WO2002050254A2

WO2002050254A2 - Crystal structure of glycogen synthase kinase 3 beta

Info

Publication number: WO2002050254A2
Application number: PCT/GB2001/005632
Authority: WO
Inventors: Benjamin Bax; Murray Brown; Alastair Reith
Original assignee: Smithkline Beecham P.L.C.
Priority date: 2000-12-18
Filing date: 2001-12-18
Publication date: 2002-06-27
Also published as: AU2002222274A1; WO2002050254A3

Abstract

Glycogen Synthase Kinase 3 (GSK-3), particularly the beta form (GSK-β) is disclosed in crystalline form. Atomic coordinates and their use in the design or selection of inhibitors and activators of GSK-3 is disclosed. A complex of GSK-3β with FRAT-tide is also disclosed. Machine readable data carriers and computer systems together with methods for rational drug design are also taught.

Description

Novel Method and Compounds

Field of the Invention

The invention relates to the identification of ligand binding sites of kinases and methods for enabling the design and selection of inhibitors, and/or activators of kinases which contain such ligand binding sites.

Summary of the Invention

The present invention provides new kinase compositions, in particular GSK-3 β compositions, in crystalline form. In one aspect the crystalline form comprises GSK-3 β in complex with the 39mer peptide FRAT-tide.

In particular the present invention provides new kinase compositions characterized by one or more ligand binding sites defined by the three dimensional (ie. spatial) arrangement of amino acids ofthe GSK-3 β polypeptide. In another aspect the invention relates to new FRAT-tide compositions characterised by a GSK-3 β binding site defined by the spatial arrangement of amino acids ofthe FRAT-tide polypeptide.

In a further aspect the invention provides for the use ofthe kinase and FRAT-tide three dimensional structural data in methods for designing or identifying kinase or FRAT- tide inhibitors. In this respect the invention further provides data representing the coordinates ofthe three dimensional structures of a GSK-3 :FRAT-tide crystal, or ligand binding sites thereof, and the use of these data in methods for designing or identifying such inhibitors, which methods include the use of computerised systems.

The invention also relates to compounds designed or identified using the structures and methods ofthe invention and the use thereof in the treatment of type II diabetes (non- insulin dependent diabetes mellitus, NIDDM), obesity, neurodegenerative disease, for example Alzheimer's disease and other indications such as stroke and mood disorders such as bipolar depression, unipolar depression and schizophrenia and cancer.

Description ofthe Invention

Glycogen synthase kinase 3 (hereinafter GSK-3) is a serine/threonine protein kinase of which there are two isoforms, GSK-3 α and GSK-3 β. The polypeptide sequences of

GSK-3α and GSK-3β are shown, respectively, in SEQ ID NO:l (Hoshino, T et al, GenBank

Accession No: D63424) and SEQ ID NO:2 (Rhoads, AR et al, SWISS-PROT Accession

No: P49841; SEQ ID NO:2 has a leucine residue at position 350 rather than the histidine present at this position in P49841; this is due to a polymorphism in the human GSK-3 β gene (Aoki et al. (2000) Acta Cryst. D56, 1464-1465). The catalytic domains of mammalian GSK-3 α and GSK-3 β share 95% sequence identity at the amino acid level, whereas there amino- and carboxy-termini are less conserved (sequence alignment shown in Figure la and Fig lb).

GSK-3 was originally identified for its ability to phosphorylate glycogen synthase, the rate-limiting enzyme in glycogen synthesis. However, it is now apparent that GSK-3 has many putative targets including β-catenin (Hart et al. (1998) Curr. Biol., 8, 573-581) and the neuronal microtubule associated proteins MAP1-B (Lucas, et al. (1998) J. Cell. Sci., I l l, 1351-1361; Goold et al. (1999) J. Cell. Sci., 112, 3373-3384) and Tau (Hong et al. (1997) J. Biol. Chem., 272, 25326-25332; Sperber et al. (1995) Neurosci Lett., 197, 149-153; Wang et al. (1998) FEBS Lett., 436, 28-34, Ramon et al. (1997) FEBS Lett., 411, 183-188). Inhibitors of GSK-3 have potential use as therapeutic agents not only in type II diabetes (non-insulin dependent diabetes mellitus, NIDDM) and obesity, but in neurodegenerative disease, for example Alzheimer's disease and other indications such as stroke, mood disorders such as bipolar depression, unipolar depression and schizophrenia. A GSK-3 binding protein (GBP) identified in Xenopus laevis appears to play an important role in the dorsal-ventral axis in early development (Yost et al. (1998) Cell, 93, 1031-1041). Frequently rearranged in advanced T-cell lymphomas 1 (FRAT-1) and the closely related protein FRAT-2 are mammalian homologues of GBP. A 39 amino acid residue peptide known as FRAT-tide (corresponding to residues 188-226 ofthe FRATl precursor polypeptide, eg. Jonkers, J et al GenBank Accession No. NP005470) has been shown to bind to GSK-3 and inhibit GSK-3 activity, in vitro, towards β-catenin and Tau, but not towards glycogen synthase (Thomas et al., (1999) FEBS Left. 458(2):247-51.). The microinjection of FRAT-1 recombinant expression vectors to rat sympathetic neurons can inhibit neuronal cell death (Crowder and Freeman (2000) J.Biol.Chem. 275, 34266-34271). One model for the function of FRAT-1 (and related proteins) is that FRAT-1 can bind to GSK-3 inhibiting the binding of Axin and thus disrupting the GSK-3/Axin/β-catenin complex thereby inhibiting GSK-3 from phosphorylating β-catenin and Axin (and increasing the pool of free β-catenin). Phosphorylated cytosolic β-catenin is targeted for degradation, while free β-catenin can interact with TCF LEF family of transcription factors. Small molecules which mimic FRAT-tide have potential use as therapeutic agents in the treatment of neurodegenerative diseases including Alzheimers disease, while small molecules which inhibit FRAT-tide binding to GSK-3 have potential use as therapeutic agents in certain human cancers.

Phosphorylation of GSK-3 α on serine 21 or of GSK-3 β on serine 9, by protein kinase B (PKB) inhibits GSK3 activity (Shaw et al. (1997) FEBS lefts, 416, 307-311). The phosphorylated residue is thought to direct the N-terminal residues of GSK-3 to lie in the active site of GSK-3 and act as an inhibiting pseudo-substrate. Certain substrates, such as glycogen synthase, require priming phosphorylations at a residue four residues C-terminal to the serine which will be phosphorylated by GSK-3 (in order for these substrates to be good substrates for GSK-3). There is a binding site for a phosphorylated serine residue on GSK-3 which is close to the active site.

The present invention provides new kinase compositions, particularly GSK-3 β compositions, in crystalline form. In one aspect the crystalline form comprises GSK-3 β in complex with a GSK-3 β ligand, the 39mer peptide FRAT-tide. This complex is hereinafter referred to as "GSK-3:FRAT-tide".. The FRAT-tide binding site on GSK-3β overlaps with that for Axin. Molecules which bind to GSK3 and block FRAT-tide binding would have potential as therapeutic agents which could be used for blocking GSK-3 β kinase activity against some, but not all, GSK3β targets. Such inhibitors may be useful in the treatment of neurodegenerative diseases, for example Alzheimer's disease and other indications such as stroke and mood disorders such as bipolar depression, unipolar depression and schizophrenia. Small molecules which bind to FRAT-tide (and FRAT-1) and inhibit FRAT- 1 (and related proteins) from binding to GSK3β are expected to promote Axin binding to GSK-3 β and thus promote GSK-3 β activity against certain classes of substrate. Such inhibitors may be useful for the treatment of some forms of cancer.

The binding site for the phosphorylated serine close to the active site of GSK-3 β is a target for therapeutic agents which may be useful in the treatment of type II diabetes (non insulin dependent diabetes mellitus, NIDDM) and obesity. The ATP-binding site is a target for inhibitors of GSK-3 activity against all classes of substrates, which may be useful in the treatment of type II diabetes (non insulin dependent diabetes mellitus, NIDDM) and obesity, neurodegenerative diseases, for example Alzheimer's disease and other indications such as stroke and mood disorders such as bipolar depression, unipolar depression and schizophrenia. According to the present invention, the crystal structure of human GSK-3 β liganded with the GSK-3 'ligands', FRAT-tide and sulphate, has been determined as hereinbelow described. Further refinement ofthe atomic coordinates ofthe GSK-3 β:FRAT-tide crystal structure may produce minor improvements in the crystal structure, but will not materially affect the structure. The refinement of a second crystal form GSK-3 β without FRAT-tide or sulphate shows a similar structure but with some differences in the conformations of some residues of GSK-3 β involved in binding FRAT-tide.

(A) The crystal structure of human GSK-3 :FRAT-tide complex

The crystal structure of a phosphorylated truncated form of human GSK3β (SEQ ID NO:4) complexed with a 39mer peptide, FRAT-tide (SEQ ID NO:3), has been determined at 2.6 A resolution. Figure 2 shows the general three dimensional crystal structure for the GSK-3 :FRAT-tide complex. A crystal structure ofthe phosphorylated truncated form of human GSK-3β in the absence of bound FRAT-tide at 2.9 A resolution is also determined.

Table 1 discloses the crystal structure to 2.6 A ofthe GSK-3 β:FRAT-tide complex (space-group R32, a=153.05 A, b=153.05 A, c=213.35 A, of α=90, β=90 andγ=120). This crystal structure contains two complexes in the asymmetric unit. The coordinates contain residues 35-385 of GSK-3β complexed with residues 9-35 of FRAT-tide (labelled in Table 1 as A509-A535) for the first complex (CHAINID A) and residues 28-383 of GSK-3 β complexed with residues 10-35 of FRAT-tide (B510-B535 in Table 1) for the second complex (CHAINID B). The structure was solved by molecular replacement and the refined structure (shown in Table 1) contains some 759 amino acids, 3 sulphate ions and 28 waters; the structure has good geometry (as judged by the program PROCHECK - Laskowski et al., 1993, J.Appl. Cryst., 26, 283-291).

The data is reported in Protem Data Bank (PDB) format, illustrating the atom, i.e., nitrogen, oxygen, carbon (at α, β, γ etc. position in the residue); the amino acid residue in which the atom is located with amino acid number, and the coordinates X, Y and Z in Angstroms (A) within the crystal lattice. Also illustrated is the occupancy ofthe atom (1.0 for all atoms). The data also report the B or Temperature Factor, which indicates the degree of thermal motion ofthe atom in volume measurements (A²). Each GSK-3 β molecule contains a bound sulphate ion, which is thought to represent the binding site for phosphorylated serine or threonine residues close to the active site ofthe kinase.

Table 5 provides the completely refined crystal structure for the human GSK- 3:FRAT-tide complex. (B) GSK-3. -ATP ligand binding pocket three-dimensional structure

The coordinates of several related serine/threonine kinases were superposed on the coordinates of GSK-3β. Superpositions were performed in the program O (Jones et al., (1991) Acta Cryst, A47, 110-119) using lsq_expl, lsq_imp and lsqjnol options to calculate and apply transformations based on superpositions of only Cα atoms. The coordinates ofthe C-terminal lobe of GSK-3β (defined as residues A135-A383 in the R32 crystal structure with FRAT-tide peptide of Table 1) were edited into a separate pdb file and the coordinates ofthe following kinases were then superposed: cAMP dependent kinase (PDB code 1ATP, r.m.s. fit=1.497A for 158 atoms), Cdk2 - in five different crystal forms (PDB code 1BUH, r.m.s. fit=1.226A for 175 atoms, PDB code 1B38, r.m.s. fit=1.198A for 173 atoms, PDB code 1JST, r.m.s. fit=1.208A for 185 atoms, PDB code 1FIN, r.m.s. fιt=1.178A for 182 atoms, PDB code 1QMZ, r.m.s. fit=1.173A for 188 atoms), ERK2 - in two crystal forms (PDB code 1ERK, r.m.s. fit=1.363A for 188 atoms, PDB code 2ERK, r.m.s. fit=1.305A for 194 atoms). The transformation matrices for the kinases were calculated using only Calpha atoms in the C-terminal lobe because small shifts in the relative orientations ofthe N and C- terminal lobes can occur in protein kmases; the transformation matrices were then applied to the entire crystal structure to superpose it on molecule A of GSK-3 β.

From these superposed coordinates it was possible to identify (manually on the graphics) residues adjacent to the ATP binding pocket.

(C) GSK3: sulphate binding pocket three-dimensional structure

The crystals of GSK-3 β:FRAT-tide were grown in the presence of approximately 1.6M ammonium sulphate. The coordinates for the complex (Table 1) contain three sulphate ions. One of these sulphates (residue S 601) mediates a crystal contact, but the two remaining sulphate ions (S 1 and SI 001) are bound in equivalent positions in each ofthe two GSK-3 β molecules in the asymmetric unit. The sulphate ions are coordinated by the side-chain functions of residues Arg 96, Arg 180, Lys 205 and the main-chain amide function of Val 214. Brown et al. ( Nature Cell Biology (1999) 1, 438-443) have solved a crystal structure of a complex containing phosphorylated cyclin-dependent kinase 2 (Cdk2), cyclin A and an optimal substrate peptide (HHASPRK). The superposed coordinates of this complex (PDB code 1QMZ - superposition described hereinabove) on GSK-3 β, showed that the phosphate of phosphothreonine 160 (from Cdk2) occupied a very similar position to the sulphate ion observed in the crystal structure of GSK-3 β:FRAT-tide. Furthermore, the substrate peptide, HHASPRK, which has its serine residue adjacent to the ATP anologue in the ATP-binding pocket of Cdk2, had its final lysine residue interacting with the phosphate on threonine 160 of he Cdk2 activation loop. Using the coordinates ofthe HHASPRK peptide superposed into GSK3β, it was possible to mutate residues to the sequence ofthe glycogen synthase substrate RHSSPHQS (derived from glycogen synthase, where the residue S is the residue which will be phosphorylated by GSK-3 and the final S, is already phosphorylated), with the final serine residue built in so that its side-chain hydroxyl function was superposed on an oxygen ofthe sulphate - so that it could be replaced by a phosphoserine.

Therefore in one aspect, the present invention provides new kinase compositions, particularly GSK-3 β, characterized by one or more ofthe ligand binding sites selected from the group consisting of:

1) a three dimensional ATP binding site defined by the spatial arrangement ofthe amino acids He 62, Gly 63, Asn 64, Gly 65, Ser 66, Phe 67, Gly 68, Nal 70, Gin 72, Ala 83, Lys 85, Asn 95, Glu 97, Nal 110, Leu 130, Leu 132, Asp 133, Tyr 134, Nal 135, Pro 136, Glu 137, Thr 138, Tyr 140, Arg 141, Asp 181, Lys 183, Gin 185, Asn 186, Leu 188, Cys 199, Asp 200 and Ser 219 of SEQ ID ΝO:2;

2) a three dimensional sulphate (or phosphoserine) binding pocket defined by the spatial arrangement ofthe amino acids Arg 96, Arg 180, Lys 205 and Nal 214 of SEQ ID ΝO:2; and

3) a three dimensional FRAT-tide binding site on GSK-3 defined by the spatial arrangement ofthe amino acids He 228, Phe 229, Nal 263, Leu 266, Nal 267, He 270, Lys 271, He 281, Tyr 288, Thr 289, Glu 290, Phe 291, Lys 292, Pro 294, Gin 295, He 296 of SEQ ID ΝO:2.

In another aspect the present invention provides new FRAT-tide compositions characterized by the GSK-3 binding site that is:

4) a three dimensional GSK-3 binding site defined by the spatial arrangement ofthe amino acids Leu 516, Nal 520, Gly 523, Leu 525, He 526, Lys 527, Ala 529, Nal 530, Arg 532 and Leu 533 on the FRAT-tide peptide of SEQ ID ΝO:3 (note the residue nomenclanture used in Tables 1 and 5 is such that residue numbers 188-226 in FRAT-1, SEQ ID NO:3 correspond to residues 501-539 in the coordinate residue numbering scheme).

It is understood that any amino acids in the polypeptide of SEQ ID NO:2 or SEQ ID NO:3 that do not define the ligand binding sites defined above under (1) - (4) may be different to those shown in the amino acid sequence of SEQ ID NO:2 provided that these differences do not alter the relative spatial relationship ofthe amino acids that define the ligand binding sites (1) - (3), or the GSK-3 binding site (4), such that the binding properties of that binding site are altered.

The term "structural coordinates" or "atomic coordinates" refers to mathematical coordinates derived from mathematical equations related to the patterns obtained on diffraction of a monochromatic beam of X-rays by the atoms (scattering centers) of a GSK- 3β molecule in crystal form. The diffraction data are used to calculate an electron density map ofthe repeating unit ofthe crystal. The electron density maps are used to establish the positions ofthe individual atoms within the unit cell ofthe crystal. However, it is recognized that a set of structure coordinates is not without standard error. It will also be recognized that the coordinates set forth herein represent a relative set of positions that define a shape in three dimensions. The skilled person recognizes that it is possible that an entirely different set of coordinates having a different origin and/or axes could define an identical or similar shape. Furthermore, it is recognised that the structure coordinates set forth herein may be modified from this original set by mathematical manipulation. Such manipulations include crystallographic permutations ofthe raw structure coordinates, fractionalization ofthe raw structure coordinates, integer additions or subtractions to sets of the raw structure coordinates, and any combination ofthe above.

In a preferred embodiment the kinase is GSK-3, more preferably GSK-3 β and most preferably the GSK-3β polypeptide having the amino acid sequence of SEQ ID NO:2.

Another aspect of this invention involves methods for identifying inhibitors and/or activators of kinases, preferably GSK-3, characterized by the crystal structure and novel ligand binding sites described herein, and to the use of inhibitors and/or activators so identified. The crystal structure ofthe invention permits the identification of inhibitors and/or activators of kinase activity, preferably GSK-3 activity. Such inhibitors or activators may bind to all or a portion of a ligand binding site ofthe kinase. Once identified and screened for biological activity, these inhibitors or activators may be used therapeutically or prophylactically to block kinase activity. For example the inhibitors may be used to block GSK-3 β activity in the treatment of type II diabetes (non-insulin dependent diabetes mellitus, NIDDM),obesity; neurodegenerative disease, for example Alzheimer's disease, and other indications such as stroke, mood disorders such as bipolar depression, unipolar depression and schizophrenia. Inhibitors which bound to FRATtide and inhibited FRAT-1 (and related proteins) from binding to GSK-3 β have the potential to promote GSK-3 β activity against certain classes of substrates. Such inhibitors may be used to promote GSK- 3βactivity in the treatment of certain forms of cancer.

One design approach is to probe the GSK-3 β crystal ofthe invention with molecules composed of a variety of different chemical entities to determine optimal sites for interaction between candidate GSK-3 β inhibitors or activators and the GSK-3 β molecule.. For example, high resolution X-ray diffraction data collected from crystals soaked in or co- crystallized with other molecules allows the determination of where each type of solvent molecule sticks. Molecules that bind tightly to those sites can then be further modified and synthesized and tested for their GSK-3 inhibitor activity (J. Travis, (1993) Science, 262:1374).

Another approach made possible by this invention, is to screen computationally small molecule data bases for chemical entities or compounds that can bind in whole, or in part, to the GSK-3 β, or to FRAT-tide. In this screening, the quality of fit of such entities or compounds to the binding site may be judged either by shape complementarity or by estimated interaction energy (Meng, EC et al, (1992) J.Comp.Chem., 13:505-524).

Because GSK-3 β may crystallize in more than one crystal form, the structure coordinates of GSK-3, or portions thereof, as provided by this invention are particularly useful to solve the structure of other crystal forms of GSK-3. They may also be used to solve the structure of GSK-3 mutants, GSK-3 co-complexes other than the GSK3β:FRAT- tide complex disclosed herein, or ofthe crystalline form of any other protein, particularly kinases, with significant amino acid sequence homology to any functional domain of GSK- 3.

One method that may be employed for this purpose is molecular replacement. In this method, the unknown crystal structure, whether it is another crystal form of GSK-3, a GSK-3 mutant, or a GSK-3 -.ligand co-complex, or the crystal of some other protein with significant amino acid sequence homology to any functional domain of GSK-3, may be determined using the GSK3 structure coordinates of this invention as provided in Table 1 or Table 5. This method will provide an accurate structural form for the unknown crystal more quickly and efficiently than attempting to determine such information ab initio.

Thus, the GSK-3β structure and that ofthe GSK-3 β:FRAT-tide complex provided herein permits the screening of known molecules and/or the designing of new molecules which bind to a GSK-3 structure (or FRAT-tide), particularly at one ofthe ligand binding sites, via the use of computerized evaluation systems. For example, computer modelling systems are available in which the sequence ofthe GSK-3 β, and/or the GSK-3 β structure (i.e. atomic coordinates of GSK-3 β as provided by Table 1 or Table 5), or parts thereof, may be input.

More particularly, the design of compounds that bind to and activate or inhibit GSK-3 β according to this invention generally involves consideration of two factors. First, the compound must be capable of physically and structurally associating with the GSK-3 β and, particularly, with one ofthe ligand binding sites thereof. Non-covalent molecular interactions important in the association of GSK-3 β with its ligands, including FRAT-tide, include hydrogen bonding, van der Waals and hydrophobic interactions.

Second, the compound must be able to assume a conformation that allows it to associate with GSK-3β. Although certain portions ofthe compound will not directly participate in this association with GSK-3 β, those portions may still influence the overall conformation ofthe molecule. This, in turn, may have a significant impact on potency. Such conformational requirements include the overall three-dimensional structure and orientation ofthe chemical entity or compound in relation to all or a portion ofthe binding site, e.g., active site or accessory binding site of GSK-3 β, or the spacing between functional groups of a compound comprising several chemical entities that directly interact with GSK- 3. These considerations are well known to those skilled in the art.

The potential inhibitory or binding effect of a chemical compound on GSK-3 β may be analyzed prior to its actual synthesis and testing by the use of computer modelling techniques. Ifthe theoretical structure ofthe given compound suggests insufficient interaction and association between it and GSK-3 β, synthesis and testing ofthe compound is obviated. However, if computer modeling indicates a strong mteraction, the molecule may then be synthesized and tested for its ability to bind to GSK-3 β and inhibit its activation using a suitable assay. In this manner, synthesis of inoperative compounds may be avoided.

An inhibitory or other binding compound of GSK-3 β may be computationally evaluated and designed by means of a series of steps in which chemical entities or fragments are screened and selected for their ability to associate with the individual ligand binding pockets or other areas of GSK-3 β.

One skilled in the art may use one of several methods to screen chemical entities or fragments for their ability to associate with GSK-3 β and more particularly with the individual ligand binding pockets ofthe GSK-3 β. This process may begin by visual inspection of, for example, the active site on the computer screen based on the GSK- 3βcoordinates in Table 1 or Table 5. Selected fragments or chemical entities may then be positioned in a variety of orientations, or docked, within a binding pocket of GSK-3β. Docking may be accomplished using software such as Quanta and Sybyl, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER.

Specialized computer programs may also assist in the process of selecting fragments or chemical entities. These include the GRID program available from Oxford University, Oxford, UK. (Goodford, PJ (1985) J.Med.Chem. 28:849-857; the MCSS program available from Molecular Simulations, Burlington, MA (Miranker, M and Karplus, M (1991) Proteins: Structure, Function and Genetics, 11:29-34); the AUTODOCK program available from Scripps Research Institute, La Jolla, CA (Goodsell, DS and Olsen, AJ (1990) Proteins: Structure, Function, and Genetics, 8:195-202); and the DOCK program available from University of California, San Francisco, CA (Kuntz, ID et al, (1982) J.Mol.Biol. 161:269- 288). Additional commercially available computer databases for small molecular compounds include Cambridge Structural Database, Fine Chemical Database, and CONCORD database (for a review see Rusinko, A (1993) Chem. Des. Auto. News, 8:44- 47).

Once suitable chemical entities or fragments have been selected, they can be assembled into a single compound or inhibitor. Assembly may proceed by visual inspection ofthe relationship ofthe fragments to each other on the three-dimensional image displayed on a computer screen in relation to the structure coordinates of GSK-3. This would be followed by manual model building using software such as Quanta or Sybyl.

Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include the CANEAT program (Bartlett, PA et al, (1989) in "Molecular Recognition in Chemical and Biological Problems", Special Pub., Royal Chem. Soc. 78, pp. 182-196, which is available from the University of California, Berkeley, CA; 3D Database systems such as MACCS-3D database (MDL Information Systems, San Leandro, CA) (for example Martin, YC (1992) J.Med.Chem. 35:2145-2154); and the HOOK program, available from Molecular Simulations, Burlington, MA.

Instead of proceeding to build a GSK-3 β inhibitor in a step-wise fashion one fragment or chemical entity at a time as described above, inhibitory or other GSK3-related proteins binding compounds may be designed as a whole or "de novo" using either an empty ligand binding site or optionally including some portion(s) of a known ligand(s). Suitable methods describing such methods include the LUDI program (Bohm, H-J (1992) J.Comp.Aid.Molec.Design, 6:61-78), available from Biosym Technologies, San Diego, CA; the LEGEND program (Nishibata, Y and Itai, A (1991) Tetrahedron, 47:8985), available from Molecular Simulations, Burlington, MA; and the LeapFrog program, available from Tripos Associates, St. Louis, MO.

Other molecular modelling techniques may also be employed in accordance with this invention. See, for example Cohen et al, (1990) J.Med.Chem. 33:883-894). See also, Navia, MA and Murcko, MA (1992) Current Opinions in Structural Biology, 2:202-210). For example, where the structures of test compounds are known, a model ofthe test compound may be superimposed over the model ofthe structure ofthe invention. Numerous methods and techniques are known in the art for performing this step, any of which may be used. See, for example Farmer, PS (1980) Drug Design, Ariens, EJ. ed., Vol. 10, pp 119-143 (Academic Press, New York, 1980); U.S. Patent No. 5,331,573; U.S. Patent No. 5,500,807; Nerlinde, C (1994) Structure, 2:577-587; and Kuntz, ID (1992) Science, 257:1078- 1082). The model building techniques and computer evaluation systems described herein are not a limitation on the present invention.

Thus, using these computer evaluation systems, a large number of compounds may be quickly and easily examined and expensive and lengthy biochemical testing avoided. Moreover, the need for actual synthesis of many compounds is effectively eliminated.

Once identified by the modelling techniques, the GSK-3 β inhibitor or activator may be tested for bioactivity using standard techniques or by the fluorescent binding assay for FRAT-tide antagonists described hereinabove, or other assays previously described (Coghlan et al., (2000) Chemistry and Biology, 7, 793-803). Other assay formats may be used; these assay formats are not a limitation on the present invention.

In another aspect, the GSK-3 β ligand binding structure ofthe invention permits the design and identification of synthetic compounds and/or other molecules which have a shape complementary to the conformation ofthe ligand binding site ofthe invention. Using known computer systems, the coordinates ofthe GSK-3 ligand binding structure ofthe invention may be provided in machine readable form, the test compounds designed and/or screened and their conformations superimposed on the structure ofthe GSK-3 ligand binding site ofthe invention. Subsequently, suitable candidates identified as above may be screened for the desired ligand binding inhibitory bioactivity, stability, and the like.

The methods hereinabove described for designing and identifying molecules that bind to and inhibit GSK-3 can also be used to design and identify compounds that bind to and inhibit FRAT-tide (and FRAT-1 and related molecules).

Thus the invention provides a method for identifying inhibitors of kinase compositions which methods involve the steps of: i) providing the coordinates of a GSK-3 β kinase structure ofthe invention to a computerized modeling system; ii) identifying compounds which will bind to this structure; and iii) screening the compounds or analogs identified, or derived therefrom, for kinase inhibitory activity.

Preferably the kinase structure is a ligand binding site selected from the group consisting of:

3) a three dimensional FRAT-tide binding site on GSK-3 β defined by the spatial arrangement ofthe amino acids He 228, Phe 229, Nal 263, Leu 266, Nal 267, He 270, Lys 271, He 281, Tyr 288, Thr 289, Glu 290, Phe 291, Lys 292, Pro 294, Gin 295, He 296 of SEQ ID ΝO:2.

Preferably the kinase structure is derived from GSK-3, more preferably GSK-3 β and most preferably the GSK-3 β polypeptide having the amino acid sequence of SEQ ID NO:2.

Such compound screening may preferably be carried out using a fluorescent binding assay for the kinase:ligand binding interaction. Preferably, in such a screen, the kinase is GSK-3 and the ligand is ATP, sulphate (or phosphoserine) or FRAT-tide. Most preferably the ligand is FRAT-tide.

In an alternative embodiment the invention provides a method for identifying inhibitors of a FRAT-tide ligand polypeptide which method involves the steps of: i) providing the coordinates ofthe FRAT-tide structure ofthe invention to a computerized modeling system; ii) identifying compounds which will bind to this structure; and iii) screening the compounds, or analogs derived therefrom, for FRAT-tide inhibitory bioactivity or screening the compounds in the fluorescent binding assay for FRAT-tide described hereinbelow. Preferably the FRAT-tide structure is a three-dimensional GSK-3 binding site on FRAT-tide defined by the spatial arrangement ofthe amino acids Leu 516, Val 520, Gly 523, Leu 525, He 526, Lys 527, Ala 529, Nal 530, Arg 532 and Leu 533 on the FRAT-tide peptide of SEQ ID ΝO:3.

In one embodiment of this aspect, the inhibitor binds to the interface ofthe FRAT- tide polypeptide and a GSK-3 molecule, or fragment thereof, ofthe invention. Such FRAT- tide inhibitory molecules can prevent the binding of FRAT-tide to GSK-3 thereby preventing activation ofthe GSK-3 kinase.

A further aspect of this invention includes data representing the coordinates ofthe three dimensional structure of a kinase crystal, preferably a GSK-3 β crystal, more preferably a GSK-3 β crystal ofthe invention, or of a ligand binding site selected from (1) to (3) as defined hereinabove. In another embodiment the invention includes data representing the coordinates ofthe three dimensional structure of a GSK3:FRAT-tide co-crystallised structure, as disclosed, for example, in Table 1 or Table 5. In a further embodiment the invention includes machine readable media encoded with data representing the coordinates ofthe three dimensional structure of a GSK-3 -binding site of FRAT-tide as defined hereinabove (4).

In yet another aspect, the invention provides a computer controlled method for designing a ligand capable of binding to a ligand binding site of GSK-3 β involving the steps of: i) providing a model ofthe crystal structure of a ligand binding site domain ofthe kinase, or ligand binding site carrying fragment thereof; ii) analyzing the model to design a ligand which binds to the ligand binding site domain;and iii) determining the effect ofthe ligand on the ligand binding site domain.

In a preferred embodiment the ligand binding site binds either ATP, FRAT-tide or sulphate and is selected from the group consisting of.

1) a three dimensional ATP binding site defined by the spatial arrangement ofthe amino acids He 62, Gly 63, Asn 64, Gly 65, Ser 66, Phe 67, Gly 68, Nal 70, Gin 72, Ala 83, Lys 85, Asn 95, Glu 91, Val 110, Leu 130, Leu 132, Asp 133, Tyr 134, Nal 135, Pro 136, Glu 137, Thr 138, Tyr 140, Arg 141, Asp 181, Lys 183, Gin 185, Asn 186, Leu 188, Cys 199, Asp 200 and Ser 219 of SEQ ID ΝO:2;

2) a three dimensional sulphate (or phosphoserine) binding pocket defined by the spatial arrangement ofthe amino acids Arg 96, Arg 180, Lys 205 and Nal 214 of SEQ ID ΝO:2; and 3) a three dimensional FRAT-tide binding site on GSK-3 β defined by the spatial arrangement ofthe amino acids He 228, Phe 229, Nal 263, Leu 266, Nal 267, He 270, Lys 271, He 281, Tyr 288, Thr 289, Glu 290, Phe 291, Lys 292, Pro 294, Gin 295, He 296 of SEQ ID ΝO:2.

Preferably the kinase is GSK-3, more preferably GSK-3 β, most preferably the GSK- 3β polypeptide of SEQ ID NO:2.

Preferably the ligand binding site is that for FRAT-tide as defined in (3) above.

In a still further aspect, the invention provides a computer controlled method for designing a ligand capable of binding to a GSK-3 binding site of FRAT-tide involving the steps of: i) providing a model ofthe crystal structure ofthe GSK-3 β binding site of FRAT-tide; ii) analyzing the model to design a ligand which provides the necessary GSK-3 contact atoms, and iii) determining the effect ofthe ligand on the GSK3 binding site domain.

Preferably the GSK-3 binding site of FRAT-tide is a three-dimensional GSK-3 binding site on FRAT-tide defined by the spatial arrangement ofthe amino acids Leu 516, Nal 520, Gly 523, Leu 525, He 526, Lys 527, Ala 529, Nal 530, Arg 532 and Leu 533 on the FRAT-tide peptide of SEQ ID ΝO:3 (note the residue nomenclanture used in Tables 1 and 5 is such that residue numbers 188-226 in FRAT-1, SEQ ID NO:3 correspond to residues 501- 539 in the coordinate residue numbering scheme).

As an alternative to the FRAT-tide binding site for antagonist design, the sulphate binding site, being a crucial recognition element of a larger binding site for phosphoserine or phosphothreonine containing peptides, also offers an important target for the identification of inhibitory compounds.

In another aspect, the present invention provides for an inhibitor of any kinase composition bearing any ofthe ligand binding sites as defined above. For example such inhibitors which block the activity of GSK-3 are useful in the treatment or prevention of diabetes, obesity, neurodegenerative diseases such as Alzheimer's disease and other diseases such as stroke, bipolar depression, unipolar depression and schizophrenia. For example such compounds may be used for the manufacture of a medicament for the treatment of diabetes, obesity, neurodegenerative diseases such as Alzheimer's disease and other diseases such as stroke, bipolar depression, unipolar depression and schizophrenia. Such compounds include peptides, peptidomimetic compounds, natural products or synthetic compounds. As used herein the term "natural product" includes all non-synthetic products of nature and includes, but is not limited to, derivatives, extracts or homologs thereof, having, or containing, a bioactive component.

In a still further aspect the present invention provides a binding assay for the GSK- 3 β. 'FRAT-tide binding interaction. Fluorescently labelled FRAT-tide (as demonstrated by TAMRA-FRAT-tide) will bind to GSK-3. Bound and free fluorescent FRAT-tide can be distinguished on the basis of their different fluorescent properties (including but not limited to fluorescence anisotropy, fluorescence correlation spectroscopy diffusion time, total fluorescence intensity, confocal molecular brightness, confocal molecular fluorescence anisotropy). Antagonists ofthe GSK-3 :FRAT-tide interaction will displace the fluorescent FRAT-tide leading to a change in fluorescence properties.

In another aspect ofthe present invention there is provided a computer system, intended to generate structures and/or perform rational drug design for GSK-3, particularly GSK-3 β and/or GSK-3 β:FRAT-tide binding chemical entities. Also provided is computer readable media for use in the computer system, having recorded thereon the atomic coordinates as set forth in Table 1. By a "computer system" we mean hardware means, software means and data storage means used to analyse atomic coordinate data. The minimum hardware means ofthe computer based systems ofthe present invention comprises a central processing unit, input means, output means and data storage means. The data storage means may be RAM or a machine readable data carrier ofthe invention. Machine readable carrier include magnetic storage media such as floppy discs, hard storage media 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 catagories.

The present invention also provides a method of identifying a pharmacophore that inhibits the kinase activity of GSK-β.

A "pharmacophore", as used herein, is the ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target structure and to inhibit or promote its biological response. A pharmacophore does not represent a real molecule or a real association of functional groups, but a purely abstract concept that accounts for the common molecular interaction capacities of a group of chemical entities towards their target structure. The pharmacophore can be considered as the largest common denominator shared by a set of active molecules against a particular target. Typically a pharmacophore will be described in terms of H-bonding, hydrophobic and electrostatic interaction sites, defined by atoms, ring centers and virtual points.

Use of inhibitors of GSK-3 β in the manufacture of a medicament and in methods of medical treatment are also provided.

The following examples illustrate various aspects of this invention.

