles. This complex mediates anti-termination. Previous work from our laboratory (Gopal, B. et al Nat . Struct . Biol . 7, 475-478. (2000), Gopal, B. et al Biochemistry 40, 920-928. (2001)) has indicated that the mechanism of anti-termination in M. tuberculosis is not the 5 same as that in E. coli . For instance, M. tuberculosis ΝusB is a dimer in solution whereas the E. coli homologue is a monomer (Altieri, A. S. et al . , Nature Struct Biol 7, 470- 474 (2000) ) .

L0 Knowledge of the interactions and structure of components of the rrn anti -termination complex such as ΝusA, allows the rational design of novel therapeutics which disrupt anti- termination, for example by binding to particular target regions within the ΝusA sequence. Such therapeutics may be

L5 useful in the treatment of Mycobacterial infection.

Definitions

In the following, "binding site" means a site or region

(such as an atom, a functional group of an amino acid 0 residue or a plurality of such atoms ^' and/or groups) of the

ΝusA protein which binds or interacts with another molecule, for example a rrn nucleic acid, RΝA polymerase or a component of the rrn anti-termination complex. Such a site may be on the surface of the protein or within a binding

.5 cavity which is accessible to another molecule. A binding site may bind to an agent compound such as a candidate inhibitor. Depending on the particular molecule in the cavity, sites may exhibit attractive or repulsive binding interactions, brought about by charge, steric considerations

50 and the like._.

By "fitting", is meant determining by automatic, or semiautomatic means, interactions between one or more atoms of an agent molecule and one or more atoms or binding sites of the NusA protein, and calculating the extent to which such interactions are stable. Various computer-based methods for fitting are described further herein.

By "root mean square deviation" is meant the square root of the arithmetic mean of the squares of the deviations from the mean.

By a "computer system" is meant the hardware means, software means and data storage means used to analyse atomic coordinate data. The minimum hardware means of the computer-based systems of the present invention comprises a central processing unit (CPU) , input means, output means and data storage means. Desirably, a monitor is provided to visualise structure data. The data storage means may be RAM or means for accessing computer readable media of the invention. Examples of such systems are microcomputer workstations available from Silicon Graphics Incorporated and Sun Microsystems running Unix based, Windows NT or IBM OS/2 operating systems.

By "computer readable media" is meant any media which can be read and accessed directly by a computer e.g. so that the media is suitable for use in the above-mentioned computer system. 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 and ROM; and hybrids of these categories such as magnetic/optical storage media.

By "NusA" , "NusB" , "NusE" and "NusG" , is meant M. tuberculosis NusA, NusB, NusE and NusG, unless otherwise stated. The database accession numbers of the loci are as follows :

NusA locus-CAB08449 (347aa) ; PID : g3261746 ;DB source: EMBL locus MTCY 24A1 number Z95207.1; NusB locus-CAB0615 (156aa) ;PID:gl781069; DB source: EMBL locus MTCY159, number Z83863.1; PBL code 1EYV; NusE locus- CAB0643; PID :gl806168 ; DB source: EMBL locus MTCY 210 number Z84395.1.

NusG locus CAB07098; PID gl877377; DB source: EMBL locus MTCY 20H10, number Z92772.1.

By "flexible linker" or "loop", is meant residues 100 to 107 of the M. tuberculosis NusA sequence, which link the N and C terminals and have a flexible structure.

Summary of the Invention

The present invention is at least partly based on overcoming several technical hurdles : the inventors have ( i ) produced M. tuberculosis NusA crystals of suitable quality for performing X-ray dif fraction analyses , ( ii ) collected X-ray diffraction data from the crystals , ( iii ) determined the three-dimensional structure of M. tuberculosis NusA, ( iv) identified regions and sites on the M. tuberculosis NusA protein which are likely to be involved in the binding interactions with other molecules which provide for anti- termination of transcription and (v) characterised the NusA interaction with the rrn leader sequence .

The presence of a f lexible loop or linker , which is labile and susceptible to proteolysis , presents particular difficulties for the crystallisation . The N terminal domain also presents problems and it appears in one of the two molecules in the crystal lattice to be completely disordered . The other N-terminal domain, however , appeared to be well-defined, allowing the inventors to make unambiguous assignments of the main and side chain orientations of all residues .

The present inventors have produced a crystal of M. tuberculosis NusA having a monoclinic space group P3₂21, and unit cell dimensions of a = 89.0 A, b = 89.0 A, c = 180.2 A.

The asymmetric unit of such a crystal corresponds to a NusA dimer.

The crystal- structure of M. tuberculosis NusA has been found to comprise an N-terminal domain having an ₃β₃ structure (helices HI to H3 and strands SI to S3), a flexible linker of eight amino acids and a C terminal domain comprising an SI region having a five stranded β-barrel (strands S4-S8 with a turn of 3₁₀ helix H4) and two K homology domains, each having a α₃β₃ structure (KH1: H6-H8, S9-S11; KH2 : H9-H11, S21-S14) . The correspondence of the secondary and primary structures is shown in figure 4.

The crystal may have the three dimensional atomic coordinates of Table 2. An advantageous feature of the structural data according to Table 2 is the high resolution of about 1.7 A.

The coordinates of Table 2 provide a measure of atomic location in Angstroms, to a first decimal place. The coordinates are a relative set of positions that define a shape in three dimensions, so it is possible that an entirely different set of coordinates having a different origin and/or axes could define a similar or identical shape . Furthermore, varying the relative atomic positions of the ^•atoms of the structure so that the root mean square deviation of the residue backbone atoms (i.e. the nitrogen- carbon-carbon backbone atoms of the protein amino acid residues) is less than 1.5 A (preferably less than 1.0 A and more preferably less than 0.5 A) when superimposed on the coordinates provided in Table 2 for the residue backbone atoms, will generally result in a structure which is substantially the same as the structure of Table 2 in terms of both its structural characteristics and potency for structure-based design of anti-termination disruptors or inhibitors. Likewise changing the number and/or positions of the water molecules and/or substrate molecules of Table 2 will not generally affect the potency of the structure for structure-based design of such disruptors or inhibitors.

Thus, for the purposes described herein as being aspects of the present invention, it is within the scope of the invention if: the Table 2 coordinates are transposed to a ' different origin and/or axes; the relative atomic positions of the atoms of the structure are varied so that the root mean square deviation of residue backbone atoms is less than 1.5 A (preferably less than 1.0 A and more preferably less than 0.5 A) when superimposed on the coordinates provided in Table 2 for the residue backbone atoms; and/or the number and/or positions of water molecules and/or substrate molecules is varied. Reference herein to the coordinate data of Table 2 thus includes the coordinate data in which one or more individual values of the Table^' are, varied in this way.

Also, modifications in the M. tuberculosis NusA crystal structure due to e.g. mutations, additions, substitutions, and/or deletions of amino acid residues could account for variations in the NusA. atomic coordinates. However, atomic coordinate data of NusA modified so that a ligand that bound to one or more binding sites of NusA would be expected to bind to the corresponding binding sites of the modified NusA are, for the purposes described herein as being aspects of the present invention, also within the scope of the invention. Reference herein to the coordinates of Table 2 thus includes the coordinates modified in this way. Preferably, the modified coordinate data define at least one NusA binding site or cavity.

The crystals may be grown by any suitable method, e.g. the hanging drop method.

In some general aspects, the present invention is concerned with identifying or obtaining agent compounds which interact with NusA and modulate transcription of the rRNA operon in mycobacteria, in particular in M. tuberculosis, and in preferred embodiments, identifying or obtaining actual agent compounds/inhibitors. In particular, the activity of NusA may be decreased or abolished by reducing/blocking the binding of NusA to RNA polymerase (via its N terminal domain) or by reducing/blocking the binding of NusA to RNA (via the SI, KH1 and KH2 components of the C terminal domain) .

The crystal structure information presented herein is useful in designing potential NusA binding agents, which may be useful as anti-termination disruptors, blockers or inhibitors in mycobacteria, and modelling them or their potential interaction with binding sites on NusA.

Determination of the 3D structure of M. tuberculosis NusA provides important information about the binding regions and sites of M. tuberculosis NusA, particularly when comparisons are made with NusA molecules from other species such as E. coli . This information may then be used for rational design of NusA binding agents, e.g. by computational techniques which identify possible binding ligands for the binding sites, by enabling linked-fragment approaches to drug design, and by enabling the identification and location of bound ligands using X-ray crystallographic analysis. These techniques are discussed in more detail below. Suitable ligands may include RNA or mimetics or analogues thereof .

In particular, the crystal structure highlights the importance of the N terminal domain, the SI and KHl/2 domains and the flexible linker between the N terminal and the main body of the protein in the NusA activity.

Greer et al . , J. of Medicinal Chemistry, Vol. 37, (1994), 1035-1054 describes an iterative approach to ligand design based on repeated sequences of computer modelling, protein- ligand complex formation and X-ray crystallographic or. NMR spectroscopic analysis. Novel thymidylate synthase inhibitor series were designed de novo by Greer et al . , and NusA inhibitors may also be designed in the same way. More specifically, using e.g. GRID (see below) on the solved 3D structure of NusA or the 3D structure of particular domains or regions of NusA, a ligand (e.g. a potential inhibitor) for NusA may be designed that complements the functionalities of a NusA binding site(s) . The ligand can then be synthesised, formed into a complex with NusA or a fragment thereof, and the complex then analysed by X-ray crystallography to identify the actual position of the bound ligand. The structure and/or functional groups of the ligand can then be adjusted, if necessary, in view of the results of the X-ray analysis, and the synthesis and analysis sequence repeated until an optimised ligand is obtained.

Related approaches to structure-based drug design are also discussed in Bohacek et al . , Medicinal Research Reviews, Vol.16, (1996) , 3-50.

As a result of the determination of the NusA 3D structure, more purely computational techniques for rational drug design may be brought to bear to design NusA ligands which are useful in modulating e.g. blocking, disrupting or inhibiting rrn anti-termination (for- an overview of these techniques see e.g. Walters et al . , Drug Discovery Today, Vol.3, No.4, (1998), 160-178). For example, automated ligand-receptor docking programs (discussed e.g. by Jones et al . in Current Opinion in Biotechnology, Vol.6, (1995), 652- 656) which require accurate information on the atomic coordinates of target receptors may be used to design potential NusA inhibitors or blockers .

Linked-fragment approaches to drug design also require accurate information on the atomic coordinates of target molecules. The basic concept underlying these approaches is to determine (either computationally or experimentally) the binding locations of plural ligands to a target molecule, and then construct a molecular scaffold to connect the ligands together in such a way that their relative binding positions are preserved. The connected ligands thus form a potential lead compound that can be further refined using e.g. the iterative technique of Greer et al . For a virtual linked-fragment approach see Verlinde et al., J. of Computer-Aided Molecular Design, 6, (1992) , 131-147, and for NMR and X-ray approaches see Shuker et al . , Science, 274, (1996), 1531-1534 and Stout et al . , Structure, 6, (1998), 839-848. The use of such approaches to design NusA inhibitors is made possible by the determination of the NusA structure .

Many of the techniques and approaches to structure-based drug design described above rely at some stage on X-ray analysis to identify the binding position of a ligand in a ligand-protein complex. A common way of doing this is to perform X-ray crystallography on the complex, produce a difference Fourier electron density map, and associate a particular pattern of electron density with the ligand. However, in order to produce the map (as explained e.g. by Blundell et al . ) it is necessary to know beforehand the protein 3D structure (or at least the protein structure factors) . Therefore, determination of the M. tuberculosis NusA structure and the identification of important interaction domains and sites also allows difference Fourier electron density maps of NusA-ligand complexes to be produced, which can greatly assist the process of rational drug design.

The approaches to structure-based drug design described above all require initial identification of possible compounds for interaction with target bio-molecule (in this case, M. tuberculosis NusA) . Sometimes these compounds are known e.g. from the research literature. However, when they are not, or when novel compounds are wanted, a first stage of the drug design program may involve computer-based in silico screening of compound databases (such as the

Cambridge Structural Database) with the aim of identifying compounds which interact with the binding site or sites of the target bio-molecule. Screening selection criteria may be based on pharmacokinetic properties such as metabolic stability and toxicity. However, determination of the M. tuberculosis NusA structure allows the architecture and chemical nature of potentially important binding sites within the N terminus, flexible linker and Sl/KHl domains to be identified, which in turn allows the geometric and functional constraints of a descriptor for the potential inhibitor to be derived. The descriptor is, therefore, a type of virtual 3-D pharmacophore, which can also be used as selection criteria or filter for database screening.

Potential ligands may be brought into contact with NusA or a fragment or portion thereof to test for ability to interact with a NusA binding site or cavity, which may, for example, be the flexible linker or within the N terminus or S1/KH1/KH2 domains. Actual modulators of rrn anti- termination may be identified from among potential inhibitors synthesized following design and model work performed in silico . Potential modulators may be screened for ability to disrupt or inhibit the interaction between NusA and other components of the rrn anti -termination complex (i.e. NusB, NusE, NusG), the interaction between NύsA and the RNA polymerase and/or the interaction between NusA and RNA. An agent or modulator which blocks, disrupts or inhibits the anti-termination of transcription may increase, enhance or stimulate the premature termination of transcription and thereby disrupt the transcription of the rrn operon in mycobacteria.

A modulator identified using the present invention may be formulated into a composition, for instance a composition comprising a pharmaceutically acceptable excipient, and may be used in the manufacture, production or preparation of a medicament for use in a method of treatment, for example the treatment of a mycobacterial infection, such as an M. tuberculosis infection (tuberculosis) or an M. leprae infection (leprosy) . These and other aspects and embodiments of the present invention are discussed below.

An aspect of the present invention provides a method of identifying a candidate modulator compound which disrupts the anti-termination of transcription in mycobacteria, for example reducing or preventing complete transcription of the rRNA (rrn) operons; the method comprising; i) introducing into a computer system information derived from atomic coordinates which define a structural conformation of a M. tuberculosis NusA molecule based on three dimensional structure determination, said conformation comprising a binding site formed by the interaction of groups of residues as described here, for example residues 1-99, 108-184, 186-281, 285-328 and/or 108-328 of the M. tuberculosis NusA sequence, wherein said system utilises or displays the three dimensional structure thereof, ii) generating a three dimensional representation of said binding site of said molecule in said computer system, iii) superimposing a model of the inhibitor test compound on the model of the binding site of said NusA, iv) assessing whether said test compound model fits spatially into the binding site of said NusA, v) incorporating said test compound in an assay method for a determining the binding of said NusA molecule to RNA or RNA polymerase or an assay method for determining the activity of a mycobacterial rrn anti-termination complex, vi) determining whether said test compound inhibits NusA binding activity or mycobacterial rrn anti-termination activity in said assay. In another aspect, the invention provides a method of analysing a NusA-ligand complex comprising the step of employing (i) X-ray crystallographic diffraction data from a NusA-ligand complex and (ii) a three-dimensional structure of NusA to generate a difference Fourier electron density map of the complex, the three-dimensional structure being defined by atomic coordinate data according to Table 2.

The three dimensional structure of a domain or region of NusA may be used in such methods . Such a structure may be based on the atomic coordinate data of the residues within the domain as shown in Table 2. Suitable domains or regions include the N terminal domain which consists of residues 1- 99, the SI domain which consists of residues 108-184, the KH1 domain which consists of residues 186-281 and the KH2 domain which consists of residues 285-328, or parts or portions these domains. A structure may also be based on the atomic coordinate data of the SI, KH1 and KH2 domains (residues 108-328) or portions thereof, which include one or more of these domains .

No electron density is observed for the linker, region of residues 100-107. This indicates that this region is flexible in conformation. This flexibility is important in facilitating binding of the N terminal domain to RNA polymerase (RNAP) . Proteolytic cleavage at the linker region, for example using a proteolytic enzyme or abzyme, may therefore be used to inhibit the activity of NusA. Similarly, agents which stabilise the conformation of the linker region and prevent relative movement of the N and C terminal domains may be used to inhibit the activity of NusA. NusA-ligand complexes can be crystallised and analysed using X-ray diffraction methods, e.g. according to the approach described by Greer et al . , J. of Medicinal Chemistry, Vol. 37, (1994), 1035-1054, and difference Fourier electron density maps can be calculated based on X-ray diffraction patterns of soaked or co-crystallised NusA and the solved structure of uncomplexed NusA. These maps can then be used to determine whether and where a particular ligand binds to NusA and/or changes in the conformation of NusA.

Electron density maps can be calculated using programs such as those from the CCP4 computing package (Collaborative Computational Project 4. The CCP4 Suite: Programs for Protein Crystallography, Acta Crystallographica, D50, (1994), 760-763.). For map visualisation and model building, programs such as 0 (Jones et al . , Acta Crystal lograhy, A47, (1991) , 110-119) can be used.

In another aspect, the present invention provides a method for identifying an agent compound .(e.g. an inhibitor) which modulates the activity of the Mycobacterial rrn anti- termination complex, comprising the steps of:

(a) providing the structure of NusA as defined by the coordinates in Table 2; (b) providing the structure of a test compound;

(c) fitting the test compound to the structure; and,

(d) selecting the test compound.

A test may disrupt the protein-protein interactions within the Nus complex, for example between NusA and NusB, NusC, NusG or NusE, interactions between NusA and RNA and/or interactions between NusA and RNA polymerase. Preferably, the structure comprises atomic coordinates which define a NusA binding region or binding cavity. Such a binding region may be within the N terminal region, flexible linker, SI, KH1 or KH2 domains of NusA.

A plurality of spaced NusA binding sites may be characterised and a plurality of respective compounds designed or selected. The agent compound may then be formed by linking the respective compounds into a larger compound, which maintains the relative positions and orientations of the respective compounds at the binding sites. The larger compound may be formed as a real molecule or by computer modelling.

In any event, the determination of the three-dimensional structure of NusA provides a basis for the identification of new and specific ligands for NusA e.g. by computer modelling.

More specifically, a potential modulator of Nus anti- termination activity can be examined through the use of computer modelling using a docking program such as GRAM, DOCK, or AUTODOCK (see Walters et al . , Drug Discovery Today, Vol.3, No.4, (1998), 160-178, and Dunbrack et al . , Folding and Design, 2 , (1997), 27-42) . This procedure can include computer fitting of candidate inhibitors to NusA to ascertain how well the shape and the chemical structure of the candidate inhibitor will bind to the protein.

Also computer-assisted, manual examination of the binding region and cavity structure of NusA may be performed. The use of programs such as GRID (Goodford, J^". Med. Chem. , 28, (1985), 849-857) - a program that determines probable interaction sites between molecules with various functional groups and the enzyme surface - may also be used to analyse the binding regions and cavities to predict partial structures of inhibiting compounds.

Computer programs can be employed to estimate the attraction, repulsion, and steric hindrance of the two binding partners (e.g. the NusA and a candidate inhibitor) . Generally the tighter the fit, the fewer the steric hindrances, and the greater the attractive forces, the more potent the potential modulator since these properties are consistent with a tighter binding constant. Furthermore, the more specificity in the design of a potential drug, the more likely it is that the drug will not interact with other proteins as well. This will tend to minimise potential side-effects due to unwanted interactions with other proteins .

In another aspect, a method of the invention may utilise the coordinates of atoms of interest of NusA which are in the vicinity of a binding region, for example an RNA polymerase, or RNA binding region, in order to model the site at which binding i.e. RNA polymerase or RNA binding occurs. These- coordinates may be used to define a space which is then screened "in silico" against a candidate inhibitor molecule.

Thus, the invention provides a computer-based method of rational drug design which comprises: providing the coordinates of at least one atom of Table 2 of M. tuberculosis NusA; providing the structure of a candidate ligand or binding molecule; and, fitting the structure of candidate to the coordinates of the

NusA provided. In practice, it will be desirable to model a sufficient number of atoms of NusA as defined by the coordinates of Table 2 which represent a binding site or region. Binding sites and other features of the interaction of RNA and RNA polymerase with NusA are described in the accompanying examples. Thus, in this embodiment of the invention, there will preferably be provided the coordinates of at least 5, preferably at least 10, more preferably at least 50 and even more preferably at least 100 atoms such as at least 500 atoms and most preferably at least 1,000 atoms of NusA.

For example, the atomic coordinates of one or more of the following residues may be used to define an rrn RNA binding - site; R110, R121, R124, R128, R134, R162, R164, R172, R175, R190, R224, R242 , R244, R266, R288, R291, R311, R315, R320, R324, -R341 and R347. Atomic coordinates of the following residues may also be used; R183, E196, R213, H216, K219, G237, P238, M239, G240, K254, Q308 and K305. The atomic coordinates of the residues of the KH2 domain (residues P264 through to P328) may also be used.

Similarly, the atomic coordinates of one or more of the following residues may be used to define an RNA polymerase binding site; H9 , R15, K27, R35, H36, H40, R45, R50, K51, R56, R60, R81, R88, R94 and R96.

In another aspect, the method of the invention may utilise a sub-domain of interest of NusA, which is in the vicinity of a binding region. Thus, the invention provides a computer- based method of rational drug design which comprises: providing the coordinates of at least a sub-domain of NusA; providing the structure of a candidate inhibitor molecule; fitting the structure of the candidate to the coordinates of the NusA sub-domain.

Sub-domains of NusA, which include the N terminal (residues 1 to 99) , and Sl/KHl domains (residues 108-328) are described herein.

In a further aspect , the accompanying examples and drawings show the specific regions of interaction of NusA with RNA and RNA polymerase. These data may be used to design ligands which interact with at least one of the sites of interaction of each molecule, and preferably at least 50% of the sites of interaction identified for each molecule.

Such ligands may be designed by providing atomic coordinate data for at least one of the following nucleic acid or amino acid residues or groups of residues of NusA: Group I: N terminal residues 1-99 Group II: linker residues 100-107 Group III: SI residues 108-184 Group IV: KH1 residues 186-281 Group V: KH2 residues 285-328, providing a potential ligand, and; fitting said ligand to the NusA to determine the interaction of the ligand with at least one chemical group present in the nucleic acid or amino acid residue of the selected group.

Preferably at least half the members of each group are used, and more preferably from half to t members of each group are used, where t represents a number which is more than half and at least T, preferably T-l and more preferably T-2 where T is the total number of members of each group, subject to the requirement that t is greater than T/2.

In some embodiments, the residues of the GPMG motif of KH1 (residues 236-239) or the GKEG motif of KH2 (residues 303- 306) may be employed.

Other residues which may be employed are described elsewhere herein.

In another aspect, in place of in silico methods, high throughput screening of compounds to select compounds with

NusA binding activity, in particular binding activity to the N terminal, linker, SI, KH1 or KH2 domains, may be undertaken, and those compounds which show binding activity may be selected as possible candidate inhibitors, and further crystallized with NusA or NusA fragments (e.g. by co-crystallization or by soaking) for x-ray analysis. The resulting x-ray structure may be compared with that of Table 2 for a variety of purposes.

In one embodiment, a plurality of test compounds are screened or interrogated for interaction with the sites of interest within NusA (i.e. the N terminal, linker, KH1, KH2 domains) . In one example, step (b) involves providing the structures of the test compounds, each of which is then fitted in step (c) to computationally screen a database of compounds (such as the Cambridge Structural Database) for interaction with the binding sites. In another example, a 3-D descriptor for the agent compound is derived, the descriptor including e.g. geometric and functional constraints derived from the architecture and chemical nature of the binding cavity. The descriptor may then be used to interrogate the compound database, the identified agent compound being the compound which matches with the features of the descriptor. In effect, the descriptor is a type of virtual pharmacophore .

Having designed or selected possible binding partners, these can then be screened for activity. Consequently, the method preferably comprises the further step of: obtaining or synthesising the test compound.

A test compound may be contacted with NusA or a fragment thereof to determine the ability of the test compound to interact with NusA or the fragment .

A suitable fragment may comprise or consist of residues 1- 99, residues 100-107, residues 108-184, residues 186-281 or residues 285-328 of the NusA sequence.

A test compound may be contacted with NusA or a fragment thereof in the presence of RNA, for example mycobacterial rRNA, mycobacterial RNA polymerase or another component of the mycobacterial rrn anti-termination complex (e.g. NusB, NusE, Nus E and NusG) in order to determine the ability of the test compound tb block the interaction of NusA with one or more of these molecules. For example, an assay mixture for NusA may be produced which comprises the candidate inhibitor and one or more other components of the

Mycobacterial rrn anti-termination complex. Assay methods are further discussed below.

Instead of, or in addition to, performing e.g. a chemical assay, the method may comprise the further steps of: forming a complex of NusA or a NusA fragment and the test compound; and, analysing (e.g. by the method of an earlier aspect of the invention) said complex by X-ray crystallography or NMR spectroscopy to determine the ability of the test compound to interact with NusA.

Detailed structural information can then be obtained about the binding of the agent compound to NusA, and in the light of this information adjustments can be made to the structure or functionality of the compound, e.g. to improve binding, to the binding cavity. The steps above may be repeated and re- repeated as necessary. For X-ray crystallographic analysis, the complex may be formed by crystal soaking or co- crystallisation.

Another aspect of the present invention provides an assay method for an agent with ability to modulate, e.g. disrupt, interfere with, or increase interaction and/or binding of an rrn nucleic acid with a NusA polypeptide, the method including:

(a) bringing into contact a NusA polypeptide and an rrn nucleic acid in the presence of a test compound; and, (b) determining binding and/or interaction between the rrn nucleic acid and the NusA polypeptide.

An assay may be carried out under conditions in which, in the absence of the test compound being an inhibitor, the NusA polypeptide will interact or bind with the rrn nucleic acid.

A rrn nucleic acid may be an rrnA leader sequence, more preferably a. truncated leader sequence. The rrn nucleic acid sequence is single stranded and may be an RNA molecule.

A suitable rrn nucleic acid may comprise or consist of residues; CTGGCAGGGTCGCCCCGAAGCGGGCGGAAACAAGCAAGCGTGTTGTTTGAGAACTCAATA GTGTGTTTGGTGGTTTCACATTTTTGTTGTTATTTTTGGCCATGCTCTTGAT

Other suitable rrn nucleic acids may comprise or consist of fragments or portions of this sequence.

A particularly preferred rrn nucleic acid may comprise or consist of residues 20 to 63 of the rrn leader region which have the nucleotide sequence; AAACAAGCAAGCGTGTTGTTTGAGAACTCAATAGTGTGTTTGGT

Other suitable rrn nucleic acids may comprise or consist of a variant of the above sequence. A variant may have at least 50% sequence identity with the above sequence, preferably at least 60%, at least 70%, at least 80% at least 90% or at least 95% sequence identity. A variant may differ from the wild-type sequence by one or more of addition, substitution, or deletion of one or more nucleotides. In some preferred embodiments, a rrn nucleic acid may comprise one or more of bases C27, G37, C48, G55 and G57 of the rrn sequence.

Sequence identity is commonly defined with reference to the algorithm GAP (Wisconsin Package, Accerlys, San Diego CA) . GAP uses the Needleman and Wunsch algorithm to align two complete sequences that maximizes the number of matches and minimizes the number of gaps. Generally, the default parameters are used, with a gap creation penalty = 12 and gap extension penalty = 4.

Use of GAP may be preferred but other algorithms may be used, e.g. BLAST (which uses the method of Altschul et al . (1990) J^". Mol . Biol . 215: 405-410), FASTA (which uses the method of Pearson and Lipman (1988)_. PNAS USA 85: 2444-2448), or the Smith-Waterman algorithm (Smith and Waterman (1981) J. Mol Biol . 147 : 195-197), or the TBLASTN program, of Altschul et al . (1990) supra, generally employing default parameters. In particular, the psi-Blast algorithm (Nucl . Acids Res. (1997) 25 3389-3402) may be used.

The NusA polypeptide may be a full length NusA polypeptide or a fragment thereof, for example a fragment comprising one or more of the SI, KH1 and KH2 domains or an RNA binding portion thereof. Any Eubacterial NusA polypeptide may be used, for example E. coli NusA. In some preferred embodiments, the NusA polypeptide is a Mycobacterial NusA, for example M. tuberculosis NusA.

Any of a range of conventional approaches for determining the interaction between NusA and other molecules, such as RNAP or rrn nucleic acid, may be employed and the precise format of the assay of the invention may be varied by those of skill in the art using routine skill and knowledge. For example, the interaction may be studied in vi tro by labelling one with a detectable label and bringing it into contact with the other which has been immobilised on a solid support. Electrophoretic mobility shifts may also be used be used to distinguish the bound NusA polypeptide/rrn nucleic acid complex from the unbound components.

The protein or nucleic acid may be immobilised on a solid support using an antibody against that protein or nucleic acid which is bound to a solid support or via other technologies which are known per se . A preferred in vi tro interaction may utilise a fusion protein including glutathione-S-transferase (GST) . This may be immobilised on glutathione agarose beads. In an in vi tro assay format of the type described above, a test compound can be assayed by determining its ability to diminish the amount of labelled peptide, polypeptide or nucleic acid which binds to the immobilised GST-fusion polypeptide. This may be determined by fractionating the glutathione-agarose beads by SDS- polyacrylamide gel electrophoresis . Alternatively, the beads may be rinsed to remove unbound protein and nucleic acid. The amount of protein or nucleic acid which has bound can be determined by counting the amount of label present in, for example, a suitable scintillation counter.

A test compound identified as a modulator may be analysed in accordance with the methods described herein and modified to optimise its interaction with NusA.

For example, a method may comprise the further steps of: obtaining or synthesising the test compound; forming a complex of NusA or a NusA fragment and the test compound; and, analysing (e.g. by the method of an earlier aspect of the invention) said complex by X-ray crystallography or NMR spectroscopy to determine the ability of the test compound to interact with NusA.

In another aspect, the invention includes a compound which is identified as a modulator of NusA activity, and thereby rrn anti-termination, by any one of the methods described herein.

Following identification of an inhibitor compound, it may be synthesised, manufactured and/or used in the preparation, i.e. manufacture or formulation, of a composition such as a medicament, pharmaceutical composition or drug, for example by admixing with a pharmaceutically acceptable excipient. These may be administered to individuals.

Thus, the present invention extends in various aspects not only to an inhibitor as provided by the invention, but also a pharmaceutical composition, medicament, drug or other composition comprising such an inhibitor e.g. for treatment (which may include preventative treatment) of disease such as mycobacterial infection, in particular an M. tuberculosis infection such as tuberculosis or an M. leprae infection such as leprosy; a method comprising administration of such a composition to a patient, e.g. for treatment of disease such as mycobacterial infection; use of such an inhibitor in the manufacture of a composition for administration, e.g. for treatment of disease such as mycobacterial infection; and a method of making a pharmaceutical composition ^' comprising admixing such an inhibitor with a pharmaceutically acceptable excipient, vehicle or carrier, and optionally other ingredients.

Other aspects of the invention relate to methods of determining the three dimensional structure of a NusA homologue of unknown structure by utilising the structural coordinates of Table 2.

For example, if X-ray crystallographic or NMR spectroscopic data is provided for a NusA homologue of unknown structure, the structure of NusA as defined by Table 2 may be used to interpret that data to provide a likely structure for the NusA homologue by techniques which are well known in the art, e.g. phase modelling in the case of X-ray crystallography .

One embodiment of the method comprises the steps of: (a) aligning a representation of an amino acid sequence of a NusA homologue of unknown structure with the amino acid sequence of M. tuberculosis NusA to match homologous regions of the amino acid sequences; (b) modelling the structure of the matched homologous regions of the homologue of unknown structure on the structure as defined by Table 2 of the corresponding regions of NusA; and (c) determining a conformation (e.g. so^' that favourable ^• interactions are formed within the homologue of unknown structure and/or so that a low energy conformation is formed) for the homologue of unknown structure which substantially preserves the structure of said matched homologous regions .

The term "homologous regions" describes amino acid residues in two sequences that are identical or have similar (e.g. aliphatic, aromatic, polar, negatively charged, or positively charged) side-chain chemical groups. Identical and similar residues in homologous regions are sometimes described as being respectively "invariant" and "conserved" by those skilled in the art.

One or all of steps (a) to (c) may be performed by computer modelling.

Homology modelling is a technique that is well known to those skilled in the _.art_. (see e.g. Greer,^' Science, Vol. 228, (1985), 1055, and Blundell et al . , . Eur. J. Biochem, Vol. 172, (1988) , 513) .

In general, comparison of amino acid sequences is accomplished by aligning the amino acid sequence of a polypeptide of a known structure with the amino acid sequence of the polypeptide of unknown structure. Amino acids in the sequences are then compared and groups of amino acids that are homologous are grouped together. This method detects conserved regions of the polypeptides and accounts for amino acid insertions or deletions.

Homology between amino acid sequences can be determined using commercially available algorithms. The programs BLAST, gapped BLAST, BLASTN and PS I -BLAST (provided by the National Center for Biotechnology Information) are widely used in the art for this purpose, and can align homologous regions of two amino acid sequences .

Once the amino acid sequences of the polypeptides with known and unknown structures are aligned, the structures of the conserved amino acids in a computer representation of the polypeptide with known structure are transferred to the corresponding amino acids of the polypeptide whose structure is unknown. For example, a tyrosine in the amino acid sequence of known structure may be replaced by a phenylalanine, the corresponding homologous amino acid in the amino acid sequence of unknown structure.

The structures of amino acids located in non-conserved regions may be assigned manually by using standard peptide geometries or by molecular simulation techniques, such as molecular dynamics . The final step in the process is accomplished by refining the entire structure using molecular dynamics and/or energy minimization.

In another aspect, the present invention provides a system, particularly a computer system, intended to generate structures and/or perform rational drug design for M. tuberculosis NusA, M. tuberculosis NusA-ligand complexes or M. tuberculosis NusA homologues, the system containing either (a) atomic coordinate data according to Table 2, said data defining the three-dimensional structure of NusA, or (b) structure factor data for NusA, said structure factor data being derivable or obtainable from the atomic coordinate data of Table 2.

In another aspect, the present invention provides computer readable media with either (a) atomic coordinate data according to Table 2 recorded thereon, said data defining the three-dimensional structure of NusA, or (b) structure factor data for NusA recorded thereon, the structure factor data being derivable from the atomic coordinate data of Table 2.

By providing such computer readable media, the atomic coordinate data can be routinely accessed to model NusA. For example, RASMOL (Sayle et al . , TIBS, Vol. 20, (1995), 374) is a publicly available computer software package which allows access and analysis of atomic coordinate data for structure determination and/or rational drug design.

On the other hand, structure factor data, which are derivable from atomic coordinate data (see e.g. Blundell et al . , in Protein Crystallography, Academic Press, New York, London and San ^'Francisco, (1976) ) , are particularly useful for calculating e.g. difference Fourier electron density maps .

While the invention has been described in conjunction with the exemplary embodiments described above, many equivalent modifications and variations will be apparent to those skilled in the art when given this disclosure. Accordingly, the exemplary embodiments of the invention set forth are considered to be illustrative and not limiting. Various changes to the described embodiments may be made without departing from the spirit and scope of the invention. All references in the above text and listed below are incorporated by reference .

Figure 1 shows a stereo view of the Cα positions of one molecule of NusA. The N and C terminal domains are shown as they occur in the crystal; the linker between them is not ordered. The distance between the Glu-99 of the N domain and Ser-108 of the C domain is 15.4 A. Every 20^th residue is numbered.

Figure 2 shows a ribbon representation of the NusA molecule in two perpendicular orientations. The alpha helices and strands are labelled according to the order in which they occur in the sequence. NusA can be regarded as being made up of two components, an N terminal domain with a α₃β₃ structure (comprising helices HI to H3 and strands SI to S3) linked to the C-terminal module which has a Sl-like region (five stranded beta-barrel S4-S8, with a turn of a 3₁₀ helix H4) followed by two K homology domains, also with α₃β₃ structure, KH1(H6-H8, S9-S11) and KH2 (H9-H11, S12-S14) .

Figure 3 shows that M. tuberculosis NusA is an elongated monomer through analytical ultracentrifugation. Runs were carried out at 20°C as described below. The absorbance profile at 280 n is shown after reaching equilibrium at 35,000 rpm. The fitted line is for a molecular weight of 42.1 ± 1.3 kDa with an assumption of an ideal solution.

Figure 4 shows a sequence comparison of NusA homologues. The secondary structure derived from M. tuberculosis NusA is shown under the sequence . The shaded regions refer to different structural motifs and are maintained in the structures shown in figure 4.

Table 1 shows the data analysis of the NusA crystal structure.

Table 2 shows the atomic coordinates of the NusA crystal structure.

EXPERIMENTAL Materials and Methods Cloning, Expression and Purification The gene corresponding to the NusA protein of M. tuberculosis was PCR amplified using the following primers: Ndel-NusA, CTCTATTTATCATATGAACATCGACATGGCTGCTCTG; BamHI- NusA, TTATGGATCCGCCCGATTGCCCGGCTATCT . This was ligated into the pET15b expression vector between the Ndel and the BamHI sites, the corresponding sites in the insert having been introduced by the two primers.

The plasmid was transformed into the E. coli strain BL21 (DE3) PlysS (Novagen Inc). The cells were initially grown in Terrific Broth at 310 K and were induced with IPTG when the culture density reached A600 ; 0.8. They were grown for another 6 h at 298 K before harvesting. The cells were lysed in lysis buffer (50 mM phosphate buffer pH 7.5 containing 250 mM NaCl) .

As the protein seemed to be very susceptible to proteolysis, two protease inhibitor cocktail tablets (Complete, EDTA- free, Roche) were added every 2 h through the initial stages. The first step of purification utilizing the His tag in the N terminus was performed using metalaffinity chromatography with TALON resin (Clontech Inc) . The protein was bound at pH 7.5, washed with the same buffer containing 5 M imidazole and eluted using 300 M' imidazole . We eluted the protein in a single step as opposed to a gradient, as 5 this substantially reduced the time frame involved and the protein was less likely to be proteolytically degraded. The protein was further purified using size-exclusion chromatography on a Superdex S-75^' column (Pharmacia Inc) equilibrated in 50 mM sodium phosphate pH 7.5, 200 mM NaCl. 10 The protein eluted as a single peak at an elution volume corresponding to a molecular weight of 65 kDa.

The purity of the protein was analyzed by SDS-PAGE on a 10% NuPAGE bis-tris gel with MES-SDS running buffer L5 (Invitrogen) . The protein solution was -concentrated by ultrafiltration using a Centricon-10 microconcentrator (Amicon Inc.) to a final concentration of 8 mg ml-1. Protein concentration was estimated by measuring the absorbance at 280 nm employing the extinction coefficient 17780 M-l cm^-1

20

Analytical Ultra-centrifugation

Equilibrium ultracentrifugation was carried out at 20°C using a Beckman XLA ultracentrifuge equipped with absorption optics. The effective molecular weight was determined from

25 data acquired at three different protein concentrations

(absorbances at 280 nm of 1, 0.5 and 0.25 corresponding to loading concentrations of 27, 13.5 and 6.75 μM, respectively) and four rotor speeds (9000, 15000, 2000.0 and 35000 rpm) . The absorbance data were analysed (McRorie, D. i O K. & Voelker, P. J. Self-associating systems in the analytical ultracentrifuge (Beckman Instruments Inc, Fullerton, California, ; 1993) ) individually as an ideal monomer, an ideal dimer, and globally using all the data, using Origin (Origin, Inc, CA) software.

Dynamic Light Scattering Dynamic light scattering data, to obtain estimates of the stokes radius of the molecule, were measured on a Dynapro 801 instrument (Protein Solutions Inc) . All measurements were carried out in phosphate buffer, pH 7.5 containing 20-0 mM NaCl at 20°C. The data were fitted using the DYNAMICS software.

Crystallography

Crystallization trials were carried out using both the automated microbatch technique and the vapour diffusion method. Various commercially available screens were used in addition to in-house screens. Microbatch droplets (0.5 μl screen solution plus 0.5 μl protein solution) were dispensed under paraffin oil using a computer-controlled micro dispenser IMPAX (Douglas Instruments) . The hanging drops consisted of 1 μl of the protein solution at a concentration of 8 mg ml^-1 plus 1 μl of the reservoir solution equilibrated against 750 μl of the reservoir solution at 291 K.

Crystals of NusA were obtained using either vapour diffusion or the microbatch technique in conditions containing ammonium sulfate as precipitant over the pH range 6-7. Lithium or magnesium sulfate could be substituted for the ammonium salt. The hanging-drop method using 1.1 M ammonium sulfate and 0.1 M MES pH 6.1 as the reservoir solution yielded crystals suitable for X-ray diffraction. The crystals were removed from the drop with a mounted loop and were transferred through a series of cryoprotectant solutions of increasing glycerol concentration (5-35%) before they were frozen. All these manipulations were carried out using a humidifier to prevent evaporation.

Crystals belong to space-group P3₂21 (a=b=89.0 A,c=180.2 A) and contain two NusA molecules per asymmetric unit with a .solvent content of 56 %. The data collection, phasing and refinement statistics are reported in Table 1. Phase information was derived from a two wavelength Hg SAD experiment, using a NusA crystal soaked in 10 mM HgCl₂ for 12 hrs . Data were collected to 3A spacing on a Quantum ADSC (Area Detector Systems Corporation) CCD detector at the ESRF, Grenoble on beamline ID14-EH4 and integrated and scaled using the HKL suite of processing software (Otinowski, Z. & Minor, W. Methods Enzymol . 276, 307-326 (1996)) . X-ray energies for the optimal anomalous (f") and dispersive (f ) maxima were selected from a fluorescence emission scan of the crystal. Mercury positions for each of the two NusA molecules in the asymmetric unit were located using the program SOLVE (Terwilliger, T. C. & Berendzen, J. Acta Crystallogr D55, 849-861 (1999)) and phases calculated using SHARP (La Fortelle, E. de & Bricogne, G. Methods Enzymol . 276, 472-494. (1997)).

Further phase refinement and extension was done using the program DM (Cowtan, K. Joint CCP4 and ESF-EACBM newsletter on protein crystallography 31, 33-38. (1994)) followed by warp (Perrakis, A. et al Acta Crystallogr D53, 448-455. (1997) , Murshudov, G.N. et al Acta Cryststallogr D53, 240- 255. (1997)) to 2.3 A resolution. The automated program arp-warp was then employed to phase extend and auto build the model to 1.7 A resolution (Table 2) . Manual building of the model was carried out using 0 (Jones, T. A. et al . Acta Crystallogr A47 , 110-119. (1991)). The final model consists of 220 residues of molecule A, 325 residues of molecule B and 560 water molecules with excellent stereochemistry . Residues 1- 107 of one molecule , the linking segment ( 100 -107 ) and the last 18 residues of the protein are disordered . Pro 329 is the last ordered residue in both molecules .

In vi tro Transcription of RNA probes The probes for the RNA gel shifts corresponded roughly to

PCL 1 generated transcripts ending at +104 or + 219 . The region was PCR amplified with primers F30406 and F3677 or F13396 and the resulting fragments were digested with Hindlll and cloned into pGEM3Zf . These templates were linearized with Xbal and used in an in vi tro transcription reaction using : 0 . 5 μg template , 2 μl 10 x SP6 transcription buf fer, 4μl 3 NTP mix (2 mM each) , lμl UTP (300μM) . 50 μCi ' α-³²P-UTP ( 2 . 5 μl ) . 1 μl RNasin (Promega) , 1 μl SP6 RNA polymerase (Roche) . The reaction mix was incubated at 37°C for 30 to 60 minutes . Template DNA was removed by incubating with 10 u DNasel (Roche RNase- free) for 15 minutes , and the probes were purified using RNeasy spin columns (QIAGEN) . The radioactivity of each sample was determined by scintillation counting . Using the obtained activity and the known specific activity of the UTP in the transcription reaction, an estimated concentration of each probe was calculated .

Electrophoretic Mobility Shift Assays

The RNA binding reactions were incubated at room temperature in 20 μl 1 x RNA-EMSA buffer with the indicated amounts of protein . 1/5 volume of glycerol loading buffer without dye was added prior to loading onto a native 8% acrylamide/ 1 x TBE gel. The gels were run at 35mA for 2.5 hrs in 1 x TBE, dried and exposed to autoradiography or phosphor imaging. (2 x RNA-EMSA buffer: 40 mM HEPES pH 7.5 , 0.4 mM EDTA, 20 mM (NH₄)₂S0₄ ,2 mM DTT, 30 mM MgCl₂, 400 mM KC1,4 μg/ml tRNA(Roche), 100 μg/ml BSA (Pierce), 0.5% Triton x-100™ (Sigma) ) .

Preparation of mutated NusAs

Mutants were created by site directed mutagenesis using the Quickchange kit from Stratagene. Briefly, two complementary primers harbouring the desired mutation were included in a PCR reaction with the wild type pET-NusA construct. After digestion of template plasmid the DNA was transformed into E. coli DH5α. The resulting plasmids were subsequently transformed into E. coli BL21 and the protein purified as described for the wild type protein.

The primers used, with the mutated residues shown in bold;

For R183A: GCTGATTACGCTGTCGGCCACGCACCCCAATCTGG and_.

CCAGATTGGGGTGCGTGGCCGACAGCGTAATCAGC

For E196K: GCTGTTCTCGCTGAAAGTCCCCGAGATCG and CGATCTCGGGGACTTTCAGCGAGAACAGC

For ΔKH2: CGACTATGACGACGATTAGGCGCGTTTTGTCGCC and GGCGACAAAACGCGCCTAATCGTCGTCATAGTCG

Preparation of RNA probes for structural analysis

The leader fragment spanning nt 1-63 was cloned into a vector where it was flanked by self-splicing ribozyme moieties, which after in vitro transcription and splicing results in a transcript with 5' OH and without vector sequences (Price et. al . 1995). The RNA species are separated on a 15% sequence gel and the desired RNA is purified from the gel and subsequently labelled using 33P- γATP and T4 Polynucleotide kinase. Due to degradation in the labelling reaction, a second purification step, analogous to the first, is required to obtain a single RNA species. The RNA is diluted to 100 000 cpm/μl and incubated with various chemicals or enzymes to probe structure.

Lead acetate probing for ss RNA

The following components were mixed in a reaction vessel;

2μl 5x buffer (lOOmM HEPES pH 7.5; 25mM MgAcetate; 250mM KAcetate) lμl 33P-RNA 4μl water lμl tRNA (lOmg/ml)

The reaction was incubated at room temperature for five minutes. 2μl PbAcetate (5, 10 or 20mM stock) was added and the reaction incubated for another five minutes at RT.

Reactions were stopped by adding 5μl 0.1M EDTA, 1.5μl 3M NaAcetate, 50μl ethanol. The reactions were then incubated at -20 C, spun and the pellet washed with 96% ethanol, dried and resuspended in 5μl formamide loading buffer before electrophoresis on a 15% acrylamide sequence gel.

Imidazole probing for ss RNA 2μl 33P-RNA was mixed with with lμl tRNA (lOmg/ml) and dried for 30 minutes in a dessicator. The RNA was then resuspended in lOμl Imidazole buffer (2M Imidazole pH 7; 40mM NaCl; lOmM MgCl₂; lmM EDTA) and incubated at 37 C for 0, 2 and 4 hours. The reaction was stopped with lOμl 0.2M NaAcetate, lOOμl 2% LiC10₄ in acetone (made fresh) and spun for 12 minutes in a microfuge, then washed in 500μl acetone and dried.

The reaction products were then resuspended^" in 5μl formamide loading buffer before electrophoresis on a 15% acrylamide sequence gel .

RNase TI Assay for unpaired G residues The following components were mixed in a reaction vessel;

25μl 2x TI buffer (400mM NaCl, 20mM Tris pH7.5)

^'lμl tRNA (lOmg/ml)

0.5μl MgCl₂ (1M) lμl 33P-RNA water to 49μl

lμl RNAase TI stock (0, 0.1, 0.2 or 0.4U/μl) was added and the reaction incubated on ice for 20 minutes.

The reaction was stopped by adding 150 μl ethanol, frozen and treated as described above for PbAcetate samples .

RNase CV1 Assay for ds regions and stacked bases RNase CV1 was obtained from Ambion and used in accordance with the manufacturers as described by the company.

Results and Discussion

Structural description

The structure of M. tuberculosis NusA was solved by a two wavelength MAD experiment using a crystal soaked in 10 mM HgCl₂ for 10 hours. The Cα trace of NusA is shown in stereo in Figure 1, and a ribbons representation of the structure in two orthogonal orientations is shown in Figure 2. NusA can be regarded as being made up of two components, an N terminal domain with a α₃β₃ structure linked to the C- terminal module which has a SI-like domain followed by two K homology domains, KH1 and KH2 , also with α₃β₃ structure.

The N terminal domain is tethered to the rest of the protein by a flexible, seven residue linker that connects the last ordered residue in the N terminal domain (Glu-99) to the first ordered residue in the C-terminal domain (Ser-108) . There is no interpretable electron density for the linker peptide.

The modular organisation of the protein in the crystal is such that the N terminal domain does not make contacts with the rest of the protein. Although there are two NusA molecules in the asymmetric unit, there is well defined electron density for only one of the two N terminal domains. It appears that the other N terminal domain is mobile inside the crystal lattice, as it would be in solution. The fact that one of the N terminal domains is ordered is entirely due to adventitious lattice contacts, even so this domain has an average atomic B factor nearly twice that of the Wilson B factor.

The extreme C terminal region of NusA contains a stretch of proline residues, two of which have been built into the electron density map. The last 15 residues of the NusA molecule cannot be built into the electron density maps and are presumably mobile. In order to understand better the solution properties of NusA, we carried out equilibrium ultra-centrifugation experiments (Figure 3) . These show that, in solution, NusA is predominantly a monomer of molecular weight 42.1 ± 1.3 kDa. This result is similar to that of E. coli NusA which, , although first reported to be a dimer based on size exclusion chromatography, was later shown to be a monomer using equilibrium ultra-centrifugation (Gill et al (1991) supra) .

Dynamic light scattering measurements for M. tuberculosis NusA provide an estimate of the translational diffusion coefficient as (5.9 ± 0.7) x 10^"7 cm²s^_1 which corresponds to an effective hydrodynamic radius of 37 A. A spherical molecule of the same molecular weight would have a radius of approximately 27 A. The frictional ratio (f/f₀) calculated using the measured diffusion coefficient is approximately 1.6, whereas that calculated from the crystal structure is approximately 1.2. However, the discrepancy is probably explained by domain flexibility and solvation effects not included in the atomic model .

These biophysical measurements therefore support the evidence from the crystal structure that the N terminal domain is flexibly tethered to the rest of the molecule.

SDS PAGE analysis of a single crystal depicts NusA to be a single band of molecular weight 37.5 kDa and indicates that the NusA protein is intact . Thus the lack of interpretable electron density for the linker between the N terminal domain and the main body of the protein is not due to degradation of the crystallization material. Inspection of the surface electrostatic potential of NusA shows three markedly basic areas (Figure 4) , consistent with the proposed role in RNA binding. These three regions are situated on the N terminal domain, the SI domain and part of the interface between the KHl and KH2 domains . Of the positively charged residues in these regions, 50 % are conserved across all bacterial species while 90 % of them are conserved within mycobacteria (see Figure 4) .

When all the NusA sequences with <50% homology on the data bank are considered, there are only three conserved basic residues. These are two arginines, 183 and 213 and a single lysine, 219; all three are buried at domain interfaces. In M. tuberculosis NusA, the 22 surface exposed arginines are likely candidates for making interactions with RNA. The role of other residues in NusA: RNA binding is indicated by the binding of a sulphate ion to NusA. This occurs in each of the two independent molecules and involves Gln-308 and Lys- 305 from KH2 and His-216 and Lys-254 from KHl, although there are some differences in the interactions by the two molecules .

Within the C-terminal domain, the residues which contribute to the S1/KH1 and KH1/KH2 interfaces are mostly completely conserved and the rest are highly conserved. The buried surface between SI and KHl is 1100 A² (700 A² non polar) while that between KHl and KH2 is 1450 A² (870 A² non polar) .

The B hairpin 208-222 in KHl acts as a wedge sitting between the SI and KH2 domains. From this platform, Arg-212 extends into the interface with SI whilst Lys-219 and Arg-217 interact with KH2. Most of the other amino acids on the hairpin are non-polar and buried but Ser-218 and Glu-213 also make structurally important interactions to SI and to KH2 respectively. The H-bonds and salt bridges at the domain interfaces are in many cases buried or partly so and involve particularly Arg-183 (SI), Arg-217 (KHl) , Lys-219 (KHl) and Asp-256(KH1-KH2 linker) and Asp-309 (KH2). Included in these specific contacts are a number mediated by main chain groups, e.g. Ala-271CO to Lys-219. Another feature of the KH1/KH2 interface is the presence of a non-polar core comprising Phe-257 (KHl) , Ile-258 (KHl) and Leu-316 (KH2).

This nonpolar core is flanked by Lys 219 making salt bridges with Asp 256, Asp 309 and the main chain oxygen at Ala 271.

The conservation of residues at the domain interfaces extends into the loop structures (see Figure 5) which connect the SI and KHl domains (LSRTHP in mycobacteria and VTRSKP in gram negative bacteria) and the KHl and KH2 domains (^Y/_WDDDPA in mycobacteria and WDDNPA in gram negative bacteria) . While the connecting segment between the SI and KHl contributes significantly to the interface between these domains, the linker between KHl and KH2 does not. The sequence conservation in the KH1-KH2 linker suggests a role for this region in mediating interactions of NusA with either protein or RNA factors .

Structural comparison

Figure 4 illustrates the sequence and structural arrangement of the four domains of NusA where the N terminal domain, the SI domain, the KHl and the KH2 are indicated. Searches for related protein structures using the program DALI identified several potential matches. These are mainly nucleic acid binding proteins or DNA damage repair proteins . The structure of the N-terminal domain is similar to the B chain of the ABC-ATPpase (Hopfner, K-P. et al . Cell 101, 789-800. (2000)) . which contains a Walker B motif (Walker, J. E. et al. EMBO J. 1, 945-95) . The region matching the N-terminal domain is shown in Figure 5.

The second domain of NusA is an SI module (Bycroft, M. et al Cell 88, 235-242. (1997)), which is found in a variety of other proteins (Grishin, N. V. Nuc Acid Res 29, 638-643. (2001), Thisted, T. et al J^". Biol . Chem . 276, 17484-17496. (2001) ) . These domains are characterised by an anti-parallel beta fold and can mediate ^'interactions with oligosaccharides, DNA, RNA, or even other proteins. The presence of a turn of 3ι₀ helix at the end of strand 4 suggests it does not bind to oligosaccarides but to nucleic acids (i.e. DNA or RNA) or other proteins. It is interesting to note that NusA is a cold shock response protein and that some other bacterial cold shock proteins contain SI modules. The mechanistic role of the NusA SI domain in the cold shock' response is yet to be determined.

As described previously, NusA contains two tandem domains (K.H.Lewis et al Cell 100, 323-332. (2000)) towards its C- terminus that share a fairly extensive and closely packed interface. KH modules are widespread RNA binding motifs which were initially detected by sequence similarity

(Gibson, T. J. et al FEBS 324, 361-366. (1993)). Structural- analysis has revealed, rather surprisingly, that although many proteins contain modules with KH sequence similarities they constitute a topologically heterogeneous family. Most KH domains can be classified according to their topology arrangement as either type I or type II (Grishin, N. V. Nuc Acid Res 29, 638-643. (2001)) . The two KH domains of NusA are similar and both belong to type II. The only structure of a KH domain with bound RNA is that of the type I Nova KH3 (Lewis, H. A et al. Cell 100, 323-332. (2000)) domain complexed with an RNA aptamer. Nevertheless, the Nova KH3 structure can be structurally aligned with KHl and KH2 from NusA with main chain r.m.s. deviations of 2.3 and 2.0 A respectively. Therefore, although the topology and consequent arrangement of connecting loops are quite different between type I and type II structures, the core of the tertiary fold is related.

The crystal structure of NusA reported here represents the first structural description of two tandem KH domains within a single protein. This observation is important for how NusA binds RNA. Although not as yet authenticated for M. tuberculosis NusA, E. coli NusA interacts with stem-loop structures (Toulokhonov, I. et al Science 292, 730-733. (2001)) as well as with the RNA polymerase. The extensive and compact nature of the interface between SI, KHl and KH2 of NusA strongly implies that they function in unison to facilitate RNA binding. Furthermore, this structural arrangement is conserved amongst other bacterial NusA proteins (see Figure 4) . There are sequence changes in residues buried in the domains near the interfaces, e.g. from SI, Cys-165 and Tyr-166 in M. tuberculosis are Val and lie respectively in E. coli. These may alter the relative orientation of the adjacent domains and be a mechanism for providing different RNA specificities.

Functional implications and analysis of NusA point mutations NusA plays an important role in interpreting pause signals on the DNA template and the consequent action (s) taken by the RNA polymerase complex. Two features of the structure of NusA have important implications for the role of this protein in interpreting pause sites. The first observation is that the SI, KHl and KH2 modules of the C-terminal domain, all likely to be involved in RNA binding, are held together in a defined and rigid arrangement. Consistent with this observation, the two C-terminal domains in the crystal's asymmetric unit have a very close similarity in their structures : they can be aligned with a main chain r.m.s. deviation of 0.25 A. This means that the three RNA binding motifs must react 'en bloc' to changes in RNA structure and sequence. Secondly, the N terminal, RNA polymerase interacting domain is flexibly tethered to the C- terminal RNA interacting domain. This means that the C terminal domain can change its orientation with respect to the nascent RNA transcript in a sequence dependent manner without necessarily affecting the interaction of the N terminal domain with the RNA polymerase.

Biochemical data (Traviglia, S. L. et al Biochemistry 38, 15774-15778. (1999)) involving protein-protein cross-linking experiments suggest that NusA binds to essentially the same region of the core RNA polymerase as does the sigma factor sigA. The surface of SigA which has been implicated in SigA-RNA polymerase interaction is characterised by a positively charged patch. This basic patch in sigA may correspond to the N terminal region in NusA, which has been suggested to mediate RNA polymerase recognition (Mah, T-F. Mol . Microbiol . 34 523-537. (1999)).

The structure of Λf. tuberculosis NusA allows us to rationalize certain E. coli NusA mutations. Firstly, two mutants in E. coli produce C-terminally truncated proteins (a C terminal 79 residue deletion (Mah, T-F. (2000) supra) and nusA134) . These mutants show defective growth at 42 °C but grow normally at 32°C. This is important because M. tuberculosis NusA is naturally about 80 residues shorter at the C terminus than the E. coli protein. Given the extensive sequence conservation between the M. tuberculosis and E. coli NusA, these mutants imply that M. tuberculosis NusA is a functionally necessary component of the RNA polymerase complex. Secondly, the nusAlO mutation, which makes E. coli cells cold shock sensitive and termination defective, contains two amino acid changes: a conserved Arg (residue 104 in E. coli corresponding to 81 in M. tuberculosis) and a conserved Glu (residue 212 in E. coli corresponding to 196 in M. tuberculosis) . The Arg-81 residue located in the N domain is involved in interactions with the neighbouring residues and appears to be structurally important. The Glu residue is located on helix H5 of the KHl domain and is oriented towards the sites on KHl which interacts with RNA. Inspection of our structure suggests that mutation of this glutamic acid to a lysine would be likely to interfere with RNA binding. The nusAlO mutant therefore appears likely to compromise the function of the N and KHl domains .

An interaction between M. tuberculosis NusA and the M. tuberculosis rrn leader Using EMSAs and RNA structure mapping the interaction of M. tuberculosis NusA protein and the M. tuberculosis rrn leader region was investigated in detail .

The M. tuberculosis NusA protein was expressed with an N- terminal hexahistdine-tag and purified on a Talon matrix, which resulted in >95% purity. The RNA probe used in the assays was obtained by in vi tro transcription using SP6 RNA polymerase. All or part of the M. tuberculosis rrn operon was cloned into pGEM3Z in both orientations, which resulted in transcripts that included either the entire or the first half (nucleotides 1 to 104) of the M. tuberculosis rrn leader region as sense and anti-sense transcripts.

EMSA results showed that two complexes of different mobility were formed between NusA and the rrn leader region and that the same complexes were formed when RNAPα was added to the reaction. However, the faster moving complex was only formed with the sense transcript providing indication that this complex was specific for the sense transcript and that the slow moving complexes were due to a non-specific interaction between NusA and RNA.

EMSA results showed that the first half of the rrn leader transcript (nucleotide 10-104) ^' clearly formed sequence specific complexes with NusA, as seen by the absence of distinct complexes in the anti-sense reaction.

The first half of the M. tuberculosis rrn leader was observed to be sufficient to bind the NusA protein and furthermore the RNAPα was not required to obtain an interaction between NusA and RNA.

Mutants of NusA with altered binding properties.

M. tuberculosis mutants R183A, E196K and ΔKH2 were generated to establish in vivo and in vi tro anti-termination and RNA binding properties . The Arginine at position 183 corresponds to the E. coli R199 located on the boundary between the SI and the KHl domains (Worbs (2001) Mol. Cell 7 1177-1189; Gopal, B. et al Biochemistry 40, 920-928 (2001)). This residue may act by holding the two RNA binding domains together to form an extended RNA binding region and has been shown to be deficient in λN-RNA interaction. The E196K mutation corresponds to one of the two point mutations making up the E. coli nusAlO allele and mainly responsible for the phenotype of this mutant. The E196 residue is located within the second RNA binding domain, the KHl domain. Finally the ΔKH2 mutant was made in order to determine the role of this domain. The appropriate residues were altered by using site- directed mutagenesis. The ΔKH2 mutant was made by introducing a stop codon between the two KH domains. SDS- PAGE verified that the point-mutated proteins had the same mobility as the wild type protein, whereas the ΔKH2 protein was smaller. The mutant proteins were expressed and purified as before and used in the assay.

The R183A mutation was observed to completely abolish binding at 5 and 10 nM protein concentrations. However, by increasing the protein concentration to lOOnM a faint omplex could be observed. The corresponding E. coli mutant, R199A, has already been shown to be deficient in RNA binding, albeit in combination with λN (Mogridge (1995) Genes Dev. 9 2831-2845) .

The ΔKH2 mutant, like the R183A, did not form complexes at 5 and 10 nM concentrations but weak complexes could be observed at 50nM.

E196K formed complexes at least as avidly as the wild type protein.

These results indicated that the observed interaction was a specific NusA-RNA interaction that could be disrupted by introducing mutations known to interfere with RNA binding. A truncated E. coli 1-416 NusA protein was expressed and purified as described above. This truncated E. coli NusA was also observed to bind to the M. tuberculosis rrn leader region although with reduced affinity, providing indication that the NusA-RNA interaction is a shared feature between the E . coli and M. tuberculosis NusA proteins .

The M. tuberculosis nut site does not bind NusA Two non-overlapping probes were designed: one that spanned the nut site, i.e. nucleotides 1 to 47 of the rrn transcript and a second one spanning nucleotides 48 to 104.

Neither of the two transcripts formed complexes at NusA concentrations up to 50nM, indicating that the already observed binding required sequences in both halves of the 104 nucleotide transcript.

An extended nut site probe was designed which spanned nucleotides 1 to 63, i.e. 16 nucleotides more than the nut site transcript. The resulting EMSA showed that, unlike the nut site probe, the extended nut site probe formed complexes with NusA at the same protein concentrations. Furthermore the non-specific NusA-RNA interaction was eliminated as seen by the complete absence of complexes or smear in the anti- sense reactions.

The interaction was challenged by increasing the salt concentration to 1M KCl, but this did not disrupt binding. At least 75% of the probe was shifted at 25nM NusA, providing a K. < lOnM. This shows a highly specific and high- affinity interaction between the NusA protein and the extended nut site probe. A probe spanning nucleotides 20 to 63 was designed which omitted the first stem loop, which harbours the BoxB sequence but had the same 3 ' end as the extended nut site probe. This probe was also observed to bind to the NusA protein, demonstrating that BoxB is not required for an RNA- NusA interaction. An M. tuberculosis rrn leader region from position 20 to 63 is therefore both necessary and sufficient for NusA binding.

Nucleotides of the rrn leader involved in NusA interaction.

A series of primer extension assays were performed with different primers and probes harbouring the NusA binding site and with and without NusA present. None of the reactions demonstrated any visible difference in the presence or absence of protein, indicating that the NusA protein did not bind unstructured RNA.

The interaction was investigated under native conditions, i.e. structure probing of the RNA and RNA/NusA complex in the native conformation. The method was first used to verify a secondary structure obtained with the Mulfold program. Two sequences were submitted/tested: rrn leader 1-63 and 20-63. Since NusA was found to interact with both transcripts with high specificity, the structures should be consistent, i.e. contain features that were present in both structures . A number of possibilities were available but only two gave such consistent structures. The RNA used in the structure mapping was created by cloning the region from 1-63 into a self-splicing ribozyme-flanked construct (REF) , which upon in vitro transcription and autocleavage generated a transcript without vector sequences and with 5 ' OH end. The different RNA species were separated on a 12% acrylamide sequence g l and the desired transcript cut out after identification by UV shadowing. After elution, ³³P-labelling and a second purification step, the RNA was tested for NusA- binding in an EMSA, where the various probing buffers were also tested. The RNA structure .was probed with lead acetate and RNases TI and CV1. After degradation the RNA was electrophoresed on a 15% acrylamide sequence gel and exposed to autoradiography.

The resulting cleavage pattern indicated that NusA recognised a three-stem-loop structure. Purified NusA protein was subsequently added to the reactions to determine if there were changes in the digestion pattern. Since the EMSA had indicated that the probing buffers did not sustain an optimal binding reaction, the NusA concentration was increased to 250nM in the structure experiments.

As expected, changes were observed mainly in the second and third stem-loops of the three-stem-loop structure, since this part of the transcript had already been shown to be sufficient for NusA binding. Positions C23 and C27 in the second stem became more sensitive to lead acetate digestion after the addition of NusA, whereas G37, opposite C27, appeared to be protected from TI digestion in the presence of NusA. G37 may therefore interact with NusA, which in turn disrupts the base pairing between G37 and C27 thus leaving C27 unpaired. This is supported by a slight increase in the intensity of G26 in the TI reaction.

In the CV1 reaction, the band corresponding to C48 became weaker upon the addition of NusA and at the same time there was a slight increase in the intensity of all bands between positions G43 and C48 in the lead acetate reaction. This indicates a shift from double-stranded towards single- stranded conformation, i.e. a weakening of the base pairing of the third stem. Position C48 also showed up very strongly in both the TI and lead acetate reactions on different occasions, providing further evidence of a single-stranded conformation. On the opposite side of the third stem, the bands corresponding to positions G55 and G57 became weaker in the TI reaction, indicating that either the base-pairing was stabilised or these two nucleotides were protected directly by the NusA protein.

Since the results obtained with CV1 and lead acetate both indicate a weakening of the base-pairing, NusA may directly protect G55 and G57, which may result in an opening of the stem structure.

Two regions of the rrn leader were affected by the interaction with NusA. One was the centre of the second stem around positions C27 and G37. The second region of interaction was in the third stem, in particular positions

C48, G55 and G57.

In summary, a region of 43 nucleotides of the M. tuberculosis rrn leader region bound the M. tuberculosis NusA protein with high specificity and affinity (¥i_ < 10nM) . The NusA target did not include the BoxB motif. However, the BoxA sequence appeared to play a central role in the binding. This sequence was included in the minimal transcript required for binding and also contained individual nucleotides shown to be involved in the interaction. The positions that appeared to be involved in the interaction were C27, G37, C48, G55 and G57. The sites of interaction are in the only two regions in the three- stem-loop structure that contain non-Watson-Crick base pairs. C27 and G37 form a conventional Watson-Crick base pair but these are adjacent to a wobble G-U base pair in the second stem. Non-Watson-Crick base pairs are known to be involved in certain RNA motifs recognised by proteins. Their function is to distort the RNA helix in order to accommodate the protein. Likewise the second region of interaction is located around a central loop/ U-U base pair, another site for protein recognition.

A number of NusA mutants were shown to affect RNA binding. The R183A abolished binding at the lower protein .concentrations although binding could be observed if the concentration was increased approximately ten-fold.

The reduced binding affinity of the ΔKH2 mutant indicates that all three RNA-binding domains, of the NusA protein are required to obtain a proper high-affinity interaction with RNA.

The increased affinity of the E196K mutant was unexpected in the light of the nusAl O mutant's inability to support λN as well as rrn anti -termination at restrictive temperatures (Schauer et al (1987) J. Mol. Biol. 194 679-690). Increased affinity towards RNA may be responsible for the phenotype, especially if the interaction was further stabilised at lower temperatures .

The crystal structure of, the M. tuberculosis NusA reveals the molecule to be made up of two distinct domains. The N terminal domain, which has been implicated in RNA polymerase interaction is characterised by a basic patch similar to the RNA polymerase interacting region of SigA. The C-terminal domain contains three distinct RNA binding modules. These three are held together in a defined and rigid manner by significant pair-wise interactions, between the SI and KHl, and KHl and KH2 motifs. This is the first structural description of such an arrangement' and has wide-ranging implications for how NusA interacts with RNA. Clearly the next step is to obtain structural information from complexes of NusA with cognate RNA. The fact that the N and C terminal domains are flexibly linked was not anticipated and this interdomain flexibility may facilitate the simultaneous interaction of NusA with RNA polymerase and the nascent RNA transcript. The structure presented here provides the structural basis on which these and other ideas may be tested by genetic and biochemical approaches .

"ablo 1 - Dala collection, phasing and refinement.

A. Data collection

Dataset (λ A) Native Hgλ, (1.009) Hgλ₂ (0.S

(0.9393) d_min (A) 1 .7 3.0 3.0

Completeness (%) 91.2 94.1 88.6

Redundancy¹ 4.4 2.8 2.7

Phasing (Hg)

Resolution bin (A) 1 5-3.0 15-7.3 7.3-5.5 5.5-4.6

FOM 0.32- 0.55 0.56 0.50 0.46 0.38 0.26 0.22

C. Refinement R_crvsl (%)³ R_lree (%)" rms_bond (A) rms_ang,_e (deg.)

21 .1 24.9 0.005 1 .1

¹ N_obJN_unique (calculated with merged Bijvoets)

² R_sym = ∑_jkl> - l_jl/∑<l> where l_j is the intensity of the jth reflection and <l> is the average intensity. Bijvoets not merged for the Hg dalasets

Rcrysl = -∑- l I Γ ₀bs " r_caι_cl/ ∑f,k|l F₀bs

R_hee - as for R_crysl but calculated on 5% of the data excluded from the refinement calculation.

TABLE 2

REMARK peptide link removed (applied DPEP) : from A 99 to A 108

REMARK peptide link removed (applied DPEP) : from B 99 to B 108

REMARK coordinates from minimization and B-factor refinement

REMARK refinement resolution: 500.0 - 1.7 A

REMARK starting r= 0.2461 free_r= 0.2656

REMARK final r= 0.2456 free_r= 0.2656

REMARK rmsd bonds= 0.004686 rmsd angles= 1. 10019

REMARK B rmsd for bonded mainchain atoms= 1. 526 target= 1.5

REMARK B rmsd for bonded sidechain atoms= 2. 345 target= 2.0

REMARK B rmsd for angle mainchain atoms= 2.526 target= 2.0

REMARK B rmsd for angle sidechain atoms= 3.643 target= 2.5

REMARK target= mlf final wa= 0.668312

REMARK final rweight= 0.0656 (with wa= 0.668312)

REMARK md-method= torsion annealing schedule= constant

REMARK starting temperature= 2500 total md steps= 1 * 100

REMARK cycles= 1 coordinate steps= 50 B-factor steps= 50

REMARK sg= P3(2)21 a= 88.987 b= 88.987 c= 180.208 alpha= 90 beta= 90 gamma= 120

REMARK topology file 1 CNSJTOPPAR : rotein . top

REMARK topology file 2 CNS_TOPPAR : dna-rna . top

REMARK topology file 3 CNSJTOPPAR :water . top

REMARK topology file 4 CNSJTOPPAR : ion. top

REMARK parameter -file 1 CNSJTOPPAR :protein_rep . aram

REMARK parameter file 2 CNSJTOPPAR : dna-rna_rep . param

REMARK parameter file 3 CNSJTOPPAR: ater_rep .param

REMARK parameter file 4 CNSJTOPPAR : ion . aram

REMARK molecular structure file: automatic

REMARK input coordinates: nusadep.pdb

REMARK reflection file= nusa_start . cv

REMARK ncs= none

REMARK B-correction resolution: 6.0 - 1.7

REMARK initial B-factor correction applied to fobs :

REMARK Bll= 1.634 B22= 1.634 B33= -3.268

REMARK B12= -0.018 B13= 0.000 B23= 0.000

REMARK B-factor correction applied to coordinate array B: 0.244

REMARK bulk solvent: density level= 0.306525 e/A 3, B-factor= 64.886 A^Λ2

REMARK reflections with | Fobs | /sigma_F < 0.0 rejected

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

REMARK theoretical total number of refl. in resol. range: 91600 ( 100 o % )

REMARK number of unobserved reflections (no entry or |F|=0) : 12597 ( 13 8

REMARK number of reflections rejected: o ( 0 o a, \

REMARK total number of reflections used: 79003 ( 86 2 a. \

REMARK number of reflections in working set : 71086 ( 77 6 % )

REMARK number of reflections in test set: 7917 ( 8 6 % )

CRYST1 88.987 88.987 180.208 90.00 90.00 120.00 P 32 2 1

REMARK FI ENAME= 'cnsδ.pdb"

REMARK DATE: 02-Oct-2001 11 33:52 ccrr<esaatteedd bbyy uusseer: bgopal

REMARK VERSION: 1 .1

ATOM 1 CB VAL A -4 -60 138 47 937 30 253 0 . 00 39 . 39 A

ATOM 2 CGI VAL A -4 -60 611 46 868 31 224 0 . 00 39 . 37 A

ATOM 3 CG2 VAL A -4 -59 410 49 044 30 998 0 . 00 39 . 37 A

ATOM 4 C VAL A -4 -58 889 48 364 28 138 0 . 00 39 . 45 A

ATOM 5 0 VAL A -4 -57 724 48 672 27 884 0 . 00 39 . 44 A

ATOM 6 N VAL A -4 -57 963 46 779 29 820 0 . 00 39 . 41 A

ATOM 7 CA VAL A -4 -59 206 47 311 29 193 0 . 00 39 . 42 A

ATOM 8 N SER A -3 -59 933 48 914 27 527 0 . 00 39 . 50 A

ATOM 9 CA SER A -3 -59 773 49 931 26 494 0 . 00 39 . 57 A

ATOM 10 CB SER A -3 -61 119 50 213 25 821 0 . 00 39 . 55 A

ATOM 11 OG SER A -3 -61 644 49 042 25 219 0 . 00 39 . 53 A

ATOM 12 ^' C SER A -3 -59 207 51 227 2 277 . 006633 0 . 00 39 . 64 A ATOM 13 O SER A -3 -59.361 51.517 28.250 o .00 39.64 A

ATOM 14 N ARG A -2 -58 .551 52 .002 26 .205 o .00 39 .75 A

ATOM 15 CA ARG A -2 -57 .959 53 .272 26 .607 o .00 39 .87 A

ATOM 16 CB ARG A -2 -56 .440 53 .129 26 .738 o .00 39 .79 A

ATOM 17 CG ARG A -2 -55 .993 52 .102 27 .770 o .00 39 .70 A

ATOM 18 CD ARG A -2 -56 .430 52 .495 29 .174 o .00 39 .62 A

ATOM 19 NE ARG A -2 -56 .044 51 .500 30 .171 o .00 39 .56 A

ATOM 20 CZ ARG A -2 -54 .788 51 .172 30 .458 o .00 39 .52 A

ATOM 21 NH1 ARG A -2 -53 .783 51 .761 29 .824 o .00 39 .50 A

ATOM .22 NH2 ARG A -2 -54 .535 50 .254 31 .380 o .00 39 .50 A

ATOM 23 C ARG A -2 -58 .286 54 .351 25 .579 o .00 40 .02 A

ATOM 24 O ARG A -2 -59 .152 54 .164 24 .724 o .00 40 .02 A

ATOM 25 N ARG A -1 -57 .590 55 .479 25 .668 o .00 40 .22 A

ATOM 26 CA ARG A -1 -57 .801 56 .588 24 .746 o .00 40 .45 A

ATOM 27 CB ARG A -1 -58 .860 57 .542 25 .305 o .00 40 .35 A

ATOM 28 CG ARG A -1 -59 .308 58 .621 24 .332 o .00 40 .25 A

ATOM 29 CD ARG A -1 -60 .351 59 .532 24 .961 o .00 40 .16 A

ATOM 30 NE ARG A -1 -61 .515 58 .788 25 .435 o .00 40 .08 A

ATOM 31 CZ ARG A -1 -62 .563 59 .344 26 .035 o .00 40 .04 A

ATOM 32 NH1 ARG A -1 -62 .597 60 .654 26 .237 o .00 40 .02 A

ATOM 33 NH2 ARG A -1 -63 .578 58 .589 26 .436 o .00 40 .02 A

ATOM 34 C ARG A -1 -56 .486 57 .332 24 .538 o .00 40 .68 A

ATOM 35 0 ARG A -1 -55 .588 57 .261 25, .376 o .00 40 .68 A

ATOM 36 N HIS A o -56 .374 58 .043 23 .420 o, .00 40, .99 A

ATOM 37 CA HIS A o -55. .157 58 .787 23, .115 o. .00 41, .33 A

ATOM 38 CB HIS A o -54 .818 58 .651 21 .628 o .00 41 .22 A

ATOM 39 CG HIS A o -53, .382 58 .929 21 .307 o. .00 41 .15 A

ATOM 40 CD2 HIS A o -52. .320 59 .179 22. .108 o, .00. 41, .11 A

ATOM 41 ND1 HIS A o -52. .899 58, .948 20, .016 o, .00 41, .11 A

ATOM 42 CE1 HIS A o -51, .602 59, .197 20. .036 o. .00 41. .09 A

ATOM 43 NE2 HIS A o -51, .225 59. .341 21. .294 o. .00 41. ,09 A

ATOM 44 C HIS A o -55. ,323 60. .260 23. .474 o. ,oo 41. .65 A

ATOM 45 O HIS A o -56, .436 60, .787 23. .470 o. .00 41, .66 A

ATOM 46 N MET A 1 -54, .212 60. .921 23. .785 o. .00 42. .07 A

ATOM 47 CA MET A 1 -54. .237 62. ,333 24. ,150 o. .00 42. .54 A

ATOM 48 CB MET A 1 -54. .258 62. .482 25. ,674 o. ,00 42. ,45 A

ATOM 49 CG MET A 1 -55. ,496 61. .908 26. ,342 o. .00 42. ,39 A

ATOM 50 SD MET A 1 -57. .012 62. ,732 25. ,820 o. oo 42. ,34 A

ATOM 51 CE MET A 1 -57. ,110 64. ,054 27. 026 o. oo 42. ,31 A

ATOM 52 C MET A 1 -53. .043 63. ,094 23. ,584 o. ,oo 42. ,93 A

ATOM 53 O MET A 1 -53. ,181 64. ,231 23. 131 o. ,oo 42. ,94 A

ATOM 54 N ASN A 2 -51. ,872 62. ,465 23. 612 o. ,oo 43. ,45 A

ATOM 55 CA ASN A 2 -50. ,659 63. ,097 23. 109 o. oo 44. ,02 A

ATOM 56 CB ASN A 2 -49. 465 62. 709 23. 987 o. oo 43. 91 A

ATOM 57 CG ASN A 2 -48. 303 63. 677 23. 858 o. oo 43. 87 A

ATOM 58 OD1 ASN A 2 -47. 260 63. 498 24. 486 o. oo 43. 84 A

ATOM 59 ND2 ASN A 2 -48. 481 64. 714 23. 046 o. oo 43. ,84 A

ATOM 60 C ASN A 2 -50. 396 62. 696 21. 658 o. oo 44. ,49 A

ATOM 61 O ASN A 2 -51. 312 62. 281 20. 947 o. oo 44. .51 A

ATOM 62 N ILE A 3 -49. 145 62. 818 21. 225 o. oo 45. 12 A

ATOM 63 CA ILE A 3 -48. 770 62. 478 19. 856 o. oo 45. 79 A

ATOM 64 CB ILE A 3 -48. 089 63. 674 19. 157 o. oo 45. 70 A

ATOM 65 CG2 ILE A 3 -48. 062 63. 451 17. 650 o. oo 45. 69 A

ATOM 66 CGI ILE A 3 -48. 851 64. 963 19. 469 o. oo 45. 67 A

ATOM 67 CD1 ILE A 3 -48. 186 66. 215 18. 934 o. oo 45. 63 A

ATOM 68 C ILE A 3 -47. 807 61. 293 19. 836 o. oo 46. 35 A

ATOM 69 O ILE A 3 -47. 264 60. 905 20. 870 o. oo 46. 37 A

ATOM 70 N ASP A 4 -47. 599 60. 724 18. 652 o. oo 47. 07 A

ATOM 71 CA ASP A 4 -46. 699 59. 587 18. 491 o. oo 47. 86 A

ATOM 72 CB ASP A 4 -46. 984 58. 871 17. 169 o. oo 47. 74 A

ATOM 73 CG ASP A 4 -45. 981 57. 772 16. 872 o. oo 47. 71 A ATOM 74 OD1 ASP A 4 -45.850 56.844 17.697 o .00 47.67 A

ATOM 75 OD2 ASP A 4 -45 .323 57 .838 15 .813 o .00 47 .67 A

ATOM 76 C ASP A 4 -45 .240 60 .027 18 .529 o .00 48 .49 A

ATOM 77 O ASP A 4 -44 .879 61 .068 17 .979 o .00 48 .52 A

ATOM 78 N MET A 5 -44 .405 59 .225 19 .182 o .00 49 .31 A

ATOM 79 CA MET A 5 -42 .981 59 .517 19 .299 o .00 50 .20 A

ATOM 80 CB MET A 5 -42 .699 60 .259 20 .608 o .00 50 .09 A

ATOM 81 CG MET A 5 -43 .223 61 .684 20 .646 0 .00 50 .05 A

ATOM 82 SD MET A 5 -42 .370 62 .763 19 .480 o .00 50 .00 A

ATOM 83 CE MET A 5 -41 .003 63 .336 20 .492 o .00 49 .97 A

ATOM 84 C MET A 5 •42 .160 58 .233 19 .250 0 .00 50 .90 A

ATOM 85 O MET A 5 -41 .568 57 .825 20 .250 o .00 50 .94 A

ATOM 86 N ALA A 6 42 .129 57 .599 18 .082 o .00 51 .81 A

ATOM 87 CA ALA A 6 41 .381 56 .361 17 .904 o .00 52 .78 A

ATOM 88 CB ALA A 6 42 .298 55 .166 18 .118 o .00 52 .70 A

ATOM 89 C ALA A 6 40 .753 56 .296 16 .517 o .00 53 .52 A

ATOM 90 O ALA A 6 40 .164 55 .282 16 .139 o oo 53 .56 A

ATOM 91 N ALA A 7 40 .881 57 .382 15 .763 o oo 54 .47 A

ATOM 92 CA ALA A 7 40 323 57 .449 14 .417 0 oo 55 .48 A

ATOM 93 CB ALA A 7 40 965 58 .595 13 .645 0 oo 55 .40 A

ATOM 94 C ALA A 7 38 812 57 .640 14 478 o oo 56 .25 A

ATOM • 95 O ALA A 7 38 163 57 .858 13 456 o oo 56 .29 A

ATOM 96 N LEU A 8 38 260 57 555 15 684 o oo 57 22 A

ATOM 97 CA LEU A 8 36 826 57 718 15 889 0 oo 58 25 A

ATOM 98 CB LEU A 8 36 563 58 401 17 233 o oo 58 18 A

ATOM 99 CG LEU A 8 37 260 59 742 17 473 o oo 58 .19 A

ATOM 100 CD1 LEU A 8 36 938 60 .239 18 874 o oo 58 18 A

ATOM 101 CD2 LEU A 8 36 813 60 754 16 429 o oo 58 18 A

ATOM 102 C LEU A 8 36 124 56 366 15 857 o oo 59 04 A

ATOM 103 O LEU A 8 35 162 56 170 15 113 o oo 59 09 A

ATOM 104 N HIS A 9 36 613 55 435 16 670 o oo 60 03 A

ATOM 105 CA HIS A 9 36 039 54 097 16 744 o oo 61 07 A

ATOM 106 CB HIS A 9 36 491 53 406 18 033 o oo 61 03 A

ATOM 107 CG HIS A 9 36 089 54 131 19 280 o oo 61 06 A

ATOM 108 CD2 HIS A 9 36 832 54 718 20 248 o oo 61 06 A

ATOM 109 ND1 HIS A ^' 9 34 772 54 320 19 639 o oo 61 06 A

ATOM 110 CE1 HIS A 9 34 720 54 993 20 775 o oo 61 06 A

ATOM 111 NE2 HIS A 9 35 956 55 247 ^' 21 166 o oo 61 06 A

ATOM 112 C HIS A 9 36 453 53 258 15 540 o oo 61 85 A

ATOM 113 O HIS A 9 36 056 52 099 15 414 o oo 61 90 A

ATOM 114 N ALA A 10 37 250 53 851 14 657 o oo 62 82 A

ATOM 115 CA ALA A 10 37 721 53 164 13 460 o oo 63 84 A

ATOM 116 CB ALA A 10 38 601 54 097 12 638 o oo 63 78 A

ATOM 117 C ALA A 10 36 552 52 668 12 616 o oo 64 59 A

ATOM 118 O ALA A 10 36. 695 51 732 11 829 o. oo 64. 65 A

ATOM 119 N ILE A 11 35 397 53 303 12 784 o oo 65 53 A

ATOM 120 CA ILE A 11 34 200 52 930 12 041 o oo 66 51 A

ATOM 121 CB ILE A 11 33 828 54 015 11 006 o 00 66 50 A

ATOM 122 CG2 ILE A 11 34 847 54 025 9 877 0 oo 66 55 A ^'