Example 1: Analysis ofthe Structure ofthe GSK3B

A. Expression and Purification of a GSK3β truncated polypeptide

Full length GSK-3β (SEQ ID NO:2) was cloned and expressed as a truncated form (shown as SEQ ID NO:4; sequence corresponds to residues 27-393 ofthe full-length human GSK-3 β, with a ten residue N-terminal histidine tag to facilitate purification) in a manner similar to that described for GSK-3α (Coghlan et al. (2000) Chemistry and Biology, 7, 793- 803). The GSK-3 β truncate was expressed with an N-terminal deca-histidine tag using a baculovirus expression system. Sf9 cells were harvested 48 hours post infection and frozen at -80°C. Cells were defrosted in buffer A (lOmM MOPS pH7.0, 300mM NaCI, 10% glycerol, lOmM βMcEtOH, 50mM NaF, ImM Na orthovanadate, ImM benzamidine, ImM PMSF, lug/ml bestatin, lug/ml lepeptin, lug/ml aprotinin) and disrupted by dounce homogenisation, on ice. Cell debris was removed by centrifugation (48,000g for 60min at

4°C).

Immobilised metal ion affinity chromatography was performed using NiNTA Supreflow (QIAGEN). The supernatent was contacted with 10ml of NiNTA Supreflow for

4 hour at 4°C. NiNTA beads were recovered by centrifugation (2000g for lOmins at 4°C), packed into an XK16 column (Amersham Pharmacia), and eluted using lOBv buffer A collecting lxlOOml fraction, lOBv buffer A+1M NaCI collecting lxlOOml fraction, 20Bv buffer A+l OOmM imidazole and 20Bv buffer A+500mM imidazole collecting 40 lBv fractions at 150cm h~l using an AKTA PurifierlOO (Amersham Pharmacia). Fractions were analysed by Bradford assay (Pierce) and reducing SDS PAGE (Novex).

Cation exchange was performed using Source 15S (Amersham Pharmacia). Fractions 21-30 from the immobilised metal ion affinity chromatography, were pooled and buffer exchanged into buffer B (20mM MOPS pH 7.0, 50mM NaCI, ImM DTT, 10% glycerol, ImM ImM Na orthovanadate, ImM benzamidine, 0.2mM PMSF) using G25M (Amersham Pharmacia), and loaded onto an 8ml Source 15S column, HR10 (Amersham Pharmacia). This was washed with 5Bv of buffer B before elution using a linear NaCI gradient 0-500mM over 50Bv, 500-lOOOmM NaCI over 5Bv and 5Bv lOOOmM NaCI, collecting 5ml fractions at 150 cm ^n~l using an AKTA purifier 100. Fractions were analysed by Bradford Assay (Pierce), Reducing SDS PAGE (Novex) and electrospray LCMS (Micromass LC-T).

Analysis ofthe peak fractions from the cation exchange chromatography by electrospray Liquid Chromatography - Mass Spectroscopy (Water 2690 HPLC; Polymer Labs PLRP-S, 300A, 5microns , 150 x 2.1mm, H20:ACN gradient 15-75% over 24 mins with 0.05% TFA; Micromass LC-T) revealed a mass difference of 80Da, between two close, but resolvable peaks. The mass difference of 80Da corresponds to one phosphate group; the phosphorylated and unphosphorylated ofthe GSK-3 β truncate had been successfully separated by the cation exchange chromatography.

Example 2 - Crystallisation and Data Collection

In initial crystallisation experiments crystals were observed with the phosphorylated, but not with the unphosphorylated GSK-3 β truncate.

A - Native phosphorylated GSK3-B truncate

The purified protein (4mgs/ml), in lOmM MOPS pH 7.0, lOOmM NaCI, ImM DTT, 1% glycerol was crystallised by the hanging drop- vapour diffusion method against wells containing lOOmM Tris Acetate pH 8.2, 125mM NaCI, 6-14% PEG 8000 at 277K. Crystals were frozen by serial transfer to a solution of 20% glycerol: 80% well solution. A dataset to 2.9A was collected on a frozen crystal on beam-line ID 14-2 at the ESRF (European Synchrotron Radiation Facility). Diffraction data were somewhat anisotropic and each image was processed with MOSFLM (Leslie et al. (1986) Daresbury Laboratory Information Quarterly for Protem Crystallography, 18, pp33-39, SERC Daresbury lab) to a resolution where I/sigmal > 2.5; data were merged with SCALA (Collaborative Computing Project Number 4 (1994) Acta Cryst, D50, 760-763). This gave dataset A (space group P2 a=67.56A,b=l 15.44A,c=67.65A, b=101.98°) shown in Table 2, which was over 90% complete to 3.23 but less complete at higher resolution (between 3.23 and 2.9A). The space- group of this crystal was pseudo C222ι; data were processed in four space-groups, C222ι, C2, P2] and C2, which showed the true space-group to be P2ι.

Table 2. X-ray data collection statistics on P2ι crystal form of GSK3β.

SPACE-GROUP P2.

CELL (a,b,c) 67.56,115.44,67.65 CELL (α,β,γ) 90, 101.98, 90

RESOLUTION Rsym Completeness Redundancy

15-9.12A 4.2% 72.7% 2.0

9.17-6.45A 4.6% 93.9% 2.0

6.48-5.27A 5.6% 94.2% 2.0

5.29-4.56A 6.0% 95.1% 2.0

4.59-4.08A 6.4% 94.8% 2.0

4.10-3J3A 8.3% 92.6% 2.0

3J4-3.45A 12.1% 91.3% 1.9

3.47-3.23 A 16.8% 84.2% 1.8

3.23-3.04A 16.5% 60.5% 1.5

3.06-2.89A 20.1% 31.5% 1.3

OVERALL 6.7% 78.0% 1.9

B - Phosphorylated GSK3-B truncate with FRAT-tide

GSK3-β truncate (l-4mgs/ml) was incubated with 39mer FRAT-tide peptide (0.2-

2mgs/ml ) (purchased from California Peptide Research Inc.). Crystals were grown by the hanging drop vapour diffusion technique against wells containing between 1.4-2.2M ammonium sulphate, pH 7-8, with lOOmM Tris or Hepes buffer, at room temperautre

(298K). Crystals of selenoMet labelled protein grew at pH 7 but not at pH 8. Crystals typically grew in 4-7 days, and diffracted better if mounted immediately on appearance.

Crystals at lower concentrations of ammonium sulphate tended to diffract better and had cleaner morphologies. Crystals were frozen by rapid serial transfer into 25% ethylene glycol

(15% well). A dataset to 2.6A was collected on a frozen crystal on beam-line ID14-2 at the

ESRF (European Synchrotron Radiation Facility). The diffraction data from this crystal were processed to give the dataset shown in Table 3. Table 3. X-ray data collection statistics on R32 crystal form of GSK3B/FRATtide.

The processed dataset contained 29,716 unique reflections arising from 333,047 observations (redundancy 11.2), and was essentially 100% complete. The mean I/sigma was 13.3 and was 5.4 in the highest resolution shell.

SPACE-GROUP R32

CELL (a,b,c) 153.05, 153.05, 213.35 CELL (α,β,γ) 90, 90, 120 RESOLUTION Rsym

25.00 7.01 0.044

7.01 5.58 0.048

5.58 4.88 0.048

4.88 4.44 0.046

4.44 4.12 0.048

4.12 3.88 0.050

3.88 3.69 0.056

3.69 3.53 0.062

3.53 3.39 0.073

3.39 3.27 0.086

3.27 3.17 0.104

3.17 3.08 0.121

3.08 3.00 0.147

3.00 2.93 0.184

2.93 2.86 0.201

2.86 2.80 0.253

2.80 2.74 0.297

2.74 2.69 0.346

2.69 2.64 0.382

2.64 2.60 0.448

Overall 0.066

C. Structure solution and refinement

The P2ι crystal form ofthe GSK-3 β truncate contained two molecules in the asymmetric unit. The positions ofthe two molecules were located by molecular replacment using coordinates from an X-ray crystal structure of a related kinase ERK2 (pdb code 2ERK - Canagarajah,et al (1997) Cell, 90, 859-869). Residues 19-310 of ρdb2erk.pdb were used as a search molecule (corresponding to residues 52 to 339 of human GSK-3β - in alignment in Fig 1); the percentage sequence identity of residues 19-310 of ERK2 aligned with residues 52-339 of GSK-3β is 32% (as aligned in Fig 1).

Rotation functions calculated with Amore (Navaza (1994) Acta Cryst, A50, 157- 163), yielded clear solutions for both molecules (peak heights for solutions 19.1 sigma, and 19.0 sigma, first noise peak 13.2 sigma; calculated with a Patterson search radius of 2θA and data between 6.0-3.15 A). Translation functions calculated with Amore gave solutions just above the noise. The correlation coefficient and R-factor for the first solution from the rotation function were 30.8% (29.6%) and 50.5% (50.7%) respectively (figures in brackets height of first noise peaks - calculated with data between 8.0-2.9A). Fixing the first solution to the translation function and calculating the translation for the second molecule gave a correlation coefficient and R-factor of 34.0% (32.3%) and 50.0% (50.2%) (figures in brackets first noise peak). Rotation functions calculated with Amore for separate N and C- terminal domains of ERK2, and corresponding translation functions (crystallographic and non-crystallographic) calculated with TFFC (Tickle (1985) In Molecular Replacement (Machin, PA ed.), pp22-26, SERC Daresbury Laboratory, Warrington, UK; Collaborative Computing Project Number 4 (1994) Acta Cryst., D50, 760-763) gave a similar solution. The molecular replacement solution was consistent with the non-crystallographic twofold axis perpendicular to the crystallographic 2_., which was clearly evident in the self-rotation function (and in the diffraction pattern).

Three rounds of refinement with CNX (Brunger et al. (1998) Acta Cryst, D54. 905- 921) were then performed in space-group P2ι, with two rebuilds on the graphics using the program XTALNIEW (McRee, DE (1993) in Practical Protein Crystallography, Academic Press, San Diego). Maps were averaged round the non-crystallographic twofold with the RANE suite (Kleywegt and Jones (1994) in From first map to final model (Bailey, S et al eds)., pp 59-65, SERC Daresbury Laboratory, Warrington, UK); (separate masks were calculated for the Ν and C-terminal domains ofthe kinase with MAMA, and operators were defined from the density with IMP). This decreased the R-factor (R-free) to 35.5% (42.4%) (Table 4).

Table 4 - Refinement

After three rounds of refinement and two rebuilds in the P2j crystal form, the coordinates were transferred to the R32 crystal form by molecular replacement and seven rounds of refinement were carried out (interspersed with rebuilds). The refined coordinates from the R32 form were then transferred back to the P2ι crystal form and subject to rigid body and positional refinement (3b).

P2ι CRYSTAL FORM R32 CRYSTAL FORM a=67.56, b=l 15.44, c=67.65, β=102.0 a=153.05, b=153.05, c=213.35 R-factor/R-free (Resolution) R-factor/R-free (Resolution)

1. 46.3%, 47.1%(3.3A)

2. 44.0%, 45.0%(3.3A)

3. 35.5%, 42.4%(2.9A)

1. 41.9%, 46.7% (2.8A)

2. 38.9%, 42.7% (2.8A)

3. 35.2%, 37.9% (2.8 A) 4. 31.5%, 35.8% (2.8A)

5. 28.3%, 32.8% (2.8A)

6. 26.4%, 30.6% (2.8A)

7. 24.8%, 28.8% (2.6A) 3b. 27.4%, 31.6% (2.9A) 8. 24.4%, 28.2% (2.6 A)

The partially refined coordinates for GSK-3 β from the P2ι crystal form (after three rounds of refinement) were used to find the positions ofthe two molecules in the R32 crystal form (with FRAT-tide) by molecular replacement with Amore (Navaza (1994) Acta Cryst, A50, 157-163). After eight rounds of refinement ofthe R32 crystal form with CNX (Brunger et al. (1998) Acta Cryst, D54. 905-921) the R-factor (R-free) had decreased to 24.4%o (28.2%) on data to 2.6A resolution for a model comprising some 759 amino acids, 3 sulphate ions and 28 waters. The structure has good geometry (as judged by the program PROCHECK - Laskowski et al. (1993) J.Appl. Cryst., 26, 283-291). Coordinates in Table 1.

Further refinement ofthe R32 crystal form reduced the R-factor (R-free) to 19.5% (26.1%) and these further refined coordinates are in table 5.

Example 3 - GSK-3 β ligand binding assay for characterisation of antagonists

The biological function of GSK-3 in vivo is to phosphorylate not only glycogen synthase but other substrates such as β-catenin and Tau. The 39 amino acid residue peptide (corresponding to residues 188-226 ofthe FRAT-1 precursor polypeptide) when fused to GST (glutathione-S-transferase), has been shown to bind to GSK-3 and inhibit GSK-3 activity, in vitro, towards β-catenin and Tau, but not towards glycogen synthase (Thomas et al. 1999 supra). Thus for determination of inhibitory activity and further characterization of such compounds identified using the methods outlined hereinabove, a GSK-3 ligand- binding assay is required.

One such assay is a fluorescence binding assay for FRAT-tide antagonists. The principle ofthe assay is that a fluorescently labelled FRAT-tide (as demonstrated by TAMRA-FRAT-tide) will bind to GSK-3; bound and free fluorescent FRAT-tide can be distinguished on the basis of their different fluorescent properties (including but not limited to fluorescence anisotropy, fluorescence correlation spectroscopy diffusion time, total fluorescence intensity, confocal molecular brightness, confocal molecular fluorescence anisotropy). Antagonists ofthe GSK-3β:FRAT-tide interaction will displace the fluorescent FRAT-tide leading to a change in fluorescence properties.

One embodiment ofthe assay uses FRAT-tide labelled by TAMRA-X-SE (Molecular Probes) on the N terminal amine group (TAMRA-FRAT-tide). To determine if test compounds are antagonists ofthe GSK-3 :FRAT-tide interaction, GSK-3 (120 nM) and TAMRA-FRAT-tide (10 nM) are contacted in a buffer composed of 50 mM HEPES, ρH7.5, 1 mM CHAPS, and incubated with a series of concentrations of test compounds (plus a no compound control) in a final volume of 10 ul. The anisotropy ofthe TAMRA-FRAT-tide is measured using a commercial plate reader (e.g. LJL Acquest).

SEQUENCE INFORMATION

SEQ ID NO : l

MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGG PGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTWATLGQGPERSQEVAYTDI VIGNGSFGWYQA RLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYR VARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVR GEPlSrVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEI I VLGTPT REQIRE NPlxT-fTEFKFPQI AHP TKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRC LGTQLPrøRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDAT PTLTNSS

SEQ ID NO : 2

MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTWATPGQGPDRPQEVSYTDTKVIGNGSFG VVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVP ETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSA KQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKV LGTPTREQIRE NPNYTEFKFPQIKAHP TKVFRPRTPPEAIALCSRLLEYTPTARLTPLΞACAHSFF DELRDPlWKLPNGRDTPALFNFTTQELSSNPPl-ATILIPPHiRIQAAASTPTNATAASDANTGDRGQT NNAASASASNST

SEQ ID NO: 3

SQPETRTGDDDPHRLLQQLVLSGNLIKEAVRRLHSRRLQ

SEQ ID NO : 4

MHHHHHHHHHHK /SRDi GSKΛr'TTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVA IKKVLQDKRFKNRELQIMRK DHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQ TLPVIY /KLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGΞPNVSYICS RYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIK LGTPTREQIRE NPN YTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRD TPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTN

Brief description of the figures and Table 1 :

Figure 1

Sequence alignment of human GSK-3α (hum3a) , human GSK-3β (hum3b) , the construct of GSK-3β from which crystals were grown (BLT) and the MAP kinase ERK2. The residue numbers below the sequence are of human GSK-3β.

Figure 2

A Calpha trace of coodinates in Table 1. Note that there are two GSK-3β:FRATtide complexes in the asymmetric unit. For the FRATtide peptides the main-chain atoms are displayed.

Table 1

Table 1 provides the atomic coordinates for the amino acid residues of the GSK-3 : FRAT-tide complex after eight rounds of refinement. These coordinates are very similar to those of the completely refined structure (Table 5) .

According to standard practice hydrogen atoms coordinates are not included. From the carbon, nitrogen, oxyen and sulphur positions the expected positions of hydrogen atoms can readily be calculated.

The coordinates are displayed in table 1 in the following format (standard format familiar to one skilled in the art) .

The table has 17 columns, an example is shown below for illustration:

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1617

ATOM 5167 C ARG B 308 120.380 38.818 25.587 1.00 42.98

BBBB C

ATOM 5168 0 ARG B 308 119.452 38.257 26.162 1.00 42.98

BBBB O

123456789112345678921234567893123456789412345678951234567896123456789712

34567898

Data Content

1 Atom

2 Atom serial number

3 Atom Name e.g. CA = Calpha, ie the alpha carbon.

An amino acid always has four main-chain atoms N (amide nitrogen) , C (Carboxyl carbon) , 0 (carboxyl oxygen) and CA

(alpha carbon) + side-chain atoms.

4 Alternate location indicator (not usually used)

5 Amino acid residue name

6 Chain identifier Residue sequence number Code for insertion of residues X coordinate Y coordinate Z coordinate Occupancy Temperature Factor Footnote number (not often used) Segment identifier Element symbol, carbon =C etc. Charge on the atom (ΪUPAC form) - rarely used.

Table 1 - Coordinates ofthe complex of GSK-3 β with the 39mer peptide FRATtide.

REMARK The coord:natε .8 fc >elow are of the crystal structure of a truncated form

REMARK of human GSK3beta with a peptide known as FRATtide.

REMARK Note the asymmetric unit contains two complexes .

REMARK The first complex contains residues A36- A385 of 3SK3beta, and residues

REMARK A509- A535 of FRATtide. A sulphate ion (SI) is associated this mol A.

REMARK The second complex contains residues B28 -B383 of GSK3beta, and residues

REMARK B510- B535 of FRATtide. A sulphate ion (SlOOl) is associated with mol B.

REMARK

REMARK Note residue A21€ (and B216) is a phosphotyrosine residue.

REMARK

REMARK coordinates from group B-factor refinement

REMARK refinement resolution: 20.0 - 2 Λ ; A

REMARK final r= 0 2443 free_r= 0.281E

REMARK sg= R32 a= = 15: S.OE b= 153.05 c= 213.35 alpha= 90 beta= 90 gamma= 120

REMARK ncs= none

REMARK theoretical total . number of refl in resol . range : 29683 100.0 % )

REMARK number of unobserved reflections (no entry or | F |=0) : 7 0.0 % )

REMARK number of reflections rejected: 0 0.0 % )

REMARK total number of reflections used 29676 100.0 % )

REMARK number of reflections in working set: 28191 95.0 % )

REMARK number of reflections in test set : 1485 5.0 % )

ATOM 1 CB ALA A 36 99.883 18.316 -31.751 1.00 52.79 AAAA C

ATOM 2 C ALA A 36 99.299 20.324 -30.383 1.00 81.42 AAAA C

ATOM 3 0 ALA A 36 99.664 20.834 -29.319 1.00 81.42 AAAA 0

ATOM 4 N ALA A 36 101.686 19.700 -30.775 1.00 81.42 AAAA N

ATOM 5 CA ALA A 36 100.311 19.730 -31.363 1.00 81.42 AAAA C

ATOM 6 N VAL A 37 98.027 20.269 -30.758 1.00 66.14 AAAA N

ATOM 7 CA VAL A 37 96.969 20.774 -29.898 1.00 66.14 AAAA C

ATOM 8 CB VAL A 37 95.872 21.487 -30.711 1.00 57.80 AAAA C

ATOM 9 CGI VAL A 37 94.631 21.702 -29.850 1.00 57.80 AAAA C

ATOM 10 CG2 VAL A 37 96.398 22.818 -31.207 1.00 57.80 AAAA C

ATOM 11 C VAL A 37 96.361 19.588 -29.161 1.00 66.14 AAAA C

ATOM 12 0 VAL A 37 96.080 18.550 -29.761 1.00 66.14 AAAA 0

ATOM 13 N THR A 38 96.183 19.731 -27.855 1.00 64.45 AAAA N

ATOM 14 CA THR A 38 95.602 18.660 -27.065 1.00 64.45 AAAA C

ATOM 15 CB THR A 38 96.490 18.308 -25.870 1.00 73.85 AAAA C

ATOM 16 OGl THR A 38 97.828 18.075 -26.332 1.00 73.85 AAAA 0

ATOM 17 CG2 THR A 38 95.965 17.053 -25.170 1.00 73.85 AAAA C ATOM 18 C THR A 38 94.249 19.101 -26.555 1.00 64.45 AAAA C

ATOM 19 O THR A 38 94.119 20.172 -25.964 1.00 64.45 AAAA O

ATOM 20 N THR A 39 93.236 18.286 -26.810 1.00 68.93 AAAA N

ATOM 21 CA THR A 39 91.898 18.605 -26.351 1.00 68.93 AAAA C

ATOM 22 CB THR A 39 90.913 18.746 -27.518 1.00 58.66 AAAA C

ATOM 23 OG1 THR A 39 91.425 19.710 -28.448 1.00 58.66 AAAA O

ATOM 24 CG2 THR A 39 89.552 19.213 -27.009 1.00 58.66 AAAA C

ATOM 25 C THR A 39 91.450 17.483 -25.443 1.00 68.93 AAAA C

ATOM 26 O THR A 39 91.613 16.310 -25.761 1.00 68.93 AAAA O

ATOM 27 N VAL A 40 90.909 17.858 -24.294 1.00 54.30 AAAA N

ATOM 28 CA VAL A 40 90.445 16.893 -23.318 1.00 54.30 AAAA C

ATOM 29 CB VAL A 40 91.477 16.734 -22.171 1.00 61.56 AAAA C

ATOM 30 CGI VAL A 40 92.788 16.198 -22.726 1.00 61.56 AAAA C

ATOM 31 CG2 VAL A 40 91.703 18.075 -21.468 1.00 61.56 AAAA C

ATOM 32 C VAL A 40 89.116 17.349 -22.731 1.00 54.30 AAAA C

ATOM 33 O VAL A 40 88.718 18.508 -22.888 1.00 54.30 AAAA O

ATOM 34 N VAL A 41 88.421 16.429 -22.076 1.00 49.21 AAAA N

ATOM 35 CA VAL A 41 87.152 16.764 -21.444 1.00 49.21 AAAA C

ATOM 36 CB VAL A 41 86.117 15.610 -21.569 1.00 62.63 AAAA C

ATOM 37 CGI VAL A 41 84.832 15.970 -20.828 1.00 62.63 AAAA C

ATOM 38 CG2 VAL A 41 85.823 15.339 -23.041 1.00 62.63 AAAA C

ATOM 39 C VAL A 41 87.558 16.956 -20.000 1.00 49.21 AAAA C

ATOM 40 O VAL A 41 87.910 16.004 -19.316 1.00 49.21 AAAA O

ATOM 41 N ALA A 42 87.542 18.202 -19.553 1.00 51.99 AAAA N

ATOM 42 CA ALA A 42 87.961 18.509 -18.202 1.00 51.99 AAAA C

ATOM 43 CB ALA A 42 89.131 19.489 -18.244 1.00 49.99 AAAA C

ATOM 44 C ALA A 42 86.849 19.059 -17.329 1.00 51.99 AAAA C

ATOM 45 O ALA A 42 85.858 19.610 -17.808 1.00 51.99 AAAA O

ATOM 46 N THR A 43 87.050 18.890 -16.030 1.00 50.70 AAAA N

ATOM 47 CA THR A 43 86.128 19.347 -15.012 1.00 50.70 AAAA C

ATOM 48 CB THR A 43 85.877 18.230 -13.981 1.00 46.61 AAAA C

ATOM 49 OG1 THR A 43 85.260 17.109 -14.629 1.00 46.61 AAAA O

ATOM 50 CG2 THR A 43 84.993 18.733 -12.854 1.00 46.61 AAAA C

ATOM 51 C THR A 43 86.773 20.544 -14.308 1.00 50.70 AAAA C

ATOM 52 O THR A 43 87.916 20.479 -13.854 1.00 50.70 AAAA O

ATOM 53 N PRO A 44 86.058 21.666 -14.230 1.00 69.53 AAAA N

ATOM 54 CD PRO A 44 84.632 21.907 -14.493 1.00 46.31 AAAA C

ATOM 55 CA PRO A 44 86.672 22.809 -13.551 1.00 69.53 AAAA C

ATOM 56 CB PRO A 44 85.581 23.876 -13.633 1.00 46.31 AAAA C

ATOM 57 CG PRO A 44 84.332 23.063 -13.566 1.00 46.31 AAAA C

ATOM 58 C PRO A 44 86.966 22.371 -12.117 1.00 69.53 AAAA C

ATOM 59 O PRO A 44 86.283 21.490 -11.599 1.00 69.53 AAAA O ATOM 60 N GLY A 45 87.,977 22.,958 -11.483 1.00 66.43 AAAA N

ATOM 61 CA GLY A 45 88. 305 22. 573 -10. 118 1. 00 66 . 43 AAAA C

ATOM 62 C GLY A 45 87. ,552 23. ,339 -9. ,039 1. ,00 66. ,43 AAAA C

ATOM 63 O GLY A 45 86, ,861 22, ,752 -8. ,198 1. .00 66, ,43 AAAA O

ATOM 64 N ALA A 46 87. ,696 24. ,659 -9. ,076 1. ,00 88. ,19 AAAA N

ATOM 65 CA ALA A 46 87, ,060 25, .551 -8. ,119 1. ,00 88, ,19 AAAA C

ATOM 66 CB ALA A 46 87, .892 26. ,858 -7. ,980 1. ,00 56. .10 AAAA C

ATOM 67 C ALA A 46 85. 621 25. ,888 -8. 522 1. 00 88. 19 AAAA C

ATOM 68 O ALA A 46 85. ,127 26. ,965 -8. ,193 1. ,00 88. ,19 AAAA O

ATOM 69 N GLY A 47 84, ,941 24, ,985 -9. .225 1, ,00 84, ,84 AAAA N

ATOM 70 CA GLY A 47 83, ,578 25. .294 -9, ,636 1. ,00 84. ,84 AAAA C

ATOM 71 C GLY A 47 82, .548 24, ,175 -9, .603 1. ,00 84. ,84 AAAA C

ATOM 72 O GLY A 47 82. ,780 23. .133 -8. ,987 1, ,00 84. .84 AAAA O

ATOM 73 N PRO A 48 81. ,374 24. ,394 -10. ,225 1. .00 86. ,69 AAAA N

ATOM 74 CD PRO A 48 80. ,928 25. .790 -10. ,415 1, ,00 63, .08 AAAA C

ATOM 75 CA PRO A 48 80. ,229 23. .473 -10. .338 1, .00 86. .69 AAAA C

ATOM 76 CB PRO A 48 79, ,068 24. .423 -10. ,675 1. ,00 63, .08 AAAA C

ATOM 77 CG PRO A 48 79. .485 25, .723 -9. .976 1, ,00 63. .08 AAAA C

ATOM 78 C PRO A 48 80. ,402 22. .359 -11, ,397 1. ,00 86. .69 AAAA C

ATOM 79 O PRO A 48 80. .303 22, .612 -12, .595 1, ,00 86, . 69 AAAA O

ATOM 80 N ASP A 49 80. .670 21, .143 -10, .930 1, .00 80, .72 AAAA N

ATOM 81 CA ASP A 49 80. .838 19, .974 -11, .783 1, ,00 80, .72 AAAA C

ATOM 82 CB ASP A 49 80. .230 18, .779 -11, .083 1. ,00 95, .84 AAAA C

ATOM 83 CG ASP A 49 81, .146 18, .173 -10, .092 1. .00 95, .84 AAAA C

ATOM 84 ODl ASP A 49 81. .663 18, .928 -9, ,234 1, ,00 95. .84 AAAA O

ATOM 85 OD2 ASP A 49 81. .343 16, .936 -10, .185 1. .00 95, .84 AAAA O

ATOM 86 C ASP A 49 80. .229 20 .011 -13, .189 1, .00 80, .72 AAAA C

ATOM 87 O ASP A 49 79, .202 19 .372 -13 .419 1, .00 80 .72 AAAA O

ATOM 88 N ALA A 50 80 .823 20 .726 -14 .132 1, .00 66 .60 AAAA N

ATOM 89 CA ALA A 50 80 .245 20 .756 -15 .473 1 .00 66 .60 AAAA C

ATOM 90 CB ALA A 50 79, .512 22 .092 -15, .714 1. .00 54, .32 AAAA C

ATOM 91 C ALA A 50 81 .344 20 .545 -16 .515 1, .00 66 .60 AAAA C

ATOM 92 O ALA A 50 82, .086 21 .461 -16, .832 1, .00 66 . .60 AAAA O

ATOM 93 N PRO A 51 81 .475 19 .312 -17, .038 1, .00 76 .78 AAAA N

ATOM 94 CD PRO A 51 80 .753 18 .109 -16 .582 1 .00 59 .22 AAAA C

ATOM 95 CA PRO A 51 82 .477 18 .954 -18 .050 1 .00 76 .78 AAAA C

ATOM 96 CB PRO A 51 81 .996 17 .594 -18 .521 1 .00 59 .22 AAAA C

ATOM 97 CG PRO A 51 81 .554 17 .003 -17 .208 1 .00 59 .22 AAAA C

ATOM 98 C PRO A 51 82 .545 19 .975 -19 .170 1, .00 76 .78 AAAA C

ATOM 99 O PRO A 51 81 .571 20 .670 -19 .458 1 .00 76 .78 AAAA O

ATOM 100 N GLN A 52 83 .732 20 .082 -19 .748 1 .00 83 .68 AAAA N

ATOM 101 CA GLN A 52 84 .005 20 .978 -20 .852 1 .00 83 .68 AAAA C ATOM 102 CB GLN A 52 84..568 22,.333 -20..397 1.,00 82.,08 AAAA C

ATOM 103 CG GLN A 52 83, ,917 23, .040 -19, .247 1. ,00 82. ,08 AAAA C

ATOM 104 CD GLN A 52 84. 601 24. ,373 -19. ,018 1. 00 82. 08 AAAA C

ATOM 105 OE1 GLN A 52 85, .735 24. .571 -19, .460 1. ,00 82. ,08 AAAA O

ATOM 106 NE2 GLN A 52 83, ,931 25, ,289 -18, .325 1. ,00 82. ,08 AAAA N

ATOM 107 C GLN A 52 85. ,130 20. ,291 -21, .608 1. 00 83. ,68 AAAA C

ATOM 108 O GLN A 52 85, .719 19, .305 -21, .137 1, ,00 83. .68 AAAA O

ATOM 109 N ALA A 53 85. ,419 20, ,821 -22. .785 1. ,00 63. ,55 AAAA N

ATOM 110 CA ALA A 53 86. .524 20. .338 -23, .577 1. ,00 63. .55 AAAA C

ATOM 111 CB ALA A 53 86, .169 20, .381 -25, .062 1. ,00 51. .94 AAAA C

ATOM 112 C ALA A 53 87. .529 21. .428 -23, .208 1, ,00 63. .55 AAAA C

ATOM 113 O ALA A 53 87, ,138 22, .552 -22. .901 1. ,00 63. ,55 AAAA O

ATOM 114 N VAL A 54 88. ,809 21. ,104 -23. .180 1. ,00 53. ,48 AAAA N

ATOM 115 CA VAL A 54 89, .793 22, .110 -22, .840 1. .00 53. .48 AAAA C

ATOM 116 CB VAL A 54 90. ,263 21, .973 -21, .368 1, .00 55. .48 AAAA C

ATOM 117 CGI VAL A 54 91, ,515 22, .809 -21. .135 1. ,00 55, .48 AAAA C

ATOM 118 CG2 VAL A 54 89, ,163 22. .418 -20, .417 1. .00 55. .48 AAAA C

ATOM 119 C VAL A 54 90. ,923 21. .795 -23. .781 1. .00 53, .48 AAAA C

ATOM 120 0 VAL A 54 91, .346 20, .644 -23, .890 1. ,00 53. .48 AAAA O

ATOM 121 N SER A 55 91, .386 22. .802 -24, .497 1, ,00 62, .46 AAAA N

ATOM 122 CA SER A 55 92, .462 22, .576 -25, .433 1, .00 62, .46 AAAA C

ATOM 123 CB SER A 55 92, ,032 23. .005 -26, .832 1. .00 60. .86 AAAA C

ATOM 124 OG SER A 55 90. .889 22, .273 -27, .238 1, .00 60. .86 AAAA O

ATOM 125 C SER A 55 93. .718 23, .320 -25, .024 1. .00 62, .46 AAAA C

ATOM 126 O SER A 55 93, .675 24, .469 -24, .581 1. .00 62, .46 AAAA O

ATOM 127 N TYR A 56 94. .852 22. .653 -25, ,145 1. .00 55. .70 AAAA N

ATOM 128 CA TYR A 56 96, .098 23, .316 -24 .794 1, .00 55, .70 AAAA C

ATOM 129 CB TYR A 56 96. .573 22, .895 -23 .398 1. .00 59, .33 AAAA C

ATOM 130 CG TYR A 56 96. .675 21 .404 -23 .135 1, .00 59 .33 AAAA C

ATOM 131 CD1 TYR A 56 95, .588 20, .703 -22 .612 1, .00 59, .33 AAAA C

ATOM 132 CE1 TYR A 56 95. .692 19, .357 -22 .268 1, .00 59 .33 AAAA C

ATOM 133 CD2 TYR A 56 97, .882 20 .711 -23 .326 1, .00 59 .33 AAAA C

ATOM 134 CE2 TYR A 56 97, .994 19. .354 -22, .985 1, .00 59. .33 AAAA C

ATOM 135 CZ TYR A 56 96 .896 18 .690 -22 .454 1, .00 59 .33 AAAA C

ATOM 136 OH TYR A 56 97, .013 17, .369 -22 .090 1, .00 59 .33 AAAA O

ATOM 137 C TYR A 56 97, .204 23, .066 -25 .787 1, .00 55 .70 AAAA C

ATOM 138 O TYR A 56 97 .266 21 .981 -26 .366 1 .00 55 .70 AAAA O

ATOM 139 N ALA A 57 98, .107 24, .026 -25 .950 1, .00 7 .41 AAAA N

ATOM 140 CA ALA A 57 99 .197 23 .885 -26 .910 1 .00 77 .41 AAAA C

ATOM 141 CB ALA A 57 99 .107 25 .064 -27 .867 1 .00 40 .17 AAAA C

ATOM 142 C ALA A 57 100 .627 23 .785 -26 .300 1 .00 77 .41 AAAA C

ATOM 143 O ALA A 57 100 .766 23 .601 -25 .080 1 .00 77 .41 AAAA O ATOM 144 N ASP A 58 101..662 23.,913 -27.,165 1,,00 78..10 AAAA N

ATOM 145 CA ASP A 58 103, .129 23. .797 -26. ,868 1, .00 78, .10 AAAA C

ATOM 146 CB ASP A 58 103, ,938 25. ,093 -27. ,174 1. ,00 92. .20 AAAA C

ATOM 147 CG ASP A 58 103. ,084 26. ,258 -27. 747 1. ,00 92, ,20 AAAA C

ATOM 148 ODl ASP A 58 102. .097 26. .654 -27, ,093 1, ,00 92, .20 AAAA O

ATOM 149 OD2 ASP A 58 103. .383 26. .809 -28. ,833 1, .00 92. .20 AAAA O

ATOM 150 C ASP A 58 103. .487 23. .345 -25, ,454 1. .00 78, .10 AAAA C

ATOM 151 O ASP A 58 104, .040 24. .095 -24. ,648 1. ,00 78. .10 AAAA O

ATOM 152 N THR A 59 103. ,115 22, ,105 -25. .198 1. .00 65. .31 AAAA N

ATOM 153 CA THR A 59 103, .303 21, .382 -23. .973 1. .00 65, .31 AAAA C

ATOM 154 CB THR A 59 102, ,562 20, ,107 -24. ,143 1, ,00 72. ,78 AAAA C

ATOM 155 OG1 THR A 59 101, ,171 20, ,401 -24. ,293 1, ,00 72, .78 AAAA O

ATOM 156 CG2 THR A 59 102. ,836 19, .165 -23, .004 1. .00 72. .78 AAAA C

ATOM 157 C THR A 59 104. .776 21, .048 -23, .840 1. .00 65, .31 AAAA C

ATOM 158 O THR A 59 105. .416 20. .859 -24, .858 1. .00 65, .31 AAAA O

ATOM 159 N ALA A 60 105. .311 20. .994 -22. .615 1. .00 67. ,61 AAAA N

ATOM 160 CA ALA A 60 106, .714 20. .610 -22, .381 1. ,00 67. ,61 AAAA C

ATOM 161 CB ALA A 60 107. .675 21, .822 -22. .568 1. .00 39. .07 AAAA C

ATOM 162 C ALA A 60 106, .820 20, ,068 -20, .960 1. .00 67, .61 AAAA C

ATOM 163 O ALA A 60 106. .023 20, ,433 -20. ,098 1. .00 67. ,61 AAAA O

ATOM 164 N VAL A 61 107. .785 19. .182 -20. .725 1. .00 48. .28 AAAA N

ATOM 165 CA VAL A 61 108, .001 18, .618 -19, .396 1, .00 48, .28 AAAA C

ATOM 166 CB VAL A 61 108. .759 17. .262 -19. .445 1. .00 31, .94 AAAA C

ATOM 167 CGI VAL A 61 109, .147 16, .839 -18, .038 1, .00 31, .94 AAAA C

ATOM 168 CG2 VAL A 61 107. ,900 16, ,187 -20. ,082 1. ,00 31. .94 AAAA C

ATOM 169 C VAL A 61 108. .894 19, .630 -18. .695 1. , 00 48. .28 AAAA C

ATOM 170 O VAL A 61 109, .901 20, .039 -19, .254 1. .00 48, .28 AAAA O

ATOM 171 N ILE A 62 108, .541 20, .041 -17, .484 1, .00 64. .93 AAAA N

ATOM 172 CA ILE A 62 109, .361 21, .017 -16, .785 1. .00 64, .93 AAAA C

ATOM 173 CB ILE A 62 108. .591 22, .331 -16, .560 1. . 00 38. .71 AAAA C

ATOM 174 CG2 ILE A 62 108, .084 22, .851 -17 .884 1, .00 38, .71 AAAA C

ATOM 175 CGI ILE A 62 107 .431 22 .098 -15 .592 1, .00 38 .71 AAAA C

ATOM 176 GDI ILE A 62 106 .663 23 .348 -15 .245 1, .00 38 .71 AAAA C

ATOM 177 C ILE A 62 109, .827 20, ,490 -15, .442 1, .00 64, .93 AAAA C

ATOM 178 O ILE A 62 110 .698 21 .078 -14 .785 1 .00 64 .93 AAAA O

ATOM 179 N GLY A 63 109 .249 19 .376 -15 .026 1 .00 63 .79 AAAA N

ATOM 180 CA GLY A 63 109 .649 18 .832 -13 .751 1, .00 63 .79 AAAA C

ATOM 181 C GLY A 63 109, .390 17, .358 -13 .620 1, .00 63, .79 AAAA C

ATOM 182 O GLY A 63 108, .462 16, .803 -14 .212 1, .00 63, .79 AAAA O

ATOM 183 N ASN A 64 110 .220 16 .710 -12 .825 1 .00 71 .04 AAAA N

ATOM 184 CA ASN A 64 110 .039 15 .305 -12 .634 1 .00 71 .04 AAAA C

ATOM 185 CB ASN A 64 111, .073 14 .548 -13 .448 1, .00 77, .07 AAAA C ATOM 186 CG ASN A 64 110.,434 13.,663 -14.,446 1.,00 77.07 AAAA C

ATOM 187 ODl ASN A 64 109. ,358 13. ,983 -14. ,945 1. ,00 77. 07 AAAA O

ATOM 188 ND2 ASN A 64 111. ,073 12. ,539 -14, ,754 1, ,00 77. 07 AAAA N

ATOM 189 C ASN A 64 110. ,071 14. .902 -11. ,177 1. ,00 71. ,04 AAAA C

ATOM 190 O ASN A 64 109. ,992 15. .769 -10. ,280 1. .00 71. ,04 AAAA O

ATOM 191 N GLY A 65 110. ,162 13. .578 -10. ,945 7. .00200. ,00 AAAA N

ATOM 192 CA GLY A 65 110. .180 13, ,032 -9. ,476 6. .00200. ,00 AAAA C

ATOM 193 C GLY A 65 109. .632 11. ,516 -9. ,311 6. .00200. ,00 AAAA C

ATOM 194 O GLY A 65 108, .838 10, .912 -10, ,365 8. ,00200. ,00 AAAA O

ATOM 195 N SER A 66 109. .917 10, .844 -8. .190 1, ,00106. ,92 AAAA N

ATOM 196 CA SER A 66 109. .447 9, ,467 -8, .097 1, .00106. .92 AAAA C

ATOM 197 CB SER A 66 109, .640 8, .896 -6, .701 1, .00 83. .33 AAAA C

ATOM 198 OG SER A 66 109. .515 7, .482 -6, .766 1. .00 83. .33 AAAA O

ATOM 199 C SER A 66 107, .967 9. ,415 -8. .417 1. ,00106. ,92 AAAA C

ATOM 200 O SER A 66 107. ,483 8. ,575 -9, .185 1, ,00106. ,92 AAAA O

ATOM 201 N ALA A 67 107, ,241 10, .363 -7. .839 7. .00200. ,00 AAAA N

ATOM 202 CA ALA A 67 105. .681 10. .371 -8. .012 6. .00200. .00 AAAA C

ATOM 203 CB ALA A 67 104, .874 10, .798 -6. .444 6, ,00197. .65 AAAA C

ATOM 204 C ALA A 67 105, .213 11, .418 -9. .163 6. .00200. .00 AAAA C

ATOM 205 O ALA A 67 104, .010 12, .198 -8, .993 8, .00200. .00 AAAA O

ATOM 206 N GLY A 68 105, .995 11, .569 -10, .226 1, .00 82. .67 AAAA N

ATOM 207 CA GLY A 68 105, .469 12, .499 -11. ,181 1. .00 82. .67 AAAA C

ATOM 208 C GLY A 68 106. .208 13, .145 -12, .290 1, ,00 82. .67 AAAA C

ATOM 209 O GLY A 68 107, .435 13, .113 -12. .408 1. .00 82. .67 AAAA O

ATOM 210 N VAL A 69 105, .362 13, .751 -13, .107 1. .00 49. .42 AAAA N

ATOM 211 CA VAL A 69 105, .730 14 .463 -14, .290 1, .00 49, .42 AAAA C

ATOM 212 CB VAL A 69 105, .432 13 .611 -15, .522 1, .00 50, .94 AAAA C

ATOM 213 CGI VAL A 69 105, .881 14 .334 -16, .763 1, .00 50, .94 AAAA C

ATOM 214 CG2 VAL A 69 106 .126 12 .251 -15, .387 1, .00 50, .94 AAAA C

ATOM 215 C VAL A 69 104 .855 15 .709 -14, .298 1, .00 49, .42 AAAA C

ATOM 216 O VAL A 69 103 .632 15 .635 -14, .120 1, .00 49 .42 AAAA O

ATOM 217 N VAL A 70 105 .499 16 .854 -14, .477 1. .00 39, .13 AAAA N

ATOM 218 CA VAL A 70 104 .818 18 .131 -14, .509 1, .00 39, .13 AAAA C

ATOM 219 CB VAL A 70 105 .433 19 .114 -13, .471 1, .00 42, .67 AAAA C

ATOM 220 CGI VAL A 70 104 .641 20 .415 -13, .448 1, .00 42 .67 AAAA C

ATOM 221 CG2 VAL A 70 105 .481 18 .471 -12 .102 1, .00 42 .67 AAAA C

ATOM 222 C VAL A 70 105 .061 18 .699 -15 .889 1, .00 39 .13 AAAA C

ATOM 223 O VAL A 70 106 .175 18 .628 -16, .387 1, .00 39, .13 AAAA O

ATOM 224 N TYR A 71 104 .030 19 .244 -16, .517 1, .00 42 .25 AAAA N

ATOM 225 CA TYR A 71 104 .213 19 .858 -17 .829 1, .00 42 .25 AAAA C

ATOM 226 CB TYR A 71 103 .371 19 .177 -18 .919 1, .00 55 .28 AAAA C

ATOM 227 CG TYR A 71 103 .563 17 .691 -19 .040 1, .00 55 .28 AAAA C ATOM 228 CD1 TYR A 71 103.056 16.829 -18.072 1.00 55.,28 AAAA C

ATOM 229 CE1 TYR A 71 103. 208 15. ,460 -18. ,180 1. 00 55. ,28 AAAA C

ATOM 230 CD2 TYR A 71 104. ,234 17. ,143 -20. 124 1. 00 55, ,28 AAAA C

ATOM 231 CE2 TYR A 71 104. ,394 15. ,770 -20. ,244 1. 00 55, ,28 AAAA C

ATOM 232 CZ TYR A 71 103. ,878 14. ,933 -19. ,268 1. 00 55, ,28 AAAA C

ATOM 233 OH TYR A 71 104. ,024 13. ,564 -19. ,362 1. 00 55. ,28 AAAA O

ATOM 234 C TYR A 71 103. ,789 21, ,312 -17, ,774 1. 00 42. ,25 AAAA C

ATOM 235 0 TYR A 71 103. ,182 21, ,765 -16, ,802 1, 00 42. ,25 AAAA O

ATOM 236 N GLN A 72 104. .117 22. ,031 -18. ,837 1. ,00 54. ,42 AAAA N

ATOM 237 CA GLN A 72 103. .747 23. ,428 -18. ,984 1. ,00 54, .42 AAAA C

ATOM 238 CB GLN A 72 104. .982 24. ,315 -19, ,024 1. ,00 85. ,82 AAAA C

ATOM 239 CG GLN A 72 104. ,656 25. .783 -19. ,239 1. 00 85, .82 AAAA C

ATOM 240 CD GLN A 72 105. ,818 26. ,564 -19. ,821 1. 00 85. .82 AAAA C

ATOM 241 OEl GLN A 72 105, ,776 27. ,795 -19. ,898 1. ,00 85. .82 AAAA O

ATOM 242 NE2 GLN A 72 106, .861 25, ,852 -20, ,246 1. ,00 85. .82 AAAA N

ATOM 243 C GLN A 72 103, .073 23, .461 -20, .342 1, ,00 54. .42 AAAA C

ATOM 244 O GLN A 72 103, .516 22. .771 -21, .263 1. ,00 54. .42 AAAA O

ATOM 245 N ALA A 73 102. ,009 24. .240 -20. .481 1. ,00 46, .59 AAAA N

ATOM 246 CA ALA A 73 101. .314 24. .313 -21. ,766 1, ,00 46. .59 AAAA C

ATOM 247 CB ALA A 73 100. .392 23, .098 -21. .931 1. ,00 45, .97 AAAA C

ATOM 248 C ALA A 73 100. .521 25, .610 -21. .905 1. ,00 46, .59 AAAA C

ATOM 249 O ALA A 73 100. .247 26, .286 -20. .914 1. ,00 46, .59 AAAA O

ATOM 250 N LYS A 74 100, .151 25, .949 -23, .136 1. ,00 64, .73 AAAA N

ATOM 251 CA LYS A 74 99, .406 27 .181 -23, .406 1. ,00 64, .73 AAAA C

ATOM 252 CB LYS A 74 100, .040 27 .909 -24, .606 1. .00 76 .17 AAAA C

ATOM 253 CG LYS A 74 99, .517 29 .318 -24, .889 1. .00 76 .17 AAAA C

ATOM 254 CD LYS A 74 100, .177 29 .940 -26, .133 1, .00 76 .17 AAAA C

ATOM 255 CE LYS A 74 101 .694 30 .166 -25 .963 1, .00 76 .17 AAAA C

ATOM 256 NZ LYS A 74 102 .591 29 .285 -26 .815 1, .00 76 .17 AAAA N

ATOM 257 C LYS A 74 97 .938 26 .882 -23 .696 1, .00 64 .73 AAAA C

ATOM 258 O LYS A 74 97 .630 26 .066 -24, .554 1, .00 6 .73 AAAA O

ATOM 259 N LEU A 75 97 .035 27 .532 -22 .969 1, .00 76 .05 AAAA N

ATOM 260 CA LEU A 75 95 .603 27 .345 -23 .183 1, .00 76 .05 AAAA C

ATOM 261 CB LEU A 75 94 .808 27 .906 -22 .004 1, .00 59 .67 AAAA C

ATOM 262 CG LEU A 75 94 .498 26 .892 -20 .900 1 .00 59 .67 AAAA C

ATOM 263 GDI LEU A 75 95 .748 26 .113 -20 .529 1 .00 59 .67 AAAA C

ATOM 264 CD2 LEU A 75 93 .931 27 .622 -19 .693 1 .00 59 .67 AAAA C

ATOM 265 C LEU A 75 95 .208 28 .053 -24 .472 1 .00 76 .05 AAAA C

ATOM 266 O LEU A 75 95 .339 29 .273 -24 .588 1 .00 76 .05 AAAA O

ATOM 267 N CYS A 76 94 .715 27 .275 -25 .431 1 .00 84 .21 AAAA N

ATOM 268 CA CYS A 76 94 .323 27 .782 -26 .743 1 .00 84 .21 AAAA C

ATOM 269 CB CYS A 76 93 .885 26 .621 -27 .623 1 .00 78 .49 AAAA C ATOM 270 SG CYS A 76 95..259 25..532 -27.,979 1.00 78.,49 AAAA S

ATOM 271 C CYS A 76 93. ,262 28. ,858 -26. 797 1. 00 84. ,21 AAAA C

ATOM 272 O CYS A 76 93. ,200 29. ,618 -27. 770 1. 00 84. 21 AAAA O

ATOM 273 N ASP A 77 92. ,428 28. .930 -25. 767 1. 00 75. ,24 AAAA N

ATOM 274 CA ASP A 77 91. ,357 29. .919 -25. ,760 1. 00 75. ,24 AAAA C

ATOM 275 CB ASP A 77 90. ,013 29. .233 -25. ,514 1. 00101, ,01 AAAA C

ATOM 276 CG ASP A 77 89. .956 27, .838 -26. ,126 1. ,00101. .01 AAAA C

ATOM 277 ODl ASP A 77 90. ,556 27. ,645 -27, ,216 1. ,00101. .01 AAAA O

ATOM 278 OD2 ASP A 77 89. ,312 26. .939 -25, ,522 1. ,00101. .01 AAAA O

ATOM 279 C ASP A 77 91. ,583 30. .973 -24, ,701 1. ,00 75. .24 AAAA C

ATOM 280 O ASP A 77 91. ,058 32, .083 -24. ,802 1. ,00 75. .24 AAAA O

ATOM 281 N SER A 78 92, .373 30, .603 -23, .695 1, ,00 92. .63 AAAA N

ATOM 282 CA SER A 78 92, .702 31, .470 -22, .572 1. ,00 92. .63 AAAA C

ATOM 283 CB SER A 78 92. .758 30, ,631 -21. .289 1. ,00 84. .80 AAAA C

ATOM 284 OG SER A 78 91. .640 29. .745 -21. ,198 1. .00 84. ,80 AAAA O

ATOM 285 C SER A 78 94. .048 32. ,163 -22. .791 1. ,00 92. .63 AAAA C

ATOM 286 O SER A 78 94. .373 33, ,142 -22. .107 1. ,00 92. .63 AAAA O

ATOM 287 N GLY A 79 94, .821 31, .656 -23. .754 1. .00 74. .70 AAAA N

ATOM 288 CA GLY A 79 96. .129 32, .216 -24. .036 1. ,00 74, .70 AAAA C

ATOM 289 C GLY A 79 97, .043 32, .046 -22. .843 1. ,00 74, .70 AAAA C

ATOM 290 O GLY A 79 98, .260 32, .117 -22, .971 1. .00 74, .70 AAAA O

ATOM 291 N ALA A 80 96. .433 31, .794 -21. .685 1, ,00 78, .31 AAAA N

ATOM 292 CA ALA A 80 97. .119 31, .646 -20. .398 1, ,00 78. .31 AAAA C

ATOM 293 CB ALA A 80 96. .115 31, .798 -19, .291 1. ,00 47, .75 AAAA C

ATOM 294 C ALA A 80 97, .899 30, .354 -20, .190 1. ,00 78, .31 AAAA C

ATOM 295 0 ALA A 80 97, .537 29, .295 -20, .706 1, .00 78, .31 AAAA O

ATOM 296 N LEU A 81 98, .939 30 .465 -19, .367 1, .00 56, .65 AAAA N

ATOM 297 CA LEU A 81 99 .833 29 .367 -19, .035 1, .00 56, .65 AAAA C

ATOM 298 CB LEU A 81 101 .212 29 .911 -18, .689 1, .00 70 .06 AAAA C

ATOM 299 CG LEU A 81 102 .007 30 .634 -19, .776 1, .00 70 .06 AAAA C

ATOM 300 CD1 LEU A 81 103 .213 31 .288 -19 .130 1, .00 70 .06 AAAA C

ATOM 301 CD2 LEU A 81 102 .433 29 .640 -20, .856 1, .00 70, .06 AAAA C

ATOM 302 C LEU A 81 99 .359 28 .515 -17, .870 1, .00 56 .65 AAAA C

ATOM 303 O LEU A 81 98 .674 28 .995 -16 .966 1, .00 56 .65 AAAA O

ATOM 304 N VAL A 82 99 .762 27 .248 -17 .883 1, .00 42 .79 AAAA N

ATOM 305 CA VAL A 82 99 .383 26 .320 -16 .831 1 .00 42 .79 AAAA C

ATOM 306 CB VAL A 82 98 .028 25 .692 -17 .142 1 .00 47 .50 AAAA C

ATOM 307 CGI VAL A 82 96 .965 26 .770 -17 .243 1 .00 47 .50 AAAA C

ATOM 308 CG2 VAL A 82 98 .112 24 .921 -18 .444 1, .00 47 .50 AAAA C

ATOM 309 C VAL A 82 100 .382 25 .190 -16 .622 1 .00 42 .79 AAAA C

ATOM 310 O VAL A 82 101 .079 24 .759 -17 .543 1 .00 42 .79 AAAA O

ATOM 311 N ALA A 83 100 .461 24 .717 -15 .392 1 .00 43 .38 AAAA N ATOM 312 CA ALA A 83 101.,347 23.,613 -15,,096 1.,00 43.,38 AAAA C

ATOM 313 CB ALA A 83 102. ,041 23. ,819 -13. ,757 1. ,00 42, ,63 AAAA C

ATOM 314 C ALA A 83 100. ,373 22, .464 -15. ,018 1. ,00 43, ,38 AAAA C

ATOM 315 O ALA A 83 99. ,311 22, .600 -14, ,426 1. ,00 43. .38 AAAA O

ATOM 316 N ILE A 84 100. 699 21, ,347 -15, ,649 1. ,00 49. ,64 AAAA N

ATOM 317 CA ILE A 84 99. 807 20. ,204 -15. 598 1. 00 49. ,64 AAAA C

ATOM 318 CB ILE A 84 99. 385 19. ,736 -17. ,006 1. 00 46. ,71 AAAA C

ATOM 319 CG2 ILE A 84 98. ,490 18. ,509 -16. ,888 1. 00 46. ,71 AAAA C

ATOM 320 CGI ILE A 84 98. .660 20. .864 -17. .743 1. .00 46, .71 AAAA C

ATOM 321 CD1 ILE A 84 98. ,296 20, .532 -19. .192 1. .00 46, .71 AAAA C

ATOM 322 C ILE A 84 100. .562 19, .087 -14, .911 1. .00 49, .64 AAAA C

ATOM 323 O ILE A 84 101. ,568 18. .596 -15. ,422 1, ,00 49. .64 AAAA O

ATOM 324 N LYS A 85 100. ,087 18. .698 -13, .740 1. ,00 56, .56 AAAA N

ATOM 325 CA LYS A 85 100, .742 17. .630 -13. .002 1. ,00 56, .56 AAAA C

ATOM 326 CB LYS A 85 100. .742 17, .965 -11. .510 1. .00 47, .38 AAAA C

ATOM 327 CG LYS A 85 101. ,400 16. .920 -10. .648 1, .00 47. .38 AAAA C

ATOM 328 CD LYS A 85 101. ,322 17. .284 -9. .176 1, .00 47, .38 AAAA C

ATOM 329 CE LYS A 85 102, ,077 16. ,253 -8, .357 1. ,00 47. .38 AAAA C

ATOM 330 NZ LYS A 85 102. .136 16. .548 -6. .905 1. .00 47. .38 AAAA N

ATOM 331 C LYS A 85 100. .040 16, .290 -13. .257 1. ,00 56, .56 AAAA C

ATOM 332 O LYS A 85 98. .840 16, .161 -13, .031 1. .00 56, .56 AAAA O

ATOM 333 N LYS A 86 100. .793 15, .302 -13, .734 1. .00 45, .77 AAAA N

ATOM 334 CA LYS A 86 100, .247 13, .983 -14, .031 1, .00 45 .77 AAAA C

ATOM 335 CB LYS A 86 100. .684 13, .557 -15. .427 1. .00 50, .52 AAAA C

ATOM 336 CG LYS A 86 100, .035 12, .296 -15, .947 1, .00 50, .52 AAAA C

ATOM 337 CD LYS A 86 100, .541 12. .032 -17. .351 1. .00 50, .52 AAAA C

ATOM 338 CE LYS A 86 99, .620 11, .111 -18, .139 1. .00 50, .52 AAAA C

ATOM 339 NZ LYS A 86 99, .960 11, .122 -19, .601 1, .00 50 .52 AAAA N

ATOM 340 C LYS A 86 100, .704 12, .945 -13 .006 1, .00 45 .77 AAAA C

ATOM 341 0 LYS A 86 101, .881 12, .567 -12, .961 1, .00 45, .77 AAAA O

ATOM 342 N VAL A 87 99. .754 12. .473 -12, .206 1, .00 42, .77 AAAA N

ATOM 343 CA VAL A 87 100 .025 11, .508 -11 .150 1 .00 42 .77 AAAA C

ATOM 344 CB VAL A 87 99 .589 12, .084 -9 .772 1 .00 46 .75 AAAA C

ATOM 345 CGI VAL A 87 99 .983 11 .140 -8 .649 1 .00 46 .75 AAAA C

ATOM 346 CG2 VAL A 87 100 .217 13 .454 -9 .567 1 .00 46 .75 AAAA C

ATOM 347 C VAL A 87 99 .320 10 .175 -11 .354 1 .00 42 .77 AAAA C

ATOM 348 O VAL A 87 98 .169 10 .128 -11 .769 1 .00 42 .77 AAAA O

ATOM 349 N LEU A 88 100 .026 9 .091 -11 .060 1 .00 54 .23 AAAA N

ATOM 350 CA LEU A 88 99 .463 7 .755 -11 .184 1 .00 54 .23 AAAA C

ATOM 351 CB LEU A 88 100 .585 6 .715 -11 .251 1 .00 57 .35 AAAA C

ATOM 352 CG LEU A 88 100 .203 5 .283 -11 .630 1 .00 57 .35 AAAA C

ATOM 353 CD1 LEU A 88 99 .530 5 .263 -13 .000 1 .00 57 .35 AAAA C ATOM 354 CD2 LEU A 88 101.,453 4,,414 -11.,639 1.00 57.,35 AAAA C

ATOM 355 C LEU A 88 98. ,611 7. ,560 -9. ,928 1. 00 54. .23 AAAA C

ATOM 356 O LEU A 88 99. ,091 7, .738 -8, ,807 1. 00 54. .23 AAAA O

ATOM 357 N GLN A 89 97. ,348 7. .201 -10. ,120 1. 00 52. ,07 AAAA N

ATOM 358 CA GLN A 89 96. ,427 7. ,038 -9. ,009 1. 00 52. ,07 AAAA C

ATOM 359 CB GLN A 89 95. ,411 8, ,183 -9. ,022 1. 00 52, ,45 AAAA C

ATOM 360 CG GLN A 89 94. ,353 8, ,127 -7. .933 1. 00 52. .45 AAAA C

ATOM 361 CD GLN A 89 94, ,945 8. .174 -6. ,541 1. 00 52. .45 AAAA C

ATOM 362 OE1 GLN A 89 95. ,917 8, .884 -6. .295 1. 00 52, .45 AAAA O

ATOM 363 NE2 GLN A 89 94, ,351 7. .431 -5. ,619 1. 00 52. .45 AAAA N

ATOM 364 C GLN A 89 95, .685 5. .720 -9. ,051 1. ,00 52, .07 AAAA C

ATOM 365 O GLN A 89 95. ,437 5. ,162 -10. ,127 1. 00 52. .07 AAAA O

ATOM 366 N ASP A 90 95. .342 5. .220 -7, .867 1. 00 48. .15 AAAA N

ATOM 367 CA ASP A 90 94, ,586 3, .981 -7. ,760 1. 00 48. .15 AAAA C

ATOM 368 CB ASP A 90 94, ,990 3. .216 -6. ,497 1. ,00 63. .45 AAAA C

ATOM 369 CG ASP A 90 94, ,232 1. .911 -6, .334 1. 00 63. .45 AAAA C

ATOM 370 ODl ASP A 90 94. .596 1. .106 -5. .451 1. ,00 63, .45 AAAA O

ATOM 371 OD2 ASP A 90 93, .265 1, .688 -7. .091 1. ,00 63. .45 AAAA O

ATOM 372 C ASP A 90 93. .110 4, .365 -7. .719 1, .00 48, .15 AAAA C

ATOM 373 O ASP A 90 92, .673 5, .123 -6. .844 1. ,00 48, .15 AAAA O

ATOM 374 N LYS A 91 92. .347 3, .863 -8, .688 1. ,00 66, .90 AAAA N

ATOM 375 CA LYS A 91 90. .909 4, .161 -8, .782 1. ,00 66, .90 AAAA C

ATOM 376 CB LYS A 91 90, .268 3 .319 -9, .883 1. .00 40 .83 AAAA C

ATOM 377 CG LYS A 91 90. ,932 3. .413 -11, .228 1. ,00 40. .83 AAAA C

ATOM 378 CD LYS A 91 90, .205 2 .531 -12 .220 1. .00 40 .83 AAAA C

ATOM 379 CE LYS A 91 90, .856 2, .584 -13, .582 1, .00 40, .83 AAAA C

ATOM 380 NZ LYS A 91 90 .052 1 .883 -14 .616 1, .00 40 .83 AAAA N

ATOM 381 C LYS A 91 90. .201 3, .831 -7, .477 1, .00 66 . .90 AAAA C

ATOM 382 O LYS A 91 89 .151 4 .373 -7 .181 1, .00 66 .90 AAAA O

ATOM 383 N ARG A 92 90, .827 2, .949 -6 .710 1. .00 63, .83 AAAA N

ATOM 384 CA ARG A 92 90 .312 2 .441 -5 .452 1 .00 63 .83 AAAA C

ATOM 385 CB ARG A 92 91. .142 1 .239 -5 .022 1. .00 92 .13 AAAA C

ATOM 386 CG ARG A 92 90 .357 0 .062 -4 .487 1 .00 92 .13 AAAA C

ATOM 387 CD ARG A 92 91 .137 -1 .232 -4 .694 1, .00 92 .13 AAAA C

ATOM 388 NE ARG A 92 92 .562 -1 .026 -4 .467 1 .00 92 .13 AAAA N

ATOM 389 CZ ARG A 92 93 .458 -2 .002 -4 .454 1 .00 92 .13 AAAA C

ATOM 390 NH1 ARG A 92 93 .062 -3 .254 -4 .654 1 .00 92 .13 AAAA N

ATOM 391 NH2 ARG A 92 94 .741 -1 .724 -4 .245 1 .00 92 .13 AAAA N

ATOM 392 C ARG A 92 90 .249 3 .402 -4 .253 1 .00 63 .83 AAAA C

ATOM 393 O ARG A 92 89 .869 2 .963 -3 .176 1 .00 63 .83 AAAA O

ATOM 394 N PHE A 93 90 .647 4 .671 -4 .380 1 .00 73 .38 AAAA N

ATOM 395 CA PHE A 93 90 .593 5 .559 -3 .222 1 .00 73 .38 AAAA C ATOM 396 CB PHE A 93 91.,834 5,.402 -2.,303 1.,00 82.,23 AAAA C

ATOM 397 CG PHE A 93 92. .341 4. ,007 -2. .167 1. ,00 82. ,23 AAAA C

ATOM 398 CD1 PHE A 93 93. ,152 3. ,437 -3. ,147 1. 00 82. ,23 AAAA C

ATOM 399 CD2 PHE A 93 92. ,029 3, ,268 -1. .031 1. ,00 82, ,23 AAAA C

ATOM 400 CE1 PHE A 93 93, .649 2. ,136 -2, .989 1, ,00 82, ,23 AAAA C

ATOM 401 CE2 PHE A 93 92, .520 1, ,968 -0. .867 1. ,00 82. ,23 AAAA C

ATOM 402 CZ PHE A 93 93. .333 1. ,404 -1, .849 1. ,00 82, ,23 AAAA C

ATOM 403 C PHE A 93 90. .508 7. .041 -3, .467 1. .00 73. .38 AAAA C

ATOM 404 O PHE A 93 89. .479 7. ,645 -3. .814 1. ,00 73, .38 AAAA O

ATOM 405 N LYS A 94 91. ,664 7. .650 -3. .271 1, ,00 80. .27 AAAA N

ATOM 406 CA LYS A 94 91. .898 9. .115 -3. .257 1, .00 80. .27 AAAA C

ATOM 407 CB LYS A 94 93, .106 9, .338 -2, .319 1, .00 82. .30 AAAA C

ATOM 408 CG LYS A 94 93, .546 8. .157 -1. .445 1. ,00 82. .30 AAAA C

ATOM 409 CD LYS A 94 95, .051 8, ,221 -1. .127 1. ,00 82. .30 AAAA C

ATOM 410 CE LYS A 94 95. .364 7, .270 0. ,005 1, .00 82, .30 AAAA C

ATOM 411 NZ LYS A 94 94. .505 7. .517 1, .234 1. .00 82. .30 AAAA N

ATOM 412 C LYS A 94 92. .112 10. ,061 -4. .379 1. .00 80, .27 AAAA C

ATOM 413 O LYS A 94 91, ,243 10, .534 -5, .140 1. .00 80. .27 AAAA O

ATOM 414 N ASN A 95 93, .281 10, .532 -3, .996 1. .00 68. .72 AAAA N

ATOM 415 CA ASN A 95 94, .175 11, .550 -4 .396 1. .00 68, .72 AAAA C

ATOM 416 CB ASN A 95 94. .202 11. .986 -5, .858 1. .00 42. .00 AAAA C

ATOM 417 CG ASN A 95 95. .489 12. ,751 -6, .121 1. , 00 42. .00 AAAA C

ATOM 418 ODl ASN A 95 95, .656 13, .889 -5, .665 1. .00 42. .00 AAAA O

ATOM 419 ND2 ASN A 95 96. .466 12. ,077 -6, .695 1, ,00 42. ,00 AAAA N

ATOM 420 C ASN A 95 93. .909 12. .734 -3, .530 1. ,00 68. .72 AAAA C

ATOM 421 O ASN A 95 93, .132 13, . 666 -3 .830 1. ,00 68, .72 AAAA O

ATOM 422 N ARG A 96 94, .595 12, .587 -2 .412 1, .00 45, .19 AAAA N

ATOM 423 CA ARG A 96 94, .650 13, .536 -1 .342 1. ,00 45, .19 AAAA C

ATOM 424 CB ARG A 96 95, .905 13, .300 -0, .514 1. .00 46. .58 AAAA C

ATOM 425 CG ARG A 96 95 .744 12 .328 0 .607 1, .00 46 .58 AAAA C

ATOM 426 CD ARG A 96 97 .025 12 .235 1 .394 1, .00 46 .58 AAAA C

ATOM 427 NE ARG A 96 96, .892 11, .316 2 .513 1, .00 46, .58 AAAA N

ATOM 428 CZ ARG A 96 97, .897 10, .921 3, .284 1. .00 46. .58 AAAA C

ATOM 429 NH1 ARG A 96 99 .126 11 .363 3 .058 1, .00 46 .58 AAAA N

ATOM 430 NH2 ARG A 96 97 .665 10 .080 4 .285 1, .00 46 .58 AAAA N

ATOM 431 C ARG A 96 94, .759 14, .887 -2 .012 1, .00 45, .19 AAAA C

ATOM 432 O ARG A 96 93 .970 15 .789 -1 .759 1, .00 45, .19 AAAA O

ATOM 433 N GLU A 97 95 .726 14 .993 -2 .913 1 .00 34 .25 AAAA N

ATOM 434 CA GLU A 97 95 .968 16 .250 -3 .582 1 .00 34 .25 AAAA C

ATOM 435 CB GLU A 97 97 .152 16 .132 -4 .546 1, .00 44 .79 AAAA C

ATOM 436 CG GLU A 97 97 .731 17 .473 -4 .973 1 .00 44 .79 AAAA C

ATOM 437 CD GLU A 97 99 .105 17 .353 -5 .629 1, .00 44 .79 AAAA C ATOM 438 OEl GLU A 97 99.,637 18..391 -6.,077 1.00 44.79 AAAA O

ATOM 439 OE2 GLU A 97 99. ,659 16. .230 -5. ,696 1. 00 44. ,79 AAAA O

ATOM 440 C GLU A 97 94, ,746 16. .808 -4. .287 1. 00 34. ,25 AAAA C

ATOM 441 O GLU A 97 94, ,396 17, .967 -4. .064 1. 00 34. ,25 AAAA O

ATOM 442 N LEU A 98 94. ,075 16. .004 -5, ,107 1. 00 46. 34 AAAA N

ATOM 443 CA LEU A 98 92. ,898 16. ,495 -5, ,819 1. 00 46. 34 AAAA C

ATOM 444 CB LEU A 98 92. ,270 15, .388 -6. ,672 1. 00 66. 01 AAAA C

ATOM 445 CG LEU A 98 91. ,609 15, .796 -8. ,003 1. 00 66 . 01 AAAA C

ATOM 446 GDI LEU A 98 90. ,616 14, .717 -8, ,420 1. ,00 66, ,01 AAAA C

ATOM 447 CD2 LEU A 98 90. .889 17 .134 -7, .877 1, ,00 66. .01 AAAA C

ATOM 448 C LEU A 98 91. .857 17 .017 -4, .838 1, .00 46, .34 AAAA C

ATOM 449 O LEU A 98 91. ,400 18. .150 -4. .948 1. 00 46. ,34 AAAA O

ATOM 450 N GLN A 99 91. ,498 16. ,188 -3, .866 1. 00 56. ,06 AAAA N

ATOM 451 CA GLN A 99 90. ,491 16. .562 -2. .881 1. 00 56. ,06 AAAA C

ATOM 452 CB GLN A 99 90. ,270 15. .407 -1. .910 1. ,00 49. ,71 AAAA C

ATOM 453 CG GLN A 99 89. ,873 14, .121 -2. .622 1. ,00 49. ,71 AAAA C

ATOM 454 CD GLN A 99 88. ,639 14. .302 -3. ,501 1. ,00 49. ,71 AAAA C

ATOM 455 OEl GLN A 99 87. .515 14, .373 -3, .002 1. ,00 49. .71 AAAA O

ATOM 456 NE2 GLN A 99 88, .849 14, .390 -4, .813 1. .00 49. .71 AAAA N

ATOM 457 C GLN A 99 90, .831 17 .832 -2, .119 1. .00 56, .06 AAAA C

ATOM 458 0 GLN A 99 89, .972 18 .695 -1, .919 1. .00 56, .06 AAAA O

ATOM 459 N ILE A 100 92, .080 17, .954 -1. .689 1. .00 41. .52 AAAA N

ATOM 460 CA ILE A 100 92. .500 19, .142 -0, .959 1. .00 41. .52 AAAA C

ATOM 461 CB ILE A 100 93. ,938 18. .989 -0. .446 1. .00 38, .14 AAAA C

ATOM 462 CG2 ILE A 100 94. ,485 20. .334 0, .006 1, .00 38, .14 AAAA C

ATOM 463 CGI ILE A 100 93. .955 17, .982 0, .698 1, .00 38, .14 AAAA C

ATOM 464 GDI ILE A 100 95, .318 17 .672 1 .200 1 .00 38 .14 AAAA C

ATOM 465 C ILE A 100 92, .398 20 .386 -1 .834 1 .00 41 .52 AAAA C

ATOM 466 O ILE A 100 91, .881 21 .408 -1 .399 1 .00 41 .52 AAAA O

ATOM 467 N MET A 101 92, .860 20 .284 -3 .077 1 .00 41 .17 AAAA N

ATOM 468 CA MET A 101 92, .823 21 .417 -3 .993 1, .00 41, .17 AAAA C

ATOM 469 CB MET A 101 93, .634 21. .103 -5, .252 1. .00 63. .00 AAAA C

ATOM 470 CG MET A 101 95. .148 21, .055 -5, .023 1, .00 63, .00 AAAA C

ATOM 471 SD MET A 101 95, ,770 22, .618 -4, .362 1, .00 63, .00 AAAA S

ATOM 472 CE MET A 101 95 .915 23 .576 -5 .862 1 .00 63 .00 AAAA C

ATOM 473 C MET A 101 91 .414 21 .839 -4 .383 1 .00 41 .17 AAAA C

ATOM 474 0 MET A 101 91 .181 22 .995 -4 .755 1 .00 41 .17 AAAA O

ATOM 475 N ARG A 102 90 .468 20 .910 -4 .300 1 .00 56 .63 AAAA N

ATOM 476 CA ARG A 102 89 .095 21 .234 -4 .657 1 .00 56 .63 AAAA C

ATOM 477 CB ARG A 102 88 .292 19 .961 -4 .921 1 .00 60 .29 AAAA C

ATOM 478 CG ARG A 102 88 .833 19 .142 -6 .088 1 .00 60 .29 AAAA C

ATOM 479 CD ARG A 102 87 .769 18 .223 -6 .643 1 .00 60 .29 AAAA C ATOM 480 NE ARG A 102 86,,725 18.,995 -7.,307 1.,00 60.,29 AAAA N