ATOM 123 CGI ILE A 11 33. 757 55 384 11 687 o oo 66 56 A

ATOM 124 CD1 ILE A 11 33. 376 56 518 10 757 o. oo 66 58 A

ATOM 125 C ILE A 11 33. 017 52 710 12 980 o. oo 67. 20 A

ATOM 126 O ILE A 11 31. 935 53. 261 12 776 o. oo 67. 27 A

ATOM 127 N GLU A 12 33. 235 51. 898 14 010 o. oo 68. 06 A

ATOM 128 CA GLU A 12 32. 195 51. 596 14 986 0. oo 68. 94 A

ATOM 129 CB GLU A 12 32. 818 50. 975 16. 240 0. oo 68. 98 A

ATOM 130 CG GLU A 12 31. 840 50. 741 17. 382 o. oo 69. 12 A

ATOM 131 CD GLU A 12 31. 292 52. 032 17. 961 0. oo 69. 17 A

ATOM 132 OE1 GLU A 12 30. 603 52. 773 17. 229 o. oo 69. 21 A

ATOM 133 OE2 GLU A 12 31. 555 52. 308 19. 151 o. oo 69. 21 A

ATOM 134 C GLU A 12 31. 173 50. 635 14. 388 o. oo 69. 53 A ATOM 135 O GLU A 12 -31.225 49.428 14.628 o .00 69.59 A

ATOM 136 N VAL A 13 -30 .246 51 .179 13 .605 o .00 70 .25 A

ATOM 137 CA VAL A 13 -29 .208 50 .379 12 .965 o .00 70 .99 A

ATOM 138 CB VAL A 13 -28 .294 49 .705 14 .014 o .00 71 .00 A

ATOM 139 CGI VAL A 13 -27 .117 49 .032 13 .325 o .00 71 .06 'A

ATOM 140 CG2 VAL A 13 -27 .808 50 .736 15 .019 o .00 71 .06 A

ATOM 141 C VAL A 13 -29 .830 49 .297 12 .086 . o .00 71 .48 A

ATOM 142 O VAL A 13 -29 .808 48 .114 12 .429 o .00 71 .54 A

ATOM 143 N ASP A 14 -30 .388 49 .711 10 .952 0 .00 72 .08 A

ATOM 144 CA ASP A 14 -31 .017 48 .780 10 .022 0 .00 72 .67 A

ATOM 145 CB ASP A 14 -32 .312 48 .230 10 .624 0 .00 72 .76 A

ATOM 146 CG ASP A 14 -32 .777 46 .955 9 .948 0 .00 72 .85 A

ATOM 147 ODl ASP A 14 -33 .847 46 .436 10 .330 0 .00 72 .90 A

ATOM 148 OD2 ASP A 14 •32 .072 46 .467 9 .039 o .00 72 .90 A

ATOM 149 C ASP A 14 ^■31 .313 49 .492 8 .704 o .00 73 .04 A

ATOM 150 O ASP A 14 ^■30 .954 50 .657 8 .529 o .00 73 .10 A

ATOM 151 N ARG A 15 ^■31 .972 48 .794 7 .782 o .00 73 .47 A

ATOM 152 CA ARG A 15 32 .303 49 .363 6 .479 o .00 73 .89 A

ATOM 153 CB ARG A 15 33 .323 50 .499 6 .627 0 .00 74 .07 A

ATOM 154 CG ARG A 15 34 .774 50 065 6 .823 0 .00 74 .35 A

ATOM 155 CD ARG A 15 34 .984 49 277 8 .107 0 oo 74 .56 A

ATOM 156 NE ARG A 15 34 .590 47 877 7 .972 o oo 74 .76 A

ATOM 157 CZ ARG A 15 35 .201 47 ooo 7 .181 o .00 74 85 A

ATOM 158 ^' NH1 ARG A 15 36 .240 47 375 6 .447 o oo 74 .91 A

ATOM 159 NH2 ARG A 15 34 775 45 746 7 127 o oo 74 91 A

ATOM 160 C ARG A 15 31 050 49 897 5 791 0 oo 74 05 A

ATOM 161 O ARG A 15 30 315 49 149 5 146 0 oo 74 09 A

ATOM 162 N GLY A 16 30 814 51 197 5 937 0 oo 74 22 A

ATOM 163 CA GLY A 16 29 652 51 819 5 332 o oo 74 40 A

ATOM 164 C GLY A 16 29 489 53 254 5 792 o oo 74 51 A

ATOM 165 O GLY A 16 28 812 54 052 5 143 o oo 74 54 A

ATOM 166 N ILE A 17 30 114 53 581 6 918 o oo 74 59 A

ATOM 167 CA ILE A 17 30 046 54 928 7 473 0 oo 74 66 A

ATOM 168 CB ILE A 17 31 450 55 566 7 557 0 oo 74 74 A

ATOM 169 CG2 ILE A 17 31 334 57 038 7 927 0 oo 74 79 A

ATOM 170 CGI ILE A 17 32 176 55 413 6 217 o oo 74 81 A

ATOM 171 CD1 ILE A 17 31 458 56 046 5 042 o oo 74 87 A

ATOM 172 C ILE A 17 29 444 54 887 8 875 o oo 74 61 A

ATOM 173 O ILE A 17 29 561 53 885 9 580 0 oo 74 64 A

ATOM 174 N SER A 18 28 801 55 981 9 273 0 oo 74 52 A

ATOM 175 CA SER A 18 28 184 56 068 10 591 0 oo 74 40 A

ATOM 176 CB SER A 18 27 298 57 314 10 676 o oo 74 46 A

ATOM 177 OG SER A 18 26 264 57 271 9 708 o oo 74 51 A

ATOM 178 C SER A 18 29 246 56 117 11 684 o oo 74 27 A

ATOM 179 O SER A 18 30 403 55 763 11 455 o oo 74 28 A

ATOM 180 N VAL A 19 28 848 56 556 12 874 o oo 74 06 A

ATOM 181 CA VAL A 19 29 767 56. 649 14. 001 o. oo 73. 82 A

ATOM 182 CB VAL A 19 29 303 55. 758 15. 174 o. oo 73. 88 A

ATOM 183 CGI VAL A 19 30 329 55. 799 16. 296 0. oo 73. 92 A

ATOM 184 CG2 VAL A 19 29 094 54. 333 14. 692 o. oo 73. 92 A

ATOM 185 C VAL A 19 29. 876 58. 087 14. 497 0. oo 73. 58 A

ATOM 186 O VAL A 19 30 968 58. 654 ,14. 552 0 . oo 73. 59 A

ATOM 187 N ASN A 20 28. 737 58. 670 14. 856 0 . oo 73. 26 A

ATOM 188 CA ASN A 20 28. 697 60. 041 15. 349 0 . oo 72. 89 A

ATOM 189 CB ASN A 20 27. 275 60. 401 15. 787 o. oo 72. 99 A

ATOM 190 CG ASN A 20 26. 271 60. 287 14. 657 o. 00 73. 04 A

ATOM 191 ODl ASN A^' 20 26. 077 59. 211 14. 091 o. oo 73. 08 A

ATOM 192 ND2 ASN A 20 25. 627 61. 399 14. 323 o. oo 73. 08 A

ATOM 193 C ASN A 20 29. 169 61. 028 14. 287 o. oo 72. 56 A

ATOM 194 O ASN A 20 29. 710 62. 087 14. 608 o. oo 72. 56 A

ATOM 195 N GLU A 21 28. 961 60. 677 13. 023 o. oo 72. 13 A ATOM 196 CA GLU A 21 -29.364 61.536 11.917 o .00 71.65 A

ATOM 197 CB GLU A 21 -28 .587 61 .167 10 .651 o .00 71 .74 A

ATOM 198 CG GLU A 21 -28 .818 62 .111 9 .482 o .00 71 .81 A

ATOM 199 CD GLU A 21 -28 .439 63 .543 9 .810 o .00 71 .85 A

ATOM 200 OE1 GLU A 21 -27 .264 63 .783 10 .160 o .00 71 .88 A

ATOM 201 OE2 GLU A 21 -29 .315 64 .428 9 .717 o .00 71 .88 A

ATOM 202 C GLU A 21 -30 .863 61 .416 11 .659 o .00 71 .25 A

ATOM 203 O GLU A 21 -31 .289 60 .870 10 .641 o .00 71 .23 A

ATOM 204 N LEU A 22 -31 .656 61 .929 12 .594 o .00 70 .73 A

ATOM 205 CA LEU A 22 -33 .110 61 .888 12 .484 o .00 70 .16 A

ATOM 206 CB LEU A 22 -33 .605 60 .442 12 .571 o .00 70 .22 A

ATOM 207 CG LEU A 22 -35 .093 60 .200 12 .312 o .00 70 .23 A

ATOM 208 CD1 LEU A 22 -35 .431 60 .569 10 .874 o .00 70 .25 A

ATOM 209 CD2 LEU A 22 -35 .424 58 .740 12 .575 o .00 70 .25 A

ATOM 210 C LEU A 22 -33 .722 62 .711 13 .613 o .00 69 .72 A

ATOM 211 O LEU A 22 -34 .925 62 .976 13 .624 0 .00 69 .69 A

ATOM 212 N LEU A 23 -32 .880 63 .111 14 .560 o .00 69 .15 A

ATOM 213 CA LEU A 23 -33 .316 63 .905 15 .702 o .00 68 .55 A

ATOM 214 CB LEU A 23 -32 .461 63 .571 16 .927 o .00 68 .59 A

ATOM 215 CG LEU A 23 -32 .525 62 .132 17 .444 o .00 68 .58 A

ATOM 216 CD1 LEU A 23 -31 .439 61. .910 18 .483 o .00 68 .59 A

ATOM 217 CD2 LEU A 23 -33 .900 61 .859 18 .032 o .00 68 .59 A

ATOM 218 C LEU A 23 -33 .206 65. .394 15 .393 o .00 68 .10 A

ATOM 219 O LEU A 23 -33 .183 66, .226 16. .300 o, .00 68 .07 A

ATOM 220 N GLU A 24 -33 .137 65 .724 14 .107 o. .00 67 .53 A

ATOM 221 CA GLU A 24 -33 .025 67, .113 13, .679 o. .00 66. .93 A

ATOM 222 CB GLU A 24 -31 .708 67, .324 12, .928 o. .00 66 . .94 A

ATOM 223 CG GLU A 24 -30 .472 66. .912 13, .712 o, .00 66 .90 A

ATOM 224 CD GLU A 24 -30, .339 67. .657 15, .026 o. .00 66 . .88 A

ATOM 225 OE1 GLU A 24 -30, .240 68. .901 14. ."999 o. .00 66, .87 A

ATOM 226 OE2 GLU A 24 -30, .332 66. .997 16, .087 o. ,00 66. .87 A

ATOM 227 C GLU A 24 -34, .195 67. .511 12. .786 o. .00 66. .50 A

ATOM 228 O GLU A 24 -34. .416 68. ,695 12. ,529 o. .00 66. .47 A

ATOM 229 N THR A 25 -34. .941 66. ,517 12. .316 o. ,oo 65. ,97 A

ATOM 230 CA THR A 25 -36. .090 66. ,763 11. ,452 o. .00 65. .41 A

ATOM 231 CB THR A 25 -36. ,451 65. ,508 10. .633 o. oo 65. ,42 A

ATOM 232 OG1 THR A 25 -37. ,588 65. 786 9. ,806 o. oo 65. ,39 A

ATOM 233 CG2 THR A 25 -36. ,776 64. ,344 11. ,558 o. ,oo 65. ,39 A

ATOM 234 C THR A 25 -37. ,306 67. 175 12. ,276 o. oo 65. ,02 A

ATOM 235 O THR A 25 -38. 328 67. 588 11. 728 o. oo 64. 98 A

ATOM 236 N ILE A 26 -37. ,185 67. 059 13. ,594 o. oo 64. ,54 A

ATOM 237 CA ILE A 26 -38. 270 67. 415 14. 499 o. oo 64. ,04 A

ATOM 238 CB ILE A 26 -38. 328 66. 451 15. 702 o. oo 64. 02 A

ATOM 239 CG2 ILE A 26 -39. ,537 66. 774 16. 570 o. oo 63. ,99 A

ATOM 240 CGI ILE A 26 -38. 407 65. 005 15. 205 o. oo 63. 98 A

ATOM 241 CD1 ILE A 26 -38. 377 63. 971 16. 312 o. oo 63. 95 A

ATOM 242 C ILE A 26 -38. 083 68. 836 15. 021 o. oo 63. 72 A

ATOM 243 O ILE A 26 -39. 053 69. 570 15. 215 o. oo 63. 68 A

ATOM 244 N LYS A 27 -36. 830 69. 218 15. 244 0. oo 63. 32 A

ATOM 245 CA LYS A 27 -36. 509 70. 549 15. 743 o. oo 62. 92 A

ATOM 246 CB LYS A 27 -35. 065 70. 589 16. 248 o. oo 62. 86 A

ATOM 247 CG LYS A 27 -34. 778 69. 623 17. 387 o. oo 62. 75 A

ATOM 248 CD LYS A 27 -33. 334 69. 728 17. 850 0. 00 62. 67 A

ATOM 249 CE LYS A 27 -33. 051 68. 773 18. 998 o. oo 62. 63 A

ATOM 250 NZ LYS A 27 -31. 643 68. 873 19. 470 o. 00 62. 59 A

ATOM 251 C LYS A 27 -36. 701 71. 601 14. 656 o. oo 62. 68 A

ATOM - 252 O LYS A 27 -36. 568 72. 799 14. 907 o. oo 62. 65 A

ATOM 253 N SER A 28 -37. 012 71. 145 13. 447 0. oo 62. 40 A

ATOM 254 CA SER A 28 -37. 224 72. 044 12. 319 o. oo 62. 12 A

ATOM 255 CB SER A 28 -36. 251 71. 707 11. 187 o. oo 62. 11 A

ATOM 256 OG SER A 28 -34. 906 71. 844 11. 612 o. oo 62. 06 A ATOM 257 C SER A 28 -38.658 71.946 11.810 o .00 61.95 A

ATOM 258 O SER A 28 -39 .111 72 .791 11 .037 o .00 61 .92 A

ATOM 259 N ALA A 29 -39 .366 70 .910 12 .247 o .00 61 .75 A

ATOM 260 CA ALA A 29 -40 .749 70 .699 11 .839 o .00 61 .56 A

ATOM 261 CB ALA A 29 -41 .047 69 .207 11 .759 o .00 61 .55 A

ATOM 262 C ALA A 29 -41 .704 71 .371 12 .818 o .00 61 .44 A

ATOM 263 O ALA A 29 -42 .627 72 .080 12 .415 0 .00 61 .41 A

ATOM 264 N LEU A 30 -41 .476 71 .144 14 .108 o .00 61 .30 ^• A

ATOM 265 CA LEU A 30 -42 .311 71 .727 15 .151 o .00 61 .18 ^• A

ATOM 266 CB LEU A 30 -42 .194 70 .907 16 .438 o .00 61 .12 A

ATOM 267 CG LEU A 30 -42 .653 69 .448 16 .363 o .00 61 .07 A

ATOM 268 CD1 LEU A 30 -42 .337 68 .743 17 .671 o .00 61 .03 A

ATOM 269 CD2 LEU A 30 -44 .144 69 .392 16 .069 0 .00 61 .03 A

ATOM 270 C LEU A 30 -41 .904 73 .171 15 .422 o .00 61 .14 A

ATOM 271 O LEU A 30 -42 .457 73 .827 16 .305 o .00 61 .13 A

ATOM 272 N LEU A 31 -40 .933 73 .658 14 .656 o .00 61 .11 A

ATOM 273 CA LEU A 31 -40 .446 75 .024 14 .807 o .00 61 .10 A

ATOM 274 CB LEU A 31 -38 .993 75 .119 14 .332 0 .00 61 .04 A

ATOM 275 CG LEU A 31 -38 .319 76 .490 14 .439 o .00 60 .99 A

ATOM 276 CD1 LEU A 31 -38 .237 76 .912 15 .898 0 .00 60 .96 A

ATOM 277 CD2 LEU A 31 -36 .930 76 .423 13 .826 o .00 60 .96 A

ATOM 278 C LEU A 31 -41 .309 75 .994 14 .009 0 .00 61 .13 A

ATOM 279 O LEU A 31 -41 .522 77 .135 14 .421 0 .00 61 .12 A

ATOM 280 N THR A 32 -41 .804 75 .532 12 .865 0 .00 61, .19 A

ATOM 281 CA THR A 32 -42 .643 76 .355 12 .003 o .00 61, .27 A

ATOM 282 CB THR A 32 -42. .429 76. .002 10 .518 o .00 61, .24 A

ATOM 283 OG1 THR A 32 -42, .76.0 74, .625 10, .301 o, .00 61. .22 A

ATOM 284 CG2 THR A 32 -40, .981 76 .239 10 .119 o .00 61, .22 A

ATOM 285 C THR A 32 -44, .121 76, .178 12, .336 o. .00 61. .35 A

ATOM 286 O THR A 32 -44, .957 76, .991 11, .943 o, .00 61. .35 A

ATOM 287 ^' N ALA A 33 -44, .436 75, .110 13. .062 o. .00 61. .47 A

ATOM 288 CA ALA A 33 -45. ,813 74. .825 13. .449 o. .00 61. .60 A

ATOM 289 CB ALA A 33 -45. .886 73, .476 14, .153 o, .00 61. .58 A

ATOM 290 C ALA A 33 -46. .358 75, .921 14. .357 o. .00 61. .71 A

ATOM 291 O ALA A 33 -47. ,521 76. .309 14. .250 o. .00 61. ,72 A

ATOM 292 N TYR A 34 -45. ,509 76. ,416 15. ,252 o. ,oo 61. 86 • A

ATOM 293 CA TYR A 34 -45. 898 77. ,468 16. ,183 o. ,oo 62. 02 A

ATOM 294 CB TYR A 34 -.44. 866 77. 580 17. ,309 o. ,oo 61. 98 A

ATOM 295 CG TYR A 34 -45. ,120 78. ,-721 18. ,269 o. ,oo 61. 96 A

ATOM 296 CD1 TYR A 34 -46. 308 78. ,798 18. ,995 o. ,oo 61. 95 A

ATOM 297 CE1 TYR A 34 -46. 547 79. 850 19. ,877 o. oo 61. 94 A

ATOM 298 CD2 TYR A 34 -44. 173 79. 729 18. 448 o. oo 61. 95 A

ATOM 299 CE2 TYR A 34 -44. 401 80. 785 19. 328 o. oo 61. 94 A

ATOM 300 CZ TYR A 34 -45. 590 80. 839 20. ,038 o. oo 61. 94 A

ATOM 301 OH TYR A 34 -45. 820 81. 880 20. 907 o. oo 61. 94 A

ATOM 302 C TYR A 34 -46. 030 78. 811 15. 473 o. oo 62. 15 A

ATOM 303 O TYR A 34 -46. 797 79. 676 ^' 15. 897 o. oo 62. 16 A

ATOM 304 N ARG A 35 -45. 278 78. 978 14. 390 o. oo 62. 32 A

ATOM 305 CA ARG A 35 -45. 305 80. 217 13. 621 o.oo 62. 50 A

ATOM 306 CB ARG A 35 -44. 006 80. 365 12. 827 o. 00 62. 51 A

ATOM 307 CG ARG A 35 -42. 756 80. 350 13. 692 o. oo 62. 53 A

ATOM 308 CD ARG A 35 -41. 493 80. 443 12. 853 o. oo 62. 55 A

ATOM 309 NE ARG A 35 -40. 289 80. 379 13. 678 0. oo 62. 56 A

ATOM 310 CZ ARG A 35 -39. 050 80. 416 13. 198 o. oo 62. 56 A

ATOM 311 NH1 ARG A 35 -38. 845 80. 518 11. 892 o. oo 62. 57 A

ATOM 312 NH2 ARG A 35 -38. 015 80. 350 14. 024 o. oo 62. 57 A

ATOM 313 C ARG A 35 -46. 500 80. 254 12. 673 o. oo 62. 63 A

ATOM 314 O ARG A 35 -46. 576 81. 105 11. 787 o. oo 62. 64 A

ATOM 315 N HIS A 36 -47. 431 79. 325 12. 866 o. oo 62. 78 A

ATOM 316 CA HIS A 36 -48. 627 79. 248 12. 036 o. oo 62. 94 A

ATOM 317 CB HIS A 36 -48. 687 77. 896 11. 318 o. oo 62. 97 A ATOM 318 CG HIS A 36 -47.613 77.706 10.291 o .00 63.01 A

ATOM 319 CD2 HIS A 36 -46 .649 78 .544 9 .841 0 .00 63 .02 A

ATOM 320 ND1 HIS A 36 -47 .457 76 .531 9 .588 0 .00 63 .02 A

ATOM 321 CE1 HIS A 36 -46 .444 76 .654 8 .749 0 .00 63 .04 A

ATOM 322 NE2 HIS A 36 -45 .936 77 .866 8 .883 o .00 63 .04 A

ATOM 323 C HIS A 36 -49 .885 79 .438 12 .876 o .00 63 .03 A

ATOM 324 O HIS A 36 -50 .972 79 .657 12 .342 o .00 63 .05 A

ATOM 325 N THR A 37 -49 .729 79 .354 14 .193 o .00 63 .14 A

ATOM 326 CA THR A 37 -50 .849 79 .517 15 .112 o .00 63 .24 A

ATOM 327 CB THR A 37 -50 .794 78 .474 16 .246 o .00 63 .26 A

ATOM 328 OG1 THR A 37 -51 .891 78 .684 17 .145 o .00 63 .28 A

ATOM 329 CG2 THR A 37 -49 .486 78 .589 - 17 .013 o .00 63 .28 A

ATOM 330 C THR A 37 -50 .845 80 .912 15 .729 o .00 63 .29 A

ATOM 331 O THR A 37 -49 .857 81 .640 15 .633 o .00 63 .31 A

ATOM 332 N GLN A 38 -51 .955 81 .277 16 .362 o .00 63 .35 A

ATOM 333 CA GLN A 38 -52 .080 82 .584 16 .997 o .00 63 .39 A

ATOM 334 CB GLN A 38 -53 .542 ^■82 .855 17 .360 o .00 63 .45 A

ATOM 335 CG GLN A 38 -54 .146 81 .835 18 .311 o .00 63 .53 A

ATOM 336 CD GLN A 38 -55 .582 82 .157 18 .676 o .00 63 .57 A

ATOM 337 OE1 GLN A 38 -55 .868 83 .209 19 .248 o .00 63 .60 A

ATOM 338 NE2 GLN A 38 -56 .494 81 .250 18 .346 o .00 63 .60 A

ATOM 339 C GLN A 38 -51 .218 82 .667 18 .251 0 .00 63 .37 A

ATOM 340 O GLN A 38 -50 .535 81 .707 18 .611 o. .00 63 .38 A TOM^' 341 N GLY A 39 -51 .254 83. .819 18 .913 o. .00 63 .34 A

ATOM 342 CA GLY A 39 -50 .472 84, .005 20 .121 o. .00 63 .27 A

ATOM 343 C GLY A 39 -48 .978 83, .952 19 .864 o, .00 63 .22 A

ATOM 344 O GLY A 39 -48 .194 83, .672 20. .770 o. .00 63 .23 A

ATOM 345 N HIS A 40 -48 .584 84, .223 18. .624 o. .00 63 .14 A

ATOM 346 CA HIS A 40 -47 .176 84, .206 18, .247 o. .00 63 .03 A

ATOM 347 CB HIS A 40 -47, .027 83, .779 16, .784 o. .00 63 .14 A

ATOM 348 CG HIS A 40 -47, .769 84. .653 15, .821 o. .00 63 .23 A

ATOM 349 CD2 HIS A 40 -47. .334 85. .404 14, .781 o. .00 63 .27 A

ATOM 350 ND1 HIS A 40 -49. .136 84. .823 15, ,871 o. .00 63 .27 A

ATOM 351 CE1 HIS A 40 -49. .511 85. .641 14. ,904 0. .00 63, .30 A

ATOM 352 NE2 HIS A 40 -48. .437 86. ,008 14. .228 0. .00 63, .30 A

ATOM 353 C HIS A 40 -46. .535 85. ,575 18. .451 o. .00 62. .88 A

ATOM 354 O HIS A 40 -47. ,229 86. ,582 18. ,584 o. ,oo 62, .89 A

ATOM 355 N GLN A 41 -45. ,206 85. ,601 18. ,475 o. ,00 62. .67 A

ATOM 356 CA GLN A 41 -44. ,462 86. ,841 18. ,665 0. .00 62. .43 A

ATOM 357 CB GLN A 41 -43. ,928 86. ,922 20. ,097 0. ,oo 62. .53 A

ATOM 358 CG GLN A 41 -45. ,005 86. ,997 21. ,169 o. oo 62. ,62 A

ATOM 359 CD GLN A 4l^' -45. ,788 88. 295 21. ,123 o. oo 62. .67 A

ATOM 360 OE1 GLN A 41 -46. .453 88. 600 20. ,133 o. oo 62. .70 A

ATOM 361 NE2 GLN A 41 -45. .710 89. 070 22. ,199 o. oo 62. ,70 A

ATOM 362 C GLN A 41 -43. 297 86. 930 17. 684 o. oo 62. ,19 A

ATOM 363 O GLN A 41 -43. 002 85. 973 16. 968 o. oo 62. ,19 A

ATOM 364 N THR A 42 -42. 639 88. 084 17. 659 o. oo 61. ,87 A

ATOM 365 CA THR A 42 -41. 501 88. 298 16. 773 o. oo 61. ,52 A

ATOM 366 CB THR A 42 -41. 179 89. 798 16. 629 o. oo 61. ,57 A

ATOM 367 OG1 THR A 42 -40. 867 90. 347 17. 916 0. 00 61. ,59 A

ATOM 368 CG2 THR A 42 -42. 366 90. 543 16. 040 0. oo 61. ,59 A

ATOM 369 C THR A 42 -40. 273 87. 586 17. 328 0. oo 61. .22- A

ATOM 370 O THR A 42 -39. 915 87. 769 18. 492 0. oo 61. 21 A

ATOM 371 N ASP A 43 -39. 634 86. 775 16. 490 o. oo 60. 83 A

ATOM 372 CA ASP A 43 -38. 447 86. 024 16. 888 o. oo 60. 39 A

ATOM 373 CB ASP A 43 -37. 371 86. 973 17. 427 o. oo 60. 47 A

ATOM 374 CG ASP A 43 -36. 920 87. 991 16. 396 o. oo 60. 49 A

ATOM 375 ODl ASP A 43 -36. 065 88. 837 16. 730 o. oo 60. 52 A

ATOM 376 OD2 ASP A 43 -37. 419 87. 944 15. 252 o. oo 60. 52 A

ATOM 377 C ASP A 43 -38. 792 84. 985 17. 950 o. oo 60. 03 A

ATOM 378 O ASP A 43 -39. 441 85. 295 18. 949 o. oo 60. 02 A ATOM 379 N ALA A 44 -38.357 83.749 17.727 o .00 59.57 A

ATOM 380 CA ALA A 44 -38 .623 82 .665 18 .666 o .00 59 .06 A

ATOM 381 CB ALA A 44 -40 .076 82 .219 18 .547 o .00 59 .11 A

ATOM 382 C ALA A 44 -37 .692 81 .484 18 .418 o .00 58 .68 A

ATOM 383 O ALA A 44 -37 .243 81 .260 17 .294 o .00 58 .66 A

ATOM 384 N ARG A 45 -37 .407 80 .732 19 .476 o .00 58 .19 A

ATOM 385 CA ARG A 45 -36 .531 79 .570 19 .378 o .00 57 .66 A

ATOM 386 CB ARG A 45 -35 .157 79 .893 19 .972 o .00 57 .72 A

ATOM 387 CG ARG A 45 -35 .181 80 .234 21 .454 o .00 57 .74 A

ATOM 388 CD ARG A 45 -33 .790 80 .587 21 .959 0 .00 57 .78 A

ATOM 389 NE ARG A 45 -33 .779 80 .882 23 .390 o .00 57 .80 A

ATOM 390 CZ ARG A 45 -34 .075 80 .000 24 .339 o .00 57 .82 A

ATOM 391 NH1 ARG A 45 -34 .407 78 .757 24 .014 o .00 57 .83 A

ATOM 392 NH2 ARG A 45 -34 .038 80 .359 25 .615 o .00 57 .83 A

ATOM 393 C ARG A 45 -37 .139 78 .376 20 .106 o .00 57 .24 A

ATOM 394 O ARG A 45 -37 .784 78 .533 21 .142 o .00 57 .21 A

ATOM 395 N ILE A 46 -36 .929 77 .184 19 .557 o .00 56 .71 A

ATOM 396 CA ILE A 46 -37 .457 75 .964 20 .154 o .00 56 .15 A

ATOM 397 CB ILE A 46 -38 .585 75 .361 19 .286 o .00 56 .18 A

ATOM 398 CG2 ILE A 46 -39 .145 74 .111 19 .952 o .00 56 .17 A

ATOM 399 CGI ILE A 46 -39 .693 76 .396 19 .074 0 .00 56 .16 A

ATOM 400 CD1 ILE A 46 -40 .345 76 .882 20 .355 0 .00 56 .17 A

ATOM 401 C ILE A 46 -36 .356 7 .921 20 .317 0 .00 55 .74 A

ATOM 402 O ILE A 46 -35 .640 74, .607 19 .367 o .00 55 .71 A

ATOM 403 N GLU A 47 -36 .227 74, .389 21 .528 o .00 55 .22 A

ATOM 404 CA GLU A 47 -35. .214 73, .382 21, .820 o, .00 54. .68 A

ATOM 405 CB GLU A 47 -34, .198 73, .931 22, .824 o, .00 54, .68 A

ATOM 406 CG GLU A 47 -33. .460 75. .170 22, .342 o. .00 54. .63 A

ATOM 407 CD GLU A 47 -32, .468 75, .691 23 .363 o. .00 54, .61 A

ATOM 408 OE1 GLU A 47 -32, .895 76. ,037 24. .485 o. .00 54. .60 A

ATOM 409 OE2 GLU A 47 -31, .263 75. .756 23 .044 0, .00 54, .60 A

ATOM 410 C GLU A 47 -35. .856 72. ,115 22, .375 o. .00 54. .29 A

ATOM 411 O GLU A 47 -36, .026 71. .972 23 .586 0, .00 54, .26 A

ATOM 412 N ILE A 48 -36. .209 71. .198 21, ,480 o. ,00 53. .82 A

ATOM 413 CA ILE A 48 -36. ,836 69 . .941 21. .871 o. .00 53. .32 A

ATOM 414 CB ILE A 48 -37. ,445 69. ,224 20, .648 0. ,00 53. .31 A

ATOM 415 CG2 ILE A 48 -38. ,196 67. ,978 21. .097 0. ,00 53. ,28 A

ATOM 416 CGI ILE A 48 -38. ,390 70. ,173 19. .907 o. .00 53. ,28 A

ATOM 417 GDI ILE A 48 -38. ,965 69. ,597 18. .630 o. ,00 53. ,26 A

ATOM 418 C ILE A 48 -35. ,816 69. ,012 22. ,523 o. ,00 52. ,99 A

ATOM 419 O ILE A 48 -34. ,717 68. ,820 22. .002 o. ,00 52. ,95 A

ATOM 420 N ASP A 49 -36. ,186 68. ,439 23. .664 o. .00 52. ,58 A

ATOM 421 CA ASP A 49 -35. 301 67. 532 24. .385 o. ,00 52. ,17 A

ATOM 422 CB ASP A 49 -35. ,839 67. ,283 25, .797 o. .00 52. .13 A

ATOM 423 CG ASP A 49 -34. 817 66 . 625 26. .703 o. oo 52. ,07 A

ATOM 424 ODl ASP A 49 -34. ,340 65. ,521 26, .367 0. .00 52. ,05 A

ATOM 425 OD2 ASP A 49 -34. 489 67. 215 27. 755 o. oo 52. 05 A

ATOM 426 C ASP A 49 -35. 188 66. 211 23. ,628 o. oo 51. 90 A

ATOM 427 o ASP A 49 -36. 184 65. 685 23. 130 o. oo 51. 87 A

ATOM 428 N ARG A 50 -33. 973 65. 679 23. 546 o. oo 51. 59 A

ATOM 429 CA ARG A 50 -33. 726 64. 426 22. 840 o. oo 51. 28 A

ATOM 430 CB ARG A 50 -32. 277 64. 379 22. 348 o. oo 51. 16 A

ATOM 431 CG ARG A 50 -31. 897 65. 514 21. 413 o. oo 50. 99 A

ATOM 432 CD ARG A 50 -30. 441 65. 408 20. 990 o. oo 50. 85 A

ATOM 433 NE ARG A 50 -30. 045 66. 497 20. 101 o. oo 50. 72 A

ATOM 434 CZ ARG A 50 -28. 824 66. 641 19. 596 o. oo 50. 66 A

ATOM 435 NH1 ARG A 50 -27. 874 65. 764 19. ,890 0. oo 50. 62 A

ATOM 436 NH2 ARG A 50 -28. 552 67. 663 18. 796 o. oo 50. 62 A

ATOM 437 C ARG A 50 -34. 004 63. 200 23. .704 0. 00 51. 15 A

ATOM 438 O ARG A 50 -33. 588 62. 091 23. 369 o. oo 51. 12 A

ATOM 439 N LYS A 51 -34. 709 63. 400 24. 813 o. oo 51. oo A ATOM 440 CA LYS A 51 -35.032 62.301 25.716 o .00 50.86 A

ATOM 441 CB LYS A 51 -34 .323 62 .498 27 .059 o .00 50 .77 A

ATOM 442 CG LYS A 51 -32 .806 62 .569 26 .964 o .00 50 .65 A

ATOM 443 CD LYS A 51 -32 .215 61 .267 26 .443 o .00 50 .55 A

ATOM 444 CE LYS A 51 -30 .697 61 .339 26 .377 o .00 50 .50 A

ATOM 445 NZ LYS A 51 -30 .099 60 .064 25 .894 o .00 50 .45 A

ATOM 446 C LYS A 51 -36 .535 62 .190 25 .944 o .00 50 .84 A

ATOM 447 O LYS A 51 -37 .168 61 .224 25 .516 o .00 50 .82 A

ATOM 448 N THR A 52 -37 .100 63 .184 26 .621 o .00 50 .84 A

ATOM 449 CA THR A 52 -38 .529 63 .201 26 .913 o .00 50 .85 A

ATOM 450 CB THR A 52 -38 .863 , 64 .259 27 .981 o .00 50 .80 A

ATOM 451 OG1 THR A 52 -38 .468 65 .554 27 .513 o .00 50 .77 A

ATOM 452 CG2 THR A 52 -38 .132 63 .951 29 .279 o .00 50 .77 A

ATOM 453 C THR A 52 -39 .353 63 .496 25 .665 o .00 50 .92 A

ATOM 454 O THR A 52 -40 .415 62 .908 25 .459 o .00 50 .90 - A

ATOM 455 N GLY A 53 -38 .858 64 .408 24 .835 o .00 51 .02 A

ATOM 456 CA GLY A 53 -39 .568 64 .763 23 .620 o .00 51 .18 A

ATOM 457 C GLY A 53 -40 .589 65 .858 23 .857 o .00 51 .31 A

ATOM 458 O GLY A 53 -41 .342 66 .221 22 .954 o .00 51 .30 A

ATOM 459 N VAL A 54 -40 .615 66 .383 25 .077 o .00 51 .48 A

ATOM 460 CA VAL A 54 -41 .547 67 .445 25 .437 o .00 51 .67 A

ATOM 461 - CB VAL A 54 -41 .453 67 .784 26, .940 o .00 51 .62 A

ATOM 462 CGI VAL A 54 -42 .488 68 .837 27, .302 .0. .00 51 .59 A

ATOM 463 CG2 VAL A 54 -41 .657 66 .527 27, .769 o. .00 51 .59 A

ATOM 464 C VAL A 54 -41 .247 68, .704 24. .630 o. .00 51, .87 A

ATOM 465 O VAL A 54 -40, .109 69, .173 24. .596 o. .00 51, .87 A

ATOM 466 N VAL A 55 -42, .273 69, .245 23. ,982 o. .00 52, .14 A

ATOM 467 CA VAL A 55 -42, .116 70. .446 23. ,171 o. .00 52. .44 A

ATOM 468 CB VAL A 55 -43. .012 70. .389 21. .915 o. .00 52, .39 A

ATOM 469 CGI VAL A 55 -42. .742 71. .594 21. .028 o. .00 52, .36 A

ATOM 470 CG2 VAL A 55 -42. .759 69. ,098 21. .155 o. .00 52, .36 A

ATOM 471 C VAL A 55 -42. .465 71. .703 23. .962 o. .00 52. .70 A

ATOM 472 O VAL A 55 -43. .636 72. .051 24. .109 o. .00 52. .71 A

ATOM 473 N ARG A 56 -41. .439 72. ,379 24. .470 o. .00 53. .05 A

ATOM 474 CA ARG A 56 -41. .631 73. .602 25. ,241 o. .00 53. .44 A

ATOM 475 CB ARG A 56 -40. .559 73. ,720 26. ,328 o. ,oo 53. .33 A

ATOM 476 CG ARG A 56 -39. .141 73. ,494 25. ,828 o. ,oo 53. .22 A

ATOM 477 CD ARG A 56 -38. .129 74. ,269 26. ,657 o. ,oo 53. .12 A

ATOM 478 NE ARG A 56 -38. ,254 74. ,005 28. ,087 0. .00 53. .04 A

ATOM 479 CZ ARG A 56 -37. ,524 74. ,608 29. ,020 0. ,oo 53. .00 A

ATOM 480 NH1 ARG A 56 -36. ,615 75. ,509 28. .673 0. oo 52. .97 A

ATOM 481 NH2 ARG A 56 -37. ,704 74. ,314 30. ,301 o. oo 52. .97 A

ATOM 482 C ARG A 56 -41. ,576 74. ,829 24. ,338 o. oo 53. ,80 A

ATOM 483 O ARG A 56 -40. ,512 75. ,197 23. ,838 o. 00 53. ,81 A

ATOM 484 N VAL A 57 -42. ,727 75. ,461 24. ,132 o. 00 54. ,26 A

ATOM 485 CA VAL A 57 -42. ,805 ■76. ,648 23. 289 o. 00 54. ,76 A

ATOM 486 CB VAL A 57 -44. 271 77. 038 23. 009 o. oo 54. 71 A

ATOM 487 CGI VAL A 57 -44. 321 78. 223 22. 058 o. oo 54. 71 A

ATOM 488 CG2 VAL A 57 -45. 021 75. 852 22. 424 o. oo 54. 71 A

ATOM 489 C VAL A 57 -42. 105 77. 825 23. 961 o. oo 55. 15 A

ATOM 490 O VAL A 57 -42. 394 78. 156 25. 111 o. oo 55. 17 A

ATOM 491 N ILE A 58 -41. 183 78. 452 23. 238 o. oo 55. 65 A

ATOM 492 CA ILE A 58 -40. 441 79. 591 23. 763 o. oo 56. 18 A

ATOM 493 CB ILE A 58 -38. 949 79. 244 23. 950 o. oo 56. 14 A

ATOM 494 CG2 ILE A 58 -38. 212 80. 427 24. 563 o. oo 56. 15 A

ATOM 495 CGI ILE A 58 -38. 810 78. 011 24. 847 o. oo 56. 15 A

ATOM 496 CD1 ILE A 58 -37. 381 77. 540 25. 029 o. oo 56. 14 A

ATOM 497 C ILE A 58 -40. 551 80. 784 22. 819 o. oo 56. 58 A

ATOM 498 O ILE A 58 -39. 838 80. 864 21. 819 o. oo 56. 61 A

ATOM 499 N ALA A 59 -41. 449 81. 709 23. 143 o. oo 57. 09 A

ATOM 500 CA ALA A 59 -41. 655 82. 897 22. 324 o. oo 57. 63 A ATOM 501 CB ALA A 59 -43.146 83.178 22.181 o .00 57.60 A

ATOM 502 C ALA A 59 -40.950 84.109 22.923 o .00 58 .03 A

ATOM 503 O ALA A 59 -41.463 84.747 23.842 o .00 58 .06 A

ATOM 504 N ARG A 60 -39.771 84.420 22.395 o .00 58 .52 A

ATOM 505 CA ARG A 60 -38.992 85.557 22.872 0 .00 59 .03 A

ATOM 506 CB ARG A 60 -37.509 85.346 22.556 0 .00 59 .07 A

ATOM 507 CG ARG A 60 -37.215 85.109 21.083 o .00 59 .17 A

ATOM 508 CD ARG A 60 -35.739 84.824 20.853 o .00 59 .24 A

ATOM 509 NE ARG A 60 -35.450 84.532 19.452 o .00 59 .31 A

ATOM 510 CZ ARG A 60 -34.245 84.219 18.987 0 .00 59 .34 A

ATOM 511 NH1 ARG A 60 -33.208 84.157 19.812 0 .00 59 .36 A

ATOM 512 NH2 ARG A 60 -34.076 83.967 17.696 o .00 59 .36 A

ATOM 513 C ARG A 60 -39.479 86.852 22.232 o .00 59 .37 A

ATOM 514 O ARG A 60 -39.983 86.848 21.109 o .00 59 .40 A

ATOM 515 N GLU A 61 -39.327 87.958 22.953 o .00 59 .78 A

ATOM 516 CA GLU A 61 -39.754 89.260 22.456 o .00 60 .20 A

ATOM 517 CB GLU A 61 -40.850 89.831 23.360 o .00 60 .24 A

ATOM 518 CG GLU A 61 -41.439 91.145 22.876 o .00 60 .34 A

ATOM 519 CD GLU A 61 -42.539 91.659 23.784 0. .00 60 .39 A

ATOM 520 OE1 GLU A 61 -43.537 90.933 23.980 0. .00 60 .42 A

ATOM 521 OE2 GLU A 61 -42.407 92.788 24.301 0, .00 60 .42 A

ATOM 522 C GLU A 61 -38.577 90.227 22.394 0 .00 60 .45 A

ATOM 523 O GLU A 61 -38.338 90.993 23.328 0. .00 60 .49 A

ATOM 524 N THR A 62 -37.844 90.187 21.285 o. .00 60, .76 A

ATOM 525 CA THR A 62 -36.689 91.055 21.095 0, .00 61 .07 A

ATOM 526 CB THR A 62 -35.378 90.243 21.088 0, .00 61 .09 A

ATOM 527 OG1 THR A 62 -34.272 91.119 20.837 o. .00 61, .14 A

ATOM 528 CG2 THR A 62 -35.424 89.167 20.013 o. .00 61, .14 A

ATOM 529 C THR A 62 -36.788 91.830 19.786 o. .00 61. .25 A

ATOM 530 O THR A 62 -37.423 91.379 18.832 o, .00 61, .28 A

ATOM 531 N ASP A 63 -36.155 92.998 19.747 0, .00 61, .46 A

ATOM 532 CA ASP A^' 63 -36.167 93.839 18.556 0. .00 61. .65 A

ATOM 533 CB ASP A 63 -36.191 95.318 18.956 0, .00 61. .73 A

ATOM 534 CG ASP A 63 -35.015 95.707 19.833 o, .00 61. .80 A

ATOM 535 ODl ASP A 63 -34.920 96.895 20.205 0. .00 61. .84 A

ATOM 536 OD2 ASP A 63 -34.188 94.827 20.152 0. .00 61. .84 A

ATOM 537 C ASP A 63 -34.949 93.560 17.681 o. .00 61. .73 A

ATOM 538 O ASP A 63 -34.376 94.475 17.089 0. .00 61. .76 A

ATOM 539 N GLU A 64 -34.564 92.290 17.606 0. .00 61. .80 A

ATOM 540 CA GLU A 64 -33.417 91.866 16.809 o. ,00 61. .86 A

ATOM 541 CB GLU A 64 -33.604 92.286 15.347 0. ,00 61. .97 A

ATOM 542 CG GLU A 64 -32.489 91.827 14.420 0. ,00 62. ,11 A

ATOM 543 CD GLU A 64 -32.724 92.238 12.980 0. ,00 62. ,19 A

ATOM 544 OE1 GLU A 64 -32.802 93.455 12.713 0. ,00 62. ,23 A

ATOM 545 OE2 GLU A 64 -32.830 91.343 12.115 o. ,00 62. ,23 A

ATOM 546 C GLU A 64 -32.114 92.446 17.351 0. oo 61. ,81 A

ATOM 547 O GLU A 64 -32.086 93.564 17.865 0. .00 61. ,83 A

ATOM 548 N ALA A 65 -31.037 91.675 17.232 o. .00 61. .72 A

ATOM 549 CA ALA A 65 -29.726 92.102 17.708 0. oo 61. 60 A

ATOM 550 CB ALA A 65 -29.235 93.291 16.888 0. oo 61. 64 A

ATOM 551 C ALA A 65 -29.778 92.471 19.187 0. oo 61. 48 A

ATOM 552 O ALA A 65 -29.855 93.647 19.543 0. oo 61. 50 A

ATOM 553 N GLY A 66 -29.738 91.456 20.044 0. oo 61. 31 A

ATOM 554 CA GLY A 66 -29.781 91.691 21.475 0. oo 61. 06 A

ATOM 555 C GLY A 66 -29.301 90.489 22.264 0. oo 60. 86 A

ATOM 556 O GLY A 66 -28.534 89.671 21.755 0. oo 60. 88 A

ATOM 557 N ASN A 67 -29.751 90.379 23.509 0. oo 60. 62 A

ATOM 558 CA ASN A 67 -29.360 89.265 24.363 0. oo 60. 33 A

ATOM 559 CB ASN A 67 -28.346 89.737 25.410 0. oo 60. 44 A

ATOM 560 CG ASN A 67 -27.556 88.592 26.017 0. oo 60. 50 A

ATOM 561 ODl ASN A 67 -28.123 87.676 26.613 o. oo 60. 54 A ATOM 562 ND2 ASN A 67 -26.238 88.641 25.868 o .00 60.54 A

ATOM 563 C ASN A 67 -30 .588 88 .675 25 .052 o .00 60 .06 A

ATOM 564 O ASN A 67 -30 .534 88 .287 26 .219 o .00 60 .06 A

ATOM 565 N LEU A 68 -31 .696 88 .618 24 .317 o .00 59 .68 A

ATOM 566 CA LEU A 68 -32 .950 88 .074 24 .832 o .00 59 .26 A

ATOM 567 CB LEU A 68 -32 .741 86 .633 25 .308 o .00 59 .37 A

ATOM 568 CG LEU A 68 -32 .149 85 .650 24 .294 o .00 59 .42 A

ATOM 569 GDI LEU A 68 -31 .924 84 .304 24 .964 o .00 59 .45 A

ATOM 570 CD2 LEU A 68 -33 .081 85 .508 23 .101 o .00 59 .45 A

ATOM 571 C LEU A 68 -33 .517 88 .911 25 .976 o .00 58 .89 A

ATOM 572 O LEU A 68 -32 .771 89 .530 26 .735 o .00 58 .89 A

ATOM 573 N ILE A 69 -34 .842 88 .925 26 .092 o .00 58 .40 A

ATOM 574 CA ILE A 69 -35 .512 89 .678 27 .147 o .00 57 .87 A

ATOM 575 CB ILE A 69 -36 .312 90 .880 26 .583 o .00 57 .95 A

ATOM 576 CG2 ILE A 69 -36 .996 91 .625 27 .719 o .00 57 .96 A

ATOM 577 CGI ILE A 69 -35 .386 91 .832 25 .823 o .00 57 .97 A

ATOM 578 CD1 ILE A 69 -34 .973 91 .337 24 .453 o .00 58 .01 A

ATOM 579 C ILE A 69 -36 .481 88 .783 27 .915 o .00 57 .42 A

ATOM 580 O ILE A 69 -36 .185 88 .338 29 .024 o .00 57 .41 A

ATOM 581 N SER A 70 -37 .639 88 .524 27 .315 o .00 56 .85 A

ATOM 582 CA SER A 70 -38 .657 87 .689 27 .940 o .00 56 .22 A

ATOM 583 CB SER A 70 -39 .896 88 .527 28 .264 o .00 56 .28 A

ATOM 584 OG SER A 70 -40 .909 87 .733 28 .856 o .00 56 .28 A

ATOM 585 C SER A 70 -39 .054 86 .518 27 .046 o .00 55 .73 A

ATOM 586 O SER A 70 -39 .072 86 .635 25 .821 o .00 55 .70 A

ATOM 587 N GLU A 71 -39 .372 85. .390 27 .672 o .00 55 .10 A

ATOM 588 CA GLU A 71 -39 .776 84, .190 26 .948 o .00 54 .43 A

ATOM 589 CB GLU A 71 -38, .584 83, .243 26 .790 o. .00 54 .50 A

ATOM 590 CG GLU A 71 -37, .422 83, .835 26, .008 o, .00 54. .52 A

ATOM 591 CD .GLU A 71 -36, .252 82. .879 25, .889 o, .00 54, .54 A

ATOM 592 OE1 GLU A 71 -35, .702 82, .477 26, .936 o. .00 54 .56 A

ATOM 593 OE2 GLU A 71 -35. .881 82. .529 24, .749 o, .00 54, .56 A

ATOM 594 C GLU A 71 -40, .902 83. ,482 27, .694 o. .00 53 , .90 A

ATOM 595 O GLU A 71 -40. .924 83. .458 28. .924 o. .00 53 , .86 A

ATOM 596 N TRP A 72 -41. ,836 82. .907 26. .943 o. ,00 53. .22 A

ATOM 597 CA TRP A 72 -42. ,968 82. ,205 27, ,534 o. .00 52. .50 A

ATOM 598 CB TRP A 72 -44. ,109 83. ,193 27. ,797 o. .00 52. .56 A

ATOM 599 CG TRP A 72 -44. ,441 84. .053 26. ,615 0. ,oo 52. ,57 A

ATOM 600 CD2 TRP A 72 -44. ,207 85. 461 26. 489 o. .00 52. ,58 A

ATOM 601 CE2 TRP A 72 -44. 654 85. 846 25. 206 o. ,oό 52. 58 A

ATOM 602 CE3 TRP A 72 -43. ,663 86. 436 27. ,337 o. .00 52. ,58 A

ATOM 603 CD1 TRP A 72 -45. ,004 83. 652 25. ,438 o. ,oo 52. ,58 A

ATOM 604 NE1 TRP A 72 -45. 135 84. 723 24. 586- o. .00 52. ,58 A

ATOM 605 CZ2 TRP A 72 -44. 573 87. 166 24. 748 o. .00 52. 59 A

ATOM 606 CZ3 TRP A 72 -43. 582 87. 749 26. 881 0. oo 52. 59 A

ATOM 607 CH2 TRP A 72 -44. 036 88. 100 25. 597 o. oo 52. 59 A

ATOM 608 C TRP A 72 -43. 457 81. 067 26. 646 o. oo 51. 95 A

ATOM 609 O TRP A 72 -42. 927 80. 844 25. 557 o. oo 51. 92 A

ATOM 610 N ASP A 73 -44. 472 80. 349 27. 118 o. oo 51. 26 A

ATOM 611 CA ASP A 73 -45. 031 79. 228 26. 372 o. oo 50. 53 A

ATOM 612 CB ASP A 73 -45. 063 77. 977 27. 254 o. oo 50. 56 A

ATOM 613 CG ASP A 73 -45. 559 76. 750 26. 513 o. oo 50. 54 A

ATOM 614 ODl ASP A 73 -46. 739 76. 734 26. 106 o. oo 50. 54 A

ATOM 615 OD2 ASP A 73 -44. 765 75. 803 26. 336 o. oo 50. 54 A

ATOM 616 C ASP A 73 -46. 436 79. 544 25. 869 o. oo 49. 98 A

ATOM 617 O ASP A 73 -47. 234 _ 80. 162 26. 574 o. oo 49. 94 A

ATOM 618 N ASP A 74 ' -46. 728 ^' 79. 116 24. 646 o. oo 49. 30 A

ATOM 619 CA ASP A 74 -48. 033 79. 348 24^'. 038 o. oo 48. 59 A

ATOM 620 CB ASP A 74 -47. 997 80. 619 23. 186 o. oo 48. 60 A

ATOM 621 CG ASP A 74 -49. 335 80. 931 22. 546 o. oo 48. 57 A

ATOM 622 ODl ASP A 74 -50. 309 81. 171 23. 289 o. oo 48. 57 A ATOM 623 OD2 ASP A 74 -49.412 80.935 21.300 o .00 48.57 A

ATOM 624 C ASP A 74 -48 .432 78 .160 23 .169 o .00 48 .07 A

ATOM 625 O ASP A 74 -47 .822 77 .908 22 .130 o .00 48 .03 A

ATOM 626 N THR A 75 -49 .458 77 .432 23 .599 o .00 47 .42 A

ATOM 627 CA THR A 75 -49 .931 76 .269 22 .857 0 .00 46 .75 A

ATOM 628 CB THR A 75 -49 .378 74 .963 23 .463 o .00 46 .76 A

ATOM 629 OG1 THR A 75 -47 .950 75 .043 23 .552 o .00 46 .73 A

ATOM 630 CG2 THR A 75 -49 .756 73 .772 22 .594 0 .00 46 .73 A

ATOM 631 C THR A 75 -51 .457 76 .199 22 .854 0 .00 46 .25 A

ATOM 632 O THR A 75 -52 .060 75 .558 23 .716 0 .00 46 .23 A

ATOM 633 N PRO A 16 -52 .101 76 .863 21 .881 o .00 45 .73 A

ATOM 634 CD PRO A 16 -51 .485 77 .719 20 .851 o .00 45 .62 A

ATOM 635 CA PRO A 76 -53 .562 76 .879 21 .761 o .00 45 .26 A

ATOM 636 CB PRO A 76 -53 .788 77 .642 20 .459 o .00 45 .35 A

ATOM 637 CG PRO A 76 -52 .640 78 .600 20 .439 o .00 45 .47 A

ATOM 638 C PRO A 76 -54 .159 75 .474 21 .716 0 .00 44 .81 A

ATOM 639 O PRO A 76 -53 .449 74 .497 21 .476 o .00 44 .77 A

ATOM 640 N GLU A 77 -55 .465 75 .378 21 .948 o .00 44 .27 A

ATOM 641 CA GLU A 77 -56 .149 74 .091 21 .928 o .00 43 .71 A

ATOM 642 CB GLU A 77 -57 .562 74 .227 22 .500 o .00 43 .68 A

ATOM 643 CG GLU A 77 -57 .607 74 .590 23 .975 o .00 43 .59 A

ATOM 644 CD GLU A 77 -59 .017 74 .593 24 .532 o .00 43 .55 A

ATOM 645 OE1 GLU A 77 -59 .848 75 .391 24 .050 o .00 43 .52 A

ATOM 646 OE2 GLU A 77 -59. .296 73 .792 25 .450 o. .00 43 .52 A

ATOM 647 C GLU A 77 -56, .222 73 .536 20 .511 o. .00 43 .34 A

ATOM 648 O GLU A 77 -56, .706 74, .204 19 .596 o, .00 43 .31 A

ATOM 649 N GLY A 78 -55, .740 72, .310 20. .336 o. .00 42 .92 A

ATOM 650 CA GLY A 78 -55. .758 71, .688 19, .026 o. .00 42. .38 A

ATOM 651 C GLY A 78 -54. .526 72, .032 18, .213 o. .00 42, .00 A

ATOM 652 O GLY A 78 -54. ,505 71. .851 16, .995 0. .00 41, .97 A

ATOM 653 N PHE A 79 -53, .496 72. .530 18, .889 0. .00 41. .61 A

ATOM 654 CA PHE A 79 -52. .251 72. ,903 18, .229 0. .00 41, .21 A

ATOM 655 CB PHE A 79 -51. .279 73. .512 19, .243 0. .00 41, .11 A

ATOM 656 CG PHE A 79 -49. ,949 73. .892 18. .656 0. .00 40, .99 A

ATOM 657 CD1 PHE A 79 -49. ,863 74. ,856 17. .658 o. ,oo 40. .94 A

ATOM 658 CD2 PHE A 79 -4a . ,780 73. ,280 19. ,098 0. oo 40. .94 A

ATOM 659 CE1 PHE A 79 -48. 633 75. ,206 17. ,107 0. .00 40. .90 A

ATOM 660 CE2 PHE A 79 -47. 545 73. 623 18. ,554 0. oo 40. ,90 A

ATOM 661 CZ PHE A 79 -47. 471 74. 588 17. 556 0. oo 40. ,89 A

ATOM 662 C PHE A 79 -51. 603 71. 695 17. ,561 0. oo 40. ,98 A

ATOM 663 O PHE A 79 -51. 665 71. 540 16. ,341 o. oo 40. .95 A

ATOM 664 N GLY A 80 -50. 979 70. 843 18. ,369 o. oo 40. ,74 A

ATOM 665 CA GLY A 80 -50. 329 69. 659 17. .837 0. oo 40. ,43 A

ATOM 666 C GLY A 80 -51. 326 68. 608 17. 392 o. oo 40. ,23 A

ATOM 667 O GLY A 80 -51. 590 67. 645 18. 112 o. oo 40. 21 A

ATOM 668 N ARG A 81 -51. 882 68. 795 16. 199 o. oo 40. 03 A

ATOM 669 CA ARG A 81 -52. 860 67. 863 15. 653 o. oo 39. 84 A

ATOM 670 CB ARG A 81 -54. 191 68. 007 16. 396 o. oo 39. 72 A

ATOM 671 CG ARG A 81 -55. 274 67. 041 15. 944 o. oo 39. 56 A

ATOM 672 CD ARG A 81 -54. 912 65. 602 16. 275 o. oo 39. 43 A

ATOM 673 NE ARG A 81 -55. 954 64. 669 15. 854 o. oo 39. 32 A

ATOM 674 CZ ARG A 81 -55. 919 63. 359 16. 075 o. oo 39. 26 A

ATOM 675 NH1 ARG A 81 -54. 892 62. 817 16. 715 o. oo 39. 23 A

ATOM 676 NH2 ARG A 81 -56. 913 62. 590 15. 653 0. oo 39. 23 A

ATOM 677 C ARG A 81 -53. 070 68. 132 14. 168 0. oo 39. 78 A

ATOM 678 O ARG A 81 -53. 546 67. 269 13. 430 0. oo 39. 76 A

ATOM 679 N ILE A 82 -52. 708 69. 336 13. 736 o. oo 39. 74 A

ATOM 680 CA ILE A 82 -52. 862 69. 728 12. 341 o. oo 39. 70 A

ATOM 681 CB ILE A 82 -53. 880 70. 879 12. 202 o. oo 39. 65 A

ATOM 682 CG2 ILE A 82 -54. 331 71. 003 10. 753 0. oo 39. 61 A

ATOM 683 CGI ILE A 82 -55. 094 70. 610 13. 093 0. oo 39. 60 A ATOM 684 CD1 ILE A 82 -56.089 71.751 13.137 0.00 39.56 A

ATOM 685 C ILE A 82 -51 .523 70 .187 11 .768 0 .00 39 .74 A

ATOM 686 O ILE A 82 -51 .434 70 .575 10 .603 0 .00 39 .72 A

ATOM 687 N ALA A 83 -50 .484 70 .140 12 .596 0 .00 39 .81 A

ATOM 688 CA ALA A 83 -49 .150 70 .552 12 .176 0 .00 39 .90 A

ATOM 689 CB ALA A 83 -48 .878 71 .979 12 .636 0 .00 39 .87 A

ATOM 690 C ALA A 83 -48 .087 69 .612 12 .732 o .00 39 .99 A

ATOM 691 O ALA A 83 -47 .139 69 .249 12 .034 o .00 39 .98 A

ATOM 692 N ALA A 84 -48 .250 69 .221 13 .991 o .00 40 .13 A

ATOM 693 CA ALA A 84 -47 .305 68 .323 14 .643 o .00 40 .30 A

ATOM 694 CB ALA A 84 -47 .528 68 .337 16 .150 o .00 40 .26 A

ATOM 695 C ALA A 84 -47 .451 66 .904 14 .106 o .00 40 .45 A

ATOM 696 O ALA A 84 -46 .472 66 .163 14 .006 0 .00 40 .44 A

ATOM 697 N THR A 85 -48 .679 66 .531 13 .760 o .00 40 .66 A

ATOM 698 CA THR A 85 -48 .958 65 .201 13 .234 o .00 40 .89 A

ATOM 699 CB THR A 85 -50 .349 64 .707 13 .675 o .00 40 .84 A

ATOM 700 OG1 THR A 85 -51 .357 65 .573 13 .140 o .00 40 .81 A

ATOM 701 CG2 THR A 85 -50 .452 64 .698 15 .193 0 .00 40 .81 A

ATOM 702 C THR A 85 -48 .905 65 .200 11 .710 0 .00 41 .12 A

ATOM 703 O THR A 85 -49 .209 64 .193 11 .069 0 .00 41 .12 A

ATOM 704 N THR A 86 -48 .517 66 .334 11 .135 0 .00 41 .43 A

ATOM 705 CA THR A 86 -48 .425 66 .468 9 .686 o .00 41 .77 A

ATOM 706 CB THR A 86 -48 .427 67 .951 9 .264 o .00 41 .71 A

ATOM 707 OG1 THR A 86 -49 .610 68 .589 9 .762 o. .00 41 .69 A

ATOM 708 CG2 THR A 86 -48 .394 68 .073 7 .748 o .00 41 .69 A

ATOM 709 C THR A 86 -47 .154 65 .811 9 .159 o .00 42 .07 A

ATOM 710 O THR A 86 -47 .165 65 .168 8 .109 o .00 42. .08 A

ATOM 711 N ALA A 87 -46. .059 65, .976 9, .895 o. .00 42, .47 A

ATOM 712 CA ALA A 87 -44, .778 65, .401 9, .504 o, .00 42, .91 A

ATOM 713 CB ALA A 87 -43. .644 66, .111 10, .233 o, .00 42. .86 A

ATOM 714 C ALA A 87 -44. .740 63. .907 9. .805 o. .00 43. ,26 A

ATOM 715 O ALA A 87 -44, .266 63, .489 10. .862 o, .00 43. .27 A

ATOM 716 N ARG A 88 -45, .242 63, .107 8. ,871 o. .00 43. .71 A

ATOM 717 CA ARG A 88 -45. .267 61. .658 9. .034 o. ,00 44. .22 A

ATOM 718 CB ARG A 88 -46. .585 61. .225 9. ,682 o. .00 44. .09 A

ATOM 719 CG ARG A 88 -46. ,678 59. .734 9. ,967 o. ,00 43. ,97 A

ATOM 720 CD ARG A 88 -48. ,023 59. .372 10. .577 o. ,00 43. ,87 A

ATOM 721 NE ARG A 88 -48. ,276 60. ,099 11. 818 o. 00 43. 78 A

ATOM 722 CZ ARG A 88 -49. ,373 59. ,959 12. .556 0. 00 43. .73 A

ATOM 723 NH1 ARG A 88 -50. ,325 59. ,116 12. .180 o. oo 43. 70 A

ATOM 724 NH2 ARG A 88 -49. ,519 60. ,664 13. 670 o. oo 43. 70 A

ATOM 725 C ARG A 88 -45. .104 60. 962 7. 687 0. 00 44. 67 A

ATOM 726 O ARG A 88 -44. 141 60. 228 7. 469 0. oo 44. 68 A

ATOM 727 N GLN A 89 -46. 052 61. 201 6. 787 o. oo 45. 25 A

ATOM 728 CA GLN A 89 -46. 022 60. 601 5. 458 o. 00 45. 88 A

ATOM 729 CB GLN A 89 -47. 337 60. 886 4. 726 o. 00 45. 78 A

ATOM 730 CG GLN A 89 -47. 466 60. 205 3. 372 o. 00 45. 72 A

ATOM 731 CD GLN A 89 -47. 532 58. 694 3. 479 o. 00 45. 68 A

ATOM 732 OE1 GLN A 89 -46. 598 58. 051 3. 957 o. oo 45. 66 A

ATOM 733 NE2 GLN A 89 -48. 645 58. 119 3. 037 o. oo 45. 66 A

ATOM 734 C GLN A 89 -44. 854 61. 156 4. 649 0. oo 46. 39 A

ATOM 735 O GLN A 89 -44. 419 60. 550 3. 669 0. oo 46. 41 A

ATOM 736 N VAL A 90 -44. 350 62. 312 5. 069 o.oo 47. 05 A

ATOM 737 CA VAL A 90 -43. 235 62. 961 4. 388 o. 00 47. 76 A

ATOM 738 CB VAL A 90 -42. 910 64. 326 5. 034 o. 00 47. 70 A

ATOM 739 CGI VAL A 90 -41. 825 65. 034 4. 237 o. oo 47. 70 A

ATOM 740 CG2 VAL A 90 -44. 165 65. 179 5. 105 o. oo 47. 70 A

ATOM 741 C VAL A 90 -41. 979 62. 096 4. 422 o. 00 48. 31 A

ATOM 742 O VAL A 90 -41. 288 61. 951 3. 414 o. 00 48. 34 A

ATOM 743 N MET A 91 -41. 690 61. 523 5. 586 o. 00 49. 02 A

ATOM 744 CA MET A 91 -40. 515 60. 674 5. 750 o. oo 49. 77 A ATOM 745 CB MET A 91 -40.044 60.702 7.206 o.00 49.71 A

ATOM 746 CG MET A 91 -41 .091 60 .246 8 .209 o .00 49 .70 A

ATOM 747 SD MET A 91 -40 .495 60 .309 9 .909 0 .00 49 .68 A

ATOM 748 CE MET' A 91 -40 .924 61 .989 10 .357 0 .00 49 .68 A

ATOM 749 C MET A 91 -40 .801 59 .236 5 .329 0 .00 50 .34 A

ATOM 750 O MET A 91 -39 .890 58 .496 4 .958 0 .00 50 .38 A

ATOM 751 N LEU A 92 -42 .070 58 .846 5 .390 0 .00 51 .08 A

ATOM 752 CA LEU A 92 -42 .475 57 .497 5 .013 o .00 51 .85 A

ATOM 753 CB LEU A 92 -43 .855 ^•57 .179 5 .594 o .00 51 .81 A

ATOM 754 CG LEU A 92 •43 .964 57 .133 7 .120 o .00 51 .82 A

ATOM 755 CD1 LEU A 92 -45 .418 56 .952 7 .525 o .00 51 .81 A

ATOM 756 CD2 LEU A 92 -43 .109 55 .998 7 .663 o .00 51 .81 A

ATOM 757 C LEU A 92 -42 .509 57 .344 3 .496 o .00 52 .43 A

ATOM 758 O LEU A 92 -42 .571 56 .230 2 .976 o .00 52 .47 A

ATOM 759 N GLN A 93 -42 .468 58 .471 2 .792 o .00 53 .17 A

ATOM 760 CA GLN A 93 42 .494 58 .466 1 .335 o .00 53 94 A

ATOM 761 CB GLN A 93 42 .566 59 901 o .805 o .00 53 .91 A

ATOM 762 CG GLN A 93 42 .712 60 .006 -o .706 o .00 53 . 96 A

ATOM 763 CD GLN A 93 44 .020 59 428 -1 .213 o .00 53 97 A

ATOM 764 OE1 GLN A 93 44 .290 58 .237 -1 .055 o .00 53 98 A

ATOM 765. NE2 GLN A 93 44 .842 60 .273 -1 .825 o .00 53 .98 A

ATOM 766 C GLN A 93 41 .252 57 774 o 781 o 00 54 50 A

ATOM 767 O GLN A 93 41 292 57 175 -o 294 o oo 54 54 A

ATOM 768 N ARG A 94 40 .151 57 861 1 .521 0 oo 55 20 A

ATOM 769 CA ARG A 94 38 897 57 240 1 107 o oo 55 93 A

ATOM 770 CB ARG A 94 37 .703 57 974 1 727 o oo 55 96 A

ATOM 771 CG ARG A 94 37 .468 59 385 1 .201 o oo 56 05 A

ATOM 772 CD ARG A 94 38 547 60 356 1 656 o 00 56 11 A

ATOM 773 NE ARG A 94 38 289 61 716 1 189 o oo 56 17 A

ATOM 774 CZ ARG A 94 37 216 62 431 1 516 0 00 56 20 A

ATOM 775 NHl ARG A 94 36 292 61 919 2 318 0 oo 56 22 A

ATOM 776 NH2 ARG A 94 37 066 63 660 1 040 0 oo 56 22 A

ATOM 777 C ARG A 94 38 851 55 771 1 513 0 oo 56 43 A

ATOM 778 0 ARG A 94 38 104 54 981 o 936 0 oo 56 48 A

ATOM 779 N PHE A 95 39 654 55 412 2 510 o oo 57 06 A

ATOM 780 CA PHE A 95 39 704 54 040 3 002 o oo 57 70 A

ATOM 781 CB PHE A 95 40 681 53 938 4 176 o oo 57 76 A

ATOM 782 CG PHE A 95 40 775 52 561 4 770 o oo 57 86 A

ATOM 783 CD1 PHE A 95 39 666 51 967 5 364 o oo 57 90 A

ATOM 784 CD2 PHE A 95 41 974 51 855 4 735 o oo 57 90 A

ATOM 785 CE1 PHE A 95 39 748 50 689 5 914 o oo 57 93 A

ATOM 786 CE2 PHE A 95 42 067 50 577 5 281 o oo 57 93 A

ATOM 787 CZ PHE A 95 40 951 49 993 5 872 o oo 57 94 A

ATOM 788 C PHE A 95 40 121 53 063 1 907 o oo 58. 12 A

ATOM 789 0 PHE A 95 39 401 52 110 1 606 o 00 58 16 A

ATOM 790 N ARG A 96 41 286 53 306 1 315 o oo 58 63 A

ATOM 791 CA ARG A 96 41 807 52 447 o 258 o oo 59 15 A

ATOM 792 CB ARG A 96 43 157 52 975 -o 233 o oo 59 23 A

ATOM 793 CG ARG A 96 44 222 53 069 o 848 0 oo 59 39 A

ATOM 794 CD ARG A 96 45 549 53. 536 o. 270 0. 00 59. 51 A

ATOM 795 NE ARG A 96 46 588 53. 650 1. 291 0. oo 59. 62 A

ATOM 796 CZ ARG A 96 46 553 54. 512 2. 303 0 oo 59. 67 A

ATOM 797 NHl ARG A 96 45 528 55. 343 2. 436 0. 00 59. 71 A

ATOM 798 NH2 ARG A 96 47 544 54. 542 3. 183 o. oo 59. 71 A

ATOM 799 C ARG A 96 40 845 52. 343 -0 920 o oo 59. 45 A

ATOM 800 0 ARG A 96 40. 553 51. 247 -1. 399 o. oo 59. 49 A

ATOM 801 N ASP A 91 40. 355 53. 488 -1. 384 0. oo 59. 82 A

ATOM 802 CA ASP A 91 39 432 53. 524 -2. 512 o. oo 60. 18 A

ATOM 803 CB ASP A 97 39 411 54. 927 -3. 127 0. oo 60. 24 A

ATOM 804 CG ASP A 97 38 558 55. 004 -4. 378 o. oo 60. 31 A

ATOM 805 ODl ASP A 97 37 328 54. 808 -4. 279 0. 00 60. 34 A ATOM 806 OD2 ASP A 97 -39.119 55.259 -5.465 o .00 60.34 A

ATOM 807 C ASP A 97 -38 .022 53 .120 -2 .093 o .00 60 .39 A

ATOM 808 0 ASP A 97 -37 .209 53 .965 -1 .717 o .00 60 .43 A

ATOM 809 N ALA A 98 -37 .739 51 .823 -2 .164 o .00 60 .64 A

ATOM 810 CA ALA A 98 -36 .428 51 .302 -1 .797 o .00 60 .87 A

ATOM 811 CB ALA A 98 -36 .468 49 .780 -1 .748 o .00 60 .89 A

ATOM 812 C ALA A 98 -35 .376 51 .767 -2 .798 o .00 61 .02 A

ATOM 813 0 ALA A 98 -34 .182 51 .778 -2 .500 o .00 61 .06 A

ATOM 814 N GLU A 99 -35 .832 52 .150 -3 .987 o .00 61 .19 A

ATOM 815 CA GLU A 99 -34 .940 52 .619 -5 .041 o .00 61 .33 A

ATOM 816 CB GLU A 99 -35 .740 52 .868 -6 .325 o .00 61 .44 A

ATOM^' 817 CG GLU A 99 -34 .904 53 .266 -7 .537 o .00 61 .58 A

ATOM 818 CD GLU A 99 -34 .335 54 .667 -7 .429 o .00 61 .65 A

ATOM 819 OE1 GLU A 99 -35 .129 55 .626 -7 .327 o .00 61 .70 A

ATOM 820 OE2 GLU A 99 -33 .094 54 .811 -7 .448 o .00 61 .70 A

ATOM 821 C GLU A 99 -34 .229 53 .896 -4 .609 o .00 61 .36 A

ATOM 822 0 GLU A 99 -33 .011 53 .912 -4 .435 o .00 61 .39 A

ATOM 823 N SER A 108 -23 .359 54 .643 -4 .183 1 .00 48 .29 A

ATOM 824 CA SER A 108 -22 .739 55 .651 -3 .336 1 .00 46 .24 A

ATOM 825 CB SER A 108 -22 .828 55 .228 -1 .870 1 .00 47 .37 A

ATOM 826 OG SER A 108 -22 .578 56 .324 -1 .009 1 .00 48 .02 A

ATOM 827 C SER A 108 -21 .279 55 .814 -3 .750 1 .00 45 .16 A

ATOM 828 0 SER A 108 -20 .899 55 .409 -4 .853 1 .00 45 .97 A

ATOM 829 N THR A 109 -20 .468 56 .393 -2 .866 1. .00 41 .46 A

ATOM 830 CA THR A 109 -19 .053 56, .616 -3, .149 1. .00 38 .83 A

ATOM 831 CB THR A 109 -18 .825 58. .033 -3 .713 1 .00 38 .72 A

ATOM 832 OG1 THR A 109 -19, .679 58, .236 -4, .845 1, .00 39 .43 A

ATOM 833 CG2 THR A 109 -17 .375 58, .212 -4, .142 1. .00 38, .58 A

ATOM 834 C THR A 109 -18, .186 56, .450 -1, .902 1, .00 37, .47 A

ATOM 835 0 THR A 109 -18, .591 56, .816 -o, .800 1, .00 36, .69 A

ATOM 836 N ARG A 110 -16, .991 55. .899 -2. .085 1, .00 36, .79 A

ATOM 837 CA ARG A 110 -16, .060 55, .687 -o. .977 1. .00 36. .93 A

ATOM 838 CB ARG A 110 -16, .080 54. .218 -o. .541 1. .00 39. .82 A

ATOM 839 CG ARG A 110 -17. .270 53. .829 o. .329 1. .00 45. .80 A

ATOM 840 CD ARG A 110 -18. .030 52. .668 -o. .286 1. .00 51. .14 A

ATOM 841 NE ARG A 110 -17. .148 51. .549 -o. .608 1. .00 55, .84 A

ATOM 842 CZ ARG A no -16. .823 50. ,575 o. ,238 1. ,00 59. .33 A

ATOM 843 NHl ARG A no -16. ,007 49. ,608 -o. ,155 1. ,00 60. ,47 A

ATOM 844 NH2 ARG A no -17. ,324 50. ,555 1. ,468 1. .00 59. ,91 A

ATOM 845 C ARG A no -14. .632 56. ,080 -1. ,342 1. .00 35. ,47 A

ATOM 846 0 ARG A no -14. 264 56. 100 -2. 517 1. oo 32. 99 A

ATOM 847 N GLU A 111 -13. 831 56. 387 -o. 326 1. ,00 33. ,95 A

ATOM 848 CA GLU A 111 -12. .442 56. ,767 -o. .543 1. ,00 34. ,22 A

ATOM 849 CB GLU A 111 -11. ,779 57. ,153 o. ,782 1. .00 37. ,33 A

ATOM 850 CG GLU A 111 -12. 612 58. 070 1. 659 1. oo 42. 24 A

ATOM 851 CD GLU A 111 -11. 873 58. 503 2. 913 1. oo 46. 61 A

ATOM ■ 852 OE1 GLU A 111 -10. 991 57. 745 3. 377 1. .00 48. .05 A

ATOM 853 OE2 GLU A 111 -12. 182 59. 595 3. 441 1. oo 47. 20 A

ATOM 854 C GLU A 111 -11. 698 55. 583 -1. 151 1. oo 32. 10 A

ATOM 855 O GLU A 111 -11. 994 54. 430 -o. 829 1. oo 31. 40 A

ATOM 856 N GLY A 112 -10. 744 55. 870 -2. 031 1. oo 30. ,18 A

ATOM 857 CA GLY A 112 -9. 968^' 54. 813 -2. 655 1. oo 29. 18 A

ATOM 858 C GLY A 112 -10. 483 54. 342 -4. ooi 1. oo 28. 16 A

ATOM 859 0 GLY A 112 -9. 835 53. 541 -4. 670 1. oo 29. 21 A

ATOM 860 N GLU A 113 -11. 651 54. 826 -4. 405 1. oo 27. 66 A

ATOM 861 CA GLU A 113 -12. 215 54. 434 -5. 687 1. oo 28. 97 A

ATOM 862 CB GLU A 113 -13. 745 54. 423 -5. 628 1. oo 32. 38 A

ATOM 863 CG GLU A 113 -14. 337 53. 485 -4. 593 1. oo 41. 21 A

ATOM 864 CD GLU A 113 -15. 821 53. 266 -4. 805 1. oo 47. 01 A

ATOM 865 OE1 GLU A 113 -16. 187 52. 664 -5. 840 1. oo 51. 17 A

ATOM 866 OE2 GLU A 113 -16. 624 53. 693 -3. 947 1. oo 50. 55 A ATOM 867 C GLU A 113 -11.792 55.389 -6.787 1.00 27.29 A

ATOM 868 O GLU A 113 -11 .400 56 .527 -6 .525 1 .00 25 .37 A

ATOM 869 N ILE A 114 -11 .846 54 .910 -8 .022 1 .00 26 .16 A

ATOM 870 CA ILE A 114 -11 .554 55 .758 -9 .161 1 .00 25 .81 A

ATOM 871 CB ILE A 114 -10 .651 55 .063 -10 .208 1 .00 27 .73 A

ATOM 872 CG2 ILE A 114 -11 .305 53 .790 -10 .732 1 .00 28 .70 A

ATOM 873 CGI ILE A 114 -10 .349 56 .044 -11 .341 1 .00 29 .11 A

ATOM 874 CD1 ILE A 114 -9 .423 55 .496 -12 .418 1 .00 28 .92 A

ATOM 875 C ILE A 114 -12 .937 56 .023 -9 .748 1 .00 26 .58 A

ATOM 876 O ILE A 114 -13 .746 55 .105 -9 .889 1 .00 28 .05 A

ATOM 877 N VAL A 115 -13 .233 57 .281 -10 .031 1 .00 23 .20 A

ATOM 878 CA VAL A 115 -14 .529 57 .636 -10 .599 1 .00 23 .49 A

ATOM 879 CB VAL A 115 -15 .374 58 .488 -9 .609 1 .00 24. .52 A

ATOM 880 CGI VAL A 115 -15 .668 57 .686 -8 .349 1 .00 24 .92 A

ATOM 881 CG2 VAL A 115 -14 .630 59 .777 -9 .254 1 .00 24 .33 A

ATOM 882 C VAL A 115 -14 .324 58 .446 -11 .869 1 .00 24 .24 A

ATOM 883 O VAL A 115 -13 .225 58 .921 -12 .151 1 .00 26 .54 A

ATOM 884 N ALA A 116 -15 .389 58 .593 -12 .644 1 .00 22 .21 A

ATOM 885 CA ALA A 116 -15 .339 59 .384 -13 .857 1 .00 21 .93 A

ATOM 886 CB ALA A 116 -15 .635 58 .518 -15 .070 1 .00 23 .99 A

ATOM 887 C ALA A 116 -16 .412 60 .448 -13 .704 1 .00 22 .04 A

ATOM , 888 O ALA A 116 -17 .397 60 .242 -12 .987 1 .00 20 .00 A

ATOM 889 N GLY A 117 -16 .225 61 .578 -14 .375 1 .00 21 .97 A

ATOM 890 CA GLY A 117 -17 .205 62 .640 -14 .289 1 .00 22 .06 A

ATOM 891 C GLY A 117 -17. .004 63 .726 -15 .321 1 .00 22 .50 A

ATOM 892 O GLY A 117 -16 .069. 63 .671 -16 .118 1 .00 23 .33 A

ATOM 893 N VAL A 118 -17, .889 64 .718 -15 .299 1. .00 22 .71 A

ATOM '894 CA VAL A 118 -17, .822 65, .836 -16 .218 1, .00 21 .84 A

ATOM 895 CB VAL A 118 -19, .068 65, .889 -17. .130 1, .00 23, .22 A

ATOM 896 CGI VAL A 118 -18, ,985 67, .090 -18, .063 1, .00 25, .67 A

ATOM 897 CG2 VAL A 118 -19. .170 64. .595 -17, .929 1. .00 22, .94 A

ATOM 898 C VAL A 118 -17. ,770 67. .116 -15, .392 1. .00 20, .89 A

ATOM' 899 O VAL A 118 -18. ,585 67, ,326 -14, ,488 1. .00 20. ,52 A

ATOM 900 N ILE A 119 -16. ,806 67. ,963 -15. ,713 1. .00 21. .61 A

ATOM 901 CA ILE A 119 -16. ,621 69. ,216 -14. ,998 1. ,00 23. .49 A

ATOM 902 CB ILE A 119 -15. 324 ^' 69. ,914 -15. ,462 1. .00 22. ,59 A

ATOM 903 CG2 ILE A 119 -15. 178 71. 284 -14. ,770 1. oo 21. ,32 A

ATOM 904 CGI ILE A 119 -14. 125 69. 002 -15. ,137 1. oo 23. 17 A

ATOM 905 CD1 ILE A 119 -12. 795 69. 540 -15. 610 ' 1. oo 21. 65 A

ATOM 906 C ILE A 119 -17. 822 70. 132 -15. 204 1. oo 25. 16 A

ATOM 907 O ILE A 119 -18. 304 70. 294 -16. 323 1. oo 24. 57 A

ATOM 908 N GLN A 120 -18. 304 70. 715 -14. 111 1. oo 26. 99 A

ATOM 909 CA GLN A 120 -19. 448 71. 616 -14. 148 1. oo 30. 39 A

ATOM 910 CB GLN A 120 -20. 483 71. 208 -13. 098 1. oo 30. 43 A

ATOM 911 CG GLN A 120 -20. 971 69. 769 -13. 194 1. oo 34. 58 A

ATOM 912 CD GLN A 120 -21. 606 69. 449 -14. 532 1. oo 36. 60 A

ATOM 913 OE1 GLN A 120 -20. 998 .68. 801 -15. 388 1. oo 37. 85 A

ATOM 914 NE2 GLN A 120 -22. 837 69. 908 -14. 723 1. oo 37. 78 A

ATOM 915 C GLN A 120 -19. 003 73. 044 -13. 861 1. oo 33. 25 A

ATOM 916 O GLN A 120 -18. 125 73. 276 -13. 029 1. oo 33. oo A

ATOM 917 N ARG A 121 -19. 622 73. 999 -14. 545 1. oo 36. 77 A

ATOM 918 CA ARG A 121 -19. 303 75. 407 -14. 348 1. oo 39. 44 A

ATOM 919 CB ARG A 121 -19. 981 76. 241 -15. 442 1. oo 43. 14 A

ATOM 920. CG ARG A 121 -19. 805 77. 748 -15. 335 1. oo 49. 31 A

ATOM 921 CD ARG A 121 -20. 367 78. 428 -16. 582 1. oo 53. 45 A

ATOM 922 NE ARG A 121 -20. 688 79. 840 -16. 377 1. oo 57. 95 A

ATOM 923 CZ ARG A 121 -19. 795 80. 794 -16. 135 1. oo 59. 32 A

ATOM 924 NHl ARG A 121 -18. 503 80. 500 -16. 062 1. oo 60. 30. A

ATOM 925 NH2 ARG A 121 -20. 196 82. 049 -15. 971 1. oo 60. 17 A

ATOM 926 C ARG A 121 -19. 796 75. 829 -12. 964 1. oo 38. 65 A

ATOM 927 O ARG A 121 -20. 892 75. 456 -12. 550 1. oo 37. 86 A ATOM 928 N ASP A 122 -18.974 76.584 -12.239 1.00 38.92 A

ATOM 929 CA ASP A 122 -19 .343 77 .058 -10 .907 1 .00 40 .35 A

ATOM 930 CB ASP A 122 -19 .266 75 .918 -9 .886 1 .00 40 .30 A

ATOM 931 CG ASP A 122 -19 .908 76 .280 -8 .561 1 .00 42 .06 A

ATOM 932 ODl ASP A 122 -19 .667 77 .402 -8 .064 1 .00 43 .47 A

ATOM 933 OD2 ASP A 122 -20 .648 75 .441 -8 .005 1 .00 44 .39 A

ATOM 934 C ASP A 122 -18 .410 78 .193 -10 .487 1 .00 41 .02 A

ATOM 935 O ASP A 122 -17 .449 77 .981 -9 .744 1 .00 39 .25 A

ATOM 936 N SER A 123 -18 .706 79 .395 -10 .972 1 .00 40 .93 A

ATOM 937 CA SER A 123 -17 .910 80 .586 -10 .687 1 .00 41 .13 A

ATOM 938 CB SER A 123 -18 .656 81 .833 -11 .167 1 .00 41 .85 A

ATOM 939 OG SER A 123 -19 .823 82 .043 -10 .391 1 .00 43 .87 A

ATOM 940 C SER A 123 -17 .544 80 .770 -9 .214 1 .00 40 .16 A

ATOM 941 O SER A 123 -16 .414 81 .124 -8 .897 1 .00 40 .85 A

ATOM 942 N ARG A 124 -18 .506 80 .543 -8 .327 1 .00 40 .29 A

ATOM 943 CA ARG A 124 -18 .298 80 .695 -6 .889 1 .00 41 .45 A

ATOM 944 CB ARG A 124 -19 .588 80 .356 -6 .142 1 .00 45 .36 A

ATOM 945 CG ARG A 124 -19 .468 80 .431 -4 .629 1 .00 50 .31 A

ATOM 946 CD ARG A 124 -20 .509 79 .545 -3 .956 1. .00 55 .15 A

ATOM 947 NE ARG A 124 -20 .263 78 .130 -4 .226 1 .00 59 .12 A

ATOM 948 CZ ARG A 124 -19 .202 77 .460 -3 .787 1 .00 61 .12 A

ATOM 949 NHl ARG A 124 -18 .284 78 .074 -3 .049 1 .00 61 .00 A

ATOM 950 NH2 ARG A 124 -19 .052 76 .177 -4 .092 1, .00 62 .34 A

ATOM 951 C ARG A 124 -17 .171 79 .809 -6 .356 1. .00 40 .33 A

ATOM 952 O ARG A 124 -16 .266 80 .279 -5 .661 1, .00 38 .09 A

ATOM 953 N ALA A 125 -17 .245 78 .519 -6 .670 1. .00 37 .11 A

ATOM 954 CA ALA A 125 -16, .239 77 .565 -6 .221 1. .00 34, .50 A

ATOM 955 CB ALA A 125 -16, .730 76, .140 -6, .460 1. .00 34, .37 A

ATOM 956 C ALA A 125 -14, .922 77, .792 -6, .948 1. ,00 32, .13 A

ATOM 957 O ALA A 125 -13, .850 77 .728 -6, .347 1. .00 31, .75 A

ATOM 958 N ASN A 126 -15, .006 78, .055 -8, .245 1. ,00 31, .09 A

ATOM 959 CA ASN A 126 -13. .814 78, .285 -9. .049 1. ,oo 33. ,91 A

ATOM 960 CB ASN A 126 -14. .204 78. .530 -10. .506 1. .00 34. ,82 A

ATOM 961 CG ASN A 126 -14. .882 77. .326 -11. .140 1. .00 38. ,51 A

ATOM 962 ODl ASN A 126 -15. .503 77. .441 -12. .193 1. oo 39. .54 A

ATOM 963 ND2 ASN A 126 -14. ,759 76. .163 -10. .503 1. oo 34. ,64 A

ATOM 964 C ASN A 126 -13. .012 79. ,473 -8. ,525 1. oo 34. ,77 A

ATOM 965 O ASN A 126 -11. .784 79. .480 -8. ,598 1. 00 35. ,42 A

ATOM 966 N ALA A 127 -13. ,710 80. .477 -8. ,006 1. oo 34. ,86 A

ATOM 967 CA ALA A 127 -13. .050 81. .662 -7. ,464 1. oo 35. ,18 A

ATOM 968 CB ALA A 127 -14. 088 82. 735 -7. 132 1. oo 35. 11 A

ATOM 969 C ALA A 127 -12. .260 81. ,283 -6. ,213 1. oo 34. ,80 A

ATOM 970 O ALA A 127 -11. 260 81. 924 -5. 881- 1. 00 36. 42 A

ATOM 971 N ARG A 128 -12. 721 80. 244 -5. 521 1. oo 33. 26 A

ATOM 972 CA ARG A 128 -12. 058 79. 763 -4. 312 1. oo 34. 28 A

ATOM 973 CB ARG A 128 -13. 065 79. 126 -3. 351 1. oo 35. 62 A

ATOM 974 CG ARG A 128 -14. 254 79. 989 -2. 955 1. oo 40. 41 A

ATOM 975 CD ARG A 128 -13. 862 81. 191 -2. 122 1. oo 41. 78 A

ATOM 976 NE ARG A 128 -14. 985 81. 654 -1. 307 1. oo 44. 70 A

ATOM 977 CZ ARG A 128 -14. 971 82. 753 -o. 563 1. oo 44. 66 A

ATOM 978 NHl ARG A 128 -13. 889 83. 517 -o. 528 1. oo 47. 87 A

ATOM 979 NH2 ARG A 128 -16. 035 83. 086 o. 155 1. oo 44. 87 A

ATOM 980 C ARG A 128 -11. 007 78. 714 -4. 684 1. oo 33. 42 A

ATOM 981 O ARG A 128 -10. 451 78. 052 -3. 810 1. 00 34. 14 A

ATOM 982 N GLY A 129 -10. 764 78. 559 -5. 985 1. oo 33. 28 A

ATOM 983 CA GLY A 129 -9. 770 77. 613 -6. 469 1. 00 33. 45 A

ATOM 984 C GLY A 129 -10. 201 76. 162 -6. 619 1. 00 32. 63 A

ATOM 985 O GLY A 129 -9. 359 75. 294 -6. 864 1. 00 33. 02 A

ATOM 986 N LEU A 130 -11. 499 75. 895 -6. 487 1. 00 29. 34 A

ATOM 987 CA LEU A 130 -12. 014 74. 532 -6. 597 1. oo 28. 08 A

ATOM 988 CB LEU A 130 -13. 093 74. 292 -5. 539 1. oo 29. 89 A ATOM 989 CG LEU A 130 -12.779 74.608 -4.076 1.00 34.05 A

ATOM 990 CD1 LEU A 130 -13 .989 74 .255 -3 .220 1 .00 34 .91 A

ATOM 991 CD2 LEU A 130 -11 .562 73 .819 -3 .621 1 .00 34 .35 A

ATOM 992 C LEU A 130 -12 .612 74 .206 -7 .967 1 .00 27 .75 A

ATOM 993 O LEU A 130 -13 .120 75 .086 -8 .663 1 .00 27 .43 A

ATOM 994 N VAL A 131 -12 .532 72 .931 -8 .343 1 .00 25 .28 A

ATOM 995 CA VAL A 131 -13 .108 72 .444 -9 .591 1 .00 24 .24 A

ATOM 996 CB VAL A 131 -12 .078 71 .660 -10 .446 1 .00 24 .92 A

ATOM 997 CGI VAL A 131 -12 .783 70 .936 -11 .606 1 .00 24 .80 A

ATOM 998 CG2 VAL A 131 -11 .033 72 .619 -11 .005 1 .00 25 .17 A

ATOM 999 C VAL A 131 -14 .244 71 .517 -9 .155 1 .00 23 .77 A

ATOM IOOO O VAL A 131 -14 .061 70 .665 -8 .283 1 .00 24 .05 A

ATOM 1001 N VAL A 132 -15 .423 71 .709 -9 .740 1 .00 22 .37 A

ATOM 1002 CA VAL A 132 -16 .590 70 .902 -9 .402 1 .00 23 .00 A

ATOM 1003 CB VAL A 132 -17 .837 71 .789 -9 .242 1 .00 24 .09 A

ATOM 1004 CGI VAL A 132 -19 .042 70 .940 -8 .871 1 .00 25 .71 A

ATOM 1005 CG2 VAL A 132 -17 .576 72 .838 -8 .161 1 .00 26 .05 A

ATOM 1006 C VAL A 132 -16 .843 69 .883 -10 .503 1 .00 22 .02 A

ATOM 1007 O VAL A 132 -16 .821 70 .231 -11 .680 1 .00 21 .90 A

ATOM 1008 N VAL A 133 -17 .079 68 .633 -10 .111 1 .00 22 .83 A

ATOM 1009 CA VAL A 133 -17 .298 67 .549 -11 .071 1 .00 22 .61 A

ATOM 1010 CB VAL A 133 -16 .093 66 .552 -11 .073 1 .00 24 .89 A

ATOM 1011 CGI VAL A 133 -16 .224 65 .567 -12 .243 1. .00 23 .31 A

ATOM 1012 CG2 VAL A 133 -14. .765 67, .315 -11, .173 1. .00 22 .26 A

ATOM 1013 C VAL A 133 -18 .552 66, .736 -10 .747 1 .00 25 .72 A

ATOM 1014 O VAL A 133 -18. .764 66, .349 -9, .598 1, .00 25 .59 A

ATOM 1015 N ARG A 134 -19, .387 66. .485 -11, .753 1, .00 26, .38 A

ATOM 1016 CA ARG A 134 -20, .570 65. .654 -11 .544 1, .00 24 .01 A

ATOM 1017 CB ARG A 134 -21, .701 66, .030 -12, .507 1. .00 27. .44 A

ATOM 1018 CG ARG A 134 -23. .018 65. .332 -12. .179 1. .00 34. .52 A

ATOM 1019 CD ARG A 134 -23, .622 64. .640 -13, .392 1, .00 41. .38 A

ATOM 1020 NE ARG A 134 -23, .569 65. .477 -14. .585 1. .00 46. .93 A

ATOM 1021 CZ ARG -A 134 -24. .277 65, ,253 -15. .686 1. .00 50. .94 A

ATOM 1022 NHl ARG A 134 -25. .102 64. ,217 -15. .745 1. .00 54, .29 A

ATOM 1023 NH2 ARG A 134 -24. .154 66. .058 -16. .732 1. ,00 52. .50 A

ATOM 1024 C ARG A 134 -20. ,038 64. ,272 -11. .892 1. .00 23. .43 A

ATOM 1025 O ARG A 134 -19. ,545 64. 061 -12. ,998 1. ,00 23. .21 A

ATOM 1026 N ILE A 135 -20. ,123 63. ,341 -10. ,951 1. .00 23. .41 A

ATOM 1027 CA ILE A 135 -19. ,588 62. 000 -11. ,155 1. ,00 23. ,10 A

ATOM 1028 CB ILE A 135 -18. ,540 61. 665 -10. 062 1. oo 24. ,14 A

ATOM 1029 CG2 ILE A 135 -17. ,390 62. 673 -10. ,103 1. ,oo 23. ,41 A

ATOM 1030 CGI ILE A 135 -19. 216 61. 670 -8. 689 1. oo 23. ,20 A

ATOM 1031 CD1 ILE A 135 -18. 337 61. 146 -7. 549 1. oo 26. 64 A

ATOM 1032 C ILE A 135 -20. 635 60. 895 -11. .111 1. .00 23. ,63 A

ATOM 1033 O ILE A 135 -21. 724 61. 073 -10. 563 1. oo 24. .59 A

ATOM 1034 N GLY A 136 -20. 286 59. 746 -11. 683 1. 00 25. ,22 A

ATOM 1035 CA GLY A 136 -21. 183 58. 610 -11. 648 1. ,oo 26. 07 A

ATOM 1036 C GLY A 136 -20. 946 57. 865 -10. 346 1. oo 28. 89 A

ATOM 1037 O GLY A 136 -19. 825 57. 847 -9. 830 1. oo 27. 88 A

ATOM 1038 N THR A 137 -21. 994 57. 263 -9. 796 1. oo 31. 76 A

ATOM 1039 CA THR A 137 -21. 875 56. 510 -8. 549 1. oo 33. 87 A

ATOM 1040 CB THR A 137 -22. 520 57. 249 -7. 350 1. oo 36. 13 A

ATOM 1041 OG1 THR A 137 -23. 947 57. 136 -7. 436 1. oo 38. 13 A

ATOM 1042 CG2 THR A 137 -22. 128 58. 722 -7. 346 1. oo 36. 71 A

ATOM 1043 C THR A 137 -22. 616 55. 194 -8. 726 1. oo 34. 42 A

ATOM 1044 O THR A 137 -23. 022 54. 853 -9. 835 1. oo 33. 31 - A

ATOM 1045 N GLU A 138 -22. 798 54. 470 -7. 626 1.oo 36. 72 A

ATOM 1046 CA GLU A 138 -23. 502 53. 191 -7. 644 1. oo 39. 94 A

ATOM 1047 CB GLU A 138 -23. 367 52. 497 -6. 283 1. oo 42. 53 A

ATOM 1048 CG GLU A 138 -21. 923 52. 256 -5. 857 1.oo 48. 60 A

ATOM 1049 CD GLU A 138 -21. 797 51. 689 -4. 452 1. 00 51. 82 A ATOM 1050 OE1 GLU A 138 -22.281 52.337 -3.497 1.00 53.93 A

ATOM 1051 OE2 GLU A 138 -21 .204 50 .596 -4 .303 1 .00 54 .38 A

ATOM 1052 C GLU A 138 -24 .978 53 .401 -7 .979 1 .00 40 .15 A

ATOM 1053 O GLU A 138 -25 .677 52 .466 -8 .379 1 .00 41 .64 A

ATOM 1054 N THR A 139 -25 .451 54 .632 -7 .812 1 .00 38 .08 A

ATOM 1055 CA THR A 139 -26 .843 54 .951 -8 .108 1 .00 37 .57 A

ATOM 1056 CB THR A 139 -27 .705 54 .950 -6 .822 1 .00 39 .90 A

ATOM 1057 OG1 THR A 1^'39 -27 .159 55 .866 -5 .863 1 .00 43 .14 A

ATOM 1058 CG2 THR A 139 -27 .741 53 .558 -6 .216 1 .00 42 .47 A

ATOM 1059 C THR A 139 -26 .984 56 .295 -8 .815 1 .00 34 .77 A

ATOM 1060 O THR A 139 -26 .626 56 .421 -9 .985 1 .00 33 .54 A

ATOM 1061 N ALA A 140 -27 .493 57 .299 -8 .109 1 .00 33 .69 A

ATOM 1062 CA ALA A 140 -27 .683 58 .619 -8 .699 1 .00 31 .91 A

ATOM 1063 CB ALA A 140 -28 .664 59 .434 -7 .856 1 .00 33 .42 A

ATOM 1064 C ALA A 140 -26 .356 59 .360 -8 .815 1 .00 30 .26 A

ATOM 1065 O ALA A 140 -25 .452 59 .153 -8 .011 1 .00 31 .19 A

ATOM 1066 N ALA A 141 -26 .241 60 .217 -9 .821 1 .00 29 .48 A

ATOM 1067 CA ALA A 141 -25 .018 60 .984 -10 .011 1 .00 29 .17 A

ATOM 1068 CB ALA A 141 - -25 .087 61 .790 -11 .312 1 .00 28 .39 A

ATOM 1069 C ALA A 141 -24 .856 61 .918 -8 .820 1 .00 31 .19 A

ATOM 1070 O ALA A 141 -25 .841 62 .409 -8 .264 1 .00 30 .94 A

ATOM 1071 N SER A 142 -23 .612 62 .142 -8 .418 1 .00 31 .41 A

ATOM 1072 CA SER A 142 -23 .321 63 .019 -7 .293 1 .00 31 .42 A

ATOM 1073 CB SER A 142 -22 .732 62 .222 -6 .127 1 .00 34 .38 A

ATOM 1074 OG SER A 142 -23, .698 61 .349 -5 .565 1 .00 41 .72 A

ATOM 1075 C SER A 142 -22 .332 64 .084 -7 .728 1 .00 31 .07 A

ATOM ' 1076 O SER A 142 -21. .926 64 .140 -8 .881 1, .00 29 .19 A

ATOM 1077 N GLU A 143 -21. .944 64 .932 -6, .788 1, .00 31 .70 A

ATOM 1078 CA GLU A 143 -21. .009 65 .997 -7. .082 1. .00 31 .62 A

ATOM 1079 CB GLU A 143 -21, .671 67 .338 -6, .786 1, .00 36. .00 A

ATOM 1080 CG GLU A 143 -20, .890 68, .548 -7, .218 1, .00 41, .20_, A

ATOM 1081 CD GLU A 143 -21, .750 69 . . 191 -7, .225 1. .00 45, .29 A

ATOM 1082 OE1 GLU A 143 -22. .619 69, .916 -8. ,118 1. .00 48, .35 A

ATOM 1083 OE2 GLU A 143 -21. ,564 70, .652 -6. .334 1. .00 46, .86 A

ATOM 1084 C GLU A 143 -19. .768 65, ,810 -6. ,224 1. .00 30. ,42 A

ATOM 1085 O GLU A 143 -19. .854 65. ,358 -5, .087 1. ,00 29. .71 A

ATOM 1086 N GLY A 144 -18. .614 66. .132 -6. .791 1. .00 29, .27 A

ATOM 1087 CA GLY A 144 -17. ,366 66. .012 -6. ,063 1. .00 27. ,11 A

ATOM 1088 C GLY A 144 -16. ,559 67. .259 -6. ,350 1. ,00 24. ,96 A

ATOM 1089 O GLY A 144 -16. ,868 67. .996 -7. .287 1. .00 26. .14 A

ATOM 1090 N VAL A 145 -15. 529 67. ,506 -5. 553 1. oo 22. ,85 A

ATOM 1091 CA VAL A 145 -14. 704 68. ,680 -5. 766 1. ,00 20. ,85 A

ATOM 1092 CB VAL A 145 -14. 921 69. 734 -4. 647 1. oo 25. ,42 A

ATOM 1093 CGI VAL A 145 -16. 368 70. 210 -4. 647 1. oo 26. 00 A

ATOM 1094 CG2 VAL A 145 -14. 567 69. ,145 -3. ,297. 1. oo 27. ,51 A

ATOM 1095 C VAL A 145 -13. 228 68. 312 -5. 815 1. oo 18. 94 A

ATOM 1096 O VAL A 145 -12. 772 67. 435 -5. 082 1. oo 20. 62 A

ATOM 1097 N ILE A 146 -12. 494 68. ,960 -6. 708 1. oo 19. ,61 A

ATOM 1098 CA ILE A 146 -11. 061 68. 740 -6. 803 1. oo 19. 56 A

ATOM 1099 CB^' ILE A 146 -10. 559 68. .648 -8. 253 1. oo 19. 47 A

ATOM 1100 CG2 ILE A 146 -9. 075 68. 292 -8. 246 1. oo 20. 41 A

ATOM 1101 CGI ILE A 146 -11. 332 67. 577 -9. 031 1. oo 20. 91 A

ATOM 1102 GDI ILE A .146 -10. 973 67. 524 -10. 519 1. oo 22. 72 A

ATOM 1103 C ILE A 146 -10. 423 69. 992 -6. 193 1. oo 20. 15 A

ATOM 1104 O ILE A 146 -10. 503 71. 070 -6. 776 1. oo 21. 80 A

ATOM 1105 N PRO A 147 -9. 800 69. 863 -5. 008 1. oo 22. 50 A

ATOM 1106 CD PRO A 147 -9. 778 68. 687 -4. 122 1. oo 22. 26 A

ATOM 1107 CA PRO A 147 -9. 155 71. 017 -4. 360 1. oo 22. 55 A

ATOM 1108 CB PRO A 147 -8. 662 70. 445 -3. 028 1. oo 23. 86 A

ATOM 1109 CG PRO A 147 -9. 611 69. 323 -2. 755 1. oo 24. 56 A

ATOM 1110 C PRO A 147 -7. 996 71. 531 -5. 211 1. oo 21. 67 A ATOM 1111 0 PRO A 147 -7.434 70.792 ^• -6.012 1.00 20.62 A

ATOM 1112 N ALA A 148 -7 .629 72 .795 -5 .026 1 .00 23 .25 A

ATOM 1113 CA ALA A 148 -6 .535 73 .386 -5 .792 1 .00 25 .15 A

ATOM 1114 CB ALA A 148 -6 .260 74 .817 -5 .290 1 .00 26 .00 A

ATOM 1115 C ALA A 148 -5 .248 72 .554 -5 .725 1 .00 25 .40 A

ATOM 1116 O ALA A 148 -4 .551 72 .394 -6 .731 1 .00 28 .29 A

ATOM 1117 N ALA A 149 -4 .946 72 .021 -4 .545 1 .00 27 .06 A

ATOM 1118 CA ALA A 149 -3 .728 71 .230 -4 .342 1 .00 29 .89 A

ATOM 1119 CB ALA A 149 -3 .452 71 .082 -2 .863 1 .00 31 .42 A

ATOM 1120 C ALA A 149 -3 .762 69 .852 -4 .998 1 .00 31 .54 A

ATOM 1121 O ALA A 149 -2 .720 69 .211 -5 .158 1 .00 30 .90 A

ATOM 1122 N GLU A 150 -4 .957 69 .397 -5 .362 1 .00 29 .13 A

ATOM 1123 CA GLU A 150 -5 .109 68 .091 -6 .001 1 .00 27 .44 A

ATOM 1124 CB GLU A 150 -6 .297 67 .343 -5 .395 1 .00 29 .09 A

ATOM 1125 CG GLU A 150 -6 .143 67 .045 -3 .906 1 .00 35 .16 A

ATOM 1126 CD GLU A 150 -4 .859 66 .290 -3 .587 1 .00 38 . 69 A

ATOM 1127 OE1 GLU A 150 -4 .683 65 .162 -4 .094 1 .00 38 .94 A

ATOM 1128 OE2 GLU A 150 -4 .019 66 .832 -2 .832 1 .00 40 .99 A

ATOM 1129 C GLU A 150 -5 .279 68 .221 -7 .511 1 .00 26 .35 A

ATOM 1130 O GLU A 150 -5 .609 67 .247 -8 .198 1 .00 23 .29 A

ATOM 1131 N GLN A 151 -5 .056 69 .432 -8 .017 1, .00 24 .79 A

ATOM 1132 CA GLN A 151 -5 .141 69, .719 -9 .439 1, .00 25 .89 A

ATOM 1133 CB GLN A 151 -5 .745 71, .111 -9 .670 1, .00 26 .26 A

ATOM 1134 CG GLN A 151 -7 .245 71, .186 -9, .448 1, .00 26 .75 A

ATOM 1135 CD GLN A 151 -7 .751 72, .614 -9 .403 1. .00 29 .14 A

ATOM 1136 OE1 GLN A 151 -7 .373 73, .440 -10 .237 1, .00 30 .54 A

ATOM 1137 NE2 GLN A 151 -8 .614 72, .910 -8, .436 1, .00 25 .94 A

ATOM 1138 C GLN A 151 -3 .735 69, .677 -10, .029 1, .00 28 .36 A

ATOM 1139 O GLN A 151 -2 .759 70, .021 -9, .361 1, .00 29 .62 A

ATOM 1140 N VAL A 152 -3, .632 69, .245 -11. .277 1, .00 28 .77 A

ATOM 1141 CA VAL A 152 -2, .340 69. .167 -11. .948 1, .00 32, .01 A

ATOM 1142 CB VAL A 152 -2, .294 67. .958 -12. .909 i. .00 30, .48 A

ATOM 1143 CGI VAL A 152 -0, .961 67. .912 -13. ,628 1. .00 32, .45 A

ATOM 1144 CG2 VAL A 152 -2. ,525 66. .673 -12. ,129 1. .00 29. .88 A

ATOM 1145 C VAL A 152 -2. .072 70. ,447 -12. ,743 1. ,oo 34. .71 A

ATOM 1146 O VAL A 152 -2. .887 70. ,869 -13. ,561 1. ,oo 34. .45 A

ATOM 1147 N PRO A 153 -0. ,919 71. ,087 -12. ,508 1. ,oo 39. .12 A

ATOM 1148 CD PRO A 153 o. ,215 70. 670 -11. ,665 1. .00 41. .71 A

ATOM 1149 CA PRO A 153 -o. ,604 72. 316 -13. ,241 ^' 1. ,00 42. .19 A

ATOM 1150 CB PRO A 153 o. ,727 72. 745 -12. .629 1. oo 43. ,32 A

ATOM 1151 CG PRO A 153 1. ,368 71. 429 -12. .287 1. ,oo 43. ,72 A

ATOM 1152 C PRO A 153 -o. ,506 72. 053 -14. 740 1. oo 42. ,70 A

ATOM 1153 O PRO A 153 o. ,087 71. 060 -15. 166 1. oo 45. ,48 A

ATOM 1154 N GLY A 154 -1. 097 72. 940 -15. 533 1. oo 42. ,74 A

ATOM 1155 CA GLY A 154 -1. 066 72. 777 -16. 976 1. oo 42. 43 A

ATOM 1156 C GLY A 154 -2. 272 72. 025 -17. ,506 1. oo 41. ,97 A

ATOM 1157 O GLY A 154 -2. ,620 72. 144 -18. ,680 1. oo 43. ,87 A

ATOM 1158 N GLU A 155 -2. ,915 71. 249 -16. 639 1. oo 39. 27 A

ATOM 1159 CA GLU A 155 -4. ,085 70. 474 -17. 029 1. oo 38. 08 A

ATOM 1160 CB GLU A 155 -4. 360 69. 390 -15. 979 1. 00 36. 95 A

ATOM 1161 CG GLU A 155 -5. 208 68. 234 -16. 476 1. 00 39. 28 A

ATOM 1162 CD GLU A 155 -5. 052 66. 983 -15. 621 1. 00 38. 37 A

ATOM 1163 OE1 GLU A 155 -5. 571 66. 954 -14. 485 1. oo 33'. 13 A

ATOM 1164 OE2 GLU A 155 -4. 401 66. 026 -16^'. 093 1. oo 40. 96 A

ATOM 1165 C GLU A 155 -5. 289 71. 405 -17. 162 1. oo 37. 29 A

ATOM 1166 O GLU A 155 -5. 444 72. 340 -16. 382 1. oo 36. 79 A

ATOM 1167 N SER A 156 -6. 132 71. 145 -18. 156 1. oo 36. 48 A

ATOM 1168 CA SER A 156 -7. 324 71. 956 -18. 397 1. oo 36. 27 A

ATOM 1169 CB SER A 156 -7. 666 71. 941 -19. 889 1. oo 38. 46 A

ATOM 1170 OG SER A 156 -8. 984 72. 410 -20. 119 1. oo 42. 34 A

ATOM 1171 C SER A 156 -8. 531 71. 468 -17. 595 1. oo 33. 35 A ATOM 1172 O SER A 156 -8.869 70.288 -17.634 1.00 34.29 A

ATOM 1173 N TYR A 157 -9 .172 72 .377 -16 .865 1 .00 29 .81 A

ATOM 1174 CA TYR A 157 -10 .351 72 .020 -16 .076 1 .00 28 .59 A

ATOM 1175 CB TYR A 157 -10 .088 72 .272 -14 .593 1 .00 26 .35 A

ATOM 1176 CG TYR A 157 -9 .029 71 .346 -14 .038 1 .00 24 .49 A

ATOM 1177 GDI TYR A 157 -9 .255 69 .973 -13 .967 1 .00 27 .66 A

ATOM 1178 CE1 TYR A 157 -8 .265 69 .100 -13 .518 1 .00 26 .95 A

ATOM 1179 CD2 TYR A 157 -7 .786 71 .830 -13 .643 1 .00 26 .75 A

ATOM 1180 CE2 TYR A 157 -6 .781 70 .962 -13 .191 1 .00 26 .91 A

ATOM 1181 CZ TYR A 157 -7 .034 69 .598 -13 .134 1 .00 26 .74 A

ATOM 1182 OH TYR A 157 -6 .064 68 .726 -12 .699 1 .00 26 .30 A

ATOM 1183 C TYR A 157 11 .581 72 .797 -16 .539 1 .00 29 .39 A^'

ATOM 1184 O TYR A 157 12 .365 73 .286 -15 .733 1 .00 30 .63 A

ATOM 1185 N GLU A 158 11 .749 72 .894 -17 .850 1 .00 31 .84 A

ATOM 1186 CA GLU A 158 12 .886 73 .612 -18 .418 1 .00 33 .79 A

ATOM 1187 CB GLU A 158 12 .627 73 .915 -19 .891 1 oo 37 .62 A

ATOM 1188 CG GLU A 158 11 .509 74 910 -20 .128 1 oo 45 .75 A

ATOM 1189 CD GLU A 158 11 .235 75 121 -21 .601 1 oo 49 .96 A

ATOM 1190 OE1 GLU A 158 12 187 75 456 -22 .340 1 oo 53 .48 A

ATOM 1191 OE2 GLU A 158 10 068 74 954 -22 .022 1 oo 53 46 A

ATOM 1192 C GLU A 158 14 193 72 840 -18 284 1 oo 33 .85 A

ATOM 1193 O GLU A 158 14 216 71 605 -18 350 1 oo 32 14 A

ATOM 1194 N HIS A 159 15 285 73 575 -18 100 1 oo 32 17 A

ATOM 1195 CA HIS A 159 16 596 72 953 -17 972 1 oo 34 87 A

ATOM 1196 CB HIS A 159 17 682 74 024 -17 859 1 oo 39 14 A

ATOM 1197 CG HIS A 159 17 697 74 987 -19 003 1 oo 45 19 A

ATOM 1198 CD2 HIS A 159 18 681 75 332 -19 867 1 oo 48 27 A

ATOM 1199 ND1 HIS A 159 16 592 75 726 -19 367 1 oo 48 84 A

ATOM 1200 CE1 HIS A 159 16 893 76 484 -20 406 1 oo 50 07 A

ATOM 1201 NΞ2 HIS A 159 18 155 76 264 -20 730 1 oo 50 67 A

ATOM 1202 C HIS A 159 16 835 72 085 -19 204 1 oo 33 oo A

ATOM 1203 O HIS A 159 16 467 72 460 -20 318 1 oo 33 28 A

ATOM 1204 N GLY A 160 17 435 70 919 -18 998 1 oo 31 50 A

ATOM 1205 CA GLY A 160 17 695 70 027 -20 112 1 oo 30 67 A

ATOM 1206 C GLY A 160 16 644 68 946 -20 288 1 oo 30 67 A

ATOM 1207 O GLY A 160 16 906 67 926 -20 918 1 oo 31 73 A

ATOM 1208 N ASN A 161 15 451 69 161 -19 743 1 00 30 44 A

ATOM 1209 CA ASN A 161 14 375 68 181 -19 855 1 00 29 84 A

ATOM 1210 CB ASN A 161 13 053 68 757 -19 348 1 00 31 73 A

ATOM 1211 CG ASN A 161 12 413 69 723 -20. 328 1 oo 34 79 A

ATOM 1212 ODl ASN A 161 11 307 70 211 -20 092 1 oo 38 85 A

ATOM 1213 ND2 ASN A 161 13 100 70 005 -21 425 1 oo 33 22 A

ATOM 1214 C ASN A 161 14 683 66 917 -19 061 1 oo 27 84 A

ATOM 1215 O ASN A 161 15 153 66 984 -17 928 1 oo 25 58 A

ATOM 1216 N ARG A 162 14 406 65 765 -19 662 1 oo 26 oo A

ATOM 1217 CA ARG A 162 14 636 64 491 -18 991 1. oo 26 35 A

ATOM 1218 CB ARG A 162 15 205 63 461 -19 975 1. oo 25 94 A

ATOM 1219 CG ARG A 162 15 528 62 113 -19 344 1. oo 26 15 A

ATOM 1220 CD ARG A 162 16 113 61 134 -20 366 1. oo 28 71 A

ATOM 1221 NE ARG A 162 16 654 59 936 -19 724 1. oo 27 84 A

ATOM 1222 CZ ARG A 162 15 924 58. 904 -19 308 1. oo 29. 50 A

ATOM 1223 NHl ARG A 162 14 607 58. 906 -19 467 1. oo 31. 04 A

ATOM 1224 NH2 ARG A 162 16. 512 57. 869 -18 720 1. oo 27. 65 A

ATOM 1225 C ARG A 162 13. 295 63. 997 -18 462 1. 00 26. 09 A

ATOM 1226 O ARG A 162 12. 284 64. 084 -19. 159 1. 00 26. 66 A

ATOM 1227 N LEU A 163 13. 273 63. 495 -17. 233 1. 00 24. 75 A

ATOM 1228 CA LEU A 163 12. 024 62. 976 -16. 677 1. 00 25. 69 A

ATOM 1229 CB LEU A 163 11. 143 64. 118 -16. 140 1. oo 28. 65 A

ATOM 1230 CG LEU A 163 11. 761 65. 281 -15. 353 1. oo 33. oo A

ATOM 1231 GDI LEU A 163 12. 812 64. 801 -14. 378 1. oo 32. 17 A

ATOM 1232 CD2 LEU A 163 10. 648 66. 039 -14. 644 1. oo 31. 92 A ATOM 1233 C LEU A 163 -12.249 61.962 -15.580 1.00 24.67 A