ATOM 481 CZ ARG A 102 85. .575 18, ,497 -7. ,746 1. ,00 60. 29 AAAA C

ATOM 482 NHl ARG A 102 85. .296 17. ,205 -7. ,594 1. ,00 60. ,29 AAAA N

ATOM 483 NH2 ARG A 102 84, .711 19. ,301 -8, ,353 1. .00 60. ,29 AAAA N

ATOM 484 C ARG A 102 88, .409 22. .073 -3. ,592 1. ,00 56. ,63 AAAA C

ATOM 485 O ARG A 102 87. .435 22. ,767 -3, .877 1, ,00 56, ,63 AAAA O

ATOM 486 N LYS A 103 88, .918 22. .016 -2, .365 1, ,00 51, ,56 AAAA N

ATOM 487 CA LYS A 103 88. .333 22. .793 -1, ,276 1. ,00 51. ,56 AAAA C

ATOM 488 CB LYS A 103 88. .683 22. .194 0. ,083 1, .00 47, .68 AAAA C

ATOM 489 CG LYS A 103 88. .093 20. .833 0, ,386 1. ,00 47. ,68 AAAA C

ATOM 490 CD LYS A 103 88. .667 20. .321 1. ,703 1. ,00 47, ,68 AAAA C

ATOM 491 CE LYS A 103 87. .889 19. .143 2. ,250 1. .00 47, ,68 AAAA C

ATOM 492 NZ LYS A 103 88, .300 18. .867 3, ,659 1. .00 47. .68 AAAA N

ATOM 493 C LYS A 103 88, .882 24. .201 -1. ,306 1, ,00 51. ,56 AAAA C

ATOM 494 O LYS A 103 88. .179 25. .167 -1. ,004 1, ,00 51. ,56 AAAA O

ATOM 495 N LEU A 104 90. .154 24. .300 -1. ,677 1. ,00 55, ,28 AAAA N

ATOM 496 CA LEU A 104 90, .854 25, .570 -1. ,700 1. .00 55. .28 AAAA C

ATOM 497 CB LEU A 104 92, .353 25, .321 -1. .814 1. .00 43. .61 AAAA C

ATOM 498 CG LEU A 104 92, .880 24, .311 -0. ,793 1. .00 43. .61 AAAA C

ATOM 499 CD1 LEU A 104 94, ,396 24, ,228 -0. .904 1. .00 43, .61 AAAA C

ATOM 500 CD2 LEU A 104 92, .459 24, .711 0, .620 1. .00 43, .61 AAAA C

ATOM 501 C LEU A 104 90 .417 26 .558 -2, ,758 1, .00 55, .28 AAAA C

ATOM 502 O LEU A 104 90. .188 26, .209 -3. .913 1. .00 55, .28 AAAA O

ATOM 503 N ASP A 105 90, .315 27, .806 -2. .328 1. .00 51. .96 AAAA N

ATOM 504 CA ASP A 105 89, .925 28, .926 -3, .168 1, .00 51. . 96 AAAA C

ATOM 505 CB ASP A 105 88, .406 28, .938 -3. .346 1. .00 68, .51 AAAA C

ATOM 506 CG ASP A 105 87 .929 30 .115 -4, .155 1, .00 68 .51 AAAA C

ATOM 507 ODl ASP A 105 86 .697 30, .284 -4, .288 1. .00 68, .51 AAAA O

ATOM 508 OD2 ASP A 105 88 .782 30 .874 -4 .657 1, .00 68 .51 AAAA O

ATOM 509 C ASP A 105 90 .398 30 .137 -2 .358 1, .00 51 .96 AAAA C

ATOM 510 O ASP A 105 89 .714 30, .607 -1, .437 1, .00 51, .96 AAAA O

ATOM 511 N HIS A 106 91 .587 30 .622 -2 .696 1, .00 36 .05 AAAA N

ATOM 512 CA HIS A 106 92 .200 31 .727 -1, .971 1, .00 36 .05 AAAA C

ATOM 513 CB HIS A 106 92 .889 31 .158 -0 .726 1 .00 39 .68 AAAA C

ATOM 514 CG HIS A 106 93 .442 32 .189 0 .204 1 .00 39 .68 AAAA C

ATOM 515 CD2 HIS A 106 93 .063 32 .554 1 .453 1 .00 39 .68 AAAA C

ATOM 516 ND1 HIS A 106 94 .540 32 .963 -0 .103 1 .00 39 .68 AAAA N

ATOM 517 CΞ1 HIS A 106 94 .815 33 .758 0, .915 1, .00 39 .68 AAAA C

ATOM 518 NE2 HIS A 106 93 .934 33 .530 1 .873 1 .00 39 .68 AAAA N

ATOM 519 C HIS A 106 93 .203 32 .414 -2 .897 1 .00 36 .05 AAAA C

ATOM 520 O HIS A 106 93 .831 31 .768 -3 .734 1 .00 36 .05 AAAA O

ATOM 521 N CYS A 107 93 .343 33 .724 -2 .745 1 .00 38 .14 AAAA N ATOM 522 CA CYS A 107 94..239 34..500 -3.,581 1.,00 38.,14 AAAA C

ATOM 523 CB CYS A 107 94. .060 35, .987 -3. ,282 1, ,00 65. ,37 AAAA C

ATOM 524 SG CYS A 107 94. .402 36. .437 -1. ,565 1. ,00 65, ,37 AAAA S

ATOM 525 C CYS A 107 95. .705 34. .125 -3. ,430 1. 00 38. ,14 AAAA C

ATOM 526 O CYS A 107 96, .495 34, .314 -4. .350 1, .00 38. .14 AAAA O

ATOM 527 N ASN A 108 96, .087 33. .588 -2. ,281 1. ,00 39. ,06 AAAA N

ATOM 528 CA ASN A 108 97. .490 33. .243 -2. ,101 1. ,00 39, ,06 AAAA C

ATOM 529 CB ASN A 108 97. ,986 33. .737 -0. ,747 1. ,00 42. ,62 AAAA C

ATOM 530 CG ASN A 108 97. ,973 35. .250 -0, ,647 1. ,00 42, ,62 AAAA C

ATOM 531 ODl ASN A 108 97, .329 35, .815 0, .233 1. .00 42. .62 AAAA O

ATOM 532 ND2 ASN A 108 98, .682 35, .914 -1. .554 1. .00 42. .62 AAAA N

ATOM 533 C ASN A 108 97, ,786 31. ,772 -2. ,272 1. ,00 39. ,06 AAAA C

ATOM 534 O ASN A 108 98. ,811 31. .279 -1. ,814 1. ,00 39, . 06 AAAA O

ATOM 535 N ILE A 109 96. .881 31, .073 -2. .943 1. .00 35, .61 AAAA N

ATOM 536 CA ILE A 109 97. .076 29, .664 -3. .213 1. .00 35, .61 AAAA C

ATOM 537 CB ILE A 109 96. ,125 28. .785 -2, ,371 1. .00 30. .72 AAAA C

ATOM 538 CG2 ILE A 109 96, .251 27, .313 -2, ,798 1, .00 30. .72 AAAA C

ATOM 539 CGI ILE A 109 96. .470 28. ,954 -0. .884 1. .00 30. .72 AAAA C

ATOM 540 CD1 ILE A 109 95. .482 28, .338 0. .047 1. .00 30. .72 AAAA C

ATOM 541 C ILE A 109 96, .844 29, .413 -4. .692 1, .00 35, .61 AAAA C

ATOM 542 O ILE A 109 95, .880 29, .904 -5. .267 1, .00 35. .61 AAAA O

ATOM 543 N VAL A 110 97. .751 28, . 666 -5, .307 1, .00 40, .81 AAAA N

ATOM 544 CA VAL A 110 97 .639 28 .341 -6, .720 1, .00 40, .81 AAAA C

ATOM 545 CB VAL A 110 98, .746 27, .340 -7, .132 1, .00 42, .78 AAAA C

ATOM 546 CGI VAL A 110 98, .468 25, .973 -6. .534 1, .00 42, .78 AAAA C

ATOM 547 CG2 VAL A 110 98. .851 27. .264 -8. . 639 1. .00 42. .78 AAAA C

ATOM 548 C VAL A 110 96 .268 27, .712 -6, .940 1, .00 40, .81 AAAA C

ATOM 549 O VAL A 110 95 .873 26 .821 -6 .188 1 .00 40, .81 AAAA O

ATOM 550 N ARG A 111 95 .532 28 .166 -7, .953 1, .00 43, .98 AAAA N

ATOM 551 CA ARG A 111 94. .206 27, .598 -8. .196 1. .00 43. .98 AAAA C

ATOM 552 CB ARG A 111 93, ,230 28, .651 -8, .741 1, .00 79, .43 AAAA C

ATOM 553 CG ARG A 111 93 .451 29 .029 -10 .199 1 .00 79, .43 AAAA C

ATOM 554 CD ARG A 111 92 .136 29 .362 -10 .912 1 .00 79, .43 AAAA C

ATOM 555 NE ARG A 111 91, .353 30, .394 -10, .236 1, .00 79, .43 AAAA N

ATOM 556 CZ ARG A 111 90 .136 30 .780 -10 .619 1 .00 79, .43 AAAA C

ATOM 557 NHl ARG A 111 89 .563 30 .218 -11 .678 1 .00 79 .43 AAAA N

ATOM 558 NH2 ARG A 111 89 .484 31 .723 -9 .942 1 .00 79 .43 AAAA N

ATOM 559 C ARG A 111 94 .198 26 .409 -9 .148 1 .00 43 .98 AAAA C

ATOM 560 O ARG A 111 94 .937 26 .384 -10 .141 1 .00 43 .98 AAAA O

ATOM 561 N LEU A 112 93 .374 25 .414 -8 .822 1 .00 34 .77 AAAA N

ATOM 562 CA LEU A 112 93 .218 24 .251 -9 .684 1 .00 34 .77 AAAA C

ATOM 563 CB LEU A 112 92 .625 23 .078 -8 .913 1 .00 47 .03 AAAA C ATOM 564 CG LEU A 112 92.353 21.794 -9.699 1.00 47.03 AAAA C

ATOM 565 CD1 LEU A 112 93.660 21.153 -10.149 1.00 47.03 AAAA C

ATOM 566 CD2 LEU A 112 91.582 20.832 -8.808 1.00 47.03 AAAA C

ATOM 567 C LEU A 112 92.210 24.760 -10.709 1.00 34.77 AAAA C

ATOM 568 O LEU A 112 91.044 25.001 -10.380 1.00 34.77 AAAA O

ATOM 569 N ARG A 113 92.664 24.962 -11.941 1.00 50.06 AAAA N

ATOM 570 CA ARG A 113 91.779 25.473 -12.968 1.00 50.06 AAAA C

ATOM 571 CB ARG A 113 92.598 26.112 -14.092 1.00101.84 AAAA C

ATOM 572 CG ARG A 113 92.054 27.482 -14.503 1.00101.84 AAAA C

ATOM 573 CD ARG A 113 92.995 28.213 -15.438 1.00101.84 AAAA C

ATOM 574 NE ARG A 113 92.433 29.457 -15.969 1.00101.84 AAAA N

ATOM 575 CZ ARG A 113 93.145 30.334 -16.675 1.00101.84 AAAA C

ATOM 576 NHl ARG A 113 94.427 30.090 -16.921 1.00101.84 AAAA N

ATOM 577 NH2 ARG A 113 92.589 31.451 -17.133 1.00101.84 AAAA N

ATOM 578 C ARG A 113 90.862 24.372 -13.495 1.00 50.06 AAAA C

ATOM 579 O ARG A 113 89.669 24.590 -13.719 1.00 50.06 AAAA O

ATOM 580 N TYR A 114 91.425 23.186 -13.678 1.00 48.16 AAAA N

ATOM 581 CA TYR A 114 90.667 22.042 -14.149 1.00 48.16 AAAA C

ATOM 582 CB TYR A 114 90.602 21.984 -15.679 1.00 45.94 AAAA C

ATOM 583 CG TYR A 114 89.971 23.170 -16.375 1.00 45.94 AAAA C

ATOM 584 GDI TYR A 114 90.756 24.098 -17.060 1.00 45.94 AAAA C

ATOM 585 CE1 TYR A 114 90.181 25.177 -17.704 1.00 45.94 AAAA C

ATOM 586 CD2 TYR A 114 88.590 23.359 -16.358 1.00 45.94 AAAA C

ATOM 587 CE2 TYR A 114 88.008 24.435 -16.999 1.00 45.94 AAAA C

ATOM 588 CZ TYR A 114 88.805 25.342 -17.666 1.00 45.94 AAAA C

ATOM 589 OH TYR A 114 88.233 26.436 -18.266 1.00 45.94 AAAA O

ATOM 590 C TYR A 114 91.383 20.787 -13.694 1.00 48.16 AAAA C

ATOM 591 O TYR A 114 92.435 20.835 -13.062 1.00 48.16 AAAA O

ATOM 592 N PHE A 115 90.800 19.652 -14.029 1.00 55.42 AAAA N

ATOM 593 CA PHE A 115 91.419 18.385 -13.721 1.00 55.42 AAAA C

ATOM 594 CB PHE A 115 91.338 18.070 -12.219 1.00 43.04 AAAA C

ATOM 595 CG PHE A 115 89.962 17.738 -11.710 1.00 43.04 AAAA C

ATOM 596 CD1 PHE A 115 89.459 16.450 -11.822 1.00 43.04 AAAA C

ATOM 597 CD2 PHE A 115 89.204 18.698 -11.042 1.00 43.04 AAAA C

ATOM 598 CE1 PHE A 115 88.222 16.112 -11.268 1.00 43.04 AAAA C

ATOM 599 CE2 PHE A 115 87.960 18.369 -10.483 1.00 43.04 AAAA C

ATOM 600 CZ PHE A 115 87.472 17.073 -10.597 1.00 43.04 AAAA C

ATOM 601 C PHE A 115 90.735 17.346 -14.571 1.00 55.42 AAAA C

ATOM 602 O PHE A 115 89.516 17.328 -14.696 1.00 55.42 AAAA O

ATOM 603 N PHE A 116 91.531 16.510 -15.210 1.00 58.51 AAAA N

ATOM 604 CA PHE A 116 90.959 15.487 -16.048 1.00 58.51 AAAA C

ATOM 605 CB PHE A 116 90.963 15.928 -17.505 1.00 46.67 AAAA C ATOM 606 CG PHE A 116 92.,328 16.197 -18.056 1.,00 46.,67 AAAA C

ATOM 607 CD1 PHE A 116 93. ,038 15.200 -18.715 1. 00 46. ,67 AAAA C

ATOM 608 CD2 PHE A 116 92. ,887 17.467 -17.956 1, ,00 46. .67 AAAA C

ATOM 609 CE1 PHE A 116 94, ,287 15.466 -19.273 1. ,00 46. ,67 AAAA C

ATOM 610 CE2 PHE A 116 94, .132 17.742 -18.510 1. .00 46. .67 AAAA C

ATOM 611 CZ PHE A 116 94. ,835 16.743 -19.172 1. ,00 46. ,67 AAAA C

ATOM 612 C PHE A 116 91. ,743 14.219 -15.896 1. ,00 58. ,51 AAAA C

ATOM 613 O PHE A 116 92. ,916 14.229 -15.524 1, ,00 58. ,51 AAAA O

ATOM 614 N TYR A 117 91. ,088 13.107 -16.173 1, ,00 45. ,52 AAAA N

ATOM 615 CA TYR A 117 91. .786 11.860 -16.057 1. ,00 45. ,52 AAAA C

ATOM 616 CB TYR A 117 90. ,893 10.804 -15.437 1. ,00 37. ,30 AAAA C

ATOM 617 CG TYR A 117 90. .584 11.132 -14.006 1. .00 37, .30 AAAA C

ATOM 618 GDI TYR A 117 89, ,640 12.111 -13.678 1. ,00 37, .30 AAAA C

ATOM 619 CE1 TYR A 117 89. .396 12.451 -12.358 1. .00 37, .30 AAAA C

ATOM 620 CD2 TYR A 117 91. ,276 10.508 -12.971 1. .00 37. .30 AAAA C

ATOM 621 CE2 TYR A 117 91. .049 10.841 -11.658 1. ,00 37, .30 AAAA C

ATOM 622 CZ TYR A 117 90, .108 11.809 -11.353 1, .00 37, .30 AAAA C

ATOM 623 OH TYR A 117 89. ,877 12.130 -10.033 1, .00 37, .30 AAAA O

ATOM 624 C TYR A 117 92, ,306 11.416 -17.395 1, .00 45, .52 AAAA C

ATOM 625 O TYR A 117 91. .691 11.645 -18.437 1. .00 45, .52 AAAA O

ATOM 626 N SER A 118 93, .496 10.840 -17.351 1. .00 56, .98 AAAA N

ATOM 627 CA SER A 118 94. .153 10.315 -18.530 1, ,00 56, .98 AAAA C

ATOM 628 CB SER A 118 95, .577 10.840 -18.619 1, .00 72 .75 AAAA C

ATOM 629 OG SER A 118 96, .209 10.338 -19.777 1, .00 72, .75 AAAA O

ATOM 630 C SER A 118 94, .129 8.821 -18.227 1, .00 56 .98 AAAA C

ATOM 631 O SER A 118 94, .238 8.413 -17.062 1. .00 56, .98 AAAA O

ATOM 632 N SER A 119 93, .955 8.012 -19.268 1, .00 71 .27 AAAA N

ATOM 633 CA SER A 119 93, .849 6.573 -19.091 1, .00 71 .27 AAAA C

ATOM 634 CB SER A 119 93 .108 5.945 -20.276 1, .00 76 .53 AAAA C

ATOM 635 OG SER A 119 93 .883 5.928 -21.460 1, .00 76 .53 AAAA O

ATOM 636 C SER A 119 95 .108 5.781 -18.751 1, .00 71 .27 AAAA C

ATOM 637 O SER A 119 96 .205 5.967 -19.304 1 .00 71 .27 AAAA O

ATOM 638 N GLY A 120 94 .886 4.875 -17.804 1, .00 82 .30 AAAA N

ATOM 639 CA GLY A 120 95 .918 4.036 -17.214 1 .00 82 .30 AAAA C

ATOM 640 C GLY A 120 96 .941 3.257 -18.021 1, .00 82 .30 AAAA C

ATOM 641 O GLY A 120 97 .718 3.801 -18.830 1 .00 82 .30 AAAA O

ATOM 642 N ALA A 121 96 .979 1.973 -17.700 1, .00 74 .78 AAAA N

ATOM 643 CA ALA A 121 97 .863 0.999 -18.310 1, .00 74 .78 AAAA C

ATOM 644 CB ALA A 121 99 .329 1.381 -18.153 1 .00 64 .48 AAAA C

ATOM 645 C ALA A 121 97 .580 -0.308 -17.591 1 .00 74 .78 AAAA C

ATOM 646 O ALA A 121 97 .218 -1.321 -18.206 1 .00 74 .78 AAAA O

ATOM 647 N ALA A 122 97 .782 -0.285 -16.284 1 .00 64 .89 AAAA N ATOM 648 CA ALA A 122 97.,477 -1.425 -15.447 1.00 64.89 AAAA C

ATOM 649 CB ALA A 122 98 . 362 -1.390 -14.197 1. 00 54. 74 AAAA C

ATOM 650 C ALA A 122 96, ,042 -1.021 -15.132 1. ,00 64. ,89 AAAA C

ATOM 651 O ALA A 122 95, ,800 0.135 -14.758 1. ,00 64. ,89 AAAA O

ATOM 652 N ALA A 123 95, ,085 -1.927 -15.309 1. 00 72. 06 AAAA N

ATOM 653 CA ALA A 123 93, ,633 -1.648 -15.094 1. ,00 72. ,06 AAAA C

ATOM 654 CB ALA A 123 92. ,831 -2.890 -15.420 1, ,00 52. ,81 AAAA C

ATOM 655 C ALA A 123 93. ,138 -1.151 -13.741 1. ,00 72. ,06 AAAA C

ATOM 656 O ALA A 123 92. .032 -0.625 -13.655 1. ,00 72. ,06 AAAA O

ATOM 657 N ASP A 124 93. .942 -1.312 -12.705 1. .00 71. .61 AAAA N

ATOM 658 CA ASP A 124 93. .570 -0.918 -11.358 1, .00 71. .61 AAAA C

ATOM 659 CB ASP A 124 94, .342 -1.849 -10.419 1. ,00 99. ,05 AAAA C

ATOM 660 CG ASP A 124 95, ,647 -2.363 -11.079 1. ,00 99. ,05 AAAA C

ATOM 661 ODl ASP A 124 95, ,693 -2.404 -12.343 1. ,00 99. ,05 AAAA O

ATOM 662 OD2 ASP A 124 96. .615 -2.717 -10.379 1. ,00 99, ,05 AAAA O

ATOM 663 C ASP A 124 93. .880 0.574 -11.115 1, .00 71, .61 AAAA C

ATOM 664 O ASP A 124 93. .355 1.204 -10.177 1, ,00 71, ,61 AAAA O

ATOM 665 N GLU A 125 94. .716 1.123 -11.994 1. ,00 72, .59 AAAA N

ATOM 666 CA GLU A 125 95. .150 2.502 -11.891 1. ,00 72, ,59 AAAA C

ATOM 667 CB GLU A 125 96. ,666 2.543 -11.897 1. ,00 83, .89 AAAA C

ATOM 668 CG GLU A 125 97, .265 1.779 -10.760 1. .00 83. .89 AAAA C

ATOM 669 CD GLU A 125 98, .574 1.156 -11.153 1. .00 83. .89 AAAA C

ATOM 670 OEl GLU A 125 99, .093 0.317 -10.371 1. .00 83. .89 AAAA O

ATOM 671 OE2 GLU A 125 99 .074 1.513 -12.252 1, .00 83, .89 AAAA O

ATOM 672 C GLU A 125 94, .633 3.460 -12.940 1, .00 72. .59 AAAA C

ATOM 673 O GLU A 125 93, .980 3.067 -13.914 1, .00 72, .59 AAAA O

ATOM 674 N VAL A 126 94, .971 4.728 -12.715 1. . 00 49. . 68 AAAA N

ATOM 675 CA VAL A 126 94 .553 5.803 -13.585 1, .00 49 .68 AAAA C

ATOM 676 CB VAL A 126 93 .091 6.174 -13.276 1 .00 49 .65 AAAA C

ATOM 677 CGI VAL A 126 93 .021 6.925 -11.939 1 .00 49 .65 AAAA C

ATOM 678 CG2 VAL A 126 92 .490 6.976 -14.424 1 .00 49 .65 AAAA C

ATOM 679 C VAL A 126 95 .413 7.059 -13.421 1 .00 49 .68 AAAA C

ATOM 680 O VAL A 126 96 .049 7.272 -12.379 1, . 00 49 . 68 AAAA O

ATOM 681 N TYR A 127 95 .421 7.894 -14.455 1, .00 50 .00 AAAA N

ATOM 682 CA TYR A 127 96 .179 9.137 -14.424 1 .00 50 .00 AAAA C

ATOM 683 CB TYR A 127 96 .903 9.338 -15.760 1 .00 82 .96 AAAA C

ATOM 684 CG TYR A 127 98 .088 8.413 -15.905 1 .00 82 .96 AAAA C

ATOM 685 CD1 TYR A 127 98 .083 7.362 -16.827 1 .00 82 .96 AAAA C

ATOM 686 CE1 TYR A 127 99 .159 6.462 -16.895 1 .00 82 .96 AAAA C

ATOM 687 CD2 TYR A 127 99 .193 8.549 -15.062 1 .00 82 . 96 AAAA C

ATOM 688 CE2 TYR A 127 100 .261 7.665 -15.119 1 .00 82 .96 AAAA C

ATOM 689 CZ TYR A 127 100 .243 6.625 -16.033 1 .00 82 .96 AAAA C ATOM 690 OH TYR A 127 101.,312 5.752 -16..075 1..00 82.96 AAAA O

ATOM 691 C TYR A 127 95. ,297 10. 338 -14. ,107 1. ,00 50. 00 AAAA C

ATOM 692 O TYR A 127 94. ,254 10. 551 -14. ,724 1. ,00 50. ,00 AAAA O

ATOM 693 N LEU A 128 95, .721 11. ,106 -13, ,114 1, ,00 39. ,85 AAAA N

ATOM 694 CA LEU A 128 95. .009 12. ,298 -12. ,709 1. ,00 39, ,85 AAAA C

ATOM 695 CB LEU A 128 94, ,873 12. ,319 -11. ,187 1. ,00 42, ,19 AAAA C

ATOM 696 CG LEU A 128 94, .320 13, .588 -10. .542 1. ,00 42, .19 AAAA C

ATOM 697 CD1 LEU A 128 93. ,066 14. 078 -11. ,262 1. ,00 42. 19 AAAA C

ATOM 698 CD2 LEU A 128 94. ,031 13. 292 -9. ,090 1. ,00 42. 19 AAAA C

ATOM 699 C LEU A 128 95. .861 13. ,457 -13. ,228 1. .00 39. ,85 AAAA C

ATOM 700 O LEU A 128 97. ,087 13. ,414 -13. .144 1. ,00 39. ,85 AAAA O

ATOM 701 N ASN A 129 95. .209 14. ,470 -13. ,786 1, ,00 43. ,50 AAAA N

ATOM 702 CA ASN A 129 95. .920 15. ,606 -14. ,358 1. ,00 43. .50 AAAA C

ATOM 703 CB ASN A 129 95, .759 15. ,612 -15. ,885 1. ,00 47. ,88 AAAA C

ATOM 704 CG ASN A 129 96, .376 14. .388 -16. .551 1. .00 47. ,88 AAAA C

ATOM 705 ODl ASN A 129 97, .539 14, .405 -16. .971 1. .00 47, .88 AAAA O

ATOM 706 ND2 ASN A 129 95, .597 13. .310 -16, .641 1. .00 47. .88 AAAA N

ATOM 707 C ASN A 129 95, .433 16. .931 -13, .805 1. .00 43. .50 AAAA C

ATOM 708 O ASN A 129 94, .392 17, .455 -14, .222 1. .00 43. .50 AAAA O

ATOM 709 N LEU A 130 96, .201 17. .469 -12. .869 1. .00 45. .79 AAAA N

ATOM 710 CA LEU A 130 95, .874 18. .743 -12. .258 1. .00 45. .79 AAAA C

ATOM 711 CB LEU A 130 96, .512 18, .840 -10. .874 1, .00 49. .09 AAAA C

ATOM 712 CG LEU A 130 95, .791 18. .139 -9. .721 1. .00 49. .09 AAAA C

ATOM 713 GDI LEU A 130 95, .338 16. .756 -10. .122 1. .00 49. .09 AAAA C

ATOM 714 CD2 LEU A 130 96 . .724 18, .079 -8. .525 1. .00 49. .09 AAAA C

ATOM 715 C LEU A 130 96 . .406 19, .843 -13, .157 1, .00 45, .79 AAAA C

ATOM 716 O LEU A 130 97, .587 19, .853 -13, .513 1, .00 45, .79 AAAA O

ATOM 717 N VAL A 131 95 .522 20 .757 -13, .532 1, .00 34, .84 AAAA N

ATOM 718 CA VAL A 131 95 .872 21 .868 -14, .397 1, . 00 34 .84 AAAA C

ATOM 719 CB VAL A 131 94 . .835 22, .013 -15, .528 1. . 00 44, . 89 AAAA C

ATOM 720 CGI VAL A 131 95, .159 23, .222 -16, .392 1. .00 44, .89 AAAA C

ATOM 721 CG2 VAL A 131 94, .819 20, .741 -16, .364 1. .00 44, .89 AAAA C

ATOM 722 C VAL A 131 95 .893 23 .108 -13, .533 1, .00 3 .84 AAAA C

ATOM 723 O VAL A 131 94 .857 23 .711 -13, .263 1, .00 3 .84 AAAA O

ATOM 724 N LEU A 132 97 .088 23 .473 -13 .088 1 .00 52 .61 AAAA N

ATOM 725 CA LEU A 132 97 .278 24 .619 -12 .203 1 .00 52 .61 AAAA C

ATOM 726 CB LEU A 132 98 .256 24 .230 -11 .100 1 .00 41 .77 AAAA C

ATOM 727 CG LEU A 132 98 .016 22 .829 -10 .527 1 .00 41 .77 AAAA C

ATOM 728 CD1 LEU A 132 99 .321 22 .255 -9 .996 1 .00 41 .77 AAAA C

ATOM 729 CD2 LEU A 132 96 .952 22 .896 -9 .453 1 .00 41 .77 AAAA C

ATOM 730 C LEU A 132 97 .800 25 .854 -12 .916 1 .00 52 .61 AAAA C

ATOM 731 O LEU A 132 98 .194 25 .787 -14 .085 1 .00 52 .61 AAAA O ATOM 732 N ASP A 133 97,,809 26..974 -12.,194 1.,00 64.,78 AAAA N

ATOM 733 CA ASP A 133 98, ,304 28, .235 -12. ,735 1, .00 64. .78 AAAA C

ATOM 734 CB ASP A 133 97. ,986 29, ,386 -11. ,790 1. 00 83. 67 AAAA C

ATOM 735 CG ASP A 133 96. ,555 29. .385 -11. ,346 1. ,00 83. ,67 AAAA C

ATOM 736 ODl ASP A 133 95. 674 29. ,446 -12. 233 1. 00 83. 67 AAAA O

ATOM 737 OD2 ASP A 133 96. ,317 29. ,329 -10, ,115 1. ,00 83, ,67 AAAA O

ATOM 738 C ASP A 133 99. ,809 28. ,131 -12. 868 1. 00 64. ,78 AAAA C

ATOM 739 O ASP A 133 100. ,463 27, .530 -12. ,016 1, ,00 64. ,78 AAAA O

ATOM 740 N TYR A 134 100. ,356 28. .707 -13. ,932 1. ,00 63. ,45 AAAA N

ATOM 741 CA TYR A 134 101, ,791 28. ,671 -14. ,118 1, .00 63. ,45 AAAA C

ATOM 742 CB TYR A 134 102, .153 28. .361 -15, ,558 1, ,00 75. ,75 AAAA C

ATOM 743 CG TYR A 134 103. .648 28. .394 -15. .766 1, ,00 75. ,75 AAAA C

ATOM 744 GDI TYR A 134 104. .473 27. .444 -15, .161 1, .00 75. .75 AAAA C

ATOM 745 CE1 TYR A 134 105. .847 27, .474 -15. .333 1. .00 75. .75 AAAA C

ATOM 746 CD2 TYR A 134 104. ,242 29, .382 -16, .551 1. .00 75. .75 AAAA C

ATOM 747 CE2 TYR A 134 105. .620 29. .422 -16. .732 1. .00 75. .75 AAAA C

ATOM 748 CZ TYR A 134 106. .418 28, .464 -16. .120 1. .00 75, .75 AAAA C

ATOM 749 OH TYR A 134 107. ,787 28. .493 -16. .287 1. .00 75. .75 AAAA O

ATOM 750 C TYR A 134 102. .413 30. .008 -13, .754 1. .00 63. .45 AAAA C

ATOM 751 O TYR A 134 101. .928 31. .067 -14. .154 1, .00 63. .45 AAAA O

ATOM 752 N VAL A 135 103. .491 29. .949 -12. .986 1. .00 50. .28 AAAA N

ATOM 753 CA VAL A 135 104, .211 31, .144 -12, .579 1. .00 50. .28 AAAA C

ATOM 754 CB VAL A 135 103, .707 31, .664 -11, .220 1. .00 56, .20 AAAA C

ATOM 755 CGI VAL A 135 104. .282 33. .032 -10. .935 1. .00 56. .20 AAAA C

ATOM 756 CG2 VAL A 135 102, .191 31, .723 -11, .216 1, .00 56, .20 AAAA C

ATOM 757 C VAL A 135 105, .651 30, .658 -12, .465 1, .00 50, .28 AAAA C

ATOM 758 O VAL A 135 105, .977 29 .823 -11 .620 1, .00 50 .28 AAAA O

ATOM 759 N PRO A 136 106, .528 31, .151 -13. .345 1, .00 54 .81 AAAA N

ATOM 760 CD PRO A 136 106, .266 32, .103 -14. .441 1, ,00 54, .78 AAAA C

ATOM 761 CA PRO A 136 107, .933 30 .744 -13 .322 1, .00 54 .81 AAAA C

ATOM 762 CB PRO A 136 108, .445 31 .225 -14 .678 1, .00 54 .78 AAAA C

ATOM 763 CG PRO A 136 107 .664 32 .486 -14 .881 1 .00 54 .78 AAAA C

ATOM 764 C PRO A 136 108 .714 31 .336 -12 .155 1 .00 54 .81 AAAA C

ATOM 765 O PRO A 136 109 .694 30 .754 -11 .706 1 .00 54 .81 AAAA O

ATOM 766 N GLU A 137 108. .274 32, .483 -11, .650 1. .00 36, .46 AAAA N

ATOM 767 CA GLU A 137 108 .988 33 .114 -10 .548 1 .00 36 .46 AAAA C

ATOM 768 CB GLU A 137 108, .723 34 .623 -10 .545 1, .00 80, .62 AAAA C

ATOM 769 CG GLU A 137 109 .621 35 .422 -9 .582 1 .00 80 .62 AAAA C

ATOM 770 CD GLU A 137 111 .028 35 .687 -10 .124 1 .00 80 .62 AAAA C

ATOM 771 OEl GLU A 137 111 .706 34 .725 -10 .553 1 .00 80 .62 AAAA O

ATOM 772 OE2 GLU A 137 111 .458 36 .867 -10 .113 1 .00 80 .62 AAAA O

ATOM 773 C GLU A 137 108 .648 32 .512 -9 .177 1 .00 36 .46 AAAA C ATOM 774 O GLU A 137 107.,492 32.,170 -8..892 1.00 36..46 AAAA O