ATOM 1234 O LEU A 163 -13 .364 61 .810 -15 .077 1 .00 24 .66 A

ATOM 1235 N ARG A 164 -11 .180 61 .258 -15 .216 1 .00 23 .09 A

ATOM 1236 CA ARG A 164 -11 .239 60 .279. -14 .144 1 .00 25 .76 A

ATOM 1237 CB ARG A 164 -10 .614 58 .945 -14 .573 1 .00 30 .48 A

ATOM 1238 CG ARG A 164 -11 .355 58 .207 -15 .684 1 .00 37 .57 A

ATOM 1239 CD ARG A 164 -10 .922 56 .745 -15 .714 1 .00 44 .91 A

ATOM 1240 NE ARG A 164 -11 .356 56 .047 -16 .923 1 .00 49 .14 A

ATOM 1241 CZ ARG A 164 -10 .834 56 .247 -18 .128 1 .00 51 .34 A

ATOM 1242 NHl ARG A 164 -9 .853 57 .126 -18 .294 1 .00 53 .09 A

ATOM 1243 NH2 ARG A 164 -11 .288 55 .566 -19 .170 1 .00 54 .13 A

ATOM 1244 C ARG A 164 -10 .449 60 .841 -12 .971 1 .00 24 .67 A

ATOM 1245 0 ARG A 164 -9 .381 61 .423 -13 .154 1 .00 25 .25 A

ATOM 1246 N CYS A 165 -10 .981' 60 .679 -11 .769 1 .00 23 .65 A

ATOM 1247 CA CYS A 165 -10 .305 61 .167 -10 .574 1 .00 24 .54 A

ATOM 1248 CB CYS A 165 -11 .042 62 .370 -9 .971 1 .00 26 .23 A

ATOM 1249 SG CYS A 165 -11 .277 63 .759 -11 .078 1 .00 32 .08 A

ATOM 1250 C CYS A 165 -10 .253 60 .072 -9 .534 1 .00 25 .03 A

ATOM 1251 0 CYS A 165 -10 .972 59 .075 -9 .616 1 .00 24 .54 A

ATOM 1252 N TYR A 166 -9 .397 60 .275 -8 .544 1 .00 23 .74 A

ATOM 1253 CA TYR A 166 -9 .246 59 .331 -7 .455 1 .oo^' 23 .41 A

ATOM 1254 CB TYR A 166 -7 .757 59 .145 -7 .163 1 .00 25 .30 A

ATOM 1255 CG TYR A 166 -7, .476 58, .188 -6 .041 1, .00 26 .15 A

ATOM 1256 GDI TYR A 166 -7 .717 56 .819 -6 .186 1 .00 28 .32 A

ATOM 1257 CE1 TYR A 166 -7 .458 55, .931 -5 .144 1, .00 30 .61 A

ATOM 1258 CD2 TYR A 166 -6, .974 58, .646 -4, .828 1, .00 28 .64 A

ATOM 1259 CE2 TYR A 166 -6, .715 57, .769 -3 .783 1, .00 29 .74 A

ATOM 1260 CZ TYR A 166 -6. .957 56, .416 -3, .947 1. .00 31 .68 A

ATOM 1261 OH TYR A 166 -6, .687 55, .551 -2 .911 1. .00 33 .88 A

ATOM 1262 C TYR A 166 -9, .961 59, .949 -6, .253 1. .00 24, .29 A

ATOM 1263 0 TYR A 166 -9. .774 61. .130 -5. .958 1. .00 23, .51 A

ATOM 1264 N VAL A 167 -10. .803 59. .177 -5, .576 1. .00 22. .60 A

ATOM 1265 CA VAL A 167 -11. ,513 59. .706 -4. .419 1. ,oo 24, .43 A

ATOM 1266 CB VAL A 167 -12. ,806 58. .908 -4. .136 1. .00 25, .63 A

ATOM 1267 CGI VAL A 167 -13. .553 59. .541 -2. .979 1. ,oo 26. .77 A

ATOM 1268 CG2 VAL A 167 -13. ,693 58. ,883 -5. .381 1. oo 24. .79 A

ATOM 1269 C VAL A 167 -10. ,607 59. ,647 -3. .186 1. ,00 25, .55 A

ATOM . 1270 0 VAL A 167 -10. ,256 58. ,568 -2. ,714 1. oo 26. .21 A

ATOM 1271 N VAL A 168 -10. 225 60. 809 -2. ,673 1. 00 25. .97 A

ATOM 1272 CA VAL A 168 -9. ,347 60. 856 -1. ,512 1. 00 28. .36 A

ATOM 1273 CB VAL A 168 -8. 276 61 ^{■ ;}960 -1. ,655 1. 00 28. ,61 A

ATOM 1274 CGI VAL A 168 -7. 384 61. 658 - -2. ,846 1. 00 28. .99 A

ATOM 1275 CG2 VAL A 168 -8. 936 63. 322 -1. 809 1. 00 29. ,84 A

ATOM 1276 C VAL A 168 -10. 095 61. 059 -o. 209 1. 00 30. ,45 A

ATOM 1277 0 VAL A 168 -9. 544 60. 827 o. .864 1. oo 34. ,13 A

ATOM 1278 N GLY A 169 -11. 351 61. 482 -o. 297 1. oo 30. 02 A

ATOM 1279 CA GLY A 169 -12. 123 61. 692 o. 907 1. oo 31. 67 A

ATOM 1280 C GLY A 169 -13. 620 61. 728 o. 703 1. oo 33. oo A

ATOM 1281 0 GLY A 169 -14. 117 62. 182 -o. 329 1. oo 31. 71 A

ATOM 1282 N VAL A 170 -14. 339 61. 227 1. 699 1. oo 34. 62 A

ATOM 1283 CA VAL A 170 -15. 794 61. 208 1. 682 1. oo 38. 25 A

ATOM 1284 CB VAL A 170 -16. 357 59. 844 1. 221 1. oo 38. 33 A

ATOM 1285 CGI VAL A 170 -17. 874 59. 864 1. 304 1. oo 38. 33 A

ATOM 1286 CG2 VAL A 170 -15. 914 59. 547 -0. 205 1. oo 36. 84 A

ATOM 1287 C VAL A 170 -16. 246 61. 456 3. 114 1. oo 41. 65 A

ATOM 1288 0 VAL A 170 -15. 918 60. 686 4. 015 1. oo 41. 80 A

ATOM 1289 N THR A 171 -16. 984 62. 538 3. 325 1. oo 45. 15 A

ATOM 1290 CA THR A 171 -17. 471 62. 871 4. 656 1. oo 50. 40 A

ATOM 1291 CB THR A 171 -16. 549 63. 890 5. 348 1. 00 50. 55 A

ATOM 1292 OGl THR A 171 -16. 385 65. 038 4. 507 1. oo 52. 07 A

ATOM 1293 CG2 THR A 171 -15. 191 63. 271 5. 630 1. oo 51. 84 A ATOM 1294 C THR A 171 -18.879 63.442 4.596 1.00 53.32 A

ATOM 1295 O THR A 171 -19 .161 64 .351 3 .817 1 .00 53 .14 A

ATOM 1296 N ARG A 172 -19 .764 62 .894 5 .421 1 .00 57 .83 A

ATOM 1297 CA ARG A 172 -21 .147 63 .348 5 .466 1 .00 61 .15 A

ATOM 1298 CB ARG A 172 -21 .980 62 .413 6 .348 1 .00 63 .10 A

ATOM 1299 CG ARG A 172 -21 .474 62 .283 7 . 119 1 .00 64 .92 A

ATOM 1300 CD ARG A 172 -22 .359 61 .344 8 .590 1 .00 66 .99 A

ATOM 1301 NE ARG A 172 -21 .910 61 .221 9 .974 1 .00 68 .25 A

ATOM 1302 CZ ARG A 172 -20 .755 60 .676 10 .343 1 .00 69 .10 A

ATOM 1303 NHl ARG A 172 -19 .921 60 .195 9 .429 1 .00 69 .30 A

ATOM 1304 NH2 ARG A 172 -20 .431 60 .613 11 .629 1 .00 69 .72 A

ATOM 1305 C ARG A 172 -21 .215 64 .769 6 .010 1 .00 62 .59 A

ATOM 1306 O ARG A 172 -20 .484 65 .123 6 .936 1 .00 63 .25 A

ATOM 1307 N LEU A 173 -22 .089 65 .583 5 .427 1 .00 63 .92 A

ATOM 1308 CA LEU A 173 -22 .249 66 .962 5 .868 ^' 1 .00 65 .50 A

ATOM 1309 CB LEU A 173 -21 .944 67 .928 4 .719 0 .00 64 .63 A

ATOM 1310 CG LEU A 173 -20 .517 67 .911 4 .165 0 .00 64 .16 A

ATOM 1311 CD1 LEU A 173 -20 .395 68 .937 3 .050 0 .00 63 .62 A

ATOM 1312 CD2 LEU A 173 -19 .524 68 .214 5 .279 o .00 63 .62 A

ATOM 1313 C LEU A 173 -23 .661 67 .207 6 .388 1 .00 66 .70 A

ATOM 1314 O LEU A 173 -23 .957 66 .943 7 .556 1 .00 67 .08 A

ATOM 1315 N ALA A 174 -24 .531 67 .709 5 .516 1 00 67 .62 A

ATOM 1316 CA ALA A 174 -25 .910 67 .992 5 .891 1. .00 68 .31 A

ATOM 1317 CB ALA A 174 -26 .216 69 .468 5 .673 1 .00 68 .52 A

ATOM 1318 C ALA A 174 -26, .886 67 .133 5 .096 1, .00 68, .87 A

ATOM 1319 O ALA A 174 -27, .318 66 .077 5 .563 1, .00 69, .58 A

ATOM 1320 N ARG A 175 -27, .231 67, .590 3, .896 1, .00 68. .85 A

ATOM 1321 CA ARG A 175 -28, .162 66 .862 3 .040 1, .00 68. .62 A

ATOM 1322 CB ARG A 175 -29, .157 67 .832 2 .393 1, .00 70. .13 A

ATOM 1323 CG ARG A 175 -30, .368 67, .153 1, .766 1, .00 71. ,65 A

ATOM 1324 CD ARG A 175 -31. .499 66. ,987 2, .774 1. .00 73. .76 A

ATOM 1325 NE ARG A 175 -32. .274 68. .216 2. ,925 1. .00 75. .79 A

ATOM 1326 CZ ARG A 175 -33. .062 68, .722 1, .980 1. .00 76. .63 A

ATOM 1327 NHl ARG A 175 -33. ,183 68. .104 o. .812 1. .00 77. .16 A

ATOM 1328 NH2 ARG A 175 -33. ,725 69. ,850 2. .199 1. ,oo 77. ,05 A

ATOM 1329 C ARG A 175 -27. ,416 66. .096 1. .947 1. ,oo 67. ,36 A

ATOM 1330 O ARG A 175 -28. ,022 65. ,346 1. ,180 1. ,oo 68. 09 A

ATOM 1331 N GLU A 176 -26. 101 66. ,290 1. ,880 1. oo 65. 01 A

ATOM 1332 CA GLU A 176 -25. ,272 65. ,618 o. .882 1. ,oo 62. ,20 A

ATOM 1333 CB GLU A 176 -25. ,414 66. ,309 -o. ,478 1. oo 64. 16 A

ATOM 1334 CG GLU A 176 -25. 092 67. ,795 -o. .455 1. oo 67. 02 A

ATOM 1335 CD GLU A 176 -24. 952 68. 386 -1. ,846 1. oo 68. 84 A

ATOM 1336 OE1 GLU A 176 -25. 909 68. 280 -2. 642 1. oo 69. 94 A

ATOM 1337 OE2 GLU A 176 -23. 882 68. 961 -2. ,141 1. oo 70. 35 A

ATOM 1338 C GLU A 176 -23. 798 65. 596 1. 290 1. oo 58. 45 A

ATOM 1339 O GLU A 176 -23. 207 66. 638 1. 577 1. oo 59. 21 A

ATOM 1340 N PRO A 177 -23. 187 64. 400 1^'. 319 1. oo 54. 24 A

ATOM 1341 CD PRO A 177 -23. 859 63. 095 1. 186 1. oo 54. 00 A

ATOM 1342 CA PRO A 177 -21. 778 64. 216 1. 690 1. oo 50. 00 A

ATOM 1343 CB PRO A 177 -21. 606 62. 697 1. 647 1. oo 5l. 50 A

ATOM 1344 CG PRO A 177 -22. 971 62. 196 2. 013 1. oo 53. 05 A

ATOM 1345 C PRO A 177- -20. 787 .64. 924 0. 765 1. oo 45. 33 A

ATOM 1346 O PRO A 177 -21. 040 65. 088 -0. 432 1. oo 42. 87 A

ATOM 1347 N LEU A 178 -19. 660 65. 342 1. 335 1. oo 40. 35 A

ATOM 1348 CA LEU A 178 -18. 616 66. 017 0. 573 1. oo 36. 06 A

ATOM 1349 CB LEU A 178 -17. 841 66. 998 1. 466 1. oo 36. 35 A

ATOM 1350 CG LEU A 178 -16. 627 67. 688 o. 833 1. oo 34. 89 A

ATOM 1351 CD1 LEU A 178 -17. 065 68. 493 -0. 386 1. oo 36. 34 A

ATOM 1352 CD2 LEU A 178 -15. 957 68. 596 1. 856 1. oo 36. 69 A

ATOM 1353 C LEU A 178 -17. 656 64. 973 0. 018 1. oo 32. 85 A

ATOM 1354 O LEU A 178 -17. 040 64. 225 0. 774 1. oo 32. 93 A ATOM 1355 N ILE A 179 -17.543 64.928 -1.305 1.00 30.09 A

ATOM 1356 CA ILE A 179 -16 .656 63 .989 -1 .974 1 .00 27 .46 A

ATOM 1357 CB ILE A 179 -17 .386 63 .267 -3 .140 1 .00 27 .65 A

ATOM 1358 CG2 ILE A 179 -16 .419 62 .342 -3 .878 1 .00 27 .53 A

ATOM 1359 CGI ILE A 179 -18 .571 62 .463 -2 .589 1 .00 27 .89 A

ATOM 1360 GDI ILE A 179 -19 .435 61 .825 -3 .675 1 .00 28 .15 A

ATOM 1361 C ILE A 179 -15 .463 64 .766 -2 .527 1 .00 25 .52 A

ATOM 1362 O ILE A 179 -15 .616 65 .616 -3 .396 1 .00 25 .70 A

ATOM 1363 N THR A 180 -14 .277 64 .469 -2 .005 1 .00 23 .85 A

ATOM- 1364 CA THR A 180 -13 .060 65 .143 -2 .432 1 .00 23 .78 A

ATOM 1365 CB THR A 180 -12 .155 65 .421 -1 .217 1 .00 25 .04 A

ATOM 1366 OGl THR A 180 -12 .886 66 .199 -o .262 1 .00 29 .48 A

ATOM 1367 CG2 THR A 180 -10 .913 66 .182 -1 .636 1 .00 26 .14 A

ATOM 1368 C THR A 180 -12 .339 64 .267 -3 .448 1 .00 21 .94 A

ATOM 1369 O THR A 180 -12 .074 63 .093 -3 .190 1 .00 23 .76 A

ATOM 1370 N LEU A 181 -12 .016 64 .858 -4 .596 1 .00 21 .50 A

ATOM 1371 CA LEU A 181 -11 .373 64 .159 -5 .705 1 .00 22 .34 A

ATOM 1372 CB LEU A 181 -12 .171 64 .396 -6 .990 1 .00 21 .16 A

ATOM 1373 CG LEU A 181 -13 .649 64 .021 -6 .932 1 .00 23 .34 A

ATOM 1374 CD1 LEU A 181 -14 .368 64 .495 -8 .198 1 .00 24 .18 A

ATOM 1375 CD2 LEU A 181 -13 .762 62 .518 -6 .771 1 .00 22 .39 A

ATOM 1376 C LEU A 181 -9 .952 64 .646 -5 .940 1 .00 22 .19 A

ATOM 1377 O LEU A 181 -9 .615 65 .775 -5 .600 1, .00 22 .11 A

ATOM 1378 N SER A 182 -9 .138 63 .801 -6 .561 1, .00 20 .85 .A

ATOM 1379 CA SER A 182 -7 .759 64 .166 -6. .841 1, .00 22 .82 A

ATOM 1380 CB SER A 182 -6 .839 63 .582 -5, .764 1. .00 22 .89 A

ATOM 1381 OG SER A 182 -5, .486 63, .828 -6. .096 1. .00 24 .03 A

ATOM 1382 C SER A 182 -7, .271 63, .703 -8, .202 1. .00 22 .70 A

ATOM 1383 O SER A 182 -7 .591 62 .600 8, .648 1, .00 24 .79 A

ATOM 1384 N ARG A 183 -6 .499 64, .557 -8, .865 1. .00 21 .22 A

ATOM 1385 CA ARG A 183 -5, .917 64, .226 -10, .154 1. .00 21 .11 ^• A

ATOM 1386 CB ARG A 183 -6, .160 65, .353 -11, .157 1. .00 22. .61 A

ATOM 1387 CG ARG A 183 -7. .576 65, .377 -11. .735 1. .00 20, .92 A

ATOM 1388 CD ARG A 183 -7, .746 64. .263 -12. .770 1. ,oo 21, .08 A

ATOM 1389 NE ARG A 183 -6. .970 64. .526 -13. .986 1. ,oo 20. .98 A

ATOM 1390 CZ ARG A 183 -6. ,902 63. ,700 -15. ,029 1. .00 22. .15 A

ATOM 1391 NHl ARG A 183 -7. ,564 62. ,548 -15. ,014 1. oo 20. .73 A

ATOM 1392 NH2 ARG A 183 -6. ,166 64. ,020 -16. ,086 1. oo 21. .99 A

ATOM 1393 C ARG A 183 -4. 409 64. ,026 -9. ,960 1. oo 22. ,62 A

ATOM 1394 o^' ARG A 183 -3. 712 63. ,582 -10. 860 1. 00 22. ,81 A

ATOM 1395 N THR A 184 -3. 914 64. 336 -8. 767 1. oo 20. 80 A

ATOM 1396 CA THR A 184 -2. 476 64. 208 -8. 508 1. oo 24. 09 A

ATOM 1397 CB THR A 184 -1. 954 65. 430 -7. ,722 1. oo 25. ,83 A

ATOM 1398 OGl THR A 184 -2. 666 65. 523 -6. 486 1. oo 24. ,99 A

ATOM 1399 CG2 THR A 184 -2. 150 66. 705 -8. 515 1. oo 24. 98 A

ATOM 1400 C THR A 184 -2. 024 62. 961 -7. 752 1. oo 23. 56 A

ATOM 1401 O THR A 184 -0. 848 62. 601 -7. 791 1. oo 25. 63 A

ATOM 1402 N HIS A 185 -2. 944 62. 296 -7. 070 1. oo 23. 20 A

ATOM 1403 CA HIS A 185 -2. 596 61. 123 -6. 279 1. oo 24. 26 A

ATOM 1404 CB HIS A 185 -3. 844 60. 600 -5. 565 1. oo 24. 62 A

ATOM 1405 CG HIS A 185 -3. 550 59. 745 -4. 375 1. oo 26. 04 A

ATOM 1406 CD2 HIS A 185 -3. 137 58. 460 -4. 285 1. oo 24. 02 A

ATOM 1407 ND1 HIS A 185 -3. 675 60. 201 -3. 080 1. oo 28. 82 A

ATOM 1408 CEl HIS A 185 -3. 351 59. 231 -2. 243 1. oo 26. 09 A

ATOM 1409 NE2 HIS A 185 -3. 021 58. 165 -2. 950 1. oo 29. 53 A

ATOM 1410 C HIS A 185 -1. 955 59. 993 -7. 086 1. oo 23. 40 A

ATOM 1411 O HIS A 185 -2. 350 59. 710 -8. 205 1. oo 22. 44 A

ATOM 1412 N PRO A 186 -0. 933 59. 335 -6. 519 1. oo 24. 20 A

ATOM 1413 CD PRO A 186 -0. 225 59. 637 -5. 266 1. oo 25. 84 A

ATOM 1414 CA PRO A 186 -0. 280 58. 237 -7. 243 1. oo 23. 96 A

ATOM 1415 CB PRO A 186 0. 914 57. 876 -6. 337 1. oo 22. 85 A ATOM 1416 CG PRO A 186 o .465 58.324 -4.972 1.00 26.58 A

ATOM 1417 C PRO A 186 -1 .211 57 .055 -7 .487 1 .00 22 .70 A

ATOM 1418 O PRO A 186 -1 .057 56 .331 -8 .471 1 .00 22 .99 A

ATOM 1419 N ASN A 187 -2 .178 56 .853 -6 .595 1 .00 22 .09 A

ATOM 1420 CA ASN A 187 -3 .110 55 .741 -6 .758 1 .00 22 .52 A

ATOM 1421 CB ASN A 187 -4 .037 55 .609 -5 .540 1 .00 24 .11 A

ATOM 1422 CG ASN A 187 -3 .345 54 .972 -4 .341 1 .00 31 .60 A

ATOM 1423 ODl ASN A 187 -3 .920 54 .868 -3 .253 1 .00 33 .66 A

ATOM 1424 ND2 ASN A 187 -2 .113 54 .534 -4 .540 1 .00 28 .19 A

ATOM 1425 C ASN A 187 -3 .951 55 .889 -8 .024 1 .00 24 .18 A

ATOM 1426 O ASN A 187 -4 .490 54 .902 -8 .521 1 .00 24 .16 A

ATOM 1427 N LEU A 188 -4 .084 57 .111 -8 .539 1 .00 22 .98 A

ATOM 1428 CA LEU A 188 -4 .846 57 .308 -9 .781 1 .00 23 .64 A

ATOM 1429 CB LEU A 188 -4 .906 58 .787 -10 .169 1 .00 23 .64 A

ATOM 1430 CG LEU A 188 -5 .684 59 .125 -11 .450 1 .00 24 .51 A

ATOM 1431 CD1 LEU A 188 -7 .107 58 .576 -11 .378 1 .00 25 .37 A

ATOM 1432 CD2 LEU A 188 -5 .711 60 .637 -11 .624 1 .00 26 .49 A

ATOM 1433 C LEU A 188 -4 .157 56 .524 -10 .894 1 .00 24 .12 A

ATOM 1434 O LEU A 188 -4 .817 55 .931 -11 .747 1 .00 23 .62 A

ATOM 1435 N VAL A 189 -2 .823 56 .525 -10 .887 1 .00 23 .00 A

ATOM 1436 CA VAL A 189 -2 .069 55 .788 -11 .896 1. .00 24 .11 A

ATOM 1437 CB VAL A 189 -o .550 56 .098 -11 .810 1 .00 24 .77 A

ATOM 1438 CGI VAL A 189 o .205 55 .296 -12 .857 1 .00 24 .20 A

ATOM 1439 CG2 VAL A 189 -o .310 57 .587 -12 .004 1, .00 25 .52 A

ATOM 1440 C VAL A 189 -2 .293 54 .285 -11, .688 1, .00 23 .54 A

ATOM 1441 O VAL A 189 -2 .485 53 .547 -12, .652 1, .00 22 .90 A

ATOM 1442 N ARG A 190 -2 .265 53 .833 -10, .434 1, .00 24, .48 A

ATOM 1443 CA ARG A 190 - .501 52, .414 -10, .143 1, .00 26, .62 A

ATOM 1444 CB ARG A 190 -2, .533 52, .136 -8, .637 1, .00 29, .61 A

ATOM 1445 CG ARG A 190 -1, .200 51, .954 -7, .965 1. .00 32, .43 A

ATOM 1446 CD ARG A 190 -1, .411 51, .566 -6. ,502 1. .00 34, .09 A

ATOM 1447 NE ARG A 190 -o. .160 51. .541 -5. .753 1. .00 36. .09 A

ATOM 1448 CZ ARG A 190 o. .505 50. .438 -5. .434 I-. ,oo 36. .64 A

ATOM 1449 NHl ARG A 190 o. .041 49. .250 -5. ,794 1. .00 36. .70 A

ATOM 1450 NH2 ARG A 190 1. .640 50. ,527 -4. ,755 1. ,00 36. .53 A

ATOM 1451 C ARG A 190 -3. ,851 52. ,002 -10. ,702 1. .00 27. ,02 A

ATOM 1452 O ARG A 190 -3. ,966 50. .994 -11. ,398 1. .00 24. ,84 A

ATOM 1453 N LYS A 191 -4. ,872 52. ,790 -10. 368 1. oo 26. ,21 A

ATOM 1454 CA LYS A 191 -6. ,232 52. 519 -10. 810 l^'. oo 28. 22 A

ATOM 1455 CB LYS A 191 -7. 198 53. 531 -10. 184 1. oo 29. ,58 A

ATOM 1456 CG LYS A 191 -7. 445 53. 311 -8. 701 1. oo 34. 48 A

ATOM 1457 CD LYS A 191 -8. 308 52. 085 -8. 476 1. oo 37. 37 A

ATOM 1458 CE LYS A 191 -8. 538 51. 825 -7. 007 1. oo 39. 92 A

ATOM 1459 NZ LYS A 191 -9. 334 50. 584 -6. 824 1. oo 40. 01 A

ATOM 1460 C LYS A 191 -6. 417 52. 498 -12. 319 1. oo 24. 70 A

ATOM 1461 O LYS A 191 -7. 133 51. 640 -12. 834 1. oo 26. 62 A

ATOM 1462 N LEU A 192 -5. 792 53. 43-1 -13. 036 1. 00 21. 32 A

ATOM 1463 CA LEU A 192 -5. 935 53. 469 -14. 493 1. 00 21. 34 A

ATOM 1464 CB LEU A 192 -5. 312 54. 749 -15. 069 1. 00 21. 90 A

ATOM 1465 CG LEU A 192 -6. 065 56. 037 -14. 716 1. 00 23. 06 A

ATOM 1466 CD1 LEU A 192 -5. 246 57. 259 -15. 143 1. 00 22. 66 A

ATOM 1467 CD2 LEU A 192 -7. 434 56. 025 -15. 414 1. 00 23. oo A

ATOM 1468 C LEU A 192 -5. 302 52. 244 -15. 151 1. 00 21. 04 A

ATOM 1469 O LEU A 192 -5. 818 51. 721 -16. 138 1. 00 20. 76 A

ATOM 1470 N PHE A 193 -4. 174 51. 792 -14. 615 1. oo 20. 10 A

ATOM 1471 CA PHE A 193 -3. 534 50. 620 -15. 182 1. oo 21. 10 A

ATOM 1472 CB PHE A 193 -2. 130 50. 422 -14. 599 1. oo 21. 21 A

ATOM 1473 CG PHE A 193 -1. 048 51. 068 -15. 422 1. oo 22. 05 A

ATOM 1474 CD1 PHE A 193 -o. 512 52. 293 -15. 056 1. oo 21. 89 A

ATOM 1475 CD2 PHE A 193 -o. 603 50. 465 -16. 596 1. oo 22. 96 A

ATOM 1476 CEl PHE A 193 o. 455 52. 917 -15. 849 1. 00 22. 49 A ATOM 1477 CE2 PHE A 193 0.362 51.076 -17.399 1.00 24.32 A

ATOM 1478 CZ PHE A 193 0 .891 52 .305 -17 .026 1 .00 24 .33 A

ATOM 1479 C PHE A 193 -4 .379 49 .378 -14 .956 1 .00 23 .26 A

ATOM 1480 O PHE A 193 -4 .392 48 .473 -15 .790 1 .00 24 .73 A

ATOM 1481 N SER A 194 -5 .090 49 .332 -13 .836 1 .00 25 .33 A

ATOM 1482 CA SER A 194 -5 .933 48 .182 -13 .555 1 .00 26 .08 A

ATOM 1483 CB SER A 194 -6 .512 48 .276 -12 .144 1 .00 29 .60 A

ATOM 1484 OG SER A 194 -7 .212 47 .082 -11 .810 1 .00 32 .89 A

ATOM 1485 C SER A 194 -7 .051 48 .160 -14 .592 1 .00 27 .61 A

ATOM 1486 O SER A 194 -7 .426 47 .100 -15 .103 1 .00 27 .87 A

ATOM 1487 N LEU A 195 -7 .566 49 .339 -14 .923 1 .00 25 .78 A

ATOM 1488 CA LEU A 195 -8 .635 49 .441 -15 .909 1 .00 26 .98 A

ATOM 1489 CB LEU A 195 -9 .267 50 .839 -15 .870 1 .00 27 .75 A

ATOM 1490 CG LEU A 195 -10 .142 51 .223 -14 .673 - 1 .00 31 .33 A

ATOM 1491 CD1 LEU A 195 -10 .526 52 .694 -14 .788 1 .00 30 .29 A

ATOM 1492 CD2 LEU A 195 -11 .392 50 .346 -14 .631 1 .00 31 .42 A

ATOM 1493 C LEU A 195 -8 .168 49 .155 -17 .336 1 .00 28 .50 A

ATOM 1494 O LEU A 195 -8 .958 48 .731 -18 .177 1 .00 29 .48 A

ATOM 1495 N GLU A 196 -6 .888 49 .386- -17 .608 1 .00 27 .30 A

ATOM 1496 CA GLU A 196 -6 .346 49 .192 -18 .951 1, .00 26 .19 A

ATOM 1497 CB GLU A 196 -5 .359 50 .321 -19 .265 1, .00 30 .23 A

ATOM 1498 CG GLU A 196 -4 .869 50 .354 -20 .697 1. .00 34 .90 A

ATOM 1499 CD GLU A 196 -6 .002 50 .588 -21 .681 1, .00 39 .21 A

ATOM 1500 OE1 GLU A 196 -6 .861 51 .451 -21 .395 1, .00 39 .55 A

ATOM 1501 OE2 GLU A 196 -6 .025 49 .916 -22 .736 1, .00 42 .96 A

ATOM 1502 C GLU A 196 -5 .647 47 .856 -19; .179 1. .00 26 .17 A

ATOM 1503 O GLU A 196 -5, .515 47 .414 -20 .318 1. .00 26, .34 A

ATOM 1504 N VAL A 197 -5, .200 47, .221 -18, .100 1, .00 22, .52 A

ATOM 1505 CA VAL A 197 -4, .476 45, .956 -18, .204 1. .00 20, .92 A

ATOM 1506 CB VAL A 197 -3. .082 46, .093 -17, .539 1. .00 22, .89 A

ATOM 1507 CGI VAL A 197 -2. .257 44. .824 -17, .756 1. .00 21. ,19 A

ATOM 1508 CG2 VAL A 197 -2. .350 47, .305 -18. .128 1. .00 22, .54 A

ATOM 1509 C VAL A 197 -5. .243 44, .810 -17. .540 1. ,oo 22, .73 A

ATOM 1510 O VAL A 197^' -5. .313 44, .730 -16. .320 1. ,oo 20. .21 A

ATOM 1511 N PRO A 198 -5. .817 43. ,902 -18. .343 1. ,oo 23. .30 A

ATOM 1512 CD PRO A 198 -5. ,871 43. .926 -19. .816 1. .00 25. .44 A

ATOM 1513 CA PRO A 198 -6. ,578 42. ,764 -17: .809 1. oo 23. .63 A

ATOM 1514 CB PRO A 198 -6. ,944 41. ,968 -19. .067 1. oo 24. .73 A

ATOM 1515 CG PRO A 198 -7. 053 43. ,033 -20. ,114 1. oo 28. ,22 A

ATOM 1516 C PRO A 198 -5. ,795 41. ,915 -16, .805 1. oo 21. .99 A

ATOM 1517 O PRO A 198 -6. ,365 41. ,397 -15. .849 1. oo 24, .20 A

ATOM 1518 N GLU A 199 -4. ,492 41. ,773 -17. .033 1. oo 21. ,70 A

ATOM 1519 CA GLU A 199 -3. 642 40. ,986 -16. ,144 1. oo 23. ,26 A

ATOM 1520 CB GLU A 199 -2. 248 40. 805 -16. ,752 1. oo 25. ,69 A

ATOM 1521 CG GLU A 199 -2. 215 39. 866 -17. 949 1. oo 29. ,23 A

ATOM 1522 CD GLU A 199 -2. 513 40. 555 -19. 269 1. oo 33. 59 A

ATOM 1523 OE1 GLU A 199 -2. 916 41. 739 -19. 271 1. oo 33. 72 A

ATOM 1524 OE2 GLU A 199 -2. 343 39. 902 -20. 318 1. oo 36. ,36 A

ATOM 1525 C GLU A 199 -3. 522 41. ,617 -14. ,767 1. oo 21. ,82 A

ATOM 1526 O GLU A 199 -3. 337 40. 918 -13. 768 1. oo 21. 29 A

ATOM 1527 N ILE A 200 -3. 610 42. 941 -14. 708 1. oo 19. 83 A

ATOM 1528 CA ILE A 200 -3. 534 43. 614 -13. 417 1. oo 20. 55 A

ATOM 1529 CB ILE A 200 -3. 159 45. 102 -13. 573 1. oo 20. 98 A

ATOM 1530 CG2 ILE A 200 -3. 322 45. 822 -12. 246 ^• 1. oo 22. 58 A

ATOM 1531 CGI ILE A 200 ^•-1. 700 45. 220 -14. 043 1. oo 22. 75 A

ATOM 1532 CD1 ILE A 200 -1. 236 46. 661 -14. 311 1. oo 24. 63 A

ATOM 1533 C ILE A 200 -4. 893 43. 495 -12. 727 1. oo 20. 86 A

ATOM 1534 O ILE A 200 -4. 978 43. 275 -11. 519 1. oo 21. 25 A

ATOM 1535 N ALA A 201 -5. 967 43. 633 -13. 497 1. oo 20. 90 A

ATOM 1536 CA ALA A 201 -7. 296 43. 517 -12. 908 1. oo 21. 13 A

ATOM 1537 CB ALA A 201 -8. 367 43. 808 -13. 967 1. oo 19. 34 A ATOM 1538 C ALA A 201 -7.515 42.127 -12.293 1.00 21.77 A

ATOM 1539 O ALA A 201 -8 .137 42 .001 -11 .239 1 .00 22 .30 A

ATOM 1540 N ASP A 202 -7 .001 41 .079 -12 .934 1 .00 22 .96 A

ATOM 1541 CA ASP A 202 -7 .212 39 .740 -12 .391 1 .00 24 .50 A

ATOM 1542 CB ASP A 202 -7 .497 38 .720 -13 .516 1 .00 25 .37 A

ATOM ' 1543 CG ASP A 202 -6 .323 38 .514 -14 .475 1 .00 29 .61 A

ATOM 1544 ODl ASP A 202 -5 .148 38 .563 -14 .051 1 .00 27 .43 A

ATOM 1545 OD2 ASP A 202 -6 .592 38 .257 -15 .672 1 .00 30 .36 A

ATOM 1546 C ASP A 202 -6 .121 39 .209 -11 .456 1 .00 25 .71 A

ATOM 1547 O ASP A 202 -6 .169 38 .052 -11 .043 1 .00 25 .88 A

ATOM 1548 N GLY A 203 -5 .151 40 .051 -11 .110 1 .00 22 .97 A

ATOM 1549 CA GLY A 203 -4 .096 39 .609 -10 .212 1 .00 24 .23 A

ATOM 1550 C GLY A 203 -2 .957 38 .792 -10 .813 1 .00 25 .77 A

ATOM 1551 O GLY A 203 -2 .108 38 .289 -10 .074 1 .00 27 .39 A

ATOM 1552 N SER A 204 -2 .930 38 .635 -12 .132 1 .00 24 .33 A

ATOM 1553 CA SER A 204 -1 .849 37 .895 -12 .773 1 .00 24 .86 A

ATOM 1554 CB SER A 204 -2 .175 37 .628 -14 .248 1 .00 26 .33 A

ATOM 1555 OG SER A 204 -3 .228 36 .690 -14 .372 1 .00 31 .84 A

ATOM 1556 C SER A 204 -o. .566 38 .720 -12 .685 1 .00 25 .77 A

ATOM 1557 O SER A 204 o .536 38 .173 -12 .•606 1, .00 24 .48 A

ATOM 1558 N VAL A 205 -o .726 40 .041 -12 .707 1 .00 24 .23 A

ATOM 1559 CA VAL A 205 o .394 40 .978 -12 .609 1, .00 22 .89 A

ATOM 1560 CB VAL A 205 o .580 41 .794 -13 .924 1, .00 25 .30 A

ATOM 1561 CGI VAL A 205 1 .604 42 .915 -13 .716 1, .00 26 .32 A

ATOM 1562 CG2 VAL A 205 1, .046 40 .875 -15 .040 1. .00 25, .59 A

ATOM 1563 C VAL A 205 o, .056 ^' 41 .936 -11 .477 1. .00 23. .27 A

ATOM 1564 O VAL A 205 -1, .077 42 .405 -11 .388 1, .00 22 .92 A

ATOM 1565 N GLU A 206 1, .025 42 .211 -10 .607 1. .00 22. .15 A

ATOM 1566 CA GLU A 206 o, .803 43, .117 -9 .484 I; .00 22, .46 A

ATOM 1567 CB GLU A 206 1. ,222 42, .459 -8, .161 1. .00 25. .49 A

ATOM 1568 CG GLU A 206 o. .561 41. .120 -7. .858 1. ,00 29. .24 A

ATOM 1569 CD GLU A 206 1. .130 40. .463 -6. .608 1. ,oo 32. .27 A

ATOM 1570 OE1 GLU A 206 2. .298 .40. .765 -6, .261 1. ,oo 33. .50 A

ATOM 1571 OE2 GLU A 206 o. .425 39. .632 -5, .986 1. ,oo 28. .81 A

ATOM 1572 C GLU A 206 1. ,594 44. .406 -9. ,617 1. ,oo 23. .44 A

ATOM 1573 O GLU A 206 2. ,715 44. .406 -10. .124 1. oo 23. ,77 A

ATOM 1574 N ILE A 207 1. ,006 45. ,505 -9. ,156 1. oo 23. ,98 A

ATOM, 1575 CA ILE A 207 1. 702 46. ,784 -9. ,144 1. oo 25. ,50 A

ATOM 1576 CB ILE A 207 o. ,735 47. ,965 -9. .340 1. oo 27. .19 A

ATOM 1577 CG2 ILE A 207 1. 449 49. ,278 -9. ,032 1.. oo 26. ,64 A

ATOM 1578 CGI ILE A 207 Ό. 198 47. ,949 -10. ,776 1. oo 28. ,34 A

ATOM 1579 CD1 ILE A 207 -o. 825 49. 032 -11. 088 1. oo 30. .82 A

ATOM 1580 C ILE A 207 2. 292 46. 824 -7. 733 1. oo 24. 33 A

ATOM 1581 O ILE A 207 1. 558 46. 838 -6. 745 1. oo 26. 54 A

ATOM 1582 N VAL A 208 3. 617 46. .817 -7. .644 1. oo 23. 01 A

ATOM 1583 CA VAL A 208 4. 308 46. 802 -6. 356 1. oo 23. 29 A

ATOM 1584 CB VAL A 208 5. 709 46. 157 -6. 513 1. oo 25. 43 A

ATOM 1585 CGI VAL A 208 6. 423 46. 094 -5. 177 1. oo 27. 71 A

ATOM 1586 CG2 VAL A 208 5. 564 44. 759 -7. 110 1. oo 27. 25 A

ATOM 1587 C VAL A 208 4. 477 48. 187 -5. 746 1. oo 23. 76 A

ATOM 1588 O VAL A 208 4. 397 48. 358 -4. 529 1. oo 24. 89 A

ATOM 1589 N ALA A 209 4. 724 49. 179 -6. 591 1. oo 20. 86 A

ATOM 1590 CA ALA A 209 4. 930 50. 534 -6. 113 1. oo 21. 75 A

ATOM 1591 CB ALA A 209 6. 352 50. 673 -5. 547 1. oo 23. 43 A

ATOM 1592 C ALA A 209 4. 721 51. 543 -7. 229 1. oo 20. 56 A

ATOM 1593 O ALA A 209 4. 772 51. 200 -8. 409 1. oo 20. 12 A

ATOM 1594 N VAL A 210 4. 484 52. 789 -6. 836 1.oo 20. 98 A

ATOM 1595 CA VAL A 210 4. 282 53. 875 -7. 779 1. oo 22. 05 A

ATOM 1596 CB VAL A 210 2. 773 54. 163 -7. 999 1. oo 24. 61 A

ATOM 1597 CGI VAL A 210 2. 599 55. 387 -8. 898 1. oo 25. 08 A

ATOM 1598 CG2 VAL A 210 2. 099 52. 950 -8. 630 1. oo 29. 07 A ATOM 1599 C VAL A 210 4.943 55.126 -7.213 1.00 22.63 - A

ATOM 1600 O VAL A 210 4 .859 55 .386 -6 .016 1 .00 24 .40 A

ATOM 1601 N ALA A 211 5 .639 55 .863 -8 .069 1 .00 20 .15 A

ATOM 1602 CA ALA A 211 6 .282 57 .114 -7 .672 1 .00 22 .11 A

ATOM 1603 CB ALA A 211 7 .799 56 .992 -7 .749 1 .00 .24 .66 A

ATOM 1604 C ALA A 211 5 .770 58 .097 -8 .713 1 .00 22 .12 A

ATOM ^' 1605 O ALA A 211 5 .894 57 .858 -9 .912 1 .00 21 .88 A

ATOM 1606 N ARG A 212 5 .186 59 .200 -8 .268 1 .00 21 .68 A

ATOM 1607 CA ARG A 212 4 .624 60 .135 -9 .222 1 .00 21 .12 A

ATOM 1608 CB ARG A 212 3 .104 59 .947 -9 .255 1 .00 21 .01 A

ATOM 1609 CG ARG A 212 2 .402 60 .840 -10 .269 1 .00 24 .52 A

ATOM 1610 CD ARG A 212 o .898 60 .609 -10 .323 1 .00 24 .18 A

ATOM 1611 NE ARG A 212 o .335 61 .377 -11 .429 1 .00 24 .04 A

ATOM 1612 CZ ARG A 212 -o .938 61 .741 -11 .538 1 .00 23 .18 A

ATOM 1613 NHl ARG A 212 -1 .819 61 .407 -10 .602 1 .00 21 .21 A

ATOM 1614 NH2 ARG A 212 -1 .319 62 .466 -12 .582 1 .00 23 .18 A

ATOM 1615 C ARG A 212 4 .933 61 .604 -8 .996 1 .00 21 .47 A

ATOM 1616 O ARG A 212 4 .911 62 .090 -7 .870 1 .00 22 .86 A

ATOM 1617 N GLU A 213 5 .241 62 .293 -10 .087 1 .00 23 .65 A

ATOM 1618 CA GLU A 213 5 .473 63 .731 -10 .072 1 .00 25 .35 A

ATOM 1619 CB GLU A 213 6 .878 64, .071 -10 .579 1 .00 30 .61 A

ATOM 1620 CG GLU A 213 7, .984 63 .399 -9 .764 1 .00 38 .44 A

ATOM 1621 CD - GLU A 213 9, .042 64, .366 -9 .247 1 .00 42 .72 A

ATOM 1622 OE1 GLU A 213 9, .697 65, .038 -10 .070 1 .00 43 .42 A

ATOM 1623 OE2 GLU A 213 9, .220 64, .448 -8 .010 1 .00 47, .08 A

ATOM 1624 C GLU A 213 4, .392 64. .176 -11, .066 1, .00 24, .82 A

ATOM 1625 O GLU A 213 4. .638 64, .304 -12 .264 1, .00 24, .44 A

ATOM 1626 N ALA A 214 3, .184 64, .351 -10, .538 1, .00 25, .12 A

ATOM 1627 CA ALA A 214 2, .002 64, .709 -11, .322 1, .00 26, .27 A

ATOM 1628 CB ALA A 214 o. .869 65, .108 -10, .389 1. .00 25, .69 A

ATOM 1629 C ALA A 214 2. .202 65. .785 -12, .375 1, .00 26. .87 A

ATOM 1630 O ALA A 214 2. ,658 66, .889 -12, .074 1. .00 28, .40 A

ATOM 1631 N GLY A 215 1. .831 65. .450 -13, .606 1. .00 27. .46 A

ATOM 1632 CA GLY A 215 1. .958 66. .380 -14. .711 1. .00 27. .87 A

ATOM 1633 C GLY A 215 3. ,286 66. .263 -15. .425 1. .00 29. .88 A

ATOM 1634 O GLY A 215 3. .510 66. .904 -16. .456 1. .00 30. ,71 A

ATOM 1635 N HIS A 216 4. .177 65. .437 -14. .889 1. ,00 26. .67 A

ATOM 1636 CA HIS A 216 5. .486 65. ,281 -15. .502 1. .00 26, ,55 A

ATOM 1637 CB HIS A 216 6. ,545 65. ,907 -14. .595 1. .00 30. .09 A

ATOM 1638 CG HIS A 216 6. ,327 67. ,366 -14. .340 1. .00 33. ,43 A

ATOM 1639 CD2 HIS A 216 5. ,769 68. ,012 -13. .289 1. ,oo 36. ,36 A

ATOM 1640 ND1 HIS A 216 6. ,661 68. ,341 -15. ,256 1. .00 37. .39 A

ATOM 1641 CEl HIS A 216 6. ,317 69. ,525 -14. .780 1. ,oo 37. .23 A

ATOM 1642 NE2 HIS A 216 5. .773 69. ,353 -13. ,588 1. ,oo 37. .20 A

ATOM 1643 C HIS A 216 5. ,861 63. ,838 -15. ,810 1. ,00 24. ,78 A

ATOM 1644 O HIS A 216 6. 068 63. .481 -16. ,967 1. ,00 25. ,48 A

ATOM ^■ 1645 N ARG A 217 5. 951 63. 008 -14. ,777 1. ,00 22. .99 A

ATOM 1646 CA ARG A 217 6. 341 61. 620 -14. ,980 1. ,00 23. ,69 A

ATOM 1647 CB ARG A 217 7. 840 61. 570 -15. ,311 1. ,00 25. ,21 A

ATOM 1648 CG ARG A 217 8. 396 60. 195 -15. ,605 1. .00 29. ,07 A

ATOM 1649 CD ARG A 217 9. 872 60. 299 -15. ,997 1. 00 32. ,76 A

ATOM 1650 NE ARG A 217 10. 181 59. 391 -17. ,095 1. 00 40. ,29 A

ATOM 1651 CZ ARG A 217 10. 730 59. 765 -18. ,246 1. oo 36. ,75 A

ATOM 1652 NHl ARG A 217 11. 043 61. 038 -18. 460 1. oo 38. 12 A

ATOM 1653 NH2 ARG A 217 10. 961 58. 861 -19. ,185 1. oo 40. 47 A

ATOM 1654 C ARG A 217 6. 072 60. 761 -13. ,754 1. oo 21. ,76 A

ATOM 1655 O ARG A 217 6. 146 61. 238 -12. 622 1. oo 21. 11 A

ATOM 1656 N SER A 218 5. 772 59. 491 -14. 003 1. oo 20. 89 A

ATOM 1657 CA SER A 218 5. 529 58. 507 -12. 953 1. oo 21. 76 A

ATOM 1658 CB SER A 218 4. 048 58. 099 -12. 898 1. oo 23. 74 A

ATOM 1659 OG SER A 218 3. 216 59. 156 -12. 480 1. oo 27. 88 A ATOM 1660 C SER A 218 6.323 57.243 -13.278 1.00 20.41 A

ATOM 1661 0 SER A 218 6 .599 56 .955 -14 .437 1 .00 21 .81 A

ATOM 1662 N LYS A 219 6 .710 56 .510 -12 .242 1 .00 18 .97 A

ATOM 1663 CA LYS A 219 7 .381 55 .236 -12 .426 1 .00 19 .14 A

ATOM 1664 CB LYS A 219 8 .762 55 .207 -11 .736 1 .00 18 .89 A

ATOM 1665 CG LYS A 219 9 .869 55 .984 -12 .460 1 .00 17 .36 A

ATOM 1666 CD LYS A 219 11 .219 55 .813 -11 .720 1 .00 19 .13 A

ATOM 1667 CE LYS A 219 12 .368 56 .575 -12 .385 1 .00 20 .52 A

ATOM 1668 NZ LYS A 219 12 .750 55 .995 -13 .713 1 .00 19 .70 A

ATOM 1669 C LYS A 219 6 .444 54 .266 -11 .727 1 .00 19 .90 A

ATOM 1670 0 LYS A 219 5 .862 54 .601 -10 .697 1 .00 20 .44 A

ATOM 1671 N ILE A 220 6 .266 53 .083 -12 .296 1 .00 20 .70 A

ATOM 1672 CA ILE A 220 5 .420 52 .077 -11 .665 1 .00 21 .01 A

ATOM 1673 CB ILE A 220 4 .050 51 .947 -12 .386 1 .00 25 .25 A

ATOM 1674 CG2 ILE A 220 4 .252 51 .558 -13 .834 1 .00 28 .77 A

ATOM 1675 CGI ILE A 220 3 .182 50 .917 -11 .662 1 .00 27 .51 A

ATOM 1676 CD1 ILE A 220 1 .718 50 .986 -12 .043 1 .00 29 .91 A

ATOM 1677 C ILE A -220 6 .184 50 .762 -11 .739 1 .00 21 .34 A

ATOM 1678 0 ILE A 220 6 .690 50 .392 -12 .801 1 .00 21 .33 A

ATOM 1679 N ALA A 221 6 .308 50 .081 -10 .604 1 .00 19 .57 A

ATOM 1680 CA ALA A 221 7 .032 48 .813 -10 .561 1 .00 19 .11 A

ATOM 1681 CB ALA A 221 7 .894 48 .747 -9 .307 1 .00 18 .91 A

ATOM 1682 C ALA A 221 6 .048 47 .656 -10 .581 1, .00 19 .52 A

ATOM 1683 0 ALA A 221 5 .081 47, .642 -9 .818 1, .00 21 .06 A

ATOM 1684 N VAL A 222 6 .305 • 46 .676 -11 .439 1 .00 21 .52 A

ATOM 1685 CA VAL A 222 5 .403 45 .534 -11 .549 1 .00 23 .55 A

ATOM 1686 CB VAL A 222 4 .615 45, .604 -12^' .872 1, .00 23 .61 A

ATOM 1687 CGI VAL A 222 3 .772 46, .885 -12 .902 1, .00 27 .83 A

ATOM 1688 CG2 VAL A 222 5 .574 45. .596 -14 .055 1, .00 23 .82 A

ATOM 1689 C VAL A 222 6, .089 44. .173 -11 .461 1. .00 24, .67 A

ATOM 1690 0 VAL A 222 7, .300 44. .053 -11, .662 1. .00 23, .12 A

ATOM 1691 N ARG A 223 5, .298 43. .15 -11, .151 1. .00 24, .60 A

ATOM 1692 CA ARG A 223 5, .815 41. .790 -11. .053 1. ,oo 25. .63 A

ATOM 1693 CB ARG A 223 6, .270 41. ,489 -9. .626 1. ,oo 25. .47 A

ATOM 1694 CG ARG A 223 5. ,159 41. ,491 -8. ,596 1. oo 28. .41 A

ATOM 1695 CD ARG A 223 5. ,686 41. 035 -7. ,243 1. oo 32. .53 A

ATOM 1696 NE ARG A 223 6. ,230 39. 679 -7. ,300 1. oo 36. ,58 A

ATOM 1697 CZ ARG A 223 5. ,491 38. 574- -7. ,334 1. oo 38. ,78 A

ATOM 1698 NHl ARG A 223 4. ,167 38. 656 -7. ,313 1. oo 39. ,13 A

ATOM 1699 NH2 ARG A 223 6. 077 37. 384 -7. 391 1. oo 39. ,05 A

ATOM 1700 C ARG A 223 4. 734 40. 797 -11. 468 1. oo 26. 74 A

ATOM 1701 0 ARG A 223 3. 539 41. 055 -11. 296 1. oo 25. 24 A

ATOM 1702 N SER A 224 5. 162 39. 659 -12. 007 1. oo 27. 26 A

ATOM 1703 CA SER A 224 4. 227 38. 643 -12. 457 1. oo 28. 64 A

ATOM 1704 CB SER A 224 4. 705 38. 062 -13. 788 1. oo 30. 25 A

ATOM 1705 OG SER A 224 3. 912 36. 953 -14. 166 1.oo 30. 86 A

ATOM 1706 C SER A 224 4. 002 37. 508 -11. 462 1. oo 30. 24 A

ATOM 1707 0 SER A 224 4. 924 37. 089 -10. 762 1. oo 28. 53 A

ATOM 1708 N ASN A 225 2. 762 37. 023 -11. 402 1. oo 30. 59 A

ATOM 1709 CA ASN A 225 2. 396 35. 900 -10. 531 1. oo 31. 60 A

ATOM 1710 CB ASN A 225 1. 058 36. 146 -9. 826 1. oo 30. 62 A

ATOM 1711 CG ASN A 225 1. 176 37. 069 -8. 640 1. oo 31. 54 A

ATOM 1712 ODl ASN A 225 2. 066 36. 912 -7. 802 1. oo 31. 45 A

ATOM 1713 ND2 ASN A 225 o. 260 38. 027 -8. 543 1. oo 32. 35 A

ATOM 1714 C ASN A 225 2. 237 34. 655 -11. 400 1. oo 33. 40 A

ATOM 1715 0 ASN A 225 1. 966 33. 566 -10. 893 1. oo 35. 98 A

ATOM 1716 N VAL A 226 2. 393 34. 823 -12. 708 1. oo 33. 91 A

ATOM 1717 CA VAL A 226 2. 225 33. 718 -13. 651 1. oo 35. 38 A

ATOM 1718 CB VAL A 226 1. 103 34. 038 -14. 672 1. oo 34. 61 A

ATOM 1719 CGI VAL A 226 o. 933 32. 886 -15. 647 1. oo 35. 33 A

ATOM 1720 CG2 VAL A 226 -o. 205 34. 320 -13. 935 1. 00 33. 68 A ATOM 1721 C VAL A 226 3.502 33.409 -14.416 1.00 35.88 A

ATOM 1722 O VAL A 226 4 .078 34 .284 -15 .057 1 .00 35 .91 A

ATOM 1723 N GLY A 227 3 .935 32 .155 -14 .361 1 .00 37 .47 A

ATOM 1724 CA GLY A 227 5 .141 31 .769 -15 .070 1 .00 38 .71 A

ATOM 1725 C GLY A 227 5 .014 31 .976 -16 .567 1 .00 38 .59 A

ATOM 1726 O GLY A 227 4 .011 31 .592 -17 .169 1 .00 39 .92 A

ATOM 1727 N GLY A 228 6 .025 32 .594 -17 .173 1 .00 39 .12 A

ATOM 1728 CA GLY A 228 5 .997 32 .822 -18 .608 1 .00 37 .85 A

ATOM 1729 C GLY A 228 5 .269 34 .085 -19 .033 1 .00 37 .86 A

ATOM 1730 O GLY A 228 5 .221 34 .412 -20 .223 1 .00 38 .07 A

ATOM 1731 N LEU A 229 4 .695 34 .794 -18 .064 1 .00 35 .79 A

ATOM 1732 CA LEU A 229 3 .972 36 .031 -18 .347 1 .00 35 .21 A

ATOM 1733 CB LEU A 229 2 .692 36 .108 -17 .509 1 .00 34 .50 A

ATOM 1734 CG LEU A 229 1 .895 37 .413 -17 .625 1 .00 36 .40 A

ATOM 1735 GDI LEU A 229 1 .406 37 .584 -19 .052 1 .00 35 .88 A

ATOM 1736 CD2 LEU A 229 o .719 37 .391 -16 .651 1 .00 34 .70 A

ATOM 1737 C LEU A 229 4 .859 37 .228 -18 .033 1, .00 33 .45 A

ATOM 1738 O LEU A 229 5 .230 37 .447 -16 .885 1 .00 33 .89 A

ATOM 1739 N ^' ASN A 230 5 .194 37 .998 -19 .061 1, .00 34 .18 A

ATOM 1740 CA ASN A 230 6 .042 39 .171 -18 .898 1, .00 33 .03 A

ATOM 1741 CB ASN A 230 6. .683 39 .534 -20 .234 1, .00 37 .25 A

ATOM 1742 CG ASN A 230 7 .808 40 .522 -20 .081 1, .00 40 .93 A

ATOM 1743 ODl ASN A 230 7 .603 41 .653 -19 .644 1, .00 43 .49 A

ATOM 1744 ND2 ASN A 230 9 .020 40 .095 -20 .434 1, .00 43 .13 A

ATOM 1745 C ASN A 230 5, .191 40, .331 -18. .393 1. .00 31, .18 A

ATOM 1746 O ASN A 230 4, .326 40 .838 -19 .110 1. .00 31 .60 A

ATOM 1747 N ALA A 231 5 .445 40 .746 -17 .158 1, .00 29 .09 A

ATOM 1748 CA ALA A 231 4, .682 41, .820 -16, .535 1. .00 28 .59 A

ATOM 1749 CB ALA A 231 5, .082 41. .953 -15. .065 1. ,00 28, .02 A

ATOM 1750 C ALA A 231 4, .811 43 .165 -17 .239 1. .00 27 .46 A

ATOM 1751 O ALA A 231 3. .810 43. .838 -17, .482 1. ,00 27, .14 A

ATOM 1752 N LYS A 232 6, .035 43, .556 -17, .576 1. .00 28, .39 A

ATOM 1753 CA LYS A 232 6. .243 44. .836 -18, .235 1. .00 27, .93 A

ATOM 1754 CB LYS A 232 7. .743 45. .123 -18, ,394 1. ,00 30. .25 A

ATOM 1755 CG LYS A 232 8. ,042 46. .518 -18, .908 1. ,00 35, .49 A

ATOM 1756 CD LYS A 232 9. ,464 46. ,981 -18. .582 1. 00 39. .17 A

ATOM 1757 CE LYS A 232 10. .519 46. .202 -19. .336 1. .00 42. .10 A

ATOM 1758 NZ LYS A 232 ■10, ,631 44. .798 -18, ,862 1. ,oo 46. .23 A

ATOM 1759 C LYS A 232 5. ,545 44. ,886 -19. ,587 1. oo 28. ,08 A

ATOM 1760 O LYS A 232 4. ,913 45. ,884 -19. .927 1. 00 26. ,53 A

ATOM 1761 N GLY A 233 5. .645 43. ,801 -20. .349 1. 00 26. ,85 A

ATOM 1762 CA GLY A 233 4. 996 43. ,755 -21. .646 1. 00 26. 58 A

ATOM 1763 C GLY A 233 3. 488 43. ,854 -21. .528 1. 00 26. ,70 A

ATOM 1764 O GLY A 233 2. 829 44. ,472 -22. .367 1. 00 26. ,92 A

ATOM 1765 N ALA A 234 2. 930 43. 244 -20. ,488 1. 00 26. 26 A

ATOM 1766 CA ALA A 234 1. 491 43. ,290 -20, ,287 1. oo 27. ,19 A

ATOM 1767 CB ALA A 234 1. 099 42. 393 -19. ,117 1. oo 27. ,22 A

ATOM 1768 C ALA A 234 1. 028 44. 724 -20. ,026 1. oo 26. 42 A

ATOM 1769 O ALA A 234 -o. 026 45. 145 -20. ,508 1. oo 26. 54 A

ATOM 1770 N CYS A 235 1. 819 45. 477 -19. ,268 1. oo 26. 15 A

ATOM 1771 CA CYS A 235 1. 462 46. 853 -18. ,949 1. oo 26. 23 A

ATOM 1772 CB CYS A 235 2. 252 47. 320 -17. .727 1. oo 27. 45 A

ATOM 1773 SG CYS A 235 1. 872 46. 337 -16. 252 1. oo 30. 80 A

ATOM 1774 C CYS A 235 1. 672 47. 796 -20. 130 1. 00 27. 13 A

ATOM 1775 O CYS A 235 0. 953 48. 787 -20. 281 1. oo 26. 71 A

ATOM 1776 N ILE A 236 2. 649 47. 485 -20. 975 1. oo 27. 19 A

ATOM 1777 CA ILE A 236 2. 908 48. 317 -22. 143 1. oo 28. 55 A

ATOM 1778 CB ILE A 236 4. 283 47. 997 -22. 765 1. oo 30. 01 A

ATOM 1779 CG2 ILE A 236 4. 443 48. 729 -24. 081 1. oo 29. 77 A

ATOM 1780 CGI ILE A 236 5. 393 48. 400 -21. 796 1. oo 29. 09 A

ATOM 1781 CD1 ILE A 236 6. 773 47. 911 -22. 202 1. oo 31. 32 A ATOM 1782 C ILE A 236 1.808^' 48.064 -23.168 1.00 28.86 A

ATOM 1783 O ILE A 236 1 .224 49 .000 ^'-23 .706 1 .00 28 .11 A

ATOM 1784 N GLY A 237 1 .522 46 .791 -23 .425 1 .00 29 .95 A

ATOM 1785 CA GLY A 237 o .481 46 .446 -24 .374 1 .00 33 .03 A

ATOM 1786 C GLY A 237 o .967 46 .416 -25 .808 1 .00 35 .10 A

ATOM 1787 O GLY A 237 2 .078 46 .867 -26 .096 1 .00 34 .11 A

ATOM .1788 N PRO A 238 o .156 45 .880 -26 .734 1 .00 37 .62 A

ATOM 1789 CD PRO A 238 -1 .139 45 .224 -26 .485 1 .00 38 .39 A

ATOM 1790 CA PRO A 238 o .516 45 .797 -28 .154 1 .00 38 .97 A

ATOM 1791 CB PRO A 238 -o .694 45 .105 -28 .779 1 .00 39 .14 A

ATOM 1792 CG PRO A 238 -1 .230 44 .267 -27 .647 1 .00 39 .30 A

ATOM 1793 C PRO A 238 o .738 47 .186 -28 .745 1 .00 39 .51 A

ATOM 1794 O PRO A 238 -o .154 48 .034 -28 .695 1 .00 39 .68 A

ATOM 1795 N MET A 239 1 .923 47 .410 -29 .305 1 .00 39 .82 A

ATOM 1796 CA MET A 239 2 .260 48 .700 -29 .901 1 .00 40 .60 A

ATOM 1797 CB MET A 239 1 .208 49 .108 -30 .941 1 .00 44 .59 A

ATOM 1798 CG MET A 239 o .968 48 .108 -32 .065 1 .00 50 .85 A

ATOM 1799 SD MET A 239 2 .409 47 .820 -33 .106 1 .00 57 .70 A

ATOM 1800 CE MET A 239 2 .861 46 .160 -32 .585 1 .00 56 .88 A

ATOM 1801 C MET A 239 2 .309 49 .768 -28 .811 1 .00 37 .84 A

ATOM 1802 O MET A 239 2 .453 50 .953 -29 .101 1 .00 37 .27 A

ATOM 1803 N GLY A 240 2 .177 49 .337 -27 .561 1 .00 35 .73 A

ATOM 1804 CA GLY A 240 2 .194 50 .266 -26 .444 1 .00 32 .99 A

ATOM 1805 C GLY A 240 o .858 50 .963 -26 .241 1 .00 31 .49 A

ATOM 1806 O GLY A 240 o .782 51 .979 -25, .553 1, .00 27, .48 A

ATOM 1807 N GLN A 241 -o .206 50 .414 -26, .818 1, .00 29, .97 A

ATOM 1808 CA GLN A 241 -1, .516 51. .039 -26, .689 1, .00 31, .50 A

ATOM 1809 CB GLN A 241 -2, .566 50. .289 -27, .526 1. .00 36, .06 A

ATOM 1810 CG GLN A 241 -2 .871 48 .880 -27, .050 1, .00 43. .90 A

ATOM 1811 CD GLN A 241 -4, .045 48. .254 -27, .793 1, .00 48. .61 A

ATOM 1812 OE1 GLN A 241 -4, .412 47, .103 -27, .542 1, .00 51, .73 A

ATOM 1813 NE2 GLN A 241 -4, .641 49, .011 -28, .708 1. .00 49, .15 A

ATOM 1814 C GLN A 241 -2. ,014 51. .166 -25, .249 1. .00 28. .48 A

ATOM 1815 O GLN A 241 -2. ,737 52. .106 -24. .934 1. .00 27. ,67 A

ATOM 1816 N ARG A 242 -1. .632 50. .237 -24. .375 1. ,oo 26. .59 A

ATOM 1817 CA ARG A 242 -2. .093 50. ,302 -22. .985 1. ,oo 25. ,05 A

ATOM 1818 CB ARG A 242 -1. .880 48. ,957 -22. .276 1. oo 27. ,66 A

ATOM 1819 CG ARG A 242 -2. .763 47. ,840 -22. ,828 1. oo 26. 60 A

ATOM 1820 CD ARG A 242 -2. 438 46. 490 -22. 212 1. oo 26. 96 A

ATOM 1821 NE ARG A 242 -3. 208 45. 412 -22. 836 1. oo 27. 89 A

ATOM 1822 CZ ARG A 242 -3. 173 44. 141 -22. 447 1. oo 28. 94 A

ATOM 1823 NHl ARG A 242 -2. 399 43. 771 -21. 432 1. oo 25. 40 A

ATOM 1824 NH2 ARG A 242 -3. 932 43. 238 -23. 059 1. oo 28. 02 A

ATOM 1825 C ARG A 242 -1. 439 51. 432 -22. 200 1. oo 25. 02 A

ATOM 1826 O ARG A 242 -2. 129 52. 211 -21. 535 1. oo 24. 01 A

ATOM 1827 N VAL A 243 -o. 118 51. 542 -22. 274 1. oo 25. 22 A

ATOM 1828 CA VAL A 243 o. 543 52. 618 -21. 557 1. oo 24. 34 A

ATOM 1829 CB VAL A 243 2. 089 52. 458 -21. 542 1. oo 23. 97 A

ATOM 1830 CGI VAL A 243 2. 656 52. 462 -22. 959 1. oo 23. 97 A

ATOM 1831 CG2 VAL A 243 2. 704 53. 578 -20. 703 1. oo 25. 05 A

ATOM 1832 C VAL A 243 o. 144 53. 960 -22. 174 1. oo 23. 59 A

ATOM 1833 O VAL A 243 -o. 036 54. 939 -21. 460 1. oo 24. 48 A

ATOM 1834 N ARG A 244 -o. 024 54. ooi -23. 492 1. oo 25. 42 A

ATOM 1835 CA ARG A 244 -o. 425 55. 246 -24. 144 1. oo 26. 76 A

ATOM 1836 CB ARG A 244 -o. 324 55. 115 -25. 668 1. oo 27. 64' A

ATOM 1837 CG ARG A 244 1. 120 55. 248 -26. 175 1. oo 29. 62 A

ATOM 1838 CD ARG A 244 1. 242 55. 342 -27. 698 1. oo 30. 59 A

ATOM 1839 NE ARG A 244 1. 043 54. 057 -28. 367 1. oo 32. 61 A

ATOM 1840 CZ ARG A 244 -o. 087 53. 686 -28. 962 1. oo 33. 76 A

ATOM 1841 NHl ARG A 244 -1. 132 54. 500 -28. 982 1. oo 33. 82 A

ATOM 1842 NH2 ARG A 244 -o. 173 52. 495 -29. 536 1. oo 35. 68 A ATOM 1843 C ARG A 244 -1.825 55.704 -23.720 1.00 26.64 A

ATOM 1844 O ARG A 244 -2 .094 56 .903 -23 .665 1 .00 26 .65 A

ATOM 1845 N ASN A 245 -2 .710 54 .761 -23 .407 1 .00 26 .07 A

ATOM 1846 CA ASN A 245 -4 .054 55 .108 -22 .957 1 .00 26 .05 A

ATOM 1847 CB ASN A 245 -4 .952 53 .867 -22 .914 1 .00 28 .80 A

ATOM 1848 CG ASN A 245 -5 .490 53 .492 -24 .278 1 .00 33 .21 A

ATOM • 1849 ODl ASN A 245 -5 .4.43 54 .291 -25 .217 1 .00 34 .82 A

ATOM 1850 ND2 ASN A 245 -6 .019 52 .276 -24 .394 1 .00 33 .16 A

ATOM 1851 C ASN A 245 -4 .022 55 .755 -21 .580 1 .00 25 .43 A

ATOM 1852 O ASN A 245 -4 .776 ^' 56 .686 -21 .308 1 .00 26 .49 A

ATOM 1853 N VAL A 246 -3 .150 55 .250 -20 .709 1 .00 22 .34 A

ATOM 1854 CA VAL A 246 -3 .011 55 .799 -19 .374 1 .00 21 .81 A

ATOM 1855 CB VAL A 246 -2 .073 54 .917 -18 .499 1 .00 22 .42 A

ATOM 1856 CGI VAL A 246 -1 .920 55 .525 -17 .126 1 .00 21 .62 A

ATOM 1857 CG2 VAL A 246 -2 .638 53 .502 -18 .397 1 .00 21 .12 A

ATOM 1858 C VAL A 246 -2 .401 57 .194 -19 .509 1 .00 22 .33 A

ATOM 1859 O VAL A 246 -2 .866 58 .154 -18 .892 1 .00 23 .94 A

ATOM 1860 N MET A 247 -1 .352 57 .299 -20 .320 1 .00 22 .73 A

ATOM 1861 CA MET A 247 -o .704 58 .587 -20 .533 1. .00 24 .66 A

ATOM 1862 CB MET A 247 o .397 58 .463 -21 .579 1 .00 25 .56 A

ATOM 1863 CG MET A 247 1 .642 57 .749 -21 .108 1, .00 26 .29 A

ATOM 1864 SD MET A 247 2 .686 57 .360 -22 .519 1 .00 28 .77 A

ATOM 1865 CE MET A.247 3 .106 59 .025 -23 .112 1, .00 31 .71 A

ATOM 1866 C MET A 247 -1 .706 59, .639 -21 .003 1, .00 25 .90 A

ATOM 1867 O MET A 247 -1 .723 60, .756 -20 .486 1, .00 24 .14 A

ATOM 1868 N SER A 248 -2 .532 59 .279 -21 .985 1, .00 25 .79 A

ATOM 1869 CA SER A 248 -3 .517 60, .212 -22 .532 1. .00 28 .25 A

ATOM 1870 CB SER A 248 -4 .234 59, .591 -23, .743 1. .00 28. .85 A

ATOM 1871 OG SER A 248 -5, .050 58. .496 -23, .374 1. .00 37, .16 A

ATOM 1872 C SER A 248 -4 .531 60. ,699 -21, .497 1. .00 27, .68 A

ATOM 1873 O SER A 248 -4, .913 61. .872 -21, .509 1. .00 28, .96 A

ATOM 1874 N GLU A 249 -4, .959 59. ,816 -20. .597 1. ,oo 24. .99 A

ATOM 1875 CA GLU A 249 -5, .902 60. ,209 -19. .555 1. ,oo 27. .44 A

ATOM 1876 CB GLU A 249 -6, .403 58. ,982 -18, .784 1. .00 26. .45 A

ATOM 1877 CG GLU A 249 -7. .303 59. ,300 -17. ,579 1. ,00 30. .11 A

ATOM 1878 CD GLU A 249 -8. .555 60. ,100 -17. .950 1. oo 34. .31 A

ATOM 1879 OE1 GLU A 249 -9. .209 59. 733 -18. .952 1. oo 33. .40 A

ATOM 1880 OE2 GLU A 249 -8. .891 61. ,082 -17. .233 1. .00 28. .50 A

ATOM 1881 C GLU A 249 -5. ,228 61. 175 -18. .584 1. oo 27. .50 A

ATOM 1882 O GLU A 249 -5. ,891 62. 016 -17. ,980 1. oo 29. ,19 A

ATOM 1883 N LEU^' A 250 -3. ,908 61. 062 -18. ,447 1. oo 26. 32 A.

ATOM 1884 CA LEU A 250 -3. ,161 61. 930 -17. ,541 1. oo 24. ,82 A

ATOM 1885 CB LEU A 250 -2. ,114 61. 104 -16. ,776 1. oo 24. 36 A

ATOM 1886 CG LEU A 250 -2. ,692 59. 961 -15. ,933 1. oo 24. 96 A

ATOM 1887 CD1 LEU A 250 -1. ,559 59. 215 -15. ,242 1. oo 25. ,54 A

ATOM 1888 CD2 LEU A 250 -3. ,672 60. 515 -14. ,902 1. oo 28. 94 A

ATOM 1889 C LEU A 250 -2. 486 63. 120 -18. 229 1. oo 26. 99 A

ATOM 1890 O LEU A 250 -1. 429 63. 588 -17. 790 1. oo 26. 42 A

ATOM 1891 N SER A 251 -3. ,095 63. 604 -19. 308 1. oo 26. 48 A

ATOM 1892 CA SER A 251 -2. 578 64. 761 -20. 039 1. oo 28. 63 A

ATOM 1893 CB SER A 251 -2. 700 66. 016 -19. 173 1. oo 30. 66 A

ATOM 1894 OG SER A 251 -4. 048 66. 261 -18. 822 1. oo 37. 68 A

ATOM 1895 C SER A 251 -1. 151 64. 668 -20. 567 1.oo 29. 08 A

ATOM 1896 O SER A 251 -o. 429 65. 669 -20. 590 1. oo 28. 84 A

ATOM 1897 N GLY A 252 -o. 739 63. 481 -20. 998 1. oo 26. 99 A

ATOM 1898 CA GLY A- 252 o. 595 63. 332 -21. 550 1. 00 26. 31 A

ATOM 1899 C GLY A 252 1. 695 62. 979 -20 ^'. 566 1. 00 25. 89 A

ATOM 1900 O GLY A 252 2. 855 62. 872 -20. 948 1. 00 27. 01 A

ATOM 1901 N GLU A 253 1. 337 62. 803 -19. 303 1. oo 24. 35 A

ATOM 1902 CA GLU A 253 2. 320 62. 444 -18. 286 1. oo 24. 80 A

ATOM 1903 CB GLU A 253 1. 598 62. 159 -16. 964 1. oo 25. 07 A ATOM 1904 CG GLU A 253 2.515 61.889 -15.779 1.00 26.35 A

ATOM 1905 CD GLU A 253 1 .755 61 .885 -14 .467 1 .00 27 .78 A

ATOM 1906 OE1 GLU A 253 o .976 62 .841 -14 .233 1 .00 28 .12 A

ATOM 1907 OE2 GLU A 253 1 .952 60 .941 -13 .660 1 .00 29 .92 A

ATOM 1908 C GLU A 253 3 .105 61 .212 -18 .736 1 .00 24 .64 A

ATOM 1909 O GLU A 253 2 .522 60 .229 -19 .197 1 .00 24 .62 A

ATOM 1910 N LYS A 254 4 .430 61 .264 -18 .602 1 .00 25 .16 A

ATOM 1911 CA LYS A 254 5 .288 60 .150 -18 .991 1 .00 26 .54 A

ATOM 1912 CB LYS A 254 6 .731 60 .643 -19 .171 1 .00 27 .44 A

ATOM 1913 CG LYS A 254 6 .897 61 .606 -20 .343 1 .00 31 .14 A

ATOM 1914 CD LYS A 254 8 .304 62 .195 -20 .402 1 .00 33 .42 A

ATOM 1915 CE LYS A 254 8 .543 63 .191 -19 .275 1 .00 34 .83 A

ATOM 1916 NZ LYS A 254 7 .637 64 .376 -19 .370 1 .00 33 .52 A

ATOM 1917 C LYS A 254 5 .241 59 .041 -17 .943 1 .00 25 .79 A

ATOM 1918 O LYS A 254 5 .107 59 .313 -16 .752 1 .00 25 .98 A

ATOM 1919 N ILE A 255 5 .346 57 .792 -18 .381 1 .00 24 .75 A

ATOM 1920 CA ILE A 255 5 .304 56 .672 -17 .443 1 .00 26 .19 A

ATOM 1921 CB ILE A 255 3 .931 55 .963 -17 .481 1 .00 28 .13 A

ATOM 1922 CG2 ILE A 255 3 .906 54 .822 -16 .460 1 .00 27 .20 A

ATOM 1923 CGI ILE A 255 2 .819 56 .976 -17 .206 1 .00 29 .93 A

ATOM 1924 GDI ILE A 255 1 .426 56 .425 -17 .391 1 .00 34 .62 A

ATOM 1925 C ILE A 255 6 .371 55 .628 -17 .730 1 .00 25 .22 A

ATOM 1926 O ILE A 255 6 .397 55 .053 -18 .815 1 .00 27 .94 A

ATOM 1927 N ASP A 256 7 .250 55 .395 -16 .756 1 .00 25 .45 A

ATOM 1928 CA ASP A 256 8, .297 54 .386 -16 .881 1. .00 25, .31 A

ATOM 1929 CB ASP A 256 9, .584 54. .789 -16, .140 1, .00 27, .83 A

ATOM 1930 CG ASP A 256 10, .184 56, .103 -16, .625 1, .00 31. .16 A

ATOM 1931 ODl ASP A 256 9. .832 56, .572 -17. .722 1. .00 32. .49 A

ATOM 1932 OD2 ASP A 256 11, .035 56 .660 -15 .888 1, .00 29. .94 A

ATOM 1933 C ASP A 256 7, .768 53, .116 -16. .206 1. .00 24, .47 A

ATOM 1934 O ASP A 256 7, .416 53, .147 -15, .029 1. .00 22, .99 A

ATOM 1935 N ILE A 257 7, .713 52. .007 -16, .941 1. .00 23. .92 A

ATOM 1936 CA ILE A 257 7. .252 50. .742 -16. .368 1. .00 23. .86 A

ATOM 1937 CB ILE A 257 6. .438 49. .927 -17. .395 1. ,00 25, .77 A

ATOM 1938 CG2 ILE A 257 6. .029 48. .588 -16. .793 1. .00 26. .93 A

ATOM 1939 CGI ILE A 257 5. .201 50. .741 -17. .810 1. .00 27. .68 A

ATOM 1940 CD1 ILE A 257 4. .341 50. ,090 -18. .877 1. .00 31. ,99 A

ATOM 1941 C ILE A 257 8. .513 49. ,982 -15. .956 1. oo 24. ,14 A

ATOM 1942 O ILE A 257 9. 335 49. 602 -16. 792 1. oo 22. 96 A

ATOM 1943 N ILE A 258 8. 637 49. 774 -14. 652 1. oo 21. 72 A

ATOM 1944 CA ILE A 258 9. 803 49. 153 -14. 028 1. oo 22. 28 A

ATOM 1945 CB ILE A 258 10. 203 49. 980 -12. 769 1. oo 21. 29 A

ATOM 1946 CG2 ILE A 258 11. 419 49. 376 -12. 085 1. oo 24. 22 A

ATOM 1947 CGI ILE A 258 10. 428 51. 445 -13. 156 1. oo 25. 12 A

ATOM 1948 CD1 ILE A 258 11. 471 51. 650 -14. 216 1. oo 23. 49 A

ATOM 1949 C ILE A 258 9. 572 47. 719 -13. 566 1. oo 24. 29 A

ATOM 1950 O ILE A 258 8. 522 47. 404 -13. 017 1. oo 22. 20 A

ATOM 1951 N ASP A 259 10. 568 46. 858 -13. 764 1. oo 24. 77 A

ATOM 1952 CA ASP A 259 10. 464 45. 481 -13. 294 1. oo 24. 75 A

ATOM 1953 CB ASP A 259 11. 412 44. 549 -14. 058 1. oo 29. 26 A

ATOM 1954 CG ASP A 259 10. 947 44. 268 -15. 466 1. oo 34. 85 A

ATOM 1955 ODl ASP A 259 9. 774 43. 871 -15. 627 1. oo 38. 33 A

ATOM 1956 OD2 ASP A 259 11. 756 44. 433 -16. 405 1. oo 38. 31 A

ATOM 1957 C ASP A 259 10. 853 45. 430 -11. 820 1. oo 23. 80 A

ATOM 1958 O ASP A 259 11. 935 45. 878 -11. 442 1. 00 23. 61 A

ATOM 1959 N TYR A 260 9. 969 44. 900 -10. 983 1. 00 21. 86 A

ATOM 1960 CA TYR -A 260 10. 286 44. 763 -9. 574 1. 00 23. 46 A

ATOM 1961 CB TYR A 260 9. 021 44. 475 -8. 760 1. oo 23. 94 A

ATOM 1962 CG TYR A 260 9. 315 44. 099 -7. 325 1. oo 25. 47 A

ATOM 1963 CD1 TYR A 260 9. 739 45. 059 -6. 406 1. oo 24. 50 A

ATOM 1964 CEl TYR A 260 10. 055 44. 712 -5. 092 1. oo 28. 26 A ATOM 1965 CD2 TYR A 260 9.209 42.777 -6.896 1.00 26.12 A

ATOM 1966 CE2 TYR A 260 9 .521 42 .415 -5 .587 1 .00 28 .60 A

ATOM 1967 CZ TYR A 260 9 .943 43 .387 -4 .693 1 .00 29 .97 A

ATOM 1968 OH TYR A 260 10 .262 43 .038 -3 .407 1 .00 32 .28 A

ATOM 1969 C TYR A 260 11 .229 43 .558 -9 .469 1 .00 24 .17 A

ATOM 1970 O TYR A 260 11 .197 42 .673 -10 .317 1 .00 24 .83 A

ATOM 1971 N ASP A 261 12 .068 43 .533 -8 .440 1 .00 25 .58 A

ATOM 1972 CA ASP A 261 12 .975 42 .404 -8 .230 1 .00 26 .20 A

ATOM 1973 CB ASP A 261 14 .342 42 .670 -8 .884 1 .00 26 .56 A

ATOM 1974 CG ASP A 261 15 .179 41 .402 -9 .029 1 .00 29 .46 A

ATOM 1975 ODl ASP A 261 15 :629 40 .856 -8 .002 1 .00 29 .79 A

ATOM 1976 OD2 ASP A 261 15 .383 40 .944 -10 .172 1 .00 30 .71 A

ATOM 1977 C ASP A 261 13 .125 42 .225 -6 .724 1 .00 26 .70 A

ATOM 1978 O ASP A 261 13 .236 43 .209 -5 .986 1 .00 26 .14 A

ATOM 1979 N ASP A 262 13 .095 40 .974 -6 .266 1 .00 28 .97 A

ATOM 1980 CA ASP A 262 13 .223 40 .667 -4 .837 1 .00 31 .78 A

ATOM 1981 CB ASP A 262 13 .088 39 .162 -4 .586 1 .00 36 .13 A

ATOM 1982 CG ASP A 262 11 .758 38 .610 -5 .049 1 .00 41 .33 A

ATOM 1983 ODl ASP A 262 10 .717 39 .208 -4 .705 1 .00 43 .87 A

ATOM 1984 OD2 ASP A 262 11 .752 37 .572 -5 .746 1 .00 44 .79 A

ATOM 1985 C ASP A 262 14 .551 41 .135 -4 .260 1 .00 31 .73 A

ATOM 1986 O ASP A 262 14 .663 41 .376 -3 .055 1 .00 33 .45 A

ATOM 1987 N ASP A 263 15 .561 41 .234 -5 .115 1 .00 30 .19 A

ATOM 1988 CA ASP A 263 16 .878 41 .694 -4 .691 1 .00 29 .29 A

ATOM 1989 CB ASP A 263 17 .960 41 .145 -5 .612 1 .00 29 .71 A

ATOM 1990 CG ASP A 263 19 .339 41 .589 -5 .197 1 .00 34, .81 A

ATOM 1991 ODl ASP A 263 19, .787 41, .169 -4 .112 1 .00 •39, .14 A^'

ATOM 1992 OD2 ASP A 263 19, .970 42, .365 -5, .940 1. .00 37. .49 A

ATOM 1993 C ASP A 263 16 .887 43 .220 -4 .768 1 .00 27, .00 A

ATOM 1994 O ASP A 263 16, .783 43, .792 -5 .851 1 .00 26, .58 A

ATOM 1995 N PRO A 264 17, .031 43, .894 -3, .621 1, .00 27. .22 A

ATOM 1996 CD PRO A 264 17, .353 43, .359 -2, .286 1, .00 29. .60 A

ATOM 1997 CA PRO A 264 17. .038 45, .359 -3. .618 1. .00 26. .74 A

ATOM 1998 CB PRO A 264 17. .298 45. .703 -2. ,153 1. .00 28. ,32 A

ATOM 1999 CG PRO A 264 18. .085 44. .517 -1. .653 1, .00 30. ,61 A

ATOM 2000 C PRO A 264 18. ,024 46. ,025 -4. ,574 1. ,00 24. ,53 A

ATOM 2001 O PRO A 264 17. ,671 46. ,997 -5. ,232 1. ,00 22. ,31 A

ATOM 2002 N ALA A 265 19. ,249 45. ,512 -4. ,661 1. 00 22. ,39 A

ATOM 2003 CA ALA A 265 20. 228 46. 106 -5. 570 1. 00 23. 64 A

ATOM 2004 CB ALA A 265 21. 567 45. 382 -5. 473 1. 00 24. 50 A

ATOM 2005 C ALA A 265 19. 730 46. 078 -7. 012 1. oo 23. 47 A

ATOM 2006 O ALA A 265 19. 913 47. 044 -7. 753 1.oo 23. 31 A

ATOM 2007 N ARG A 266 19. 122 44. 967 -7. 421 1. 00 24. 52 A

ATOM 2008 CA ARG A 266 18. 607 44. 858 -8. 782 1. oo 23. 80 A

ATOM 2009 CB ARG A 266 18. 229 43. 404 -9. 112 1. 00 27. 35 A

ATOM 2010 CG ARG A 266 19. 421 42. 438 -9. 124 1. 00 35. 51 A

ATOM 2011 CD ARG A 266 19. 182 41. 237 -10. 043 1.oo 39. 90 A

ATOM 2012 NE ARG A 266 18. 121 40. 348 -9. 575 1. oo . .46. 70 A

ATOM 2013 CZ ARG A 266 18. 268 39. 437 -8. 615 1. 00 50. 07 A

ATOM 2014 NHl ARG A 266 19. 441 39. 287 -8. 012 1. oo 51. 13 A

ATOM 2015 NH2 ARG A 266 17. 243 38. 667 -8. 262 1. 00 49. 70 A

ATOM 2016 C ARG A 266 17. 388 45. 771 -8. 977 1. 00 21. 89 A

ATOM 2017 O ARG A 266 17. 215 46. 357 -10. 041 1.oo 22. 62 A

ATOM 2018 N PHE A 267 16. 552 45. 890 -7. 948 1. oo 21. 14 A

ATOM 2019 CA PHE A 267 15. 362 46. 746 -8. 030 1. 00 20. 42 A

ATOM 2020 CB PHE A 267 14. 512 46. 607 -6. 759 1. 00 21. 46 A

ATOM 2021 CG PHE A 267 13. 189 47. 342 -6. 813 1. 00 21. 29 A

ATOM 2022 CD1 PHE A 267 12. 518 47. 668 -5. 633 1. oo 23. 76 A

ATOM 2023 CD2 PHE A 267 12. 614 47. 703 -8. 029 1. oo 22. 24 A

ATOM 2024 CEl PHE A 267 11. 285 48. 342 -5. 663 1. 00 22. 58 A

ATOM 2025 CE2 PHE A 267 11. 386 48. 376 -8. 070 1. 00 22. 61 A ATOM 2026 CZ PHE A 267 10.725 48.695 -6.879 1.00 24.07 A

ATOM 2027 C PHE A 267 15 .802 48 .196 -8 .203 1 .00 19 .55 A

ATOM 2028 O PHE A 267 15 .240 48 .927 -9 .014 1 .00 18 .96 A

ATOM 2029 N VAL A 268 16 .813 48 .613 -7 .446 1 .00 19 .33 A

ATOM 2030 CA VAL A 268 17 .306 49 .982 -7 .556 1 .00 19 .05 A

ATOM 2031 CB VAL A 268 18 .422 50 .274 -6 .518 1 .00 21 .28 A

ATOM 2032 CGI VAL A 268 19 .130 51 .574 -6 .853 1 .00 22 .36 A

ATOM 2033 CG2 VAL A 268 17 .814 50 .376 -5 .127 1 .00 22 .33 A

ATOM 2034 C VAL A 268 17 .826 50 .209 -8 .980 1 .00 20 .54 A

ATOM 2035 O VAL A 268 17 .533 51 .231 -9 .595 1 .00 18 .08 A

ATOM 2036 N ALA A 269 18 .563 49 .238 -9 .519 1 .00 19 .42 A

ATOM 2037 CA ALA A 269 19 .084 49 .372 -10 .874 1 .00 20 .96 A

ATOM 2038 CB ALA A 269 19 .941 48 .168 -11 .235 1 .00 23 .17 A

ATOM 2039 C ALA A 269 17 .917 49 .492 -11 .855 1 .00 21 .50 A

ATOM 2040 O ALA A 269 17 .918 50 .358 -12 .727 1 .00 21 .52 A

ATOM 2041 N ASN A 270 16 .926 48 .614 -11 .706 1 .00 20 .62 A

ATOM 2042 CA ASN A 270 15 .756 48 .629 -12 .587 1 .00 20 .18 A

ATOM 2043 CB ASN A 270 14 .798 47 .481 -12 .236 1 .00 21 .76 A

ATOM 2044 CG ASN A 270 15 .374 46 .107 -12 .555 1 .00 24 .90 A

ATOM 2045 ODl ASN A 270 16 .411 45 .988 -13 .210 1 .00 23 .77 A

ATOM 2046 ND2 ASN A 270 14 .692 45 .063 -12 .101 1 .00 22 .48 A

ATOM 2047 C ASN A 270 14 .988 49 .950 -12 .501 1 .00 20 .37 A

ATOM 2048 O ASN A 270 14 .518 50 .478 -13 .514 1 .00 19 .91 A

ATOM 2049 N ALA A 271 14, .851 50 .472 -11 .289 1, .00 19 .52 A

ATOM 2050 CA ALA A 271 14, .119 51, .720 -11, .073 1, .00 20, .19 A

ATOM 2051 CB ALA A 271 14 .012 51 .998 -9 .588 1 .00 19 .15 A

ATOM 2052 C ALA A 271 14 .730 52 .923 -11 .781 1 .00 20 .71 A

ATOM 2053 O ALA A 271 14, .029 53 .891 -12 .084 1, .00 18, .70 A

ATOM 2054 N LEU A 272 16. .033 52, .870 -12 .040 1, .00 18, .07 A

ATOM 2055 CA LEU A 272 16. .690 53, .980 -12, .707 1, .00 20, .14 A

ATOM 2056 CB LEU A 272 18. .183 53. .994 -12, .354 1, .00 21, .11 A

ATOM 2057 CG LEU A 272 18. .442 54. .505 -10, .931 1. .00 20, .66 A

ATOM 2058 CD1 LEU A 272 19. .882 54. .202 -10, .498 1. .00 23. .25 A

ATOM 2059 CD2 LEU A 272 18. .173 56. .013 -10. .876 1. .00 20. .01 A

ATOM 2060 C LEU A 272 16. .478 53. .943 -14. .218 1. .00 21. .58 A

ATOM 2061 O LEU A 272 16. .859 54. .869 -14. .920 1. ,oo 21. .73 A

ATOM 2062 N SER A 273 15. .855 52. .876 -14. .709 1. .00 23. ,27 A

ATOM 2063 CA SER A 273 15. ,572 52. ,755 -16. .136 1. ,00 26. ,98 A

ATOM 2064 CB SER A 273 14. ,738 51. ,502 -16. .399 1. ,00 28. ,67 A

ATOM 2065 OG SER A 273 14. ,166 51. ,552 -17. ,695 1. ,00 35. 83 A

ATOM 2066 C SER A 273 14. 795 53. 995 -16. 576 1. 00 28. ,32 A

ATOM 2067 O SER A 273 13. 993 54. 529 -15. 811 1. 00 27. 83 A

ATOM 2068 N PRO A 274 14. 969 54. 433 -17. 834 1. 00 29. 49 A

ATOM 2069 CD PRO A 274 14. 204 55. 608 -18. 296 1. 00 31. 48 A

ATOM 2070 CA PRO A 274 15. 809 53. 912 -18. 919 1. 00 28. 79 A

ATOM 2071 CB PRO A 274 15. 206 54. 576 -20. 151 1. oo 29. 62 A

ATOM 2072 CG PRO A 274 14. 858 55. 925 -19. 635 1. oo 30. 15 A

ATOM 2073 C PRO A 274 17. 319 54. 146 -18. 833 1. oo 29. 45 A

ATOM 2074 O PRO A 274 18. 052 53. 785 -19. 755 1. oo 28. 76 A

ATOM 2075 N ALA A 275 17. 786 54. 750 -17. 748 1. oo 26. 90 A

ATOM 2076 CA ALA A 275 19. 215 54. 999 -17. 596 1. oo 28. 89 A

ATOM 2077 CB ALA A 275 19. 469 55. 909 -16. 402 1. oo 29. 22 A

ATOM 2078 C ALA A 275 19. 962 53. 684 -17. 415 1. oo 29. oo A

ATOM 2079 O ALA A 275 19. 442 52. 741 -16. 820 1. oo 27. 10 A

ATOM 2080 N LYS A 276 21. 186 53. 630 -17. 931 1. oo 28. 09 A

ATOM 2081 CA LYS A 276 22. 002 52. 429 -17. 829 1.oo 29. 04 A

ATOM 2082 CB LYS A 276 22. 985 52. 353 -18. 997 1. oo 33. 43 A

ATOM 2083 CG LYS A 276 23. 165 50. 955 -19. 573 1. oo 40. 25 A

ATOM 2084 CD LYS A 276 22. 144 50. 665 -20. 679 1. oo 42. 95 A

ATOM 2085 CE LYS A 276 20. 710 50. 598 -20. 158 1. oo 45. 33 A

ATOM 2086 NZ LYS A 276 20. 451 49. 378 -19. 335 1. oo 46. 60 A ATOM 2087 C LYS A 276 22.782 52.442 -16.519 1.00 27.69 A

ATOM 2088 O LYS A 276 23 .316 53 .477 -16 .115 1 .00 27 .19 A

ATOM 2089 N VAL A 277 22 .845 51 .288 -15- .866 1 .00 26 .25 A

ATOM 2090 CA VAL A 277 23 .562 51 .161 -14 .597 1 .00 25 .17 A

ATOM 2091 CB VAL A 277 22 .600 50 .702 -13 .475 1 .00 26 .44 A

ATOM 2092 CGI VAL A .277 23 .372 50 .439 -12 .195 1 .00 26 .28 A

ATOM 2093 CG2 VAL A 277 21 .532 51 .757 -13 .242 1 .00 24 .94 A

ATOM 2094 C VAL A 277 24 .697 50 .144 -14 .707 1 .00 25 .14 A

ATOM 2095 O VAL A 277 24 .510 49 .062 -15 .263 1 .00 24 .79 A

ATOM 2096 N VAL A 278 25 .870 50 .495 -14 .179 1 .00 23 .51 A

ATOM 2097 CA VAL A 278 27 .026 49 .601 -14 .194 1 .00 23 .48 A

ATOM 2098 CB VAL A 278 28 .355 50 .398 -14 .120 1 .00 25 .08 A

ATOM 2099 CGI VAL A 278 29 .535 49 .447 -13 .930 1 .00 24 .34 A

ATOM 2100 CG2 VAL A 278 28 .540 51 .218 -15 .390 1 .00 25 .12 A

ATOM 2101 C VAL A 278 26 .949 48 .638 -13 .005 1 .00 23 .53 A

ATOM 2102 O VAL A 278 27 .043 47 .419 -13 .167 1 .00 25 .13 A

ATOM 2103 N SER A 279 26 .756 49 .182 --11 .810 1 .00 22 .20 A

ATOM 2104 CA SER A 279 26 .668 48 .341 -10 .623 1 .00 23 .39 A

ATOM 2105 CB SER A 279 28 .071 47 .930 -10 .166 1 .00 26 .47 A

ATOM 2106 OG SER A 279 28 .826 49 .075 -9 .802 1 .00 30 .97 A

ATOM 2107 C SER A 279 25 .961 49 .052 -9 .480 1 .00 22 .44 A

ATOM 2108 O SER A 279 25 .880 50 .281 -9 .454 1 .00 23 .40 A

ATOM 2109 N VAL A 280 25 .437 48 .266 -8 .547 1 .00 20 .91 A

ATOM 2110 CA VAL A 280 24 .756 48 .804 -7 .372 1 .00 22 .49 A

ATOM 2111 CB VAL A 280 23 .233 48 .579 -7 .446 1, .00 21 .00 A

ATOM 2112 CGI VAL A 280 22. .575 49, .089 -6 .160 1. .00 20 .45 A

ATOM 2113 CG2 VAL A 280 22. .669 49, ,296 -8 .662 1, .00 21, .93 A

ATOM 2114 C VAL A 280 25. .271 48. ,123 -6, .110 1. .00 22, .62 A

ATOM 2115 O VAL A 280 25, .378 46. ,901 -6, .059 1. .00 24, .63 A

ATOM 2116 N SER A 281 25, .590 48. .921 -5, .099 1. .00 22, .36 A

ATOM 2117 CA SER A 281 26, .088 48. .396 -3, .830 1. .00 26, .15 A

ATOM 2118 CB SER A 281 27. .421 49. .052 -3, .473 1. .00 27, .38 A

ATOM 2119 OG SER A 281 28, .377 48. .858 -4. .493 1. ,oo 31, .97 A

ATOM 2120 C SER A 281 25. .102 48. ,708 -2 , ,712 1. .00 25. .23 A

ATOM 2121 O SER A 281 24, ,567 49. ,815 -2. .646 1. ,00 26. .60 A

ATOM 2122 N VAL A 282 24. ,851 47. ,738 -1. ,842 1. ,00 24. .16 A

ATOM 2123 CA VAL A 282 23. ,971 47. ,985 -o. ,707 1. ,00 23. .46 A

ATOM 2124 CB VAL A 282 23. ,281 46. ,692 -o. .212 1. ,00 23. .55 A

ATOM 2125 CGI VAL A 282 22. ,618 46. ,942 1. .144 1. 00 20. .51 A

ATOM 2126 CG2 VAL A 282 22. ,237 46. 232 -1. .234 1. oo 24. ,92 A

ATOM 2127 C VAL A 282 24. ,895 48. ,519 o. ,380 1. 00 23. ,58 A

ATOM 2128 0 VAL A 282 25. 754 47. 789 o. .885 1. 00 23. ,75 A

ATOM 2129 N ILE A 283 24. 752 49. 797 o. ,717 1. 00 22. ,09 A

ATOM 2130 CA ILE A 283 25. 592 50. 401 1. ,744 .1. 00 24. ,74 A

ATOM 2131 CB ILE A 283 25. 619 51. 935 1. ,605 1. 00 26. ,80 A

ATOM 2132 CG2 ILE A 283 26. 445 52. 549 2. ,729 1. 00 28. ,43 A

ATOM 2133 CGI ILE A 283 26. 220 52. 314 o. 247 1. 00 29. 49 A

ATOM 2134 CD1 ILE A 283 27. 630 51. 749 o. 018 1. 00 31. 96 A

ATOM 2135 ^' C ILE A 283 25. 079 50. 005 3. 122 1. 00 26. 51 A

ATOM 2136 0 ILE A 283 25. 862 49. 726 4. 035 1. 00 26. 84 A

ATOM 2137 N ASP A 284 23. 762 49. 989 3. 284 1. oo 24. 29 A

ATOM 2138 CA ASP A 284 23. 175 49. 553 4. 547 1. 00 25. 56 A

ATOM 2139 CB ASP A 284 23. 165 50. 668 5. 595 1. 00 28. 34 A

ATOM 2140 CG ASP A 284 22. 741 50. 160 6. 965 1. 00 32. 47 A

ATOM 2141 ODl ASP A 284 21. 631 50. 503 7. 432 1. 00 32. 83 A

ATOM 2142 OD2 ASP A 284 23. 522 49. 394 7. 576 1. 00 36. 24 A

ATOM 2143 C ASP A 284 21. 763 49. 083 4. 286 1. 00 26. 19 A

ATOM 2144 0 ASP A 284 20. 925 49. 851 3. 817 1. 00 24. 64 A

ATOM 2145 N GLN A 285 21. 501 47. 814 4. 580 1. 00 28. 10 A

ATOM 2146 CA GLN A 285 20. 179 47. 252 4. 349 1. 00 30. 33 A

ATOM 2147 CB GLN A 285 20. 187 45. 731 4. 555 1. 00 35. 80 A ATOM 2148 CG GLN A 285 20.371 45.282 6.001 1.00 44.76 A

ATOM 2149 CD GLN A 285 19 .912 43 .848 6 .237 1 .00 48 .80 A

ATOM 2150 OE1 GLN A 285 18 .719 43 .543 6 .153 1 .00 52 .20 A

ATOM 2151 NE2 GLN A 285 20 .859 42 .961 6 .530 1 .00 51 .20 A

ATOM 2152 C GLN A 285 19 .118 47 .872 5 .248 1 .00 28 .67 A

ATOM 2153 O GLN A 285 18 .009 48 .164 4 .802 1 .00 26 .36 A

ATOM 2154 N THR A 286 19 .464 48 .078 6 .514 1 .00 27 .67 A

ATOM 2155 CA THR A 286 18 .517 48 .630 7 .472 1 .00 27 .09 A

ATOM 2156 CB THR A 286 19 .115 48 .617 8 .895 1 .00 28 .54 A

ATOM 2157 OGl THR A 286 19 .352 47 .257 9 .289 1 .00 30 .19 A

ATOM 2158 CG2 THR A 286 18 .163 49 .263 9 .887 1 .00 29 .63 A

ATOM 2159 C THR A 286 18 .056 50 .038 7 .114 1 .00 26 .07 A

ATOM 2160 O THR A 286 16 .864 50 .341 7 .194 1 .00 26 .24 A

ATOM 2161 N ALA A 287 18 .991 50 .890 6 .703 1 .00 22 .01 A

ATOM 2162 CA ALA A 287 18 .652 52 .262 6 .339 1 .00 21 .90 A

ATOM 2163 CB ALA A 287 19 .843 53 .171 6 .572 1 .00 21 .36 A

ATOM 2164 C ALA A 287 18 .211 52 .365 4 .882 1 .00 21 .11 A

ATOM 2165 O ALA A 287 17 .790 53 .427 4 .426 1 .00 22 .33 A

ATOM 2166 N ARG A 288 18 .310 51 .256 4 .162 1 .00 20 .50 A

ATOM 2167 CA ARG A 288 17 .951 51 .214 2 .755 1 .00 20 .06 A

ATOM 2168 CB ARG A 288 16 .446 51 .453 2 .580 1 .00 22 .19 A

ATOM 2169 CG ARG A 288 15 .570 50 .323 3 .125 1 .00 28 .48 A

ATOM 2170 CD ARG A 288 14 .426 50 .872 3 .980 1 .00 38 .39 A

ATOM 2171 NE ARG A 288 14 .900 51 .340 5 .282 1 .00 41 .97 A

ATOM 2172 CZ ARG A 288 14 .474 52, .444 5, .886 1, .00 44. .41 A

ATOM 2173 NHl ARG A 288 13, .556 53, .210 5, .309 1, .00 44. .74 A

ATOM 2174 NH2 ARG A 288 14, .971 52, .787 7, .068 1, .00 46, .39 A

ATOM 2175 C ARG A 288 18, .750 52, .269 1, .991 1, .00 19, .35 A

ATOM 2176 O ARG A 288 18, .184 53, .149 1, .339 1, .00 18, .97 A

ATOM 2177 N ALA A 289 20, .070 52, .183 2, .087 1, .00 18, .20 A

ATOM 2178 CA ALA A 289 20, .951 53, .110 1, .386 1, .00 19, .39 A

ATOM 2179 CB ALA A 289 21, .913 53, .760 2, .367 1, .00 22, .27 A

ATOM 2180 C ALA A 289 21. .730 52. .350 o. .304 1. .00 21. .50 A

ATOM 2181 O ALA A 289 22. .322 51. .303^' o. ,572 1. .00 21. .15 A

ATOM 2182 N ALA A 290 21. .730 52. .880 -o. .917 1. .00 20. .72 A

ATOM 2183 CA ALA A 290 22. .436 52. .232 -2. .014 1, ,oo 21. .58 A

ATOM 2184 CB ALA A 290 21. .436 51. .648 -3. .017 1. ,oo 21. .27 A

ATOM 2185 C ALA A 290 23. .357 53. ,198 -2. .737 1. ,oo 22. .55 A

ATOM 2186 O ALA A 290 23. .116 54. .406 -2. ,763 1. ,oo 23. .70 A

ATOM 2187 N ARG A 291 24. ,422 52. ,654 -3. ,314 1. oo 23. .04 A

ATOM 2188 CA ARG A 291 25. ,358^' 53. ,448 -4. ,102 1. 00 22. .13 A

ATOM 2189 CB ARG A 291 26. ,793 53. ,311 -3. .594 1. 00 23. ,09 A

ATOM 2190 CG ARG A 291 27. ,775 54. ,144 -4. ,418 1. 00 25. ,26 A

ATOM 2191 CD ARG A 291 29. ,216 53. ,866 -4. .005 1. 00 29. 48 A

ATOM 2192 NE ARG A 291 29. ,460 54. ,248 -2. ,621 1. 00 36. 31 A

ATOM 2193 CZ ARG A 291 30. ,585 53. ,987 -1. ,963 1. 00 40. ,01 A

ATOM 2194 NHl ARG A 291 31- 573 53. 337 -2. 564 1. 00 38. 53 A

ATOM 2195 NH2 ARG A 291 30. 723 54. 385 -o. 706 1. 00 41. 69 A

ATOM 2196 C ARG A 291 25. 264 52. 861 -5. 495 1. 00 20. 61 A

ATOM 2197 O ARG A 291 25^'. 356 51. 645 -5. 666 1. 00 21. 26 A

ATOM 2198 N VAL A 292 25. 095 53. 724 -6. 490 1. 00 18. 92 A

ATOM 2199 CA VAL A 292 24. 951 53. 276 -7. 868 1. 00 17. 45 A

ATOM 2200 CB VAL A 292 23. 576 53. 711 -8. 451 1. 00 19. 88 A

ATOM 2201 CGI VAL A 292 23. 449 53. 249 -9. 892 1. 00 23. 62 A

ATOM 2202 CG2 VAL A 292 22. 443 53. 128 -7. 605 1. 00 22. 54 A

ATOM 2203 C VAL A 292 26. 033 53. 885 -8. 748 1. 00 -16. 93 A

ATOM 2204 O VAL A 292 26. 277 55. 086 -8. 696 1. 00 19. 55 A

ATOM 2205 N VAL A 293 26. 682 53. 045 -9. 537 1. oo 17. 49 A

ATOM 2206 CA VAL A 293 27. 706 53. 515 -10. 468 1. oo 16. 42 A

ATOM 2207 CB VAL A 293 28. 972 52. 645 -10. 403 1. oo 17. 36 A

ATOM 2208 CGI VAL A 293 29. 953 53. 058 -11. 524 1. oo 20. 77 A ATOM 2209 CG2 VAL A 293 29.625 52.805 -9.054 1.00 21.00 A

ATOM 2210 C VAL A 293 27 .104 53 .418 -11 .862 1 .00 17 .72 A

ATOM 2211 O VAL A 293 26 .520 52 .394 -12 .226 1 .00 18 .70 A

ATOM 2212 N VAL A 294 27 .244 54 .484 -12 .641 1 .00 19 .77 A

ATOM 2213 CA VAL A 294 ^'26 .709 54 .512 -13 .999 1 .00 18 .88 A

ATOM 2214 CB VAL A 294 25 .501 55 .480 -14 .086 1 .00 18 .68 A

ATOM 2215 CGI VAL A 294 24 .438 55 .087 -13 .044 1 .00 21 .06 A

ATOM 2216 CG2 VAL A 294 25 .953 56 .903 -13 .839 1 .00 18 .94 A

ATOM 2217 C VAL A 294 27 .808 54 .989 -14 .958 1 .00 20 .13 A

ATOM 2218 O VAL A 294 28 .803 55 .565 -14 .519 1 .00 22 .32 A

ATOM 2219 N PRO A 295 27 .647 54 .746 -16 .273 1 .00 22 .96 A

ATOM 2220 CD PRO A 295 26 .549 54 .060 -16 .978 1 .00 23 .68 A

ATOM 2221 CA PRO A 295 28 .682 55 .194 -17 .222 1 .00 23 .88 A

ATOM 2222 CB PRO A 295 28 .108 54 .798 -18 .582 1 .00 25 .50 A

ATOM 2223 CG PRO A 295 27 .224 53 .627 -18 .265 1 .00 25 .67 A

ATOM 2224 C PRO A 295 28 .851 56 .705 -17 .081 1 .00 25 .78 A

ATOM 2225 O PRO A 295 27 .874 57 .454 -17 .140 1 .00 24 .00 A

ATOM 2226 N ASP A 296 30 .089 57 .155 -16 .911 1 .00 25 .25 A

ATOM 2227 CA ASP A 296 30 .350 58 .572 -16 .715 1 .00 29 .15 A

ATOM 2228 CB ASP A 296 31 .856 58 .839 -16 .674 1, .00 32 .69 A

ATOM 2229 CG ASP A 296 32 .180 60 .229 -16 .150 1, .00 36 .99 A

ATOM 2230 ODl ASP A 296 31 .873 60 .503^' -14 .972 1, .00 41 .97 A

ATOM 2231 OD2 ASP A 296 32. .735 61 .047 -16, .913 1, .00 41 .44 A

ATOM 2232 C ASP A 296 29. .700 59 .531 -17, .715 1, .00 29, .13 A

ATOM 2233 O ASP A 296 29, .135 60 .548 -17, .313 1. .00 29, .07 A

ATOM 2234 N PHE A 297 29, .774 59 .229 -19, .007 1. .00 29, .57 A

ATOM 2235 CA PHE A 297 29, .192 60 .143 -19, .988 1. .00 29, .96 A

ATOM 2236 CB PHE A 297 29. .656 59, .791 -21, .411 1. .00 31. .56 A

ATOM 2237 CG PHE A 297 28. ,991 58, .580 -21. .996 1. .00 31. .60 A

ATOM 2238 CD1 PHE A 297 29. .222 57, .314 -21. .476 1. ,oo 33. .95 A

ATOM 2239 CD2 PHE A 297 28. .144 58, .708 -23. .095 1. .00 33. .95 A

ATOM 2240 CEl PHE A 297 28. .620 56. .184 -22. .042 1. ,oo 34. .91 A

ATOM 2241 CE2 PHE A 297 27. .539 57. .591 -23. .668 1. ,oo 34. .56 A

ATOM 2242 CZ PHE A 297 27. .778 56. .324 -23. ,141^' 1. ,00 35. .45 A

ATOM 2243 C PHE A 297 27. ,666 60. ,221 -19. ,939 1. oo 30. .48 A

ATOM 2244 O PHE A 297 27. ,061 61. ,084 -20. ,581 1. .00 30. .56 A

ATOM 2245 N GLN A 298 27. ,038 59. ,338 -19. ,170 1. oo 30. .18 A

ATOM 2246 CA GLN A 298 25. ,579 59. ,352 -19. ,067 1. oo 31. .21 A

ATOM 2247 CB GLN A 298 25. ,013 58. ,020 -19. ,546 1. oo 32. .37 A

ATOM 2248 CG GLN A 298 25. 198 57. ,805 -21. ,041 1. oo 35. ,63 A

ATOM 2249 CD GLN A 298 24. ,687 56. ,457 -21. ,503 1. oo 38. ,36 A

ATOM 2250 OE1 GLN A 298 24. 342 56. ,282 -22. ,671 1. 00 41. ,10 A

ATOM 2251 NE2 GLN A 298 24. 646 55. ,495 -20. 592 1. 00 37. ,02 A

ATOM 2252 C GLN A 298 25. 081 59. 654 -17. 661 1. oo 29. ,43 A

ATOM 2253 O GLN A 298 23. 915 59. 411 -17. 332 1. oo 30. 12 A

ATOM 2254 N LEU A 299 25. 964 60. 198 -16. 834 1. oo 28. 48 A

ATOM 2255 CA LEU A 299 25. 612 60. 528 -15. 458 1. oo 27. 74 A

ATOM 2256 CB LEU A 299 26. 800 61. 208 -14. 775 1. oo 28. 86 A

ATOM 2257 CG LEU A 299 - 26. 721 61. 503 -13. 277 1. oo 31. 04 A

ATOM 2258 CD1 LEU A 299 26. 377 60. 235 -12. 496 1. oo 30. 17 A

ATOM 2259 CD2 LEU A 299 28. 065 62. 057 -12. 823 1. oo 32. 43 A

ATOM 2260 C LEU A 299 ^' 24. 372 61. 423 -15. 386 1. oo 27. 77 A

ATOM 2261 O LEU A 299 23. 512 61. 242 -14. 514 1. oo 25. 67 A

ATOM 2262 N SER A 300 24. 272 62. 384 -16. 300 1. oo 26. 26 A

ATOM 2263 CA SER A 300 23. 125 63. 291 -16. 305 1. oo 28. 86 A

ATOM 2264 CB SER A 300 23. 359 64. 455 -17. 268 1. oo 31. 03 A

ATOM 2265 OG SER A 300 24. 359 65. 319 -16. 760 1. oo 36. 05 A

ATOM 2266 C SER A 300 21. 822 62. 593 -16. 660 1. oo 28. 33 A

ATOM 2267 O SER A 300 20. 747 63. 015 -16. 227 1. oo 28. 70 A

ATOM 2268 N LEU A 301 21. 915 61. 527 -17. 448 1. oo 27. 37 A

ATOM 2269 CA LEU A 301 20. 730 60. 786 -17. 841 1. oo 28. 20 A ATOM 2270 CB LEU A 301 21.024 59.896 -19.054 1.00 29.66 A

ATOM 2271 CG LEU A 301 21 .399 60 .637 -20 .342 1 .00 31 .08 A

ATOM 2272 GDI LEU A 301 21 .687 59 .634 -21 .447 1 .00 32 .85 A

ATOM 2273 CD2 LEU A 301 20 .270 61 .569 -20 .749 1 .00 33 .10 A

ATOM 2274 C LEU A 301 20 .250 59 .940 -16 .674 1 .00 26 .87 A

ATOM 2275 O LEU A 301 19 .054 59 .729 -16 .520 1 .00 26 .46 A

ATOM 2276 N ALA A 302 21 .183 59 .458 -15 .854 1 .00 23 .97 A

ATOM 2277 CA ALA A 302 20 .825 58 .650 -14 .691 1 .00 22 .81 A

ATOM 2278 CB ALA A 302 22 .074 57 .994 -14 .090 1 .00 23 .20 A

ATOM 2279 C ALA A 302 20 .154 59 .534 -13 .647 1 .00 22 .61 A

ATOM 2280 O ALA A 302 19 .165 59 .146 -13 .014 1 .00 24 .18 A

ATOM 2281 N ILE A 303 20 .706 60 .724 -13 .455 1 .00 20 .81 A

ATOM 2282 CA ILE A 303 20 .152 61 .657 -12 .488 1 .00 24 .38 A

ATOM 2283 CB ILE A 303 21 .147 62 .799 -12 .206 1 .00 26 .03 A

ATOM 2284 CG2 ILE A 303 20 .480 63 .891 -11 .373 1 .00 26 .09 A

ATOM 2285 CGI ILE A 303 22 .368 62 .225 -11 .477 1 .00 28 .46 A

ATOM 2286 CD1 ILE A 303 23 .473 63 .225 -11 .201 1 .00 32 .14 A

ATOM 2287 C ILE A 303 18 .852 62 .216 -13 .055 1 .00 25 .47 A

ATOM 2288 O ILE A 303 17 .870 62 .396 -12 .329 1 .00 25 .00 A

ATOM 2289 N GLY A 304 18 .856 62 .467 -14 .362 1 .00 26 .55 A

ATOM 2290 CA GLY A 304 17 .680 62 .984 -15 .035 1 .00 27 .63 A

ATOM 2291 C GLY A 304 17 .535 64 .492 -14 .981 1, .00 30 .02 A

ATOM 2292 O GLY A 304 18 .244 65, .178 -14 .242 1, .00 28 .99 A

ATOM 2293 N LYS A 305 16, .601 65, .007 -15, .772 1. .00 32 .82 A

ATOM 2294 CA LYS A 305 16, .346 66, .440 -15, .823 1, .00 35 .37 A

ATOM 2295 CB LYS A 305 15, .242 66, .726 -16. .845 1. .00 38 .79 A

ATOM 2296 CG LYS A 305 15, .108 68, .182 -17. .244 1. .00 42 .90 A

ATOM 2297 CD LYS A 305 14, .011 68, .348 -18. .285 1, .00 46, .59 A

ATOM 2298 CE LYS A 305 13, .958 69. .768 -18. .821 1. .00 49, .72 A

ATOM 2299 NZ LYS A 305 12. .888 69. .912 -19. .849 1. .00 52. .88 A

ATOM 2300 C LYS A 305 15. ,933 66. .934 -14. .442 1. .00 35. .25 A

ATOM 2301 O LYS A 305 14. ,953 66. .457 -13. ,868 1. .00 33. .13 A

ATOM 2302 N GLU A 306 16. .692 67. .887 -13. .908 1. .00 35. .55 A

ATOM 2303 CA GLU A 306 16, .423 68. .446 -12. .587 1. ,00 36. .96 A

ATOM 2304 CB GLU A 306 15. ,079 69. .183 -12. .573 1. ,oo 41. .42 A

ATOM 2305 CG GLU A 306 14. ,961 70. .293 -13. .607 1. ,oo 47. .45 A

ATOM 2306 CD GLU A 306 13. ,681 71. ,098 -13. .450 1. ,oo 50. .60 A

ATOM 2307 OE1 GLU A 306 12. ,591 70. ,487 -13. ,377 1. ,oo 53. .90 A

ATOM 2308 OE2 GLU A 306 13. ,761 72. 344 -13. ,412 1. .00 53. .08 A

ATOM 2309 C GLU A 306 16. ,420 67. 365 -11. ,508 1. ,όo 34. .60 A

ATOM 2310 O GLU A 306 15. 757 67. 513 -10. ,483 1. ,oo 33. .25 A

ATOM 2311 N GLY A 307 17. 155 66. 281 -11. ,753 1. oo 29. .97 A

ATOM 2312 CA GLY A 307 17. 242 65. 194 -10. ,789 1. oo 27. ,33 A

ATOM 2313 C GLY A 307 15. 995 64. 335 -10. ,693 1. oo 25. ,37 A

ATOM 2314 O GLY A 307 15. 850 63. 527 -9. 779 1. oo 21. ,99 A

ATOM 2315 N GLN A 308 15. 094 64. 494 -11. 654 1. oo 24. 46 A

ATOM 2316 CA GLN A 308 13. 843 63. 748 -11. 657 1. oo 24. 38 A

ATOM 2317 CB GLN A 308 13. 007 64. 164 -12. 865 1. oo 25. 33 A

ATOM 2318 CG GLN A 308 11. 621 63. 561 -12. 872 1. oo 27. 63 A

ATOM 2319 CD GLN A 308 10. 906 63. 822 -14. 176 1. oo 30. 00 A

ATOM 2320 OE1 GLN A 308 11. 236 63. 232 -15. 208 1. oo 31. 29 A

ATOM 2321 NE2 GLN A 308 9. 932 64. 727 -14. 145 1. oo 30. 15 A

ATOM 2322 C GLN A 308 13. 953 62. 227 -11. 649 1. oo 22. 92 A

ATOM 2323 O GLN A 308 13. 200 61. 554 -10. 940 1. oo 22. 36 A

ATOM 2324 N ASN A 309 14. 874 61. 678 -12. 438 1. oo 20. 17 A

ATOM 2325 CA ASN A 309 15. 011 60. 232 -12. 521 1. oo 20. 67 A

ATOM 2326 CB ASN A 309 15. 985 59. 839 -13. 640 1. oo 21. 58 A

ATOM 2327 CG ASN A 309 15. 864 58. 370 -14. 024 1. 00 24. 20 A

ATOM 2328 ODl ASN A 309 14. 781 57. 907 -14. 389 1. 00 23. 98 A

ATOM 2329 ND2 ASN A 309 16. 966 57. 632 -13. 941 1. 00 21. 72 A

ATOM 2330 C ASN A 309 15. 457 59. 630 -11. 193 1. 00 21. 49 A ATOM 2331 O ASN A 309 14.901 58.625 -10.738 1.00 19.29 A

ATOM 2332 N ALA A 310 16 .449 60 .257 -10 .569 1 .00 21 .47 A

ATOM 2333 CA ALA A 310 16 .967 59 .787 -9 .286 1 .00 22 .78 A

ATOM 2334 CB ALA A 310 18 .221 60 .583 -8 .900 1 .00 25 .17 A

ATOM 2335 C ALA A 310 15 .907 59 .934 -8 .197 1 .00 22 .67 A

ATOM 2336 O ALA A 310 15 .746 59 .050 -7 .356 1 .00 21 .34 A

ATOM 2337 N ARG A 311 15 .191 61 .057 -8 .207 1 .00 21 .20 A

ATOM 2338 CA ARG A 311 14 .145 61 .298 -7 .213 1 .00 21 .56 A

ATOM 2339 CB ARG A 311 13 .496 62 .677 -7 .408 1 .00 24 .66 A

ATOM 2340 CG ARG A 311 14 .128 63 .827 -6 .660 1 .00 29 .97 A

ATOM 2341 CD ARG A 311 13 .093 64 .950 -6 .443 1 .00 33 .02 A

ATOM 2342 NE ARG A 311 12 .457 65 .389 -7 .687 1 .^•oo 30 .46 A

ATOM 2343 CZ ARG A 311 13 .084 66 .061 -8 .646 1 .00 30 .88 A

ATOM 2344 NHl ARG A 311 14 .361 66 .380 -8 .502 1 .00 32 .86 A

ATOM 2345 NH2 ARG A 311 12 .444 66 .395 -9 .760 1 .00 32 .15 A

ATOM 2346 C ARG A 311 13 .042 60 .251 -7 .295 1 .00 20 .02 A

ATOM 2347 O ARG A 311 12 .616 59 .706 -6 .277 1 .00 19 .29 A

ATOM 2348 N LEU A 312 12 .564 59 .999 -8 .511 1 .00 19 .80 A

ATOM 2349 CA LEU A 312 11 .500 59 .027 -8 .728 1 .00 18 .78 A

ATOM 2350 CB LEU A 312 11 .031 59 .073 -10 .181 1 .00 20 .80 A

ATOM 2351 CG LEU A 312 10 .155 60 .269 -10 .566 1 .00 22 .75 A

ATOM 2352 CD1 LEU A 312 9 .876 60 .214 -12 .056 1 .00 23 .59 A

ATOM 2353 CD2 LEU A 312 8 .838 60 .222 -9 .789 1 .00 25 .50 A

ATOM 2354 C LEU A 312 11 .951 57 .621 -8 .367 1, .00 20 .31 A

ATOM 2355 O LEU A 312 11, .182 56, .859 -7, .786 1, .00 18 .30 A

ATOM 2356 N ALA A 313 13, .195 57, .279 -8, .703 1. ,00 19 .01 A

ATOM 2357 CA ALA A 313 13, .725 55. .952 -8, .383 1. .00 19, .15 A

ATOM 2358 CB ALA A 313 15, .128 55. ,776 -8, .997 1. ,00 19, .31 A

ATOM 2359 C ALA A 313 13. .785 55. .748 -6, .871 1. .00 18, .10 A

ATOM 2360 O ALA A 313 13. .446 54. .682 -6, .361 1. .00 19, .57 A

ATOM 2361 N ALA A 314 14. .226 56. .775 -6, ,154 1. .00 19, .42 A

ATOM 2362 CA ALA A 314 14. .329 56. .694 -4. .699 1. ,00 20, .26 A

ATOM 2363 CB ALA A 314 15. .028 57. .942 -4. .153 1. .00 19, .98 A

ATOM 2364 C ALA A 314 12. .942 56. ,557 -4. ,077 1. ,00 21. .66 A

ATOM 2365 O ALA A 314 12. .738 55. ,778 -3. ,152 1. ,00 21. .48 A

ATOM 2366 N ARG A 315 11. .987 57. ,319 -4. .597 1. ,00 20. .85 A

ATOM 2367 CA ARG A 315 10. ,617 57. ,273 -4. .092 1. ,00 20. .87 A

ATOM 2368 CB ARG A 315 9. ,797 58. ,375 -4, .776 1. ,00 25. ,07 A

ATOM 2369 CG ARG A 315 8. ,348 58. 491 -4. .321 1. ,00 34. .00 A

ATOM 2370 CD ARG A 315 8. ,141 59. 753 -3. ,482 1. ,00 42. .04 A

ATOM 2371 NE ARG A 315 8. ,740 60. 937 -4. ,104 1. ,00 46. .01 A

ATOM 2372 CZ ARG A 315 8. ,363 61. 454 -5. ,272 1. ,00 48. .56 A

ATOM 2373 NHl ARG A 315 7. ,376 60. 901 -5. ,965 1. oo 49. .38 A

ATOM 2374 NH2 ARG A 315 8. 982 62. 525 -5. ,754 1. 00 49. .24 A

ATOM 2375 C ARG A 315 9. ,970 55. 907 -4. ,354 1. 00 18. .87 A

ATOM 2376 O ARG A 315 9. 264 55. 359 -3. ,505 1. 00 21. ,60 A

ATOM 2377 N LEU A 316 10. 215 55. 364 -5. 539 1. 00 18. 25 A

ATOM 2378 CA LEU A 316 9. 644 54. 083 -5. 938 1. oo 18. 15 A

ATOM 2379 CB LEU A 316 9. 993 53. 791 -7. 398 1. 00 19. 04 A

ATOM 2380 CG LEU A 316 9. 351 52. 564 -8. 061 1. 00 19. 65 A

ATOM 2381 GDI LEU A 316 7. 868 52. 846 -8. 324 1. 00 20. 29 A

ATOM 2382 CD2 LEU A 316 10. 059 52. 257 -9. 373 1. 00 20. 59 A

ATOM 2383 C LEU A 316 10. 116 52. 925 -5. 079 1. 00 20. 12 A

ATOM 2384 O LEU A 316 9. 320 52. 085 -4. 644 1. 00 19. 85 A

ATOM 2385 N THR A 317 11. 418 52. 895 -4. 828 1. 00 19. 53 A

ATOM 2386 CA THR A 317 12. 034 51. 817 -4. 068 1. 00 19. 32 A

ATOM 2387 CB THR A 317 13. 477 51. 592 -4. 574 1. 00 20. 24 A

ATOM 2388 OGl THR A 317 14. 238 52. 779 -4. 346 1. 00 18. 55 A

ATOM 2389 CG2 THR A 317 13. 471 51. 289 -6. 082 1. 00 18. 40 A

ATOM 2390 C THR A 317 12. 080 51. 998 -2. 560 1. 00 21. 28 A

ATOM 2391 O THR A 317 12. 115 51. 012 -1. 814 1. 00 22. 23 A ATOM 2392 N GLY A 318 12.080 53.251 -2.116 1.00 20.56 A

ATOM 2393 CA GLY A 318 12 .173 53 .533 -o .695 1 .00 19 .95 A

ATOM 2394 C GLY A 318 13 .638 53 .619 -o .276 1 .00 20 .51 A

ATOM 2395 O GLY A 318 13 .946 53 .802 o .900 1 .00 20 .94 A

ATOM 2396 N TRP A 319 14 .542 53 .505 -1 .247 1 .00 19 .50 A

ATOM 2397 CA TRP A 319 15 .979 53 .547 -o .981 1 .00 20 .69 A

ATOM 2398 CB TRP A 319 16 .699 52 .463 -1 .808 1 .00 18 .85 A

ATOM 2399 CG TRP A 319 16 .508 51 .079 -1 .282 1 .00 21 .17 A

ATOM 2400 CD2 TRP A 319 17 .526 50 .230 -o .734 1 .00 19 .96 A

ATOM 2401 CE2 TRP A 319 16 .891 49 .060 -o .264 1 .00 21 .21 A

ATOM 2402 CE3 TRP A 319 18 .916 50 .351 -o .592 1 .00 20 .72 A

ATOM 2403 CD1 TRP A 319 15 .331 50 .406 -1 .136 1 .00 23 .13 A

ATOM 2404 NE1 TRP A 319 15 .551 49 .191 -o .520 1 .00 22 .05 A

ATOM 2405 CZ2 TRP A 319 17 .596 48 .014 o .344 1 .00 20 .74 A

ATOM 2406 CZ3 TRP A 319 19 .620 49 .314 o .011 1 .00 19 .70 A

ATOM 2407 CH2 TRP A 319 18 .955 48 .156 o .474 1 .00 20 .82 A

ATOM ,2408 C TRP A 319 16 .612 54 .896 -1 .288 1 .00 20 .10 A

ATOM 2409 O TRP A 319 16 .223 55 .571 -2 .245 1 .00 22 .58 A

ATOM 2410 N ARG A 320 17 .569 55 .306 -o .457 1 .00 20 .00 A

ATOM 2411 CA ARG A 320 18 .283 56 .548 -o .718 1 .00 20 .97 A

ATOM 2412 CB ARG A 320 18 .880 57 .127 o .558 1 .00 22 .11 A

ATOM 2413 CG ARG A 320 17 .831 57 .847 1 .369 1 .00 25 .86 A

ATOM 2414 CD ARG A 320 18 .422 58 .621 2 .514 1, .00 26 .73 A

ATOM 2415 NE ARG A 320 17 .388 59, .421 3. .153 1, .00 25 .34 A

ATOM 2416 CZ ARG A 320 17 .564 60, .116 4 .272 1, .00 26 .69 A

ATOM 2417 NHl ARG A 320 18 .742 60, .117 4 .887 1, .00 23, .91 - A

ATOM 2418 NH2 ARG A 320 16 .551 60, .799 4 .779 • 1, .00 26, .19 A

ATOM 2419 C ARG A 320 19 .370 56, .115 -1. .683 1, .00 22, .81 A

ATOM 2420 O ARG A 320 20 .085 55, .149 -1 .423 1. .00 23, .59 A

ATOM 2421 N ILE A 321 19, .487 56, .840 -2, .790 1. .00 21, .75 A

ATOM 2422 CA ILE A 321 20, .415 56. .496 -3, .843 1. .00 24, .23 A

ATOM .2423 CB ILE A 321 19, .624 56. .275 -5, .166 1. .00 25. .96 A

ATOM 2424 CG2 ILE A 321 20. .567 55. .839 -6, .281 1. .00 29. .52 A

ATOM 2425 CGI ILE A 321 18. .523 55. ,231 -4. .940 1, .00 27. .66 A

ATOM 2426 CD1 ILE A 321 17. .542 55. .094 -6, .117 1. .00 26. .41 A

ATOM 2427 C ILE A 321 21. .510 57. ,524 -4, ,093 1. .00 23. .73 A

ATOM 2428 O ILE A 321 21. .236 58. .704 -4_. .325 1. .00 23. .90 A

ATOM 2429 N ASP A 322 22. .753 57. ,063 -4. ,024 1. .00 22. .09 A

ATOM 2430 CA ASP A 322 23. ,915 57. ,906 -4. .277 1. ,oo 23. ,95 A

ATOM 2431 CB ASP A 322 24. ,973 57. 689 -3. .187 1. , oo 26. ,20 A

ATOM 2432 CG ASP A 322 26. ,288 58. 375 -3. .499 1. ,oo 30. ,29 A

ATOM 2433 ODl ASP A 322 26. ,264 59. 478 -4. ,081 1. oo 32. ,20 A

ATOM 2434 OD2 ASP A 322 27. ,351 57. 818 -3. ,142 1. oo 34. ,01 A

ATOM 2435 C ASP A 322 24. 442 57. 459 -5. ,634 1. oo 24. 00 A

ATOM 2436 O ASP A 322 24. 977 56. 359 -5. 763 1. oo 22. 18 A

ATOM 2437 N ILE A 323 24. 266 58. 304 -6. 647 1. oo 24. 00 A

ATOM 2438 CA ILE A 323 24. 699 57. 978 -7. 998 1. oo 23. 08 A

ATOM 2439 CB ILE A 323 23. 671 58. 492 -9. 031 1. oo 23. 23 A

ATOM 2440 CG2 ILE A 323 24. 135 58. 147 -10. 449 1. oo 24. 81 A

ATOM 2441 CGI ILE A 323 22. 298 57. 871 -8. 739 1. oo 23. 16 A

ATOM 2442 CD1 ILE A 323 21. 205 58. 333 -9. 696 1. oo 26. 61 A

ATOM 2443 C ILE A 323 26. 068 58. 573 -8. 320 1. oo 23. 61 A

ATOM 2444 O ILE A 323 26. 304 59. 764 -8. 107 1. oo 23. 86 A

ATOM 2445 N ARG A 324 26. 966 57. 735 -8. 825 1. oo 22. 56 A

ATOM 2446 CA ARG A 324 28. 320 58. 176 -9. 172 1. oo 24. 36 A

ATOM 2447 CB ARG A 324 29. 333 57. 612 -8. 170 1. oo 27. 73 A

ATOM 2448 CG ARG A 324 29. 057 57. 965 -6. 721 1. oo 33. 92 A

ATOM 2449 CD ARG A 324 30. 090 57. 348 -5. 791 1. oo 38. 08 A

ATOM ^' 2450 NE ARG A 324 29. 821 57. 709 -4. 403 1. oo 43. 06 A

ATOM 2451 CZ ARG A 324 30. 603 57. 390 -3. 378 1. oo 45. 53 A

ATOM 2452 NHl ARG A 324 31. 718 56. 697 -3. 578 1. oo 45. 16 A ATOM 2453 NH2 ARG A 324 30.267 57.768 -2.152 1.00 47.56 A

ATOM 2454 C ARG A 324 28 .711 57 .688 -10 .563 1 .00 24 .26 A

ATOM 2455 O ARG A 324 28 .178 56 .692 -11 .044 1 .00 20 .75 A

ATOM 2456 N GLY A 325 29 .657 58 .383 -11 .191 1 .00 22 .98 A

ATOM 2457 CA GLY A 325 30 .126 57 .984 -12 .506 1 .00 22 .89 A

ATOM 2458 C GLY A 325 31 .193 56 .911 -12 .360 1 .00 23 .78 A

ATOM 2459 O GLY A 325 31 .752 56 .738 -11 .273 1 .00 23 .91 A

ATOM 2460 N ASP A 326 31 .486 56 .192 -13 .442 1 .00 23 .92 A

ATOM 2461 CA ASP A 326 32 .477 55 .124 -13 .387 1 .00 25 .11 A

ATOM 2462 CB ASP A 326 32 .036 53 .946 -14 .261 1 .00 24 .35 A

ATOM 2463 CG ASP A 326 32 .079 54 .260 -15 .747 1 .00 27 .73 A

ATOM 2464 ODl ASP A 326 32 .191 55 .451 -16 .114 1 .00 27 .32 A

ATOM 2465 OD2 ASP A 326 31 .991 53 .299 -16 .547 1 .00 26 .07 A

ATOM 2466 C ASP A 326 33 .871 55 .585 -13 .795 1 .00 26 .98 A

ATOM 2467 O ASP A 326 34 .719 54 .772 -14 .161 1 .00 24 .59 A

ATOM 2468 N ALA A 327 34 .098 56 .890 -13 .719 1 .00 28 .27 A

ATOM 2469 CA ALA A 327 35 .391 57 .466 -14 .072 1 .00 35 .86 A

ATOM 2470 CB ALA A 327 35 .390 57 .909 -15 .533 1 .00 34 .99 A

ATOM 2471 C ALA A 327 35 .691 58 .653 -13 .166 1 .00 40 .48 A

ATOM 2472 O ALA A 327 35 .755 59 .795 -13 .625 1 .00 42 .1_,2 A

ATOM 2473 N PRO A 328 35 .861 58 .402 -11 .859 1 .00 44 .58 A

ATOM 2474 CD PRO A 328 35 .731 57 .113 -11 .158 1 .00 45 .45 A

ATOM 2475 CA PRO A 328 36 .157 59 .483 -10 .913 1 .00 49 .21 A

ATOM 2476 CB PRO A 328 36 .458 58 .731 -9 .622 1. .00 49 .72 A

ATOM 2477 CG PRO A 328 35 .545 57, .546 -9 .721 1. .00 48 .04 A

ATOM 2478 C PRO A 328 37 .341 60, .326 -11 .389 1. .00 52 .96 A

ATOM 2479 O PRO A 328 38, .196 59, .845 -12, .132 o. .00 53, .02 A

ATOM 2480 N PRO A 329 37, .395 61. .600 -10, .969 1. .00 56, .94 A

ATOM 2481 CD PRO A 329 36 .443 62, .267 -10 .060 1, .00 57 .63 A

ATOM 2482 CA PRO A 329 38 .473 62, .518 -11, .352 1, .00 59 .22 A

ATOM 2483 CB PRO A 329 38, .316 63, .656 -10, .351 1. ,00 58, .97 A

ATOM 2484 CG PRO A 329 36, .827 63, .729 -10, .198 1. .00 59', .06 A

ATOM 2485 C PRO A 329 39. ,858 61. .878 -11, .299 1. .00 60, .92 A

ATOM 2486 O PRO A 329 40. ,520 61. .826 -12. ,360 1. .00 61. .95 A

ATOM 2487 OXT PRO A 329 40. .261 61. ,433 -10. .201 1. ,oo 62. .48 A

ATOM 2488 CB VAL B -4 -6. .425 125. ,096 -33. .107 1. .00 55. .55 B

ATOM 2489 CGI VAL B -4 -5. ,174 125. ,705 -33. .724 1. oo 57. ,33 B

ATOM 2490 CG2 VAL B -4 -7. ,659 125. 511 -33. .894 1. oo 56. ,25 B

ATOM 2491 C VAL B -4 -7. ,538 122. 983 -32. .377 1. oo 52. 75 B

ATOM 2492 O VAL B -4 -7. 726 123. 176 -31. 166 1. oo 51. 67 B

ATOM 2493 N VAL B -4 -6. 183 123. 003 -34. 462 1. oo 55. 36 B

ATOM 2494 CA VAL B -4 -6. 307 123. 554 -33. 082 1. oo 54. 20 B

ATOM 2495 N SER B -3 -8. 362 122. 263 -33. 135 1. oo 48. 94 B

ATOM 2496 CA SER B -3 -9. ,580 121. 688 -32. 586 1. oo 43. 46 B

ATOM 2497 CB SER B -3 10. 691 122. 730 -32. 640 1. oo 44. 33 B

ATOM 2498 OG SER B -3 10. 817 123. 236 -33. 956 1. oo 48. 32 B

ATOM 2499 C SER B -3 10. 053 120. 412 -33. 279 1. oo 38. 78 B

ATOM 2500 O SER B -3 11. 248 120. 218 -33. 472 1. oo 38. 06 B

ATOM 2501 N ARG B -2 -9. 120 119. 544 -33. 649 1. oo 34. 59 B

ATOM 2502 CA ARG B -2 -9. 473 118. 283 -34. 292 1. oo 33. 21 B

ATOM 2503 CB ARG B -2 -8. 215 117. 574 -34. 801 1. oo 32. 07 B

ATOM 2504 CG ARG B -2 -7. 539 118. 259 -35. 983 1. oo 34. 89 B

ATOM 2505 CD ARG B -2 -6. 159 117. 678 -36. 235 1. oo 35. 93 B

ATOM 2506 NE ARG B -2 -5. 196 118. 116 -35. 228 1. oo 36. 94 B

ATOM 2507 CZ ARG B -2 -3. 963 117. 632 -35. 107 1. oo 38. 39 B

ATOM 2508 NHl ARG B -2 -3. 533 116. 685 -35. 929 1. oo 37. 26 B

ATOM 2509 NH2 ARG B -2 -3. 159 118. 094 -34. 160 1. oo 38. 52 B

ATOM 2510 C ARG B -2 10. 178 117. 393 -33. 274 1. oo 32. 32 B

ATOM 2511 O ARG B -2 -9. 927 117. 495 -32. 070 1. oo 27. 96 B

ATOM 2512 N ARG B -1 11. 061 116. 524 -33. 758 1. oo 30. 17 B

ATOM 2513 CA ARG B -1 11. 792 115. 614 -32. 886 1. oo 31. 23 B ATOM 2514 CB ARG B -1 -13.301 115.798 -33.058 1.00 33.51 B