ATOM 775 N THR A 138 109, ,672 32, .369 -8. .338 1. ,00 43. ,57 AAAA N

ATOM 776 CA THR A 138 109. .494 31. .829 -6. ,995 1. 00 43, ,57 AAAA C

ATOM 777 CB THR A 138 109. ,884 30. ,330 -6, ,904 1. 00 32. ,29 AAAA C

ATOM 778 OG1 THR A 138 111. 274 30. ,174 -7, ,213 1. 00 32. ,29 AAAA O

ATOM 779 CG2 THR A 138 109, .036 29, .495 -7, ,853 1. ,00 32, ,29 AAAA C

ATOM 780 C THR A 138 110. ,361 32, ,591 -6. ,006 1. ,00 43. ,57 AAAA C

ATOM 781 O THR A 138 111. .435 33. .077 -6, ,362 1. ,00 43. ,57 AAAA O

ATOM 782 N VAL A 139 109. ,890 32. ,690 -4. ,766 1. 00 34. ,84 AAAA N

ATOM 783 CA VAL A 139 110. ,630 33. ,378 -3, ,724 1. 00 34. ,84 AAAA C

ATOM 784 CB VAL A 139 109. .972 33. .158 -2, .357 1, ,00 32, .40 AAAA C

ATOM 785 CGI VAL A 139 110. .818 33. .757 -1, .262 1. ,00 32. .40 AAAA C

ATOM 786 CG2 VAL A 139 108. .598 33, .782 -2, .354 1. ,00 32, .40 AAAA C

ATOM 787 C VAL A 139 112, ,041 32. ,816 -3. .726 1. ,00 34, ,84 AAAA C

ATOM 788 O VAL A 139 113, .010 33. ,525 -3. ,464 1. ,00 34. .84 AAAA O

ATOM 789 N TYR A 140 112, .156 31. .537 -4, ,056 1. .00 43. .98 AAAA N

ATOM 790 CA TYR A 140 113, .464 30, .913 -4, .109 1. .00 43, .98 AAAA C

ATOM 791 CB TYR A 140 113, .348 29. .428 -4, ,461 1. .00 44, .31 AAAA C

ATOM 792 CG TYR A 140 114, . 699 28. .774 -4. .612 1, .00 44. .31 AAAA C

ATOM 793 CD1 TYR A 140 115, .521 28, .578 -3, .504 1. .00 44, .31 AAAA C

ATOM 794 CE1 TYR A 140 116, .805 28, .095 -3, .644 1, .00 44 .31 AAAA C

ATOM 795 CD2 TYR A 140 115, .201 28, .453 -5, .869 1. .00 44, .31 AAAA C

ATOM 796 CE2 TYR A 140 116 .487 27, .971 -6, .021 1, .00 44 .31 AAAA C

ATOM 797 CZ TYR A 140 117. .288 27. .799 -4, .901 1, .00 44, .31 AAAA C

ATOM 798 OH TYR A 140 118 .595 27 .385 -5, .024 1, .00 44 .31 AAAA O

ATOM 799 C TYR A 140 114 .350 31 .618 -5 .141 1, .00 43 .98 AAAA C

ATOM 800 O TYR A 140 115 .481 31 .983 -4, .838 1, .00 43 .98 AAAA O

ATOM 801 N ARG A 141 113 .831 31, .809 -6, .353 1, .00 50 .34 AAAA N

ATOM 802 CA ARG A 141 114 .588 32 .470 -7 .417 1, .00 50 .34 AAAA C

ATOM 803 CB ARG A 141 113 .816 32 .425 -8 .747 1 .00 96 .45 AAAA C

ATOM 804 CG ARG A 141 113 .564 31 .022 -9 .302 1, .00 96 .45 AAAA C

ATOM 805 CD ARG A 141 113 .322 31 .052 -10 .817 1 .00 96 .45 AAAA C

ATOM 806 NE ARG A 141 112 .919 29 .755 -11 .369 1 .00 96 .45 AAAA N

ATOM 807 CZ ARG A 141 113 .598 28 .616 -11 .220 1 .00 96 .45 AAAA C

ATOM 808 NHl ARG A 141 114 .736 28 .588 -10 .528 1 .00 96 .45 AAAA N

ATOM 809 NH2 ARG A 141 113 .133 27 .491 -11 .757 1 .00 96 .45 AAAA N

ATOM 810 C ARG A 141 114 .939 33 .928 -7 .095 1 .00 50 .34 AAAA C

ATOM 811 O ARG A 141 116 .049 34 .388 -7 .371 1 .00 50 .34 AAAA O

ATOM 812 N VAL A 142 113 .994 34 .660 -6 .527 1 .00 36 .64 AAAA N

ATOM 813 CA VAL A 142 114 .246 36 .045 -6 .184 1 .00 36 .64 AAAA C

ATOM 814 CB VAL A 142 112 .990 36 .708 -5 .621 1 .00 34 .06 AAAA C

ATOM 815 CGI VAL A 142 113 .348 38 .032 -4 .975 1 .00 34 .06 AAAA C ATOM 816 CG2 VAL A 142 111.984 36.906 -6.724 1.00 34.06 AAAA C

ATOM 817 C VAL A 142 115. ,341 36. ,103 -5. 129 1. 00 36. 64 AAAA C

ATOM 818 O VAL A 142 116. 313 36. 861 -5. 256 1. 00 36. 64 AAAA O

ATOM 819 N ALA A 143 115. ,173 35. ,294 -4. ,084 1. 00 42. ,13 AAAA N

ATOM 820 CA ALA A 143 116. 137 35. 248 -2. 992 1. 00 42. 13 AAAA C

ATOM 821 CB ALA A 143 115. ,715 34. ,215 -1, .963 1. ,00 43, ,47 AAAA C

ATOM 822 C ALA A 143 117. .533 34. 933 -3. 513 1. 00 42. 13 AAAA C

ATOM 823 O ALA A 143 118. ,495 35. ,608 -3, .165 1, ,00 42. ,13 AAAA O

ATOM 824 N ARG A 144 117. ,638 33. ,912 -4. ,354 1. 00 61. ,28 AAAA N

ATOM 825 CA ARG A 144 118. ,932 33. .526 -4. .908 1. ,00 61, .28 AAAA C

ATOM 826 CB ARG A 144 118, ,807 32. ,265 -5. ,763 1. ,00 51, ,87 AAAA C

ATOM 827 CG ARG A 144 120. ,142 31. ,690 -6. ,203 1. ,00 51. ,87 AAAA C

ATOM 828 CD ARG A 144 119. ,954 30. ,501 -7. ,150 1. ,00 51. ,87 AAAA C

ATOM 829 NE ARG A 144 119, ,164 30. ,854 -8. ,331 1. ,00 51, ,87 AAAA N

ATOM 830 CZ ARG A 144 118. ,775 29. ,991 -9. ,269 1, ,00 51, ,87 AAAA C

ATOM 831 NHl ARG A 144 119. ,095 28. ,706 -9. ,179 1. ,00 51. ,87 AAAA N

ATOM 832 NH2 ARG A 144 118, ,056 30, .416 -10, ,302 1. ,00 51. .87 AAAA N

ATOM 833 C ARG A 144 119. .494 34, ,658 -5, ,752 1. ,00 61. ,28 AAAA C

ATOM 834 O ARG A 144 120. .708 34. .801 -5. .879 1, ,00 61. .28 AAAA O

ATOM 835 N HIS A 145 118. ,609 35. .463 -6. .327 1, ,00 54, .12 AAAA N

ATOM 836 CA HIS A 145 119, .042 36, .579 -7. .153 1, .00 54. .12 AAAA C

ATOM 837 CB HIS A 145 117. .844 37. .296 -7. .786 1, .00 74. .76 AAAA C

ATOM 838 CG HIS A 145 118, .230 38, .344 -8, .783 1. .00 74, .76 AAAA C

ATOM 839 CD2 HIS A 145 118. .320 39. .691 -8. ,674 1. ,00 74. .76 AAAA C

ATOM 840 ND1 HIS A 145 118 .638 38, .035 -10 .064 1, .00 74, .76 AAAA N

ATOM 841 CEl HIS A 145 118, .963 39. .148 -10, . 699 1. .00 74. .76 AAAA C

ATOM 842 NE2 HIS A 145 118 .779 40 .167 -9 .878 1 .00 74 .76 AAAA N

ATOM 843 C HIS A 145 119 .810 37 .566 -6 .295 1, .00 54 .12 AAAA C

ATOM 844 O HIS A 145 120 .976 37 .849 -6 .560 1, .00 54, .12 AAAA O

ATOM 845 N TYR A 146 119 .153 38 .087 -5 .263 1, .00 51 .81 AAAA N

ATOM 846 CA TYR A 146 119 .798 39 .044 -4 .378 1, .00 51 .81 AAAA C

ATOM 847 CB TYR A 146 118 .832 39 .513 -3 .280 1 .00 53 .94 AAAA C

ATOM 848 CG TYR A 146 117 .761 40 .442 -3 .803 1 .00 53 .94 AAAA C

ATOM 849 CD1 TYR A 146 116 .711 39 .950 -4 .570 1 .00 53 .94 AAAA C

ATOM 850 CEl TYR A 146 115 .757 40 .800 -5 .127 1 .00 53 .94 AAAA C

ATOM 851 CD2 TYR A 146 117 .833 41 .822 -3 .594 1 .00 53 .94 AAAA C

ATOM 852 CE2 TYR A 146 116 .880 42 .687 -4 .149 1 .00 53 .94 AAAA C

ATOM 853 CZ TYR A 146 115 .845 42 .164 -4 .917 1 .00 53 .94 AAAA C

ATOM 854 OH TYR A 146 114 .898 42 .986 -5 .493 1 .00 53 .94 AAAA O

ATOM 855 C TYR A 146 121 .036 38 .434 -3 .760 1 .00 51 .81 AAAA C

ATOM 856 O TYR A 146 121 .992 39 .141 -3 .428 1 .00 51 .81 AAAA O

ATOM 857 N SER A 147 121 .023 37 .113 -3 .634 1 .00 47 .85 AAAA N ATOM 858 CA SER A 147 122.,136 36.,402 -3..040 1.,00 47.,85 AAAA C

ATOM 859 CB SER A 147 121. 752 34. ,951 -2. 767 1. 00 42. ,29 AAAA C

ATOM 860 OG SER A 147 122, ,715 34, .320 -1. ,940 1. ,00 42. .29 AAAA O

ATOM 861 C SER A 147 123. 401 36. ,461 -3. 888 1. 00 47. ,85 AAAA C

ATOM 862 O SER A 147 124. ,421 36. ,963 -3. ,421 1. ,00 47. ,85 AAAA O

ATOM 863 N ARG A 148 123. ,358 35, ,967 -5. ,127 1. 00 68, ,80 AAAA N

ATOM 864 CA ARG A 148 124. 564 35. ,996 -5. 954 1. 00 68. ,80 AAAA C

ATOM 865 CB ARG A 148 124. ,501 34. ,966 -7. .101 1. ,00 70. ,18 AAAA C

ATOM 866 CG ARG A 148 123. 142 34. ,672 -7. 722 1. 00 70. ,18 AAAA C

ATOM 867 CD ARG A 148 123. ,112 33, ,281 -8. ,398 1. ,00 70. .18 AAAA C

ATOM 868 NE ARG A 148 122. ,216 33. ,225 -9. ,559 1. ,00 70. ,18 AAAA N

ATOM 869 CZ ARG A 148 121. ,839 32, .104 -10, ,182 1. ,00 70, .18 AAAA C

ATOM 870 NHl ARG A 148 122. ,271 30. ,916 -9. ,761 1. ,00 70, .18 AAAA N

ATOM 871 NH2 ARG A 148 121. .033 32, .167 -11. .243 1, .00 70, .18 AAAA N

ATOM 872 C ARG A 148 124. .883 37. .388 -6, ,468 1. ,00 68, .80 AAAA C

ATOM 873 O ARG A 148 125, .662 37. ,582 -7. .401 1, ,00 68. .80 AAAA O

ATOM 874 N ALA A 149 124. .268 38. .375 -5. .827 1, .00 51. .70 AAAA N

ATOM 875 CA ALA A 149 124. .494 39, .802 -6. .138 1. .00 51, .70 AAAA C

ATOM 876 CB ALA A 149 123. .171 40, .510 -6. .387 1. .00 42, .18 AAAA C

ATOM 877 C ALA A 149 125. .150 40, .321 -4, .866 1. .00 51. .70 AAAA C

ATOM 878 O ALA A 149 125. .556 41, .456 -4. .792 1. .00 51, .70 AAAA O

ATOM 879 N LYS A 150 125. ,192 39, .457 -3, .850 1, .00 73, .79 AAAA N

ATOM 880 CA LYS A 150 125, .784 39, .761 -2, ,552 1, .00 73, .79 AAAA C

ATOM 881 CB LYS A 150 127, .249 40. .122 -2. ,751 1. .00 77. .43 AAAA C

ATOM 882 CG LYS A 150 128, ,104 38 .956 -3, .211 1, .00 77 .43 AAAA C

ATOM 883 CD LYS A 150 129, .578 39, .176 -3, .000 1, .00 77, .43 AAAA C

ATOM 884 CE LYS A 150 130, .414 38 .141 -3, .743 1, .00 77 .43 AAAA C

ATOM 885 NZ LYS A 150 131, .893 38 .409 -3, .607 1, .00 77 .43 AAAA N

ATOM 886 C LYS A 150 125 .062 40 .809 -1 .732 1, .00 73 .79 AAAA C

ATOM 887 O LYS A 150 125 .684 41 .492 -0 .934 1, .00 73 .79 AAAA O

ATOM 888 N GLN A 151 123. .749 40 .932 -1 . 929 1, .00 55 .14 AAAA N

ATOM 889 CA GLN A 151 122 .961 41 .905 -1 .148 1 .00 55 .14 AAAA C

ATOM 890 CB GLN A 151 122 .724 43 .178 -1 .945 1 .00 76 .01 AAAA C

ATOM 891 CG GLN A 151 122 .269 42 .931 -3 .348 1 .00 76 .01 AAAA C

ATOM 892 CD GLN A 151 122 .284 44 .201 -4 .155 1, .00 76 .01 AAAA C

ATOM 893 OEl GLN A 151 123 .300 44 .896 -4 .219 1 .00 76 .01 AAAA O

ATOM 894 NE2 GLN A 151 121 .157 44 .516 -4 .781 1 .00 76 .01 AAAA N

ATOM 895 C GLN A 151 121 .620 41 .317 -0 .737 1 .00 55 .14 AAAA C

ATOM 896 O GLN A 151 121 .123 40 .397 -1 .373 1 .00 55 .14 AAAA O

ATOM 897 N THR A 152 121 .021 41 .864 0 .315 1 .00 57 .27 AAAA N

ATOM 898 CA THR A 152 119 .753 41 .336 0 .811 1 .00 57 .27 AAAA C

ATOM 899 CB THR A 152 119 .624 41 .481 2 .365 1 .00 62 .61 AAAA C .f fc fc fc fc fc fc fc fc fc fc fc fc c fc f fc c fc fc fc

H H H H H H H H H H H H, f

H H H, H, H, c

H H - H_! H, fc f

H H H, > H, o H ^ i H H H H H H H H , H- HI HI ! H_-I ^ HI >- n o o C) O O O O Ω O O o o () (1 O O o O o o <) O O O o O o O O () O O O o o d d o

3 3 s s 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 s 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3

o so vo o ID ID VD o vo VD VD VD o vo VD VD vo vo vo vo VD φ. Φ- ω Oj co LO to to to to t to to t t H o σ o o o o o o 1X1 00 n φ. to H o vo 00 Lπ o vo LΠ to o vo π ) to

fc fc is* fc fc c > > > > > > > > r-¹ I-¹ H H H¹ H¹ H H¹ H¹ I-¹ ι-> H

LΠ in in ( l in LΠ LΠ LΠ LΠ LΠ LΠ LΠ LΠ LΠ Π LΠ LΠ LΠ LΠ LΠ Π σι LΠ LΠ Lπ LΠ Π LΠ LΠ LΠ LΠ in LΠ Lπ ι -J CΛ CΛ Λ LΠ LΠ LΠ LΠ LΠ LO O LO LO O to to

H (-¹ I-¹ H H o H o o o o o o o H t-¹ H I-¹ I-¹ fc co o o o 1 00 vo I-¹ to LO co LO φ. LO 00 m oo VD

CO

LΠ o LΠ co co cn to O LΠ LO LΠ o vo LΠ CO Lπ m in c CΛ o o to φ. OJ VD to to o r. Φ- 00 o H i in o LΠ o CO to oo o CO Lπ 1 φ. to LΠ 1 vo cπ σ t rf=. φ- φ- φ- Φ. LO Φ- Φ- Φ- Φ- Φ- φ-

CO *• LO to DO DO 0J l CΛ CΛ σi LΠ LO φ. LΠ φ- φ. LΠ 00 o o H H o o LO φ. DO Φ- 00 co to LΠ cn LΠ LΠ φ- o to o o o to CΛ co LΠ φ. LΠ in in o w vo o vo rf-^, o LΠ o o 00 -J LΠ o φ- to w -j vo to

1 1 I to DO o σ H I-¹ o o H DO DO φ. LO LΠ CΛ in J DO o o o H O o o o o o o o to to o o to σ LΠ CΛ CΛ DO 00 m LΠ o to o DO LΠ vo LΠ vo CO 00 LΠ LΠ (-> φ.

VD o 03 Lπ CO o LO LΠ o o VD n DO LΠ o o cπ φ. n -> H H H I-¹ H H H¹ H M H¹ H H H H H I-¹ H H H H H H H H H¹ H H¹ H H H H I-¹ o o O o o o o o o o O O o O σ o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o O O o O o o o o o o o o o o o o o σ o o o o o o

CΛ n co φ. φ. LO φ. φ- φ- φ- φ. φ. φ- φ. Φ- φ. in in cn

LΠ LΠ LΠ in o φ. Φ- cn cn φ. LΠ CO co LΠ co m LO oo to

-o. -J CO CO ω CΛ en CO CO LO cn 1 vo CΛ CΛ

LO L0 LO σ. o CO CO to vo vo vo to cn CΛ φ. φ. cn

Ω Ω Ω O Ω Ω Ω !2! O Ω Ω Ω O Ω Ω -ei O Ω O Ω Ω Ω l2i d Ω Ω Ω Ω Ω --i θ Ω Ω Ω Ω Ω Ω S; θ Ω Ω O

ATOM 942 CZ TYR A 157 109.,645 44..606 -4.,418 1.,00 65..73 AAAA C

ATOM 943 OH TYR A 157 109. ,429 45. ,457 -5, ,486 1. 00 65. ,73 AAAA O

ATOM 944 C TYR A 157 109. ,257 41. ,148 1, ,099 1. 00 30, ,84 AAAA C

ATOM 945 O TYR A 157 108, .411 40, ,266 0, ,994 1. ,00 30, ,84 AAAA O

ATOM 946 N VAL A 158 110. .158 41, ,184 2. ,079 1. ,00 32, ,71 AAAA N

ATOM 947 CA VAL A 158 110. .203 40. ,157 3. ,107 1. , 00 32, ,71 AAAA C

ATOM 948 CB VAL A 158 111. ,305 40. ,417 4, ,150 1. ,00 24. ,74 AAAA C

ATOM 949 CGI VAL A 158 Ill, ,157 39. 439 5. ,305 1. 00 24. ,74 AAAA C

ATOM 950 CG2 VAL A 158 112. ,664 40. .287 3. .523 1. ,00 24, .74 AAAA C

ATOM 951 C VAL A 158 108. .885 40. .194 3. .845 1. .00 32. ,71 AAAA C

ATOM 952 O VAL A 158 108, .306 39. .153 4, .185 1. .00 32, .71 AAAA O

ATOM 953 N LYS A 159 108, .409 41. .403 4. ,101 1. ,00 35. .09 AAAA N

ATOM 954 CA LYS A 159 107. .157 41. .552 4. .824 1. ,00 35, ,09 AAAA C

ATOM 955 CB LYS A 159 106, .938 43. .015 5. .231 1, ,00 46. ,87 AAAA C

ATOM 956 CG LYS A 159 107. .910 43. .557 6. .285 1. ,00 46. .87 AAAA C

ATOM 957 CD LYS A 159 107. .539 44. ,989 6, .648 1. ,00 46. ,87 AAAA C

ATOM 958 CE LYS A 159 108. .515 45. .626 7, .614 1. ,00 46. .87 AAAA C

ATOM 959 NZ LYS A 159 107. .933 46. ,868 8. .223 1. ,00 46. .87 AAAA N

ATOM 960 C LYS A 159 105. .974 41. ,072 4, .002 1, .00 35. .09 AAAA C

ATOM 961 O LYS A 159 105, .105 40. .361 4, .499 1. .00 35. .09 AAAA O

ATOM 962 N LEU A 160 105, .967 41, ,453 2, .731 1. .00 37, ,80 AAAA N

ATOM 963 CA LEU A 160 104, .892 41. .111 1 .822 1. .00 37, .80 AAAA C

ATOM 964 CB LEU A 160 105, .112 41. .841 0, .507 1. .00 60. .92 AAAA C

ATOM 965 CG LEU A 160 103, .838 42. .340 -0, .167 1. .00 60. .92 AAAA C

ATOM 966 GDI LEU A 160 102, .941 43, .048 0 .853 1. .00 60, .92 AAAA C

ATOM 967 CD2 LEU A 160 104, .221 43. .279 -1, .294 1, .00 60, .92 AAAA C

ATOM 968 C LEU A 160 104, .745 39, .620 1, .572 1. ,00 37, .80 AAAA C

ATOM 969 O LEU A 160 103 .636 39, ,070 1. .625 1, .00 37, ,80 AAAA O

ATOM 970 N TYR A 161 105 .869 38, .970 1 .303 1, .00 32, .53 AAAA N

ATOM 971 CA TYR A 161 105 .874 37 .548 1 .033 1, .00 32 .53 AAAA C

ATOM 972 CB TYR A 161 107, .254 37, .118 0, .547 1. , 00 37. .83 AAAA C

ATOM 973 CG TYR A 161 107. .694 37 .757 -0 .748 1, .00 37 .83 AAAA C

ATOM 974 CD1 TYR A 161 109 .018 37, .639 -1 .184 1, .00 37 .83 AAAA C

ATOM 975 CEl TYR A 161 109 .438 38 .234 -2 .363 1 .00 37 .83 AAAA C

ATOM 976 CD2 TYR A 161 106 .799 38 .487 -1 .535 1 .00 37 .83 AAAA C

ATOM 977 CE2 TYR A 161 107 .209 39 .085 -2 .724 1 .00 37 .83 AAAA C

ATOM 978 CZ TYR A 161 108 .533 38 .954 -3 .130 1 .00 37 .83 AAAA C

ATOM 979 OH TYR A 161 108 .955 39 .533 -4 .304 1, .00 37 .83 AAAA O

ATOM 980 C TYR A 161 105 .493 36 .751 2 .276 1. .00 32 .53 AAAA C

ATOM 981 O TYR A 161 104 .564 35 .938 2 .228 1 .00 32 .53 AAAA O

ATOM 982 N MET A 162 106 .203 36 .976 3 .384 1, .00 30 .83 AAAA N

ATOM 983 CA MET A 162 105 .913 36 .250 4 .614 1 .00 30 .83 AAAA C

H ι-> H I-¹ l-> H o o o o o o o σ o o vo vo vo vo vo vo t to to to t H o o o o o vo vo vo vo vo oo oo o in φ- o vo Φ- H σ in -J cn in co cn in

Ω Ω Ω Ω Ω O Ω Ω Ω Ω Ω Ω

CO α α Ω td 9 fe! o Ω Ω Ω Ω Ω α α Ω o Ω Ω Ω t CO CO o Ω t

H 9 a O Ω Ω Ω Ω SS d Ω Ω

D Ω to 9 SS o Ω ffi N CO O ω fc t to α Ω ir¹ tr¹ t^"1 O Ω Ω O Ώ Ω Ω HI HI Hi HI Hi HI HI Hi Hi Hi Hi HI 3 3 3 2 3 ffi X Ui X X W CO CO O O CO CO to CO tr¹ tr* tr¹ tr¹ Ki κl Ki Ki K O CO CO O CO C CO CO CO CO O to CO α α α α 3 SS 6 21 fe! S 13 to to to to to to to to to to to t H H HI HI H fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc ι-> H cn cn n en cn cn cn cn σ. cn cn cn cn m in in Φ- Φ- co co to to

ι-> (-¹ H¹ I-¹ ι-> o o o o o o o o o σ o o o o o σ o o o o o o o o

LΠ to ω t I-¹ o in φ- φ- Φ- t o to o o o n o o to to c o vo cn o o o LΠ O o o φ. n vo in σ LΠ vo -J in in o co H H t in H o H vo to φ- in to to e in o H H o H o to H in o cn φ- to in φ. Φ ω co co co co oo co φ. co oo to I-¹ o φ- φ- φ. vo co cn en n o o o vo σ o -o in cn φ- φ. o t H in o o o o vo in -o in m in in t m oo c

Φ- Φ- cn vo in H m ^1 to cn n LΠ Φ- to to t to H DO φ. LΠ n in in LΠ in LΠ LΠ i o cn φ- oo oo φ- o o vo o t to o o in φ- to o M o t to φ. Π Φ- φ. o Π o vo to vo o φ- to m oo H o cn Φ- o o

H H H H H H H M I-¹ I-¹ H H H H H¹ H H H M H M H M H H H M H o o o o o o o o o o o o o o σ o o o o o o o o o o o o σ o o σ o o o o o o o o σ o o o o o o o o o o o o o σ o o o o o o σ o o o o o o o o o o o co co φ. to co co co t to t to to to H to oo o o φ. o o CΛ cn -o o σ to in in in in to to H H to to t to co co φ- cn cn n OJ o o o t to o o o o H H H H H¹ >-> o o o o

Ω O O Ω Ω Ω SS d Ω Ω Ω Ω Ω Ω !z; d Ω SS d Ω Ω Ω Ω --i d Ω d Ω Ω Ω Ω Ω Ω Ω Ω S5 d Ω Ω Crj Ω

fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc ι-3 HI ⁽-- HI HI HI H HI H HI HI HI HI HI HI ι-3 H HI HI HI H H H d d o d d o d d d O Q δ δ d O O O O O d d d d d δ δ

3 3 2 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2

I-¹ H (-> o VD CO VD VO VD O vo VD o vo VD vo o O o O O VD vo vo VO VD vo VO vo VD o VD vo vo vo vo VD VD VD vo vo o vo o o

LΠ H t VO to LO OJ φ- oo Φ. in in CΛ to l-> I-¹ VO 03 03 cn 1 vo CO CO CΛ -o DO φ. co φ. cn cn VD 00 vo in φ. H¹

Φ- LΠ vo O 0J Φ- φ. in 00 cn CΛ CO o VD φ- co VD CΛ LΠ vo VD -0 o DO co o n φ. oo φ. φ. CΛ o -J Π DO

LO LΠ H DO cn CΛ to LΠ DO CΛ co in j o LO CO I-¹ o CO H DO 00 DO o 00 o DO -J cn LO 00 vo VD 00 vo I-¹ CΛ VD LO CΛ Φ- to o vo VD Φ. m -J in DO 1 DO -J in O vo CΛ vo φ. φ- φ. o in n vo H vo φ. cn to to φ- φ- vo -0 CΛ to DO to DO DO LO to DO to t co co to to to to to to DO to DO to LO 0J 0J LO LO 0J CO LO LO LO 0J LO LO 00 LO LO co 0J CO

CO 00 vo VD VD o vo VD CO vo I-¹ o o 00 00 -0 CO VD CO D 00 vo o o I-¹ DO to DO CO l -J CΛ LΠ φ- to OJ 0J DO to Lπ VD LΠ o Φ. vo VD CΛ CΛ DO CD VD VD CΛ DO VD VD vo 00 LO -J o to DO cn o n M o DO to o VD 0J H 10 CO

03 H cn VD -a 0J DO Φ- Φ- oo to o φ- o φ. -0 -0 to in H¹ n DO vo 0J CΛ o LΠ VD VD to in VD φ. LΠ CΛ φ. o O to LO Λ Φ- Lπ Φ- t -0 DO vo VD 00 0J -0 O o φ- H o φ. to LO o n LΠ H øϊ co in LO φ- OJ LΠ LΠ

H H to LO to 0J LΠ LΠ _^J -J CO CO -J 1 CΛ CΛ Lπ CΛ CΛ in Φ- LO LO to H to LO φ- φ- to H t CO LO φ. φ. in in -o cn vo vo

O CO CO H VD ^J VD VD DO J o H o VD LΠ co 00 -J 03 to CO in CO in VD cn LΠ -o I-¹ φ. o LO Φ- Φ-

DO DO cn in O 00 vo VD O VO cn -J LΠ H CO φ. I-¹ n LO o co LO DO in CΛ Lπ o oo LO o VD o -o φ. -J o co o CΛ CO -J to φ. LO o LO O φ. DO 03 CO o φ. VD LΠ in H DO Φ- H¹ cn *> DO o -J φ. CO LΠ CO LΠ H LΠ LO to LΠ DO

H H t-> (-^» F> H I-¹ H H¹ H H H H H M ι-> H J-¹ H H H H H H H H H H (-> h-> H¹ H H H¹ H H * H I-¹

O O o O O o o o O O o o o o o o o o O O o o o o o o o o o o o o o o o o o o o o o o O O o O o o o o o o o o o o o o o o O O o o o o o o o o o o o o o o o o o o o o o o φ. φ. iJ-. φ. φ- Φ- LO Lo LO LO 0J co LO LO LO to DO DO to co LO t DO φ- φ. to DO φ- φ. φ- φ. φ- φ. φ. φ. φ- φ. φ- φ. φ- oo LO OJ CO ω LO OJ OJ -0 φ. φ. t-¹ φ- φ. φ. φ- CΛ Λ CΛ CΛ φ- φ. 00 oo o o oo 00 o o φ- φ. φ- φ. φ- φ. φ. o o to DO vo VD VD VD vo VD I-¹ in m H in Lπ CΛ en CO CO CO LO cn CΛ o o o o o o -0 φ- φ. φ- φ. φ- φ- φ. 1 in in in in vo VO o VD vo VD CO 00 CO l -J CO CO CΛ CΛ CΛ cn CO 00 in in l in in LΠ LΠ cn CΛ n cn cn n in in co LO CΛ CΛ

Ω Ω Ω Ω Ω Ω Ω SS d Ω Ω Ω S5 d Ω Ω O Ω Ω Ω l2! d Ω d Ω Ω ≥! d Ω SS --i Ω SS π Ω Ω Ω SS d Ω Ω Ω

ATOM 1068 CZ TYR A 171 90.,191 28.,717 1.,305 1.,00 43.,99 AAAA C

ATOM 1069 OH TYR A 171 89. ,132 28. ,324 0. .527 1. ,00 43. ,99 AAAA O

ATOM 1070 C TYR A 171 93, ,464 27. .905 5, .083 1. .00 37, ,18 AAAA C

ATOM 1071 O TYR A 171 92, .424 27, .280 5, .232 1. .00 37, .18 AAAA O

ATOM 1072 N ILE A 172 94. .610 27. .283 4, .834 1. ,00 32. .89 AAAA N

ATOM 1073 CA ILE A 172 94. .567 25, .827 4, .743 1. .00 32. .89 AAAA C

ATOM 1074 CB ILE A 172 95. .698 25, .232 3, .829 1. .00 34. .96 AAAA C

ATOM 1075 CG2 ILE A 172 95. .629 25. .891 2. .469 1. .00 34, .96 AAAA C

ATOM 1076 CGI ILE A 172 97. .097 25. .394 4. .428 1. .00 34, .96 AAAA C

ATOM 1077 CD1 ILE A 172 98. .170 24. .598 3, ,687 1. .00 34. .96 AAAA C

ATOM 1078 C ILE A 172 94. .539 25. .120 6, .100 1. .00 32, .89 AAAA C

ATOM 1079 O ILE A 172 94, .059 23, ,993 6. .192 1. ,00 32. .89 AAAA O

ATOM 1080 N HIS A 173 95. .054 25, .765 7. ,149 1. ,00 41. .78 AAAA N

ATOM 1081 CA HIS A 173 95. .013 25, .171 8. ,490 1. ,00 41. .78 AAAA C

ATOM 1082 CB HIS A 173 95. .905 25. ,940 9. .484 1. .00 28. .44 AAAA C

ATOM 1083 CG HIS A 173 97. .368 25. .672 9. .304 1. .00 28. .44 AAAA C

ATOM 1084 CD2 HIS A 173 98. .446 26. .028 10. .043 1. .00 28. .44 AAAA C

ATOM 1085 ND1 HIS A 173 97, .864 25. .029 8, .192 1. .00 28. .44 AAAA N

ATOM 1086 CEl HIS A 173 99. .183 25. .008 8. .244 1. ,00 28. ,44 AAAA C

ATOM 1087 NE2 HIS A 173 99. .562 25. .609 9. .356 1. .00 28. .44 AAAA N

ATOM 1088 C HIS A 173 93. .553 25. .189 8, .964 1. .00 41. .78 AAAA C

ATOM 1089 O HIS A 173 93. .132 24. .334 9, .735 1. ,00 41. .78 AAAA O

ATOM 1090 N SER A 174 92. .764 26. .142 8. .478 1. ,00 39, .42 AAAA N

ATOM 1091 CA SER A 174 91, .374 26. .207 8, .903 1. ,00 39, .42 AAAA C

ATOM 1092 CB SER A 174 90, .707 27, .507 8, .428 1. .00 40, .45 AAAA C

ATOM 1093 OG SER A 174 90, .819 27. .659 7, .031 1. .00 40, .45 AAAA O

ATOM 1094 C SER A 174 90, .574 24, .986 8, .455 1, .00 39 .42 AAAA C

ATOM 1095 O SER A 174 89, .534 24, . 699 9, .023 1. .00 39 .42 AAAA O

ATOM 1096 N PHE A 175 91 .054 24, . 266 7, .443 1, ,00 37 .43 AAAA N

ATOM 1097 CA PHE A 175 90 . .364 23, . 054 6, . 990 1. . 00 37, .43 AAAA C

ATOM 1098 CB PHE A 175 90, .436 22. .893 5, .479 1. .00 32, .95 AAAA C

ATOM 1099 CG PHE A 175 89 .674 23, .924 4, .720 1. .00 32 .95 AAAA C

ATOM 1100 CD1 PHE A 175 90 .340 24, ,963 4, .076 1. .00 3 .95 AAAA C

ATOM 1101 CD2 PHE A 175 88 .293 23, .838 4. .609 1, .00 32 .95 AAAA C

ATOM 1102 CEl PHE A 175 89 .636 25, .895 3 .329 1, .00 32 .95 AAAA C

ATOM 1103 CE2 PHE A 175 87 .580 24 .765 3 .866 1, .00 32 .95 AAAA C

ATOM 1104 CZ PHE A 175 88 .252 25 .796 3 .222 1, .00 32 .95 AAAA C

ATOM 1105 C PHE A 175 91 .027 21 .837 7 .612 1, .00 37 .43 AAAA C

ATOM 1106 O PHE A 175 90 .637 20 .708 7 .344 1 .00 37 .43 AAAA O

ATOM 1107 N GLY A 176 92 .033 22 .082 8 .441 1 .00 38 .81 AAAA N

ATOM 1108 CA GLY A 176 92 .760 21 .002 9 .063 1 .00 38 .81 AAAA C

ATOM 1109 C GLY A 176 93 .832 20 .498 8 .109 1 .00 38 .81 AAAA C ATOM 1110 O GLY A 176 94,,481 19.,495 8.,380 1.00 38.,81 AAAA O

ATOM llll N ILE A 177 94, ,034 21. ,201 6, ,997 1. 00 31. ,64 AAAA N

ATOM 1112 CA ILE A 177 95, ,020 20. ,804 5, ,996 1. 00 31. ,64 AAAA C

ATOM 1113 CB ILE A 177 94, .622 21, ,323 4, ,606 1. ,00 43. ,42 AAAA C

ATOM 1114 CG2 ILE A 177 95. ,750 21. ,074 3, ,608 1. 00 43. 42 AAAA C

ATOM 1115 CGI ILE A 177 93. ,328 20. ,646 4, ,159 1. 00 43. ,42 AAAA C

ATOM 1116 CD1 ILE A 177 92. ,785 21, ,203 2. ,883 1. 00 43. ,42 AAAA C

ATOM 1117 C ILE A 177 96. ,424 21, ,295 6. ,316 1. ,00 31. ,64 AAAA C

ATOM 1118 O ILE A 177 96. ,625 22, .432 6. ,716 1. ,00 31. ,64 AAAA O

ATOM 1119 N CYS A 178 97. .403 20, .423 6. .128 1. ,00 38. ,08 AAAA N

ATOM 1120 CA CYS A 178 98. .785 20, .767 6, .425 1, ,00 38. .08 AAAA C

ATOM 1121 CB CYS A 178 99. 301 19. ,905 7. ,579 1. 00 39. 23 AAAA C

ATOM 1122 SG CYS A 178 100. ,944 20. ,368 8. ,204 1. 00 39. 23 AAAA S

ATOM 1123 C CYS A 178 99. ,609 20. ,523 5. .182 1. 00 38. ,08 AAAA C

ATOM 1124 O CYS A 178 99 . ,599 19. ,431 4. ,629 1. 00 38. ,08 AAAA O

ATOM 1125 N HIS A 179 100, ,322 21. .549 4, ,746 1. ,00 33, ,63 AAAA N

ATOM 1126 CA HIS A 179 101, ,146 21. ,459 3, ,551 1. ,00 33, ,63 AAAA C

ATOM 1127 CB HIS A 179 101, .725 22. ,830 3, .251 1. ,00 27, .40 AAAA C

ATOM 1128 CG HIS A 179 102. ,272 22. .960 1. .871 1. ,00 27. ,40 AAAA C

ATOM 1129 CD2 HIS A 179 101. .688 23. .366 0. .720 1, ,00 27. ,40 AAAA C

ATOM 1130 NDl HIS A 179 103. .577 22, .648 1. ,559 1. .00 27. ,40 AAAA N

ATOM 1131 CEl HIS A 179 103. .773 22, .862 0, .270 1. .00 27. ,40 AAAA C

ATOM 1132 NE2 HIS A 179 102. .642 23, .298 -0, .261 1. .00 27. .40 AAAA N

ATOM 1133 C HIS A 179 102, .275 20, .428 3, .655 1. .00 33, .63 AAAA C

ATOM 1134 O HIS A 179 102, .432 19, .567 2, .783 1. .00 33, .63 AAAA O

ATOM 1135 N ARG A 180 103 .070 20 .544 4 .715 1, .00 32, .83 AAAA N

ATOM 1136 CA ARG A 180 104 .175 19 .629 4 .971 1, .00 32, .83 AAAA C

ATOM 1137 CB ARG A 180 103, .663 18, .191 4, .945 1, ,00 51, .08 AAAA C

ATOM 1138 CG ARG A 180 102, .522 17 .951 5 .901 1, .00 51, .08 AAAA C

ATOM 1139 CD ARG A 180 101 .829 16 .672 5 .547 1, .00 51, .08 AAAA C

ATOM 1140 NE ARG A 180 102 .518 15 .515 6 .090 1, .00 51 .08 AAAA N

ATOM 1141 CZ ARG A 180 102 .364 14 .276 5 .639 1, .00 51 .08 AAAA C

ATOM 1142 NHl ARG A 180 101 .555 14 .025 4 .616 1 .00 51 .08 AAAA N

ATOM 1143 NH2 ARG A 180 102 .991 13 .283 6 .246 1 .00 51 .08 AAAA N

ATOM 1144 C ARG A 180 105 .412 19 .751 4 .072 1 .00 32 .83 AAAA C

ATOM 1145 O ARG A 180 106 .366 19 .009 4 .249 1 . 00 32 .83 AAAA O

ATOM 1146 N ASP A 181 105 .404 20 .665 3 .110 1 .00 39 .77 AAAA N

ATOM 1147 CA ASP A 181 106 .586 20 .854 2 .274 1 .00 39 .77 AAAA C

ATOM 1148 CB ASP A 181 106 .510 20 .029 0 .990 1 .00 41 .71 AAAA C

ATOM 1149 CG ASP A 181 107 .846 19 .992 0 .250 1 .00 41 .71 AAAA C

ATOM 1150 ODl ASP A 181 108 .897 20 .161 0 .911 1 .00 41 .71 AAAA O

ATOM 1151 OD2 ASP A 181 107 .855 19 .787 -0 .984 1 .00 41 .71 AAAA O ATOM 1152 C ASP A 181 106.,761 22.,331 1..939 1.,00 39.,77 AAAA C

ATOM 1153 O ASP A 181 106, ,859 22, ,724 0. ,773 1. ,00 39, ,77 AAAA O

ATOM 1154 N ILE A 182 106. ,810 23. .142 2, .988 1. ,00 32. .56 AAAA N

ATOM 1155 CA ILE A 182 106, ,951 24. ,574 2. .848 1, .00 32. .56 AAAA C

ATOM 1156 CB ILE A 182 106, ,216 25, ,270 3. ,979 1. ,00 29. .56 AAAA C

ATOM 1157 CG2 ILE A 182 106, .644 26, .723 4, .094 1, ,00 29, .56 AAAA C

ATOM 1158 CGI ILE A 182 104, .722 25, .147 3, .715 1. .00 29, .56 AAAA C

ATOM 1159 CD1 ILE A 182 103, .879 25, .492 4, .899 1. ,00 29, .56 AAAA C

ATOM 1160 C ILE A 182 108, .401 25. .013 2, .807 1. .00 32. .56 AAAA C

ATOM 1161 O ILE A 182 109 .155 24, .805 3, .754 1, .00 32 .56 AAAA O

ATOM 1162 N LYS A 183 108, .769 25. .624 1, .685 1. .00 33, .12 AAAA N

ATOM 1163 CA LYS A 183 110, .113 26. ,118 1, .435 1. ,00 33. .12 AAAA C

ATOM 1164 CB LYS A 183 111, .010 24. .971 0, .960 1. ,00 37, .23 AAAA C

ATOM 1165 CG LYS A 183 110. .448 24. .171 -0, .202 1, ,00 37. .23 AAAA C

ATOM 1166 CD LYS A 183 Ill, .315 22. ,960 -0, .506 1. ,00 37. .23 AAAA C

ATOM 1167 CE LYS A 183 110. .645 22. .071 -1, .541 1, ,00 37. .23 AAAA C

ATOM 1168 NZ LYS A 183 Ill, .368 20, .783 -1, .746 1, .00 37, .23 AAAA N

ATOM 1169 C LYS A 183 110. .019 27, .204 0, .367 1. .00 33. .12 AAAA C

ATOM 1170 O LYS A 183 108. .976 27. ,395 -0. .234 1. ,00 33. .12 AAAA O

ATOM 1171 N PRO A 184 111. .116 27. .925 0, .115 1. ,00 32, .28 AAAA N

ATOM 1172 CD PRO A 184 112. .473 27. .751 0, .667 1. .00 27. .59 AAAA C

ATOM 1173 CA PRO A 184 Ill, .097 28. .988 -0, .893 1. .00 32, .28 AAAA C

ATOM 1174 CB PRO A 184 112, .557 29. .437 -0, .947 1. .00 27, .59 AAAA C

ATOM 1175 CG PRO A 184 113, .086 29. .090 0. .420 1. .00 27. ,59 AAAA C

ATOM 1176 C PRO A 184 110, .607 28. .516 -2. .253 1. .00 32, ,28 AAAA C

ATOM 1177 O PRO A 184 109, .797 29, .177 -2, .891 1, .00 32, .28 AAAA O

ATOM 1178 N GLN A 185 111, .094 27, .359 -2 .682 1, ,00 35 .40 AAAA N

ATOM 1179 CA GLN A 185 110, .741 26. .810 -3, .980 1. .00 35, .40 AAAA C

ATOM 1180 CB GLN A 185 111, .451 25, .477 -4, .191 1. .00 35, .71 AAAA C

ATOM 1181 CG GLN A 185 112 .964 25. .567 -4 .073 1, .00 35 .71 AAAA C

ATOM 1182 CD GLN A 185 113, .423 25, .578 -2, .626 1. ,00 35, .71 AAAA C

ATOM 1183 OEl GLN A 185 112, .938 26, .349 -1. .819 1. ,00 35. .71 AAAA O

ATOM 1184 NE2 GLN A 185 114 .360 24 .715 -2 .299 1, .00 35 .71 AAAA N

ATOM 1185 C GLN A 185 109 .249 26, .651 -4 .243 1. .00 35, .40 AAAA C

ATOM 1186 O GLN A 185 108, .823 26, .677 -5, .393 1. .00 35, .40 AAAA O

ATOM 1187 N ASN A 186 108 .453 26 .505 -3 .188 1, .00 32 .56 AAAA N

ATOM 1188 CA ASN A 186 107 .016 26 .342 -3 .353 1, .00 32 .56 AAAA C

ATOM 1189 CB ASN A 186 106 .482 25, .262 -2 .404 1. .00 32 .69 AAAA C

ATOM 1190 CG ASN A 186 106 .956 23 .874 -2 .785 1, .00 32 .69 AAAA C

ATOM 1191 ODl ASN A 186 107 .222 23 .601 -3 .954 1, .00 32 .69 AAAA O

ATOM 1192 ND2 ASN A 186 107 .045 22 .984 -1 .802 1, .00 32 .69 AAAA N

ATOM 1193 C ASN A 186 106 .196 27, .613 -3 .190 1. ,00 32 .56 AAAA C ATOM 1194 O ASN A 186 104..976 27.,557 -3.,019 1.00 32.56 AAAA O

ATOM 1195 N LEU A 187 106. 858 28. 760 -3. 241 1. 00 40. 27 AAAA N

ATOM 1196 CA LEU A 187 106, ,143 30, .024 -3, ,125 1. ,00 40. ,27 AAAA C

ATOM 1197 CB LEU A 187 106. ,746 30. .854 -1, .999 1. .00 31, .61 AAAA C

ATOM 1198 CG LEU A 187 106. ,873 30. 125 -0. 662 1. 00 31. 61 AAAA C

ATOM 1199 CD1 LEU A 187 107. ,437 31. ,096 0. ,360 1. ,00 31. 61 AAAA C

ATOM 1200 CD2 LEU A 187 105. ,527 29, ,580 -0. ,194 1, ,00 31. ,61 AAAA C

ATOM 1201 C LEU A 187 106. ,216 30. ,770 -4. ,464 1. ,00 40. ,27 AAAA C

ATOM 1202 O LEU A 187 107. .253 31, .331 -4. .820 1, .00 40. .27 AAAA O

ATOM 1203 N LEU A 188 105. .118 30. .745 -5. .218 1. ,00 31. ,23 AAAA N

ATOM 1204 CA LEU A 188 105. ,080 31, .409 -6. .523 1. .00 31. .23 AAAA C

ATOM 1205 CB LEU A 188 103. .989 30. .798 -7. .406 1, ,00 34. ,93 AAAA C

ATOM 1206 CG LEU A 188 103, ,907 29, ,272 -7. ,515 1. ,00 34. ,93 AAAA C

ATOM 1207 CD1 LEU A 188 102, .736 28, .917 -8. .419 1. ,00 34. ,93 AAAA C

ATOM 1208 CD2 LEU A 188 105. ,200 28. ,685 -8. .050 1. ,00 34. .93 AAAA C

ATOM 1209 C LEU A 188 104. .833 32, .905 -6, .377 1, .00 31, .23 AAAA C

ATOM 1210 0 LEU A 188 104, .114 33, .337 -5, .485 1. .00 31, .23 AAAA O

ATOM 1211 N LEU A 189 105, .421 33, .678 -7. .282 1. .00 47. .87 AAAA N

ATOM 1212 CA LEU A 189 105. .323 35. .137 -7. .275 1, ,00 47, .87 AAAA C

ATOM 1213 CB LEU A 189 106. .653 35. .734 -6. .797 1, ,00 58. .94 AAAA C

ATOM 1214 CG LEU A 189 106. .869 36, .316 -5. .399 1. ,00 58, .94 AAAA C

ATOM 1215 CD1 LEU A 189 106, .286 35, .423 -4, .315 1. .00 58, .94 AAAA C

ATOM 1216 CD2 LEU A 189 108, .365 36 .489 -5, .210 1, .00 58, .94 AAAA C

ATOM 1217 C LEU A 189 105, .007 35, .757 -8, .633 1, .00 47, .87 AAAA C

ATOM 1218 0 LEU A 189 105. .448 35, .281 -9, .675 1. .00 47, ,87 AAAA O

ATOM 1219 N ASP A 190 104, .239 36, .835 -8, .600 1, .00 61, .73 AAAA N

ATOM 1220 CA ASP A 190 103. .904 37, .593 -9. .790 1. .00 61, ,73 AAAA C

ATOM 1221 CB ASP A 190 102 .465 38 .096 -9 .716 1, .00 77, .89 AAAA C

ATOM 1222 CG ASP A 190 102 .098 38 .992 -10 .888 1, .00 77 .89 AAAA C

ATOM 1223 ODl ASP A 190 103 .020 39 .476 -11 .582 1, .00 77, .89 AAAA O

ATOM 1224 OD2 ASP A 190 100, .892 39 .226 -11 .106 1, .00 77, .89 AAAA O

ATOM 1225 C ASP A 190 104 .879 38 .756 -9 .635 1, .00 61 .73 AAAA C

ATOM 1226 O ASP A 190 104. .693 39 .620 -8 .773 1, . 00 61, .73 AAAA O

ATOM 1227 N PRO A 191 105 .933 38 .788 -10 .462 1 .00 68 .18 AAAA N

ATOM 1228 CD PRO A 191 105 .940 38 .041 -11 .733 1 .00 73 .12 AAAA C

ATOM 1229 CA PRO A 191 106 .989 39 .813 -10 .466 1 .00 68 .18 AAAA C

ATOM 1230 CB PRO A 191 107 .807 39 .446 -11 .699 1 .00 73 .12 AAAA C

ATOM 1231 CG PRO A 191 106 .747 38 .951 -12 .639 1 .00 73 .12 AAAA C

ATOM 1232 C PRO A 191 106 .462 41 .240 -10 .537 1, .00 68 .18 AAAA C

ATOM 1233 O PRO A 191 107 .001 42 .157 -9 .921 1 .00 68 .18 AAAA O

ATOM 1234 N ASP A 192 105 .402 41 .419 -11 .303 1 .00 53 .59 AAAA N

ATOM 1235 CA ASP A 192 104 .820 42 .730 -11 .442 1 .00 53 .59 AAAA C ATOM 1236 CB ASP A 192 104.,112 42,,852 -12,,790 1.,00 84,,00 AAAA C

ATOM 1237 CG ASP A 192 105. ,084 42, ,864 -13, ,951 1. ,00 84. .00 AAAA C

ATOM 1238 ODl ASP A 192 106, ,236 42, .411 -13, .767 1. ,00 84. .00 AAAA O

ATOM 1239 OD2 ASP A 192 104, ,698 43, .320 -15, .049 1. ,00 84. .00 AAAA O

ATOM 1240 C ASP A 192 103, .859 43, .063 -10, ,317 1. ,00 53. .59 AAAA C

ATOM 1241 O ASP A 192 103. .700 44, .228 -9, .984 1, ,00 53. .59 AAAA O

ATOM 1242 N THR A 193 103, .226 42, .071 -9. .700 1, ,00 66. .39 AAAA N

ATOM 1243 CA THR A 193 102, .279 42, ,405 -8. .622 1. ,00 66. .39 AAAA C

ATOM 1244 CB THR A 193 100, .934 41, .644 -8. ,780 1, ,00 59. ,92 AAAA C

ATOM 1245 OG1 THR A 193 101. ,145 40. .236 -8. .617 1, ,00 59. ,92 AAAA O

ATOM 1246 CG2 THR A 193 100. ,311 41. .928 -10. .134 1. ,00 59. .92 AAAA C

ATOM 1247 C THR A 193 102. ,743 42. .190 -7. .180 1, ,00 66. .39 AAAA C

ATOM 1248 O THR A 193 102, .200 42, .795 -6, .266 1, ,00 66, .39 AAAA O

ATOM 1249 N ALA A 194 103, .734 41. .327 -6, .984 1, ,00 54, .02 AAAA N

ATOM 1250 CA ALA A 194 104. .223 41. ,007 -5, .651 1, ,00 54. .02 AAAA C

ATOM 1251 CB ALA A 194 104. .390 42, .284 -4. .810 1, .00 37, .27 AAAA C

ATOM 1252 C ALA A 194 103. .217 40, ,072 -4, ,979 1, .00 54, .02 AAAA C

ATOM 1253 O ALA A 194 103. .203 39, .953 -3, .755 1. .00 54, ,02 AAAA O

ATOM 1254 N VAL A 195 102, .377 39, .421 -5, .776 1, .00 40, .59 AAAA N

ATOM 1255 CA VAL A 195 101, .415 38, .490 -5, .214 1, ,00 40, .59 AAAA C

ATOM 1256 CB VAL A 195 100. .141 38, .364 -6, .085 1. .00 37, .92 AAAA C

ATOM 1257 CGI VAL A 195 99, .340 37, .146 -5, .652 1. .00 37, .92 AAAA C

ATOM 1258 CG2 VAL A 195 99, .281 39. .606 -5, .934 1. .00 37. .92 AAAA C

ATOM 1259 C VAL A 195 102, .087 37 .133 -5, .090 1. .00 40 .59 AAAA C

ATOM 1260 O VAL A 195 102, .756 36 .661 -6 .017 1. .00 40 .59 AAAA O

ATOM 1261 N LEU A 196 101, .914 36 .509 -3 .932 1, .00 31 .99 AAAA N

ATOM 1262 CA LEU A 196 102, .520 35 .208 -3 .676 1, .00 31 .99 AAAA C

ATOM 1263 CB LEU A 196 103. .307 35, .265 -2, .362 1. .00 32, .44 AAAA C

ATOM 1264 CG LEU A 196 103, .853 33, .991 -1, .726 1. .00 32, .44 AAAA C

ATOM 1265 GDI LEU A 196 105, .034 34, .333 -0, .844 1, .00 32, .44 AAAA C

ATOM 1266 CD2 LEU A 196 102, ,748 33 .309 -0, .933 1, .00 32, .44 AAAA C

ATOM 1267 C LEU A 196 101, .470 34 .112 -3 .639 1. .00 31 .99 AAAA C

ATOM 1268 O LEU A 196 100, .326 34 .348 -3 .292 1. .00 31 .99 AAAA O

ATOM 1269 N LYS A 197 101, .856 32 .910 -4 .022 1. .00 52 .18 AAAA N

ATOM 1270 CA LYS A 197 100 .917 31 .807 - .001 1. .00 52 .18 AAAA C

ATOM 1271 CB LYS A 197 100 .373 31 .513 -5 .395 1, .00 37 .51 AAAA C

ATOM 1272 CG LYS A 197 99 .437 32 .558 -5 .943 1, .00 37 .51 AAAA C

ATOM 1273 CD LYS A 197 99 .106 32 .281 -7 .386 1 .00 37 .51 AAAA C

ATOM 1274 CE LYS A 197 98 .282 33 .398 -7 .963 1 .00 37 .51 AAAA C

ATOM 1275 NZ LYS A 197 97 .041 33 .532 -7 .184 1 .00 37 .51 AAAA N

ATOM 1276 C LYS A 197 101 .616 30 .569 -3 .494 1 .00 52 .18 AAAA C

ATOM 1277 O LYS A 197 102 .772 30 .294 -3 .843 1 .00 52 .18 AAAA O ATOM 1278 N LEU A 198 100,,914 29.,823 -2.658 1.00 33.98 AAAA N

ATOM 1279 CA LEU A 198 101. ,437 28. 576 -2. 136 1. 00 33. 98 AAAA C

ATOM 1280 CB LEU A 198 100. ,740 28. 221 -0. 824 1. 00 23. ,53 AAAA C

ATOM 1281 CG LEU A 198 101. .176 26. ,927 -0, ,150 1. ,00 23. ,53 AAAA C

ATOM 1282 CD1 LEU A 198 102. ,682 26. ,855 -0. ,072 1. 00 23, ,53 AAAA C

ATOM 1283 CD2 LEU A 198 100. ,556 26. ,862 1. ,226 1. ,00 23, ,53 AAAA C

ATOM 1284 C LEU A 198 101. .139 27. ,512 -3, .190 1. ,00 33. ,98 AAAA C

ATOM 1285 O LEU A 198 100. ,068 27. 510 -3. 798 1. 00 33. .98 AAAA O

ATOM 1286 N CYS A 199 102. ,087 26. ,614 -3. 418 1. 00 33. ,95 AAAA N

ATOM 1287 CA CYS A 199 101. .875 25. .573 -4, ,400 1. ,00 33. .95 AAAA C

ATOM 1288 CB CYS A 199 102, .397 26. ,018 -5. ,762 1. ,00 53. .78 AAAA C

ATOM 1289 SG CYS A 199 104, .169 25. .861 -5, ,941 1. .00 53. .78 AAAA S

ATOM 1290 C CYS A 199 102. .500 24, .237 -4. ,014 1. ,00 33. ,95 AAAA C

ATOM 1291 O CYS A 199 103, .201 24, .122 -3. .002 1. ,00 33. .95 AAAA O

ATOM 1292 N ASP A 200 102, ,243 23, ,240 -4. ,857 1. ,00 30, ,31 AAAA N

ATOM 1293 CA ASP A 200 102. ,704 21. .869 -4. ,668 1. ,00 30, .31 AAAA C

ATOM 1294 CB ASP A 200 104. ,220 21. ,761 -4. .682 1. .00 53. .15 AAAA C

ATOM 1295 CG ASP A 200 104, .677 20, .325 -4. .663 1, ,00 53. .15 AAAA C

ATOM 1296 ODl ASP A 200 105, ,858 20. ,090 -4. .365 1, .00 53, .15 AAAA O

ATOM 1297 OD2 ASP A 200 103, .851 19. .426 -4. .954 1. .00 53. .15 AAAA O

ATOM 1298 C ASP A 200 102, .197 21, .232 -3. .381 1. .00 30, .31 AAAA C

ATOM 1299 O ASP A 200 102, .919 21, .156 -2. .379 1. .00 30, .31 AAAA O

ATOM 1300 N PHE A 201 100, .952 20. .769 -3. .427 1. .00 37. .53 AAAA N

ATOM 1301 CA PHE A 201 100, .335 20, .117 -2, .296 1. .00 37, .53 AAAA C

ATOM 1302 CB PHE A 201 98, ,851 20, .427 -2. .265 1. .00 33, .32 AAAA C

ATOM 1303 CG PHE A 201 98, .549 21, .840 -1. .867 1, .00 33, .32 AAAA C

ATOM 1304 CD1 PHE A 201 98. .760 22. .883 -2. .763 1, ,00 33, .32 AAAA C

ATOM 1305 CD2 PHE A 201 98. .121 22 .136 -0, .569 1 .00 33 .32 AAAA C

ATOM 1306 CEl PHE A 201 98 .555 24 .206 -2 .372 1 .00 33 .32 AAAA C

ATOM 1307 CE2 PHE A 201 97 .915 23 .439 -0 .172 1 .00 33 .32 AAAA C

ATOM 1308 CZ PHE A 201 98. .132 24, .484 -1, .071 1, .00 33, .32 AAAA C

ATOM 1309 C PHE A 201 100 .542 18 .621 -2 .351 1 .00 37 .53 AAAA C

ATOM 1310 O PHE A 201 99, .788 17, .865 -1, .746 1, . 00 37, .53 AAAA O

ATOM 1311 N GLY A 202 101 .574 18 .199 -3 .069 1 .00 37 .23 AAAA N

ATOM 1312 CA GLY A 202 101 .856 16 .781 -3 .197 1 .00 37 .23 AAAA C

ATOM 1313 C GLY A 202 102 .194 16 .066 -1 .900 1 .00 37 .23 AAAA C

ATOM 1314 O GLY A 202 102 .269 14 .848 -1 .872 1 .00 37 .23 AAAA O

ATOM 1315 N SER A 203 102 .397 16 .808 -0 .821 1 .00 29 .25 AAAA N

ATOM 1316 CA SER A 203 102 .722 16 .191 0 .454 1 .00 29 .25 AAAA C

ATOM 1317 CB SER A 203 104 .125 16 .614 0 .923 1 .00 46 .36 AAAA C

ATOM 1318 OG SER A 203 105 .146 16 .194 0 .034 1 .00 46 .36 AAAA O

ATOM 1319 C SER A 203 101 .716 16 .627 1 .496 1 .00 29 .25 AAAA C ATOM 1320 O SER A 203 101..839 16..293 2.,667 1,,00 29,,25 AAAA O

ATOM 1321 N ALA A 204 100, .725 17, .390 1, .073 1. .00 29, .28 AAAA N

ATOM 1322 CA ALA A 204 99. .747 17. .883 2, ,021 1, ,00 29, ,28 AAAA C

ATOM 1323 CB ALA A 204 98, .967 19. .032 1. ,429 1. ,00 12. ,45 AAAA C

ATOM 1324 C ALA A 204 98, .810 16, .784 2. ,461 1. ,00 29. .28 AAAA C

ATOM 1325 O ALA A 204 98, .491 15. .871 1, ,708 1. ,00 29. .28 AAAA O

ATOM 1326 N LYS A 205 98, .375 16. .880 3, ,702 1, ,00 38. .51 AAAA N

ATOM 1327 CA LYS A 205 97, .467 15. .909 4. ,229 1. ,00 38, ,51 AAAA C

ATOM 1328 CB LYS A 205 98. .229 14. .791 4. ,931 1. ,00 32, .72 AAAA C

ATOM 1329 CG LYS A 205 97, .361 13, .778 5. .658 1. .00 32, .72 AAAA C

ATOM 1330 CD LYS A 205 98, .225 12, .642 6, .145 1. .00 32, .72 AAAA C

ATOM 1331 CE LYS A 205 97. .568 11, .836 7. ,233 1. 00 32. ,72 AAAA C

ATOM 1332 NZ LYS A 205 98. .521 10. ,830 7, ,734 1. ,00 32, ,72 AAAA N

ATOM 1333 C LYS A 205 96, .514 16, .564 5. .190 1. .00 38, .51 AAAA C

ATOM 1334 O LYS A 205 96, .844 17, .532 5. .874 1, .00 38, .51 AAAA O

ATOM 1335 N GLN A 206 95, .305 16. .030 5. .218 1, ,00 49. .82 AAAA N

ATOM 1336 CA GLN A 206 94. ,252 16, .504 6. .102 1. .00 49. .82 AAAA C

ATOM 1337 CB GLN A 206 92. .909 16. .096 5. .516 1. .00 84. .85 AAAA C

ATOM 1338 CG GLN A 206 91, .729 16, .908 5. .987 1. .00 84. .85 AAAA C

ATOM 1339 CD GLN A 206 90. .560 16. .665 5. .066 1. .00 84. .85 AAAA C

ATOM 1340 OEl GLN A 206 90, .755 16, .161 3. .954 1. .00 84. .85 AAAA O

ATOM 1341 NE2 GLN A 206 89, .351 17, .019 5, .497 1. .00 84, .85 AAAA N

ATOM 1342 C GLN A 206 94, .495 15 .779 7, .420 1, .00 49, .82 AAAA C

ATOM 1343 O GLN A 206 94, .079 14, .638 7, .572 1. .00 49, .82 AAAA O

ATOM 1344 N LEU A 207 95, .159 16, .439 8, .365 1. ,00 43. .84 AAAA N

ATOM 1345 CA LEU A 207 95. ,450 15. .812 9. .650 1. ,00 43. .84 AAAA C

ATOM 1346 CB LEU A 207 96. .499 16 .596 10. .429 1, .00 31, .58 AAAA C

ATOM 1347 CG LEU A 207 97 .793 16 .964 9 .722 1, .00 31 .58 AAAA C

ATOM 1348 CD1 LEU A 207 98. .705 17 .706 10 .691 1, ,00 31, .58 AAAA C

ATOM 1349 CD2 LEU A 207 98. .456 15. .707 9. .177 1, .00 31. .58 AAAA C

ATOM 1350 C LEU A 207 94. .234 15 .665 10 .546 1, .00 43, .84 AAAA C

ATOM 1351 O LEU A 207 93 .419 16 .578 10 .667 1, .00 43 .84 AAAA O

ATOM 1352 N VAL A 208 94 .131 14 .501 11 .175 1, .00 33, .02 AAAA N

ATOM 1353 CA VAL A 208 93. .053 14, .193 12, .099 1, .00 33, .02 AAAA C

ATOM 1354 CB VAL A 208 92 .157 13 .058 11 .569 1, .00 33 .72 AAAA C

ATOM 1355 CGI VAL A 208 91 .005 12 .824 12 .533 1 .00 33 .72 AAAA C

ATOM 1356 CG2 VAL A 208 91 .647 13 .405 10 .182 1 .00 33 .72 AAAA C

ATOM 1357 C VAL A 208 93 .752 13 .721 13 .365 1, .00 33, .02 AAAA C

ATOM 1358 O VAL A 208 94 .550 12 .795 13 .324 1 .00 33 .02 AAAA O

ATOM 1359 N ARG A 209 93 .470 14 .369 14 .483 1 .00 40 .75 AAAA N

ATOM 1360 CA ARG A 209 94 .102 13 .982 15 .730 1 .00 40 .75 AAAA C

ATOM 1361 CB ARG A 209 93 .671 14 .939 16 .841 1, .00 54 .04 AAAA C ATOM 1362 CG ARG A 209 94.349 16.,291 16,,718 1.,00 54.04 AAAA C

ATOM 1363 CD ARG A 209 93. 729 17. ,334 17. ,614 1. 00 54. 04 AAAA C

ATOM 1364 NE ARG A 209 92. 455 17. ,810 17. ,085 1. 00 54. 04 AAAA N

ATOM 1365 CZ ARG A 209 91. 600 18. ,552 17, .781 1. ,00 54. 04 AAAA C

ATOM 1366 NHl ARG A 209 91. 890 18. .897 19, ,035 1. ,00 54. 04 AAAA N

ATOM 1367 NH2 ARG A 209 90. .462 18. ,949 17, .229 1. ,00 54. 04 AAAA N

ATOM 1368 C ARG A 209 93. .806 12. ,530 16, .105 1. ,00 40. .75 AAAA C

ATOM 1369 O ARG A 209 92. .656 12. .078 16, .058 1. ,00 40. .75 AAAA O

ATOM 1370 N GLY A 210 94. ,863 11. ,803 16. .458 1. ,00 39. ,27 AAAA N

ATOM 1371 CA GLY A 210 94. ,720 10, .410 16. ,833 1, ,00 39. ,27 AAAA C

ATOM 1372 C GLY A 210 95. ,247 9. .496 15. .748 1. .00 39. .27 AAAA C

ATOM 1373 O GLY A 210 95. ,795 8. ,433 16. .033 1. ,00 39. ,27 AAAA O

ATOM 1374 N GLU A 211 95. ,077 9. ,914 14. .499 1. ,00 56. .35 AAAA N

ATOM 1375 CA GLU A 211 95. ,547 9. ,136 13. .361 1, ,00 56. ,35 AAAA C

ATOM 1376 CB GLU A 211 94. ,624 9. ,351 12. .163 1, ,00 74. ,14 AAAA C

ATOM 1377 CG GLU A 211 93. ,180 9, ,020 12. .490 1. ,00 74. .14 AAAA C

ATOM 1378 CD GLU A 211 92, .259 9. .099 11, .294 1. ,00 74. .14 AAAA C

ATOM 1379 OEl GLU A 211 91, .039 8. .907 11, .493 1. .00 74. .14 AAAA O

ATOM 1380 OE2 GLU A 211 92. .748 9. .346 10, .165 1. .00 74, .14 AAAA O

ATOM 1381 C GLU A 211 96. .965 9. .574 13, .030 1, .00 56. .35 AAAA C

ATOM 1382 O GLU A 211 97, .200 10, .720 12, .667 1, .00 56, .35 AAAA O

ATOM 1383 N PRO A 212 97. .927 8. .653 13, .138 1. .00 52. .81 AAAA N

ATOM 1384 CD PRO A 212 97. .669 7, .211 13, ,258 1. .00 39, .36 AAAA C

ATOM 1385 CA PRO A 212 99. .348 8. .897 12. ,870 1. .00 52. .81 AAAA C

ATOM 1386 CB PRO A 212 99 . .978 7, .531 13. .128 1. .00 39. .36 AAAA C

ATOM 1387 CG PRO A 212 98. .914 6. .613 12. .643 1, ,00 39. .36 AAAA C

ATOM 1388 C PRO A 212 99, .696 9, .432 11, .481 1. .00 52, .81 AAAA C

ATOM 1389 O PRO A 212 99 . .012 9, .147 10 .496 1, .00 52, .81 AAAA O

ATOM 1390 N ASN A 213 100 .778 10, .206 11 .429 1. ,00 33 .19 AAAA N

ATOM 1391 CA ASN A 213 101 .280 10, .788 10 .191 1. .00 33 .19 AAAA C

ATOM 1392 CB ASN A 213 101 .057 12 .293 10 .196 1, .00 28 .91 AAAA C

ATOM 1393 CG ASN A 213 99 .643 12, .648 10 .535 1. .00 28, .91 AAAA C

ATOM 1394 ODl ASN A 213 98 .746 12, .535 9 .704 1. .00 28, .91 AAAA O

ATOM 1395 ND2 ASN A 213 99 .424 13, .054 11 .770 1. .00 28 .91 AAAA N

ATOM 1396 C ASN A 213 102 .755 10. .469 10 .139 1. .00 33 .19 AAAA C

ATOM 1397 O ASN A 213 103 .400 10 .331 11 .171 1. .00 33 .19 AAAA O

ATOM 1398 N VAL A 214 103 .291 10 .373 8 .936 1, .00 31 .79 AAAA N

ATOM 1399 CA VAL A 214 104 .692 10 .020 8 .727 1, .00 31 .79 AAAA C

ATOM 1400 CB VAL A 214 104 .892 9 .690 7 .193 1, .00 24 .88 AAAA C

ATOM 1401 CGI VAL A 214 104 .580 10 .910 6 .336 1, .00 24 .88 AAAA C

ATOM 1402 CG2 VAL A 214 106 .279 9 .148 6 .935 1, .00 24 .88 AAAA C

ATOM 1403 C VAL A 214 105 .719 11 .042 9 .271 1, . 00 31 .79 AAAA C ATOM 1404 O VAL A 214 105,,561 12..256 9.,111 1.,00 31..79 AAAA O

ATOM 1405 N SER A 215 106. .752 10, .526 9. .941 1. ,00 36, .83 AAAA N

ATOM 1406 CA SER A 215 107, .815 11. .348 10. .541 1. .00 36. .83 AAAA C

ATOM 1407 CB SER A 215 108. .756 10, ,528 11, ,434 1. ,00 58, .61 AAAA C

ATOM 1408 OG SER A 215 108, .091 9, .859 12, ,486 1. ,00 58. ,61 AAAA O

ATOM 1409 C SER A 215 108. .704 11, ,996 9, .498 1. ,00 36, ,83 AAAA C

ATOM 1410 O SER A 215 108. .926 13, ,208 9. .498 1. ,00 36. .83 AAAA O

ATOM 1411 N PTR A 216 109. .227 11, ,163 8. .614 1, .00 40. .49 AAAA N

ATOM 1412 CA PTR A 216 110. .121 11. ,640 7. .595 1. .00 40. .49 AAAA C

ATOM 1413 CB PTR A 216 110. .952 10. ,490 7. .079 1. .00 37. .89 AAAA C

ATOM 1414 CG PTR A 216 112. .236 10. ,953 6. .466 1. .00 37. .89 AAAA C

ATOM 1415 CD1 PTR A 216 113. .223 11. ,550 7. .265 1. .00 37. .89 AAAA C

ATOM 1416 CEl PTR A 216 114. .417 11. .966 6. .725 1. .00 37. .89 AAAA C

ATOM 1417 CD2 PTR A 216 112. .481 10. .795 5, .094 1. .00 37, .89 AAAA C

ATOM 1418 CE2 PTR A 216 113, .684 11. .215 4, .535 1. .00 37, .89 AAAA C

ATOM 1419 CZ PTR A 216 114. .653 11. .793 5, .363 1, .00 37, .89 AAAA C

ATOM 1420 OH PTR A 216 115, .943 12, ,118 4, .888 1, .00 37, .89 AAAA O

ATOM 1421 P PTR A 216 116, .222 13, .518 4, .279 1, .00 37. .89 AAAA P

ATOM 1422 OIP PTR A 216 116. .722 14. .379 5, .383 1. .00 37. .89 AAAA O

ATOM 1423 02P PTR A 216 117, .377 13. .328 3, .328 1, .00 37. .89 AAAA O

ATOM 1424 03P PTR A 216 115, .026 14. .069 3, .570 1, ,00 37. .89 AAAA O

ATOM 1425 C PTR A 216 109, .344 12, .265 6, .462 1, ,00 40. .49 AAAA C

ATOM 1426 O PTR A 216 109, .108 11. .637 5, .428 1. ,00 40. .49 AAAA O

ATOM 1427 N ILE A 217 108. .962 13. .518 6, .673 1. .00 42, .20 AAAA N

ATOM 1428 CA ILE A 217 108, .191 14, .288 5, .709 1. .00 42, .20 AAAA C

ATOM 1429 CB ILE A 217 106, .732 14, .451 6. .200 1, .00 30, .68 AAAA C

ATOM 1430 CG2 ILE A 217 106, .704 15, .298 7, .469 1, .00 30, .68 AAAA C

ATOM 1431 CGI ILE A 217 105, .857 15, .079 5, .115 1, .00 30, .68 AAAA C

ATOM 1432 GDI ILE A 217 105, .488 14. .124 3, .990 1, .00 30, .68 AAAA C

ATOM 1433 C ILE A 217 108 .852 15, .656 5, .690 1, .00 42 .20 AAAA C

ATOM 1434 O ILE A 217 109 .554 16, .015 6, .644 1, .00 42 .20 AAAA O

ATOM 1435 N CYS A 218 108 .651 16, .411 4 .612 1, .00 37 .53 AAAA N

ATOM 1436 CA CYS A 218 109 .210 17 .750 4 .554 1, .00 37 .53 AAAA C

ATOM 1437 CB CYS A 218 108 .998 18 .383 5 .930 1. .00 46 .11 AAAA C

ATOM 1438 SG CYS A 218 108 .842 20, .126 5, .957 1, .00 46 .11 AAAA S

ATOM 1439 C CYS A 218 110 .700 17, .805 4 .155 1, .00 37 .53 AAAA C

ATOM 1440 O CYS A 218 111 .475 16, .899 4 .457 1, .00 37 .53 AAAA O

ATOM 1441 N SER A 219 111 .084 18 .884 3 .481 1. .00 33 .35 AAAA N

ATOM 1442 CA SER A 219 112 .461 19 .110 3 .031 1 .00 33 .35 AAAA C

ATOM 1443 CB SER A 219 112 .505 20 .284 2 .062 1 .00 36 .05 AAAA C

ATOM 1444 OG SER A 219 111 .584 20 .081 1 .018 1 .00 36 .05 AAAA O

ATOM 1445 C SER A 219 113 .403 19 .389 4 .200 1 .00 33 .35 AAAA C

SS Ω Ω Ω Ω SS d Ω d Ω SS co α Ω to fc X IS!