ATOM 2515 CG ARG B -1 -13 .814 117 .211 -32 .845 1 .00 40 .23 B

ATOM 2516 CD ARG B -1 -15 .315 117 .247 -33 .075 1 .00 44 .55 B

ATOM 2517 NE ARG B -1 -15 .663 116 .651 -34 .364 1 .00 50 .98 B

ATOM 2518 CZ ARG B -1 -16 .886 116 .257 -34 .705 1 .00 52 . 99 B

ATOM 2519 NHl ARG B -1 -17 .894 116 .393 -33 .854 1 .00 55 .20 B

ATOM 2520 NH2 ARG B -1 -17 .102 115 .718 -35 .898 1 .00 54 .70 B

ATOM 2521 C ARG B -1 -11 .437 114 .177 -33 .246 1 .00 29 .36 B

ATOM 2522 O ARG B -1 -11 .429 113 .818 -34 .422 1 .00 30 .26 B

ATOM 2523 N HIS B o -11 .138 113 .354 -32 .247 1 .00 26 .99 B

ATOM 2524 CA HIS B 0 -10 .821 111 .962 -32 .523 1 .00 26 .09 B

ATOM 2525 CB HIS B 0 -10 .203 111 .282 -31 .307 1 .00 28 .27 B

ATOM 2526 CG HIS B 0 -8 .708 111 .349 -31 .286 1 .00 31 .94 B

ATOM 2527 CD2 HIS B 0 -7 .845 111 .789 -30 .341 1 .00 33 .59 B

ATOM 2528 ND1 HIS B o -7 .934 no .923 -32 .344 1 .00 35 .16 B

ATOM 2529 CEl HIS B o -6 .657 111 .099 -32 .052 1 .00 35 .33 B

ATOM 2530 NE2 HIS B o -6 .576 111, .623 -30 .842 1, .00 35 .00 B

ATOM 2531 C HIS B o -12 .084 111, .233 -32 .949 1, .00 26 .93 B

ATOM 2532 O HIS B o -13 .154 111. .426 -32 .364 1, .00 24 .98 B

ATOM 2533 N MET B 1 -11 .946 no. .398 -33 .974 1, .00 27, .12 B

ATOM 2534 CA MET B 1 -13 .067 109, .652 -34 .524 1. .00 30. .23 B

ATOM 2535 CB MET B 1 -13 .128 109, .871 -36, .036 1. .00 32. .28 B

ATOM 2536 CG MET B 1 -13, .269 111, .332 -36, .444 1, .00 36. .20 B

ATOM 2537 SD MET B 1 -14, .801 112, .101 -35, .847 1. .00 41, .55 B

ATOM 2538 CE MET B 1 -15, .980 111, .536 -37, .050 1, .00 41, .34 B

ATOM 2539 C MET B 1 -13 , .020 108, .161 -34, .200 1. .00 30, .47 B

ATOM 2540 O MET B 1 -13 , .822 107. .379 -34, .711 1. .00 29. .51 B

ATOM 2541 N ASN B 2 -12, .064 107. .778 -33, ,359 1. .00 29. .29 B

ATOM 2542 CA ASN B 2 -11. .912 106. .405 -32. .896 1. .00 28. .88 B

ATOM 2543 CB ASN B 2 -10. .956 105. ,599 -33. .793 1. .00 28. .67 B

ATOM 2544 CG ASN B 2 -11. .517 105. .350 -35. ,185 1. .00 29. .04 B

ATOM 2545 ODl ASN B 2 -11. .038 105. .914 -36. ,170 1. .00 29. .46 B

ATOM 2546 ND2 ASN B 2 -12. .537 104. .502 -35. .271 1. .00 24. .27 B

ATOM 2547 C ASN B 2 -11. .313 106. .548 -31. .502 1. ,oo 28. .91 B

ATOM 2548 O ASN B 2 -10. .906 107. .647 -31. .110 1. ,oo 29. .29 B

ATOM 2549 N ILE B 3 -11. .268 105. .462 -30. .744 1. .00 27. .64 B

ATOM 2550 CA ILE B 3 -10. .697 105. .528 -29. ,407 1. ,oo 27. .20 B

ATOM 2551 CB ILE B 3 -10. .833 104. .178 -28. ,679 1. .00 27. .62 ^' B

ATOM 2552 CG2 ILE B 3 -10. .088 104. ,222 -27. ,344 1. .00 27. .07 B

ATOM 2553 CGI ILE B 3 -12. ,315 103. ,861 -28. ,466 1. oo 27. .29 B

ATOM 2554 GDI ILE B 3 -12. ,576 102. ,490 -27. ,894 1. oo 31. .95 B

ATOM 2555 C ILE B 3 -9. ,223 105. ,924 -29. ,469 1. oo 27. ,35 B

ATOM 2556 O ILE B 3 -8. ,445 105. ,351 -30. ,228 1. oo 27. ,44 B

ATOM 2557 N ASP B 4 -8. ,855 106. ,916 -28. ,662 1. oo 27. ,55 B

ATOM 2558 CA ASP B 4 -7. ,482 107. ,400 -28. ,608 1. oo 28. ,17 B

ATOM 2559 CB ASP B 4 -7. ,459 108. ,813 -28. ,005 1. oo 28. ,36 B

ATOM 2560 CG ASP B 4 -6. ,061 109. 401 -27. ,931 1. oo 30. ,94 B

ATOM 2561 ODl ASP B 4 -5. ,117 108. ,784 -28. ,470 1. 00 31. ,56 B

ATOM 2562 OD2 ASP B 4 -5. ,910 no. 490 -27. ,333 1. 00 30. ,70 B

ATOM 2563 C ASP B 4 -6. ,673 106. 435 -27. 743 1. 00 27. 86 B

ATOM 2564 O ASP B 4 -6. 611 106. ,581 -26. 522 1. 00 28. ,26 B

ATOM 2565 N MET B 5 -6. 065 105. 442 -28. 386 1. 00 27. ,19 B

ATOM 2566 CA MET B 5 -5. 272 104. 436 -27. 687 1. 00 27. 72 B

ATOM 2567 CB MET B 5 -4. 884 103. 308 -28. 649 1. 00 27. 74 B

ATOM 2568 CG MET B 5 -6. 052 102. 521 -29. 221 1. 00 28. 44 B

ATOM 2569 SD MET B 5 -7. 093 101. 788 -27. 945 1. 00 33. 06 B

ATOM 2570 CE MET B 5 -5. 955 100. 593 -27. 228 1. 00 33. 66 B

ATOM 2571 C MET B 5 -4. 007 105. 004 -27. 043 1. 00 28. 58 B

ATOM 2572 O MET B 5 -3. 535 104. 478 -26. 034 1. 00 26. 98 ^• B

ATOM 2573 N ALA B 6 -3. 457 106. 065 -27. 627 1. 00 29. 50 B

ATOM 2574 CA ALA B 6 -2. 253 106. 685 -27. 084 1. 00 30. 61 B ATOM 2575 CB ALA B 6 -1.772 107.805 -28.006 1.00 30.34 B

ATOM 2576 C ALA B 6 -2 .551 107 .238 -25 .688 1 .00 30 .39 B

ATOM 2577 O ALA B 6 -1 .756 107 .079 -24 .762 1 .00 29 .93 B

ATOM 2578 N ALA B 7 -3 .701 107 .886 -25 .539 1 .00 30 .67 B

ATOM 2579 CA ALA B 7 -4 .083 108 .441 -24 .246 1 .00 31 .45 B

ATOM 2580 CB ALA B 7 -5 .328 109 .306 -24 .391 1 .00 32 .52 B

ATOM 2581 C ALA B 7 -4 .338 107 .301 -23 .258 1 .00 33 .60 B

ATOM 2582 O ALA B 7 -3 .971 107 .389 -22 .081 1 .00 31 .13 B

ATOM 2583 N LEU B 8 -4 .961 106 .228 -23 .739 1 .00 35 .62 B

ATOM 2584 CA LEU B 8 -5 .236 105 .075 -22 .886 1 .00 39 .13 B

ATOM 2585 CB LEU B 8 -5 .990 103 .985 -23 .656 1 .00 39 .55 B

ATOM 2586 CG LEU B 8 -7 .511 104 .107 -23 .763 1 .00 42 .82 B

ATOM 2587 CD1 LEU B 8 -8 .064 102 .921 -24 .540 1 .00 42 .61 B

ATOM 2588 CD2 LEU B 8 -8 .123 104 .149 -22^' .366 1 .00 43 .94 B

ATOM 2589 C LEU B 8 -3 .940 104 .493 -22 .339 1 .00 40 .02 B

ATOM 2590 O LEU B 8 -3 .835 104 .198 -21 .149 1 .00 40 .40 B

ATOM 2591 N HIS B 9 -2 .950 104 .328 -23 .209 1 .00 43 .13 B

ATOM 2592 CA HIS B 9 -1 .669 103 .777 -22 .785 1 .00 45 .56 B

ATOM 2593 CB HIS B 9 -o .794 103 .453 -23 .998 1 .00 47 .74 B

ATOM 2594 CG HIS B 9 -1 .355 102 .377 -24 .873 1 .00 50 .59 B

ATOM 2595 CD2 HIS B 9 -1 .466 102 .287 -26 .219 1 .00 51 .15 B

ATOM 2596 ^■ ND1 HIS B ^' 9 -1 .873 101 .205 -24 .367 1 .00 52 .56 B

ATOM 2597 CEl HIS B 9 -2 .281 100 .440 -25 .363 1 .00 52 .88 B

ATOM 2598 NE2 HIS B 9 -2 .045 101 .072 -26 .498 1 .00 52 .23 B

ATOM 2599 C HIS B 9 -o. .934 104 .738 -21 .860 1 .00 47 .48 B

ATOM 2600 O HIS B 9 -o .100 104 .319 -21 .059 1 .00 46 .94 B

ATOM 2601 N ALA B 10 -1, .249 106, .025 -21 .970 1. .00 49, .04 B

ATOM 2602 CA ALA B 10 -o. .620 107, .038 -21, .131 1, .00 52, .67 B

ATOM 2603 CB ALA B 10 -1, .091 108, .428 -21, .544 1, .00 51, .35 B

ATOM 2604 C ALA B 10 -o, .931 106, .791 -19, .656 1, .00 55, .80 B

ATOM 2605 O ALA B 10 -o. .058 106. ,934 -18, .801 1, .00 55, .36 B

ATOM 2606 N ILE B 11 -2, .174 106. ,424 -19, .354 1, .00 60, .47 B

ATOM 2607 CA ILE B 11 -2. ,557 106. ,155 -17. .970 1. .00 66. .78 B

ATOM 2608 CB ILE B 11 -3. .987 106. ,660 -17. ,662 1. .00 66. ,96 B

ATOM 2609 CG2 ILE B 11 -4, .072 108. ,155 -17. .915 1. ,00 67. ,17 B

ATOM 2610 CGI ILE B 11 -5. .011 105. ,920 -18. .524 1. ,00 67. ,76 B

ATOM 2611 GDI ILE B 11 -6. .445 106. ,217 -18. .146 1. ,00 68. ,35 B

ATOM 2612 C ILE B 11 -2. ,483 104. .660 -17. ,655 1. ,00 70. ,47 B

ATOM 2613 O ILE B 11 -3. .386 104. ,100 -17. ,033 .1. ,00 71. .39 B

ATOM 2614 N GLU B 12 -1. ,396 104. 025 -18. 084 1. 00 75. 21 B

ATOM 2615 CA GLU B 12 -1. ,184 102. 597 -17. 863 1. 00 79. 58 B

ATOM 2616 CB GLU B 12 -o. 561 101. 964 -19. 112 1. 00 80. 75 B

ATOM 2617 CG GLU B 12 -o. 138 100. 507 -18. 954 1. 00 82. 57 B

ATOM 2618 CD GLU B 12 -1. 314 99. 561 -18. 805 1. 00 83. 75 B

ATOM 2619 OE1 GLU B 12 -2. 110 99. 741 -17. 859 1. 00 84. 80 B

ATOM 2620 OE2 GLU B 12 -1. 439 98. 634 -19. 635 1. oo 84. 17 B

ATOM 2621 C GLU B 12 -o. 280 102. 342 -16. 659 1. 00 82. 32 B

ATOM 2622 O GLU B 12 o. 647 103. 108 -16. 394 1.oo 82. 72 B

ATOM 2623 N VAL B 13 -o. 559 101. 258 -15. 940 1. oo 85. 37 B

ATOM 2624 CA VAL B 13 o. 221 100. 879 -14. 765 1. oo 88. 32 B

ATOM 2625 CB VAL B 13 1. 612 100. 333 -15. 171 1.oo 88. 55 B

ATOM 2626 CGI VAL B 13 2. 380 99. 882 -13. 937 1. 00 88. 91 B

ATOM 2627 CG2 VAL B 13 1. 451 99. 177 -16. 148 1. 00 88. 64 B

ATOM 2628 C VAL B 13 o. 411 102. 059 -13. 815 1. 00 90. 20 B

ATOM 2629 O VAL B 13 1. 449 102. 722 -13. 830 1. 00 90. 61 B

ATOM 2630 N ASP B 14 -o. 602 102. 311 -12. 993 1. 00 92. 32 B

ATOM 2631 CA ASP B 14. -o. 571 103. 402 -12. 024 1. 00 93. 98 B

ATOM 2632 CB ASP B 14 -0. 469 104. 752 -12. 740 1. 00 94. 80 B

ATOM 2633 CG ASP B 14 0. 946 105. 298 -12. 756 1. 00 95. ^•80 B

ATOM 2634 ODl ASP B 14 1. 169 106. 358 -13. 379 1. oo 96. 66 B

ATOM 2635 OD2 ASP B 14 1. 836 104. 671 -12. 140 1. oo 96. 13 B ATOM 2636 C ASP B 14 -1.817 103.382 -11.147 1.00 94.64 B

ATOM 2637 O ASP B 14 -2 .886 103 .832 -11 .559 1 .00 94 .86 B

ATOM 2638 N GLY B 15 -1 .671 102 .857 -9 .934 1 .00 95 .14 B

ATOM 2639 CA GLY B 15 -2 .795 102 .787 -9 .020 1 .00 95 .74 B

ATOM 2640 C GLY B 15 -3 .460 101 .425 -9 .043 1 .00 96 .23 B

ATOM 2641 O GLY B 15 -2 .812 100 .406 -8 .801 1 .00 96 .31 B

ATOM 2642 N GLY B 16 -4 .757 101 .407 -9 .335 1 .00 96 .56 B

ATOM 2643 CA GLY B 16 -5 .486 100 .153 -9 .383 1 .00 96 .89 B

ATOM 2644 C GLY B 16 -5 .747 99 .688 -10 .802 1 .00 97 .16 B

ATOM 2645 O GLY B 16 -6 .705 98 .955 -ii .058 1 .00 97 .32 B

ATOM 2646 N ILE B 17 -4 .893 100 .114 -11 .728 1 .00 97 .17 B

ATOM 2647 CA ILE B 17 -5 .032 99 .743 -13 .132 1 .00 96 .94 B

ATOM 2648 CB ILE B 17 -4 .147 100 .628 -14 .035 1 .00 96 .84 B

ATOM 2649 CG2 ILE B 17 -4 .441 100 .334 -15 .499 1 .00 96 .58 B

ATOM 2650 CGI ILE B 17 -4 .396 102 .107 -13 .724 1 .00 96 .93 B

ATOM 2651 CD1 ILE B 17 -5 .833 102 .552 -13 .911 1 .00 96 .72 B

ATOM 2652 C ILE B 17 -4 .638 98 .285 -13 .347 1 .00 96 .85 B

ATOM 2653 O ILE B 17 -3 .467 97 .923 -13 .221 1 .00 97 .10 B

ATOM 2654 N SER B 18 -5 .622 97 .453 -13 .675 1 .00 96 .41 B

ATOM 2655 CA SER B 18 -5 .381 96 .033 -13 .907 1 .00 95 .85 B

ATOM 2656 CB SER B 18 -6 .712 95 .287 -14 .018 1 .00 95 .87 B

ATOM 2657 OG SER B 18 -7 .521 95 .510 -12 .876 1 .00 95 .89 B

ATOM 2658 C SER B 18 -4 .566 95 .820 -15 .180 1 .00 95 .22 B

ATOM 2659 O SER B 18 -3 .859 96 .720 -15 .635 1 .00 95 .23 B

ATOM 2660 N VAL B 19 -4 .669 94 .623 -15, .750 1, .00 94 .11 B

ATOM 2661 CA VAL B 19 -3 .944 94 .293 -16 .971 1 .00 92 .89 B

ATOM 2662 CB VAL B 19 -3 .554 92 .800 -17 .003 1 .00 93 .13 B

ATOM 2663 CGI VAL B 19 -2 .728 92 .503 -18 .246 1, .00 93 .36 B

ATOM 2664 CG2 VAL B 19 -2 .777 92 .439 -15, .747 1, .00 93 .34 B

ATOM 2665 C VAL B 19 -4 .795 94, .602 -18, .198 1, .00 91. .76 B

ATOM 2666 O VAL B 19 -4 .273 94. .959 -19, .255 1, .00 91, .91 B

ATOM 2667 N ASN B 20 -6 .110 94, .464 -18, .050 1, .00 90, .11 B

ATOM 2668 CA ASN B 20 -7 .036 94, .723 -19, .147 1, .00 88. .17 B

ATOM 2669 CB ASN B 20 -7, .550 93. .399 -19. .722 1. .00 88. .71 B

ATOM 2670 CG ASN B 20 -8. .169 92. .503 -18. .664 1. .00 88. .86 B

ATOM 2671 ODl ASN B 20 -7, .501 92. .090 -17. .715 1. .00 88. .86 B

ATOM 2672 ND2 ASN B 20 -9. .452 92. .198 -18. .824 1. .00 88. ,76 B

ATOM 2673 C ASN B 20 -8. .216 95. .583 -18. ,706 1. ,oo 86. ,14 B

ATOM 2674 O ASN B 20 -9. .000 96. ,046 -19. ,535 1. ,oo 85. ,97 B

ATOM 2675 N GLU B 21 -8. ,338 95. ,797 -17. ,399 1. .00 83. ,87 B

ATOM 2676 CA GLU B 21 -9. ,429 96. ,599 -16. ,858 1. .00 81. ,44 B

ATOM 2677 CB GLU B 21 -9. ,453 96. ,50.4 -15. ,331 1. oo 82. ,44 B

ATOM 2678 CG GLU B 21 -10. ,574 97. ,298 -14. 685 .1. oo 83. 52 B

ATOM 2679 CD GLU B 21 -11. ,942 96. 876 -15. 183 1. oo 84. 23 B

ATOM 2680 OE1 GLU B 21 -12. 310 95. 699 -1-4. 985 1. oo 84. 53 B

ATOM 2681 OE2 GLU B 21 -12. 646 97. 722 -15. 776 1. oo 84. 60 B

ATOM 2682 C GLU B 21 -9. ,315 98. ,060 -17. 275 1. 00 78. 97 B

ATOM 2683 O GLU B 21 -8. 696 98. 870 -16. 583 1. 00 79. 40 B

ATOM 2684 N LEU B 22 -9. 921 98. 385 -18. 411 1. 00 75. 47 B

ATOM 2685 CA LEU B 22 -9. 911 99. 741 -18. 944 1. oo 71. 34 B

ATOM 2686. CB LEU B 22 -8. 477 100. 181 -19. 256 1. oo 72. 18 B

ATOM 2687 CG LEU B 22 -8. 237 101. 678 -19. 478 1. oo 71. 97 B

ATOM 2688 CD1 LEU B 22 -8. 681 102. 457 -18. 248 1. oo 71. 67 B

ATOM 2689 CD2 LEU B 22 -6. 761 101. 924 -19. 758 1. oo 72. 41 B

ATOM 2690 C LEU B 22 -10. 750 99. 725 -20. 216 1. oo 68. 45 B

ATOM 2691 O LEU B 22 -11. 570 100. 612 -20. 449 1. oo 67. 64 B

ATOM 2692 N LEU B 23 -10. 537 98. 703 -21. 039 1. oo 64. 60 B

ATOM 2693 CA LEU B 23 -11. 295 98. 554 -22. 273 1. oo 61. 05 B

ATOM 2694 CB LEU B 23 -10. 499 97. 737 -23. 297 1. oo 61. oo B

ATOM 2695 CG LEU B 23 -9. 299 98. 431 -23. 947 1. oo 60. 88 B

ATOM 2696 CD1 LEU B 23 -8. 510 97. 427 -24. 770 1. oo 61. 99 B ATOM 2697 CD2 LEU B 23 -9.779 99.583 -24.823 1.00 60.32 B

ATOM 2698 C LEU B 23 -12 .608 97 .851 -21 .942 1 .00 58 .43 B

ATOM 2699 O LEU B 23 -13 .622 98 .057 -22 .607 1 .00 56 .88 B

ATOM 2700 N GLU B 24 -12 .585 97 .023 -20 .901 1 .00 56 .61 B

ATOM 2701 CA GLU B 24 -13 .786 96 .311 -20 .484 1 .00 54 .94 B

ATOM 2702 CB GLU B 24 -13 .463 95 .311 -19 .370 1 .00 56 .72 B

ATOM 2703 CG GLU B 24 -12 .689 94 .087 -19 .839 1 .00 59 .18 B

ATOM 2704 CD GLU B 24 -13 .410 93 .329 -20 .943 1 .00 61 .34 B

ATOM 2705 OE1 GLU B 24 -14 .573 92 .924 -20 .731 1 .00 62 .33 B

ATOM 2706 OE2 GLU B 24 -12 .812 93 .141 -22 .025 1 .00 62 .40 B

ATOM 2707 C GLU B 24 -14 .832 97 .308 -20 .003 1 .00 52 .56 B

ATOM 2708 O GLU B 24 -16 .008 -97 .198 -20 .346 1 .00 51 .98 B

ATOM 2709 N THR B 25 -14 .400 98 .283 -19 .209 1 .00 50 .23 B

ATOM 2710 CA THR B 25 -15 .315 99 .299 -18 .705 1 .00 47 .80 B

ATOM 2711 CB THR B 25 -14 .605 100 .282 -17 .751 1 .00 48 .50 B

ATOM 2712 OGl THR B 25 •15 .535 101 .282 -17 .319 1 .00 49 .84 B

ATOM 2713 CG2 THR B 25 -13 .444 100 .958 -18 .447 1 oo 50 .88 B

ATOM 2714 C THR B 25 -15 .904 100 .082 -19 873 1 oo 45 .68 B

ATOM 2715 O THR B 25 -17 .082 100 .428 -19 .863 1 oo 44 .61 B

ATOM 2716 N ILE B 26 15 .078 100 .352 -20 881 1 oo 43 .82 B

ATOM 2717 CA ILE B 26 15 525 101 089 -22 057 1 oo 42 .25 B

ATOM 2718 CB ILE B 26 14 323 101 534 -22 923 1 oo 41 .86 B

ATOM 2719 CG2 ILE B 26 14 816 102^' 256 -24 170 1 oo 40 16 B

ATOM 2720 CGI ILE B 26 13 415 102 456 -22 103 1 oo 41 38 B

ATOM 2721 GDI ILE B 26 12 134 102 854 -22 804 1 oo 42 21 B

ATOM 2722 C ILE B 26 16 478 100 241 -22 900 1 oo 41 79 B

ATOM 2723 O ILE B 26 17 460 100 752 -23 440 1 oo 42 80 B

ATOM 2724 N LYS B 27 16 192 98 946 -23 009 1 oo 41 63 B

ATOM 2725 CA LYS B 27 17 050 98 047 -23 776 1 oo 43 48 B

ATOM 2726 CB LYS B 27 16 509 96 617 -23 743 1 oo 44 37 B

ATOM 2727 CG LYS B 27 15 342 96 347 -24 669 1 oo 46 77 B

ATOM 2728 CD LYS B 27 15 049 94 854 -24 715 1 oo 48 31 B

ATOM 2729 CE LYS B 27 13 940 94 524 -25 698 1 oo 50 68 B

ATOM 2730 NZ LYS B 27 13 703 93 055 -25 762 1 oo 52 73 B

ATOM 2731 C LYS B 27 18 471 98 044 -23 219 1 oo 43 07 B

ATOM 2732 O LYS B 27 19 445 98 079 -23 971 1 oo 43 27 B

ATOM 2733 N SER B 28 18 580 97 997 -21 896 1 oo 43 75 B

ATOM 2734 CA SER B 28 19 878 97 985 -21 231 1 oo 44 32 B

ATOM 2735 CB SER B 28 19 692 97 864 -19 717 1 oo 46 18 B

ATOM 2736 OG SER B 28 18 927 96 715 -19 395 1 oo 48 39 B

ATOM 2737 C SER B 28 20 656 99 253 -21 548 1 oo 44 07 B

ATOM 2738 O SER B 28 21 831 99 199 -21 910 1 oo 44 32 B

ATOM 2739 N ALA B 29 19 990 100 395 -21 409 1 oo 43 57 B

ATOM 2740 CA ALA B 29 20 614 101 680 -21 685 1- oo 43 29 B

ATOM 2741 CB ALA B 29 19 627 102 807 -21 409 1. oo 43 26 B

ATOM 2742 C ALA B 29 21 093 101 742 -23 131 1. 00 43 24 B

ATOM 2743 O ALA B 29 22 185 102 236 -23 409 1. 00 44 42 B

ATOM 2744 N LEU B 30 20 275 101 241 -24. 052 1. 00 42 91 B

ATOM 2745 CA LEU B 30 20 642 101 251 -25 463 1. oo 42 12 B

ATOM 2746 CB LEU B 30 19. 432 100. 889 -26 331 1. oo 41 42 B

ATOM 2747 CG LEU B 30 18 330 101. 952 -26. 365 1. oo 41 27 B

ATOM 2748 CD1 LEU B 30 17. 142 101. 452 -27. 170 1. oo 41. 13 B

ATOM 2749 CD2 LEU B 30 18. 886 103. 240 -26. 965 1. oo 41. 64 B

ATOM 2750 C LEU B 30 21. 794 100. 291 -25. 737 1. 00 42. 48 B

ATOM 2751 O LEU B 30 22. 639 100. 554 -26. 593 1. 00 40. 86 B

ATOM 2752 N LEU B 31 21. 834 99. 182 -25. 005 1. oo 43. 31 B

ATOM 2753 CA LEU B 31 22. 906 98. 212 -25. 187 1. oo 45. 45 B

ATOM 2754 CB LEU B 31 22. 636 96. 947 -24. 363 1. oo 45. 80 B

ATOM 2755 CG LEU B 31 23. 688 95. 835 -24. 463 1. oo 46. 38 B

ATOM 2756 CD1 LEU B 31 23. 973 95. 513 -25. 925 1. oo 44. 39 B

ATOM 2757 CD2 LEU B 31 23. 196 94. 600 -23. 723 1. oo 45. 34 B ATOM 2758 C LEU B 31 -24.238 98.833 -24.775 1.00 46.91 B

ATOM 2759 0 LEU B 31 -25 .262 98 .600 -25 .415 1 .00 46 .73 B

ATOM 2760 N THR B 32 -24 .219 99 .633 -23 .711 1 .00 48 .43 B

ATOM 2761 CA THR B 32 -25 .435 100 .285 -23 .242 1 .00 50 .10 B

ATOM 2762 CB THR B 32 -25 .234 100 .950 -21 .858 1 .00 51 .29 B

ATOM 2763 OGl THR B 32 -24 .265 102 .001 -21 .961 1 .00 54 .05 B

ATOM 2764 CG2 THR B 32 -24 .753 99 .926 -20 .839 1 .00 51 .31 B

ATOM 2765 C THR B 32 -25 .872 101 .345 -24 .251 1 .00 50 .21 B

ATOM 2766 O THR B 32 -27 .065 101 .549 -24 .473 1 .00 50 .83 B

ATOM 2767 N ALA B 33 -24 .901 102 .015 -24 .866 1 .00 49 .98 B

ATOM 2768 CA ALA B 33 -25 .202 103 .043 -25 .859 1 .00 50 .24 B

ATOM 2769 CB ALA B 33 -23 .927 103 .764 -26 .268 1 .00 49 .97 B

ATOM 2770 C ALA B 33 -25 .860 102 .403 -27 .080 1 .00 50 .66 B

ATOM 2771 O ALA B 33 -26 .839 102 .925 -27 .618 1 .00 50 .32 B

ATOM 2772 N TYR B 34 -25 .316 101 .269 -27 .512 1 .00 50 .28 B

ATOM 2773 CA TYR B 34 -25 .859 100 .552 -28 .661 1 .00 51 .13 B

ATOM 2774 CB TYR B 34 -24 .995 99 .327 -28 .977 1 .00 50 .61 B

ATOM 2775 CG TYR B 34 -25 .602 98 .392 -30 .005 1 .00 49 .12 B

ATOM 2776 CD1 TYR B 34 -25 .708 98 .767 -31 .346 1 .00 48 .53 B

ATOM 2777 CEl TYR B 34 -26 .286 97 .913 -32 .291 1 .00 48 .35 B

ATOM 2778 CD2 TYR B 34 -26 .087 97 .138 -29 .631 1 .00 47 .86 B

ATOM 2779 CE2 TYR B 34 -26 .664 96 .279 -30 .564 1 .00 48 .52 B

ATOM 2780 CZ TYR B 34 -26 .761 96 .671 -31 .890 1 .00 48 .55 B

ATOM 2781 OH TYR B 34 -27 .337 95 .823 -32 .811 1 .00 48 .05 B

ATOM 2782 C TYR B 34 -27 .293 100 .102 -28 .383 1 .00 52 .40 B

ATOM 2783 O TYR B 34 -28 .168 100, .218 -29, .240 1, .00 50, .85 B

ATOM 2784 N ARG B 35 -27 .524 99, .584 -27, .181 1. .00 54, .70 B

ATOM 2785 CA ARG B 35 -28, .846 99, .108 -26, .790 1, .00 58, .56 B

ATOM 2786 CB ARG B 35 -28, .755 98. .321 -25, .479 1, .00 58, .71 B

ATOM 2787 CG ARG B 35 -28, .082 96. .965 -25, .621 1. .00 59. .07 B

ATOM 2788 CD ARG B 35 -27, .908 96. .282 -24, .274 1, .00 60. .62 B

ATOM 2789 NE ARG B 35 -27, .388 94. .924 -24. ,415 1. .00 61. ,57 B

ATOM 2790 CZ ARG B 35 -27, .033 94. .146 -23. .397 1. .00 62. .52 B

ATOM 2791 NHl ARG B 35 -27. .136 94. .589 -22. .150 1. .00 62. ,70 B

ATOM 2792 NH2 ARG B 35 -26. .575 92. ,922 -23. ,625 1. .00 62. .95 B

ATOM 2793 C ARG B 35 -29. .872 100. ,230 -26. .648 1. ,00 60. .59 B

ATOM 2794 O ARG B 35 -31. .038 99. ,973 -26. .351 1. ,oo 61. .54 B

ATOM 2795 N HIS B 36 -29. .438 101. ,468 -26. .863 1. ,oo 63. ,22 B

ATOM 2796 CA HIS B 36 -30. ,329 102. ,621 -26. .758 1. ,oo 66. ,14 B

ATOM 2797 CB HIS B 36 -29. .738 103. ,666 -25. ,807 1. oo 67. ,43 B

ATOM 2798 CG HIS B 36 -29. ,720 103. 241 -24. ,372 1. oo 68. ,83 B

ATOM 2799 CD2 HIS B 36 -30. ,249 102. 158 -23. ,755 1. oo 69. ,55 B

ATOM 2800 ND1 HIS B 36 -29. ,107 103. 982 -23. ,385 1. oo 69. ,44 B

ATOM 2801 CEl HIS B 36 -29. ,258 103. 374 -22. ,222 1. oo 69. 77 B

ATOM 2802 NE2 HIS B 36 -29. 948 102. 265 -22. ,419 1. oo 70. ,66 B

ATOM 2803 C HIS B 36 -30. 592 103. 268 -28. .114 1. oo 67. 60 B

ATOM 2804 O HIS B 36 -31. 442 104. 149 -28. 231 1. oo 67. 42 B

ATOM 2805 N THR B 37 -29. 861 102. 831 -29. 134 1. oo 69. 84 B

ATOM 2806 CA THR B 37 -30. 025 103. 378 -30. 475 1. oo 72. 31 B

ATOM 2807 CB THR B 37 -28. 826 103. 012 -31. 378 1. oo 72. 38 ^■B

ATOM 2808 OGl THR B 37 -28. 920 103. 732 -32. 613 1. oo 73. 68 B

ATOM 2809 CG2 THR B 37 -28. 817 101. 522 -31. 676 1. oo 72. 73 B

ATOM 2810 C THR B 37 -31. 307 102. 845 -31. 108 1. oo 73. 72 B

ATOM 2811 O THR B 37 -31. 750 101. 740 -30. 790 1. oo 74. 19 B

ATOM 2812 N GLN B 38 -31. 900 103. 630 -32. 003. 1. oo 75. 44 B

ATOM 2813 CA GLN B 38 -33. 135 103. 224 -32. 666 1. oo 77. 01 B

ATOM 2814 CB GLN B 38 -33. 673 104. 357 -33. 544 1. oo 77. 87 B

ATOM 2815 CG GLN B 38 -32. 769 104. 719 -34. 711 1. oo 79. 15 B

ATOM 2816 CD GLN B 38 -33. 464 105. 596 -35. 734 1. oo 79. 88 B

ATOM 2817 OE1 GLN B 38 -34. 470 105. 200 -36. 325 1. oo 80. 11 B

ATOM 2818 NE2 GLN B 38 -32. 929 106. 792 -35. 952 1. oo 79. 99 B ATOM 2819 C GLN B 38 -32.928 101.984 -33.526 1.00 77.71 B

ATOM 2820 O GLN B 38 -31 .905 101 .844 -34 .196 1 .00 77 .71 B

ATOM 2821 N GLY B 39 -33 .911 101 .090 -33 .503 1 .00 78 .53 B

ATOM 2822 CA GLY B 39 -33 .832 99 .873 -34 .290 1 .00 79 .03 B

ATOM 2823 C GLY B 39 -32 .619 99 .027 -33 .968 1 .00 79 .44 B

ATOM 2824 O GLY B 39 -32 .047 98 .389 -34 .852 1 .00 79 .71 ' B

ATOM 2825 N HIS B 40 -32 .222 99 .019 -32 .699 1 .00 79 .67 B

ATOM 2826 CA HIS B 40 -31 .068 98 .238 -32 .271 1 .00 79 .69 B

ATOM 2827 CB HIS B 40 -30 .680 98 .608 -30 .837 1 .00 80 .28 B

ATOM 2828 CG HIS B 40 -31 .751 98 .331 -29 .829 1 .00 81 .04 B

ATOM 2829 CD2 HIS B 40 -31 .749 97 .562 -28 .714 1 .00 81 .31 B

ATOM 2830 ND1 HIS B 40 -33 .011 98 .882 -29 .911 1 .00 81 .57 B

ATOM 2831 CEl HIS B 40 -33 .740 38 .465 -28 .891 1 .00 82 .02 B

ATOM 2832 NE2 HIS B 40 -32 .997 97 .662 -28 .149 1 .00 81 .75 B

ATOM 2833 C HIS B 40 -31 .380 96 .749 -32 .355 1 .00 79 .27 B

ATOM 2834 O HIS B 40 -32 .439 96 .354 -32 .842 1 .00 79 .46 B

ATOM 2835 N GLN B 41 -30 .451 95 .927 -31 .879 1 .00 78 .43 B

ATOM 2836 CA GLN B 41 -30 .623 94 .479 -31 .900 1 .00 77 .76 B

ATOM 2837 CB GLN B 41 -29 .899 93 .878 -33 .108 1 .00 78 .53 B

ATOM 2838 CG GLN B 41 -30 .433 94 .330 -34 .459 1 .00 80 .02 B

ATOM 2839 CD GLN B 41 -31 .800 93 .756 -34 .770 1 .00 80 .87 B

ATOM 2840 OE1 GLN B 41 -32 .768 93 .992 -34 .046 1 .00 81 .71 B

ATOM 2841 NE2 GLN B 41 -31 .887 92 .994 -35 .856 1 .00 80 .99 B

ATOM 2842 C GLN B 41 -30 .064 93 .865 -30 .624 1, .00 76 .50 B

ATOM 2843 O GLN B 41 -28 .881 94 .017 -30 .324 1, .00 76 .58 B

ATOM 2844 N THR B 42 -30. .911 93 .176 -29 .868 1, .00 75 .13 B

ATOM 2845 CA THR B 42 -30 .458 92 .542 -28 .637 1. .00 73 .53 B

ATOM 2846 CB THR B 42 -31 .634 91 .943 -27 .839 1. .00 74 .05 B

ATOM 2847 OGl THR B 42 -32 .201 90 .845 -28 .566 1. .00 74 .03 B

ATOM 2848 CG2 THR B 42 -32. .709 92, .997 -27 .607 1. .00 74 .10 B

ATOM 2849 C THR B 42 -29, .501 91. .425 -29 .030 1. .00 71, .83 B

ATOM 2850 O THR B 42 -29, .367 91. .110 -30, .211 1. ,00 72, .13 B

ATOM 2851 N ASP B 43 -28, .832 90. .831 -28, .049 1. ,oo 70, .08 B

ATOM 2852 CA ASP B 43 -27. ,889 89. .751 -28, .327 1. .00 67. .58 B

ATOM 2853 CB ASP B 43 -28. .626 88. .556 -28. ,942 1. oo 69. .88 B

ATOM 2854 CG ASP B 43 -29. ,771 88. .058 -28. .068 1. oo 72. ,45 B

ATOM 2855 ODl ASP B 43 -30. ,496 87. ,137 -28. .504 1. oo 73. .25 B

ATOM 2856 OD2 ASP B 43 -29. ,947 88. ,584 -26. ,946 1. oo 73. .74 B

ATOM 2857 C ASP B 43 -26. ,789 90. 231 -29. .279 1. oo 64. ,79 B

ATOM 2858 O ASP B 43 -26. 740 89. 835 -30. ,443 1. oo 63. ,76 B

ATOM 2859 N ALA B 44 -25. 914 91. 094 -28. ,771 1. oo 60. ,82 B

ATOM 2860 CA ALA B 44 -24. 810 91. 638 -29. ,555 1. oo 56. 90 B

ATOM 2861 CB ALA B 44 -25. 224 92. 958 -30. 193 1. oo 56. 17 B

ATOM 2862 C ALA B 44 -23. 600 91. 848 -28. 653 1. oo 54. 71 B

ATOM 2863 O ALA B 44 -23. 732 91. 901 -27. 430 1. oo 54. 29 B

ATOM 2864 N ARG B 45 -22. 420 91. 966 -29. 253 1. oo 52. 09 B

ATOM 2865 CA ARG B 45 -21. 201 92. 170 -28. 477 1. oo 49. 51 B

ATOM 2866 CB ARG B 45 -20. 393 90. 871 -28. 418 1. oo 51. 12 B

ATOM 2867 CG ARG B 45 -19. 971 90. 319 -29. 771 1. oo 52. 75 B

ATOM 2868 CD ARG B 45 -19. 422 88. 907 -29. 618 1. oo 55. 47 B

ATOM 2869 NE ARG B 45 -18. 929 88. 343 -30. 873 1. oo 56. 76 B

ATOM 2870 CZ ARG B 45 -17. 841 88. 765 -31. 510 1. oo 57. 65 B

ATOM 2871 NHl ARG B 45 -17. 121 89. 763 -31. 016 1. oo 58. 45 B

ATOM 2872 NH2 ARG B 45 -17. 466 88. 179 -32. 640 1. oo 58. 01 B

ATOM 2873 C ARG B 45 -20. 334 93. 292 -29. 036 1. oo 46. 99 B

ATOM 2874 O ARG B 45 -20. 359 93. 574 -30. 234 1. oo 45. 25 B

ATOM 2875 N ILE B 46 -19. 577 93. 936 -28. 155 1. oo 44. 73 B

ATOM 2876 CA ILE B 46 -18. 695 95. 023 -28. 555 1.oo 42. 46 B

ATOM 2877 CB ILE B 46 -18. 676 96. 162 -27. 510 1. oo 41. 82 B

ATOM 2878 CG2 ILE B 46 -17. 742 97. 274 -27. 974 1. oo 40. 77 B

ATOM 2879 CGI ILE B 46 -20. 090 96. 705 -27. 293 1. oo 39. 49 B ATOM 2880 CD1 ILE B 46 -20.720 97.306 -28.526 1.00 40.35 B

ATOM 2881 C ILE B 46 -17 .275 94 .501 -28 .714 1 .00 42 .24 B

ATOM 2882 0 ILE B 46 -16 .733 93 .862 -27 .810 1 .00 42 .25 B

ATOM 2883 N GLU B 47 -16 .682 94 .768 -29 .872 1 .00 41 .55 B

ATOM 2884 CA GLU B 47 -15 .320 94 .341 -30 .147 1 .00 41 .27 B

ATOM 2885 CB GLU B 47 -15 .292 93 .410 -31 .365 1 .00 45 .23 B

ATOM 2886- CG GLU B 47 -13 .904 92 .906 -31 .737 1 .00 51 .14 B

ATOM 2887 CD GLU B 47 -13 .937 91 .754 -32 .734 1 .00 55 .17 B

ATOM 2888 OE1 GLU B 47 -12 .859 91 .375 -33 .245 1 .00 56 .94 B

ATOM 2889 OE2 GLU B 47 -15 .037 91 .221 -33 .001 1 .00 55 .69 B

ATOM 2890 C GLU B 47 -14 .473 95 .585 -30 .398 1 .00 39 .93 B

ATOM 2891 O GLU B 47 -14 .918 96 .526 -31 .059 1 .00 37 .26 B

ATOM 2892 N ILE B 48 -13 .261 95 .585 -29 .852 1 .00 38 .16 B

ATOM 2893 CA ILE B 48 -12 .347 96 .708 -29 .999 1 .00 37 .84 B

ATOM 2894 CB ILE B 48 -12 .210 97 .497 -28 .671 1 .00 37 .61 B

ATOM 2895 CG2 ILE B 48 -11 .227 98 .657 -28 .847 1 .00 37 .07 B

ATOM 2896 CGI ILE B 48 -13 .578 98 .025 -28 .229 1 .00 37 .33 B

ATOM 2897 GDI ILE B 48 -13 .538 98 .868 -26 .963 1 .00 36 .28 B

ATOM ^■ 2898 C ILE B 48 -10 .964 96 .238 -30 .418 1 .00 37 .57 B

ATOM 2899 O ILE B 48 -10 .336 95 .433 -29 .730 1 .00 37 .37 B

ATOM 2900 N ASP B 49 -10 .495 96 .740 -31 .555 1 .00 37 .49

ATOM 2901 CA ASP B 49 -9 .172 96 .389 -32 .055 1 .00 38 .44 B

ATOM 2902 CB ASP B 49 -9 .025 96 .832 -33 .513 1 .00 40 .06 B

ATOM 2903 CG ASP B 49 -7 .698 96 .410 -34 .125 1, .00 41 .31 B

ATOM 2904 ODl ASP B 49 -6 .652 96 .567 -33 .462 1, .00 41 .78 B

ATOM 2905 OD2 ASP B 49 -7. .701 95 .932 -35 .279 1, .00 43 .41 B

ATOM 2906 C ASP B 49 -8 .172 97 .134 -31 .178 1, .00 38 .92 B

ATOM 2907 O ASP B 49 -8 .127 98, .368 -31 .185 1. .00 38 .76 B

ATOM 2908 N ARG B 50 -7 .378 96, .388 -30 .419 1. .00 39 .44 B

ATOM 2909 CA ARG B 50 -6, .396 96, .991 -29, .522 1. .00 41, .88 B

ATOM 2910 CB ARG B 50 -5. .693 95. .911 -28, .694 1. ,oo 45, .08 B

ATOM 2911 CG ARG B 50 -6, .461 95, .478 -27, .458 1. .00 50 .51 B

ATOM 2912 CD ARG B 50 -5, .598 94. .597 -26, .567 1, ,00 53 , .48 B

ATOM 2913 NE ARG B 50 -6. .163 94. .457 -25, .229 1. ,00 57, .39 B

ATOM 2914 CZ ARG B 50 -5. .530 93. .888 -24. .209 1. ,00 59. .37 B

ATOM 2915 NHl ARG B 50 -4. .306 93, .402 -24. .374 1. 00 60. .46 B

ATOM 2916 NH2 ARG B 50 -6. .116 93. .813 -23. .020 1. 00 60. .47 B

ATOM 2917 C ARG B 50 -5. ,345 97. ,857 -30. .212 1. oo 40. .07 B

ATOM 2918 O ARG B 50 -4. ,900 98. ,857 -29. ,652 1. 00 41. .20 B

ATOM 2919 N LYS B 51 -4. ,957 97. 479 -31. ,424 1. 00 37. ,11 B

ATOM 2920 CA LYS B 51 -3. 946 98. 229 -32. 167 1. 00 36. 37 B

ATOM 2921 CB LYS B 51 -3. ,397 97. 381 -33. ,319 ^' 1. 00 36. ,57 B

ATOM 2922 CG LYS B 51 -2. 677 96. 114 -32. ,905 1. 00 40. ,05 B

ATOM 2923 CD LYS B 51 -1. 376 96. 422 -32. ,186 1. oo 41. ,49 B

ATOM 2924 CE LYS B 51 -o. 612 95. 148 -31. 881 1. oo 43. 89 B

ATOM 2925 NZ LYS B 51 o. 631 95. 432 -31. 122 1. oo 46. 67 B

ATOM 2926 C LYS B 51 -4. 450 99. 547 -32. 753 1. oo 34. 55 B

ATOM 2927 O LYS B 51 -3. 728 100. 541 -32. 765 1. oo 34. 46 B

ATOM 2928 N THR B 52 -5. 687 99. 549 -33. 239 1.. oo 32. 88 B

ATOM 2929 CA THR B 52 -6. 250 100. 734 -33. 882 1. oo 32. 09 B

ATOM 2930 CB THR B 52 -6. 899 100. 349 -35. 221 1. oo 32. 60 B

ATOM 2931 OGl THR B 52 -7. 962 99. 414 -34. 980 1. oo 31. 14 B

ATOM 2932 CG2 THR B 52 -5. 870 99. 713 -36. 146 1. oo 33. 72 B

ATOM 2933 C THR B 52 -7. 282 101. 528 -33. 090 1. oo 30. 16 B

ATOM 2934 O THR B 52 -7. 565 102. 683 -33. 419 1. oo 31. 15 B

ATOM 2935 N GLY B 53 -7. 858 100. 910 -32. 068 1. oo 28. 27 B

ATOM 2936 CA GLY B 53 -8. 870 101. 590 -31. 286 1. oo 27. 44 B

ATOM 2937 C GLY B 53 10. 203 101. 623 -32. 017 1. oo 28. 39 B

ATOM 2938 O GLY B 53 11. 123 102. 336 -31. 614 1. oo 28. 51 B

ATOM 2939 N VAL B 54 10. 316 100. 851 -33. 096 1. oo 25. 37 B

ATOM 2940 CA VAL B 54 11. 554 100. 818 -33. 867 1. oo 26. 61 B ATOM 2941 CB VAL B 54 -11.323 100.280 -35.296 1.00 27.20 B

ATOM 2942 CGI VAL B 54 -12 .656 100 .113 -36 .018 1 .00 27 .98 B

ATOM 2943 CG2 VAL B 54 -10 .433 101 .250 -36 .077 1 .00 26 .68 B

ATOM 2944 C VAL B 54 -12 .576 99 .933 -33 .162 1 .00 27 .50 B

ATOM 2945 0 VAL B 54 -12 .250 98 .846 -32 .684 1 .00 28 .12 B

ATOM 2946 N VAL B 55 -13 .810 100 .415 -33 .103 1 .00 27 .77 B

ATOM 2947 CA VAL B 55 -14 .888 99 .686 -32 .449 1 .00 29 .50 B

ATOM 2948 CB VAL B 55 -15 .605 100 .586 -31 .410 1 .00 31 .07 B

ATOM 2949 CGI VAL B 55 -16 .747 99 .818 -30 .740 1 .00 31 .65 B

ATOM 2950 CG2 VAL B 55 -14 .606 101 .076 -30 .371 1 .00 30 .34 B

ATOM 2951 C VAL B 55 -15 .923 99 .200 -33 .457 1 .00 30 .30 B

ATOM 2952 O VAL B 55 . -16 .258 99 .900 -34 .412 ^' 1 .00 30 .80 B

ATOM 2953 N ARG B 56 -16 .413 97 .985 -33 .250 1 .00 32 .95 B

ATOM 2954 CA ARG B 56 -17 .448 97 .433 -34 .111 1 .00 34 .63 B

ATOM 2955 CB ARG B 56 -16 .862 96 .551 -35 .223 1 .00 37 .17 B

ATOM 2956 CG ARG B 56 -16 .029 95 .371 -34 .765 '1 .00 40 .32 B

ATOM 2957 CD ARG B 56 -15 .942 94 .310 -35 .866 1 .00 44 .16 B

ATOM 2958 NE ARG B 56 -16 .177 94 .867 -37 .197 1 .00 46' .53 B

ATOM 2959 CZ ARG B 56 -16 .196 94 .152 -38 .319 1 .00 49 .69 B

ATOM 2960 NHl ARG B 56 -15 .989 92 .841 -38 .281 1 .00 49 .26 B

ATOM 2961 NH2 ARG B^' 56 -16 .429 94 .749 -39 .483 1 .00 50 .01 B

ATOM 2962 C ARG B 56 -18 .413 96 .622 -33 .257 1, .00 34 .64 B

ATOM 2963 O ARG B 56 -18 .009 95 .956 -32 .303 1 .00 36 .38 ^' B

ATOM 2964 N VAL B 57 -19 .694 96 .712 -33 .587 1, .00 34 .52 B

ATOM 2965 CA VAL B 57 -20 .712 95, .977 -32 .859 1, .00 34 .25 B

ATOM 2966 CB VAL B 57 -21 .973 96, .833 -32, .635 1, .00 35, .21 B

ATOM 2967 CGI VAL B 57 -22 .999 96 .048 -31 .826 1, .00 34 .80 B

ATOM 2968 CG2 VAL B 57 -21 .603 98, .123 -31 .915 1, .00 34, .13 B

ATOM 2969 C VAL B 57 -21, .078 94, .762 -33 .699 1. .00 34, .52 B

ATOM • 2970 0 VAL B 57 -21, .573 94. .902 -34. .815 1. .00 34. .28 B

ATOM 2971 N ILE B 58 -20, .807 93. .576 -33. .166 1. .00 35. .09 B

ATOM 2972 CA ILE B 58 -21, .117 92. .338 -33. .870 1. .00 36. .80 B

ATOM 2973 CB ILE B 58 -19. .992 91. .305 -33. .693 1. .00 36. .30 B

ATOM 2974 CG2 ILE B 58 -20. .361 90. ,003 -34. ,399 1. ,oo 36. .58 B

ATOM 2975 CGI ILE B 58 -18. .687 91. .865 -34. .272 1. .00 36. .59 B

ATOM 2976 GDI ILE B 58 -17. .551 90. ,870 -34. .304 1. ,oo 40. ,21 B

ATOM 2977 C ILE B 58 -22. ,426 91. ,771 -33. ,330 1. .00 38. .33 B

ATOM 2978 0 ILE B 58 -22. ,516 91. 398 -32. ,163 1. oo 37. .79 B

ATOM 2979 N ALA B 59 -23. .441 91. ,731 -34. .186 1. ,oo 40. .48 B

ATOM 2980 CA ALA B 59 -24. ,751 91. ,225 -33. ,797 1. ,oo 44. ,65 B

ATOM 2981 CB ALA B 59 -25. ,833 91. 863 -34. ,655 1. oo 43. ,21 B

ATOM 2982 C ALA B 59 -24. ,809 89. 710 -33. ,915 1. oo 48. ,32 B

ATOM 2983 0 ALA B 59 -24. ,266 89. 124 -34. ,856 1. oo 45. ,84 B

ATOM 2984 N ARG B 60 -25. ,482 89. 092 -32. 948 1. oo 53. ,15 B

ATOM 2985 CA ARG B 60 -25. 629 87. 643 -32. 871 1. oo 58. 84 B

ATOM 2986 CB ARG B 60 -24. ,880 87. 126 -31. 637 1. oo 60. ,13 B

ATOM 2987 CG ARG B 60 -23. 540 87. 810 -31. 396 1. oo 63. ,52 B

ATOM 2988 CD ARG B 60 -23. 030 87. 598 -29. 970 1. oo 66. 18 B

ATOM 2989 NE ARG B 60 -23. 881 88. 232 -28. 962 1. oo 68. 14 B

ATOM 2990 CZ ARG B 60 -23. 602 ^' 88. 263 -27. 661 1. oo 68. 40 B

ATOM 2991 NHl ARG B 60 -22. 494 87. 696 -27. 204 1. oo 68. 44 B

ATOM 2992 NH2 ARG B 60 ^' -24. 431 88. 862 -26. 815 1. oo 69. 70 B

ATOM 2993 C ARG B 60 -27. 113 87. 292 -32. 740 1. oo 61. 88 B

ATOM 2994 O ARG B 60 -27. 973 87. 918 -33. 359 1.oo 61. 71 B

ATOM 2995 N GLU B 61 -27. 395 86. 286 -31. 919 1. oo 66. 55 B

ATOM 2996 CA GLU B 61 -28. 757 85. 826 -31. 658 1. oo 70. 73 B

ATOM 2997 CB GLU B 61 -29. 305 85. 027 -32. 849 1. oo 71. 15 B

ATOM 2998 CG GLU B 61 -29. 879 85. 880 -33. 975 1. oo 70. 94 B

ATOM 2999 CD GLU B 61 -29. 086 85. 767 -35. 261 1. oo 70. 16 B

ATOM 3000 OE1 GLU B 61 -27. 876 86. 077 -35. 246 1. oo 70. 06 B

ATOM 3001 OE2 GLU B 61 -29. 674 85. 373 -36. 290 1. oo 69. 76 B ATOM 3002 C GLU B 61 -28.739 84.950 -30.412 1.00 73.29 B

ATOM 3003 O GLU B 61 -29 .602 84 .089 -30 .224 1 .00 74 .03 B

ATOM 3004 N THR B 62 -27 .741 85 .181 -29 .564 1 .00 76 .04 B

ATOM 3005 CA THR B 62 -27 .575 84 .424 -28 .330 1 .00 78 .72 B

ATOM 3006 CB THR B 62 -26 .334 84 .912 -27 .549 1 .00 79 .16 B

ATOM 3007 OGl THR B 62 -26 .323 84 .322 -26 .243 1 .00 79 .73 B

ATOM 3008 CG2 THR B 62 -26 .339 86 .430 -27 .432 1 .00 79 .30 B

ATOM 3009 C THR B 62 -28 .801 84 .514 -27 .427 1 .00 80 .13 B

ATOM 3010 O THR B 62 -28 .979 85 .486 -26 .692 1 .00 80 .39 B

ATOM 3011 N ASP B 63 -29 .643 83 .487 -27 .489 1 .00 81 .85 B

ATOM 3012 CA ASP B 63 -30 .854 83 .436 -26 .681 1 .00 83 .74 B

ATOM 3013 CB ASP B 63 -32 .088 83 .609 -27 .572 1 .00 84 .33 B

ATOM 3014 CG ASP B 63 -32 .140 82 .598 -28 .703 1 .00 84 .86 B

ATOM 3015 ODl ASP B 63 -33 .081 82 .671 -29 .523 1 .00 84 .88 B

ATOM 3016 OD2 ASP B 63 ,-31 .243 81 .731 -28 .774 1 .00 85 .14 B

ATOM 3017 C ASP B 63 -30 .941 82 .116 -25 .921 1 .00 84 .78 B

ATOM 3018 O ASP B 63 -31 .830 ^' 81 .924 -25 .090 1 .00 85 .50 B

ATOM 3019 N GLY B 64 -30 .010 81 .211 -26 .209 1 .00 85 .42 B

ATOM 3020 CA GLY B 64 -29 .997 79 .922 -25 .542 1 .00 86 .17 B

ATOM 3021 C GLY B 64 -30 .397 78 .780 -26 .457 1 .00 86 .55 B

ATOM 3022 O GLY B 64 -30 .873 79 .005 -27 .571 1 .00 86 .74 B

ATOM 3023 N ALA B 65 -30 .204 77 .552 -25 .983 1 .00 86 .78 B

ATOM 3024 CA ALA B 65 -30 .546 76 .361 -26 .755 1 .00 86 .80 B

ATOM 3025 CB ALA B 65 -32 .057 76 .277 -26 .944 1 .00 87 .15 B

ATOM 3026 C ALA B 65 -29 .847 76 .359 -28 .111 1 .00 86 .53 B

ATOM 3027 O ALA B 65 -30. .365 75 .813 -29 .087 1, .00 86 .42 B

ATOM 3028 N GLY B 66 -28 .669 76 .972 -28 .164 1, .00 86 .25 B

ATOM 3029 CA GLY B 66 -27. .917 77 .031 -29 .404 1, .00 85. .56 B

ATOM 3030 C GLY B 66 -26. .439 76, .768 -29 .191 1, .00 84, .86 ^' B

ATOM 3031 O GLY B 66 -26, .044 76, .183 -28, .183 1. .00 84, .89 B

ATOM 3032 N ASN B ^' 67 -25, .618 77, .202 -30, .142 1. .00 83. .81 B

ATOM 3033 CA ASN B 67 -24, .176 77, .007 -30. .050 1. .00 82. .63 B

ATOM 3034 CB ASN B 67 -23. ,817 75, .567 -30. .429 1. .00 83. .39 B

ATOM 3035 CG ASN B 67 -22. .372 75. .225 -30. .122 1. .00 84. .05 B

ATOM 3036 ODl ASN B 67 -21. .447 75. .851 -30. ,641 1. ,00 84. ,49 B

ATOM 3037 ND2 ASN B 67 -22. .171 74. ,226 -29. ,270 1. ,oo 84. .45 B

ATOM 3038 C ASN B 67 -23. .443 77. ,981 -30. ,968 1. ,oo 81. ,16 B

ATOM 3039 O ASN B 67 -22. ,312 78. ,382 -30. ,689 1. .00 81. 33 B

ATOM 3040 N GLY B 68 -24. ,097 78. ,359 -32. ,062 1. oo 79. 33 B

ATOM 3041 CA GLY B 68 -23. ,498 79. ,285 -33. 005 1. oo 76. 61 B

ATOM 3042 C GLY B 68 -24. 501 79. 790 -34. 023 1. oo 74. 56 B

ATOM 3043 O GLY B 68 -25. 022 79. 020 -34. 829 1. oo 75. 09 B

ATOM 3044 N ILE B 69 -24. 774 81. 089 -33. 987 1. oo 71. 81 B

ATOM 3045 CA ILE B 69 -25. 724 81. 692 -34. 914 1. oo 68. 92 B

ATOM 3046 CB ILE B 69 -26. 908 82. 340 -34. 156 1. oo 69. 40 B

ATOM 3047 CG2 ILE B 69 -27. 900 82. 931 -35. 145 1. oo 69. 18 B

ATOM 3048 CGI ILE B 69 -27. 602 81. 291 -33. 282 1. oo 70. 44 B

ATOM 3049 CD1 ILE B 69 -28. 726 81. 838 -32. 417 1. oo 69. 66 B

ATOM 3050 C ILE B 69 -25. 040 82. 759 -35. 767 1. oo 66. 09 B

ATOM 3051 O ILE B 69 -24. 081 83. 399 -35. 327 1. oo 66. 91 B

ATOM 3052 N SER B 70 -25. 541 82. 939 -36. 987 1. oo 60. 57 B

ATOM 3053 CA SER B 70 -25. 006 83. 926 -37. 920 1. oo 55. 33 B

ATOM 3054 CB SER B 70 -26. 066 84. 273 -38. 966 1. oo 54. 95 B

ATOM 3055 OG SER B 70 -25. 647 85. 344 -39. 792 1. oo 56. 60 B

ATOM 3056 C SER B 70 -24. 559 85. 201 -37. 213 1. oo 51. 75 B

ATOM 3057 O SER B 70 -25. 180 85. 631 -36. 241 1. oo 48. 63 B

ATOM 3058 N GLU B 71 -23. 475 85. 796 -37. 705 1. oo 48. 17 B

ATOM 3059 CA GLU B 71 ^■ -22. 950 87. 034 -37. 133 1. oo 45. 24 B

ATOM 3060 CB GLU B 71 -21. 608 86. 792 -36. 442 1. oo 46. 63 B

ATOM 3061 CG GLU B 71 -21. 667 85. 916 -35. 214 1. oo 50. 64 B

ATOM 3062 CD GLU B 71 -20. 380 85. 974 -34. 416 1. oo 52. 80 B ATOM 3063 OE1 GLU B 71 -19.310 85.677 -34.989 1.00 53.97 B

ATOM 3064 OE2 GLU B 71 -20 .442 86 .320 -33 .215 1 .00 55 .21 B

ATOM 3065 C GLU B 71 -22 .749 88 .087 -38 .213 1 .00 42 .96 B

ATOM 3066 O GLU B 71 -22 .333 87 .771 -39 .329 1 .00 41 .68 B

ATOM 3067 N TRP B 72 -23 .043 89 .340 -37 .879 1 .00 39 .45 B

ATOM 3068 CA TRP B 72 -22 .866 90 .434 -38 .822 1 .00 37 .64 B

ATOM 3069 CB TRP B 72 -24 .121 90 .612 -39 .682 1 .00" 39 .60 B

ATOM 3070 CG TRP B 72 -25 .313 91 .141 -38 .944 1 .00 42 .57 B

ATOM 3071 CD2 TRP B 72 -26 .216 90 .390 -38 .125 1 .00 43 .29 B

ATOM 3072 CE2 TRP B 72 -27 .194 91 .290 -37 .647 1 .00 43 .96 B

ATOM 3073 CE3 TRP B 72 -26 .293 89 .043 -37 .747 1 .00 44 .41 B

ATOM 3074 CD1 TRP B 72 -25 .764 92 .432 -38 .929 1 .00 42 .88 B

ATOM 3075 NE1 TRP B 72 -26 .895 92 .528 -38 .153 1 .00 45 .22 B

ATOM 3076 CZ2 TRP B 72 -28 .241 90 .886 -36 .812 1 .00 45 .31 B

ATOM 3077 CZ3 TRP B 72 -27 .335 88 .639 -36 .914 1 .00 45 .41 B

ATOM 3078 CH2 TRP B 72 -28 .294 89 .561 -36 .458 1 .00 45 .44 B

ATOM 3079 C TRP B 72 -22 .546 91 .724 -38 .075 1 .00 37 .17 B

ATOM 3080 O TRP B 72 -22 .790 91 .835 -36 .875 1 .00 35 .47 B

ATOM 3081 N ASP B 73 -21 .982 92 .689 -38 .791 1 .00 36 • 55 B

ATOM 3082 CA ASP B 73 -21 .618 93 .972 -38 .203 1 .00 35 .63 B

ATOM 3083 CB ASP B 73 -20. .495 94 .612 -39 .021 1, .00 37 .62 B

ATOM 3084 CG ASP B 73 -19 .985 95 .899 -38 .407 1, .00 40 .72 B

ATOM 3085 ODl ASP B 73 -20 .813 96 .722 -37, .962 1, .00 40 .44 B

ATOM 3086 OD2 ASP B 73 -18 .750 96 .092 -38 .384 1 .00 43 .91 B

ATOM 3087 C ASP B 73 -22 .823 94 .901 -38 .196 1, .00 34 .07 B

ATOM 3088 O ASP B 73 -23. .341 95 .253 -39, .255 1, .00 33 .87 B

ATOM 3089 N ASP B 74 -23. .270 95, .303 -37, .011 1. .00 33, .84 B

ATOM 3090 CA ASP B 74 -24. .413 96. .205 -36, .917 1. .00 34, .17 B

ATOM ^' 3091 CB ASP B 74 -25. .553 95. .548 -36, .135 1. .00 36, .67 B

ATOM 3092 CG ASP B 74 -26. .860 96. .304 -36. .271 1. .00 38. .64 B

ATOM 3093 ODl ASP B 74 -27. .205 96. .684 -37. .410 1. ,00 42. .09 B

ATOM 3094 OD2 ASP B 74 -27. .546 96. .516 -35. .249 1. ,00 41. .01 B

ATOM 3095 C ASP B 74 -24. .012 97. .520 -36. ,249 1. .00 35. .07 B

ATOM 3096 O ASP B 74 -24. .820 98. .168 -35. .586 1. .00 35. .34 B

ATOM 3097 N THR B 75 -22. ,756 97. .907 -36. .443 1. ,00 34^'. .43 B

ATOM 3098 CA THR B 75 -22. ,225 99. ,138 -35. ,868 1. ,00 33. .73 B

ATOM 3099 CB THR B 75 -20. ,758 99. ,354 -36. ,292 1. 00 33. .34 B

ATOM 3100 OGl THR B 75 -19. 989 98. 189 -35. 963 1. 00 30. .01 B

ATOM 3101 CG2 THR B 75 -20. 168 100. 567 -35. 573 1. 00 31. .88 B

ATOM 3102 C THR B 75 -23. 028 100. 360 -36. 301 1. 00 34. 46 B

ATOM 3103 O THR B 75 -23. 162 100. ,640 -37. 491 1. 00 33. ,49 B

ATOM 3104 N PRO B 76 -23. 573 101. 111 -35. 332 1. 00 35. ,90 B

ATOM 3105 CD PRO B 76 -23. 630 100. 835 -33. 886 1. 00 35. 84 B

ATOM 3106 CA PRO B 76 -24. 354 102. 302 -35. 6.68 1. 00 36. 50 B

ATOM 3107 CB PRO B 76 -24. 768 102. 837 -34. 298 1. 00 37. 32 B

ATOM 3108 CG PRO B 76 -24. 862 101. 606 -33. 466 1. 00 37. 05 B

ATOM 3109 C PRO B 76 -23. 507 103. 311 -36. 440 1. 00 38. 43 B

ATOM 3110 O PRO B 76 -22. 280 103. 328 -36. 311 1. 00. 36. 40 B

ATOM 3111 N GLU B 77 -24. 157 104. 145 -37. 246 1. 00 38. 96 B

ATOM 3112 CA GLU B 77 -23. 438 105. 162 -38. ooo 1. 00 41. 62 B

ATOM 3113 CB GLU B 77 -24. 354 105. 825 -39. 034 1. 00 45. 88 B

ATOM 3114 CG GLU B 77 -24. 727 104. 934 -40. 209 1. 00 52. 07 B

ATOM 3115 CD GLU B 77 -25. 602 105. 646 -41. 223 1.oo 56. 17 B

ATOM 3116 OE1 GLU B 77 -26. 735 106. 037 -40. 864 1.oo 58. 50 B

ATOM 3117 OE2 GLU B 77 -25. 156 105. 816 -42. 379 1. 00 58. 54 B

ATOM 3118 C GLU B 77 -22. 939 106. 213 -37. 013 1. 00 40. 13 B

ATOM 3119 O GLU B 77 -23. 664 106. 604 -36. 100 1. 00 40. 64 B

ATOM 3120 N GLY B 78 -21. 702 106. 660 -37. 194 1.oo 39. 46 B

ATOM 3121 CA GLY B 78 -21. 140 107. 662 -36. 305 1. oo 37. 35 B

ATOM 3122 C GLY B 78 -20. 756 107. 113 -34. 944 1. 00 36. 84 B

ATOM 3123 O GLY B 78 -20. 473 107. 876 -34. 018 1. 00 36. 92 B ATOM 3124 N PHE B 79 -20.733 105.789 -34.819 1.00 34.88 B

ATOM 3125 CA PHE B 79 -20 .390 105 .151 -33 .554 1 .00 32 .77 B

ATOM 3126 CB PHE B 79 -20 .674 103 .651 -33 .615 1 .00 33 .33 B

ATOM 3127 CG PHE B 79 -20 . 960 103 .036 -32 .275 1 .00 33 .40 B

ATOM 3128 CD1 PHE B 79 -22 .092 103 .409 -31 .557 1 .00 33 .19 B

ATOM 3129 CD2 PHE B 79 -20 .116 102 .072 -31 .740 1 .00 32 .22 B

ATOM 3130 CEl PHE B 79 -22 .379 102 .829 -30 .328 1 .00 34 .53 B

ATOM 3131 CE2 PHE B 79 -20 .395 101 .485 -30 .511 1 .00 33 .52 . B

ATOM 3132 CZ PHE B 79 -21 .530 101 .863 -29 .804 1 .00 34 .66 B

ATOM 3133 C PHE B 79 -18 .928 105 .361 -33 .181 1 .00 31 .53 B

ATOM 3134 O PHE B 79 -18 .556 105 .221 -32 .013 1 .00 30 .96 B

ATOM 3135 N GLY B 80 -18 .106 105 .690 -34 .174 1 .00 29 .32 B

ATOM 3136 CA GLY B 80 -16 .692 105 .913 -33 .925 1 .00 29 .56 B

ATOM 3137 C GLY B 80 -16 .453 107 .109 -33 .020 1 .00 29 .07 B

ATOM 3138 O , GLY B 80 , _₁₅ .623 107 .053 -32 .111 1 .00 30 .54 B

ATOM 3139 N ARG B 81 -17 .175 108 .195 -33 .278 1 .00 28 .47 B

ATOM 3140 CA ARG B 81 -17 .050 109 .408 -32 .475 1 .00 29 .65 B

ATOM 3141 CB ARG B 81 -17 .790 no .565 -33 .153 1 .00 30 .08 B

ATOM 3142 CG ARG B 81 -17 .825 111 .864 -32 .337 1 .00 31 .33 B

ATOM 3143 CD ARG B 81 -16 .428 112 .312 -31 .897 1 .00 30 .52 B

ATOM 3144 NE ARG B 81 -16 .475 113 .531 -31 .087 1 .00 31 .74 B

ATOM 3145 CZ ARG B 81 -15 .419 114 .072 -30 .487 1 .00 33 .73 B

ATOM 3146 NHl ARG B 81 -14 .225 113 .505 -30 .604 1, .00 30 .76 B

ATOM 3147 NH2 ARG B 81 -15 .555 115 .180 -29 .764 1, .00 32 .05 B

ATOM 3148 C ARG B 81 -17 .614 109 .157 -31 .077 1, .00 30, .44 B

ATOM 3149 O ARG B 81 -17 .068 109 .628 -30. .081 1, .00 28 .66 B

ATOM 3150 N ILE B 82 -18 .705 108 .403 -31 .003 1, .00 30 .45 B

ATOM 3151 CA ILE B 82 -19 .304 108 .079 -29. .713 1. .00 31, .36 B

ATOM 3152 CB ILE B 82 -20 .614 107, .279 -29, .893 1. .00 33, .95 B

ATOM 3153 CG2 ILE B 82 -21. .118 106, .778 -28, .547 1. .00 34, .63 B

ATOM 3154 CGI ILE B 82 -21. .661 108, .167 -30, .568 1. ,00 35. .30 B

ATOM 3155 CD1 ILE B 82 -22. .984 107. .482 -30. .824 1. ,00 38. ,72 B

ATOM 3156 C ILE B 82 -18, .306 107, .262 -28. .895 1. .00 30, .81 B

ATOM 3157 O ILE B 82 -18, .159 107, .467 -27. .689 1. .00 30. .22 B

ATOM 3158 N ALA B 83 -17. .611 106. .343 -29. .560 1. ,oo 28. .99 B

ATOM 3159 CA ALA B 83 -16. .618 105. .511 -28. .894 1. ,00 28. .20 B

ATOM 3160 CB ALA B 83 -16. ,090 104. .447 -29. ,861 1. 00 28. .95 B

ATOM 3161 C ALA B 83 -15. ,464 106. ,372 -28. ,393 1. 00 27. ,31 B

ATOM 3162 O ALA B 83 -14. ,950 106. ,160 -27. 293 1. 00 27. ,96 B

ATOM 3163 N ALA B 84 -15. ,068 107. .348 -29. ,203 1. 00 26. ,58 B

ATOM 3164 CA ALA B 84 -13. ,969 108. .240 -28. ,852 1. oo 26. ,88 B-

ATOM 3165 CB ALA B 84 -13. ,683 109. ,193 -30. 011 1. oo 25. ,96 B

ATOM 3166 C ALA B 84 -14. ,290 109. ,034 -27. 585 1. oo 28. 51 B

ATOM 3167 O ALA B 84 -13. 493 109. ,075 -26. 645 1. oo 28. 19 B

ATOM -3168 N THR B 85 -15. 460 109. 659 -27. 562 1. 00 28. 14 B

ATOM 3169 CA THR B 85 ^■ -15. 860 no. 459 -26. 411 1. 00 30. 23 B

ATOM 3170 CB THR B 85 -17. 113 111. 287 -26. 726 1. 00 30. 60 B

ATOM 3171 OGl THR B 85 -18. 199 no. 411 -27. 034 1. 00 37. 60 B

ATOM 3172 CG2 THR B 85 -16. 859 112. 197 -27. 915 1. 00 30. 11 B

ATOM 3173 C THR B 85 -16. 119 109. 608 -25. 169 1. 00 29. 72 B

ATOM 3174 O THR B 85 -15. 775 no. 010 -24. 056 1. 00 29. 11 B

ATOM 3175 N THR B 86 -16. 711 108. 430 -25. 352 1. 00 29. 10 B

ATOM 3176 CA THR B 86 -16. 991 107. 549 -24. 220 1. 00 29. 68 B

ATOM 3177 CB THR B 86 -17. 784 106. 297 -24. 656 I: 00 31. 65 B

ATOM 3178 OGl THR B 86 -19. 081 106. 695 -25. 112 1. 00 33. 98 B

ATOM 3179 CG2 THR B 86 -17. 942 105. 325 -23. 485 1. 00 30. 80 B

ATOM 3180 C THR B 86 -15. 695 107. 098 -23. 554 1. 00 29. 95 B

ATOM 3181 O THR B 86 -15. 564 107. 132 -22. 325 1. oo 28. 62 B

ATOM 3182 N ALA B 87 -14. 736 106. 678 -24. 373 1. oo 29. 17 B

ATOM 3183 CA ALA B 87 -13. 453 106. 231 -23. 859 1. oo 28. 69 B

ATOM 3184 CB ALA B 87 -12. 604 105. 660 -24. 990 n 00 30. 11 B ATOM 3185 C ALA B 87 -12.727 107.397 -23.186 1.00 29.24 B

ATOM 3186 O ALA B 87 -12 .100 107 .220 -22 .147 1 .00 28 .88 B

ATOM 3187 N ARG B 88 -12 .811 108 .589 -23 .774 1 .00 30 .30 B

ATOM 3188 CA ARG B 88 -12 .139 109 .749 -23 .190 1 .00 31 .83 B

ATOM 3189 CB ARG B 88 -12 .295 110 .982 -24 .081 1 .00 32 .66 B

ATOM 3190 CG ARG B 88 -11 .512 112 .185 -23 .571 1 .00 35 .59 B

ATOM 3191 CD ARG B 88 -12 .381 113 .416 -23 .517 1 .00 41 .88 B

ATOM 3192 NE ARG B 88 -12 .841 113 .806 -24 .844 1 .00 46 .30 B

ATOM 3193 CZ ARG B 88 -13 .838 114 .656 -25 .065 1 .00 49 .98 B

ATOM 3194 NHl ARG B 88 -14 .481 115 .203 -24 .042 1 .00 51 .71 B

ATOM 3195 NH2 ARG B 88 -14 .188 114 .962 -26 .306 1 .00 51 .48 B

ATOM 3196 C ARG B 88 -12 .698 110 .059 -21 .804 1 .00 32 .05 B

ATOM 3197 0 ARG B 88 -11 .949 110 .297 -20 .858 1 .00 31 .96 B

ATOM 3198 N GLN B 89 -14 .020 110 .062 -21 .692 1 .00 32 .89 B

ATOM 3199 CA GLN B 89 -14 .672 110 .345 -20 .420 1 .00 35 .25 B

ATOM 3200 CB GLN B 89 -16 .189 110 .290 -20 .591 1 .00 38 .85 B

ATOM 3201 CG GLN B 89 -16 .960 111 .102 -19 .569 1 .00 46 .59 B

ATOM 3202 CD GLN B 89 -16 .726 112 .598 -19 .719 1 .00 51 .02 B

ATOM 3203 OE1 GLN B 89 -15 .596 113 .079 -19 .601 1 .00 54 .45 B

ATOM 3204 NE2 GLN B 89 -17 .799 113 .343 -19 .980 1 .00 52 .62 B

ATOM 3205 C GLN B 89 -14 .223 109 .332 -19 .365 1 .00 33 .57 B

ATOM 3206 0 GLN B 89 -13 .855 109 .707 -18 .249 1. .00 32 .82 B

ATOM 3207 N VAL B 90 -14 .237 108 .051 -19 .728 1 .00 31 .57 B

ATOM 3208 CA VAL B 90 -13 .831 106 .982 -18 .817 1 .00 31 .66 B

ATOM 3209 CB VAL B 90 -14 .104 105 .576 -19 .431 1. .00 32 .10 B

ATOM 3210 CGI VAL B 90 -13 .477 104, .493 -18 .567 1, .00 34 .28 B

ATOM 3211 CG2 VAL B 90 -15 .599 105, .342 -19 .557 1, .00 33 .00 B

ATOM 3212 C VAL B 90 -12, .357 107, .036 -18 .417 1, .00 31 .59 B

ATOM 3213 0 VAL B 90 -12, .024 106. .872 -17 .245 1. .00 30. .99 B

ATOM 3214 N MET B 91 -11, .464 107. .258 -19, .376 1. .00 31. .47 B

ATOM 3215 CA MET B 91 -10, ,047 107. .286 -19, .037 1. .00 31. .73 B

ATOM 3216 CB MET B 91 -9. .175 107. .168 -20, .294 1. .00 33. .31 B

ATOM 3217 CG MET B 91 -9. .271 108. .308 -21, .277 1. .00 35, .15 B

ATOM 3218 SD MET B 91 -8. .081 108. ,046 -22, .635 1. .00 36, .56 B

ATOM 3219 CE MET B 91 -9. .115 107. ,145 -23. .818 1. .00 36, .73 B

ATOM 3220 C MET B 91 -9. .637 108. ,513 -18. .228 1. ,oo 31. .36 B

ATOM 3221 0 MET B 91 -8. ,746 108. ,425 -17. .384 1. .00 33. .27 B

ATOM 3222 N LEU B 92 -10. 282 109. 647 -18. ,471 1. oo 31. ,55 B

ATOM 3223 CA LEU B 92 -9. 943 no. 859 -17. .732 1. oo 32. ,32 B

ATOM 3224 CB LEU B 92 -10. 535 112. 098 -18. ,418 1. oo 29. ,45 B

ATOM 3225 CG LEU B 92 -9. 858 112. ,531 -19. .726 1. oo 29. ,65 B

ATOM 3226 CD1 LEU B 92 -10. 551 113. 764 -20. ,288 1. oo 29. ,88 B

ATOM 3227 CD2 LEU B 92 -8. 381 112. 826 -19. ,468 1. oo 27. .68 B

ATOM 3228 C LEU B 92 -10. 454 no. 749 -16. 297 1. oo 35. 08 B

ATOM 3229 0 LEU B 92 -9. 891 111. 344 -15. 378 1. oo 34. 49 B

ATOM 3230 N GLN B 93 -11. 522 109. 980 -16. 115 1. oo 36. 22 B

ATOM 3231 CA GLN B 93 -12. 093 109. 774 -14. 793 1. oo 39. 98 B

ATOM 3232 CB GLN B 93 -13. 452 109. 081 -14. 906 1. oo 41. 79 B

ATOM 3233 CG GLN B 93 -14. 283 109. 132 -13. 633 1. oo 46. 07 B

ATOM 3234 CD GLN B 93 -14. 437 no. 545 -13. 104 1. oo 49. 56 B

ATOM 3235 OE1 GLN B 93 -13. 572 111. 051 -12. 388 1. oo 51. 87 B

ATOM 3236 NE2 GLN B 93 -15. 535 111. 197 -13. 472 1. oo 51. 96 B

ATOM 3237 C GLN B 93 -11. 130 108. 909 -13. 989 1. oo 40. 72 B

ATOM 3238 0 GLN B 93 -10. 781 109. 243 -12. 860 1. oo 41. 03 B

ATOM 3239 N ARG B 94 -10. 694 107. 800 -14. 579 1. oo 42. 84 B

ATOM 3240 CA ARG B 94 -9. 758 106. 907 -13. 907 1. oo 45. 87 B

ATOM 3241 CB ARG B 94 -9. 515 105. 645 -14. 740 1. oo 48. 49 B

ATOM 3242 CG ARG B 94 -10. 339 104. 443 -14. 294 1. oo 54. 21 B

ATOM 3243 CD ARG B 94 -11. 831 104. 678 -14. 486 1. oo 57. 89 B

ATOM 3244 NE ARG B 94 -12. 642 103. 627 -13. 873 1. oo 60. 41 B

ATOM 3245 CZ ARG B 94 -12. 561 102. 336 -14. 181 1. oo 62. 26 B ATOM 3246 NHl ARG B 94 -11.701 101.919 -15.100 1.00 63.24 B