H Hi HI Hi H H H HI ι-3 Hi ι-3 Hi Hi HI HI Hi H H Hi Hi Hi fc

Kj << Kj Ki i Ki Ki Ki Ki K Ki K. Ki Ki Ki Ki Ki ≥ X ≥ X ≥ x ≥ X ≥ X ≥ X X rtSo % % % CO

to o to to X X to X X to X to to to to X t X X to X Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω O X fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc to to to to DO DO DO to to t to to DO to DO to to DO DO to to to to to to to to to to to to to to to to to to to to to t to to to to DO DO to DO to to DO DO DO to to to to DO to to to to to to to DO DO to to to

LO LO DO to to to DO to to DO to to to H H I-¹ I-¹ I-¹ I-¹ I-¹ o o o O O o o O o

H H I-¹ I-" H¹ I-¹ I-¹ H H H I-¹ f-¹ I-¹ H M H H H to t to I-¹ I-¹ H to t-¹ I-¹ t- to to H¹ to in 00 to Φ- DO OJ in in H o o CO vo CO 00 CΛ CΛ cn LΠ LΠ VD o D CΛ in Φ- OJ

O LΠ 00 Φ- o to in H co -J Φ- CO CΛ to 00 CO o CO co cn CΛ 00 LO to cπ 03 -J CΛ LΠ VD cn CΛ φ. in 00 o VD oo DO vo in in 00 en o o o CΛ in to 00 φ. LΠ LΠ 0J DO CΛ co

LΠ Φ- in 00 LΠ H 03 LΠ in in φ- H -J -0 σi o Lπ LΠ CΛ 00 LΠ co -J in Φ- LΠ CΛ CΛ VD

H¹ DO DO to DO to DO to DO to to to to to to to to to to t H H¹ H H to

03 H to to LΠ Π LO to LO DO I-¹ DO 00 DO 0J DO o o Φ- cn cn CΛ CD 03 O

-J I-¹ H¹ 0J VD CΛ vo vo LΠ 00 in 00 vo M n Lπ -0 I-¹ to oo VO o o CO CΛ VD in φ- Φ- in -J to LO to cn VD oo to CO O oo LO o -o CO o CΛ DO DO o to LO LΠ φ- to in VD O to -J o o 00 CD 03 n 00 H o φ. Φ- LΠ CO 1 VD o VD H LΠ to φ. CO in to to ιo Φ. to oj φ. ιπ cΛ cn CΛ DO DO 0J φ. tO t φ. φ. Lπ Lπ CΛ LO LO LO Φ- Ln cΛ Lπ Lπ φ.

0J to Φ- CO O in 00 in cn in in in CΛ o t φ. H CO CO φ. o CΛ DO o H cn 00 00 H¹ o OJ 00 OJ CO φ. o -o to DO vo Φ- φ. LΠ CΛ oo Φ- LO VD to CO CO cn cn LO cn CΛ CO LΠ CO VO Φ- O CO H LΠ -0 vo

LΠ φ- H Φ- LΠ Φ- -0 vo LΠ -J VD oo DO to -0 00 00 CΛ -0 cn φ. 00 to O -J CO n H

H l-¹ H l-¹ I-¹ H H I-¹ H I-¹ H H H H H H H H H H H H H H H H H H H H H H H H H H

O O O O O o o o o o o o o σ o o o o o o O O O O o o o o o o O O O O O O o o o o o O O O o o o o o o o o o o o o o o o o o o o O o o o o o o O O O O O O o o o o to DO DO to LO to co LO 00 LO OJ 0J DO DO 0J 00 io 0J CO CO CO co LO to to LO LO LO LO LO LO to DO LO cn LΠ cn n cn CΛ cn CΛ CΛ CΛ CΛ CΛ CΛ LO DO to to to DO DO DO co co 1 1 -0 -0 OJ

I-¹ H LO oo ~0 -o LO 10 DO to DO DO to DO DO DO to to φ. φ. l -J. Φ- φ. CO

CO CO CO Φ- φ. Φ- φ. DO to DO DO to t to Φ- φ. to to ! ! ~0 DO in LΠ CO co 00 00 CO 00 00 LΠ in in

SS Ω Ω Ω Ω iZi d Ω d Ω Ω O Ω Ω Ω Ω Ω SS d Ω d Ω Ω Ω Ω Ω Ω Ω Ω Sl d Ω SS SS Ω SS O Ω Ω Ω SS d

ATOM 1488 CZ ARG A 223 113.,592 15,.643 6..552 1.,00 27.,18 AAAA C

ATOM 1489 NHl ARG A 223 114. ,746 15, .233 7, .075 1. ,00 27. ,18 AAAA N

ATOM 1490 NH2 ARG A 223 113. ,385 15, .541 5. .246 1. ,00 27. .18 AAAA N

ATOM 1491 C ARG A 223 111. ,908 20, .518 10. .118 1. .00 35. .74 AAAA C

ATOM 1492 O ARG A 223 112, ,957 20, .907 10. .633 1. .00 35. .74 AAAA O

ATOM 1493 N ALA A 224 110. ,774 20, ,433 10, .797 1. .00 28, .93 AAAA N

ATOM 1494 CA ALA A 224 110. .711 20, .800 12, .212 1. .00 28, .93 AAAA C

ATOM 1495 CB ALA A 224 109. .264 21, .007 12. .627 1. .00 13, .33 AAAA C

ATOM 1496 C ALA A 224 111. .378 19, .747 13, .120 1. .00 28. .93 AAAA C

ATOM 1497 O ALA A 224 111. .601 18, .604 12. .716 1. .00 28, .93 AAAA O

ATOM 1498 N PRO A 225 111. .699 20, .129 14. .363 1. .00 42, .25 AAAA N

ATOM 1499 CD PRO A 225 111. ,621 21. .485 14. .919 1. .00 33, .79 AAAA C

ATOM 1500 CA PRO A 225 112, ,338 19. .223 15. .319 1. .00 42. .25 AAAA C

ATOM 1501 CB PRO A 225 112, ,598 20. .113 16. .527 1. .00 33. .79 AAAA C

ATOM 1502 CG PRO A 225 112, ,735 21. .459 15. .932 1. .00 33. .79 AAAA C

ATOM 1503 C PRO A 225 111. ,501 18, .015 15. .696 1. .00 42. .25 AAAA C

ATOM 1504 O PRO A 225 112. ,018 16, .905 15. .712 1. .00 42, .25 AAAA O

ATOM 1505 N GLU A 226 110. ,222 18, .223 16, .006 1, .00 30, .21 AAAA N

ATOM 1506 CA GLU A 226 109. ,384 17, .103 16. .394 1. .00 30, .21 AAAA C

ATOM 1507 CB GLU A 226 107. ,910 17, .519 16, .564 1, .00 34, .80 AAAA C

ATOM 1508 CG GLU A 226 107, ,263 18, .194 15. .361 1, .00 34, .80 AAAA C

ATOM 1509 CD GLU A 226 107. .221 19, .724 15, .487 1, .00 34, .80 AAAA C

ATOM 1510 OEl GLU A 226 108, .244 20, .326 15, .890 1. .00 34 .80 AAAA O

ATOM 1511 OE2 GLU A 226 106, .167 20, .320 15, .170 1. .00 34 .80 AAAA O

ATOM 1512 C GLU A 226 109, .515 15, .961 15, .394 1, .00 30 .21 AAAA C

ATOM 1513 O GLU A 226 109, .611 14, .812 15, .787 1, .00 30 .21 AAAA O

ATOM 1514 N LEU A 227 109, .558 16 .281 14, .104 1, .00 30 .79 AAAA N

ATOM 1515 CA LEU A 227 109. .687 15, .272 13. .061 1. .00 30, .79 AAAA C

ATOM 1516 CB LEU A 227 109, .574 15, .927 11. .692 1. .00 30, .35 AAAA C

ATOM 1517 CG LEU A 227 108. .298 16, .681 11. .360 1. .00 30, .35 AAAA C

ATOM 1518 GDI LEU A 227 108, .487 17, .321 9, .992 1, . 00 30, .35 AAAA C

ATOM 1519 CD2 LEU A 227 107, .089 15, .746 11, .390 1. .00 30, .35 AAAA C

ATOM 1520 C LEU A 227 111, .007 14, .489 13, .117 1, .00 30 .79 AAAA C

ATOM 1521 O LEU A 227 111, .021 13 .268 12, .932 1, .00 30 .79 AAAA O

ATOM 1522 N ILE A 228 112, .118 15 .189 13, .340 1, .00 35 .23 AAAA N

ATOM 1523 CA ILE A 228 113, .414 14 .531 13, .421 1, .00 35 .23 AAAA C

ATOM 1524 CB ILE A 228 114 .548 15 .547 13, .624 1, .00 26 .85 AAAA C

ATOM 1525 CG2 ILE A 228 115 .878 14 .830 13, .700 1, .00 26 .85 AAAA C

ATOM 1526 CGI ILE A 228 114 .573 16 .542 12 .466 1 .00 26 .85 AAAA C

ATOM 1527 GDI ILE A 228 115 .433 17 .732 12 .737 1 .00 26 .85 AAAA C

ATOM 1528 C ILE A 228 113 .392 13 .577 14 .606 1 .00 35 .23 AAAA C

ATOM 1529 O ILE A 228 113 .982 12 .489 14 .564 1 .00 35 .23 AAAA O ATOM 1530 N PHE A 229 112,.705 13,.993 15..665 1..00 35,.83 AAAA N

ATOM 1531 CA PHE A 229 112, .581 13, .183 16. .860 1. .00 35, .83 AAAA C

ATOM 1532 CB PHE A 229 112, .148 14. ,044 18. ,025 1. ,00 33. .57 AAAA C

ATOM 1533 CG PHE A 229 113, .273 14. ,746 18, .699 1. ,00 33. .57 AAAA C

ATOM 1534 CD1 PHE A 229 113, .820 15. ,900 18. .160 1. .00 33. .57 AAAA C

ATOM 1535 CD2 PHE A 229 113, .770 14. .267 19. .898 1, ,00 33. .57 AAAA C

ATOM 1536 CEl PHE A 229 114, ,845 16. .570 18. .815 1, .00 33, .57 AAAA C

ATOM 1537 CE2 PHE A 229 114, .789 14. .929 20. .558 1, .00 33, .57 AAAA C

ATOM 1538 CZ PHE A 229 115, .328 16. .082 20, ,020 1, .00 33. .57 AAAA C

ATOM 1539 C PHE A 229 111. .600 12. .030 16, ,701 1, ,00 35. .83 AAAA C

ATOM 1540 O PHE A 229 111. .299 11. .319 17, ,657 1, .00 35. ,83 AAAA 0

ATOM 1541 N GLY A 230 111. .086 11. .850 15. ,497 1, .00 30. .78 AAAA N

ATOM 1542 CA GLY A 230 110, .179 10. .747 15. ,274 1. , 00 30. ,78 AAAA C

ATOM 1543 C GLY A 230 108, .733 11, .010 15. .621 1. .00 30. ,78 AAAA C

ATOM 1544 O GLY A 230 107. .937 10, .070 15. .660 1. ,00 30, .78 AAAA O

ATOM 1545 N ALA A 231 108, .387 12. .270 15. .871 1. .00 38. .30 AAAA N

ATOM 1546 CA ALA A 231 107, .012 12, .612 16. .189 1. .00 38. .30 AAAA C

ATOM 1547 CB ALA A 231 106, .813 14, .112 16. .181 1. .00 37. .77 AAAA C

ATOM 1548 C ALA A 231 106, .177 11, .978 15, .103 1. .00 38, .30 AAAA C

ATOM 1549 O ALA A 231 106, .634 11, .809 13, .979 1, .00 38. .30 AAAA O

ATOM 1550 N THR A 232 104. ,948 11, .630 15. .428 1. .00 36. .73 AAAA N

ATOM 1551 CA THR A 232 104, .098 10. .999 14. .449 1. ,00 36. .73 AAAA C

ATOM 1552 CB THR A 232 104, .218 9. .462 14. .602 1. ,00 45. .10 AAAA c

ATOM 1553 OG1 THR A 232 103, .861 8. .829 13. .372 1. ,00 45, .10 AAAA 0

ATOM 1554 CG2 THR A 232 103, .339 8. .952 15, .744 1. .00 45, .10 AAAA c

ATOM 1555 C THR A 232 102, .687 11. .516 14. .706 1, .00 36, .73 AAAA c

ATOM 1556 O THR A 232 101. .748 11. .225 13. .964 1. . 00 36 , .73 AAAA 0

ATOM 1557 N ASP A 233 102. .580 12. .332 15. .752 1. ,00 41. .75 AAAA N

ATOM 1558 CA ASP A 233 101, .330 12, .947 16, .178 1, .00 41, .75 AAAA c

ATOM 1559 CB ASP A 233 101 .047 12, .564 17, .618 1, .00 59, .89 AAAA c

ATOM 1560 CG ASP A 233 102 .134 13, .040 18, .561 1, .00 59, .89 AAAA c

ATOM 1561 ODl ASP A 233 103 .285 13, .224 18, .104 1, .00 59, .89 AAAA 0

ATOM 1562 OD2 ASP A 233 101 .845 13, .216 19 .765 1, .00 59 .89 AAAA 0

ATOM 1563 C ASP A 233 101, .449 14, .464 16, .090 1. .00 41, .75 AAAA c

ATOM 1564 O ASP A 233 100, .819 15, .193 16, .857 1, .00 41, .75 AAAA 0

ATOM 1565 N TYR A 234 102, .271 14, .930 15, .160 1. .00 33, .68 AAAA N

ATOM 1566 CA TYR A 234 102, .489 16, .351 14, .963 1, .00 33, .68 AAAA C

ATOM 1567 CB TYR A 234 103, .715 16, .555 14, .065 1, .00 30, .13 AAAA C

ATOM 1568 CG TYR A 234 103, .628 15. .876 12, .716 1. .00 30, .13 AAAA c

ATOM 1569 CD1 TYR A 234 102, .953 16, .476 11, .645 1, .00 30, .13 AAAA c

ATOM 1570 CEl TYR A 234 102, .881 15, .854 10, .404 1, . 00 30, .13 AAAA c

ATOM 1571 CD2 TYR A 234 104, .223 14, .633 12, .505 1, .00 30, .13 AAAA c ATOM 1572 CE2 TYR A 234 104..158 14..003 11,.258 1. , 00 30.,13 AAAA C

ATOM 1573 CZ TYR A 234 103, .489 14, .621 10, .221 1. .00 30, .13 AAAA C

ATOM 1574 OH TYR A 234 103, .452 14 .004 9, .003 1. .00 30, .13 AAAA O

ATOM 1575 c TYR A 234 101, .278 17, .077 14, ,375 1. .00 33, .68 AAAA C

ATOM 1576 O TYR A 234 100, .386 16, .466 13, .788 1, .00 33, .68 AAAA O

ATOM 1577 N THR A 235 101, .266 18. .395 14. .541 1. ,00 38. .61 AAAA N

ATOM 1578 CA THR A 235 100, .186 19, .238 14, .050 1. .00 38. .61 AAAA C

ATOM 1579 CB THR A 235 99, .660 20, .137 15, .168 1. .00 27. .34 AAAA C

ATOM 1580 OG1 THR A 235 100, .633 21, .150 15, .472 1. .00 27, .34 AAAA O

ATOM 1581 CG2 THR A 235 99, .394 19. .303 16, .417 1. ,00 27. .34 AAAA C

ATOM 1582 C THR A 235 100, .663 20, .113 12. .896 1. .00 38. .61 AAAA C

ATOM 1583 O THR A 235 101. .831 20, .069 12. .505 1. ,00 38. .61 AAAA O

ATOM 1584 N SER A 236 99, .756 20, .910 12, .350 1. .00 30, .62 AAAA N

ATOM 1585 CA SER A 236 100, .097 21, .782 11, .243 1. .00 30, .62 AAAA C

ATOM 1586 CB SER A 236 98, ,843 22. .451 10, .712 1. .00 32. .65 AAAA C

ATOM 1587 OG SER A 236 98. .275 23, .228 11. .735 1, .00 32, .65 AAAA O

ATOM 1588 C SER A 236 101. .120 22, ,851 11, .634 1, ,00 30, .62 AAAA C

ATOM 1589 O SER A 236 101, .554 23, .642 10, .789 1, ,00 30, .62 AAAA O

ATOM 1590 N SER A 237 101, .503 22, .880 12, .909 1. .00 32, .81 AAAA N

ATOM 1591 CA SER A 237 102, .493 23. .847 13, .360 1. ,00 32, .81 AAAA C

ATOM 1592 CB SER A 237 102. .573 23, .886 14, .887 1, ,00 46, .70 AAAA C

ATOM 1593 OG SER A 237 103, .023 22, .657 15. ,427 1. .00 46. .70 AAAA O

ATOM 1594 C SER A 237 103, .860 23, .515 12, .761 1. .00 32, ,81 AAAA C

ATOM 1595 O SER A 237 104, .828 24, .229 12. .975 1, .00 32, .81 AAAA O

ATOM 1596 N ILE A 238 103. .960 22, .424 12, .017 1, ,00 28, .01 AAAA N

ATOM 1597 CA ILE A 238 105. .232 22, .126 11, .388 1. .00 28, .01 AAAA C

ATOM 1598 CB ILE A 238 105, .314 20, .682 10, .837 1. .00 26, .53 AAAA C

ATOM 1599 CG2 ILE A 238 105, .158 19, .688 11, .962 1, .00 26, .53 AAAA C

ATOM 1600 CGI ILE A 238 104, .270 20 .478 9 .737 1, .00 26, .53 AAAA C

ATOM 1601 CD1 ILE A 238 104, .478 19, .209 8, .950 1, ,00 26, .53 AAAA C

ATOM 1602 C ILE A 238 105, .374 23. ,106 10. .210 1. .00 28. ,01 AAAA C

ATOM 1603 O ILE A 238 106. .474 23. .460 9, ,815 1, .00 28. .01 AAAA O

ATOM 1604 N ASP A 239 104 .256 23 .542 9 .646 1, .00 27 .95 AAAA N

ATOM 1605 CA ASP A 239 104, .326 24, .494 8 .550 1, .00 27, .95 AAAA C

ATOM 1606 CB ASP A 239 102, .947 24, .685 7 .903 1, .00 24, .93 AAAA C

ATOM 1607 CG ASP A 239 102, .538 23, .506 7, .016 1. .00 24, .93 AAAA C

ATOM 1608 ODl ASP A 239 103, .393 22, . 660 6 .704 1, .00 24, .93 AAAA O

ATOM 1609 OD2 ASP A 239 101 .362 23 .429 6 .610 1 .00 24 .93 AAAA O

ATOM 1610 C ASP A 239 104 .858 25, .830 9 .087 1, .00 27 .95 AAAA C

ATOM 1611 O ASP A 239 105 .709 26 .468 8 .467 1 .00 27 .95 AAAA O

ATOM 1612 N VAL A 240 104, .383 26, .231 10 .261 1, .00 35, .46 AAAA N

ATOM 1613 CA VAL A 240 104 .838 27, .475 10 .857 1, .00 35 .46 AAAA C ATOM 1614 CB VAL A 240 104.066 27.787 12.,162 1.,00 24.,35 AAAA C

ATOM 1615 CGI VAL A 240 104. ,686 28. 978 12. ,850 1. ,00 24, ,35 AAAA C

ATOM 1616 CG2 VAL A 240 102. ,590 28. 084 11. ,850 1. ,00 24. .35 AAAA C

ATOM 1617 C VAL A 240 106. 346 27. 434 11. 127 1. 00 35. 46 AAAA C

ATOM 1618 0 VAL A 240 107. ,043 28. 439 10. .944 1. 00 35. .46 AAAA O

ATOM 1619 N TRP A 241 106, .854 26. .283 11, .563 1. ,00 24. ,91 AAAA N

ATOM 1620 CA TRP A 241 108. .290 26, ,138 11, .804 1. .00 24. .91 AAAA C

ATOM 1621 CB TRP A 241 108. .641 24. .734 12. .339 1, .00 13. .25 AAAA C

ATOM 1622 CG TRP A 241 110. ,115 24. 443 12. ,267 1. ,00 13. .25 AAAA C

ATOM 1623 CD2 TRP A 241 111. ,077 24. 625 13. ,312 1. ,00 13. ,25 AAAA C

ATOM 1624 CE2 TRP A 241 112. .357 24. .344 12, .784 1, .00 13. .25 AAAA C

ATOM 1625 CE3 TRP A 241 110, .990 25, .015 14, .675 1. .00 13, .25 AAAA C

ATOM 1626 GDI TRP A 241 110, .826 24, .051 11, .149 1. ,00 13, .25 AAAA C

ATOM 1627 NE1 TRP A 241 112. .172 23, .996 11. .444 1, .00 13. .25 AAAA N

ATOM 1628 CZ2 TRP A 241 113. .539 24, .426 13. .532 1, .00 13. .25 AAAA C

ATOM 1629 CZ3 TRP A 241 112, .156 25. .114 15. .439 1. ,00 13. .25 AAAA C

ATOM 1630 CH2 TRP A 241 113. .421 24. .816 14. ,860 1, ,00 13. .25 AAAA C

ATOM 1631 C TRP A 241 108. .979 26. .314 10. .465 1. .00 24. .91 AAAA C

ATOM 1632 O TRP A 241 110. .024 26. ,970 10. .355 1, ,00 24. .91 AAAA O

ATOM 1633 N SER A 242 108. .394 25, .694 9. .447 1, ,00 33. .00 AAAA N

ATOM 1634 CA SER A 242 108. .945 25. .787 8. .109 1, .00 33, .00 AAAA C

ATOM 1635 CB SER A 242 108, ■ 111 24. .965 7. .138 1, .00 46, .44 AAAA C

ATOM 1636 OG SER A 242 108, .178 23, .596 7, .467 1, .00 46, .44 AAAA O

ATOM 1637 C SER A 242 108, .982 27. .238 7. .653 1. ,00 33, .00 AAAA C

ATOM 1638 O SER A 242 109, .972 27, .684 7, .087 1. ,00 33, .00 AAAA O

ATOM 1639 N ALA A 243 107, .890 27, .956 7, .896 1. .00 26 .82 AAAA N

ATOM 1640 CA ALA A 243 107 .774 29, .362 7, .524 1. .00 26 .82 AAAA C

ATOM 1641 CB ALA A 243 106 .376 29 .890 7 .850 1. .00 36 .01 AAAA C

ATOM 1642 C ALA A 243 108 .830 30 .170 8, .267 1, .00 26 .82 AAAA C

ATOM 1643 O ALA A 243 109 .445 31. .058 7, .699 1. ,00 26 .82 AAAA O

ATOM 1644 N GLY A 244 109 .040 29 .872 9 .538 1, .00 26 .76 AAAA N

ATOM 1645 CA GLY A 244 110 .069 30 .592 10 .254 1, .00 26 .76 AAAA C

ATOM 1646 C GLY A 244 111 .398 30 .405 9 .525 1, .00 26 .76 AAAA C

ATOM 1647 O GLY A 244 112 .196 31 .330 9 .429 1 .00 26 .76 AAAA O

ATOM 1648 N CYS A 245 111 .631 29 .191 9, .025 1, .00 27 .44 AAAA N

ATOM 1649 CA CYS A 245 112 .836 28 .852 8, .286 1, .00 27 .44 AAAA C

ATOM 1650 CB CYS A 245 112 .857 27 .369 7 .964 1, .00 29 .75 AAAA C

ATOM 1651 SG CYS A 245 113 .320 26 .359 9 .349 1, .00 29 .75 AAAA S

ATOM 1652 C CYS A 245 112 .973 29 .631 6 .991 1, .00 27 .44 AAAA C

ATOM 1653 O CYS A 245 114 .082 30 .011 6 .606 1, .00 27 .44 AAAA O

ATOM 1654 N VAL A 246 111 .861 29 .856 6 .306 1, .00 28 .70 AAAA N

ATOM 1655 CA VAL A 246 111 .915 30 .628 5 .070 1 .00 28 .70 AAAA C ATOM 1656 CB VAL A 246 110,.574 30.,614 4.,324 1.. 00 21..72 AAAA C

ATOM 1657 CGI VAL A 246 110. .643 31, ,551 3, .112 1, .00 21. ,72 AAAA C

ATOM 1658 CG2 VAL A 246 110, .243 29. .199 3. .898 1. .00 21. .72 AAAA C

ATOM 1659 C VAL A 246 112. .260 32. .081 5. .396 1, .00 28. .70 AAAA C

ATOM 1660 0 VAL A 246 113. .088 32. .702 4. .736 1, .00 28. .70 AAAA O

ATOM 1661 N LEU A 247 111. .596 32. ,612 6. ,414 1. ,00 33. ,01 AAAA N

ATOM 1662 CA LEU A 247 Ill, .820 33. .974 6. ,861 1. .00 33. ,01 AAAA C

ATOM 1663 CB LEU A 247 110. .985 34. .245 8. ,122 1. .00 30, .19 AAAA C

ATOM 1664 CG LEU A 247 110. .703 35. ,677 8. .610 1. ,00 30. .19 AAAA C

ATOM 1665 GDI LEU A 247 110. .798 35. ,706 10. ,120 1, ,00 30. ,19 AAAA C

ATOM 1666 CD2 LEU A 247 111. ,660 36, ,676 8. ,010 1, ,00 30, ,19 AAAA C

ATOM 1667 C LEU A 247 113, ,319 34. ,154 7. ,175 1. ,00 33. ,01 AAAA C

ATOM 1668 O LEU A 247 113, ,975 35. ,049 6. ,634 1. ,00 33, ,01 AAAA O

ATOM 1669 N ALA A 248 113. .848 33, .306 8. ,055 1. ,00 29. .77 AAAA N

ATOM 1670 CA ALA A 248 115, ,246 33. ,386 8. ,431 1, ,00 29, ,77 AAAA C

ATOM 1671 CB ALA A 248 115, ,624 32, ,186 9. ,316 1. ,00 47. ,89 AAAA C

ATOM 1672 C ALA A 248 116, .137 33. .432 7. .184 1. ,00 29. .77 AAAA C

ATOM 1673 O ALA A 248 117, .103 34. .196 7. .124 1, ,00 29. .77 AAAA O

ATOM 1674 N GLU A 249 115. .797 32. .622 6. .185 1. ,00 35. .85 AAAA N

ATOM 1675 CA GLU A 249 116, ,577 32, .555 4. ,953 1, .00 35. ,85 AAAA C

ATOM 1676 CB GLU A 249 116, .009 31, .490 4. .009 1. .00 40. ,33 AAAA C

ATOM 1677 CG GLU A 249 117, .076 30. .932 3, .083 1, .00 40. .33 AAAA C

ATOM 1678 CD GLU A 249 116. .579 29. .870 2, .116 1, .00 40, .33 AAAA C

ATOM 1679 OEl GLU A 249 115, .857 28, .936 2, .538 1, .00 40, .33 AAAA O

ATOM 1680 OE2 GLU A 249 116. .934 29. .965 0, .925 1. .00 40, .33 AAAA O

ATOM 1681 C GLU A 249 116, .660 33, .886 4, .204 1. .00 35, .85 AAAA C

ATOM 1682 O GLU A 249 117, .736 34, ,299 3, .767 1, .00 35, .85 AAAA O

ATOM 1683 N LEU A 250 115, .516 34, .541 4, .048 1, .00 37, .55 AAAA N

ATOM 1684 CA LEU A 250 115, .446 35 .804 3 .340 1, ,00 37. .55 AAAA C

ATOM 1685 CB LEU A 250 113, .989 36, .249 3, .249 1, .00 26. .95 AAAA C

ATOM 1686 CG LEU A 250 113, .130 35, .255 2, .453 1. ,00 26. .95 AAAA C

ATOM 1687 CD1 LEU A 250 111, .676 35, .678 2 .489 1. .00 26. .95 AAAA C

ATOM 1688 CD2 LEU A 250 113 .637 35 .166 1 .016 1 .00 26 .95 AAAA C

ATOM 1689 C LEU A 250 116 .311 36 .863 4 .016 1, .00 37 .55 AAAA C

ATOM 1690 O LEU A 250 116 .999 37 .641 3 .349 1, .00 37 .55 AAAA O

ATOM 1691 N LEU A 251 116 .303 36 .867 5 .341 1, .00 29 .32 AAAA N

ATOM 1692 CA LEU A 251 117 .102 37 .808 6 .089 1, .00 29 .32 AAAA C

ATOM 1693 CB LEU A 251 116 .631 37 .848 7 .543 1 .00 25 .22 AAAA C

ATOM 1694 CG LEU A 251 115 .161 38 .228 7 .795 1. .00 25 .22 AAAA C

ATOM 1695 CD1 LEU A 251 114 .814 37 .985 9 .251 1 .00 25 .22 AAAA C

ATOM 1696 CD2 LEU A 251 114 .921 39 .671 7 .422 1 .00 25 .22 AAAA C

ATOM 1697 C LEU A 251 118 .584 37 .447 6 .026 1, .00 29 .32 AAAA C ATOM 1698 0 LEU A 251 119.428 38.,322 5.,872 1.00 29.32 AAAA O

ATOM 1699 N LEU A 252 118. 910 36. ,161 6, ,134 1. ,00 32. 69 AAAA N

ATOM 1700 CA LEU A 252 120. .311 35. ,736 6. ,112 1. ,00 32. 69 AAAA C

ATOM 1701 CB LEU A 252 120. 476 34. ,356 6. ,734 1. 00 41. 39 AAAA C

ATOM 1702 CG LEU A 252 120. 249 34. 155 8. 231 1. 00 41. 39 AAAA C

ATOM 1703 CD1 LEU A 252 120. 385 32. ,668 8. ,525 1. 00 41. 39 AAAA C

ATOM 1704 CD2 LEU A 252 121. .244 34. .972 9. .050 1. ,00 41. ,39 AAAA C

ATOM 1705 C LEU A 252 120, ,900 35. ,704 4. .719 1, .00 32. ,69 AAAA C

ATOM 1706 O LEU A 252 122, .084 35, .965 4. .549 1, .00 32. .69 AAAA O

ATOM 1707 N GLY A 253 120. ,075 35, .388 3. .727 1, ,00 38. ,70 AAAA N

ATOM 1708 CA GLY A 253 120. ,561 35, .330 2. .364 1, ,00 38, ,70 AAAA C

ATOM 1709 C GLY A 253 120, ,980 33. .928 1. .973 1, .00 38. .70 AAAA C

ATOM 1710 O GLY A 253 121, ,635 33, ,720 0. .948 1, ,00 38. ,70 AAAA O

ATOM 1711 N GLN A 254 120. ,585 32. ,964 2, .797 1, ,00 50, ,47 AAAA N

ATOM 1712 CA GLN A 254 120, ,895 31, ,556 2, .586 1, .00 50. .47 AAAA C

ATOM 1713 CB GLN A 254 122, ,411 31. .368 2. .638 1, ,00 58. .14 AAAA C

ATOM 1714 CG GLN A 254 122, .907 30. .474 3. .737 1. .00 58. .14 AAAA C

ATOM 1715 CD GLN A 254 124, .279 30, .881 4. .231 1, .00 58. .14 AAAA C

ATOM 1716 OEl GLN A 254 124. ,458 31, .973 4. .761 1. ,00 58. .14 AAAA O

ATOM 1717 NE2 GLN A 254 125, ,253 30. .005 4. .062 1, .00 58. .14 AAAA N

ATOM 1718 C GLN A 254 120. .172 30. .774 3, .702 1. .00 50. .47 AAAA C

ATOM 1719 O GLN A 254 119. .885 31. .319 4, .763 1, .00 50. .47 AAAA O

ATOM 1720 N PRO A 255 119. .857 29. .492 3. .478 1. .00 43. .30 AAAA N

ATOM 1721 CD PRO A 255 120. .005 28, .636 2, .289 1. .00 30, .59 AAAA C

ATOM 1722 CA PRO A 255 119, .160 28, .790 4, .562 1. .00 43, .30 AAAA C

ATOM 1723 CB PRO A 255 118. . 992 27, .367 4. .010 1. . 00 30. .59 AAAA C

ATOM 1724 CG PRO A 255 119, .975 27 .275 2 .889 1, .00 30 .59 AAAA C

ATOM 1725 C PRO A 255 119 .796 28 .833 5 .957 1 .00 43 .30 AAAA C

ATOM 1726 O PRO A 255 121 .011 28 .863 6 .103 1 .00 43 .30 AAAA O

ATOM 1727 N ILE A 256 118 .950 28 .846 6 .982 1 .00 29 .66 AAAA N

ATOM 1728 CA ILE A 256 119 .411 28 .892 8 .363 1 .00 29 .66 AAAA C

ATOM 1729 CB ILE A 256 118 .305 29 .442 9 .298 1 .00 26 .63 AAAA C

ATOM 1730 CG2 ILE A 256 117 .036 28 .606 9 .162 1 .00 26 .63 AAAA C

ATOM 1731 CGI ILE A 256 118 .814 29 .463 10 .742 1 .00 26 .63 AAAA C

ATOM 1732 CD1 ILE A 256 118 .040 30 .376 11, .680 1, .00 26, .63 AAAA C

ATOM 1733 C ILE A 256 119 .897 27 .548 8 .903 1, .00 29 .66 AAAA C

ATOM 1734 O ILE A 256 120 .847 27 .499 9 .682 1 .00 29 .66 AAAA O

ATOM 1735 N PHE A 257 119 .257 26 .463 8 .483 1 .00 33 .65 AAAA N

ATOM 1736 CA PHE A 257 119 .635 25 .130 8 .935 1 .00 33 .65 AAAA C

ATOM 1737 CB PHE A 257 118 .512 24 .540 9 .775 1 .00 21 .31 AAAA C

ATOM 1738 CG PHE A 257 118 .108 25 .410 10 .923 1 .00 21 .31 AAAA C

ATOM 1739 CD1 PHE A 257 116 .773 25 .743 11 .125 1 .00 21 .31 AAAA C ATOM 1740 CD2 PHE A 257 119,,064 25.,876 11..819 1.,00 21.,31 AAAA C