ATOM 3247 NH2 ARG B 94 -13 .345 101 .459 -13 .568 1 .00 63 .47 B

ATOM 3248 C ARG B 94 -8 .428 107 .600 -13 .634 1 .00 46 .77 B

ATOM 3249 O ARG B 94 -7 .733 107 .265 -12 .675 1 .00 46 .19 B

ATOM 3250 N PHE B 95 -8 .077 108 .565 -14 .478 1 .00 46 .91 B

ATOM 3251 CA PHE B 95 -6 .829 109 .296 -14 .310 1 .00 47 .32 B

ATOM 3252 CB PHE B 95 -6 .589 110 .224 -15 .505 1 .00 45 .46 B

ATOM 3253 CG PHE B 95 -5 .310 111 .010 -15 .414 1 .00 43 .27 B

ATOM 3254 GDI PHE B 95 -4 .101 110 .369 -15 .168 1 .00 43 .19 B

ATOM 3255 CD2 PHE B 95 -5 .314 112 .390 -15 .578 1 .00 42 .64 B

ATOM 3256 CEl PHE B 95 -2 .912 111 .090 -15 .082 1 .00 42 .59 B

ATOM 3257 CE2 PHE B 95 -4 .129 113 .122 -15 .495 1 .00 43 .73 B

ATOM 3258 CZ PHE B 95 -2 .926 112 .469 -15 .248 1 .00 41 .51 B

ATOM 3259 C PHE B 95 -6 .838 110 .106 -13 .014 1 .00 48 .87 B

ATOM 3260 O PHE B 95 -5 .857 110 .115 -12 .276 1 .00 49 .12 B

ATOM 3261 N ARG B 96 -7 .951 110 .776 -12 .736 1. .00 51 .84 B

ATOM 3262 CA ARG B 96 -8 .066 111 .575 -11 .522 1 .00 55 .54 B

ATOM 3263 CB ARG B 96 -9 .413 112 .296 -11 .487 1 .00 53 .55 B

ATOM 3264 CG ARG B 96 -9 .675 113 .121 -12 .721 1 .00 50 .69 B

ATOM 3265 CD ARG B 96 -10 .950 113 .941 -12 .634 1 .00 46 .79 B

ATOM 3266 NE ARG B 96 -11 .130 114, .673 -13 .883 1, .00 44 .41 B

ATOM 3267 CZ ARG B 96 -11 .927 114, .293 -14 .877 1, .00 42 .09 B

ATOM 3268 NHl ARG B 96 -12 .651 113, .186 -14 .772 1, .00 39 .07 B

ATOM 3269 NH2 ARG B 96 -11 .964 115, .000 -15, .998 1, .00 38 .44 B

ATOM 3270 C ARG B 96 -7 .926 110, .713 -10, .274 1. .00 59 .34 B

ATOM 3271 O ARG B 96 -6 .952 110, .833 -9, .528 1. .00 60 .44 B

ATOM 3272 N ASP B 97 -8, .899 109. .837 -10, .055 1. .00 63 .74 B

ATOM 3273 CA ASP B 97 -8, .893 108. .969 -8, .884 1. .00 67. .97 B

ATOM 3274 CB ASP B 97 -10, .127 108. .062 -8, .901 1. .00 69. .78 B

ATOM 3275 CG ASP B 97 -10, .381 107. .395 -7, .558 1. .00 72. .62 B

ATOM 3276 ODl ASP B 97 -9, .585 106. .517 -7. .161 1. .00 73. .39 B

ATOM 3277 OD2 ASP B 97 -11, .379 107. .758 -6. ,894 1. .00 73. .65 B

ATOM 3278 C ASP B 97 -7, ,625 108. ,125 -8. .793 1. .00 70. .28 B

ATOM 3279 O ASP B 97 -7. .021 107. ,774 -9. .807 1. ,oo 70. ,53 B

ATOM 3280 N ALA B 98 -7. ,226 107. ,811 -7. .565 1. ,oo 73. .05 B

ATOM 3281 CA ALA B 98 -6. .034 107. ,009 -7. .318 1. .00 75. .68 B

ATOM 3282 CB ALA B 98 -4. .836 107. ,918 -7. .066 1. oo 75. ,76 B

ATOM 3283 C ALA B 98 -6. ,257 106. 092 -6. ,118 1. oo 77. ,65 B

ATOM 3284 O ALA B 98 -5. ,424 105. 236 -5. ,815 1. oo 78. ,14 B

ATOM 3285 N GLU B 99 -7. ,386 106. 276 -5. 439 1. oo 79. ,45 B

ATOM 3286 CA GLU B 99 -7. ,722 105. 470 -4. ,269 1. 00 80. ,98 B

ATOM 3287 CB GLU B 99 -9. 014 105. 993 -3. 628 1. 00 81. ,89 B

ATOM 3288 CG GLU B 99 -9. ,290 105. 462 -2. 224 1. 00 83. ,55 B

ATOM 3289 CD GLU B 99 -9. 609 103. 979 -2. 196 1. 00 84. 50 B

ATOM 3290 OE1 GLU B 99 -10. 639 103. 578 -2. 779 1. 00 85. ,32 B

ATOM 3291 OE2 GLU B 99 -8. 830 103. 215 -1. 588 1. 00 85. 10 B

ATOM 3292 C GLU B 99 -7. 891 104. 006 -4. 662 1. 00 81. 15 B

ATOM 3293 O GLU B 99 -8. 111 103. 688 -5. 831 1. 00 81. 70 B

ATOM 3294 N SER B 108 -1. 491 93. 330 -1. 318 1. 00 45. 63 B

ATOM 3295 CA SER B 108 -o. 162 93. 451 -o. 732 1. 00 45. 08 B

ATOM 3296 CB SER B 108 -o. 111 94. 640 o. 231 1. 00 48. 53 B

ATOM 3297 OG SER B 108 -o. 429 95. 854 -o. 435 1. oo 54. 50 B

ATOM 3298 C SER B 108 o. 239 92. 176 o. 007 1. oo 42. 68 B

ATOM 3299 O SER B 108 1. 418 91. 972 o. 300 1. oo 43. 21 B

ATOM 3300 N THR B 109 -o. 737 91. 325 o. 315 1. oo 38. 59 B

ATOM 3301 CA THR B 109 -o. 454 90. 070 1. 006 1. oo 34. 93 B

ATOM 3302 CB THR B 109 -1. 752 89. 279 1. 304 1. oo 33. 68 B

ATOM 3303 OGl THR B 109 -2. 634 90. 082 2. 093 1. oo 35. 28 B

ATOM 3304 CG2 THR B 109 -1. 439 87. 994 2. 069 1. oo 34. 06 B

ATOM 3305 C THR B 109 o. 434 89. 226 o. 101 1. oo 34. 02 B

ATOM 3306 O THR B 109 o. 186 89. 129 -1. 100 1. oo 32. 92 B ill

ATOM 3307 N ARG B 110 1 .471 88 .621 o .669 1 .00 32 .33 B

ATOM 3308 CA ARG B no 2 .370 87 .793 -o .122 1 .00 32 .87 B

ATOM 3309 CB ARG B no 3 .700 88 .520 -o .343 1 .00 35 .08 B

ATOM 3310 CG ARG B no 3 .584 89 .768 -1 .206 1 .00 42 .24 B

ATOM 3311 CD ARG B no 4 .948 90 .254 -1 .680 1 .00 46 .47 B

ATOM 3312 NE ARG B no 5 .648 89 .230 -2 .452 1 .00 51 .96 B

ATOM 3313 CZ ARG B no 6 .768 89 .437 -3 .140 1 .00 53 .50 B

ATOM 3314 NHl ARG B no 7 .328 90 .640 -3 .163 1 .00 54 .12 B

ATOM 3315 NH2 ARG B no 7 .331 88 .437 -3 .803 1 .00 54 .69 B

ATOM 3316 C ARG B no 2 .632 86 .426 o .503 1 .00 31 .95 B

ATOM 3317 O ARG B no 2 .510 86 .247 1 .714 1 .00 29 .84 B

ATOM 3318 N GLU B 111 2 .979 85 .458 -o .337 1 .00 30 .82 B

ATOM 3319 CA GLU B 111 3 .277 84 .115 o .138 1 .00 31 .63 B

ATOM 3320 CB GLU B 111 3 .618 83 .202 -1 .042 1 .00 34 .37 B

ATOM 3321 CG GLU B 111 2 .454 82 .912 -1 .961 1 .00 38 .64 B

ATOM 3322 CD GLU B 111 2 .894 82 .234 -3 .243 1 .00 41 .79 B

ATOM 3323 OE1 GLU B 111 3 .856 81 .436 -3 .192 1 .00 43 .72 B

ATOM 3324 OE2 GLU B 111 2 .268 82 .486 -4 .295 1 .00 42 .42 B

ATOM 3325 C- GLU B 111 4 .460 84 .147 1 .099 1 .00 31 .04 B

ATOM 3326 O GLU B 111 5 .410 84 .914 o .908 1 .00 29 .83 B

ATOM 3327 N GLY B 112 4 .394 83 .314 2 .133 1 .00 29 .33 B

ATOM 3328 CA GLY B 112 5 .474 83 .242 3 .099 1 .00 27 .95 B

ATOM 3329 C GLY B 112 5 .294 84 .121 4 .323 1, .00 27 .00 B

ATOM 3330 O GLY B 112 6 .133 84 .120 5 .218 1, .00 26 .49 B

ATOM 3331 N GLU B 113 4 .209 84, .882 4, .365 1. .00 25, .84 B

ATOM 3332 CA GLU B 113 3, .951 85, .752 5, .506 1. .00 27, .12 B

ATOM 3333 CB GLU B 113 3. .310 87. .062 5, .039 1, .00 31, .85 B

ATOM 3334 CG GLU B 113 4, .272 87, .971 4, .290 1. .00 38, .12 B

ATOM 3335 CD GLU B 113 3, .598 89, .196 3, .708 1. .00 44, .62 B

ATOM 3336 OE1 GLU B 113 4, .323 90, .113 3, .257 1. .00 48. .00 B

ATOM 3337 OE2 GLU B 113 2. .346 89. .239 3, .687 1. .00 45. .93 B

ATOM 3338 C GLU B 113 3. .018 85. .073 6, .489 1. .00 24. ,92 B

ATOM 3339 O GLU B 113 2. .338 84. .104 6. .152 1. .00 25. .78 B

ATOM 3340 N ILE B 114 3. .017 85. .559 7. .721 1. .00 24. .45 B

ATOM 3341 CA ILE B 114 2. .1.07 85. .028 8. .718 1. .00 24. .23 B

ATOM 3342 CB ILE B 114 2. .815 84. .737 10. ,066 1. ,00 24. .08 B

ATOM 3343 CG2 ILE B 114 3. .408 86. .011 10. ,642 1. ,00 25. ,97 B

ATOM 3344 CGI ILE B 114 1. .816 84. ,098 11. ,035 1. ,00 24. ,21 B

ATOM 3345 CD1 ILE B 114 2. ,446 83. ,588 12. ,324 1. ,00 28. ,59 B

ATOM 3346 C ILE B 114 1. ,082 86. ,145 8. ,866 1. ,00 25. ,53 B

ATOM 3347 O ILE B 114 1. ,443 87. 323 8. ,852 1. ,00 27. ,56 B

ATOM 3348 N VAL B 115 -o. ,191 85. 780 8. ,955 1. 00 23. 86 B

ATOM 3349 CA VAL B 115 -1. ,256 86. 762 9. ,087 1. ,00 23. ,56 B

ATOM 3350 CB VAL B 115 -2. ,062 86. 915 7. ,764 1. 00 23. 28 B

ATOM 3351 CGI VAL B 115 -1. 157 87. 460 6. 664 1. oo 26. 31 B

ATOM 3352 CG2 VAL B 115 -2. 659 85. 578 ' 7. 343 1. oo 22. 98 B

ATOM 3353 C VAL B 115 -2. 220 86. 342 10. 187 1. oo 23. 85 B

ATOM 3354 O VAL B 115 -2. 286 85. 168 10. 549 1. oo 25. 49 B

ATOM 3355 N ALA B 116 -2. 945 87. 309 10. 735 1. oo 20. 45 B

ATOM 3356 CA ALA B 116 -3. 933 87. 022 11. 766 1. oo 19. 70 B

ATOM 3357 CB ALA B 116 -3. 684 87. 883 13. 003 1. oo 20. 48 B

ATOM 3358 C ALA B 116 -5. 280 87. 367 11. 154 1. oo 19. 59 B

ATOM 3359 O ALA B 116 -5. 353 88. 159 10. 217 1. oo 22. 05 B

ATOM 3360' N GLY B 117 -6. 348 86. 783 11. 672 1. oo 20. 42 B

ATOM 3361 CA GLY B 117 -7. 645 87. 090 11. 102 1. oo 20. 35 B

ATOM 3362 C GLY B 117 -8. 755 86. 472 11. 913 1. oo 19. 79 B

ATOM 3363 O GLY B 117 -8. 509 85. 784 12. 895 1. oo 20. 81 B

ATOM 3364 N VAL B 118 -9. 987 86. 719 11. 497 1. oo 21. 40 B

ATOM 3365 CA VAL B 118 -11. 135 86. 173 12. 197 1. oo 22. 72 B

ATOM 3366 CB VAL B 118 -11. 994 87. 299 12. 799 1. oo 24. 88 ^• B

ATOM 3367 CGI VAL B 118 -13. 217 86. 713 13. 469 1. oo 25. 41 B ATOM 3368 CG2 VAL B 118 -11.166 88.102 13.794 1.00 27.90 B

ATOM 3369 C VAL B 118 -11 .976 85 .358 11 .229 1 .00 23 .22 B

ATOM 3370 O VAL B 118 -12 .309 85 .819 10 .139 1 .00 24 .03 B

ATOM 3371 N ILE B 119 -12 .313 84 .139 11 .637 1 .00 24 .33 B

ATOM 3372 CA ILE B 119 -13 .107 83 .250 10 .803 1 .00 25 .36 B

ATOM 3373 CB ILE B 119 -13 .234 81 .862 11 .452 1 .00 24 .61 B

ATOM 3374 CG2 ILE B 119 -14 .136 80 .972 10 .614 1 .00 24 .68 B

ATOM 3375 CGI ILE B 119 -11 .840 81 .233 11 .594 1 .00 25 .15 B

ATOM 3376 CD1 ILE B 119 -11 .846 79 .867 12 .244 1 .00 24 .88 B

ATOM 3377 C ILE B 119 -14 .497 83 .807 10 .525 1 .00 26 .58 B

ATOM 3378 O ILE B 119 -15 .207 84 .221 11 .439 1 .00 26 .71 B

ATOM 3379 N GLN B 120 -14 .871 83 .801 9 .252 1 .00 28 .11 B

ATOM 3380 CA GLN B 120 -16 .166 84 .307 8 .807 1 .00 33 .20 B

ATOM 3381 CB GLN B 120 -15 .973 85 .229 7 .602 1 .00 32 .10 B

ATOM 3382 CG GLN B 120 -14 .944 86 .335 7 .794 1 .00 34 .48 B

ATOM 3383 CD GLN B 120 -15 .356 87 .346 8 .845 1 .00 35 .00 B

ATOM 3384 OE1 GLN B 120 -14 .757 87 .426 9 .927 1 .00 35 .58 B

ATOM 3385 NE2 GLN B 120 -16 .381 88 .128 8 .536 1 .00 35 .00 B

ATOM 3386 C GLN B 120 -17 .106 83 .167 8 .408 1 .00 35 .80 B

ATOM 3387 O GLN B 120 -16 .670 82 .139 7 .892 1 .00 35 .22 B

ATOM 3388 N ARG B 121 -18 .400 83 .356 8 .641 1. .00 39 .17 B

ATOM 3389 CA ARG B 121 -19 .383 82 .343 8 .273 1, .00 42 .88 B

ATOM 3390 CB ARG B 121 -20. .714 82 .606 8 .984 1, .00 45 .79 B

ATOM 3391 CG ARG B 121 -21. .273 83 .999 8, .744 1. .00 51 .34 B

ATOM 3392 CD ARG B 121 -22 .678 84 .181 9, .318 1. .00 56 .25 B

ATOM 3393 NE ARG B 121 -22 .746 83 .961 10, .762 1. .00 59 .70 B

ATOM 3394 -CZ ARG B 121 -22 .840 82 .766 11 .338 1. .00 61 .11 B

ATOM 3395 NHl ARG B 121 -22 .881 81 .667 10 .596 1. .00 61 .58 B

ATOM 3396 NH2 ARG B 121 -22 .899 82 .671 12, .659 1. .00 62 .72 B

ATOM 3397 C ARG B 121 -19. .596 82 .375 6, .762 1. .00 42. .59 B

ATOM 3398 O ARG B 121 -19, .721 83 .447 6, .170 1. .00 41, .66 B

ATOM 3399 N ASP B 122 -19, .617 81, .197 6. ,140 1. .00 43. .89 B

ATOM 3400 CA ASP B 122 -19. .838 81. .083 4. .699 1. .00 45, .02 B

ATOM 3401 CB ASP B 122 -18. .567 81. ,442 3. .925 1. ,oo 46. .38 B

ATOM 3402 CG ASP B 122 -18. .817 81. ,603 2. .432 1. ,oo 48. .84 B

ATOM 3403 ODl ASP B 122 -19. ,468 80. ,724 1. .835 1. .00 49. .42 B

ATOM 3404 OD2 ASP B 122 -18. ,356 82. ,611 1. ,853 1. 00 50. ,51 B

ATOM 3405 C ASP B 122 -20. ,255 79. ,647 4. 376 1. oo 45. ,41 B

ATOM 3406 O ASP B 122 -19. 441 78. ,836 3. 939 1. 00 44. ,72 B

ATOM 3407 N SER B 123 -21. 534 79. ,350 4. 591 1. oo 45. ,95 B

ATOM 3408 CA SER B 123 -22. 089 78. 018 4. 357 1. oo 45. 89 B

ATOM 3409 CB SER B 123 -23. 617 78. 073 4. 455 1. oo 48. 45 B

ATOM 3410 OG SER B 123 -24. 024 78. 500 5. 743 1. oo 50. 97 B

ATOM 3411 C SER B 123 -21. 692 77. 349 3. 041 1. oo 43. 98 B

ATOM 3412 O SER B 123 -21. 365 76. 164 3. 020 1. oo 44. 30 B

ATOM 3413 N ARG B 124 -21. 725 78. 096 1. 945 1. oo 42. 59 B

ATOM 3414 CA ARG B 124 -21. 371 77. 534 o. 647 1. oo 42. 94 B

ATOM 3415 CB ARG B 124 -21. 650 78. 555 -o. 452 1. oo 46. 43 B

ATOM 3416 CG ARG B 124 -23. 133 78. 808 -o. 662 1. oo 51. 13 B

ATOM 3417 CD ARG B 124 -23. 360 80. 153 -1. 312 1. oo 55. 30 B

ATOM 3418 NE ARG B 124 -22. 813 81. 228 -o. 490 1. oo 58. 44 B

ATOM 3419 CZ ARG B 124 -22. 852 82. 515 -o. 818 1. oo 60. 28 B

ATOM 3420 NHl ARG B 124 -23. 417 82. 894 -1. 957 1. oo 60. 43 B

ATOM 3421 NH2 ARG B 124 -22. 320 83. 423 -o. 011 1. oo 62. 07 B

ATOM ^' 3422 C ARG B 124 -19. 916 77. 079 o. 592 1. oo 41. 17 B

ATOM 3423 O ARG B 124 -19. 619 75. 975 o. 127 1. oo 39. 90 B

ATOM 3424 N ALA B 125 -19. 011 77. 930 1. 063 1. oo 38. 56 B

ATOM 3425 CA ALA B 125 -17. 594 77. 591 1. 072 1. oo 36. 40 B

ATOM 3426 CB ALA B 125 -16. 766 78. 817 1. 447 1. oo 37. 93 B

ATOM 3427 C ALA B 125 -17. 352 76. 465 2. 073 1. oo 34. 31 B

ATOM 3428 O ALA B 125 -16. 634 75. 507 1. 784 1. oo 32. 83 B ATOM 3429 N ASN B 126 -17.963 76.584 3.247 1.00 33.28 B

ATOM 3430 CA ASN B 126 -17 .813 75 .587 4 .298 1 .00 36 .19 B

ATOM 3431 CB ASN B 126 -18 .605 76 .008 5 .539 1 .00 36 .52 B

ATOM 3432 CG ASN B 126 -18 .094 77 .304 6 .150 1 .00 39 .47 B

ATOM 3433 ODl ASN B 126 -18 .766 77 .910 6 .984 1 .00 40 .27 B

ATOM 3434 ND2 ASN B 126 -16 .899 77 .729 5 .746 1 .00 35 .96 B

ATOM 3435 C ASN B 126 -18 .283 74 .212 3 .833 1 .00 37 .44 B

ATOM 3436 O ASN B 126 -17 .698 73 .190 4 .198 1 .00 37 .34 B

ATOM 3437 N ALA B 127 -19 .341. 74 .194 3 .027 1 .00 37 .78 B

ATOM 3438 CA ALA B 127 -19 .891 72 .944 .2 .512 1 .00 38 .75 B

ATOM 3439 CB ALA B 127 -21 .242 73 .202 1 .846 1 .00 39 .93 B

ATOM 3440 C ALA B 127 -18 .939 72 .296 1 .516 1 .00 37 .98 B

ATOM 3441 O ALA B 127 -19 .036 71 .097 1 .247 1 .00 39 .38 B

ATOM. 3442 N ARG B 128 -18 .034 73 .097 0 .961 1 .00 35 .73 B

ATOM 3443 CA ARG B 128 -17 .056 72 .606 -o .004 1 .00 35 .30 B

ATOM 3444 CB ARG B 128 -16 .764 73 .667 -1 .068 1 .00 36 .45 B

ATOM 3445 CG ARG B 128 -17 .957 74 .102 -1 .911 1 .00 41 .45 - B

ATOM 3446 CD ARG B 128 -18 .427 73 .009 -2 .852 1 .00 41 .54 B

ATOM 3447 NE ARG B 128 -19 .341 73 .529 -3 .869 1 .00 43 .24 B

ATOM 3448 CZ ARG B 128 -19 .976 72 .776 -4 .761 1 .00 43 .00 B

ATOM 3449 NHl ARG B 128 -19 .805 71 .461 -4 .765 1 .00 43 .51 B

ATOM 3450 NH2 ARG B 128 -20 .776 73 .336. -5 .656 1 .00 42 .05 B

ATOM 3451 C ARG B 128 -15 .754 72 .239 o .710 1 .00 33 .24 B

ATOM 3452 O ARG B 128 -14 .775 71, .870 o .070 1 .00 32 .79 B

ATOM 3453 N GLY B 129 -15. .755 72, .362 2 .034 1, .00 31 .99 B

ATOM 3454 CA GLY B 129 -14, .585 72, .024 2 .828 1, .00 33 .40 B

ATOM 3455 C GLY B 129 -13, .633 73, .174 3, .112 1, .00 33 .98 B

ATOM 3456 O GLY B 129 -12, .527 72, .953 3, .610 1. .00 35, .32 B

ATOM 3457 N LEU B 130 -14, .054 74. ,399 2, .819 1, .00 30, .04 B

ATOM 3458. CA LEU B 130 -13, .196 75, .559 3, .034 1, .00 28 .24 B

ATOM 3459 CB LEU B 130 -13. .229 76, .475 1, .810 1, .00 28 .78 B

ATOM 3460 CG LEU B 130 -12. .988 75. .896 o, .411 1. .00 28, .71 B

ATOM 3461 GDI LEU B 130 -13. .142 77. .012 -0, .611 1. .00 30, .10 B

ATOM 3462 CD2 LEU B 130 -11. .594 75. .279 0. .318 1. .00 28, .28 B

ATOM 3463 C LEU B 130 -13. .563 76. ,399 4. .253 1. .00 28. .53 B

ATOM 3464 O LEU B 130 -14. .727 76. ,481 4. .644 1. ,00 29. .37 B

ATOM 3465 N VAL B 131 -12. ,551 77. 024 4. .846 1. ,00 25. .54 B

ATOM 3466 CA VAL B 131 -12. ,760 77. 916 5. .978 1. ,oo 24. .38 B

ATOM 3467 CB VAL B 131 -11. 863 77. 537 7. ,186 1. ,00 24. ,02 B

ATOM 3468 CGI VAL B 131 -11. 885 78. 650 8. ,237 1. 00 25. ,34 B

ATOM 3469 CG2 VAL B 131 -12. 368 76. 242 7. ,812 1. 00 23. ,28 B

ATOM 3470 C VAL B 131 -12. 385 79. 283 5. 421 1. oo 24. ,94 B

ATOM 3471 O VAL B 131 -11. 350 79. 435 4. 761 1. oo 22. ,96 B

ATOM 3472 N VAL B 132 -13. 243 80. 270 5. ,654 ' 1. 00 25. ,04 B

ATOM 3473 CA VAL B 132 -13. 007 81. 615 5. 150 1. 00 23. ,93 B

ATOM 3474 CB VAL B 132 -14. 286 82. 181 4. 477 1. oo 24. 21 B

ATOM 3475 CGI VAL B 132 -14. 037 83. 607 3. 992 1. oo 25. 32 B

ATOM 3476 CG2 VAL B 132 -14. 680 81. 298 3. 289 1. oo 26. 00 B

ATOM 3477 C VAL B 132 -12. 575 82. 514 6. 292 1. 00 23. 25 B

ATOM 3478 O VAL B 132 -13. 184 82. 506 7. 363 1. 00 22. 89 B

ATOM 3479 N VAL B 133 -11. 518 83. 285 6. 061 1. oo 23. 35 B

ATOM 3480 CA VAL B 133 -10. 984 84. 164 7. 098 1. oo 23. 60 B

ATOM 3481 CB VAL B 133 -9. 614 83. 633 7. 607 1. oo 22. 25 B

ATOM 3482 CGI VAL B 133 -9. 191 84. 375 8. 868 1. oo 22. 60 B

ATOM 3483 CG2 VAL B 133 -9. 703 82. 132 7. 879 1. oo 23. 14 B

ATOM 3484 C VAL B 133 -10. 776 85. 594 6. 613 1. 00 22. 11 B

ATOM 3485 O VAL B 133 -10. 237 85. 814 5. 534 1. 00 24. 94 B

ATOM 3486 N ARG B 134 -11. 211 86. 563 7. 414 1. oo 25. 65 B

ATOM 3487 CA ARG B 134 -10. 994 87. 972 7. 090 1. oo 26. 57 B

ATOM 3488 CB ARG B 134 -12. 062 88. 866 7. 721 1. oo 29. 47 B

ATOM 3489 CG ARG B 134 -11. 957 90. 334 7. 297 1. oo 36. 31 B ATOM 3490 CD ARG B 134 -12.139 91.293 8.467 1.00 41.98 B

ATOM 3491 NE ARG B 134 -13 .283 90 .953 9 .308 1 .00 49 .07 B

ATOM 3492 CZ ARG B 134 -13 .701 91 .687 10 .335 1 .00 52 .44 B

ATOM 3493 NHl ARG B 134 -13 .075 92 .811 10 .651 1 .00 56 .19 B

ATOM 3494 NH2 ARG B 134 -14 .741 91 .294 11 .056 1 .00 56 .10 B

ATOM 3495 C ARG B 134 -9 .663 88 .243 7 .775 1 .00 24 .44 B

ATOM 3496 O ARG B 134 -9 .555 88 .072 8 .986 1 .00 24 .75 B

ATOM 3497 N ILE B ^• 135 -8 .660 88 .666 7 .014 1 .00 25 .00 B

ATOM 3498 CA ILE B^" 135 -7 .336 88 .903 7 .585 1 .00 26 .33 B

ATOM 3499 CB ILE B 135 -6 .259 88 .032 6 .892 1 .00 26 .85 B

ATOM 3500 CG2 ILE B 135 -6 .611 86 .555 7 .021 1 .00 26 .81 B

ATOM 3501 CGI ILE B 135 -6 .143 88 .428 5 .420 1 .00 27 .39 B

ATOM 3502 CD1 ILE B 135 -5 .047 87 .699 4 .656 1 .00 28 .41 B

ATOM 3503 C ILE B 135 -6 .875 90 .347 7 .478 1 .00 26 .78 B

ATOM 3504 O ILE B 135 -7 .372 91 .111 6 .653 1 .00 27 .13 B

ATOM 3505 N GLY B 136 -5 .914 90 .707 8 .321 1 .00 26 .67 B

ATOM 3506 CA GLY B 136 -5 .369 92 .049 8 .282 1 .00 28 .30 B

ATOM 3507 C GLY B 136 -4 .274 92 .083 7 .235 1 .00 29 .49 B

ATOM 3508 O GLY B 136 -3 .592 91 .083 7 .010 1 .00 28 .55 B

ATOM 3509 N THR B 137 -4 .115 93 .223 6 .575 1 .00 30 .71 B

ATOM 3510 CA THR B 137 -3 .084 93 .382 5 .556 1 .00 32 .64 B

ATOM 3511 CB THR B 137 -3 .676 93 .360 4 .132 1 .00 34 .44 B

ATOM 3512 OGl THR B 137 -4 .431 94 .556 3 .914 1 .00 37 .42 B

ATOM 3513 CG2 THR B 137 -4 .592 92 .156 3 .944 1 . OΌ 34 .02 B

ATOM 3514 C THR B 137 -2. .443 94 .747 5 .783 1, .00 34 .49 B

ATOM 3515 O THR B 137 -2 .727 95 .411 6 .778 1, .00 33, .20 B

ATOM 3516 N GLU B 138 -1 .579 95 .171 4, .868 1, .00 36 .90 B

ATOM 3517 CA GLU B 138 -0 .944 96 .476 5, .012 1, .00 40 .01 B

ATOM 3518 CB GLU B 138 0 .089 96 .706 3, .908 1, .00 4'3 .36 B

ATOM 3519 CG GLU B 138 1, .520 96. .418 4. .330 1. .00 50. .41 B

ATOM 3520 CD GLU B 138 2, .040 95. .103 3. .795 1. .00 53. .13 B

ATOM 3521 OE1 GLU B 138 2. .088 94. .943 2. .555 1. .00 55. .38 B

ATOM 3522 OE2 GLU B 138 2, .403 94. .231 4. .613 1. .00 57. .44 B

ATOM 3523 C GLU B 138 -1. ,977 97. .596 4. ,968 1. .00 39. .89 B

ATOM 3524 O GLU B 138 -1. .807 98. .633 5. ,614 1. ,oo 41. .63 B

ATOM 3525 N THR B 139 -3. .053 97. .377 4. ,217 1. .00 38. .54 B

ATOM 3526 CA THR B 139 -4. .106 98. .381 4. ,080 1. .00 36. ,94 B

ATOM 3527. CB THR B 139 -4. .180 98. .888 2. ,626 1. ,oo 38. ,44 B

ATOM 3528 OGl THR B 139 -4. ,413 97. .780 1. ,745 1. ,oo 40. ,08 B

ATOM 3529 CG2 THR B 139 -2. .876 99. ,569 2. ,234 1. ,oo 39. ,48 B

ATOM 3530 C THR B 139 -5. .485 97. ,870 4. ,497 1. ,oo 34. ,67 B

ATOM 3531 O THR B 139 -5. .731 97. ,620 5. ,676 1. ,oo 32. ,55 B

ATOM 3532 N LYS B 140 -6. .386 97. ,733 3. ,528 1. .00 32. ,81 B

ATOM 3533 CA LYS B 140 -7. 736 97. 256 3. 802 1. oo 33. 31 B

ATOM 3534 CB LYS B 140 -8. 640 97. 507 2. 591 1. 00 35. 17 B

ATOM 3535 CG LYS B 140 -8. 651 98. 948 2. 110 1. oo 40. 61 B

ATOM 3536 CD LYS B 140 -9. 502 99. 095 o. 853 1. oo 44. 35 B

ATOM 3537 CE LYS B 140 -9. 437 100. 512 o. 298 1. oo 46. 23' B

ATOM 3538 NZ LYS B 140 -10. 249 100. 660 -o. 948 1. oo 48. 64 B

ATOM .3539 C LYS B 140 -7. 711 95. 762 4. 107 1. oo 32. 27 B

ATOM 3540 O LYS B 140 -6. 889 95. 025 3. 556 1. oo 32. 35 B

ATOM 3541 N ALA B 141 -8. 609 95. 320 4. 981 1. oo 29. 88 B

ATOM 3542 CA ALA B 141 -8. 680 93. 912 5. 342 1. oo 30. 51 B

ATOM 3543 CB ALA B 141 -9. 734 93. 694 6. 425 1. oo 29. 79 B

ATOM 3544 C ALA B 141 -9. 034 93. 114 4. 097 1. oo 32. 73 B

ATOM 3545 O ALA B 141 -9. 829 93. 557 3. 265 1. oo 31. 40 B

ATOM 3546 N SER B 142 -8. 441 91. 935 3. 976 1. oo 33. 65 B

ATOM 3547 CA SER -B 142 -8. 685 91. 074 2. 828 1. oo 33. 56 B

ATOM 3548 CB SER B 142 -7. 371 90. 813 2. 091 1. oo 34. 72 B

ATOM 3549 OG SER B 142 -7. 579 90. 008 o. 947 1. oo 42. 65 B

ATOM 3550 C SER B 142 •-9. 304 89. 761 3. 287 1. oo 33. 51 B ATOM 3551 O SER B 142 -9.576 89.566 4.470 1.00 31.48 B

ATOM 3552 N GLU B 143 -9 .533 88 .859 2 .344 1 .00 33 .49 B

ATOM 3553 CA GLU B 143 -10 .131 87 .575 2 .665 1 .00 33 .20 B

ATOM 3554 CB GLU B 143 -11 .477 87 .443 1 .948 1 .00 36 .78 B

ATOM 3555 CG GLU B 143 -12 .364 86 .326 2 .453 1 .00 41 .18 B

ATOM 3556 CD GLU B 143 -13 .685 86 .263 1 .705 1 .00 45 .27 B

ATOM 3557 OEl GLU B 143 -13 .677 85 .885 o .512 1 .00 46 .51 B

ATOM 3558 OE2 GLU B 143 -14 .727 86 .601 2 .306 1 .00 48 .08 B

ATOM 3559 C GLU B 143 -9 .201 86 .450 2 .231 1 .00 30 .49 B

ATOM 3560 O GLU B 143 -8 .529 86 .554 1 .209 1 .00 30 .22 B

ATOM 3561 N GLY B 144 -9 .152 85 .386 3 .026 1 .00 28 .95 B

ATOM 3562 CA GLY B 144 -8 .315 84 .249 2 .689 1 .00 26 .31 B

ATOM 3563 C GLY B 144 -9 .080 82 .970 2 .960 1 .00 24 .39 B

ATOM 3564 O GLY B 144 -10 .045 82 .971 3 .725 1 .00 24 .08 B

ATOM 3565 N VAL B 145 -8 .667 81 .879 2 .324 1 .00 23 .60 B

ATOM 3566 CA VAL B 145 -9 .325 80 .603 2 .541 1 .00 23 .61 B

ATOM 3567 CB VAL B 145 -9 .993 80 .075 1 .249 1 .00 27 .18 B

ATOM 3568 CGI VAL B 145 -11 .034 81 .079 o .764 1 .00 29 .40 B

ATOM 3569 CG2 VAL B 145 -8 .941 79 .827 o .176 1. .00 30 .82 B

ATOM 3570 C VAL B 145 -8 .319 79 .558 3 .013 1 .00 21 .98 ^' B

ATOM 3571 O VAL B 145 -7, .167 79 .546 2 .567 1 .00 23 .04 B

ATOM 3572 N ILE B 146 -8 .755 78.. .705 3 .932 1 .00 20 .52 ^• B

ATOM 3573 CA ILE B 146 -7, .909 77 .624 4 .417 1 .00 20 .74 B

ATOM 3574 CB ILE B 146 -7, .979 77, .421 5 .943 1, .00 19. .05 B

ATOM 3575 CG2 ILE B 146 -6, .931 76, .399 6 .359 1, .00 1^'9. .93 B

ATOM 3576 CGI ILE B 146 -7 .733 78 .743 6 .685 1 .00 20 .32 B

ATOM 3577 CD1 ILE B 146 -7, .881 78 .621 8 .212 1 .00 23. .98 B

ATOM 3578 C ILE B 146 -8, .487 76 .370 3 .773 1, .00 20. .92 B

ATOM 3579 O ILE B 146 -9, .577 75, .928 4 .135 1, .00 22, .01 B

ATOM 3580 N PRO B 147 -7, .776 75, .800 2 .795 1, .00 21. .94 B

ATOM 3581 CD PRO B 147 -6. .512 ^' 76, .278 2, .211 1, .00 21. .14 B

ATOM 3582 CA PRO B 147 -8. .248 74. .588 2, .120 1. .00 24. .37 B

ATOM 3583 CB PRO B 147 -7. .147 74. .300 1. .101 1. .00 25. .23 B

ATOM 3584 CG PRO B 147 -6. .530 75. .634 o, .851 1. .00 25. .01 B

ATOM 3585 C PRO B 147 -8. .385 73. .454 3. .131 1. .00 26. .43 B

ATOM 3586 O PRO B 147 -7. .718 73. .449 4. .172 1. .00 23. ,70 B

ATOM 3587 N ALA B 148 -9. ,233 72. ,482 2. .820 1. .00 26. ,65 B

ATOM 3588 CA ALA B 148 -9. ,441 71. ,354 3. ,717 1. ,oo 28. ,58 B

ATOM 3589 CB ALA B 148 -10. ,394 70. ,345 3. ,068 1. ,oo 28. ,11 B

ATOM 3590 C ALA B 148 -8. 121 70. ,668 4. ,104 1. oo 28. ,02 B

ATOM 3591 O ALA B 148 -7. ,930 70. 285 5. ,256 1. oo 29. ,25 B

ATOM 3592 N ALA B 149 -7. 206 70. 540 3. ,149 1. oo 28. 06 B

ATOM 3593 CA ALA B 149 -5. 927 69. 874 3. ,408 1. 00 29. 46 B

ATOM 3594 CB ALA B 149 -5. 225 69. 557 2. 083 1. 00 31. 78 B

ATOM 3595 C ALA B 149 -4. 993 70. 676 4. 316 1. oo 30. 59 B

ATOM 3596 O ALA B 149 -4. 037 70. 127 4. 874 1. 00 29. 81 B

ATOM 3597 N GLU B 150 -5. 278 71. 967 4. 472 1. 00 27. 89 B

ATOM 3598 CA GLU B 150 -4. 451 72. 843 5. ,303 1. 00 28. 71 B

ATOM 3599 CB GLU B 150 -4. 219 74. 179 4. ,592 1. 00 29. 25 B

ATOM 3600 CG GLU B 150 -3. 579 74. 059 3. 215 1. oo 34. 53 B

ATOM 3601 CD GLU B 150 -2. 297 73. 249 3. 229 1. oo 40. 20 B

ATOM 3602 OEl GLU B 150 -1. 385 73. 579 4. 021 1. oo 41. 38 B

ATOM 3603 OE2 GLU B 150 -2. 195 72. 282 2. 440 1. oo 43. 26 B

ATOM 3604 C GLU B 150 -5. 054 73. 100 6. 676 1. oo 27. 31 B

ATOM 3605 O GLU B 150 -4. 579 73. 960 7. 421 1. oo 25. 19 B_,

ATOM 3606 N GLN B 151 -6. 114 72. 367 6. 998 1. oo 25. 35 B

ATOM 3607 CA GLN B 151 -6. 767 72. 496 8. 289 1. oo 27. 67 B

ATOM 3608 CB GLN B 151 -8. 280 72. 342 8. 140 1. oo 27. 07 B

ATOM 3609 CG GLN B 151 -8. 959 73. 537 7. 472 1. oo 27. 76 B

ATOM 3610 CD GLN B 151 -10. 360 73. 214 6. 981 1. oo 28. 38- B

ATOM 3611 OEl GLN B 151 -11. 110 72. 493 7. 642 1. oo 29. 79 B ATOM 3612 NE2 GLN B 151 -10.722 73.758 5.825 1.00 23.18 B

ATOM 3613 C GLN B 151 -6 .219 71 .404 9 .202 1 .00 28 .52 B

ATOM 3614 O GLN B 151 -5 .839 70 .331 8 .738 1 .00 29 .48 B

ATOM 3615 N VAL B 152 -6 .161 71 .681 10 .495 1 .00 30 .17 B

ATOM 3616 CA VAL B 152 -5 .654 70 .695 11 .438 1 .00 32 .47 B

ATOM 3617 CB VAL B 152 -4 .910 71 .370 12 .610 1 .00 32 .24 B

ATOM 3618 CGI VAL B 152 -4 .460 70 .323 13 .614 1 .00 31 .86 B

ATOM 3619 CG2 VAL B 152 -3 .713 72 .152 12 .086 1 .00 31 .52 B

ATOM 3620 C VAL B 152 -6 .808 69 .871 11 .990 1 .00 35 .15 B

ATOM 3621 O VAL B 152 -7 .766 70 .418 12 .534 1 .00 34 .31 B

ATOM 3622 N PRO B 153 -6 .737 68 .539 11 .846 1 .00 39 .09 B

ATOM 3623 CD PRO B 153 -5 .633 67 .724 11 .310 1 .00 41 .05 B

ATOM 3624 CA PRO B 153 -7 .814 67 .690 12 .358 1 .00 41 .78 B

ATOM 3625 CB PRO B 153 -7 .381 66 .292 11 .923 1 .00 42 .93 B

ATOM 3626 CG PRO B 153 -5 .883 66 .384 11 .963 1 .00 43 .03 B

ATOM 3627 C PRO B 153 -7 .916 67 .840 13 .871 1 .00 42 .93 B

ATOM 3628 O PRO B 153 -6 .927 67 .685 14 .589 1 .00 45 .07 B

ATOM 3629 N GLY B 154 -9 .113 68 .162 14 .350 1 .00 43 .26 B

ATOM 3630 CA GLY B 154 -9 .309 68 .337 15 .775 1 .00 42 .53 B

ATOM 3631 C GLY B 154 -9 .414 69 .800 16 .156 1 .00 42 .32 B

ATOM 3632 O GLY B 154 -9 .971 70 .137 17 .203 1 .00 43 .59 B

ATOM 3633 N GLU B 155 -8 .882 70 .675 15 .306 1 .00 40 .24 B

ATOM 3634 CA GLU B 155 -8 .919 72. .109 15 .572 1, .00 39, .57 B

ATOM 3635 CB GLU B 155 -7 .845 72. .819 14 .738 1, .00 39 .14 B

ATOM 3636 CG GLU B 155 -7 .348 74. .125 15 .334 1, .00 40 .00 B

ATOM 3637- CD GLU B 155 -6 .037 74, .596 14 .715 1, .00 39, .80 B

ATOM 3638 OEl GLU B 155 -6, .038 75. .010 13 .536 1. .00 32. .98 B

ATOM 3639 OE2 GLU B 155 -4, .998 74. ,540 15 .408 1, .00 39, .24 B

ATOM 3640 C GLU B 155 -10, .305 72, ,663 15. .241 1. .00 38, .54 B

ATOM 3641 O , GLU B 155 -10, .946 72. .218 14 .294 1, .00 37, .85 B

ATOM 3642 N SER B 156 -10. .761 73. .628 16. .034 1. .00 39. .11 B

ATOM 3643 CA SER B 156 -12. .070 74. .242 15. .834 1. .00 39. .21 B

ATOM 3644 CB SER B 156 -12. .661 74. .663 17. .184 1. .00 41. .78 B

ATOM 3645 OG SER B 156 -13. .829 75. .451 17, .012 1. .00 44. .30 B

ATOM 3646 C SER B 156 -11. .988 75. .458 14, .919 1. ,00 37. .72 B

ATOM 3647 O SER B 156 -11. .124 76. ,317 15. .098 1. ,00 39. .08 B

ATOM 3648 N TYR B 157 -12. .888 75. ,527 13. ,941 1. ,00 34. ,33 B

ATOM 3649 CA TYR B 157 -12. .918 76. ,645 13. .004 1. ,00 31. ,79 B

ATOM 3650 CB TYR B 157 -12. 610 76. ,146 11. ,593 1. 00 29. ,60 B

ATOM 3651 CG TYR B 157 -11. .196 75. ,636 11. ,470 1. 00 27. ,76 B

ATOM 3652 GDI TYR B 157 -10. .118 76. ,520 11. .444 1. ,00 28. .02 B

ATOM 3653 CEl TYR B 157 -8. ,805 76. ,055 11. .389 1. ,00 26. ,86 B

ATOM 3654 CD2 TYR B 157 -10. 927 74. 268 11. ,433 1. 00 27. 07 B

ATOM 3655 CE2 TYR B 157 -9. 617 73. 792 11. ,380 ^' 1. 00 25. 88 B

ATOM 3656 CZ TYR B 157 -8. 563 ^' 74. 690 11. ,361 1. 00 26. 06 B

ATOM 3657 OH TYR B 157 -7. 267 74. 229 11. ,353 1. 00 23. 45 B

ATOM 3658 C TYR B 157 -14. 260 77. 369 13. 043 1. 00 32. 54 B

ATOM 3659 O TYR B 157 -14. 835 77. 710 12. 010 1. 00 31. 74 B

ATOM 3660 N GLU B 158 -14. 739 77. 604 14. 260 1. 00 34. 01 B

ATOM 3661 CA GLU B 158 -16. 004 78. 290 14. 496 1. 00 36. 48 B

ATOM 3662 CB GLU B 158 -16. 348 78. 257 15. 987 1. 00 39. 87 B

ATOM 3663 CG GLU B 158 -16. 678 76. 881 16. 543 1. 00 47. 65 B

ATOM 3664 CD GLU B 158 -18. 068 76. 415 16. 158 1. 00 51. 52 B

ATOM 3665 OEl GLU B 158 -18. 450 75. 293 16. 559 1. 00 55. 69 B

ATOM 3666 OE2 GLU B 158 -18. 782 77. 170 15. 460 1. 00 54. 77 B

ATOM 3667 C GLU B 158 -15. 927 79. 744 14. 045 1. 00 35. 56 B

ATOM 3668 O GLU B 158 -14. 904 80. 406 14. 222 1. oo 31. 96 B

ATOM 3669 N HIS B 159 -17. 018 80. 234 13. 468 1. oo 35. 44 B

ATOM 3670 CA HIS B 159 -17. 088 81. 613 13. 019 1. oo 36. 18 B

ATOM 3671 CB HIS B 159 -18. 490 81. 903 12. 465 1. oo 39. 91 B

ATOM 3672 CG HIS B 159 -18. 922 83. 328 12. 625 1. oo 43. 99 B ATOM 3673 CD2 HIS B 159 -19.124 84.309 11.713 1.00 45.89 B

ATOM 3674 NDl HIS B 159 -19 .173 83 .893 13 .857 1 .00 46 .67 B

ATOM 3675 CEl HIS B 159 -19 .508 85 .160 13 .698 1 .00 46 .46 B

ATOM 3676 NE2 HIS B 159 -19 .486 85 .438 12 .407 1 .00 47 .96 B

ATOM 3677 C HIS B 159 -16 .776 82 .533 14 .201 1 .00 34 .16 B

ATOM 3678 0 HIS B 159 -17 .278 82 .323 15 .304 1 .00 34 .54 B

ATOM 3679 N GLY B 160 -15 .936 83 .538 13 .972 1 .00 32 .80 B

ATOM 3680 CA GLY B 160 -15 .584 84 .460 15 .038 1 .00 30 .15 B

ATOM 3681 C GLY B 160 -14 .289 84 .123 15 .761 1 .00 30 .43 B

ATOM 3682 0 GLY B 160 -13 .788 84 .940 16 .533 1 .00 28 .96 B

ATOM 3683 N ASN B 161 -13 .747 82 .927 15 .537 1 .00 27 .94 B

ATOM 3684 CA ASN B 161 -12 .490 82 .547 16 .181 1 .00 27 .82 B

ATOM 3685 CB ASN- B 161 -12 .174 81 .061 15 .952 1 .00 29 .68 B

ATOM 3686 CG ASN B 161 -12 .901 80 .143 16 .916 1 .00 33 .79 B

ATOM 3687 ODl ASN B 161 -12 .761 78 .921 16 .840 1 .00 37 .31 B

ATOM 3688 ND2 ASN B 161 -13 .673 80 .720 17 .826 1 .00 33 .96 B

ATOM 3689 C ASN B 161 ^' -11 .366 83 .370 15 .564 1 .00 25 .79 B

ATOM 3690 0 ASN B 161 -11 .359 83 .592 14 .356 1 .00 25 .71 B

ATOM 3691 N ARG B 162 -10 .423 83 .811 16 .392 1 .00 24 .44 B

ATOM 3692 CA ARG B 162 -9 .283 84 .591 15 .916 1 .00 24 .96 B

ATOM 3693 CB ARG B 162 -8 .949 85 .726 16 .893 1 .00 23 .52 B

ATOM 3694 CG ARG B 162 -7 .808 86 .638 16 .421 1, .00 25 .09 B

ATOM 3695 CD ARG B 162 -7 .454 87 .708 17 .456 1, .00 27 .37 B

ATOM 3696 NE ARG B 162 -6 .488 88 .682 16 .948 1, .00 27 .18 B

ATOM 3697 CZ ARG B 162 -5, .169 88, .497 16 .88.5 1, .00 30 .16 B

ATOM 3698 NHl ARG B 162 -4, .621 87, .359 17, .301 1, .00 29 .52 B

ATOM 3699 NH2 ARG B 162 -4 .389 89 .462 16 .413 1, .00 26 .46 B

ATOM 3700 C ARG B 162 -8 .089 83 .650 15 .813 1, . o^'o 24 .83 B

ATOM 3701 0 ARG B 162 -7 .849 82, .847 16, .719 1. .00 26 .27 B

ATOM 3702 N LEU B 163 -7, .337 83, .732 14, .719 1, .00 25 .45 B

ATOM 3703 CA LEU B 163 -6, .185 82, .849 14, .577 1. .00 24. .38 B

ATOM 3704 CB LEU B 163 -6, .635 81, .472 14. .081 1. .00 24. .66 B

ATOM 3705 CG LEU B 163 -6. .962 81. .307 12. .593 1. .00 26. .36 B

ATOM 3706 CD1 LEU B 163 -7. .381 79. .868 12. .343 1. ,00 27, .73 B

ATOM 3707 CD2 LEU B 163 -8. .067 82. .262 12. ,170 1. ,00 26. .17 B

ATOM 3708 C LEU B 163 -5. .125 83. .385 13. ,633 1. ,00 23. .53 B

ATOM 3709 0 LEU B 163 -5. .363 84. .326 12. ,884 1. ,00 22. .72 B

ATOM 3710 N ARG B 164 -3. ,944 82. .782 13. ,697 1. ,00 21. .64 B

ATOM 3711 CA ARG B 164 -2. ,848 83. ,157 12. ,816 1. 00 21. .61 B

ATOM 3712 CB ARG B 164 -1. ,556 83. ,359 13. ,605 1. 00 25. .79 B

ATOM 3713 CG ARG B 164 -1. 583 84. ,583 14. 495 1. oo 31. ,16 B

ATOM 3714 CD ARG B 164 -o. 181 84. 940 14. 927 1. oo 38. ,87 B

ATOM 3715 NE ARG B 164 o. 094 86. 348 14. 675 1. 00 42. ,57 B

ATOM 3716 CZ ARG B 164 -o. 360 87. 342 15. 425 1. 00 44. 85 B

ATOM 3717 NHl ARG B 164 -1. 112 87. 081 16. 490 1. oo 47. 64 B

ATOM 3718 NH2 ARG B 164 -o. 073 88. 597 15. 101 1. oo 43. 30 B

ATOM 3719 C ARG B 164 -2. 663 82. 029 11. 813 1. oo 22. 15 B

ATOM 3720 0 ARG B 164 -2. 759 80. 850 12. 169 1. oo 22. 88 B

ATOM 3721 N CYS B 165 -2. 397 82. 397 10. 565 1. oo 21. 87 B

ATOM 3722 CA CYS B 165 -2. 207 81. 430 9. 491 1. oo 21. 54 B

ATOM 3723 CB CYS B 165 -3. 392 81. 455 8. 519 1. oo 23. 68 B

ATOM 3724 SG CYS B 165 -5. ooo 81. 029 9. 187 1. oo 31. 46 B

ATOM 3725 C CYS B 165 -o. 970 81. 788 8. 696 1. oo 21. 11 B

ATOM 3726 0 CYS B 165 -o. 488 82. 915 8. 745 1. oo 21. 52 B

ATOM 3727 N TYR B 166 -0. 481 80. 822 7. 933 1. oo 20. 78 B

ATOM 3728 CA TYR B 166 0. 682 81. 025 7. 087 1. oo 22. 63 B

ATOM 3729 CB TYR B 166 1. 623 79. 830 7. 230 1. oo 24. 07 B

ATOM 3730 CG TYR B 166 2. 860 79. 917 6. 376 1. 00 24. 29 B

ATOM 3731 CD1 TYR B 166 3. 861 80. 848 6. 652 1. 00 25. 58 B

ATOM 3732 CEl TYR B 166 5. 016 80. 916 5. 867 1. 00 28. 11 B

ATOM 3733 CD2 TYR B 166 3. 036 79. 056 5. 293 1. 00 25. 15 B ATOM 3734 CE2 TYR B 166 4.182 79.115 4.506 1.00 26.76 B

ATOM 3735 CZ TYR B 166 5.165 80 .042 4 .800 1 .00 29 .13 B

ATOM 3736 OH TYR B 166 6.306 80 .075 4 .037 1 .00 33 .20 B

ATOM 3737 C TYR B 166 0.167 81 .127 5 .645 1 .00 22 .53 B

ATOM 3738 O TYR B 166 -0.652 80 .313 5 .220 1 .00 24 .40 B

ATOM 3739 N VAL B 167 0.631 82 .124 4 .895 1 .00 21 .24 B

ATOM 3740 CA VAL B 167 0.175 82 .289 3 .515 1 .00 22 .72 B

ATOM 3741 CB VAL B 167 0.334 83 .752 3 .031 1 .00 22 .72 B

ATOM 3742 CGI VAL B 167 -0.217 83 .896 1 .607 1 .00 23 .07 B

ATOM 3743 CG2 VAL B 167 -0.392 84 .700 3 .985 1 .00 22 .44 B

ATOM 3744 C VAL B 167 0.959 81 .378 ^' 2 .573 1 .00 24 .55 B

ATOM 3745 O VAL B 167 2.139 81 .618 2 .306 1 .00 23 .98 B

ATOM 3746 N VAL B 168 0.303 80 .336 2 .068 1 .00 25 .90 B

ATOM 3747 CA VAL B 168 0.963 79 .407 1 .156 1 .00 27 .38 B

ATOM 3748 CB VAL B 168 0.475 77 .950 1 .355 1 .00 27 .18 B

ATOM 3749 CGI VAL B 168 1.004 77 .407 2 .660 1 .00 26 .13 B

ATOM ^• 3750 CG2 VAL B 168 -1.038 77 .888 1 .319 1 .00 27 .91 B

ATOM 3751 C VAL B 168 0.772 79 .772 -o .301 1 .00 28 .99 B

ATOM 3752 O VAL B 168 1.454 79 .235 -1 .172 1. .00 33 .26 B

ATOM 3753 N GLY B 169 -0.147 80 .685 -o .576 1 .00 29 .49 B

ATOM 3754 CA GLY B 169 -0.362 81 .066 -1 .954 1 .00 30 .98 B

ATOM 3755 C GLY B 169 -1.151 82 .334 -2 .165 1 .00 30 .95 B

ATOM 3756 O GLY B 169 -2.043 82 .670 -1 .388 1 .00 28 .53 B

ATOM 3757 N VAL B 170 -0.788 83 .051 -3 .222 1, .00 33 .12 B

ATOM 3758 CA VAL B 170 -1.461 84 .280 _:3 .610 1, .00 36 .92 B

ATOM 3759 CB VAL B 170 -0.738 85 .542 -3 .093 1. .00 37 .53 B

ATOM 3760 CGI VAL B 170 -1.475 86, .786 -3 .572 1, .00 36 .58 B

ATOM 3761 CG2 VAL B 170 -0.673 85, .528 -1 .577 1. .00 35 .23 B

ATOM 3762 C VAL B 170 -1.434 84. .312 -5, .130 1. ,00 41, .51 B

ATOM 3763 O VAL B 170 -0.369 84. .239 -5, .738 1. .00 40, .88 B

ATOM 3764 N THR B 171 -2.604 84. .397 -5, .746 1. .00 46, .90 B

ATOM 3765 CA THR B 171 -2.669 84. .449 -7, .196 1. ,00 53 .79 B

ATOM 3766 CB THR B 171 -3.284 83. .162 -7, .781 1. ,00 53, .36 B

ATOM 3767 OGl THR B 171 -3.513 83. .341 -9, .184 1. ,00 56, .79 B

ATOM 3768 CG2 THR B 171 -4.593 82. ,827 -7, .091 1. ,00 53. .01 B

ATOM 3769 C THR B 171 -3.482 85. ,653 -7. .648 1. ,00 57. ,89 B

ATOM 3770 O THR B 171 -4.672 85. ,758 -7. .349 1. 00 57. ,89 B

ATOM 3771 N ARG B 172 -2.819 86. 569 -8. .350 1. oo 63. ,10 B

ATOM 3772 CA ARG B 172 -3.467 87. 774 -8. .855 1. oo 67. ,82 B

ATOM 3773 CB ARG B 172 -2.460 88. 929 -8. ,944 1. oo 69. ,54 B

ATOM 3774 CG ARG B 172 -1.068 88. 538 -9. 430 1. oo 72. 06 B

ATOM 3775 CD ARG B 172 -0.205 89. 777 -9. ,655 1. oo 73. ,94 B

ATOM 3776 NE ARG B 172 1.226 89. 503 -9. ,542 1. oo 75. ,71 B

ATOM 3777 CZ ARG B 172 1.885 88. 605 -10. 269 1. oo 76. ,56 B

ATOM 3778 NHl ARG B 172 1.245 87. 878 -11. 175 1. oo 77. 11 B

ATOM 3779 NH2 ARG B 172 3.188 88. 434 -10. 088 1. oo 77. 15 B

ATOM 3780 C ARG B 172 -4.098 87. 527 -10. 219 1. oo 69. 89 B

ATOM 3781 O ARG B 172 -3.423 87. 576 -11. 249 1. oo 70. 75 B

ATOM 3782 N LEU B 173 -5.400 87. 259 -10. 213 1. oo 71. 91 B

ATOM 3783 CA LEU B 173 -6.138 86. 996 -11. 440 1. oo 73. 75 B

ATOM 3784 CB LEU B 173 -7.363 86. 128 -11. 134 1. oo 74. 24 B

ATOM 3785 CG LEU B 173 -8.219 85. 673 -12. 320 1. oo 74. 41 B

ATOM 3786 CD1 LEU B 173 -7.387 84. 812 -13. 257 1. oo 74. 51^' B

ATOM 3787 CD2 LEU B 173 -9.422 84. 894 -11. 810 1. oo 74. 54 B

ATOM 3788 C LEU B 173 -6.577 88. 295 -12. 115 1. oo 74. 55 B

ATOM 3789 O LEU B 173 -5.953 88. 746 -13. 077 1. oo 74. 63 B

ATOM 3790 N ALA B 174 -7.652 88. 891 -11. 605 1. oo 75. 23 B

ATOM 3791 CA ALA B 174 -8.173 90. 135 -12. 162 1. oo 75. 70 B

ATOM 3792 CB ALA B 174 -8.675 89. 900 -13. 586 1. oo 75. 91 B

ATOM 3793 C ALA B 174 -9.299 90. 698 -11. 301 1. oo 75. 94 B

ATOM 3794 O ALA B 174 -9.315 91. 890 -10. 985 1. 00 76. 41 B ATOM 3795 N ARG B 175 -10.238 89.835 -10.927 1.00 75.44 B

ATOM 3796 CA ARG B 175 -11 .373 90 .243 -10 .108 1 .00 74 .58 B

ATOM 3797 CB ARG B 175 -12 .575 89 .338 -10 .396 1 .00 76 .43 B

ATOM 3798 CG ARG B 175 -12 .905 89 .198 -11 .877 1 .00 78 .39 B

ATOM 3799 CD ARG B 175 -13 .302 90 .531 -12 .500 1 .00 80 .27 B

ATOM 3800 NE ARG B 175 -13 .349 90 .459 -13 .959 1 .00 82 .25 B

ATOM 3801 CZ ARG B 175 -14 .152 89 .653 -14 .647 1 .00 83 .50 B

ATOM 3802 NHl ARG B 175 -14 .988 88 .841 -14 .012 1 .00 83 .98 B

ATOM 3803 NH2 ARG B 175 -14 .114 89 .654 -15 .973 1 .00 84 .24 B

ATOM 3804 C ARG B 175 -11 .024 90 .181 -8 .623 1 .00 73 .01 B

ATOM 3805 O ARG B 175 -10 .715 91 .201 -8 .006 1 .00 73 .51 B

ATOM 3806 N GLU B 176 -11 .070 88 .978 -8 .058 1 .00 70 .28 B

ATOM 3807 CA GLU B 176 -10 .760 88 .781 -6 .645 1 .00 67 .04 B

ATOM 3808 CB GLU B 176 -11 .932 88 .092 -5 .940 1 .00 68 .84 B

ATOM 3809 CG GLU B 176 -12 .^'650 88 .971 -4 .928 1 .00 71 .30 B

ATOM 3810 CD GLU B 176 -11 .748 89 .392 -3 .782 1 .00 72 .98 B

ATOM 3811 OEl GLU B 176 -11 .251 88 .503 -3 .058 1 .00 74 .53 B

ATOM 3812 OE2 GLU B 176 -11 .536 90 .610 -3 .604 1 .00 73 .51 B

ATOM 3813 C GLU B 176 -9 .491 87 .957 -6 .447 1 .00 62 .77 ^' B

ATOM 3814 0 GLU B 176 -9 .433 86 .788 -6 .829 1 .00 63 .95 B

ATOM 3815 N PRO B 177 -8 .455 88 .559 -5 .841 1 .00 57 .62 B

ATOM 3816 CD PRO B 177 -8 .431 89 .917 -5 .269 1 .00 57 .46 B

ATOM 3817 CA PRO B 177 -7 .184 87 .869 -5 .592 1 .00 52 .94 B

ATOM 3818 CB PRO B 177 -6 .296 88 .979 -5 .040 1 .00 54 .57 B

ATOM 3819 CG PRO B 177 -7 .273 89 .837 -4 .299 1. .00 56 .08 B

ATOM 3820 C PRO B 177 -7 .368 86, .721 -4 .601 1, .00 46 .88 B

ATOM 3821 O PRO B 177 -7 .913 86, .915 -3 .515 1, .00 46 .56 B

ATOM 3822 N LEU B 178 -6 .921 85, .527 -4 .977 1. .00 39 .99 B

ATOM 3823 CA LEU B 178 -7, .069 84. .373 -4 .101 1, .00 33 .72 B

ATOM 3824 CB LEU B 178 -7, .294 83. .102 -4, .918 1. .00 33 .95 B

ATOM 3825 CG LEU B 178 -7. .421 81. .826 -4, .082 1. .00 34. .16 B

ATOM 3826 CD1 LEU B 178 -8, .613 81. ,940 -3, .141 1. .00 31, .04 B

ATOM 3827 CD2 LEU B 178 -7. .571 80. .621 -5, .001 1. .00 34, .76 B

ATOM 3828 C LEU B 178 -5. .884 84. .165 -3. .165 1. .00 30. .24 B

ATOM 3829 O LEU B 178 -4. .771 83. ,871 -3. ,600 1. .00 29. .33 B

ATOM 3830 N ILE B 179 -6. ,145 84. ,321 -1. .873 1. ,oo 26. .87 B

ATOM 3831 CA ILE B 179 -5. ,125 84. 143 -o. .849 1. .00 24. .85 B

ATOM 3832 CB ILE B 179 -5. ,183 85. 288 o. ,182 1. oo 23. ,94 B

ATOM 3833 CG2 ILE B 179 -4. ,196 85. 025 1. ,312 1. oo 22. ,82 ^' B

ATOM 3834 CGI ILE B 179 -4. 894 ^' 86. 622 -o. ,520 1. oo 24. ,17 B

ATOM 3835 GDI ILE B 179 -4. 984 87. 841 o. 386 1. oo 25. ,51 B

ATOM 3836 C ILE B 179 -5. 387 82. 810 -o. 155 1. oo 24. ,09 B

ATOM 3837 O ILE B 179 -6. 439 82. 617 o. 458 1. oo 24. 76 B

ATOM 3838 N THR B 180 -4. 431 81. 889 -o. 263 1. oo 25. 25 B

ATOM 3839 CA THR B 180 -4. 572 80. 575 o. 347 1. oo 23. 17 B

ATOM 3840 CB THR B 180 -4. 090 79. 466 -o. 605 1. oo 25. 05 B

ATOM 3841 OGl THR B 180 -4. 845 79. 531 -1. 821 1. oo 27. 77 B

ATOM 3842 CG2 THR B 180 -4. 296 78. 099 o. 027 1. oo 24. 79 B

ATOM 3843 C THR B 180 -3. 778 80. 519 1. 642 1. 00 23. 17 B

ATOM 3844 O THR B 180 -2. 586 80. 826 1. 673 1. 00 22. 47 B

ATOM 3845 N LEU B 181 -4. 469 80. 127 2. 705 1. 00 22. 28 B

ATOM 3846 CA LEU B 181 -3. 906 80. 061 4. 045 1. oo 22. 55 B

ATOM 3847 CB LEU B 181 -4. 831 80. 806 5. 006 1. oo 21. 57 B

ATOM 3848 CG LEU B 181 -5. 166 82. 240 4. 597 1. oo 21. 85 B

ATOM 3849 CD1 LEU B 181 -6. 230 82. 819 5. 533 1. oo 22. 75 B

ATOM 3850 CD2 LEU B 181 -3. 891 83. 075 4. 621 1-. oo 21. 54 B

ATOM 3851 C LEU B 181 -3. 726 78. 636 4. 541 1. oo 23. 09 B

ATOM 3852 O LEU B 181 -4. 405 77. 716 4. 086 1. oo 21. 85 B

ATOM 3853 N SER B 182 -2. 822 78. 463 5. 500 1. oo 22. 51 B

ATOM 3854 CA SER B 182 -2. 567 77. 144 6. 067 1. oo 22. 91 B

ATOM 3855 CB SER B 182 -1. 348 76. 498 5. 394 1. oo 25. 03 B ATOM 3856 OG SER B 182 -0.981 75.306 6.070 1.00 26.67 B

ATOM 3857 C SER B 182 -2 .332 77 .181 7 .568 1 .00 21 .91 B

ATOM 3858 O SER B 182 -1 .708 78 .112 8 .096 1 .00 21 .50 B

ATOM 3859 N ARG B 183 -2 .861 76 .175 8 .255 1 .00 20 .07 B

ATOM 3860 CA ARG B 183 -2 .666 76 .039 9 .695 1 .00 20 .75 B

ATOM 3861 CB ARG B 183 -4 .002 75 .776 10 .398 1 .00 21 .38 B

ATOM 3862 CG ARG B 183 -4 .851 77 .018 10 .562 1 .00 22 .18 B

ATOM 3863 CD ARG B 183 -4 .305 77 .904 11 .680 1 .00 23 .41 B

ATOM 3864 NE ARG B 183 -4 .457 77 .281 12 .996 1 .00 22 .56 B

ATOM 3865 CZ ARG B 183 -4 .068 77 .839 14 .139 1 .00 24 .49 B

ATOM 3866 NHl ARG B 183 -3 .500 79 .038 14 .129 1 .00 23 .58 B

ATOM 3867 NH2 ARG B 183 -4 .250 77 .201 15 .295 1 .00 23 .93 B

ATOM 3868 C ARG B 183 -1 .744 74 .851 9 .921 1 .00 22 .31 B

ATOM 3869 O ARG B 183 -1 .305 74 .598 11 .034 1 .00 22 .51 B

ATOM 3870 N THR B 184 -1 .457 74 .124 8 .847 1 .00 23 .48 B

ATOM 3871 CA THR B 184 -0 .620 72 .932 8 .936 1 .00 24 .01 B

ATOM 3872 CB THR B 184 -1 .169 71 .810 8 .019 1 .00 23 .42 B

ATOM 3873 OGl THR B 184 -1 .175 72 .275 6 .662 1 .00 24 .35 B

ATOM 3874 CG2 THR B 184 -2 .580 71 .424 8 .430 1 .00 24 .32 B

ATOM 3875 C THR B 184 0 .853 73 .103 8 .588 1 .00 24 .61 B

ATOM 3876 O THR B 184 1 .688 72 .310 9 .024 1 .00 24 .72 B

ATOM 3877 N HIS B 185 1 .175 74 .123 7 .806 1 .00 23 .79 B

ATOM 3878 CA HIS B 185 2 .550 74 .331 7 .365 1 .00 24 .42 B

ATOM 3879 CB HIS B 185 2 .628 75 .574 6 .477 1 .00 26 .16 B

ATOM 3880 CG HIS B 185 3 .785 75 .566 5 .529 1 .00 27 .58 B

ATOM 3881 CD2 HIS B 185 5 .102 75, .808 5 .727 1, .00 26. .84 B

ATOM 3882 NDl HIS B 185 3 .647 75, .277 4. .188 1, .00 30. .08 B

ATOM 3883 CEl HIS B 185 4, .828 75, .346 3. .601 1. .00 27, .98 B

ATOM 3884 NE2 HIS B 185 5, .727 75, ,666 4. .513 1. .00 31. .33 B

ATOM 3885 C HIS B 185 3 .571 74, .458 8. .499 1. .00 24. .39 B

ATOM 3886 O HIS B 185 3, .323 75, .126 9 . .503 1. .00 24. .25 B

ATOM 3887 N PRO B 186 4, .743 73. ,820 8. .342 1. .00 23. .85 B

ATOM 3888 CD PRO B 186 5, .170 72. .922 7. .250 1. .00 25. .52 B

ATOM 3889 CA PRO B 186 5, .770 73. .904 9. .381 1. .00 24. .86 B

ATOM 3890 CB PRO B 186 6. .856 72. ,941 8. .878 1. ,oo 25. ,96 B

ATOM 3891 CG PRO B 186 6. .681 72. ,972 7. ,376 1. ,00 28. .25 B

ATOM 3892 C PRO B 186 6. .287 75. ,331 9. ,577 1. oo 24. .00 B

ATOM 3893 O PRO B 186 6. ,727 75. 689 10. ,663 1. oo 22. 93 B

ATOM 3894 N ASN B 187 6. ,228 76. 147 8. 530 1. oo 23. 75 B

ATOM 3895 CA ASN B 187 6. ,700 77. 526 8. 636 1. oo 23. 99 B

ATOM 3896 CB ASN B 187 6. 772 78. 189 7. 256 1. oo 27. 30 B

ATOM 3897 CG ASN B 187 7. 977 77. 737 6. 441 1. oo 30. 89 B

ATOM 3898 ODl ASN B 187 8. 132 78. 125 5. 280 1. oo 34. 32 B

ATOM 3899 ND2 ASN B 187 8. ,837 76. 928 7. 045 1. oo 31. 06 B

ATOM 3900 C ASN B 187 5. 820 78. 366 9. 558 1. oo 22. 86 B

ATOM 3901 O ASN B 187 6. 218 79. 448 9. 981 1. oo 23. 35 B

ATOM 3902 N LEU B 188 4. 618 77. 885 9. 869 1. oo 22. 62 B

ATOM 3903 CA LEU B 188 3. 756 78. 640 10. 762 1. oo 22. 82 B

ATOM 3904 CB LEU B 188 2. 354 78. 023 10. 844 1. oo 22. 23 B

ATOM 3905 CG LEU B 188 1. 398 78. 651 11. 867 1. oo 23. 88 B

ATOM 3906 CD1 LEU B 188 1. 202 80. 145 11. 574 1. oo 22. 54 B

ATOM 3907 CD2 LEU B 188 0. 058 77. 920 11. 831 1. oo 20. 26 B

ATOM 3908 C LEU B 188 4. 426 78. 611 12. 132 1. oo 23. 01 B

ATOM 3909 O LEU B 188 4. 420 79. 605 12. 856 1. oo 22. 27 B

ATOM 3910 N VAL B 189 5. 024 77. 471 12. 472 1. oo 22. 35 B

ATOM 3911 CA VAL B 189 5. 716 77. 337 13. 749 1. oo 21: 39 B

ATOM 3912 CB VAL B 189 6. 185 75. 879 13. 976 1. oo 23. 47 B

ATOM 3913 CGI VAL B 189 7. 074 75. 795 15. 211 1. oo 23. 51 B

ATOM 3914 CG2 VAL B 189 4. 970 74. 968 14. 142 1. oo 23. 78 B

ATOM 3915 C VAL B 189 6. 918 78. 275 13. 760 1. oo 20. 13 B

ATOM 3916 O VAL B 189 7. 151 78. 996 14. 729 1. 00 21. 97 B ATOM 3917 N ARG B 190 7.670 78.273 12.664 1.00 20.95 B

ATOM 3918 CA ARG B 190 8 .844 79 .122 12 .528 1 .00 22 .08 B

ATOM 3919 CB ARG B 190 9 .465 78 .893 11 .144 1 .00 27 .62 B

ATOM 3920 CG ARG B 190 10 .836 79 .495 10 .930 1 .00 32 .27 B

ATOM 3921 CD ARG B 190 11 .295 79 .276 9 .487 1 .00 34 .50 B

ATOM 3922 NE ARG B 190 11 .587 77 .878 9 .172 1 .00 35 .63 B

ATOM 3923 CZ ARG B 190 12 .805 77 .342 9 .210 1 .00 38 .24 B

ATOM 3924 NHl ARG B 190 13 .846 78 .085 9 .553 1 .00 38 .40 B

ATOM 3925 NH2 ARG B 190 12 .987 76 .066 8 .892 1 .00 39 .93 B

ATOM 3926 C ARG B 190 8 .475 80 .597 12 .719 1 .00 23 .62 B

ATOM 3927 O ARG B 190 9 .123 81 .314 13 .485 1 .00 21 ^".92 B

ATOM 3928 N LYS B 191 7 .422 81 .044 12 .034 1 .00 21 .19 B

ATOM 3929 CA LYS B 191 6 .977 82 .435 12 .120 1 .00 24 .54 B

ATOM 3930 CB LYS B 191 5 .872 82 .708 11 .090 1 .00 26 .23 B

ATOM 3931 CG LYS B 191 6 .239 82 .349 9 .663 1 .00 33 .26 B

ATOM 3932 CD LYS B 191 7 .349 83 .223 9 .102 1 .00 35 .48 B

ATOM 3933 CE LYS B 191 6 .848 84 .611 8 .738 ^' 1 .00 37 .45 B

ATOM 3934 NZ LYS B 191 7 .919 85 .422 8 .075 1 .00 38 .68 B

ATOM ^' 3935 C LYS B 191 6 .471 82 .829 13 .506 1 .00 22 .52 B

ATOM 3936 O LYS B 191 6 .738 83 .940 13 .978 1 .00 21 .13 B

ATOM 3937 N LEU B 192 5 .722 81 .938 14 .152 1 .00 20 .72 B

ATOM 3938 CA LEU B 192 5 .209 82 .227 15 .480 1, .00 20 .39 B

ATOM 3939 CB LEU B 192 4 .257 81 .112 15 .945 1, .00 22 .07 B

ATOM 3940 CG LEU B 192 2 .870 81 .126 15 .298 1, .00 21 .89 B

ATOM 3941 GDI LEU B 192 2. .081 79 .864 15. .669 1, .00 20 .25 B

ATOM 3942 CD2 LEU B 192 2 .133 82 .378 15. .766 1, .00 24 .01 B

ATOM 3943 C LEU B 192 6 .351 82 .399 16, .487 1, .00 21 .32 B

ATOM 3944 O LEU B 192 6 .294 83 .264 17, .364 1. .00 20 .36 B

ATOM 3945 N PHE B 193 7, .395 81, .587 16, .369 1. .00 21 .09 B

ATOM 3946 CA PHE B 193 8, .503 81, .731 17, .304 1. .00 22 .46 B

ATOM 3947 CB PHE B 193 9, .504 80, .581 17. .175 1. .00 19. .53 B

ATOM 3948 CG PHE B 193 9, .244 79, .452 18. .140 1. .00 22, .55 B

ATOM .3949 CD1 PHE B 193 8, .652 78, .267 17. .710 1. .00 21. .90 B

ATOM 3950 CD2 PHE B 193 9, .562 79, ,593 19. ,491 1. .00 21, .83 B

ATOM 3951 CEl PHE B 193 8. .376 77, .235 18. .607 1. .00 21. .80 B

ATOM 3952 CE2 PHE B 193 9. .289 78. ,564 20. .404 1. .00 23. .75 B

ATOM 3953 CZ PHE B 193 8. .692 77. ,377 19. .954 1. ,oo 23. .25 ^' B

ATOM 3954 C PHE B 193 9. .206- 83. ,072 17. ,112 1. ,oo 22. .94 B

ATOM 3955 , O PHE B 193 9. .669 83. ,675 18. ,078 1. .00 23. .58 B

ATOM 3956 N SER B 194 9. .257 83. ,553 15. ,874 1. .00 24. .68 B

ATOM 3957 CA SER B 194 9, ,890 84. ,838 15. ,602 1. oo 27. ,13 B

ATOM 3958 CB SER B 194 9. ,979 85. ,080 14. ,093 1. oo 29. ,12 B

ATOM 3959 OG SER B 194 10. ,698 86. ,272 13. ,827 1. oo 34. ,93 B

ATOM 3960 C SER B 194 9. ,096 85. ,964 16. 272 1. oo 26. ,98 B

ATOM 3961 O SER B 194 9. 674 86. ,929 16. 770 1. oo 27. ,64 B

ATOM 3962 N LEU B 195 7. 771 85. 836 16. 288 1. oo 27. 10 B

ATOM 3963 CA LEU B 195 6. 916 86. 839 16. 919 1. oo 26. 84 B

ATOM 3964 CB LEU B 195 5. 449 86. 626 16. 536 1. oo 28. 82 B

ATOM 3965 CG LEU B 195 5. 021 86. 924 15. 104 1. oo 31. 88 B

ATOM 3966 CD1 LEU B 195 3. 542 86. 581 14. 951 1. oo 31. 49 B

ATOM 3967 CD2 LEU B 195 5. 272 88. 402 14. 789 1. oo 33. 81 B

ATOM 3968 C LEU B 195 7. 012 86. 801 18. 437 1. oo 27. 24 B

ATOM 3969 O LEU B 195 6. 847 87. 825 19. 108 1. oo 28. 41 B

ATOM 3970 N GLU B 196 ^'7. 284 85. 618 18. 975 1. oo 23. 63 B

ATOM 3971 CA GLU B 196 7. 352 85. 433 20. 414 1. oo 26. 16 B

ATOM 3972 ^"CB GLU B 196 6. 728 84. 075 20. 759 1. oo 29. 46 B

ATOM 3973 CG GLU B 196 6. 516 83. 853 22. 236 1. oo 35. 78 B

ATOM 3974 CD GLU B 196 5. 710 84. 974 22. 854 1. oo 38. 22 B

ATOM 3975 OEl GLU B 196 4. 627 85. 283 22. 306 1. oo 37. 51 B

ATOM 3976 OE2 GLU B 196 6. 154 85. 543 23. 876 1. oo 42. 09 B

ATOM 3977 C GLU B 196 8. 742 85. 527 21. 048 1. oo 25. 16 B ATOM 3978 0 GLU B 196 8.860 85.751 22.256 1.00 26.39 B

ATOM 3979 N VAL B 197 9 .784 85 .368 20 .238 1 .00 21 .42 B

ATOM 3980 CA VAL B 197 11 .162 85 .380 20 .735 1 .00 20 .54 B

ATOM 3981 CB VAL B 197 11 .852 84 .033 20 .416 1 .00 19 .43 B

ATOM 3982 CGI VAL B 197 13 .252 83 .982 21 .039 1 .00 19 .56 B

ATOM 3983 CG2 VAL B 197 10 .981 82 .880 20 .939 1 .00 20 .58 B

ATOM 3984 C VAL B 197 11 .989 86 .508 20 .127 1 .00 20 .41 B

ATOM 3985 O VAL B 197 12 .406 86 .424 18 .984 1 .00 20 .41 B

ATOM 3986 N PRO B 198 12 .251 87 .572 20 .903 1 .00 21 .59 B

ATOM 3987 CD PRO B 198 11 .871 87 .757 22 .313 1 .00 22 .98 B

ATOM 3988 CA PRO B 198 13 .037 88 .714 20 .409 1 .00 22 .80 B

ATOM 3989 CB PRO B 198 13 .214 89 .581 21 .658 1 .00 22 .14 B

ATOM 3990 CG PRO B 198 11 .996 89 .257 22 .478 1 .00 26 .60 B

ATOM 3991 C PRO B 198 14 .377 88 .318 19 .803 1 .00 22 .46 B

ATOM 3992 O PRO B 198 14 .821 88 .905 18 .813 1 .00 22 .42 B

ATOM 3993 N GLU B 199 15 .023 87 .320 20 .402 1 .00 21 .41 B

ATOM 3994 CA GLU B 199 16 .319 86 .856 19 .919 1 .00 22 .13 B

ATOM 3995 CB GLU B 199 16 .939 85 .870 20 .919 1 .00 23 .07 B

ATOM 3996 CG GLU B 199 17 .398 86 .545 22 .203 1 .00 26 .38 B

ATOM 3997 CD GLU B 199 16 .337 86 .557 23 .288 1 .00 29 .15 B

ATOM 3998 OEl GLU B 199 15 .140 86 .355 22 .983 1 .00 27 .28 B

ATOM 3999 OE2 GLU B 199 16 .707 86 .782 24 .463 1 .00 29 .47 B

ATOM 4000 C GLU B 199 16 .264 86 .227 18 .531 1 .00 20 .37 B

ATOM 4001 O GLU B 199 17 .229 86 .300 17 .774 1. .00 19 .49 B

ATOM 4002 N ILE B 200 15 .142 85 .600 18 .200 1 .00 21 .84 B

ATOM 4003 CA ILE B 200 14 .994 85. .009 16. .874 1. .00 21 .12 B

ATOM 4004 CB ILE B 200 13 .874 83. .951 16, .859 1, .00 22 .33 B

ATOM 4005 CG2 ILE B 200 13, .554 83. ,541 15, .420 1. .00 22 .49 B

ATOM 4006 CGI ILE B 200 14, .320 82. .719 17. .657 1. .00 22 .32 B

ATOM 4007 GDI ILE B 200 13, .229 81. .660 17. .817 1. .00 22 .08 B

ATOM 4008 C ILE B 200 14, .666 86. .138 15. .890 1. .00 21, .94 B

ATOM 4009 O ILE B 200 15, .182 86. .182 14. .770 1. .00 21, .20 B

ATOM 4010 N ALA B 201 13. .824 87. .069 16. .323 1. .00 22, .18 B

ATOM 4011 CA ALA B 201 13. .454 88. ,190 15. .467 1. .00 24, .96 B

ATOM 4012 CB ALA B 201 12. .447 89. ,089 16. .183 1. .00 24, .43 B

ATOM 4013 C ALA B 201 14. .696 88. ,998 15. .070 1. .00 23 , .79 B

ATOM 4014 O ALA B 201 14. .831 89. ,392 13. .909 1. ,oo 25. ,54 B

ATOM 4015 N ASP B 202 15. .614 89. ,223 16. ,011 1. ,oo 24. .00 B

ATOM 4016 CA ASP B 202 16. .799 90. 016 15. ,684 1. ,oo 23. ,28 B

ATOM 4017 CB ASP B 202 17. .215 90. ,923 16. ,858 1. ,oo 24. ,71 B

ATOM 4018 CG ASP B 202 17. .764 90. .158 18. ,060 1. ,oo 27. ,26 B

ATOM 4019 ODl ASP B 202 18. ,427 89. 118 17. ,883 1. .00 30. .09 B

ATOM 4020 OD2 ASP B 202 17. ,553 90. 628 19. ,198 1. .00 30. ,24 B

ATOM 4021 C ASP B 202 18. ,009 89. 248 15. .164 1. oo 23. .90 B

ATOM 4022 O ASP B 202 19. ,058 89. 835 14. 924 1. oo 23. .65 B

ATOM 4023 N GLY B 203 17. ,864 87. 940 14. 970 1. oo 22. .83 B

ATOM 4024 CA GLY B 203 18. ,970 87. 161 14. 441 1. oo 22. .09 B

ATOM 4025 C GLY B 203 20. 003 86. 642 15. 429 1. oo 23. 72 B

ATOM 4026 O GLY B 203 20. 994 86. 049 15. 010 1. oo 24. 31 B

ATOM 4027 N SER B 204 19. 795 86. 866 16. 724 1. oo 22. 54 B

ATOM 4028 CA SER B 204 20. 734 86. 370 17. 739 1. oo 23. 74 B

ATOM 4029 CB SER B 204 20. 412 86. 985 19. 098 1. oo 24. 72 B

ATOM 4030 OG SER B 204 20. 587 88. 386 19. 051 1. oo 30. 84 B

ATOM 4031 C SER B 204 20. 647 84. 842 17. 837 1. oo 23. 23 B

ATOM 4032 O SER B 204 21. 624 84. 160 18. 153 1. oo 23. 71 B

ATOM 4033 N VAL B 205 19. 454 84. 325 17. 587 1. oo 22. 38 B

ATOM 4034 CA VAL B 205 19. 195 82. 890 17. 595 1. oo 22. 79 B

ATOM 4035 CB VAL B 205 18. 210 82. 505 18. 712 1. oo 23. 25 B

ATOM 4036 CGI VAL B 205 17. 763 81. 053 18. 535 1. oo 22. 62 B

ATOM 4037 CG2 VAL B 205 18. 871 82. 684 20. 070 1. oo 22. 80 B

ATOM 4038 C VAL B 205 18. 573 82. 552 16. 250 1. oo 23. 41 B ATOM 4039 O VAL B 205 17.726 83.294 15.755 1.00 23.41 B

ATOM 4040 N GLU B 206 18 .985 81 .436 15 .661 1 .00 23 .13 B

ATOM 4041 CA GLU B 206 18 .452 81 .018 14 .371 1 .00 24 .57 B

ATOM 4042 CB GLU B 206 19 .579 80 .823 13 .351 1 .00 25 .83 B

ATOM 4043 CG GLU B 206 20 .488 82 .014 13 .117 1 .00 30 .80 B

ATOM 4044 CD GLU B 206 21 .572 81 .709 12 .087 1 .00 33 .79 B

ATOM 4045 OEl GLU B 206 21 .827 80 .501 11 .835 1 .00 34 .53 B

ATOM 4046 OE2 GLU B 206 22 .175 82 .663 11 .543 1 .00 29 .43 B

ATOM 4047 C GLU B 206 17 .717 79 .690 14 .491 1 .00 25 .28 B

ATOM 4048 O GLU B 206 18 .115 78 .826 15 .271 1 .00 24 .02 B

ATOM 4049 N ILE B 207 16 .643 79 .537 13 .723 1 .00 24 .98 B

ATOM 4050 CA ILE B 207 15 .912 78 .278 13 .697 1 .00 25 .22 B

ATOM 4051 CB ILE B 207 14 .394 78 .470 13 .503 1 .00 26 .96 B

ATOM 4052 CG2 ILE B 207 13 .747 77 .120 13 .189 1 .00 26 .84 B

ATOM 4053 CGI ILE B 207 13 .769 79 .059 14 .771 1 .00 27 .78 B

ATOM 4054 GDI ILE B 207 12 .246 79 .221 14 .713 1 .00 30 .22 B

ATOM 4055 C ILE B 207 16 .501 77 .597 12 .467 1 .00 25 .61 B

ATOM 4056 O ILE B 207 16 .330 78 .063 11 .338 1 .00 25 .84 B

ATOM 4057 N VAL B 208 17 .215 76 .504 12 .696 1 .00 22 .52 B

ATOM 4058 CA VAL B 208 17 .884 75 .776 11 .631 1 .00 24 .57 B

ATOM 4059 CB VAL B 208 19 .115 75 .019 12 .200 1 .00 25 .36 B

ATOM 4060 CGI VAL B 208 19 .884 74 .335 11 .081 1 .00 30 .81 B

ATOM 4061 CG2 VAL B 208 20 .012 75 .989 12 .947 1. .00 27 .41 B

ATOM 4062 C VAL B 208 16 .977 74 .789 10 .913 1, .00 22 .87 B

ATOM 4063 O VAL B 208 17. .122 74 .560 9 .710 1. .00 24 .97 B

ATOM 4064 N ALA B 209 16. .031 74, .209 11 .638 1. .00 20 .12 B

ATOM 4065 CA ALA B 209 15. .141 73, .239 11 .027 1, .00 21. .03 B

ATOM 4066 CB ALA B 209 15, .842 71, .874 10 .943 1. .00 22. .82 B

ATOM 4067 C ALA B 209 13. .859 73, .105 11 .816 1. .00 20. .82 B

ATOM 4068 O ALA B 209 13. .820 73, .416 13, .007 1. .00 19. .52 B

ATOM 4069 N VAL B 210 12. .813 72. .654 11. .134 1. .00 20. .18 B

ATOM 4070 CA VAL B 210 11. .522 72. .422 11. .765 1. .00 21, .77 B

ATOM 4071 CB VAL B 210 10. .530 73. .582 11. .509 1. .00 23. .09 B

ATOM 4072 CGI VAL B 210 9. .158 73. .229 12, .094 1. ,oo 24. .56 B

ATOM 4073 CG2 VAL B 210 11. .052 74. .857 12. .147 1. ,oo 24. .81 B

ATOM 4074 C VAL B 210 10. ,925 71. .148 11. ,185 1. .00 22. .64 B

ATOM 4075 O VAL B 210 11. ,065 70. ,882 9. ,989 1. ,oo 24. .13 B

ATOM 4076 N ALA B 211 10. ,283 70. ,358 12. ,038 1. .00 20. .72 B

ATOM 4077 CA ALA B 211 9. ,615 69. ,133 11. ,610 1. oo 21. .18 B

ATOM 4078 CB ALA B 211 10. 386 67. 898 12. ,073 1. ,oo 20. ,72 B

ATOM 4079 C ALA B 211 8. 265 69. 207 12. ,303 1. oo 20. ,46 B

ATOM 4080 O ALA B 211 8. 192 69. 487 13. ,501 1. oo 21. ,28 B

ATOM 4081 N ARG B 212 7. 191 68. 970 11. ,562 1. oo 19. ,21 B

ATOM 4082 CA ARG B 212 5. 873 69. 070 12. 160 1. oo 20. ,88 B

ATOM 4083 CB ARG B 212 5. 285 70. 450 11. 819 1. oo 23. 39 B

ATOM 4084' CG ARG B 212 3. 936 70. 710 12. 458 1. oo 26. 54 B

ATOM 4085 CD ARG B 212 3. 443 72. 134 12. 219 1. oo 26. 36 B

ATOM 4086 NE ARG B 212 2. 258 72. 366 13. 030 1. oo 26. 08 B

ATOM 4087 CZ ARG B 212 1. 329 73. 276 12. 772 1. oo 25. 95 B

ATOM 4088 NHl ARG B 212 1. 441 74. 066 11. 711 1. oo 22. 45 B

ATOM 4089 NH2 ARG B 212 o. 274 73. 372 13. 570 1. oo 25. 22 B

ATOM 4090 C ARG B 212 4. 859 68. 003 11. 770 1. oo 22. 18 B

ATOM 4091 O ARG B 212 4. 791 67. 585 10. 619 1. oo 23. 25 B

ATOM 4092 N GLU B 213 4. 082 67. 578 12. 759 1. oo 23. 53 B

ATOM 4093 CA GLU B 213 2. 979 66. 641 12. 574 1. oo 26. 68 B

ATOM 4094 CB GLU B 213 3. 172 65. 364 13. 397 1. o.o 34. 16 B

ATOM 4095 CG GLU B 213 4. 018 64. 311 12. 703 1. oo 41. 24 B

ATOM 4096 CD GLU B 213 3. 995 62. 981 13. 434 1. oo 47. 56 B

ATOM 4097 OEl GLU B 213 4. 600 62. 889 14. 524 1. oo 51. 74 B

ATOM 4098 OE2 GLU B 213 3. 356 62. 032 12. 924 1. oo 49. 60 B

ATOM 4099 C GLU B 213 1. 846 67. 481 13. 151 1. oo 27. 53 B ATOM 4100 O GLU B 213 1.545 67.418 14.341 1.00 24.69 B

ATOM 4101 N ALA B 214 1 .254 68 .305 12 .291 1 .00 26 .64 B

ATOM 4102 CA ALA B 214 0 .202 69 .225 12 .690 1 .00 26 .47 B

ATOM 4103 CB ALA B 214 -0 .394 69 .892 11 .454 1 .00 27 .12 B

ATOM 4104 C ALA B 214 -0 .898 68 .607 13 .534 1 .00 26 .93 B

ATOM 4105 O ALA B 214 -1 .491 67 .600 13 .157 1 .00 28 .40 B

ATOM 4106 N GLY B 215 -1 .168 69 .235 14 .673 1 .00 27 .23 B

ATOM 4107 CA GLY B 215 -2 .201 68 .753 15 .574 1 .00 29 .40 B

ATOM 4108 C GLY B 215 -1 .665 67 .728 16 .554 1 .00 31 .38 B

ATOM 4109 O. GLY B 215 -2 .385 67 .267 17 .447 1 .00 32 .26 B

ATOM 4110 N HIS B 216 -o .397 67 .372 16 .392 1 .00 29 .33 B

ATOM 4111 CA HIS B 216 o .225 66 .383 17 .259 1 .00 30 .11 B

ATOM 4112 CB HIS B 216 o .545 65 .119 16 .462 1 .00 35 .08 B

ATOM 4113 CG HIS B 216 -o .668 64 .432 15 .913 1 .00 39 .68 B

ATOM 4114 CD2 HIS B 216 -1 .049 64 .175 14 .641 1 .00 43 .21 B

ATOM 4115 NDl HIS B 216 -1 .663 63 .926 16 .720 1 .00 43 .39 B

ATOM 4116 CEl HIS B 216 -2 .606 63 .386 15 .969 1 .00 43 .51 B

ATOM 4117 NE2 HIS B 216 -2 .258 63 .523 14 .703 1. .00 44 .88 B

ATOM 4118 C HIS B 216 1 .488 66 .890 17 .940 1 .00 29 .15 B

ATOM 4119 O HIS B 216 1 .514 67 .063 19 .155 1 .00 31 .20 B

ATOM 4120 N ARG B 217 2 .534 67 .144 17 .163 1 .00 24 .55 B

ATOM 4121 CA ARG B 217 3 .778 67 .606 17 .754 1, .00 24 .19 B

ATOM 4122 CB ARG B 217 4 .461 66 .428 18 .460 1, .00 25 .16 B

ATOM 4123 CG ARG B 217 5 .576 66 .819 19 .418 1. .00 30 .07 B

ATOM 4124 CD ARG B 217 6 .231 65, .590 20 .027 1, .00 33 .57 B

ATOM 4125 NE ARG B 217 7 .000 65, .922 21, .223 1, .00 37 .83 B

ATOM 4126 CZ ARG B 217 6 .534 65, .826 22, .465 1, .00 36 .99 B

ATOM 4127 NHl ARG B 217 5. .295 65, .401 22. .682 1, .00 37 .97 B

ATOM 4128 NH2 ARG B 217 7. .310 66. .153 23, .489 1. .00 34 .97 B

ATOM 4129 C ARG B 217 4. .728 68. .179 16, .708 1. .00 20. .82 B

ATOM 4130 O ARG B 217 4. .693 67. .790 15, ,541 1. .00 21. .78 B

ATOM 4131 N SER B 218 5. .569 69. .112 17. ,136 1. .00 19. .06 B

ATOM 4132 CA SER B 218 6, .561 69. .713 16. .256 1. .00 19, .47 B

ATOM 4133 CB SER B 218 6. .212 71. .164 15. .935 1. .00 22. .67 B

ATOM 4134 OG SER B 218 5. ,080 71. .265 15. .106 1. ,00 25. .42 B

ATOM 4135 C SER B 218 7. .899 69. .710 16. .985 1. ,oo 20. .47 B

ATOM 4136 O SER B 218 7. .938 69. .651 18. .216 1. ,oo 20. .31 B

ATOM 4137 N LYS B 219 8. .984 69. .767 16. ,220 1. .00 18. .53 B

ATOM 4138 CA LYS B 219 10. .321 69. .858 16. ,785 1. ,00 19. .31 B

ATOM 4139 CB LYS B 219 11. ,143 68. ,590 16. ,525 1. 00 19. .27 B

ATOM 4140 CG LYS B 219 10. ,718 67. ,372 17. ,320 1. 00 19. .06 B

ATOM 4141 CD LYS B 219 11. ,703 66. ,226 17. ,126 1. 00 19. .54 B

ATOM 4142 CE LYS B 219 11. ,266 64. 979 17. 891 1. oo 22. .79 B

ATOM 4143 NZ LYS B 219 11. ,538 65. 100 19. ,357 1. oo 20. .59 B

ATOM 4144 C LYS B 219 10. ,980 71. 022 16. 045 1. oo 20. ,88 B

ATOM 4145 O LYS B 219 10. 762 71. 187 14. 846 1. oo 20. ,05 B

ATOM 4146 N ILE B 220 11. 733 71. 849 16. 767 1. oo 19. ,88 ^• B

ATOM 4147 CA ILE B 220 12. 460 72. 944 16. 146 1. oo 20. 62 B

ATOM 4148 CB ILE B 220 11. 874 74. 339 16. 505 1. oo 23. 41 B

ATOM 4149 CG2 ILE B 220 10. 450 74. 445 16. 002 1. oo 27. 25 B

ATOM 4150 CGI ILE B 220 11. 915 74. 565 18. 018 1. oo 27. 09 B

ATOM 4151 CD1 ILE B 220 11. 791 76. 028 18. 411 1. oo 32. 14 B

ATOM 4152 C ILE B 220 13. 912 72. 876 16. 615 1. oo 19. 79 B

ATOM 4153 O ILE B 220 14. 180 72. 680 17. 798 1. 00 23. 85 B

ATOM 4154 N ALA B 221 ^• 14. 845 73. 033 15. 683 1. 00 19. 05 B

ATOM 4155 CA ALA B 221 16. 265 72. 992 16. 006 1. 00 19. 94 B

ATOM 4156 CB ALA B 221 17. 022 72. 124 14. 983 1. 00 20. 31 B

ATOM 4157 C ALA B 221 16. 797 74. 422 15. 973 1. 00 20. 75 B

ATOM 4158 O ALA B 221 16. 645 75. 127 14. 968 1. 00 20. 72 B

ATOM 4159 N VAL B 222 17. 410 74. 853 17. 070 1. 00 19. 27 B

ATOM 4160 CA VAL B 222 17. 940 76. 214 17. 145 1. 00 21. 94 B ATOM 4161 CB VAL B 222 17.188 77.037 18.221 1.00 21.72 B

ATOM 4162 CGI VAL B 222 15 .691 77 .093 17 .897 1 .00 23 .39 B

ATOM 4163 CG2 VAL B 222 17 .421 76 .428 19 .610 1 .00 24 .61 B

ATOM 4164 C VAL B 222 19 .440 76 .305 17 .434 1 .00 22 .70 B

ATOM 4165 O VAL B 222 20 .057 75 .375 17 .957 1 .00 21 .20 B

ATOM 4166 N ARG B 223 20 .027 77 .440 17 .074 1 .00 23 .18 B

ATOM 4167 CA ARG B 223 21 .443 77 .677 17 .332 1 .00 25 .74 B

ATOM 4168 CB ARG B 223 22 .305 77 .273 16 .131 1 .00 28 .38 B

ATOM 4169 CG ARG B 223 22 .060 78 .081 14 .879 1 .00 30 .80 B

ATOM 4170 CD ARG B 223 23 .006 77 .650 13 .767 1 .00 34 .98 B

ATOM 4171 NE ARG B 223 24 .397 77 .895 14 .133 1 .00 35 .80 B

ATOM 4172 CZ ARG B 223 24 .955 79 .101 14 .157 1 .00 39 .28 B

ATOM 4173 NHl ARG B 223 24 .238 80 .169 13 .828 1 .00 39 .12 B

ATOM 4174 NH2 ARG B 223 26 .224 79 .244 14 .523 1 .00 38 .50 B

ATOM 4175 C ARG B 223 21 .640 79 .157 17 .635 1 .00 26 .22 B

ATOM 4176 O ARG B 223 20 .926 80 .016 17 .105 1 .00 24 .13 B

ATOM 4177 N SER B 224 22 .604 79 .445 18 .498 1 .00 24 .93 B

ATOM 4178 CA SER B 224 22 .905 80 .815 18 .887 1 .00 26 .49 B

ATOM 4179 CB SER B 224. 23 .292 80 .856 20 .363 1. .00 27 .20 B

ATOM 4180 OG SER B 224 23 .864 82 .109 20 .698 1 .00 28 .92 B

ATOM 4181 C SER B 224 24 .039 81 .421 18 .065 1 .00 28 .59 B

ATOM 4182 O SER B 224 25 .008 80 .740 17 .731 1, .00 26 .90 B

ATOM 4183 N ASN B 225 23 .908 82 .707 17 .749 1 .00 28 .69 B

ATOM 4184 CA ASN B 225 24 .936 83 .432 17 .006 1. .00 30 .85 B

ATOM 4185 CB ASN B 225 24 .318 84, .323 15, .919 1. .00 31. .79 B

ATOM 4186 CG ASN B 225 ^■ 23 .885 83 .550 14 .701 1. .00 34 .66 B

ATOM 4187 ODl ASN B 225 24 .597 82 .663 14, .227 1. .00 37 .00 B

ATOM 4188 ND2 ASN B 225 22. .720 83, .900 14, .165 1. .00 34. .18 B

ATOM 4189 C ASN B 225 25 .697 84 .329 17, .970 1, .00 31. .52 B

ATOM 4190 O ASN B 225 26, .597 85, .060 17, .560 1. .00 32, .85 B

ATOM 4191 N VAL B 226 25. .332 84. .273 19, .248 1. .00 31. .41 B

ATOM 4192 CA VAL B 226 25. .963 85. .111 20, .268 1. .00 32. .12 B

ATOM 4193 CB VAL B 226 24, .937 86. .087 20, ,885 1. .00 30. .92 B

ATOM 4194 CGI VAL B 226 25. .624 87. .009 21. .877 1. ,oo 33. .24 B

ATOM 4195 CG2 VAL B 226 24. .255 86. .895 19. ,790 1. .00 31. .37 B

ATOM 4196 C VAL B 226 26. .591 84. .300 21. .400 1. ,oo 32. .65 B

ATOM 4197 O VAL B 226 25. .921 83. ,502 22. .059 1. .00 30. .66 B

ATOM 4198. N GLY B 227 27. .880 84. .514 21. .635 1. .00 33. .57 B

ATOM 4199 CA GLY B 227 28. .549 83. .794 22. .704 1. ,00 34. .74 B

ATOM 4200 C GLY B 227 27. .891 84. ^049 24. ,049 1. oo 35. ,00 B

ATOM 4201 O GLY B 227 27. .607 85. .192 24. .405 1. .00 36. .68 B

ATOM 4202 N GLY B 228 27. .635 82. .981 24. ,797 1. oo 35. ,17 B

ATOM 4203 CA GLY B 228 27. ,020 83. .131 26. ,104 1. oo 34. ,89 B

ATOM 4204 C GLY B 228 25. .503 83. ,150 26. ,086 1. oo 35. ,13 B

ATOM 4205 O GLY B 228 24. ,864 83. ,140 27. ,137 1. oo 34. ,90 B

ATOM 4206 N LEU B 229 24. ,918 83. 179 24. 896 1. oo 33. 11 B

ATOM 4207 CA LEU B 229 23. ,468 83. ,194 24. ,775 1. oo 31. 95 B

ATOM 4208 CB LEU B 229 23. ,051 84. 029 23. .562 1. oo 31. 07 B

ATOM 4209 CG LEU B 229 21. 549 84. 056 23. 262 1. oo 33. 44 B

ATOM 4210 CD1 LEU B 229 20. 791 84. 652 24. .439 1. oo 34. 12 B

ATOM 4211 CD2 LEU B 229 21. 305 84. 873 22. ooi 1. oo 34. 61 B

ATOM 4212 C LEU B 229 22. 915 81. 776 24. 646 1. oo 31. 53 B

ATOM 4213 O LEU B 229 23. 257 81. 047 23. 715 1. oo 30. 89 B

ATOM 4214 N ASN B 230 22. 063 81. 393 25. 594 1. oo 30. 64 B

ATOM 4215 CA ASN B 230 21. 439 80. 066 25. 614 1. oo 30. 86 B

ATOM 4216 CB ASN B 230 20. 905 79. 778 27. 023 1. oo 32. 33 B

ATOM 4217 CG ASN B 230 20. 338 78. 371 27. 170 1. oo 35. 46 B

ATOM 4218 ODl ASN B 230 19. 793 77. 806 26. 228 1. oo 34. 48 B

ATOM 4219 ND2 ASN B 230 20. 455 77. 811 28. 367 1. oo 38. 64 B

ATOM 4220 C ASN B 230 20. 275 80. 088 24. 621 1. oo 28. 21 B

ATOM 4221 O ASN B 230 19. 222 80. 636 24. 932 1. 00 28. 22 ^• B ATOM 4222 N ALA B 231 20.457 79.488 23.444 1.00 26.78 B

ATOM 4223 CA ALA B 231 19 .414 79 .488 22 .411 1 .00 25 .43 B

ATOM 4224 CB ALA B 231 19 .928 78 .811 21 .136 1 .00 25 .34 B

ATOM 4225 C ALA B 231 18 .115 78 .830 22 .843 1 .00 25 .40 B

ATOM 4226 O ALA B 231 17 .031 79 .385 22 .666 1 .00 24 .56 B

ATOM 4227 N LYS B 232 18 .224 77 .630 23 .395 1 .00 25 .70 B

ATOM 4228 CA LYS B 232 17 .045 76 .905 23 .831 1 .00 26 .80 B

ATOM 4229 CB .LYS B 232 17 .464 75 .516 24 .324 1 .00 29 .75 B

ATOM 4230 CG LYS B 232 16 .319 74 .571 24 .606 1 .00 35 .60 B

ATOM 4231 CD LYS B 232 16 .826 73 .131 24 .668 1 .00 38 .45 B

ATOM 4232 CE LYS B 232 17 .940 72 .976 25 .692 1 .00 40 .13 B

ATOM 4233 NZ LYS B 232 18 .397 71 .563 25 .799 1 .00 43 .65 B

ATOM 4234 C LYS B 232 16 .312 77 .688 24 .923 1 .00 24 .96 B

ATOM 4235 O LYS B 232 15 .091 77 .794 24 .894 1 .00 24 .79 B

ATOM 4236 N GLY B 233 17 .063 78 .260 25 .862 1 .00 25 .27 B

ATOM 4237 CA GLY B 233 16 .461 79 .029 26 .941 1 .00 24 .25 B

ATOM 4238 C GLY B 233 15 .696 80 .248 26 .449 1 .00 24 .64 B

ATOM 4239 O GLY B 233 14 .678 80 .628 27 .031 1 .00 26 .03 B

ATOM 4240 N ALA B 234 16 .188 80 .862 25 .377 1 .00 22 .48 B

ATOM 4241 CA ALA B 234 15 .541 82 .033 24 .798 1 .00 21 .66 B

ATOM 4242 CB ALA B 234 16 .457 82 .665 23 .756 1, .00 21 .66 B

ATOM 4243 C ALA B 234 14 .205 81 .667 24 .159 1 .00 19 .09 B

ATOM 4244 O ALA B 234 13 .256 82 .432 24 .223 1 .00 20 .45 B

ATOM 4245 N CYS B 235 14 .133 80, .492 23. .537 1, .00 19, .18 B

ATOM 4246 CA CYS B 235 12 .897 80, .054 22 .894 1, .00 19, .61 B

ATOM 4247 CB CYS B 235 13 .193 78, .897 21 .936 1, .00 19, .29 B

ATOM 4248 SG CYS B 235 14 .347 79 .349 20 .610 1, .00 28 .54 B

ATOM 4249 C CYS B 235 11, .831 79, .620 23, .895 1. .00 20, .31 B

ATOM 4250 O CYS B 235 10, .639 79, .718 23, .631 1. .00 19. .99 B

ATOM 4251 N ILE B 236 12, .266 79, .129 25, .044 1. .00 20, .06 B

ATOM 4252 CA ILE B 236- 11, .322 78, .686 26, .067 1. .00 20, .89 B

ATOM 4253 CB ILE B 236 12. .016 77. .691 27. .025 1. .00 20. .84 B

ATOM 4254 CG2 ILE B 236 11. .086 77. ,330 28. .189 1. .00 22. .44 B

ATOM 4255 CGI ILE B 236 12. .405 76. .433 26. .246 1. .00 23. .23 B

ATOM 4256 CDl ILE B 236 13. ,303 75. ,467 27. .028 1. ,00 29. ,93 B

ATOM 4257 C ILE B 236 10. ,775 79. ,884 26. .852 1. ,00 22. ,24 B

ATOM 4258 O ILE B 236 9. ,573 79. ,985 27. .093 1. ,00 23. ,00 B

ATOM 4259 N GLY B 237 11. ,659 80. ,807 27. .220 1. ,00 23. ,87 B

ATOM 4260 CA GLY B 237 11. 235 81. ,967 27. ,990 1. 00 26. ,84 B

ATOM 4261 C GLY B 237 11. ,538 81. ,754 29. ,468 1. oo 28. ,19 B

ATOM 4262 O GLY B 237 11. ,496 80. ,624 29. .943 1. oo 27. ,97 B

ATOM 4263 N PRO B 238 11. 829 82. 825 30. 227 1. oo 29. 67 B

ATOM 4264 CD PRO B 238 11. 792 84. 228 29. ,780 1. oo 30. 97 B

ATOM 4265 CA PRO B 238 12. 145 82. 740 31. ,661 1. oo 29. 81 B

ATOM 4266 CB PRO B 238 12. 361 84. 205 32. ,059 1. 00 30. 86 B

ATOM 4267 CG PRO B 238 11. 524 84. 964 31. 066 1. 00 30. 76 B

ATOM 4268 C PRO B 238 11. 112 82. 031 32. 539 1. 00 29. 72 B

ATOM 4269 O PRO B 238 11. 459 81. 460 33. 578 1. 00 30. 37 B

ATOM 4270 N MET B 239 9. 852 82. 061 32. 119 1.oo 27. 92 B

ATOM 4271 CA MET B 239 8. 775 81. 418 32. 863 1. oo 26. 46 B

ATOM 4272 CB MET B 239 7. 782 82. 484 33. 345 1.oo 27. 57 B

ATOM 4273 CG MET B 239 6. 956 82. 100 34. 554 1.oo 28. 71 B

ATOM 4274 SD MET B 239 5. 822 83. 432 35. 029 1.oo 29. 52 B

ATOM 4275 CE MET B 239 6. 965 84. 751 35. 448 1.oo 27. 43 B

ATOM 4276 C MET B 239 8. 079 80. 424 31. 929 1. 00 26. 29 B

ATOM 4277 O MET B 239 6. 932 80. 023 32. 157 1. oo 26. 34 B

ATOM 4278 N GLY B 240 8. 792 80. 045 30. 867 1. oo 25. 21 B

ATOM 4279 CA GLY B 240 8. 266 79. 118 29. 879 1. 00 23. 14 B

ATOM 4280 C GLY B 240 7. 119 79. 695 29. 062 1. 00 23. 83 B

ATOM 4281 O GLY B 240 6. 455 78. 975 28. 316 1. 00 24. 89 B

ATOM 4282 N GLN B 241 6. 898 81. ooo 29. 177 1. oo 23. 03 B ATOM 4283 CA GLN B 241 5.788 81.636 28.476 1.00 24.30 B

ATOM 4284 CB GLN B 241 5 .490 83 .019 29 .074 1 .00 26 .82 B

ATOM 4285 CG GLN B 241 6 .578 84 .065 28 .848 1 .00 27 .89 B

ATOM 4286 CD GLN B 241 7 .629 84 .080 29 .944 1 .00 28 .56 B

ATOM 4287 OEl GLN B 241 8 .387 83 .127 30 .109 1 .00 28 .63 B

ATOM 4288 NE2 GLN B 241 7 .662 85 .169 30 .716 1 .00 26 .66 B

ATOM 4289 C GLN B 241 5 .918 81 .771 26 .962 1 .00 23 .96 B

ATOM 4290 O GLN B 241 4 .909 81 .832 26 .264 1 .00 24 .53 B

ATOM 4291 N ARG B 242 7 .138 81 .825 26 .444 1 .00 22 .85 B

ATOM 4292 CA ARG B 242 7 .296 81 .980 25 .001 1 .00 21 .96 B

ATOM 4293 CB ARG B 242 8 .744 82 .317 24 .658 1 .00 20 .73 B

ATOM 4294 CG ARG B 242 9 .169 83 .637 25 .280 1 .00 20 .97 B

ATOM 4295 CD ARG B 242 10 .624 83 .955 25 .032 1 .00 22 .96 B

ATOM 4296 NE ARG B 242 10 .946 85 .284 25 .549 ^• 1 .00 25 .06 B

ATOM 4297 CZ ARG B 242 12 .143 85 .847 25 .460 1 .00 26 .30 B

ATOM 4298 NHl ARG B 242 13 .142 85 .191 24 .883 1 .00 24 .80 B

ATOM 4299 NH2 ARG B 242 12 .330 87 .082 25 .918 1 .00 27 .07 B

ATOM 4300 C ARG B 242 6 .832 80 .735 24 .256 1 .00 22 .93 B

ATOM 4301 O ARG B 242 5 .963 80 .823 23 .391 1 .00 22 .62 B

ATOM 4302 N VAL B 243 7 .386 79 .577 24 .600 1 .00 23 .30 B

ATOM 4303 CA VAL B 243 6 .972 78 .346 23 .935 1 .00 23 .22 B

ATOM 4304 CB VAL B 243 7 .828 77 .129 24 .397 1 .00 22 .35 B

ATOM 4305 CGI VAL B 243 7 .711 76 .926 25 .911 1 .00 24 .18 B

ATOM 4306 CG2 VAL B 243 7 .393 75 .872 23 .643 1 .00 23 .95 B

ATOM 4307 C VAL B 243 5 .493 78 .117 24 .241 1, .00 23 .99 B

ATOM 4308 O VAL B 243 4 .731 77 .674 23 .383 1, .00 22 .28 B

ATOM 4309 N ARG B 244 5 .083 78, .457 25 .460 1, .00 23 .40 B

ATOM 4310 CA ARG B 244 3 .689 78 .311 25 .875 1, .00 24 .75 B

ATOM 4311 CB ARG B 244 3 .523 78, .798 27 .314 1, .00 29 .25 B

ATOM 4312 CG ARG B 244 2, .078 78. .849 27, .799 1. .00 33. .95 B

ATOM 4313 CD ARG B 244 1. .943 79. .831 28. .958 o. .00 33. .92 B

ATOM 4314 NE ARG B 244 0. .571 79. .973 29. .443 o. .00 35. .31 B

ATOM 4315 CZ ARG B 244 -0. .085 79. .043 30. .130 o. ,oo 35. .78 B

ATOM 4316 NHl ARG B 244 0. .503 77. .891 30. .420 o. .00 36. .21 B

ATOM 4317 NH2 ARG B 244 -1. .327 79. .268 30. ,536 o. ,00 36. .21 B

ATOM 4318 C ARG B 244 2. .739 79. .101 24. .971 1. .00 24. .48 B

ATOM 4319 O ARG B 244 1. .651 78. .629 24. ,639 1. ,00 22. .07 B

ATOM 4320 N ASN B 245 3. .147 80. .314 24. ,593 1. .00 23. .63 B

ATOM 4321 CA ASN B 245 2. ,327 81. ,162 23. ,726 1. ,oo 25. .10 B

ATOM 4322 CB ASN B 245 2. ,898 82. ,582 23. ,639 1. .00 26. .37 B

ATOM 4323 CG ASN B 245 2. ,668 83. ,385 24. ,915 1. 00 30. .83 B

ATOM 4324 ODl ASN B 245 1. ,754 83. ,090 25. ,687 1. oo 29. .19 B

ATOM 4325 ND2 ASN B 245 3. ,482 84. ,413 25. ,128 1. oo 30. .19 B

ATOM 4326 C ASN B 245 2. 223 80. 576 22. 326 1. oo 23. 65 B

ATOM 4327 O ASN B 245 1. 177 80. 683 21. 685 1. oo 23. 50 B

ATOM 4328 N VAL B 246 3. 309 79. 985 21. 836 1. oo 20. 60 B

ATOM 4329 CA VAL -B 246 3. 265 79. 374 20. 508 1.oo 21. 18 B

ATOM 4330 CB VAL B 246 4. 677 78. 940 20. 016 1.oo 20. 45 B

ATOM 4331 CGI VAL B 246 4. 566 78. 246 18. 642 1. oo 18. 75 B

ATOM 4332 CG2 VAL ^■B 246 5. 576 80. 159 19. 876 1. oo 19. 61 B

ATOM 4333 C VAL B 246 2. 332 78. 162 20. 556 1. oo 20. 98 B

ATOM 4334 O VAL B 246 1. 481 77. 986 19. 680 1. oo 22. 76 B

ATOM 4335 N MET B 247 2. 483 77. 337 21. 589 1. 00 22. 13 B

ATOM 4336 CA MET B 247 1. 645 76. 148 21. 742 1. 00 22. 58 B

ATOM 4337 CB MET B 247 2. 054 75. 368 22. 993 1. 00 23. 17 B

ATOM 4338 CG ^• MET B 247 3. 357 74. 606 22. 829 1. 00 22. 53 B

ATOM 4339 ^' SD MET B 247 3. 866 73. 801 24. 360 1. 00 29. 24 B

ATOM 4340 CE MET B 247 2. 441 72. 711 24. 708 1. 00 28. 20 B

ATOM 4341 C MET B 247 0. 170 76. 522^' 21. 832 1. 00 23. 57 B

ATOM 4342 O MET B 247 -0. 687 75. 859 21. 251 1. 00 22. 67 B

ATOM 4343 N SER B 248 -0. 123 77. 592 22. 561 1. 00 23. 21 B ATOM 4344 CA SER B 248 -1.495 78.035 22.714 1.00 26.26 B

ATOM 4345 CB SER B 248 -1 .560 79 .208 23 .691 1 .00 26 .87 B

ATOM 4346 OG SER B 248 -2 .907 79 .500 24 .016 1 .00 35 .03 B

ATOM 4347 C SER B 248 -2 .109 78 .438 21 .378 1 .00 25 .44 B

ATOM 4348 O SER B 248 -3 .264 78 .114 21 .095 1 .00 25 .17 B

ATOM 4349 N GLU B 249 -1 .341 79 .146 20 .555 1 .00 22 .95 B

ATOM 4350 CA GLU B 249 -1 .843 79 .572 19 .253 1 .00 22 .88 B

ATOM 4351 CB GLU B 249 -o .824 80 .474 18 .551 1 .00 24 .22 B

ATOM 4352 CG GLU B 249 -1 .199 80 .878 17 .122 1 .00 27 .89 B

ATOM 4353 CD GLU B 249 -2 .549 81 .585 17 .037 1 .00 30 .78 B

ATOM 4354 OEl GLU B 249 -2 .757 82 .569 17 .787 1 .00 30 .77 B

ATOM 4355 OE2 GLU B 249 -3 .400 81 .163 16 .216 1 .00 26 .43 B

ATOM 4356 C GLU B 249 -2 .121 78 .347 18 .385 1 .00 23 .76 B

ATOM 4357 O GLU B 249 -3 .028 78 .361 17 .558 1 .00 22 .59 B

ATOM 4358 N LEU B 250 -1 .341 77 .289 18 .593 1 .00 22 .82 B

ATOM 4359 CA LEU B 250 -1 .491 76 .062 17 .816 1 .00 24 .81 B

ATOM 4360 CB LEU B 250 -o .114 75 .467 17 .528 1 .00 25 .33 B

ATOM 4361 CG LEU B 250 o .830 76 .398 16 .759 1 .00 27 .20 B

ATOM 4362 CDl LEU B 250 2 .192 75 .738 16 .603 1 .00 28 .59 B

ATOM 4363 CD2 LEU B 250 o .229 76 .730 15 .395 1 .00 27 .35 B

ATOM 4364 C LEU B 250 -2 .388 75 .017 18 .477 1 .00 27 .01 B

ATOM 4365 O LEU B 250 -2 .212 73 .812 18 .280 1 .00 27 .37 B

ATOM 4366 N SER B 251 -3 .342 75 .485 19 .272 1 .00 27 .14 B

ATOM 4367 CA SER B 251 -4, .304 74, .607 19, .936 1, .00 29 .55 B

ATOM 4368 CB SER B 251 -5, .170 73, .913 18, .880 1, .00 32 .37 B

ATOM 4369 OG SER B 251 -5. .843 74, .860 18. .071 1, .00 39. .48 B

ATOM 4370 C SER B 251 -3. .747 73, .546 20. .886 1, .00 29, .74 B

ATOM 4371 O SER B 251 -4, .328 72, .470 21, .025 1. .00 30, .08 B

ATOM 4372 N GLY B 252 -2, .628 73, .831 21, .536 1. .00 27, .89 B

ATOM 4373 CA GLY B 252 -2, .074 72, .870 22, .470 1. .00 27, .44 B

ATOM 4374 C GLY B 252 -1. .023 71, .922 21. .924 1. .00 27, .40 B

ATOM 4375 O GLY B 252 -o. .503 71, .086 22. .669 1. .00 27, .75 B

ATOM 4376 N GLU B 253 -o. ,705 72. ,046 20. ,638 1. .00 25. .83 B

ATOM 4377 CA GLU B 253 o. .299 71. ,195 20. ,001 1. .00 25. ,30 B

ATOM 4378 CB GLU B 253 o. ,531 71. ,668 18. ,567 1. ,00 26. .85 B

ATOM 4379 CG GLU B 253 1. ,405 70. ,759 17. ,705 1. ,00 27. .20 B

ATOM 4380 CD GLU B 253 1. ,387 71. ,180 16. ,242 1. ,oo 29. .30 B

ATOM 4381 OEl GLU B 253 o. ,280 71. ,291 15. ,671 1. ,oo 27. ,22 B

ATOM 4382 OE2 GLU B 253 2. ,470 71. ,396 15. ,657 1. .00 29. ,77 B

ATOM 4383 C GLU B 253 1. ,609 71. ,270 20. ,788 1. .00 25. ,47 B

ATOM 4384 O GLU B 253 2. 065 72. 357 21. 131 1. oo 26. 05 B

ATOM 4385 N LYS B 254 2. 214 70. 122 21. 077 1. oo 23. 35 B

ATOM 4386 CA LYS B 254 3. 467 70. 111 21. 822 1. oo 23. 60 B

ATOM 4387 CB LYS B 254 3. 663 68. 762 22. 518 1. oo 28. 32 B

ATOM 4388 CG LYS B 254 2. 671 68. 522 23. 651 1. oo 33. 35 B

ATOM 4389 CD LYS B 254 3. 019 67. 278 24. 439 1. oo 39. 29 B

ATOM 4390 CE LYS B 254 2. 093 67. 105 25. 643 1. oo 42. 33 B

ATOM 4391 NZ LYS B 254 2. 530 65. 970 26. 515 1. oo 44. 05 B

ATOM 4392 C LYS B 254 4. 653 70. 417 20. 911 1. oo 22. 55 B

ATOM 4393 0 LYS B 254 4. 633 70. 087 19. 728 1. oo 22. 02 B

ATOM 4394 N ILE B 255 5. 681 71. 052 21. 465 1. oo 20. 56 B

ATOM 4395 CA ILE B 255 6. 869 71. 419 20. 689 1. oo 20. 22 B

ATOM 4396 CB ILE B 255 6. 852 72. 925 20. 353 1. oo 22. 23 B

ATOM 4397 CG2 ILE B 255 8. 084 73. 299 19. 534 1. oo 23. 17 B

ATOM 4398 CGI ILE B 255 5. 570 73. 271 19. 596 1. oo 23. 02 B

ATOM 4399 CDl ILE B 255 5. 376 74. 756 19. 350 1. oo 27. 82 B

ATOM 4400 C ILE B 255 8. 168 71. 132 21. 433 1. oo 21. 65 B

ATOM 4401 O ILE B 255 8. 366 71. 615 22. 549 1. oo 21. 41 B

ATOM 4402 N ASP B 256 9. 051 70. 355 20. 811 1. oo 20. 39 B

ATOM 4403 CA ASP B 256 10. 342 70. 056 21. 415 1. oo 22. 69 B

ATOM 4404 CB ASP B 256 10. 810 68. 636 21. 079 1. oo 21. 64 B ATOM 4405 CG ASP B 256 9.817 67.568 21.488 1.00 26.28 B

ATOM 4406 ODl ASP B 256 9 .242 67 .673 22 .590 1 .00 28 .25 B

ATOM 4407 OD2 ASP B 256 9 .631 66 .605 20 .708 1 .00 25 .60 B

ATOM 4408 C ASP B 256 11 .350 71 .039 20 .825 1 .00 22 .31 B

ATOM 4409 O ASP B 256 11 .515 71 .097 19 .608 1 .00 21 .57 B

ATOM 4410 N ILE B 257 12 .003 71 .818 21 .683 1 .00 20 .78 B

ATOM 4411 CA ILE B 257 13 .018 72 .761 21 .230 1 .00 20 .43 B

ATOM 4412 CB ILE B 257 12 .980 74 .056 22 .069 1 .00 21 .54 B

ATOM 4413 CG2 ILE B 257 14 .018 75 .057 21 .539 1 .00 21 .88 B

ATOM 4414 CGI ILE B 257 11 .581 74 .675 21 .950 1 .00 23 .28 B

ATOM 4415 CDl ILE B 257 11 .364 75 .929 22 .793 1 .00 25 .18 B

ATOM 4416 C . ILE B 257 14 .350 72 .028 21 .374 1 .00 20 .38 B

ATOM 4417 O ILE B 257 14 .770 71 .675 22 .476 1 .00 20 .16 B

ATOM 4418 N ILE B 258 14 .990 71 .795 20 .235 1 .00 21 .79 B

ATOM 4419 CA ILE B 258 16 .228 71 .032 20 .135 1 .00 23 .87 B

ATOM 4420 CB ILE B 258 16 .098 69 .992 18 .980 1 .00 25 .16 B

ATOM 4421 CG2 ILE B 258 17 .291 69 .052 18 .960 1 .00 29 .80 B

ATOM 4422 CGI ILE B 258 14 .781 69 .234 19 .117 1 .00 28 .47 B

ATOM 4423 CDl ILE B 258 14 .620 68 .527 20 .434 1 .00 27 .06 B

ATOM 4424 C ILE B 258 17 .447 71 .877 19 .813 1 .00 23 .21 B

ATOM 4425 O ILE B 258 17 .357 72 .825 19 .044 1 .00 22 .11 B

ATOM 4426 N ASP B 259 18 .592 71 .517 20 .385 1 .00 21 .39 B

ATOM 4427 CA ASP B 259 19 .824 72 .229 20 .069 1 .00 24 .48 B

ATOM 4428 CB ASP B 259 20 .880 72, .057 21, .169 1, .00 27 .84 B

ATOM 4429 CG ASP B 259 20. .642 72, .958 22. .355 1, .00 32 .31 B

ATOM 4430 ODl ASP B 259 20, .264 74, .129 22. .151 1, .00 36 .13 B

ATOM 4431 OD2 ASP B 259 20, .852 72. .503 23. .498 1, .00 36, .78 B

ATOM 4432 C ASP B 259 20, .404 71. .661 18. .782 1, .00 24, .18 B

ATOM 4433 O ASP B 259 20, .593 70. .449 18, .664 1, .00 22, .34 B

ATOM 4434 N TYR B 260 20, .673 72. .529 17. .813 1, .00 24 .45 B

ATOM 4435 CA TYR B 260 21-, .298 72. .097 16. .575 1, .00 25, .43 B

ATOM 4436 CB TYR B 260 21, .212 73. .194 15. ,506 1, .00 26, .12 B

ATOM 4437 CG TYR B 260 22. ,048 72. ,897 14. ,278 1. .00 28. .02 B

ATOM 4438 CDl TYR B 260 21. .651 71. ,932 13. ,354 1. .00 28. .28 B

ATOM 4439 CEl TYR B 260 22. ,456 71. ,600 12. ,269 1. .00 31. .73 B

ATOM 4440 CD2 TYR B 260 23. ,273 73. ,528 14. ,082 1. .00 29. .51 B

ATOM 4441 CE2 TYR B 260 24. .091 73. ,203 13. ,001 1. .00 33. ,60 B

ATOM 4442 CZ TYR B 260 23. .676 72. ,239 12. ,100 1. .00 32. .61 B

ATOM 4443 OH TYR B 260 24. .474 71. ,911 11. ,027 1. .00 36. .99 B

ATOM 4444 C TYR B 260 22. ,773 71. ,856 16. ,914 1. ,00 27. .12 B

ATOM 4445 O TYR B 260 23. 305 72. 460 17. 844 1. oo 26. ,66 B

ATOM 4446 N ASP B 261 23. 424 70. 962 16. 180 1. oo 27. ,32 B

ATOM 4447 CA ASP B 261 24. 844 70. 697 16. 404 1. oo 29. ,33 B

ATOM 4448 CB ASP B 261 25. 029 69. 537 17. 389 1. 00 29. ,06 B

ATOM 4449 CG ASP B 261 26. 432 69. 483 17. 970 1. 00 32. ,31 B

ATOM 4450 ODl ASP B 261 27. 396 69. 277 17. 203 1. oo 30. ,47 B

ATOM 4451 OD2 ASP B 261 26. 568 69. 654 19. 199 1. oo 34. ,21 B

ATOM 4452 C ASP B 261 25. 499 70. 361 15. 067 1. oo 29. ,99 B

ATOM 4453 O ASP B 261 24. 913 69. 649 14. 247 1. 00 26. ,77 B

ATOM 4454 N ASP B 262 26. 701 70. 892 14. 840 1. 00 31. 11 B

ATOM 4455 CA ASP B 262 27. 432 70. 634 13. 599 1. 00 34. 21 B

ATOM 4456 CB ASP B 262 28. 732 71. 442 13. 553 1. oo 37. 98 B

ATOM 4457 CG ASP B 262 28. 489 72. 932 13. 492 1. oo 43. 41 B

ATOM 4458 ODl ASP B 262 27. 741 73. 374 12. 590 1. oo 45. 93 B

ATOM 4459 OD2 ASP B 262 29. 047 73. 664 14. 340 1. oo 48. 15 B

ATOM 4460 C ASP B 262 27. 759 69. 151 13. 463 1. oo 33. 15 B

ATOM 4461 O ASP B 262 27. 890 68. 637 12. 355 1. oo 34. 93 B

ATOM 4462 N ASP B 263 27. 905 68. 475 14. 598 1. oo 31. 67 B

ATOM 4463 CA ASP B 263 28. 191 67. 041 14. 619 1. oo 31. 88 B

ATOM 4464 CB ASP B 263 28. 759 66. 638 15. 983 1. 00 32. 40 B

ATOM 4465 CG ASP B 263 29. 149 65. 173 16. 050 1. 00 35. 92 B ATOM 4466 ODl ASP B 263 28.423 64.323 15.496 1.00 37.31 B

ATOM 4467 OD2 ASP B 263 30 .181 64 .866 16 .680 1 .00 42 .24 B

ATOM , 4468 C ASP B 263 26 .851 66 .344 14 .396 1 .00 29 .53 B

ATOM 4469 O ASP B 263 25 .978 66 .384 15 .261 1 .00 26 .55 B

ATOM 4470 N PRO B 264 26 .676 65 .685 13 .243 1 .00 28 .90 B

ATOM 4471 CD PRO B 264 27 .636 65 .441 12 .151 1 .00 31 .06 B

ATOM 4472 CA PRO B 264 25 .401 65 .010 12 .985 1 .00 29 .16 B

ATOM 4473 CB PRO B 264 25 .606 64 .397 11 .597 1 .00 30 .53 B

ATOM 4474 CG PRO B 264 27 .093 64 .176 11 .531 1 .00 31 .26 B

ATOM 4475 C PRO B 264 24 .988 63 .988 14 .034 1 .00 27 .76 B

ATOM 4476 O PRO B 264 23 .806 63 .850 14 .325 1 .00 27 .34 B

ATOM 4477 N ALA B 265 25 .955 63 .273 14 .607 1 .00 26 .69 B

ATOM 4478 CA ALA B 265 25 .640 62 .281 15 .629 1 .00 25 .90 B

ATOM 4479 CB ALA B 265 26 .903 61 .496 16 .026 1 .00 26 .13 B

ATOM 4480 C ALA B 265 25 .038 62 .962 16 .858 1 .00 26 .11 B

ATOM 4481 O ALA B 265 24 .090 62 .450 17 .461 1 .00 25 .60 B

ATOM 4482 N ARG B 266 25 .596 64 .109 17 .234 1 .00 25 .03 B

ATOM 4483 CA ARG B 266 25 .094 64 .850 18 .387 1 .00 25 .20 B

ATOM 4484 CB ARG B 266 26 .074 65 .962 18 .794 1 .00 28 .51 B

ATOM 4485 CG ARG B 266 27 .407 65 .452 19 .342 1 .00 35 .86 B

ATOM 4486 CD ARG B 266 27 .987 66 .403 20 .392 1 .00 41 .40 B

ATOM 4487 NE ARG B 266 28 .464 67 .665 19 .832 1 .00 46 .47 B

ATOM 4488 CZ ARG B 266 29 .556 67 .790 19 .081 1. .00 49 .52 B

ATOM 4489 NHl ARG B 266 30 .294 66 .724 18 .794 1. .00 51 .64 B

ATOM 4490 NH2 ARG B 266 29 .918 68 .983 18 .623 1, .00 49 .03 B

ATOM 4491 C ARG B 266 23 .725 65, .460 18 .071 1, .00 22 .64 B

ATOM 4492 O ARG B 266 22. .847 65, .507 18 .925 1, .00 22 .14 B

ATOM 4493 N PHE B 267 23. .559 65, .930 16 .838 1. .00 22, .11 B

ATOM 4494 CA PHE B 267 22, .291 66, .529 16 .408 1. .00 20, .00 B

ATOM 4495 CB PHE B 267 22. .446 67, ,088 14 .988 1. .00 20, .48 B

ATOM 4496 CG PHE B 267 21. .232 67. .840 14, .466 1. .00 20. .69 B

ATOM 4497 CDl PHE B 267 21. .078 68. .033 13, .096 1. .00 20. .49 B

ATOM 4498 CD2 PHE B 267 20. .274- 68. .369 15, .327 1. .00 21. .95- B

ATOM 4499 CEl PHE B 267 19. .981 68. .741 12. .586 1. ,oo 23. ,03 B

ATOM 4500 CE2 PHE B 267 19. .171 69. ,081 14. .827 1. ,oo 23. .00 B

ATOM 4501 CZ PHE B 267 19. .031 69. ,266 13. .455 1. ,oo 22. ,36 B

ATOM 4502 C PHE B 267 21. ,193 65. ,456 16. .456 1. .00 20. .11 B

ATOM 4503 O PHE B 267 20. ,101 65. ,712 16. .939 1. ,00 20. .17 B

ATOM 4504 N VAL B 268 21. ,476 64. 251 15. .963 1. oo 19. ,20 B

ATOM 4505 CA VAL B 268 20. 473 63. 184 16. ,007 1. oo 20. ,24 B

ATOM 4506 CB VAL B 268 20. 972 61. 911 15. ,270 1. oo 20. ,56 B

ATOM 4507 CGI VAL B 268 20. 093 60. 710 15. ,618 1. oo 19. ,46 B

ATOM 4508 CG2 VAL B 268 20. 915 62. 146 13. 765 i. oo 21. 60 B

ATOM 4509 C VAL B 268 20. 091 62. 842 17. 449 1. oo 20. 40 B

ATOM 4510 O VAL B 268 18. 913 62. 676 17. 764 1. oo 19. 81 B

ATOM 4511 N ALA B 269 21. 088 62. 742 18. 326 1. oo 20. 70 B

ATOM 4512 CA ALA B 269 20. 824 62. 456 19. 725 1. oo 20. 56 B

ATOM 4513 CB ALA B 269 22. 147 62. 360 20. 509 1. oo 20. 88 B

ATOM 4514 C ALA B 269 19. 939 63. 573 20. 300 1. oo 20. 19 B

ATOM 4515 O ALA B 269 18. 937 63. 305 20. 975 1. oo 20. 73 B

ATOM 4516 N ASN B 270 20. 293 64. 825 20. 019 1. oo 19. 64 B

ATOM 4517 CA ASN B 270 19. 497 65. 954 20. 519 1. oo 19. 94 B

ATOM 4518 CB ASN B 270 20. 120 67. 302 20. 115 1. oo 18. 55 B

ATOM 4519 CG ASN B 270 21. 462 67. 554 20. 766 1. oo 22. 95 B

ATOM 4520 ODl ASN B 270 21. 845 66. 878 21. 728 1. oo 21. 56 B

ATOM 4521 ND2 ASN B 270 22. 183 68. 547 20. 250 1. oo 20. 87 B

ATOM 4522 C ASN B 270 18. 066 65. 916 19. 982 1. oo 19. 30 B

ATOM 4523 O ASN B 270 17. 110 66. 195 20. 707 1. oo 19. 61 B

ATOM 4524 N ALA B 271 17. 922 65. 561 18. 711 1. oo 17. 33 B

ATOM 4525 CA ALA B 271 16. 604 65. 539 18. 085 1. oo 18. 04 B

ATOM 4526 CB ALA B 271 16. 743 65. 307 16. 581 1. oo 18. 02 B ATOM 4527 C ALA B 271 15.640 64.527 18.686 1.00 19.76 B

ATOM 4528 O ALA B 271 14 .431 64 .700 18 .589 1 .00 17 .73 B

ATOM 4529 N LEU B 272 16 .169 63 .486 19 .320 1 .00 19 .11 B

ATOM 4530 CA LEU B 272 15 .320 62 .473 19 .923 1 .00 20 .64 B

ATOM 4531 CB LEU B 272 16 .084 61 .143 20 .016 1 .00 20 .29 B

ATOM 4532 CG LEU B 272 16 .192 60 .433 18 .659 1 .00 20 .57 B

ATOM 4533 CDl LEU B 272 17 .292 59 .369 18 .714 1 .00 22 .94 B

ATOM 4534 CD2 LEU B 272 14 .847 59 .808 18 .290 1 .00 21 .23 B

ATOM 4535 C LEU B 272 14 .785 62 .902 21 .289 1 .00 20 .61 B

ATOM 4536 O LEU B 272 13 .974 62 .192 21 .892 1 .00 20 .49 B

ATOM 4537 N SER B 273 15 .231 64 .064 21 .768 1 .00 22 .35 B

ATOM 4538 CA SER B 273 14 .755 64 .599 23 .049 1 .00 25 .83 B

ATOM 4539 CB SER B 273 15 .314 66 .008 23 .303 1 .00 28 .03 B

ATOM 4540 OG SER B 273 16 .726 66 .013 23 .361 1 .00 33 .98 B

ATOM 4541 C SER B 273 13 .233 64 .691 22 .957 1 .00 26 .20 B

ATOM 4542 O SER B 273 12 .693 64 .999 21 .895 1 .00 27 .66 B

ATOM 4543 N PRO B 274 12 .522 64 .526 24 .084 1 .00 29 .10 B

ATOM 4544 CD PRO B ^•274 11 .052 64 .603 24 .004 1. .00 30 .10 B

ATOM 4545 CA PRO B 274 12 .942 64 .271 25 .467 1 .00 28 .52 B

ATOM 4546 CB PRO B 274 11 .639 64 .426 26 .245 1 .00 27 .98 B

ATOM 4547 CG PRO B 274 10 .627 63 .910 25 .279 1, .00 30. .19 B

ATOM 4548 C .PRO B 274 13 .659 62, .968 25 .819 1, .00 27. .10 B

ATOM 4549 O PRO B 274 14 .177 62, .839 26 .925 1, .00 27. .75 B

ATOM 4550 N ALA B 275 13 .685 61, .999 24 .910 1, .00 25, .71 B

ATOM 4551 CA ALA B 275 14 .366 60, .744 25, .209 1, .00 25, .03 B

ATOM^' 4552 CB ALA B 275 14 .038 59, .692 24 .140 1, .00 22. .54 B

ATOM 4553 C ALA B 275 15 .873 60, .950 25 .280 1, .00 25, .53 B

ATOM 4554 O ALA B 275 16 .426 61, .825 24 .602 1, .00 24, .72 B

ATOM 4555 N LYS B 276 16 .526 60, .149 26. .117 1, .00 24, .37 B

ATOM 4556 CA LYS B 276 17 .970 60, .190 26 .269 1, .00 26, .07 B

ATOM 4557 CB LYS B 276 18. .349 60, .163 27 .750 1, .00 28, .91 B

ATOM 4558 CG LYS B 276 17. ,927 61. .411 28. .503 1. ,00 33. .27 B

ATOM 4559 CD LYS B 276 18. .622 62. .636 27. .943 1. .00 38. .10 B

ATOM 4560 CE LYS B 276 20. ,135 62. .507 28. .059 1. .00 42. .89 B

ATOM 4561 NZ LYS B 276 20, .852 63. .628 27. .387 1. .00 45. .48 B

ATOM 4562 C LYS B 276 18. .517 58. .952 25. .564 1. .00 26. .84 B

ATOM 4563 O LYS B 276 17. .870 57. .908 25. .546 1. .00 25. ,55 B

ATOM 4564 N VAL B 277 19. .702 59. .068 24. .976 1. .00 24. ,88 B

ATOM 4565 CA VAL- B 277 20, ,284 57. .951 24. .243 1. .00 27. ,39 B

ATOM 4566 CB VAL B 277 20. .423 58. .328 22. .751 1. .00 29. ,51 B

ATOM 4567 CGI VAL B 277 21. .189 57. .259 21. .997 1. .00 35. ,93 B

ATOM 4568 CG2 VAL B 277 19. ,030 58. ,519 22. ,148 1. .00 29. 79 B

ATOM 4569 C VAL B 277 21. ,643 57. ,535 24. ,791 1. oo 26. 99 B

ATOM 4570 O VAL B 277 22. ,303 58. ,303 25. ,487 1. oo 30. 03 B

ATOM 4571 N VAL B 278 22. ,048 56. ,309 24. ,484 1. oo 27. 15 B

ATOM 4572 CA VAL B 278 23. ,342 55. ,796 24. ,920 1. oo 25. 88 B

ATOM 4573 CB VAL B 278 23. ,351 54. ,245 24. ,969 1. oo 26. 15 B

ATOM 4574 CGI VAL B 278 24. ,756 53. ,736 25. ,281 1. oo 28. 27 B

ATOM 4575 CG2 VAL B 278 22. ,365 53. ,746 26. ,014 1. oo 28. 01 B

ATOM 4576 C VAL B 278 24. ,414 56. ,242 23. ,928 1. oo 27. 11 B

ATOM 4577 O VAL B 278 25. ,447 56. ,794 24. ,316 1. oo 27. 67 B

ATOM 4578 N SER B 279 24. ,154 56. ,017 22. ,643 1. oo 23. 91 B

ATOM 4579 CA SER B 279 25. 125 56. 368 21. 610 1. oo 23. 51 B

ATOM 4580 CB SER B 279 26. 197 55. 279 21. 531 1. oo 25. 40 B

ATOM 4581 OG SER B 279 25. 616 54. 056 21. 101 1. oo 25. 06 B

ATOM 4582 C SER B 279 24. 495 56. 504 20. 227 1. oo 20. 13 B

ATOM 4583 O SER B 279 23. 406 56. 002 19. 980 1. oo 20. 01 B

ATOM 4584 N VAL B 280 25. 202 57. 187 19. 333 1. oo 19. 58 B

ATOM 4585 CA VAL B 280 24. 754 57. 355 17. 953 1. oo 21. 55 B

ATOM 4586 CB VAL B 280 24. 255 58. 794 17. 668 1. oo 20. 95 B

ATOM 4587 CGI VAL B 280 23. 801 58. 900 16. 209 1. oo 21. 13 B ATOM 4588 CG2 VAL B 280 23.103 59.148 18.599 1.00 21.84 B

ATOM 4589 C VAL B 280 25 .949 57 .057 17 .039 1 .00 21 .83 B

ATOM 4590 O VAL B 280 27 .001 57 .681 17 .161 1 .00 24 .74 B

ATOM 4591 N SER B 281 25 .783 56 .089 16 .140 1 .00 21 .39 B

ATOM 4592 CA SER B 281 26 .834 55 .696 15 .210 1 .00 22 .15 B

ATOM 4593 CB SER B 281 27 .046 54 .177 15 .232 1 .00 22 .24 B

ATOM 4594 OG SER B 281 27 .575 53 .722 16 .457 1 .00 23 .72 B

ATOM 4595 C SER B 281 26 .457 56 .072 13 .792 1 .00 20 .87 B

ATOM 4596 O SER B 281 25 .352 55 .777 13 .345 1 .00 21 .74 B

ATOM 4597 N VAL B 282 27 .377 56 .715 13 .087 1 .00 19 .54 B

ATOM 4598 CA VAL B 282 27 .127 57 .065 11 .700 1 .00 20 .56 B

ATOM 4599 CB VAL B 282 28 .047 58 .204 11 .228 1 .00 20 .20 B

ATOM 4600 ^' CGI VAL B 282 27 .953 58 .360 9 .702 1 .00 22 .57 B

ATOM 4601 CG2 VAL B 282 27 .641 59 .506 11 .909 1 .00 20 .61 B

ATOM 4602 C VAL B 282 27 .429 55 .799 10 .905 1 .00 22 .42 B

ATOM 4603 O VAL B 282 28 .570 55 .327 10 .889 1 .00 21 .95 B

ATOM 4604 N ILE B 283 26 .398 55 .244 10 .279 1 .00 21 .82 B

ATOM 4605 CA ILE B 283 26 .538 54 .033 9 .475 1 .00 24 .12 B

ATOM 4606 CB ILE B 283 25 .199 53 .269 9 .414 1 .00 25 .52 B

ATOM 4607 CG2 ILE B 283 25 .324 52 .040 8 .512 1. .00 28 .56 B

ATOM 4608 CGI ILE B 283 24 .789 52 .850 10 .833 1, .00 25 .17 B

ATOM 4609 CDl ILE B 283 25 .856 52 .027 11 .571 1, .00 25 .55 B

ATOM 4610 C ILE B 283 27, .006 54 .435 8 .075 1. .00 27 .23 B

ATOM 4611 O ILE B 283 27, .858 53, .770 7 .487 1. .00 28 .11 B

ATOM 4612 N ASP B 284 26, .436 55, .516 7, .539 1, .00 27 .11 B

ATOM 4613 CA ASP B 284 26. .856 56, .042 6, .238 1. .00 28 .53 B

ATOM 4614 CB ASP B 284 26, .148 55, .359 5, .070 1. .00 29. .60 B

ATOM 4615 CG ASP B 284 26. .722 55, .791 3, .730 1. .00 35. .51 B

ATOM 4616 ODl ASP B 284 25. .982 56. .389 2, • 911 1. .00 34, .10 B

ATOM 4617 OD2 ASP B 284 27. .928 55. .538 3, .507 1. .00 35, .56 B

ATOM 4618 C ASP B 284 26. .598 57. .541 6. .155 1. .00 27. .24 B

ATOM 4619 O ASP B 284 25. ,459 57. .994 6. .250 1. ,oo 24. .31 B

ATOM 4620 N. GLN B 285 27. .671 58. .297 5. .959 1. ,oo 28. ,37 B

ATOM 4621 CA GLN B 285 27. .609 59. .750 5. .884 1. .00 30. .79 B

ATOM 4622 CB GLN B 285 29. ,029 60. .310 5. .808 1. oo 35. .67 B

ATOM 4623 CG GLN B 285 29. ,118 61. ,823 5. ,728 1. oo 43. .63 B

ATOM 4624 CD GLN B 285 29. ,073 62. ,483 7. ,090 1. oo 47. ,61 B

ATOM 4625 OEl GLN B 285 28. ,037 62. ,494 7. ,760 1. 00 49. ,56 B

ATOM 4626 NE2 GLN B 285 30. ,208 63. ,027 7. ,515 1. 00 48. ,12 B

ATOM 4627 C GLN B 285 26. ,808 60. ,249 4. 687 1. 00 30. .07 B

ATOM 4628 O GLN B 285 25. 955 61. ,126 4. .813 1. oo 28. .80 B

ATOM 4629 N THR B 286 27. 091 59. ,688 3. 520 1. oo 29. .11 B

ATOM 4630 CA THR B 286 26. 418 60. 105 2. 302 1. oo 27. 51 B

ATOM 4631 CB THR B 286 27. 021 59. 387 1. 092 1. oo 30. 19 B

ATOM 4632 OGl THR B 286 28. 403 59. 740 o. 993 1. oo 33. 32 B

ATOM 4633 CG2 THR B 286 26. 302 59. 793 -o. 190 1. oo 30. 69 B

ATOM 4634 C THR B 286 24. 911 59. 903 2. 300 1. oo 26. 94 ^' B

ATOM 4635 O THR B 286 24. 162 60. 762 1. 829 1. oo 27. 19 B

ATOM 4636 N ALA B 287 24. 460 58. 766 2. 811 1. oo 22. 76 B

ATOM 4637 CA ALA B 287 23. 034 58. 489 2. 842 1. oo 24. 27 B

ATOM 4638 CB ALA B 287 22. 785 56. 985 2. 719 1. oo 25. 78 B

ATOM 4639 C ALA B 287 22. 406 59. 017 4. 118 1. oo 23. 70 B^'

ATOM 4640 O ALA B 287 21. 191 58. 958 4. 279 1. oo 24. 21 B

ATOM 4641 N ARG B 288 23. 247 59. 517 5. 021 1. oo 22. 75 B

ATOM 4642 CA ARG B 288 22. 795 60. 046 6. 302 1. oo 22. 99 B

ATOM 4643 CB ARG B 288 21. 916 61. 284 6. 097 1. oo 25. 18 B

ATOM 4644 CG ARG B 288 22. 657 62. 481 5. 505 1. oo 30. 80 B

ATOM 4645 CD ARG B 288 21. 697 63. 645 5. 263 1. oo 37. 40 ^' B

ATOM 4646 NE ARG B 288 22. 352 64. 763 4. 592 1. oo 45. 54 B

ATOM 4647 CZ ARG B 288 21. 713 65. 831 4. 121 1. oo 48. 28 B

ATOM 4648 NHl ARG B 288 20. 393 65. 929 4. 247 1. oo 48. 81 B ATOM 4649 NH2 ARG B 288 22.394 66.800 3.521 1.00 49.37 B

ATOM 4650 C ARG B 288 22 .017 58 .976 7 .055 1 .00 22 .68 B

ATOM 4651 O ARG B 288 20 .831 59 .131 7 .338 1 .00 22 .03 B

ATOM 4652 N ALA B 289 22 .700 57 .879 7 .366 1 .00 20 .27 B

ATOM 4653 CA ALA B 289 22 .092 56 .769 8 .087 1 .00 20 .65 B

ATOM 4654 CB ALA B 289 22 .229 55 .480 7 .270 1 .00 21 .26 B

ATOM 4655 C ALA B 289 22 .805 56 .620 9 .421 . 1 .00 20 .07 B

ATOM 4656 O ALA B 289 24 .036 56 .549 9 .462 1 .00 19 .52 B

ATOM 4657 N ALA B 290 22 .035 56 .575 10 .507 1 .00 19 .24 B

ATOM 4658 CA ALA B 290 22 .612 56 .432 11 .833 1 .00 19 .83 B

ATOM 4659 CB ALA B 290 22 .509 57 .753 12 .600 1 .00 21 .64 B

ATOM 4660 C ALA B 290 21 .927 55 .339 12 .629 1 .00 18 .67 B

ATOM 4661 O ALA B 290 20 .743 55 .049 12 .435 1 .00 19 .33 B

ATOM 4662 N ARG B 291 22 .686 54 .738 13 .537 1 .00 18 .93 B

ATOM 4663 CA ARG B 291 22 .151 53 .707 14 .407 1 .00 19 .37 B

ATOM 4664 CB ARG B 291 23 .018 52 .450 14 .370 1 .00 22 .50 B

ATOM 4665 CG ARG B 291 22 .560 51 .366 15 .337 1 .00 24 .02 . B

ATOM 4666 CD ARG B 291 23 .541 50 .200 15 .340 1 .00 26 .55 B

ATOM 4667 NE ARG B 291 23 .645 49 .579 14 .024 1 .00 26 .39 B

ATOM 4668 CZ ARG B 291 24 .542 48 .650 13 .708 1. .00 28 .79 B

ATOM 4669 NHl ARG B 291 25 .415 48 .233 14 .620 1. .00 27 .02 B

ATOM 4670 NH2 ARG B 291 24 .574 48 .145 12 .481 1, .00 26 .77 B

ATOM 4671 C ARG B 291 22 .194 54 .317 15 .798 1, .00 18 .49 B

ATOM 4672 O ARG B 291 23 .223 54 .843 16 .229 1. .00 19 .41 B

ATOM 4673 N VAL B 292 21 .072 54 .249 16 .498 1. .00 18 .44 B

ATOM 4674 CA VAL B 292 20 .995 54 .828 17, .822 1. .00 19 .26 B

ATOM 4675 CB VAL B 292 19 .928 55 .942 17 .864 1, .00 21 .76 B

ATOM 4676 CGI VAL B 292 19 .911 56 .587 19 .234 1. .00 21 .56 B

ATOM 4677 CG2 VAL B 292 20 .241 57 .001 16, .792 1. .00 20 .41 B

ATOM 4678 C VAL B 292 20 .640 53 .756 18, .845 1. .00 20 .50 B

ATOM 4679 O VAL B 292 19 .664 53, .032 18, .681 1. .00 22, .04 B

ATOM 4680 N VAL B 293 21. .460 53, .645 19, .882 1. .00 20, .65 B

ATOM 4681 CA VAL B 293 21, .211 52. .694 20. .959 1. .00 21, .65 B

ATOM 4682 CB VAL B 293 22. .529 52. .111 21. .497 1. ,oo 21, .80 B

ATOM 4683 CGI VAL B 293 22. .253 51. .261 22. .736 1. ,oo 23. .44 B

ATOM 4684 CG2 VAL B 293 23. .204 51. .272 20. ,413 1. .00 23. .49 B

ATOM 4685 C VAL B 293 20. .485 53. .453 22. ,062 1. 00 21. ,02 B

ATOM 4686 O VAL B 293 20. .956 54. .487 22. ,525 1. 00 21. ,98 B

ATOM 4687 N VAL B 294 19. ,326 52. ,944 22. 467 1. 00 20. ,72 B

ATOM 4688 CA VAL B 294 18. ,517 53. ,600 23. 486 1. 00 22. ,74 B

ATOM 4689 CB VAL B 294 17. 134 53. 960 22. 910 1. 00 23. 66 B

ATOM 4690 CGI VAL B 294 16. 299 54. 700 23. 950 1. 00 21. 97 B

ATOM 4691 CG2 VAL B 294 17. 320 54. 830 21. 666 1. 00 24. 86 B

ATOM 4692 C VAL B 294 18. 329 52. 697 24. 705 1. 00 22. 00 B

ATOM 4693 O VAL B 294 18. 006 51. 519 24. 566 1. oo 21. 76 B

ATOM 4694 N PRO B 295 18. 538 53. 238 25. 910 1. oo 22. 42 B

ATOM 4695 CD PRO B 295 18. 949 54. 609 26. 277 1. oo 22. 41 B

ATOM 4696 CA PRO B 295 18. 363 52. 392 27. 095 1. oo 23. 98 B

ATOM 4697 CB PRO B 295 18. 938 53. 247 28. 222 1. oo 24. 99 B

ATOM 4698 CG PRO B 295 18. 692 54. 641 27. 774 1. oo 26. 47 B

ATOM 4699 C PRO B 295 16. 895 52. 014 27. 291 1. oo 22. 59 B

ATOM 4700 O PRO B 295 15. 988 52. 716 26. 815 1. oo 21. 79 B

ATOM 4701 N ASP B 296 16. 669 50. 899 27. 984 1. oo 20. 96 B

ATOM 4702 CA ASP B 296 15. 325 50. 385 28. 222 1. oo 22. 08 B

ATOM 4703 CB ASP B 296 15. 361 49. 287 29. 297 1. oo 24. 27 B

ATOM 4704 CG ASP B 296 15. 989 47. 994 28. 803 1. oo 28. 89 B

ATOM 4705 ODl ASP B 296 16. 027 47. 024 29. 592 1. oo 29. 54 B

ATOM 4706 OD2 ASP B 296 16. 449 47. 944 27. 636 1. oo 29. 17 B

ATOM 4707 C ASP B 296 14. 253 51. 399 28. 609 1. oo 21. 31 B

ATOM 4708 O ASP B 296 13. 209 51. 473 27. 967 1. oo 22. 66 B

ATOM 4709 N PHE B 297 14. 502 52. 175 29. 659 1. oo 23. 41 B ATOM 4710 CA PHE B 297 13.511 53.141 30.131 1.00 26.33 B

ATOM 4711 CB PHE B 297 13 .879 53 .628 31 .538 1 .00 28 .13 B

ATOM 4712 CG PHE B 297 13 .524 52 .655 32 .632 1 .00 31 .67 B

ATOM 4713 CDl PHE B 297 14 .027 51 .356 32 .625 1 .00 29 .06 B

ATOM 4714 CD2 PHE B 297 12 .670 53 .036 33 .669 1 .00 33 .44 B

ATOM 4715 CEl PHE B 297 13 .689 50 .452 33 .631 1 .00 31 .43 B

ATOM 4716 CE2 PHE B 297 12 .325 52 .137 34 .684 1 .00 33 .34 B

ATOM 4717 CZ PHE B 297 12 .836 50 .839 34 .661 1 .00 32 .78 B

ATOM 4718 C PHE B 297 13 .275 54 .348 29 .225 1 .00 27 .83 B

ATOM 4719 O PHE B 297 12 .326 55 .106 29 .437 1 .00 29 .88 B

ATOM 4720 N GLN B 298 14 .124 54 .527 28 .218 1 .00 24 .87 B

ATOM 4721 CA GLN B 298 13 .988 55 .664 27 .306 1 .00 26 .78 B

ATOM 4722 CB GLN B 298 15 .362 56 .287 27 .037 1 .00 25 .56 B

ATOM 4723 CG GLN B 298 16 .111 56 .722 28 .285 1 .00 27 .43 B

ATOM 4724 CD GLN B 298 15 .435 57 .869 29 .005 1 .00 29 .63 B

ATOM 4725 OEl GLN B 298 15 .371 57 .887 30 .235 1 .00 33 .37 B

ATOM 4726 NE2 GLN B 298 14 .936 58 .838 28 .249 1 .00 23 .12 B

ATOM 4727 C GLN B 298 13 .365 55 .261 25 .972 1 .00 26 .20 B

ATOM 4728 O GLN B 298 13 .021 56 .115 25 .159 1 .00 25 .39 B

ATOM 4729 N LEU B 299 13 .199 53 .961 25 .762 1 .00 25 .94 B

ATOM 4730 CA LEU B 299 12 .666 53 .459 24 .500 1 .00 26 .47 B

ATOM 4731 CB LEU B 299 12 .660 51 .931 24 .522 1, .00 28 .74 B

ATOM 4732 CG LEU B 299 12 .659 51 .255 23 .156 1, .00 33 .30 B

ATOM 4733 CDl LEU B 299 13 .950. 51 .623 22 .407 1. .00 30 .54 B

ATOM 4734 CD2 LEU B 299 12 .558 49 .747 23 .338 1, .00 35 .71 B

ATOM 4735 C LEU B 299 11 .286 53, .978 24 .087 1, .00 25 .66 B

ATOM 4736 O LEU B 299 11 .107 54, .436 22, .956 1. .00 22 .88 B

ATOM 4737 N SER B 300 10 .305 53. .915 24, .983 1. .00 24 .71 B

ATOM 4738 CA SER B 300 8, .977 54. .395 24, .618 1. .00 25, .50 B

ATOM 4739 CB SER B 300 7, .962 54. ,103 25, .732 1. .00 25, .92 B

ATOM 4740 OG SER B 300 8, .221 54. .861 26, .895 1, .00 28, .78 B

ATOM 4741 C SER B 300 9, .003 55. .892 24, .295 1. .00 24 , .44 B

ATOM 4742 O SER B 300 8. .253 56. ,356 23. .431 1. .00 24. .40 B

ATOM 4743 N LEU B 301 9. ,856 56. ,643 24. .987 1. .00 25. .29 B

ATOM 4744 CA LEU B 301 9. ,975 58. ,080 24. .736 1. .00 25. .84 B

ATOM ^'4745 CB LEU B 301 10. ,798 58. ,763 25. .835 1. ,oo 28. .28 B

ATOM 4746 CG LEU B 301 10. ,071 59. 218 27. .098 1. ,00 32. .71 B

ATOM 4747 CDl LEU B 301 11. ,073 59. 851 28. .058 1. ,oo 33. .48 B

ATOM 4748 CD2 LEU B 301 8. ,988 60. 222 26. ,725 1. oo 34. .31 B

ATOM 4749 C LEU B 301 10. ,644 58. 331 23. ,389 1. oo 25. ,26 B

ATOM 4750 O LEU B 301 10. ,216 59. 206 22. ,624 1. oo 23. .59. B

ATOM 4751 N ALA B 302 11. ,689 57. 554 23. ,099 1. oo 23. ,34 B

ATOM 4752 CA ALA B 302 12. 425 57. 696 21. ,842 1. oo 23. ,76 B

ATOM 4753 CB ALA B 302 13. 620 56. 749 21. 820 1. oo 25. ,74 B

ATOM 4754 C ALA B 302 11. 540 57. 427 20. 636 1. oo 24. ,94 B

ATOM 4755 O ALA B 302 11. 642 58. 109 19. 620 1. oo 22. 06 B

ATOM 4756 N ILE B 303 10. 682 56. 420 20. 750 1. oo 24. 74 B

ATOM 4757 CA ILE B 303 9. 785 56. 063 19. 662 1. oo 27. 76 B

ATOM 4758 CB ILE B 303 9. 287 54. 604 19. 827 1. oo 28. 99 B

ATOM 4759 CG2 ILE B 303 8. 245 54. 279 18. 768 1. oo 28. 82 B

ATOM 4760 CGI ILE B 303 10. 482 53. 648 19. 727 1. oo 29. 73 B

ATOM 4761 CDl ILE B 303 10. 133 52. 184 19. 968 1. oo 34. 31 B

ATOM 4762 C ILE B 303 8. 593 57. 020 19. 621 1. oo 27. 36 B

ATOM 4763 O ILE B 303 8. 272 57. 575 18-. 572 1. oo 26. 36 B

ATOM 4764 N GLY B 304 7. 949 57. 212 20. 770 1. oo 28. 74 B

ATOM 4765 CA GLY B 304 6. 803 58. 102 20. 843 1. oo 30. 86 B

ATOM 4766 C GLY B 304 5. 528 57. 459 20. 328 1. oo 33. 52 B

ATOM 4767 O GLY B 304 5. 568 56. 416 19. 678 1. oo 33. 55 B

ATOM 4768 N LYS B 305 4. 388 58. 084 20. 611 1. oo 37. 69 B

ATOM 4769 CA LYS B 305 3. 098 57. 558 20. 167 1. oo 40. 67 B

ATOM 4770 CB LYS B 305 1. 973 58. 509 20. 589 1. oo 44. 00 B ATOM 4771 CG LYS B 305 2.205 59.959 20.210 1.00 49.17 B

ATOM 4772 CD LYS B 305 1 .153 60 .865 20 .836 1 .00 53 .78 B

ATOM 4773 CE LYS B 305 1 .182 60 .781 22 .359 1 .00 55 .73 B

ATOM 4774 NZ LYS B 305 o .135 61 .630 22 .988 1 .00 58 .71 B

ATOM 4775 C LYS B 305 3 .068 57 .337 18 .656 1 .00 41 .28 B

ATOM 4776 O LYS B 305 3 .283 58 .266 17 .877 1 .00 42 .37 B

ATOM 4777 N GLU B 306 2 .799 56 .099 18 .254 1 .00 41 .55 B

ATOM 4778 CA GLU B 306 2 .758 55 .719 16 .845 1 .00 40 .94 B

ATOM 4779 CB GLU B 306 1 .592 56 .402 16 .118 1 .00 45 .70 B

ATOM 4780 CG GLU B 306 o .206 55 .949 16 .556 1 .00 50 .33 B

ATOM 4781 CD GLU B 306 -o .327 56 .750 17 .725 1 .00 53 .19 B

ATOM 4782 OEl GLU B 306 o .281 56 .696 18 .818 1 .00 54 .97 B

ATOM 4783 OE2 GLU B 306 -1 .356 57 .439 17 .548 1 .00 55 .38 B

ATOM 4784 C GLU B 306 4 .056 56 .045 16 .115 1 .00 39 .30 B

ATOM 4785 O GLU B 306 4 .045 56 .289 14 .908 1 .00 40 .17 B

ATOM 4786 N GLY B 307 5 .169 56 .048 16 .847 1 .00 34 .70 B

ATOM 4787 CA GLY B 307 6 .461 56 .333 16 .244 1 .00 30 .36 B

ATOM 4788 C GLY B 307 6 .691 57 .810 15 .979 1 .00 28 .32 B

ATOM 4789 O GLY B 307 7 .605 58 .191 15 .250 1 .00 25 .04 B

ATOM 4790 N GLN B 308 5 .854 58 .636 16 .590 1 .00 27 .60 B

ATOM 4791 CA GLN B 308 5 .894 60 .089 16 .439 1. .00 28 .66 B

ATOM 4792 CB GLN B 308 4 .872 60 .689 17 .398 1 .00 32 .85 B

ATOM 4793 CG GLN B 308 4 .714 62 .177 17 .337 1 .00 38 .03 B

ATOM 4794 CD GLN B 308 3 .664 62 .653 18 .314 1, .00 39 .45 B

ATOM 4795 OEl GLN B 308 3. .938 62 .846 19 .502 1, .00 43 .33 B

ATOM 4796 NE2 GLN B 308 2 .445 62 .815 17 .827 1 .00 41 .30 B

ATOM 4797 C GLN B 308 7 .256 60 .755 16 .667 1, .00 26 .24 B

ATOM 4798 O GLN B 308 7 .727 61, .541 15 .841 1, .00 23 .67 B

ATOM 4799 N ASN B 309 7 .886 60, .438 17, .790 1, .00 24 .16 B

ATOM 4800 CA ASN B 309 9, .164 61. .035 18. .127 1. .00 23. .51 B

ATOM 4801 CB ASN B 309 9, .560 60. .643 19, .549 1. .00 23. .31 B

ATOM 4802 CG ASN B 309 10. .695 61. ,482 20. ,086 1. .00 23. .66 B

ATOM 4803 ODl ASN B 309 10, .543 62. .689 20, .286 1. .00 26. .04 B

ATOM 4804 ND2 ASN B 309 11, .839 60. .851 20. ,336 1. .00 23, .98 B

ATOM 4805 C ASN B 309 10, .293 60. ,675 17. .160 1. ,oo 22. .44 B

ATOM 4806 O ASN B 309 11. .065 61. ,539 16. .749 1. ,oo 20. .11 B

ATOM 4807 N ALA B 310 10. .405 59. ,395 16. ,820 1. .00 22. .31 B

ATOM 4808 CA ALA B 310 11. ,456 58. ,931 15. ,916 1. .00 23. ,28 B

ATOM 4809 CB ALA B 310 11. ,444 57. 399 15. 840 1. oo 23. ,19 B

ATOM 4810 C ALA B 310 11. ,259 59. ,520 14. ,525 1. ,oo 22. ,39 B

ATOM 4811 O ALA B 310 12. ,221 59. ,928 13. ,865 1. ,oo 20. .39 B

ATOM 4812 N ARG B 311 10. ,006 59. 572 14. ,087 1. oo 22. ,92 B

ATOM 4813 CA ARG B 311 9. ,701 60. 117 12. 772 1. oo 23. ,26 B

ATOM 4814 CB ARG B 311 8. 211 59. 969 12. 444 1. oo 26. 62 B

ATOM 4815 CG ARG B 311 7. 817 58. 620 11. 852 1. oo 32. 46 B

ATOM 4816 CD ARG B 311 6. 536 58. 779 11. 023 1. oo 36. 85 B

ATOM 4817 NE ARG B 311 5. 438 59. 322 11. 820 1. oo 39. 05 B

ATOM 4818 CZ ARG B 311 4. 800 58. 634 12. 758 1. oo 39. ,90 B

ATOM 4819 NHl ARG B 311 5. 151 57. 381 13. 003 1. oo 41. 39 B

ATOM 4820 NH2 ARG B 311 3. 823 59. 197 13. 458 1. oo 41. 06 B

ATOM 4821 C ARG B 311 10. 084 61. 582 12. 691 1. oo 20. 11 B

ATOM 4822 O ARG B 311 10. 726 61. 992 11. 740 1. oo 19. 08 B

ATOM 4823 N LEU B 312 9. 689 62. 360 13. 697 1. oo 19. 57 B

ATOM 4824 CA LEU B 312 10. 007 63. 784 13. 722 1.oo 19. 15 B

ATOM 4825 CB LEU B 312 9. 306 64. 468 14. 894 1. oo 19. 45 B

ATOM 4826 CG LEU B 312 7. 798 64. 662 14. 726 1. 00 22. 98 B

ATOM 4827 CDl LEU B 312 7. 207 65. 123 16. 043 1. 00 25. 61 B

ATOM 4828 CD2 LEU B 312 7. 516 65. 674 13. 616 1. oo 24. 82 B

ATOM 4829 C LEU B 312 11. 505 64. 026 13. 805 1. 00 18. 58 B

ATOM 4830 O LEU B 312 12. 021 64. 923 13. 143 1. 00 19. 00 B

ATOM 4831 N ALA B 313 12. 216 63. 229 14. 606 1. 00 15. 83 B ATOM 4832 CA ALA B 313 13.665 63.412 14.713 1.00 18.18 B

ATOM 4833 CB ALA B 313 14 .251 62 .489 15 .782 1 .00 17 .88 B

ATOM 4834 C ALA B 313 14 .337 63 .139 13 .371 1 .00 18 .11 B

ATOM 4835 O ALA B 313 15 .286 63 .825 12 .995 1 .00 19 .42 B

ATOM 4836 N ALA B 314 13 .852 62 .133 12 .653 1 .00 19 .33 B

ATOM 4837 CA ALA B 314 14 .423 61 .808 11 .346 1 .00 19 .74 B

ATOM 4838 CB ALA B 314 13 .821 60 .501 10 .819 1 .00 20 .43 B

ATOM 4839 C ALA B 314 14 .161 62 .942 10 .349 1 .00 20 .76 B

ATOM 4840 O ALA B 314 15 ,043 63 .329 9 .577 1 .00 20 .25 B

ATOM 4841 N ARG B 315 12 .945 63 .476 10 .363 1 .00 21 .17 B

ATOM 4842 CA ARG B 315 12 .613 64 .562 9 .443 1 .00 22 .94 B

ATOM 4843 CB ARG B 315 11 .104 64 .799 9 .435 1 .00 26 .25 B

ATOM 4844 CG ARG B 315 10 .686 65 .945 8 .528 1 .00 35 .86 . B

ATOM 4845 CD ARG B 315 9 .299 65 .721 7 .955 1 .00 42 .70 B

ATOM 4846 NE ARG B 315 8 .292 65 .551 8 .996 1 .00 46 .99 B

ATOM 4847 CZ ARG B 315 7 .006 65 .327 8 .756 1 .00 48 .12 B

ATOM 4848 NHl ARG B 315 6 .570 65 .244 7 .506 1 .00 52 .59 B

ATOM 4849 NH2 ARG B 315 6 .157 65 .186 9 .762 1 .00 49 .27 B

ATOM 4850 C ARG B 315 13 .356 ^' 65 .855 9 .794 1 .00 22 .07 B

ATOM 4851 O ARG B 315 13 .794 66 .593 8 .911 1 .00 22 .12 B

ATOM 4852 N LEU B 316 13 .524 66 .116 11 .086 1 .00 20 .75 B

ATOM 4853 CA LEU B 316 14 .218 67 .324 11 .531 1, .00 19 .05 B

ATOM 4854 CB LEU B 316 14 .148 67 .436 13 .060 1, .00 19 .86 B

ATOM 4855 CG LEU B 316 14 .682 68 .738 13 .675 1, .00 19 .42 B

ATOM 4856 CDl LEU B 316 13 .704 69 .875 13 .348 1, .00 18 .90 B

ATOM 4857 CD2 LEU B 316 14 .838 68 .580 15. .192 1. .00 19 .42 B

ATOM 4858 C LEU B 316 15 .682 67 .348 11. .100 1, .00 20 .20 B

ATOM 4859 O LEU B 316 16, .197 68 .376 10. .662 1. .00 19 .15 B

ATOM 4860 N THR B 317 16, .346 66 .199 11. .230 1. .00 20 .38 B

ATOM 4861 CA THR B 317 17, .768 66 .060 10, .916 1. .00 19, .61 B

ATOM 4862 CB THR B 317 18, .417 64 .981 11, .818 1. .00 19, .59 B

ATOM 4863 OGl THR B 317 17. .767 63, .718 11, .589 1. ,oo 18, .71 B

ATOM 4864 CG2 THR B 317 18. .263 65, .353 13. ,278 1. ,00 18. .38 B

ATOM 4865 C THR B 317 18. .077 65, .655 9. ,475 1. ,00 19. ,22 B

ATOM 4866 O THR B 317 19. .161 65. .950 8. ,962 1. ,00 21. .09 B

ATOM 4867 N GLY B 318 17. .138 64. ,963 8. ,846 1. ,00 21. .82 B

ATOM 4868 CA GLY B 318 17. .354 64. .496 7. ,486 1. ,00 21. .58 B

ATOM 4869 C GLY B 318 18. ,028 63. .133 7. ,507 1. 00 21. .51 B

ATOM 4870 O GLY B 318 18. ,339 62. .561 6. ,462 1. 00 22. .65 B

ATOM 4871 N TRP B 319 18. ,255 62. ,601 8. 705 1. 00 20. .26 B

ATOM 4872 CA TRP B 319 18. 903 61. ,299 8. 840 1. oo 20. ,51 B

ATOM 4873 CB TRP B 319 19. 914 61. ,327 9. 997 1. oo 19. ,00 B

ATOM 4874 CG TRP B 319 21. 170 62. 067 9. 699 1. oo 20. ,85 B

ATOM ' 4875 CD2 TRP B 319 22. 486 61. 513 9. 630 1. oo 22. 23 B

ATOM 4876 CE2 TRP B 319 23. 359 62. 556 9. 245 1. oo 21. 61 B

ATOM 4877 CE3 TRP B 319 23. 015 60. 232 9. 851 1. oo 20. 07 B

ATOM 4878 CDl TRP B 319 21. 293 63. 393 9. 373 1. oo 23. 62 B

ATOM 4879 NE1 TRP B 319 22. 604 63. 691 9. 094 1. oo 22. 48 B

ATOM 4880 CZ2 TRP B 319 24. 736 62. 358 9. 071 1. oo 23. 02 B

ATOM 4881 CZ3 TRP B 319 24. 380 60. 031 9. 678 1. oo 23. 16 B

ATOM 4882 CH2 TRP B 319 25. 228 61. 092 9. 290 1. oo 20. 37 B

ATOM 4883 C TRP B 319 17. 925 60. 160 9. 090 1. oo 20. 25 B

ATOM 4884 O TRP B 319 16. 933 60. 329 9. 807 1. oo 22. 63 B

ATOM 4885 N ARG B 320 18. 192 58. 998 8. 495 1. oo 18. 71 B

ATOM 4886 CA ARG B 320 17. 349 57. 844 8. 744 1. oo 19. 22 B

ATOM 4887 CB ARG B 320 17. 446 56. 825 7. 608 1. oo 18. 72 B

ATOM 4888 CG ARG B 320 16. 584 57. 279 6. 427 1. oo 20. 20 B

ATOM 4889 CD ARG B 320 16. 493 56. 253 5. 324 1. oo 22. 38 B

ATOM 4890 NE ARG B 320 15. 518 56. 684 4. 318 1. oo 22. 18 B

ATOM 4891 CZ ARG B 320- 15. 280 56. 032 3. 186 1. oo 24. 58 B

ATOM 4892 NHl ARG B 320 15. 947 54. 920 2. 909 1. oo 18. oo B ATOM 4893 NH2 ARG B 320 14.367 56.491 2.336 1.00 25.51 B

ATOM 4894 C ARG B 320 17 .905 57 .280 10 .033 1 .00 20 .15 B

ATOM 4895 O ARG B 320 19 .118 57 .142 10 .175 1 .00 21 .62 B

ATOM 4896 N ILE B 321 17 .012 56 .969 10 .963 1 . oo 20 .27 B

ATOM 4897 CA ILE B 321 17 .403 56 .499 12 .288 1 .00 21 .94 B

ATOM 4898 CB ILE B 321 16 .790 57 .430 13 .374 1 .00 23 .33 B

ATOM 4899 CG2 ILE B 321 17 .117 56 .909 14 .772 1 .00 27 .79 B

ATOM 4900 CGI ILE B 321 17 .303 58 .858 13 .175 1 .00 23 .68 B

ATOM 4901 CDl ILE B 321 16 .656 59 .878 14 .127 1 .00 22 .45 B

ATOM 4902 C ILE B 321 16 .977 55 .078 12 .595 1 .00 22 .55 B

ATOM 4903 O ILE B 321 15 .793 54 .755 12 .523 1 .00 23 .20 B

ATOM 4904 N ASP B 322 17 .943 54 .232 12 .948 1 .00 22 .36 B

ATOM 4905 CA ASP B 322 17 .648 52 .851 13 .308 1 .00 23 .86 B

ATOM 4906 CB ASP B 322 18 .637 51 .874 12 .660 1 .00 24 .39 B

ATOM 4907 CG ASP B 322 18 .409 50 .429 13 .106 1 .00 28 .26 B

ATOM 4908 ODl ASP B 322 17 .240 50 .049 13 .340 1 .00 27 .32 B

ATOM 4909 OD2 ASP B 322 19 .394 49 .663 13 .210 1 .00 29 .23 B

ATOM 4910 C ASP B 322 17 .766 52 .770 14 .815 1 .00 22 .43 B

ATOM 4911 O ASP B 322 18 .858 52 .908 15 .360 1 .00 23 .71 B

ATOM 4912 N ILE B 323 16 .640 52 .563 15 .489 1 .00 24 .00 B

ATOM 4913 CA ILE B 323 16 .648 52 .473 16 .940 1 .00 24 .99 B

ATOM 4914 CB ILE B 323 15 .316 52 .974 17 .547 1 .00 26 .40 B

ATOM 4915 CG2 ILE B 323 15 .305 52 .726 19 .057 1 .00 27 .00 B

ATOM 4916 CGI ILE B 323 15, .140 54 .470 17 .248 1, .00 29 .39 B

ATOM 4917 CDl ILE B 323 13, .846 55 .080 17. .790 1, .00 32 .06 B

ATOM 4918 C ILE B 323 16, .887 51 .039 17 .386 1. .00 25 .47 B

ATOM 4919 O ILE B 323 16, .203 50 .114 16. .946 1, .00 23 .73 B

ATOM 4920 N ARG B 324 17. .870 50, .868 18. .259 1, .00 24 .92 B

ATOM 4921 CA ARG B 324 18. .206 49, .558 18, .789 1. .00 27 .60 B

ATOM 4922 CB ARG B 324 19. .560 49. .098 18. .261 1. .00 28, .84 B

ATOM 4923 CG ARG B 324 19. .603 48. .873 16, .772 1. .00 31. .84 B

ATOM 4924 CD ARG B 324 20. .773 47. .989 16. .442 1. .00 35, .80 B

ATOM 4925 NE ARG B 324 20. .896 47. .734 15. .015 1. .00 39. .58 B

ATOM 4926 CZ ARG B 324 21. ,799 46. ,911 14. .493 1. ,oo 41. ,90 B

ATOM 4927 NHl ARG B 324 22. ,646 46. .266 15, .288 1. .00 41, .09 B

ATOM 4928 NH2 ARG B 324 21. ,869 46. .747 13. .180 1. .00 43. .39 B

ATOM 4929 C ARG B 324 18. ,264 49. .580 20. ,305 1. ,oo 27. .05 B

ATOM 4930 O ARG B 324 18. 461 50. .632 20. ,918 1. .00 25. .04 B

ATOM 4931 N GLY B 325 18. ,110 48. .404 20. ,901 1. .00 28. .93 B

ATOM 4932 CA GLY B 325 18. ,164 48. .293 22. ,347 1. ,00 31. .35 B

ATOM 4933 C GLY B 325 19. 604 48. ,259 22. ,823 1. ,00 34. ,52 B

ATOM 4934 O GLY B 325 20. 524 48. .034 22. 033 1. 00 32. ,60 B

ATOM 4935 N ASP B 326 19. .800 48. ,480 24. ,117 1. ,00 37. ,34 B

ATOM 4936 CA ASP B 326 21. 132 48. ,496 24. ,699 1. ,00 43. ,95 B

ATOM 4937 CB ASP B 326 21. 140 49. .395 25. 939 1. oo 44. 88 B

ATOM 4938 CG ASP B 326 22. 518 49. 533 26. 552 1. oo 47. 55 B

ATOM 4939 ODl ASP B 326 23. 500 49. 685 25. 795 1. oo 48. 70 B

ATOM 4940 OD2 ASP B 326 22. 617 49. 509 27. 795 1. oo 52. .01 B

ATOM 4941 C ASP B 326 21. 623 47. 095 25. 050 1. oo 48. 33 B

ATOM 4942 O ASP B 326 22. 826 46. 841 25. 063 1. oo 49. 22 B

ATOM 4943 N ALA B 327 20. 691 46. 188 25. 322 1. 00 53. 04 B

ATOM 4944 CA ALA B 327 21. 037 44. 813 25. 664 1. 00 58. 81 B

ATOM 4945 CB ALA B 327 20. 649 44. 520 27. 110 1. 00 58. 65 B

ATOM 4946 C ALA B 327 20. 344 43. 826 24. 729 1. 00 62. 53 B

ATOM 4947 O ALA B 327 19. 553 42. 990 25. 171 1. 00 63. 43 B

ATOM 4948 N PRO B 328 20. 629 43. 912 23. 417 1. 00 65. 58 B

ATOM 4949 CD PRO B 328 21. 517 44. 884 22. 754 1. 00 66. 41 B

ATOM 4950 CA PRO B 328 20. 020 43. 014 22. 431 1. 00 67. 15 B

ATOM 4951 CB PRO B 328 20. 744 43. 382 21. 139 1. oo 67. 22 B

ATOM 4952 CG PRO B 328 21. 026 44. 840 21. 324 1.oo 67. 40 B

ATOM 4953 C PRO B 328 20. 191 41. 538 22. 788 1. oo 68. 55 B ATOM 4954 O PRO B 328 21.309 41.024 22.818 o .00 68.47 B

ATOM 4955 N PRO B 329 19 .079 40 .841 23 .068 1 .00 69 .67 B

ATOM 4956 CD PRO B 329 17 .699 41 .357 23 .114 1 .00 70 .03 B

ATOM 4957 CA PRO B 329 19 .114 39 .419 23 .423 1 .00 70 .47 B

ATOM 4958 CB PRO B 329 17 .696 39 .159 23 .923 1 .00 70 .87 B

ATOM 4959 CG PRO B 329 16 .881 40 .085 23 .076 1 .00 70 .57 B

ATOM 4960 C PRO B 329 19 .490 38 .527 22 .239 1 .00 70 .86 B

ATOM 4961 O PRO B 329 18 .653 37 .687 21 .840 1 .00 70 .70 B

ATOM 4962 OXT PRO B 329 20 .619 38 .681 21 .725 1 .00 70 .85 B

ATOM 4963 S S04 X 505 -5 .189 120 .410 -32 .387 1 .00 53 .81 X

ATOM 4964 01 S04 X 505 -4 .160 121 .217 -33 .062 1 .00 56 .01 X

ATOM 4965 02 S04 X 505 -5 .743 121 .166 -31 .255 1 .00 56 .27 X

ATOM 4966 03 S04 X 505 -4 .577 119 .167 -31 .884 1 .00 56 .23 X

ATOM 4967 04 S04 X 505 -6 .266 120 .086 -33 .339 1 .00 55 .50 X

ATOM 4968 S S04 X 506 9 .656 66 .752 -17 .328 1 .00 45 .72 X

ATOM 4969 01 S04 X 506 9 .331 67 .064 -18 .733 1 .00 45 .46 X

ATOM 4970 02 S04 X 506 11 .102 66 .471 -17 .216 1 .00 47 .80 X

ATOM 4971 03 S04 X 506 8 .890 65 .563 -16 .902 1, .00 45 .03 X

ATOM 4972 04 S04 X 506 9 .318 67 .901 -16 .468 1 .00 45 .53 X

ATOM 4973 S S04 X 508 -19 .165 115 .895 -30 .549 1 .00107 .75 X

ATOM 4974 01 S04 X 508 -19 .339 115 .238 -29 .239 1, .00107 .46 X

ATOM 4975 02 S04 X 508 -18 .992 114 .871 -31 .597 1, .00107 .45 X

ATOM 4976 03 S04 X 508 -20 .357 116 .709 -30 .852 1, .00107 .99 X

ATOM 4977 04 S04 X 508 -17 .974 116 .764 -30 .509 1, .00107 .76 X

ATOM 4978 S S04 X 509 -1 .797 63 .623 19, .960 1. .00115 .80 X

ATOM 4979 01 S04 X 509 -2 .106 63 .743 21 .397 1. .00115 .59 X

ATOM 4980 02 S04 X 509 -2 .344 64 .791 19, .244 1, .00115 .49 X

ATOM 4981 03 S04 X 509 -2. .407 62, .389 19, .427 1. .00115. .55 X

ATOM 4982 04 S04 X 509 -o. .334 63, .569 19. .773 1. .00115. .06 X

ATOM 4983 OH2 WAT W 4 -10 .051 72, .297 -0. .086 1. .00 23. .47 W

ATOM 4984 OH2 WAT W 5 19. .629 53, .928 9. .755 1. .00 25. .89 W

ATOM 4985 OH2 WAT W 6 18. .063 59. .319 -2. .804 1. .00 24. .87 W

ATOM 4986 OH2 WAT W 7 -7. .794 70, ,805 0. .310 1. .00 24. .99 W

ATOM 4987 OH2 WAT W 8 26. .086 45, .438 2. .112 1. .00 22. .40 W

ATOM 4988 ^' OH2 WAT W 9 13. .875 56. .930 -0. .534 1. ,oo 24. ,92 W

ATOM 4989 OH2 WAT W 10 15. .909 81. .786 12. .122 1. ,oo 25. .10 W

ATOM 4990 OH2 WAT W 11 -8. .627 73. ,987 -2. ,211 1. ,oo 26. .59 w

ATOM 4991 OH2 WAT W 12 14. .287 56. ,988 10. ,024 1. ,oo 27. .53 w

ATOM 4992 OH2 WAT W 13 -15. ,671 73. ,585 -11. 877 1. oo 23. ,16 w

ATOM 4993 OH2 WAT W 14 -6. ,065 72. ,910 -2. 058 1. oo 25. ,40 w

ATOM 4994 OH2 WAT W 15 -14. ,113 115. ,242 -19. 271 1. oo 41. ,97 w

ATOM 4995 OH2 WAT W 16 14. 169 61. 260 29. 171 1. oo 28. ,29 w

ATOM 4996 OH2 WAT W 17 18. ,933 46. 543 28. 482 1. oo 39. ,64 w

ATOM 4997 OH2 WAT W 18 7. ,667 39. 725 -15. 730 1. oo 34. ,92 w

ATOM 4998 OH2 WAT W 19 30. ,820 55. 954 9. 565 1. oo 29. ,23 w

ATOM 4999 OH2 WAT W 20 4. 650 59. 525 -5. 475 1. oo 27. 68 w

ATOM 5000 OH2 WAT W 21 5. 143 87. 785 8. 026 1. oo 42. 38 w

ATOM 5001 OH2 WAT W 22 -24. 444 57. 867 -11. 136 1. oo 25. 56 w

ATOM 5002 OH2 WAT W 23 15. 265 61. 455 7. 252 1. oo 24. 96 w

ATOM 5003 OH2 WAT W 24 1. 651 67. 935 9. 373 1. oo 29. 48 w

ATOM 5004 OH2 WAT W 25 16. 810 53. 185 9. 466 1. oo 26. 95 w

ATOM 5005 OH2 WAT W 26 12. 173 64. 302 -18. 092 1. oo 34. 36 w

ATOM 5006 - OH2 WAT W 27 -3. 769 81. 254 -3. 615 1. oo 32. 88 w

ATOM 5007 OH2 WAT W 28 13. 783 90. 187 11. 599 1. oo 27. 89 w

ATOM 5008 OH2 WAT W 29 13. 353 61. 396 -15. 418 1.oo 27. 69 w

ATOM 5009 OH2 WAT W 30 13. 590 44. 439 -3. 421 1.oo 34. 89 w

ATOM 5010 OH2 WAT W 31 14. 860 88. 178 25. 932 1. oo 41. 90 w

ATOM 5011 OH2 WAT W 32 -3. 063 43. 211 -9. 607 1. oo 27. 92 w

ATOM 5012 OH2 WAT W 33 -14. 401 97. 721 -38. 270 1. oo 36. 63 w

ATOM 5013 OH2 WAT W 34 13. 050 59. 226 4. 280 1. oo 45. 82 w

ATOM 5014 OH2 WAT W 35 21. 642 49. 980 12. 025 1. oo 29. 32 w ATOM 5015 OH2 WAT W 36 3.932 53.022 -3.817 1.00 34.74 W

ATOM 5016 OH2 WAT W 37 -7 .554 118 .050 -30 .894 1 .00 24 .51 W

ATOM 5017 OH2 WAT W 38 -14 .283 112 .098 -17 .157 1 .00 31 .26 W

ATOM 5018 OH2 WAT W 39 -9 .826 42 .959 -9 .434 1 .00 29 .46 W

ATOM 5019 OH2 WAT W 40 10 .718 52 .582 27 .521 1 .00 24 .46 W

ATOM 5020 OH2 WAT W 41 5 .330 57 .157 -21 .225 1 .00 32 .76 W

ATOM 5021 OH2 WAT W 42 19 .633 64 .700 -18 .370 1 .00 35 .98 W

ATOM 5022 OH2 WAT W 43 -12 .365 70 .826 -o .248 1 .00 30 .75 W

ATOM 5023 OH2 WAT W 44 -15 .524 79 .727 7 .524 1 .00 31 .56 ^' W

ATOM 5024 OH2 WAT W 45 -12 .738 52 .019 -8 .285 1 .00 36 .86 W

ATOM 5025 OH2 WAT W 46 16 .527 84 .228 13 .520 1 .00 26 .92 W

ATOM 5026 OH2 WAT W 47 31 .803 57 .179 -19 .882 1 .00 37 .23 W

ATOM 5027 OH2 WAT W 48 22 .871 56 .351 -o .521 1 .00 29 .16 W

ATOM 5028 OH2 WAT W 49. 27 .577 56 .085 -1 .283 1 .00 34 .45 W

ATOM 5029 OH2 WAT W 50 20 .026 55 .976 -20 .845 1 .00 51 .13 W

ATOM 5030 OH2 WAT W 51 -18 .116 93 .336 -41 .567 1 .00 38 .56 W

ATOM 5031 OH2 WAT W 52 9 .169 51 .942 -19 .334 1 .00 38 .01 W

ATOM 5032 OH2 WAT W 53 10 .448 55 .813 27 .728 1 .00 .36 .05 W

ATOM 5033 OH2 WAT W 54 17 .655 60 .129 -5 .205 1. .00 35 .33 W

ATOM 5034 OH2 WAT W 55 -9 .238 110 .101 -35 .141 1 .00 29 .82 W

ATOM 5035 OH2 WAT W 56 25 .412 55 .973 o .200 1 .00 42 .27 W

ATOM 5036 OH2 WAT W 57 18 .551 50 .503 -15 .376 1, .00 37 .34 W

ATOM 5037 OH2 WAT W 58 9 .245 86 .521 32 .922 1, .00 27 .33 W

ATOM 5038 OH2 WAT W 59 -11 .727 96 .990 -36 .868 1. .00 43 .47 W

ATOM 5039 OH2 WAT W 60 14 .640 63 .179 -17 .007 1. .00 40 .51 W

ATOM 5040 OH2 WAT W 61 12. .514 57. .379 12, .193 1. .00 42 .27 W

ATOM 5041 OH2 WAT W 62 6. .909 65, .864 26, .290 1, .00 52 .42 w

ATOM 5042 OH2 WAT W 63 -1. .585 89, .733 16 .960 1, .00 38 .04 w

ATOM 5043 OH2 WAT W 64 -10. .769 108, .375 -26, .985 1. .00 29 .22 w

ATOM 5044 OH2 WAT W 65 -15. .657 77, .945 9, .364 1. .00 28 .83 w

ATOM 5045 OH2 WAT W 66 -14. .350 64. .718 1. .472 1. .00 32, .42 w

ATOM 5046 OH2 WAT W 67 -10. ,838 83. .711 19, .226 1. ,oo 36, .80 w

ATOM 5047 OH2 WAT W 68 26. .013 48. .893 6, .699 1. ,oo 37, .77 w

ATOM 5048 OH2 WAT W 69 14. .404 51. .695 14. .140 1. ,oo 32, .69 w

ATOM 5049 OH2 WAT W 70 -8. ,874 85. ,257 -1. .035 1. oo 40. .09 w

ATOM 5050 OH2 WAT W 71 20. ,691 76. .096 23. .606 1. oo 35. ,85 w

ATOM 5051 OH2 WAT W 72 7. ,918 39. ,414 -12. ,295 1. oo 32. .26 w

ATOM 5052 OH2 WAT W 73 -5. ,833 77. ,384 -3. .117 1. oo 31. .07 w

ATOM 5053 OH2 WAT W 74 24. 711 68. 323 11. 843 1. oo 32. ,66 w

ATOM 5054 OH2 WAT W 75 36. 679 54. 691 -15. 990 1. oo 31. ,07 w

ATOM 5055 OH2 WAT W 76 -5. 298 78. 047 -5. .769 1. oo 37. ,92 w

ATOM 5056 OH2 WAT W 77 -4. 650 84. 414 17. .291 1. oo 42. ,38 w

ATOM 5057 OH2 WAT W 78 7. 550 68. 670 8. 650 1. oo 32. 29 w

ATOM 5058 OH2 WAT W 79 -3. 586 63. 925 -23. 106 1. oo 34. 47 w

ATOM 5059 OH2 WAT W 80 2. 966 64. 749 -7. 588 1. oo 34. ,22 w

ATOM 5060 OH2 WAT W 82 -15. 850 88. 996 11. 987 1.oo 41. ,60 w

ATOM 5061 OH2 WAT W 83 -17. 008 102. 480 -34. 387 1. oo 35. 85 w

ATOM 5062 OH2 WAT W 84 26. 301 51. 491 17. 591 1. oo 44. 46 w

ATOM 5063 OH2 WAT W 85 -3. 966 40. 507 -22. 373 1. oo 41. 52 w

ATOM 5064 OH2 WAT W 86 -18. 046 98. 698 -38. 948 1. oo 31. 63 w

ATOM 5065 OH2 WAT W 87 -13. 621 74. 351 -13. 766 1. oo 31. 97 w

ATOM 5066 OH2 WAT W 88 -19. 308 66. 545 -2. 788 1.oo 40. 94 w

ATOM 5067 OH2 WAT W 89 18. 659 82. 633 26. 942 1. oo 35. 05 w

ATOM 5068 OH2 WAT W 90 17. 353 49. 071 25. 450 1. oo 29. 38 w

ATOM 5069 OH2 WAT W 91 -14. 232 104. 285 -37. 459 1. oo 35. 48 • w

ATOM 5070 OH2 WAT W 92 -12. 995 68. 106 3. 686 1. oo 44. 52 w

ATOM 5071 OH2 WAT W 93 20. 423 81. 197 31. 035 1. oo 55. 70 w

ATOM 5072 OH2 WAT W 94 -1. 615 45. 270 -8. 200 1.oo 26. 69 w

ATOM 5073 OH2 WAT W 95 -5. 440 84. 079 9. 791 1. oo 47. 14 w

ATOM 5074 OH2 WAT W 96 -14. 315 103. 049 -33. 866 1. oo 26. 24 w

ATOM 5075 OH2 WAT W 97 5. 119 69. 042 7. 297 1. oo 34. 48 w ATOM 5076 OH2 WAT W 99 14.072 79.530 29.614 1.00 30.38 W

ATOM 5077 OH2 WAT W 100 17 .269 62 .729 -5 .420 1 .00 52 .72 W

ATOM 5078 OH2 WAT W 101 14 .728 59 .501 32 .616 1 .00 53 .43 W

ATOM 5079 OH2 WAT W 102 13 .696 49 .798 15 .879 1 .00 30 .72 W

ATOM 5080 OH2 WAT W 103 -8 .044 112 .083 -26 .760 1 .00 34 .26 W

ATOM 5081 OH2 WAT W 104 10 .532 71 .780 24 .191 1 .00 39 .63 W

ATOM 5082 OH2 WAT W 105 22 .809 77 .808 22 .886 1 .00 37 .45 W

ATOM 5083 OH2 WAT W 106 8 .492 65 .263 -21 .953 1 .00 49 .77 W

ATOM 5084 OH2 WAT w 107 13 .890 63 .357 5 .924 1 .00 35 .53 W

ATOM 5085 OH2 WAT w 108 -14 .301 94 .303 -41 .701 1 .00 34 .26 W

ATOM 5086 OH2 WAT w 109 24 .607 69 .562 21 .323 1 .00 37 .74 W

ATOM 5087 OH2 WAT w 111 -10 .872 118 .259 -29 .391 1 .00 30 .77 W

ATOM 5088 OH2 WAT w 112 22 .877 74 .791 19 .212 1 .00 44 .41 W

ATOM 5089 OH2 WAT w 113 13 .413 55 .053 13 .973 1 .00 52 .77 W

ATOM 5090 OH2 WAT w 114 25 .040 53 .651 18 .285 1 .00 34 .33 W

ATOM 5091 OH2 WAT w 115 -8 .373 76 .689 -2 .455 1 .00 33 .09 W

ATOM 5092 OH2 WAT w 116 -11 .834 76 .314 -12 .630 1 .00 52 .00 W

ATOM 5093 OH2 WAT w 117 -18 .881 57 .218 -6 .989 1 .00 34 .77 W

ATOM 5094 OH2 WAT w 118 -o .592 84 .165 18 .300 1 .00 41 .83 W

ATOM 5095 OH2 WAT w 119 27 .503 58 .603 20 .430 1, .00 39 .51 W

ATOM 5096 OH2 WAT w 120 -5 .751 68 .647 -19 .574 1, .00 49 .28 W

ATOM 5097 OH2 WAT w 121 -9 .055 67 .755 1 .125 1. .00 35 .96 w

ATOM 5098 OH2 WAT w 122 23 .822 77 .298 19 .922 1, .00 34 .59 w

ATOM 5099 OH2 WAT w 123 23 .452 61 .127 -6 .100 1, .00 36 .39 w

ATOM 5100 OH2 WAT w 124 10 .444 68 .630 24 .912 1, .00 32 .74 w

ATOM 5101 OH2 WAT w 125 -3 .619 111, .852 -30 .444 1. .00 49 .22 w

ATOM 5102 OH2 WAT w 126 12. .953 48, .030 -15 .122 1. .00 34 .82 w

ATOM 5103 OH2 WAT w 127 2. .887 69, .982 8 .471 1, .00 41 .29 w

ATOM 5104 OH2 WAT w 128 16 .826 85, .011 26 .638 1. .00 46, .32 w

ATOM 5105 OH2 WAT w 129 23. .438 78, .859 10, .698 1. .00 56, .46 w

ATOM 5106 OH2 WAT w 130 8. .608 41, .959 -16, .953 1. .00 40, .23 w

ATOM 5107 OH2 WAT w 131 -16. .114 99. .744 -37. .301 1. .00 35. .16 w

ATOM 5108 OH2 WAT w 132 -14. .558 76. .596 -17. .684 1. ,00 45. .12 w

ATOM 5109 OH2 WAT w 133 17. .608 63. .871 -7. .693 1. ,00 32. .29 w

ATOM 5110 OH2 WAT w 134 -5. .304 74. .147 -11, .657 1. ,00 42. ,20 w

ATOM 5111 OH2 WAT w 135 -4. .243 75. .342 -2, .372 1. 00 30. .43 w

ATOM 5112 OH2 WAT w 136 22. .168 46. .829 7. .533 1. ,00 40. .76 w

ATOM 5113 OH2 WAT w 137 8. .221 61. .004 22. .997 1. 00 42. .75 w

ATOM 5114 OH2 WAT w 138 -2. .454 74. .840 -4. .595 1. 00 42. .07 w

ATOM 5115 OH2 WAT w 139 12. .557 60. .986 -3. .766 1. 00 37. .19 w

ATOM 5116 OH2 WAT w 140 -15. .112 56. .313 2. .328 1. 00 42. .11 w

ATOM 5117 OH2 WAT w 141 -8. ,739 107. .619 -35. .914 1. 00 31. ,68 w

ATOM 5118 OH2 WAT w 142 22. ,321 59. .080 -o. ,723 1. 00 33. ,50 w

ATOM 5119 OH2 WAT w 143 20. ,143 60. ,479 -5. ,944 1. 00 39. ,97 w

ATOM 5120 OH2 WAT w 144 18. ,593 44. ,401 -12. ,610 1. 00 51. ,25 w

ATOM 5121 OH2 WAT w 145 22. ,771 47. ,539 20. ,823 1. 00 41. ,13 w

ATOM 5122 OH2 WAT w 146 -21. ,811 79. ,520 -12. ,236 1. oo 56. ,04 w

ATOM 5123 OH2 WAT w 147 -12. ,588 93. ,163 -28. ,695 1. oo 50. ,17 w

ATOM 5124 OH2 WAT w 148 -o. ,928 81. ,152 26. ,561 1. oo 60. ,00 w

ATOM 5125 OH2 WAT w 149 -11. ,938 116. ,814 -36. ,345 1. oo 41. ,16 w

ATOM 5126 OH2 WAT w 150 18. ,827 88. ,177 24. ,888 1. 00 45. ,55 w

ATOM 5127 OH2 WAT w 151 13. ,231 72. ,329 8. ,244 1. 00 33. ,07 w

ATOM 5128 OH2 WAT w 152 1. 569 67. 202 -7. 378 1. 00 50. 49 w

ATOM 5129 OH2 WAT w 153 18. 566 63. 860 3. 904 1. 00 46. 18 w

ATOM 5130 OH2 WAT w 154 -22. 363 66. 399 -20. 171 1. 00 55. 73 w

ATOM 5131 OH2 WAT w 155 21. 423 51. 821 9. 948 1. 00 33. 35 w

ATOM 5132 OH2 WAT w 156 -23. 177 86. 182 -41. 416 1. 00 39. 37 w

ATOM 5133 OH2 WAT w 157 13. 105 68. 012 25. 266 1. 00 42. 41 w

ATOM 5134 OH2 WAT w 158 27. 963 50. 372 -6. ,682 1. 00 44. 74 w

ATOM 5135 OH2 WAT w 159 29. 321 86. 947 20. ,314 1. 00 51. 86 w

ATOM 5136 OH2 WAT w 160 3. 815 86. ,671 27. ,342 1. 00 61. 98 w ATOM 5137 OH2 WAT W 161 -11.403 47.617 -17.396 1.00 41.15 W

ATOM 5138 OH2 WAT W 162 17 .510 78 .147 31 .502 1 .00 62 .39 W

ATOM 5139 OH2 WAT W 163 29 .453 57 .926 3 .244 1 .00 45 .07 W

ATOM 5140 OH2 WAT W 164 5 .464 56 .655 23 .925 1 .00 44 .15 W

ATOM 5141 OH2 WAT W 165 4 .803 97 .207 3 .465 1 .00 45 .70 W

ATOM 5142 OH2 WAT W 166 -21 .461 110 .356 -33 .545 1 .00 39 .76 W

ATOM 5143 OH2 WAT W 167 14 .644 60 .098 1 .854 1 .00 41 .09 W

ATOM 5144 OH2 WAT W 168 20 .683 43 .353 -2 .883 1 .00 53 .74 W

ATOM 5145 OH2 WAT W 169 0 .947 107 .000 -24 .753 1 .00 45 .36 W

ATOM 5146 OH2 WAT W 170 21 .250 44 .952 -12 .183 1 .00 49 .56 W

ATOM 5147 OH2 WAT W 171 -1 .190 93 .024 2 .394 1 .00 80 .97 W

ATOM 5148 OH2 WAT W 172 -1 .091 69 .965 5 .248 1 .00 42 .60 W

ATOM 5149 OH2 WAT W 173 3 .012 61 .726 -4 .802 1 .00 45 .09 W

ATOM 5150 OH2 WAT W 174 -12 .608 60 .595 -21 .193 1 .00 48 .56 W

ATOM 5151 OH2 WAT W 175 -11 .888 68 .343 o .852 1 .00 28 .49 W

ATOM 5152 OH2 WAT W 176 13 .092 58 .715 -16 .168 1 .00 32 .23 W

ATOM 5153 OH2 WAT w. 177 -6 .108 95 .191 7 .205 1 .00 26 .62 W

ATOM 5154 OH2 WAT w 178 22 .226 55 .755 -19 .559 1 .00 47 .25 W

ATOM 5155 OH2 WAT w 179 14 .085 65 .859 6 .386 1 .00 34 .73 W

ATOM 5156 OH2 WAT w 180 -5 .353 70 .904 -o .553 1 .00 43 .51 W

ATOM 5157 OH2 WAT w 181 18 .780 69, .651 22 .470 1 .00 31 .92 W

ATOM 5158 OH2 WAT w 182 23 .627 66, .139 8 .082 1 .00 39 .36 W

ATOM 5159 OH2 WAT w 183 8 .073 63, .583 21 .061 1 .00 49 .66 W

ATOM 5160 OH2 WAT w 184 9 .871 89, .104 18 .672 1 .00 30 .40 W

ATOM 5161 OH2 WAT w 185 -15 .208 107, .164 -36 .982 1 .00 36 .88 W

ATOM 5162 OH2 WAT w 186 21. .345 83. .149 27, .857 1. .00 35 .87 W

ATOM 5163 OH2 WAT w 187 -15, .237 55. .247 -18, .463 1, .00 37, .46 w

ATOM 5164 OH2 WAT w 188 -4, .813 125. ,416 -28. .162 1, .00 62. .41 w

ATOM 5165 OH2 WAT w 190 24, .285 46. .424 4. .774 1, .00 45. .43 w

ATOM 5166 OH2 WAT w 191 -2. .000 90. .214 4. .679 1. .00 36, .41 w

ATOM 5167 OH2 WAT w 192 18. .609 62. .930 23. .593 1. .00 38. .81 w

ATOM 5168 OH2 WAT w 193 -19. .006 86. .123 9. .445 1. .00 48. .11 w

ATOM 5169 OH2 WAT w 194 20. .812 61. .813 24. .820 1. .00 36. .51 w

ATOM 5170 OH2 WAT w 195 9. ,313 55. .788 -o. .853 1. .00 36. .54 w

ATOM 5171 OH2 WAT w 196 11. .357 57. .132 o. .110 1. .00 45. .18 w

ATOM 5172 OH2 WAT w 197 -3. .591 63. .360 -13. .752 1. .00 42. .09 w

ATOM 5173 OH2 WAT w 198 -21. .935 48. ,137 -5. .123 1. .00 45. .89 w

ATOM 5174 OH2 WAT w 199 3. .190 86. ,010 -3. .279 1. ,00 40. .06 w

ATOM 5175 OH2 WAT w 200 9. .019 86. ,316 27. ,725 1. ,00 39. .85 w

ATOM 5176 OH2 WAT w 201 10. .731 62. ,917 -3. ,787 1. ,00 49. .16 w

ATOM 5177 OH2 WAT w 202 30. .527 60. ,855 -10. ,197 1. ,oo 38. .22 w

ATOM 5178 OH2 WAT w 203 -18. .332 103. ,550 -36. ,688 1. ,oo 41. ,04 w

ATOM 5179 OH2 WAT w 204 8. ,956 38. ,922 -7. .451 1. ,oo 50. ,16 w

ATOM 5180 OH2 WAT w 205 -9. ,169 50. ,327 -11. ,068 1. ,oo 42. ,31 w

ATOM 5181 OH2 WAT w 206 15. ,300 59. ,188 -o. ,874 1. ,oo 37. .81 w

ATOM 5182 OH2 WAT w 207 0. ,285 54. 156 -5. 337 1. ,00 39. .49 w

ATOM 5183 OH2 WAT w 208 29. ,855 61. ,960 13. ,892 1. ,00 53. ,08 w

ATOM 5184 OH2 WAT w 209 7. 143 86. 202 11. 975 1. oo 37. 84 w

ATOM 5185 OH2 WAT w 210 4. 176 80. 829 31. 614 1. oo 39. 04 w

ATOM 5186 OH2 WAT w 211 15. 386 47. 420 5. 118 1. oo 41. 95 w

ATOM 5187 OH2 WAT w 212 -12. 978 96. 343 -34. 242 1. oo 41. ,22 w

ATOM 5188 OH2 WAT w 213 5. 155 47. 904 -32. 114 1. oo 62. 50 w

ATOM 5189 OH2 WAT w 214 -10. 449 111. 163 -27. 704 1. oo 35. 53 w

ATOM 5190 OH2 WAT w 215 -8. 691 45. 510 -16. 987 1. oo 32. 25 w

ATOM 5191 OH2 WAT w 216 21. 027 48. 987 -16. 649 1. oo 47. 42 w

ATOM 5192 OH2 WAT w 217 -3. 272 52. 610 -29. 572 1. oo 50. ,27 w

ATOM 5193 OH2 WAT w 218 4. 647 67. 237 28. 592 1. oo 57. 86 w

ATOM 5194 OH2 WAT w 219 9. 471 41.. 549 -12. 188 1. oo 48. 55 w

ATOM 5195 OH2 WAT w 220 -33. 214 91. 577 -30. 759 1. oo 82. 47 w

ATOM 5196 OH2 WAT w 221 1. 429 37. 706 -4. 565 1. oo 44. ,95 w

ATOM. 5197 OH2 WAT w 222 2. 403 61. 131 -2. 421 1. oo 51. ,18 w ATOM 5198 OH2 WAT W 223 6.348 90.317 17.969 1.00 50.15 W

ATOM 5199 OH2 WAT W 224 -3 .555 65 .816 13 .843 1 .00 70 .45 W

ATOM 5200 OH2 WAT W 225 39 .270 57 .440 -11 .404 1 .00 60 .64 W

ATOM 5201 OH2 WAT W 226 3 .409 95 .108 -0 .436 1 .00 78 .22 W

ATOM 5202 OH2 WAT W 227 -5 .043 76 .592 22 .720 1 .00 45 .39 W

ATOM 5203 OH2 WAT W 228 7 .167 92 .022 -0 .676 1 .00 46 .46 W

ATOM 5204 OH2 WAT W 229 -22 .245 59 .179 -3 .507 1 .00 46 .21 W

ATOM 5205 OH2 WAT W 230 20 .762 66 .714 6 .788 1 .00 52 .61 w

ATOM 5206 OH2 WAT W 231 15 .497 51 .123 10 .790 1 .00 42 .37 w

ATOM 5207 OH2 WAT W 232 -15 .635 75 .935 -15 .319 1 .00 60 .31 w

ATOM 5208 OH2 WAT W 233 -26 .676 78 .767 -32 .201 1 .00 67 .05 w

ATOM 5209 OH2 WAT W 234 -9 .156 1-09 .993 -25 .204 1 .00 45 .20 w

ATOM 5210 OH2 WAT W 235 -12 .328 124 .057 -35 .807 1 .00 68 .18 w

ATOM 5211 OH2 WAT W 236 15 .231 42 .405 -12 .592 1 .00 35 .04 w

ATOM 5212 OH2 WAT W 237 26 .254 63 .743 5 .290 1 .00 43 .83 w

ATOM 5213 OH2 WAT W 238 -16 .213 82 .150 17 .743 1 .00 46 .32 w

ATOM 5214 OH2 WAT w 239 - 13 .604 59 .058 7 .692 1 .00 39 .65 w

ATOM 5215 OH2 WAT w 240 -7 .225 105 .282 -32 .853 1 .00 41 .83 w

ATOM 5216 OH2 WAT w 241 20 .113 60 .460 -1 .415 1 .00 44 .41 w

ATOM 5217 OH2 WAT w 242 o .208 77 .503 33 .905 1 .00 48 .32 w

ATOM - 5218 OH2 WAT w 243 -21 .277 80 .045 -9 .008 1 .00 52 .24 w

ATOM 5219 OH2 WAT w 244 -10 .533 90 .082 -o .159 1 .00 60 .56 w

ATOM 5220 OH2 WAT w 245 13 .763 47 .180 o .235 1 .00 37 .98 w

ATOM 5221 OH2 WAT w 246 -4 .138 91, .700 o .508 1 .00 51. .78 w

ATOM 5222 OH2 WAT w 247 18 .370 78, .713 9 .341 1, .00 45. .99 w

ATOM 5223 OH2 WAT w 248 6 .896 69, .950 4 .845 1. .00 65. .54 w

ATOM 5224 OH2 WAT w 249 -1 .883 88, .469 19 .279 1, .00 51. .42 w

ATOM 5225 OH2 WAT w 250 22, .156 85, ,781 27 .974 1. .00 47, .85 w

ATOM 5226 OH2 WAT w 251 -19, .065 78. .122 12, .917 1, .00 56, .90 w

ATOM 5227 OH2 WAT w 252 5, .387 61. ,295 21, .472 1. .00 47, .44 w

ATOM 5228 OH2 WAT w 253 -21. .500 73. .134 -16, .645 1. .00 46. .56 w

ATOM 5229 OH2 WAT w 254 7. .080 52. .926 -20, .333 1. .00 55. .31 w

ATOM 5230 OH2 WAT w 255 1. ,452 63. .000 -6, .477 1. .00 37. .66 w

ATOM 5231 OH2 WAT w 256 -8. .336 77. ,717 16. .953 1. .00 65. .12 w

ATOM 5232 OH2 WAT w 257 25. .310 45. ,649 11. .220 1. .00 41. .42 w

ATOM 5233 OH2 WAT w 258 -29. .655 89. ,658 -32. .256 1. ,oo 45. ,75 w

ATOM 5234 OH2 WAT w 259 9. .955 85. ,520 10. .473 1. ,oo 52. ,19 w

ATOM 5235 OH2 WAT w 260 -20. ,943 81. ,947 14. .272 1. .00 66. ,07 w

ATOM 5236 OH2 WAT w 261 -2. ,301 90. 273 -2. .477 1. .00 63. ,01 w

ATOM 5237 OH2 WAT w 262 -30. ,176 95. 376 -27. .432 1. 00 71. 51 w

ATOM 5238 OH2 WAT w 263 -18. 187 60. 868 7. .058 1. 00 70. 29 w

ATOM 5239 OH2 WAT w 264 -28. 203 68. !l62 -1. ,177 1. 00 66. 56 w

ATOM 5240 OH2 WAT w 265 -0. 782 82. 659 22. ,343 1. 00 48. 41 w

ATOM 5241 OH2 WAT w 266 -22. 553 68. 351 -17. 680 1. 00 48. 74 w

ATOM 5242 OH2 WAT w 267 2. 862 64. 864 21. 354 1. 00 44. 95 w

ATOM 5243 OH2 WAT w 268 8. 473 89. 185 21. 019 1. 00 43. 16 w

ATOM 5244 OH2 WAT w 269 -10. 557 76. 868 -10. 382 1. 00 57. 87 w

ATOM 5245 OH2 WAT w 270 3. 776 67. 616 -9. 764 1. 00 46. 02 w

ATOM 5246 OH2 WAT w 271 -23. 773 81. 750 5. 684 1. 00 62. 60 w

ATOM 5247 OH2 WAT w 272 23. 974 44. 806 26. 071 1. 00 73. 15 w

ATOM 5248 OH2 WAT w 273 -3. 329 94. 217 o. 557 1. 00 53. 88 w

ATOM 5249 OH2 WAT w 274 -17. 411 49. 398 -2. 251 1. 00 49. 58 w

ATOM 5250 OH2 WAT w 276 27. 795 72. 715 16. 703 1. oo 41. 41 w

ATOM 5251 OH2 WAT w 277 -2. 782 100. 558 -29. 026 1. oo 44. 61 w

ATOM 5252 OH2 WAT w 278 -15. 161 71. 109 -22. 336 1. oo 50. 04 w

ATOM 5253 OH2 WAT w 279 15. 991 66. 544 -6. 052 1. oo 56. 83 w

ATOM 5254 OH2 WAT w 281 -1. 376 84. 894 -10. 019 1. oo 58. 44 w

ATOM 5255 OH2 WAT w 282 -1. 936 74. 967 13. 778 1. oo 38. 47 w

ATOM 5256 OH2 WAT w 284 23. 518 46. 574 -12. 094 1. oo 69. 52 w

ATOM 5257 OH2 WAT w 285 17. 660 81. 304 28. 889 1. oo 45. 74 w

ATOM 5258 OH2 WAT w 286 11. 356 48. 497 -2. 021 1. oo 41. 75 w ATOM 5259 OH2 WAT W 287 12.829 47.355 4.890 1.00 56.04 W

ATOM 5260 0H2 WAT W 288 -21 .087 54 .905 -12 .110 1 .00 40 .56 W

ATOM 5261 OH2 WAT W 289 -4 .800 115 .631 -38 .238 1 .00 56 .31 W

ATOM 5262 OH2 WAT W 290 25 .647 48 .890 17 .372 1 .00 41 .76 W

ATOM 5263 OH2 WAT W 291 4 .926 64 .431 -20 .114 1 .00 37 .17 W

ATOM 5264 OH2 WAT W 292 -22 .802 104 .682 -22 .496 1 .00 52 .94 W

ATOM 5265 OH2 WAT W 293 -8 .304 74 .936 -16 .437 1 .00 48 .95 W

ATOM 5266 OH2 WAT W 294 30 .132 56 .999 6 .167 1 .00 50 .52 W

ATOM 5267 OH2 WAT W 295 22 .828 75 .129 29 .572 1 .00 63 .76 W

ATOM 5268 OH2 WAT W 296 -9 .244 97 .939 -37 .119 1 .00 50 .95 W

ATOM 5269 OH2 WAT W 297 -7 .000 89 .581 20 .298 1 .00 48 .35 W

ATOM- 5270 OH2 WAT W 298 8 .681 50 .157 -2 .794 1 .00 37 .90 W

ATOM 5271 OH2 WAT W 299 21 .187 46 .658 -14 .533 1 .00 65 .56 W

ATOM 5272 OH2 WAT W 300 26 .549 51 .795 22 .246 1 .00 37 .49 W

ATOM 5273 OH2 WAT w 301 -1 .001 67 .931 8 .006 1 .00 44 .78 W

ATOM 5274 OH2 WAT w 302 12 .120 52 .715 3 .192 1 .00 65 .86 W

ATOM 5275 OH2 WAT w 303 33 .799 55 .925 -18 .125 1 .00 52 .03 W

ATOM 5276 OH2 WAT w 304 15 .679 73 .523 28 .485 1 .00 56 .28 W

ATOM 5277 OH2 WAT w 305 -14 .530 90 .220 -39 .456 1 .00 49 .14 W

ATOM 5278 0H2 WAT w 306 18 .982 46 .947 13 .232 1 .00 64 .68 W

ATOM 5279 OH2 WAT w 307 -15 .467 50 .663 -3 .686 1 .00 64 .93 W

ATOM 5280 OH2 WAT w 308 1 .726 48 .246 -3 .212 1 .00 52 .10 W

ATOM 5281 OH2 WAT w 309 -8 .945 63 .304 -19. .134 1, .00 55 .72 W

ATOM 5282 OH2 WAT w 310 -9 .971 66 .341 -20 .101 1, .00 66 .55 W

ATOM 5283 OH2 WAT w 311 1 .460 61 .995 14 .970 1, .00 63 .53 W

ATOM 5284 OH2 WAT w 312 -5 .154 67, .530 17 .317 1. .00 45. .99 w

ATOM 5285 OH2 WAT w 313 -0. .712 70, .823 25 .272 1, .00 52. .94 w

ATOM 5286 OH2 WAT w 314 -5, .913 80, .590 17. .501 1. .00 44. .68 w

ATOM 5287 OH2 WAT w 315 -14 .948 73, .625 13 .224 1. .00 49, .78 w

ATOM 5288 OH2 WAT w 316 24 .681 44, .262 -5 .241 1, .00 69, .63 w

ATOM 5289 OH2 WAT w 317 -11, .648 84. .359 -1, .562 1. .00 52. .17 w

ATOM 5290 OH2 WAT w 318 1, .812 82, .954 19. .391 1. .00 50, .29 w

ATOM 5291 OH2 WAT w 319 -22, .636 63. .239 -1. .935 1. .00 83. .90 w

ATOM 5292 OH2 WAT w 320 28, .113 61. .097 19, .601 1. .00 59. .74 w

ATOM 5293 OH2 WAT w 321 -7. .894 91. .584 -7, .893 1, .00 70. .76 w

ATOM 5294 OH2 WAT w 322 -16. .251 93. ,408 -9. .264 1. .00 66. .55 w

ATOM 5295 OH2 WAT w 323 -13. .787 65. ,543 -22. .547 1. .00 45. ,81 w

ATOM 5296 OH2 WAT w 324 -2. .457 48. ,036 -30. ,107 1. 00 60. ,71 w

ATOM 5297 OH2 WAT w 325 6. .642 54. ,292 -3. ,460 1. 00 56. ,26 w

ATOM 5298 OH2 WAT w 326 23. .090 56. ,194 -17. ,159 1. 00 40. ,87 w

ATOM 5299 OH2 WAT w 327 5. ,181 65. 872 -7. ,090 1. 00 55. 39 w

ATOM 5300 OH2 WAT w 328 -13. ,111 93. ,805 -34. ,805 1. 00 76. 93 w

ATOM 5301 OH2 WAT w 329 33. 756 56. 363 -1. ,085 1. 00 64. 28 w

ATOM 5302 0H2 WAT w 330 -8. 275 104. 467 -11. 138 1. 00 59. 06 w

ATOM 5303 OH2 WAT w 331 -7. ,713 100. 195 -14. ,365 1. 00 65. 80 w

ATOM 5304 OH2 WAT w 332 1. 439 109. 097 -28. 855 1. 00 64. 91 w

ATOM 5305 OH2 WAT w 333 18. 216 69. 628 9. 145 1. 00 46. 47 w

ATOM 5306 OH2 WAT w 334 -5. 814 38. 598 -18. 209 1. 00 53. 62 w

ATOM 5307 OH2 WAT w 335 -16. 954 86. 269 11. 816 1. 00 44. 66 w

ATOM 5308 OH2 WAT w 336 -2. 258 51. 281 -31. 561 1. 00 61. 11 ^■w

ATOM 5309 OH2 WAT w 337 -2. 901 113. 926 -37. 697 1. 00 47. 31 w

ATOM 5310 OH2 WAT w 338 12. 647 69. 965 -15. 825 1. 00 63. 27 w

ATOM 5311 OH2 WAT w 339 38. 525 61. 307 -8. 347 1. 00 58. 27 w

ATOM 5312 OH2 WAT w 340 -4. 887 56. 906 -25. 864 1. 00 46. 46 w

ATOM 5313 OH2 WAT w 341 -9. 246 83. 190 -7. 844 1. 00 72. 13 w

ATOM 5314 OH2 WAT w 342 -15. 106 92. 367 8. 087 1. 00 58. 83 w

ATOM 5315 OH2 WAT w 343 -8. 861 87. 378 20. 757 1. 00 51. 55 w

ATOM 5316 OH2 WAT w 344 1. 525 70. 271 26. 980- 1. 00 57. 22 w

ATOM 5317 OH2 WAT w 345 7. 643 63. 535 27. 123 1. 00 51. 12 w

ATOM 5318 OH2 WAT w 346 2. 266 55. 225 -3. 806 1. 00 46. 71 w

ATOM 5319 OH2 WAT w 347 22. 094 45. 413 -9. 799 1. 00 52. 62 w ATOM 5320 OH2 WAT W 348 1.397 45.084 -4.408 1.00 47.90 W

ATOM 5321 OH2 WAT W 349 -13 .743 72 .637 8 .156 1 .00 54 .95 W

ATOM 5322 OH2 WAT W 350 11 .041 42 .465 -17 .997 1 .00 58 .58 W

ATOM 5323 OH2 WAT W 351 25 .439 86 .486 26 .240 1 .00 55 .86 W

ATOM 5324 OH2 WAT W 353 13 .415 46 .787 -2 .385 1 .00 54 .33 W

ATOM 5325 OH2 WAT W 354 -11 .214 70 .614 9 .439 1 .00 43 .39 W

ATOM 5326 OH2 WAT W 355 -12 .740 70 .459 6 .043 1 .00 43 .90 , W

ATOM 5327 OH2 WAT W 356 -11 .957 51 .540 -1 .675 1 .00 52 .25 W

ATOM 5328 OH2 WAT W 357 22 .828 41 .319 20 .678 1 .00 79 .33 W

ATOM 5329 OH2 WAT W 358 -10 .240 114 .737 -36 .832 1 .00 51 .85 W

ATOM 5330 OH2 WAT W 359 1 .661 63 .905 24 .296 1 .00 66 .98 W

ATOM 5331 OH2 WAT W 360 -1 .435 75 .069 24 .951 1 .00 52 .08 W

ATOM 5332 OH2 WAT W 361 -38 .307 50 .690 15 .424 1 .00 44 .55 W

ATOM 5333 OH2 WAT W 362 -13 .216 123 .777 -31 .504 1 .00 60 .92 W

ATOM 5334 OH2 WAT W 363 -20 .147 111 .906 -28 .803 1 .00 52 .36 W

ATOM 5335 OH2 WAT W 364 -5 .505 85 .657 19 .278 1 .00 62 .68 W

ATOM 5336 OH2 WAT W 365 -4 .906 91 .047 -1 .979 1 .00 67 .16 W

ATOM 5337 OH2 WAT W 366 23 .487 76 .175 10 .918 1 .00 57 .63 W

ATOM 5338 OH2 WAT W 367 -16 .091 75 .267 8 .670 1 .00 53 .65 W

ATOM 5339 OH2 WAT W 368 -13 .646 95 .057 -39 .270 1 .00 66 .02 W

ATOM 5340 OH2 WAT W 369 6 .802 88 .211 10, .048 1, .00 48 .88 W

ATOM 5341 OH2 WAT W 370 -13 .625 55 .300 -20. .790 1, .00 58 .83 W

ATOM 5342 OH2 WAT W 371 3 .050 42 .910 -4 .969 1, .00 53 .10 W

ATOM 5343 OH2 WAT W 372 -1 .852 37, .396 -20. .679 1, .00 45 .34 W

ATOM 5344 OH2 WAT W 373 -o .473 58, .866 -25, .208 1, .00 42 .24 W

ATOM 5345 OH2 WAT W 374 24 .778 46, .958 27, .817 1, .00 66 .74 W

ATOM 5346 OH2 WAT W 375 28, .467 62, .990 -17. .882 1. .00 55. .26 W

ATOM 5347 OH2 WAT W 376 -31, .702 77, .600 -34. .986 1. .00 64. .47 w

ATOM 5348 OH2 WAT W 377 20, .698 78, .605 10. .353 1. .00 58 .77 w

ATOM 5349 OH2 WAT W 378 -21, .786 74. .954 -1. .625 1. ,00 47. .40 w

ATOM 5350 OH2 WAT W 379 25. .653 61. .531 20. .002 1. ,00 57. .93 w

ATOM 5351 OH2 WAT W 380 6. .827 86. .312 26. .387 1. .00 52, .95 w

ATOM 5352 OH2 WAT W 383 18. ,578 45. .078 2. .271 1. ,00 43. .09 w

ATOM 5353 OH2 WAT W 384 -11. ,273 90. ,824 11. .480 1. .00 46. .08 w

ATOM 5354 OH2 WAT W 385 -20. .648 70. ,682 -17. .466 1. ,oo 42. .24 w

ATOM 5355 OH2 WAT W 386 8. ,928 66. ,257 -12. .076 1. oo 46. .57 w

ATOM 5356 OH2 WAT W 387 o. ,477 87. ,625 12. ,579 1. oo 44. .02 w

ATOM 5357 OH2 WAT W 388 -21. 967 63. 787 -15. 772 1. oo 45. ,60 w

ATOM 5358 OH2 WAT W 389 -13. 577 55. 246 -14. 533 1. oo 55. 69 w

ATOM 5359 OH2 WAT W 390 -26. 142 66. 484 -13. 963 1. oo 62. ,51 w

ATOM 5360 OH2 WAT W 391 -22. 376 84. 918 -30. 857 1. 00 86. 46 w

ATOM 5361 OH2 WAT W 392 20. 611 43. 653 1. 485 1. 00 58. 27 w

ATOM 5362 OH2 WAT W 393 -3. 639 110. 802 -7. 030 1. 00 60. 05 w

ATOM 5363 OH2 WAT W 394 -30. 685 91. 096 -34. 346 1. oo 63. 28 w

ATOM 5364 OH2 WAT W 395 -1. 268 65. 812 10. 920 1. oo 62. 29 w

ATOM 5365 OH2 WAT W 396 -12. 214 86. 323 -8. 676 1. oo 71. 80 w

ATOM 5366 OH2 WAT W 397 -2. 011 99. 829 -12. 039 1. 00 83. 24 w

ATOM 5367 OH2 WAT W 398 -15. 127 57. 615 -23. 072 1. 00 56. 14 w

ATOM 5368 OH2 WAT W 399 -13. 048 112. 740 -27. 423 1. oo 47. 86 w

ATOM 5369 OH2 WAT W 400 -7. 178 48. 688 -8. 225 1. 00 54. 77 w

ATOM 5370 OH2 WAT W 401 3. 738 90. 097 7. 817 1. oo 69. 81 w

ATOM 5371 OH2 WAT W 402 26. 577 68. 061 22. 740 1. oo 65. 26 w

ATOM 5372 OH2 WAT W 403 -4. 665 46. 027 -25. 220 1. oo 50. 76 w

ATOM 5373 OH2 WAT W 404 41. 984 62. 455 -8. 455 1. 00 63. 63 w

ATOM 5374 OH2 WAT W 405 -12. 138 106. 733 -11. 067 1. 00 80. 43 w

ATOM 5375 OH2 WAT W 406 12. 120 49. 098 -17. 512 1. oo 48. 68 w

ATOM 5376 OH2 WAT W 407 2. 950 85. 049 20. 672 1. oo 51. 33 w

ATOM 5377 OH2 WAT W 408 -18. 778 54. 674 -6. 823 1. 00 50. 89 w

END

Claims

Claims

1. A method for identifying a compound which mpdulates the activity pf the Mycpbacterial rrn anti-terminatipn cpmplex, comprising the steps of:

(a) providing the structure of NusA as defined by the cpordinates in Table 2 ;

(b) providing the structure of a test compound;

(c) fitting the test cpmpound to the structure of NusA pf Table 2; and,

(d) selecting the test ccmppund.

2. A method accprding to claim 1 wherein the test cpmppund is fitted tp a plurality pf binding sites which interact with a ligand selected frpm the grpup cpnsisting pf a rrn nucleic acid, RNA polymerase, NusB, NusC, NusG and NusE.

3. A methcd according tc claim 2 wherein said plurality cf binding sites are cpmprised within a group of residues selected frpm the grpup cpnsisting - f residues 1 tp 99, residues 108-184, residues 186-281 and residues 285-328.

4. A methpd pf identifying a candidate mcdulator ccmpound which disrupts the anti-terminatipn pf transcripticn in mycobacteria, the method comprising; i) introducing into a computer system informatipn which define a structural ccnfprmatipn pf a M. tuberculosis NusA molecule based on three dimensional structure determinatipn, said confprmatipn cpmprising a binding site fprmed by the interactipn pf two or more of residues 1 to 328 of the M. tuberculosis NusA sequence having the atomic ccordinates shpwn in Table 2, wherein said system utilises pr displays the three dimensipnal structure thereof, ii) generating a three dimensipnal representatipn pf said binding site pf said molecule in said computer system, iii) superimpcsing a mpdel pf the test compound on the model of the binding site of said NusA, iv) assessing whether said test comppund mpdel fits spatially into the binding site pf said NusA, v) inccrporating said test ccmpound in an assay methcd fpr a determining the binding pf said NusA mplecule to an rrn nucleic acid cr RNA pplymerase pr an assay method fpr determining the activity pf a Mycpbacterial rrn anti- terminatipn ccmplex, vi) determining whether said test cpmppund inhibits NusA binding activity cr Mycpbacterial rrn anti-terminaticn activity in said assay.

5. A methcd acccrding to claim 4 wherein said binding site is formed by the interaction cf a grpup of residues selected frcm the grpup ccnsisting pf residues 1-99, 108-184, 186- 281, 285-328 and 108-328 of the M. tuberculosis NusA sequence .

6. A computer-based method pf ratipnal drug design which comprises : providing the cpprdinates pf at least two atpms pf Table 2 pf M. tuberculosis NusA; providing the structure cf a candidate ligand or binding molecule; and, fitting the structure cf candidate tc the coordinates cf the NusA provided.

7 . A methpd acccrding to claim 6 comprising providing the cpprdinates pf at least 100 atpms of M. tuberculosis NusA.

8. A method according tc claim 6 cr claim 7 ccmprising prpviding the' atomic cpprdinates of one or more pf the following residues; R110, R121, R124, R128, R134, R162, R164, R172, R175, R190, R224, R242, R244, R266, R288, R291, R311, R315, R320, R324, R341 and R347.

9. A method acccrding to any one pf claims 6 tc 8 ccmprising prcviding the atpmic coordinates cf one pr more pf the fpllpwing residues; R183, E196, R213, H216, K219, G237, P238, M239, G240, K254, Q308 and K305.

10. A method acccrding tc any one pf claims 6 tc 9 comprising providing the atpmic coordinates cf one pr more of the follpwing residues; H9, R15, K27, R35, H36, H40, R45, R50, K51, R56, R60, R81, R88, R94 and R96.

11. A cpmputer based methpd pf ratipnal drug design which comprises : providing the coordinates cf at least a sub-dpmain pf M. tuberculcsis NusA, prpviding the structure of a test ccmppund, fitting the structure of the test compcund tp the cpprdinates pf the NusA sub-dpmain prpvided.

12. A cpmputer-based methpd acccrding to claim 11 wherein . said ccordinates are selected from the group ccnsisting pf the cpprdinates pf residues 1-99, ^' 108-184 , 186-281, 285-328 and 108-328.

13. A methpd acccrding to claim 12 wherein at least half the members of each group are used.

14 . A methpd pf identifying an agent which mcdules Rhp dependent anti - terminatipn comprising ; growing a supplementary crystal from a solutipn containing a complex of NusA and a ligand selected from the group consisting of RNA pplymerase and rrn nucleic acid cr a fragment therepf , in the presence cf a potential agent , wherein the agent decreases the binding af f inity cf the complex under conditipns which allow the cpmplex to form, determining the three dimensional structure and coprdinates by X ray dif fracticn using mplecular replacement analysis , selecting a second generaticn agent by rational drug design with the 3 dimensional cpprdinates determined fpr the supplementary crystal , wherein said selecticn is perfprmed in ccnj unction with computer mcdeling .

15. A methpd according tc claim 14 wherein the selecticn is performed by ccmparing the three dimensional cpprdinates determined fpr the supplementary crystal with the 3 dimensicnal cpprdinates shpwn in Table 2.

16. A methpd according to any cne of the preceding claims comprising obtaining pr synthesising the test ccmppund.

17. A methpd acccrding to any cne pf the preceding claims comprising the further steps of; contacting the test compound with NusA or a fragment thereof, and; determining the ability of the test compound to interact with NusA or the fragment .

18. A method according to any one of the preceding claims comprising the further steps of; contacting NusA or a fragment thereof and a ligand selected from the group consisting of an rrn nucleic acid molecule, RNA polymerase NusB, NusC, NusG and NusE, in the presence and absence of test compound, and; 5 determining the binding of said NusA with said ligand, a change in binding in the presence relative to the absence of test compound being indicative that the compound modulates Mycobacterial rrn anti-termination activity.

10 19. A method according to claim 18 wherein said NusA fragment comprises or consists of residues 1-99, residues 100-107, residues 108-184, residues 186-281 or residues 285- 328 of the NusA sequence.

15 20. A method according to claim 18 or claim 19 wherein binding is determined by measuring the binding affinity of NusA for said ligand- in the presence of the test compound and comparing said binding affinity to the binding affinity in the absence of the test compound,

20 a change in said binding affinity in the presence relative to the absence of the test compound being indicative . that said test compound is a modulator.

21. A method of any one of the preceding claims which -25 further comprises the steps of; forming a complex of M. tuberculosis NusA and said test compound and analyzing said complex by X ray crystallography to determine the ability pf the test compound to interact with said NusA.

30

22. A method for obtaining a compound which modulates the activity of the Mycobacterial rrn anti-termination complex, the method including: (a) bringing into contact a NusA polypeptide and an rrn nucleic acid in the presence of the test compound; and,

(b) determining binding and/or interaction between the rrn nucleic acid and the NusA polypeptide.

23. An method according to claim 22 wherein said polypeptide and said nucleic acid are contacted under conditions in which, in the absence of the test compound, the NusA polypeptide will interact or bind with the rrn ^■ nucleic acid.

24. A method according to claim 22 or claim 23 wherein the rrn nucleic acid is an rrnA leader sequence.

25. A method to claim 22 or claim 23 wherein the rrn nucleic acid comprises a nucleic acid cpnsisting pf the residues 20 to 63 of the rrn leader sequence.

26. A method according to claim 22 or claim 23 wherein the rrn nucleic acid comprises or consists of the nucleic acid sequence; AAACAAGCAAGCGTGTTGTTTGAGAACTCAATAGTGTGTTTGG.

27. A method according to any one of claims 22 to 26 comprising the further steps of;

(a) employing three-dimensional atomic coordinate data according to Table 2 to characterise a plurality of binding sites

(b) providing the structure of the test compound; (c) fitting the test compound to the binding sites; and, (d) selecting the test compound.

28. A method according to claim 27 comprising the step of modifying the test compound to optimise the fit to said binding sites.

29. A method according to any one of claims 22 to 28 comprising the further steps of; obtaining or synthesising the test compound; forming a complex of NusA or a NusA fragment and the test compound; and, analysing said complex by X-ray crystallography or NMR spectroscopy to determine the ability of the test compound to interact with NusA.

30. A method according to any one of the preceding claims comprising identifying a test compound as an agent which modulates the activity of the Mycobacterial rrn anti- termination complex.

31. A method according to claim 30 comprising isolating a test compound identified as a modulator of Mycobacterial rrn anti-termination- complex activity.

32. A method according to claim 31 comprising formulating the test compound into a composition with a pharmaceutically acceptable excipient

33. A method of producing a pharmaceutical composition comprising; identifying a compound which modulates the activity of a Mycobacterial rrn anti-termination complex using a method according to any one of claims 1 to 29; and, admixing the compound identified thereby with a pharmaceutically acceptable carrier.

34. A method according to claim 33 comprising the step of modifying the compound to pptimise the pharmaceutical properties thereof.

35. A method for preparing a pharmaceutical compositipn for treating a mycobacterial infection comprising; ' i) identifying a compound which is a modulator of Mycobacterial rrn anti-termination complex activity using a method according to any one of claims 1 to 29, ii) synthesising the identified compound, and; iii) incorporating the comppund into a pharmaceutical composition.

36. A compound which is identified as a modulator of NusA activity by a method according to claim 30.

37. A pharmaceutical composition comprising a compound according to claim 36.

38. A method comprising administration of a composition according to claim 37 to a patient for treatment of a mycobacterial infection.

39. Use of a compound according to claim 36 in the manufacture of a medicament for the treatment of a mycobacterial infection.

40. A method of making a pharmaceutical composition comprising admixing a compound according to claim 36 with a pharmaceutically acceptable excipient.

41. A crystal having the three dimensional atomic coordinates shown in Table 2.