ATOM 1741 CEl PHE A 257 116. ,394 26. ,529 12. ,214 1, ,00 21, ,31 AAAA C

ATOM 1742 CE2 PHE A 257 118. ,694 26. ,663 12. ,910 1, ,00 21, ,31 AAAA C

ATOM 1743 CZ PHE A 257 117. ,349 26. ,987 13. ,106 1, .00 21. ,31 AAAA C

ATOM 1744 C PHE A 257 119, ,929 24. .215 7, ,758 1, .00 33. ,65 AAAA C

ATOM 1745 O PHE A 257 119. ,079 23. ,445 7. ,324 1. ,00 33. ,65 AAAA O

ATOM 1746 N PRO A 258 121. ,152 24, ,287 7. ,224 1. ,00 35, ,82 AAAA N

ATOM 1747 CD PRO A 258 122. ,209 25. ,263 7. .551 1. ,00 20, .15 AAAA C

ATOM 1748 CA PRO A 258 121. ,543 23. .455 6. ,084 1. ,00 35. .82 AAAA C

ATOM 1749 CB PRO A 258 122, .529 24. .351 5. .358 1. .00 20. .15 AAAA C

ATOM 1750 CG PRO A 258 123, .288 24. .949 6, ,519 1, .00 20, .15 AAAA C

ATOM 1751 C PRO A 258 122. ,182 22. ,124 6, ,500 1. ,00 35, .82 AAAA C

ATOM 1752 0 PRO A 258 123, ,343 21, .878 6. .186 1. ,00 35, ,82 AAAA O

ATOM 1753 N GLY A 259 121, .427 21. .278 7, .205 1, .00 32. .83 AAAA N

ATOM 1754 CA GLY A 259 121. .949 19. .987 7, .647 1, .00 32. .83 AAAA C

ATOM 1755 C GLY A 259 122. .249 18, .994 6. .531 1, .00 32. .83 AAAA C

ATOM 1756 O GLY A 259 121. .540 18. .937 5, .532 1. ,00 32. ,83 AAAA O

ATOM 1757 N ASP A 260 123. .294 18. .193 6. .698 1. .00 47. ,03 AAAA N

ATOM 1758 CA ASP A 260 123. .661 17. .219 5. . 669 1. .00 47, ,03 AAAA C

ATOM 1759 CB ASP A 260 125, .132 16, .834 5, ,804 1. .00 43, .08 AAAA C

ATOM 1760 CG ASP A 260 126, .038 18, .033 5, .880 1, .00 43, .08 AAAA C

ATOM 1761 ODl ASP A 260 125. .638 19. .100 5, ,357 1. .00 43. ,08 AAAA O

ATOM 1762 OD2 ASP A 260 127. .148 17. .903 6, ,448 1. .00 43, .08 AAAA O

ATOM 1763 C ASP A 260 122, .821 15, .949 5, .703 1, .00 47, ,03 AAAA C

ATOM 1764 O ASP A 260 122, .707 15, .238 4, .709 1, .00 47. ,03 AAAA O

ATOM 1765 N SER A 261 122, .235 15, .670 6, .854 1, .00 41, ,31 AAAA N

ATOM 1766 CA SER A 261 121. .424 14, .482 7, .036 1. .00 41, .31 AAAA C

ATOM 1767 CB SER A 261 122. .303 13, .337 7, .545 1. .00 45, ,26 AAAA C

ATOM 1768 OG SER A 261 122, .997 13, .717 8 .719 1, .00 45, .26 AAAA O

ATOM 1769 C SER A 261 120, .366 14 .836 8 .062 1, .00 41, ,31 AAAA C

ATOM 1770 O SER A 261 120, .235 16 .004 8 .417 1, .00 41, .31 AAAA O

ATOM 1771 N GLY A 262 119. .617 13, .841 8, .531 1. . 00 47, .19 AAAA N

ATOM 1772 CA GLY A 262 118. .579 14, .086 9 .521 1. .00 47. .19 AAAA C

ATOM 1773 C GLY A 262 119, .166 14 .408 10 .883 1, .00 47, .19 AAAA C

ATOM 1774 O GLY A 262 118 .632 15 .224 11 .631 1 .00 47, .19 AAAA O

ATOM 1775 N VAL A 263 120 .282 13 .770 11 .198 1 .00 33 .45 AAAA N

ATOM 1776 CA VAL A 263 120 .945 13 .989 12 .466 1 .00 33, .45 AAAA C

ATOM 1777 CB VAL A 263 121 .963 12 .863 12 .766 1 .00 31, .32 AAAA C

ATOM 1778 CGI VAL A 263 122 .825 13 .250 13 .940 1 .00 31 .32 AAAA C

ATOM 1779 CG2 VAL A 263 121 .226 11 .571 13 .060 1 .00 31 .32 AAAA C

ATOM 1780 C VAL A 263 121 .681 15 .325 12 .469 1 .00 33 .45 AAAA C

ATOM 1781 O VAL A 263 121 .778 15 .980 13 .503 1. .00 33, .45 AAAA O ATOM 1782 N ASP A 264 122..210 15.,713 11..312 1.,00 34.,88 AAAA N

ATOM 1783 CA ASP A 264 122. .926 16. .976 11. .213 1, ,00 34. ,88 AAAA C

ATOM 1784 CB ASP A 264 123. ,746 17, ,050 9. ,922 1. . 00 39. ,75 AAAA C

ATOM 1785 CG ASP A 264 124. ,865 18. ,085 10, ,014 1. ,00 39. ,75 AAAA C

ATOM 1786 ODl ASP A 264 125. ,073 18. ,850 9. ,041 1. , 00 39. ,75 AAAA O

ATOM 1787 OD2 ASP A 264 125. .539 18. .130 11. .075 1. .00 39, .75 AAAA O

ATOM 1788 C ASP A 264 121. .919 18, .127 11, .269 1, ,00 34, .88 AAAA C

ATOM 1789 O ASP A 264 122. ,206 19. .199 11, .808 1, .00 34. .88 AAAA O

ATOM 1790 N GLN A 265 120. .732 17, .884 10. .722 1. .00 31. .11 AAAA N

ATOM 1791 CA GLN A 265 119, .676 18, ,884 10. .742 1. .00 31, .11 AAAA C

ATOM 1792 CB GLN A 265 118, .382 18. .293 10. .180 1. .00 36, .25 AAAA C

ATOM 1793 CG GLN A 265 117, ,325 19. .339 9. .884 1. .00 36. .25 AAAA C

ATOM 1794 CD GLN A 265 117. .865 20. .462 9. .011 1. .00 36. .25 AAAA C

ATOM 1795 OEl GLN A 265 118. ,597 20. .212 8. .045 1. .00 36. ,25 AAAA O

ATOM 1796 NE2 GLN A 265 117. .502 21. .706 9. .342 1. .00 36. .25 AAAA N

ATOM 1797 C GLN A 265 119. .478 19, .334 12, .197 1. .00 31. .11 AAAA C

ATOM 1798 0 GLN A 265 119, .407 20, .523 12. .482 1. .00 31. .11 AAAA O

ATOM 1799 N LEU A 266 119. .407 18. .370 13. .108 1. .00 31. .77 AAAA N

ATOM 1800 CA LEU A 266 119, .239 18. .663 14. .522 1. .00 31. .77 AAAA C

ATOM 1801 CB LEU A 266 119. .004 17. .371 15, .309 1. .00 24. .43 AAAA C

ATOM 1802 CG LEU A 266 118, .952 17, .531 16, .831 1. ,00 24. .43 AAAA C

ATOM 1803 GDI LEU A 266 117. .757 18. .392 17. .229 1. .00 24. ,43 AAAA C

ATOM 1804 CD2 LEU A 266 118, .876 16, .166 17, .484 1. .00 24, .43 AAAA C

ATOM 1805 C LEU A 266 120, .465 19, .381 15, .077 1, .00 31, .77 AAAA C

ATOM 1806 O LEU A 266 120 .343 20, .301 15, .880 1, .00 31, .77 AAAA O

ATOM 1807 N VAL A 267 121, .649 18, .949 14. .655 1. .00 34, .55 AAAA N

ATOM 1808 CA VAL A 267 122, .884 19, .567 15, .121 1. .00 34, .55 AAAA C

ATOM 1809 CB VAL A 267 124, .124 18, .864 14, .536 1, .00 30, .38 AAAA C

ATOM 1810 CGI VAL A 267 125, .372 19, .680 14. .827 1. . 00 30, .38 AAAA C

ATOM 1811 CG2 VAL A 267 124. .257 17, .483 15. .129 1. .00 30, .38 AAAA C

ATOM 1812 C VAL A 267 122 .907 21 .028 14, .703 1, .00 34 .55 AAAA C

ATOM 1813 O VAL A 267 123 .373 21 .894 15, .445 1, .00 34 .55 AAAA O

ATOM 1814 N GLU A 268 122 .399 21, .288 13, .503 1, .00 38 .44 AAAA N

ATOM 1815 CA GLU A 268 122 .337 22, .642 12, .969 1, .00 38 .44 AAAA C

ATOM 1816 CB GLU A 268 121 .897 22 .614 11, .507 1, .00 38 .79 AAAA C

ATOM 1817 CG GLU A 268 123 .022 22, .356 10. .530 1. .00 38 .79 AAAA C

ATOM 1818 CD GLU A 268 124 .053 23, .471 10, .534 1. ,00 38 . 19 AAAA C

ATOM 1819 OEl GLU A 268 123 .693 24, .643 10, .283 1, .00 38 . 19 AAAA O

ATOM 1820 OE2 GLU A 268 125 .235 23, .180 10. .790 1, .00 38 . 19 AAAA O

ATOM 1821 C GLU A 268 121 .349 23 .456 13 .793 1 .00 38 .44 AAAA C

ATOM 1822 O GLU A 268 121 .560 24 .638 14 .055 1, .00 38 .44 AAAA O

ATOM 1823 N ILE A 269 120 .266 22 .813 14 .201 1 .00 34 .91 AAAA N ATOM 1824 CA ILE A 269 119.264 23.,475 15.003 1.00 34.91 AAAA C

ATOM 1825 CB ILE A 269 117. ,993 22. ,596 15. ,083 1. 00 25. 55 AAAA C

ATOM 1826 CG2 ILE A 269 117, ,053 23, ,112 16, ,148 1, ,00 25, ,55 AAAA C

ATOM 1827 CGI ILE A 269 117. 329 22. ,549 13. 702 1. 00 25. 55 AAAA C

ATOM 1828 CD1 ILE A 269 116, .118 21, .638 13, ,607 1. .00 25. ,55 AAAA C

ATOM 1829 C ILE A 269 119, ,847 23, ,754 16. ,394 1, ,00 34. ,91 AAAA C

ATOM 1830 O ILE A 269 119. ,733 24. ,863 16. ,917 1. ,00 34. ,91 AAAA O

ATOM 1831 N ILE A 270 120. ,497 22. ,760 16. ,987 1. .00 34. ,22 AAAA N

ATOM 1832 CA ILE A 270 121, ,078 22. .947 18. ,307 1, .00 34. ,22 AAAA C

ATOM 1833 CB ILE A 270 121. ,791 21. ,664 18. ,796 1. 00 27. ,15 AAAA C

ATOM 1834 CG2 ILE A 270 122. ,500 21. .932 20, .098 1, ,00 27. ,15 AAAA C

ATOM 1835 CGI ILE A 270 120. .763 20. .539 18. .966 1, .00 27. ,15 AAAA C

ATOM 1836 CD1 ILE A 270 121, ,319 19. .234 19. .541 1. ,00 27, ,15 AAAA C

ATOM 1837 C ILE A 270 122, ,055 24. .124 18, .339 1. .00 34, .22 AAAA C

ATOM 1838 O ILE A 270 122. .144 24. .823 19. .345 1, ,00 34. ,22 AAAA O

ATOM 1839 N LYS A 271 122. ,776 24. .348 17, .243 1. ,00 40. ,20 AAAA N

ATOM 1840 CA LYS A 271 123, ,728 25. .455 17. .174 1. ,00 40. .20 AAAA C

ATOM 1841 CB LYS A 271 124, ,402 25. .500 15. .802 1. ,00 60. ,61 AAAA C

ATOM 1842 CG LYS A 271 125, .446 24. .421 15. .586 1, ,00 60, .61 AAAA C

ATOM 1843 CD LYS A 271 125. .929 24, .379 14, .141 1. .00 60, .61 AAAA C

ATOM 1844 CE LYS A 271 126, .461 25, .731 13, .690 1. .00 60. .61 AAAA C

ATOM 1845 NZ LYS A 271 126, .957 25, ,708 12, .277 1. .00 60, .61 AAAA N

ATOM 1846 C LYS A 271 123, .088 26, .820 17, .458 1. .00 40. .20 AAAA C

ATOM 1847 O LYS A 271 123. .767 27. .741 17. .914 1. .00 40. .20 AAAA O

ATOM 1848 N VAL A 272 121, .784 26, .944 17. .195 1. ,00 31. .42 AAAA N

ATOM 1849 CA VAL A 272 121, .072 28 .201 17, .413 1, .00 31, .42 AAAA C

ATOM 1850 CB VAL A 272 120, .200 28, .544 16, ,177 1, .00 22. .57 AAAA C

ATOM 1851 CGI VAL A 272 119, .426 29 .823 16, .406 1. .00 22, .57 AAAA C

ATOM 1852 CG2 VAL A 272 121 .084 28 .657 14 .940 1, .00 22 .57 AAAA C

ATOM 1853 C VAL A 272 120 .192 28 .167 18 .666 1, .00 31 .42 AAAA C

ATOM 1854 O VAL A 272 120, .361 28. .974 19, .580 1, .00 31 .42 AAAA O

ATOM 1855 N LEU A 273 119 .268 27 .213 18, .715 1, .00 36, .59 AAAA N

ATOM 1856 CA LEU A 273 118, .350 27, .105 19, .842 1, .00 36, .59 AAAA C

ATOM 1857 CB LEU A 273 117 .089 26 .325 19 .449 1 .00 28 .40 AAAA C

ATOM 1858 CG LEU A 273 116 .221 26 .682 18 .238 1 .00 28 .40 AAAA C

ATOM 1859 CD1 LEU A 273 114 .832 26 .062 18 .441 1, .00 28 .40 AAAA C

ATOM 1860 CD2 LEU A 273 116 .111 28 .202 18 .072 1 .00 28 .40 AAAA C

ATOM 1861 C LEU A 273 118 .948 26 .433 21 .059 1 .00 36 .59 AAAA C

ATOM 1862 O LEU A 273 118 .418 26 .541 22 .165 1, .00 36 .59 AAAA O

ATOM 1863 N GLY A 274 120 .053 25 .738 20 .868 1 .00 27 .95 AAAA N

ATOM 1864 CA GLY A 274 120 .630 25 .026 21 .985 1 .00 27 .95 AAAA C

ATOM 1865 C GLY A 274 119 .874 23 .711 22 .062 1 .00 27 .95 AAAA C ATOM 1866 O GLY A 274 119..119 23..388 21,.148 1.,00 27..95 AAAA O

ATOM 1867 N THR A 275 120. .062 22, .952 23. .138 1. ,00 32. ,20 AAAA N

ATOM 1868 CA THR A 275 119. ,380 21, .674 23. ,279 1. 00 32. ,20 AAAA C

ATOM 1869 CB THR A 275 120. ,158 20. ,732 24. ,200 1. 00 32. ,67 AAAA C

ATOM 1870 OG1 THR A 275 120. ,243 21. ,314 25. ,504 1. 00 32. ,67 AAAA O

ATOM 1871 CG2 THR A 275 121. .555 20, .493 23. ,667 1. ,00 32. ,67 AAAA C

ATOM 1872 C THR A 275 117, .976 21, .850 23, .851 1. ,00 32. .20 AAAA C

ATOM 1873 O THR A 275 117. ,714 22. .760 24. ,637 1. ,00 32. .20 AAAA O

ATOM 1874 N PRO A 276 117. ,048 20. .970 23. .467 1. ,00 41. ,02 AAAA N

ATOM 1875 CD PRO A 276 117, ,173 19. .719 22, ,709 1. ,00 29. .49 AAAA C

ATOM 1876 CA PRO A 276 115, ,699 21, .125 24. ,007 1. ,00 41. .02 AAAA C

ATOM 1877 CB PRO A 276 114, .882 20. .069 23, ,254 1. ,00 29. .49 AAAA C

ATOM 1878 CG PRO A 276 115, .792 19. .563 22. ,170 1, ,00 29. .49 AAAA C

ATOM 1879 C PRO A 276 115. ,720 20. .824 25. .499 1. ,00 41. .02 AAAA C

ATOM 1880 O PRO A 276 116. .645 20, .183 25. .997 1. .00 41, .02 AAAA O

ATOM 1881 N THR A 277 114, .705 21, .291 26. .213 1. .00 43, .13 AAAA N

ATOM 1882 CA THR A 277 114, .594 20, .997 27, .628 1. .00 43, .13 AAAA C

ATOM 1883 CB THR A 277 113, .912 22. .123 28. .397 1. .00 29, .61 AAAA C

ATOM 1884 OG1 THR A 277 112, .551 22. .230 27, ,955 1. .00 29. .61 AAAA O

ATOM 1885 CG2 THR A 277 114. .637 23. .439 28. ,184 1. ,00 29. .61 AAAA C

ATOM 1886 C THR A 277 113. .649 19. .799 27, .621 1. ,00 43, .13 AAAA C

ATOM 1887 O THR A 277 112, .968 19. .564 26. .619 1. ,00 43. .13 AAAA O

ATOM 1888 N ARG A 278 113, .599 19, .055 28, .723 1, .00 36, .71 AAAA N

ATOM 1889 CA ARG A 278 112, .729 17, .889 28, .814 1, .00 36, .71 AAAA C

ATOM 1890 CB ARG A 278 112, .845 17, .250 30, .197 1, .00 63 .23 AAAA C

ATOM 1891 CG ARG A 278 114, .235 16, .705 30, .479 1. .00 63, .23 AAAA C

ATOM 1892 CD ARG A 278 114, .275 15, .831 31, .719 1, .00 63, .23 AAAA C

ATOM 1893 NE ARG A 278 115, .501 15, .039 31, .755 1, .00 63 .23 AAAA N

ATOM 1894 CZ ARG A 278 115, .777 14, .052 30, .907 1. . 00 63, ,23 AAAA C

ATOM 1895 NHl ARG A 278 114, .913 13, .721 29. .952 1, .00 63, .23 AAAA N

ATOM 1896 NH2 ARG A 278 116 .928 13 .405 31 .005 1 .00 63 .23 AAAA N

ATOM 1897 C ARG A 278 111 .286 18 .272 28 .528 1 .00 36 .71 AAAA C

ATOM 1898 O ARG A 278 110 .588 17 .586 27 .774 1 .00 36 .71 AAAA O

ATOM 1899 N GLU A 279 110 .841 19 .371 29 .128 1 .00 43 .37 AAAA N

ATOM 1900 CA GLU A 279 109 .484 19, .851 28 .914 1 .00 43. .37 AAAA C

ATOM 1901 CB GLU A 279 109 .306 21 .220 29 .566 1 .00 98 .52 AAAA C

ATOM 1902 CG GLU A 279 107 .950 21, .877 29 .311 1 .00 98. .52 AAAA C

ATOM 1903 CD GLU A 279 106 .800 21 .127 29 .979 1 .00 98 .52 AAAA C

ATOM 1904 OEl GLU A 279 106 .777 21 .058 31 .235 1 .00 98 .52 AAAA O

ATOM 1905 OE2 GLU A 279 105 .920 20 .604 29 .249 1 .00 98 .52 AAAA O

ATOM 1906 C GLU A 279 109 .256 19 .967 27 .410 1 .00 43 .37 AAAA C

ATOM 1907 O GLU A 279 108 .239 19 .519 26 .888 1 .00 43 .37 AAAA O ATOM 1908 N GLN A 280 110.224 20.557 26.717 1.00 41.73 AAAA N

ATOM 1909 CA GLN A 280 110.138 20.745 25.270 1.00 41.73 AAAA C

ATOM 1910 CB GLN A 280 111. 315 21.610 24.775 1.00 38.34 AAAA C

ATOM 1911 CG GLN A 280 111.378 23.015 25.392 1.00 38.34 AAAA C

ATOM 1912 CD GLN A 280 112, 623 23.825 24.990 1.00 38.34 AAAA C

ATOM 1913 OEl GLN A 280 113, 759 23.357 25.091 1.00 38.34 AAAA O

ATOM 1914 NΞ2 GLN A 280 112.401 25.056 24.551 1.00 38.34 AAAA N

ATOM 1915 C GLN A 280 110.106 19.421 24.506 1.00 41.73 AAAA C

ATOM 1916 O GLN A 280 109, 316 19.238 23.582 1.00 41.73 AAAA O

ATOM 1917 N ILE A 281 110.982 18.503 24.879 1.00 34.90 AAAA N

ATOM 1918 CA ILE A 281 Ill, 033 17.202 24.220 1.00 34.90 AAAA C

ATOM 1919 CB ILE A 281 112.129 16.309 24.840 1.00 42.68 AAAA C

ATOM 1920 CG2 ILE A 281 112.112 14.939 24.173 1.00 42.68 AAAA C

ATOM 1921 CGI ILE A 281 113, 494 17.003 24.699 1.00 42.68 AAAA C

ATOM 1922 GDI ILE A 281 114, 600 16.350 25.502 1.00 42.68 AAAA C

ATOM 1923 C ILE A 281 109, 700 16.474 24.331 1.00 34.90 AAAA C

ATOM 1924 O ILE A 281 109.227 15.846 23.381 1.00 34.90 AAAA O

ATOM 1925 N ARG A 282 109.085 16.553 25.497 1.00 42.17 AAAA N

ATOM 1926 CA ARG A 282 107.819 15.866 25.668 1.00 42.17 AAAA C

ATOM 1927 CB ARG A 282 107.451 15.835 27.149 1.00 77.53 AAAA C

ATOM 1928 CG ARG A 282 108.417 14.920 27.921 1.00 77.53 AAAA C

ATOM 1929 CD ARG A 282 108.253 14.917 29.448 1.00 77.53 AAAA C

ATOM 1930 NE ARG A 282 108.861 16.080 30.099 1.00 77.53 AAAA N

ATOM 1931 CZ ARG A 282 108.848 16.296 31.412 1.00 77.53 AAAA C

ATOM 1932 NHl ARG A 282 108.257 15.425 32.220 1.00 77.53 AAAA N

ATOM 1933 NH2 ARG A 282 109.414 17.387 31.921 1.00 77.53 AAAA N

ATOM 1934 C ARG A 282 106.722 16.469 24.811 1.00 42.17 AAAA C

ATOM 1935 O ARG A 282 105.813 15.770 24.380 1.00 42.17 AAAA O

ATOM 1936 N GLU A 283 106.825 17.769 24.555 1.00 34.62 AAAA N

ATOM 1937 CA GLU A 283 105.869 18.490 23.713 1.00 34.62 AAAA C

ATOM 1938 CB GLU A 283 106.118 20.008 23.770 1.00 72.91 AAAA C

ATOM 1939 CG GLU A 283 105.814 20.718 25.081 1.00 72.91 AAAA C

ATOM 1940 CD GLU A 283 104.323 20.871 25.357 1.00 72.91 AAAA C

ATOM 1941 OEl GLU A 283 103.524 20.944 24.391 1.00 72.91 AAAA O

ATOM 1942 OE2 GLU A 283 103. 949 20.941 26.551 1.00 72.91 AAAA O

ATOM 1943 C GLU A 283 106.094 18.032 22.265 1.00 34.62 AAAA C

ATOM 1944 O GLU A 283 105.152 17.843 21.493 1.00 34.62 AAAA O

ATOM 1945 N MET A 284 107.363 17.895 21.898 1.00 40.19 AAAA N

ATOM 1946 CA MET A 284 107, 724 17.472 20.560 1.00 40.19 AAAA C

ATOM 1947 CB MET A 284 109, 242 17.589 20.351 1.00 33.61 AAAA C

ATOM 1948 CG MET A 284 109, 644 18.769 19.481 1.00 33.61 AAAA C

ATOM 1949 SD MET A 284 111.320 19.447 19.715 1.00 33.61 AAAA S ATOM 1950 CE MET A 284 112.,245 18.,088 19..617 1.,00 33.,61 AAAA C

ATOM 1951 C MET A 284 107. .262 16. .048 20. .316 1. .00 40. ,19 AAAA C

ATOM 1952 O MET A 284 106. .546 15. .784 19. .357 1. .00 40. ,19 AAAA O

ATOM 1953 N ASN A 285 107. 663 15. 133 21. ,194 1. 00 28. 67 AAAA N

ATOM 1954 CA ASN A 285 107. 289 13. 733 21. 053 1. 00 28. 67 AAAA C

ATOM 1955 CB ASN A 285 108. 348 12. .975 20. ,249 1. 00 34. 65 AAAA C

ATOM 1956 CG ASN A 285 107. .954 11. ,527 19. ,980 1. ,00 34. ,65 AAAA C

ATOM 1957 ODl ASN A 285 107. .150 10, .944 20. .712 1. ,00 34, .65 AAAA O

ATOM 1958 ND2 ASN A 285 108. ,532 10. .938 18. .931 1. ,00 34. .65 AAAA N

ATOM 1959 C ASN A 285 107. ,131 13, .063 22. .410 1. .00 28. .67 AAAA C

ATOM 1960 O ASN A 285 108, .100 12. ,606 23. ,001 1. .00 28. ,67 AAAA O

ATOM 1961 N PRO A 286 105. .894 12. ,967 22. .903 1. .00 41. ,16 AAAA N

ATOM 1962 CD PRO A 286 104. .655 13. .290 22, .174 1. .00 59. .19 AAAA C

ATOM 1963 CA PRO A 286 105. .589 12. .350 24, .197 1. .00 41. .16 AAAA C

ATOM 1964 CB PRO A 286 104. .056 12, .363 24, .236 1, .00 59, .19 AAAA C

ATOM 1965 CG PRO A 286 103, .677 13, .468 23, .292 1. .00 59, .19 AAAA C

ATOM 1966 C PRO A 286 106. ,142 10. ,926 24. .336 1. .00 41, .16 AAAA C

ATOM 1967 O PRO A 286 106, .298 10. .422 25, .442 1. .00 41. .16 AAAA O

ATOM 1968 N ASN A 287 106. .441 10. ,278 23. .215 1. ,00 54. .77 AAAA N

ATOM 1969 CA ASN A 287 106. .948 8. .912 23. .249 1, ,00 54. .77 AAAA C

ATOM 1970 CB ASN A 287 106. ,266 8. .079 22, .159 1, ,00 75. .43 AAAA C

ATOM 1971 CG ASN A 287 104. .807 7, .791 22, .477 1. .00 75. .43 AAAA C

ATOM 1972 ODl ASN A 287 104, .018 8, .704 22, .721 1. .00 75, .43 AAAA O

ATOM 1973 ND2 ASN A 287 104, .443 6, .512 22, .480 1. .00 75, .43 AAAA N

ATOM 1974 C ASN A 287 108, .462 8, .772 23 .137 1. .00 54, .77 AAAA C

ATOM 1975 O ASN A 287 108, .984 7, .655 23 .120 1, .00 54, .77 AAAA O

ATOM 1976 N TYR A 288 109, .180 9, .884 23 .059 1, .00 39 .93 AAAA N

ATOM 1977 CA TYR A 288 110 .626 9, .788 22 .976 1, ,00 39 .93 AAAA C

ATOM 1978 CB TYR A 288 111 .213 10 .878 22 .077 1, .00 32 .58 AAAA C

ATOM 1979 CG TYR A 288 112 .730 10 .877 22 .055 1, .00 32 .58 AAAA C

ATOM 1980 CD1 TYR A 288 113 .448 11 .715 22 .886 1, .00 32 .58 AAAA C

ATOM 1981 CEl TYR A 288 114 .838 11 .661 22 .936 1 .00 32 .58 AAAA C

ATOM 1982 CD2 TYR A 288 113 .438 9 .972 21 .254 1 .00 32 .58 AAAA C

ATOM 1983 CE2 TYR A 288 114 .835 9 .900 21 .295 1 .00 32 .58 AAAA C

ATOM 1984 CZ TYR A 288 115 .533 10 .750 22 .144 1 .00 32 .58 AAAA C

ATOM 1985 OH TYR A 288 116 .916 10 .701 22 .213 1 .00 32 .58 AAAA O

ATOM 1986 C TYR A 288 111 .211 9 .893 24 .378 1 .00 39 .93 AAAA C

ATOM 1987 O TYR A 288 110 .688 10 .611 25 .224 1 .00 39 .93 AAAA O

ATOM 1988 N THR A 289 112 .296 9 .160 24 .604 1 .00 37 .75 AAAA N

ATOM 1989 CA THR A 289 112 .968 9 .115 25 .887 1 .00 37 .75 AAAA C

ATOM 1990 CB THR A 289 112 .630 7 .809 26 .666 1 .00 44 .16 AAAA C

ATOM 1991 OG1 THR A 289 111 .237 7 .768 26 .975 1 .00 44 .16 AAAA O ATOM 1992 CG2 THR A 289 113.,424 7,.732 27.,958 1.,00 44.,16 AAAA C

ATOM 1993 C THR A 289 114. ,478 9. ,132 25. ,733 1. ,00 37. ,75 AAAA C

ATOM 1994 O THR A 289 115. 039 8. ,440 24. ,881 1. 00 37. 75 AAAA O

ATOM 1995 N GLU A 290 115. .122 9. ,932 26, ,571 1. ,00 46. ,08 AAAA N

ATOM 1996 CA GLU A 290 116, ,570 10. .017 26, .625 1. ,00 46. ,08 AAAA C

ATOM 1997 CB GLU A 290 117. ,112 11, ,125 25, .714 1. ,00 48. ,07 AAAA C

ATOM 1998 CG GLU A 290 118. ,631 11. ,049 25. .549 1. ,00 48. ,07 AAAA C

ATOM 1999 CD GLU A 290 119. ,160 11. ,703 24, .270 1. ,00 48. ,07 AAAA C

ATOM 2000 OEl GLU A 290 120. .400 11. .729 24, .099 1, .00 48. ,07 AAAA O

ATOM 2001 OE2 GLU A 290 118. ,356 12, .181 23. ,437 1. ,00 48. ,07 AAAA O

ATOM 2002 C GLU A 290 116. ,816 10. .313 28. ,104 1. ,00 46. ,08 AAAA C

ATOM 2003 O GLU A 290 116. .452 11. .382 28. .615 1, .00 46. ,08 AAAA O

ATOM 2004 N PHE A 291 117. .398 9. .342 28. .801 1. .00 45. .52 AAAA N

ATOM 2005 CA PHE A 291 117. .638 9, .485 30. .230 1, .00 45. .52 AAAA C

ATOM 2006 CB PHE A 291 118. .050 8, .137 30. .829 1, ,00 43. .60 AAAA C

ATOM 2007 CG PHE A 291 117. .025 7, .061 30, .628 1, ,00 43. .60 AAAA C

ATOM 2008 CD1 PHE A 291 117, ,243 6. .033 29. ,717 1. ,00 43. .60 AAAA C

ATOM 2009 CD2 PHE A 291 115. .804 7, .120 31, ,293 1. ,00 43. . 60 AAAA C

ATOM 2010 CEl PHE A 291 116. .251 5. .072 29. .461 1, ,00 43. .60 AAAA C

ATOM 2011 CE2 PHE A 291 114. .803 6. .167 31. ,049 1. ,00 43. .60 AAAA C

ATOM 2012 CZ PHE A 291 115, .028 5, .138 30, .125 1. .00 43, .60 AAAA C

ATOM 2013 C PHE A 291 118, .634 10, .560 30, .614 1. .00 45. .52 AAAA C

ATOM 2014 O PHE A 291 118, .545 11, .126 31, ,704 1. .00 45, .52 AAAA O

ATOM 2015 N LYS A 292 119, .565 10, .859 29. .719 1. .00 45. .04 AAAA N

ATOM 2016 CA LYS A 292 120, .558 11, .872 30, ,010 1. .00 45, .04 AAAA C

ATOM 2017 CB LYS A 292 121, .630 11, .288 30, .930 1. .00 90. .64 AAAA C

ATOM 2018 CG LYS A 292 122, .633 12, .312 31, ,441 1. .00 90. .64 AAAA C

ATOM 2019 CD LYS A 292 123, .705 11, .674 32, .342 1. .00 90. .64 AAAA C

ATOM 2020 CE LYS A 292 124 .684 12 .727 32 .889 1, .00 90, .64 AAAA C

ATOM 2021 NZ LYS A 292 125 .775 12 .157 33 .752 1, .00 90, .64 AAAA N

ATOM 2022 C LYS A 292 121 .190 12 .408 28, .727 1, .00 45, .04 AAAA C

ATOM 2023 O LYS A 292 121 .325 11 .691 27 .740 1, .00 45. .04 AAAA O

ATOM 2024 N PHE A 293 121 .549 13 .685 28 .743 1, .00 37 .27 AAAA N

ATOM 2025 CA PHE A 293 122 .180 14 .321 27 .596 1, .00 37 .27 AAAA C

ATOM 2026 CB PHE A 293 121 .176 14 .500 26 .439 1, .00 41 .57 AAAA C

ATOM 2027 CG PHE A 293 120 .042 15 .432 26 .738 1, .00 41 .57 AAAA C

ATOM 2028 GDI PHE A 293 120 .216 16 .813 26 .653 1, .00 41 .57 AAAA C

ATOM 2029 CD2 PHE A 293 118 .801 14 .933 27 .109 1, .00 41 .57 AAAA C

ATOM 2030 CEl PHE A 293 119 .167 17 .679 26 .939 1, .00 41 .57 AAAA C

ATOM 2031 CE2 PHE A 293 117 .738 15 .793 27 .400 1. .00 41 .57 AAAA C

ATOM 2032 CZ PHE A 293 117 .916 17 .164 27 .317 1, .00 41 .57 AAAA C

ATOM 2033 C PHE A 293 122 .764 15 .651 28 .038 1, .00 37 .27 AAAA C ATOM 2034 O PHE A 293 122..195 16..346 28..873 1..00 37,,27 AAAA O

ATOM 2035 N PRO A 294 123. .925 16, .009 27, .492 1. .00 35. .46 AAAA N

ATOM 2036 CD PRO A 294 124, .611 15, .361 26, .362 1, ,00 27, .42 AAAA C

ATOM 2037 CA PRO A 294 124. .580 17, .262 27. .851 1. ,00 35. .46 AAAA C

ATOM 2038 CB PRO A 294 125. .918 17, .153 27. .135 1. .00 27. .42 AAAA C

ATOM 2039 CG PRO A 294 125, .554 16. .446 25, .878 1. .00 27. .42 AAAA C

ATOM 2040 C PRO A 294 123, .752 18, .450 27. .393 1, .00 35, .46 AAAA C

ATOM 2041 O PRO A 294 123. .400 18. .554 26. .227 1, .00 35, .46 AAAA O

ATOM 2042 N GLN A 295 123. .429 19. .342 28, .316 1. .00 55. .56 AAAA N

ATOM 2043 CA GLN A 295 122. .633 20, .500 27. .970 1. .00 55, .56 AAAA C

ATOM 2044 CB GLN A 295 121. .814 20, .933 29. .183 1. .00 79. .66 AAAA C

ATOM 2045 CG GLN A 295 120, .649 19, .983 29, .408 1. .00 79, .66 AAAA C

ATOM 2046 CD GLN A 295 119. .822 20, .307 30, .630 1. .00 79. .66 AAAA C

ATOM 2047 OEl GLN A 295 119, .732 21, .460 31, .049 1. .00 79, .66 AAAA O

ATOM 2048 NE2 GLN A 295 119, ,194 19, .285 31, .201 1. .00 79, .66 AAAA N

ATOM 2049 C GLN A 295 123, .457 21, .653 27, .405 1. .00 55, .56 AAAA C

ATOM 2050 O GLN A 295 124, .390 22, .143 28, .030 1, .00 55, ,56 AAAA O

ATOM 2051 N ILE A 296 123, .111 22, .055 26, .190 1, .00 55, .17 AAAA N

ATOM 2052 CA ILE A 296 123. ,788 23. .138 25. .512 1. .00 55, ,17 AAAA C

ATOM 2053 CB ILE A 296 124. .245 22. .704 24. .117 1. .00 48, .42 AAAA C

ATOM 2054 CG2 ILE A 296 124, ,526 23. .925 23. .267 1. ,00 48. .42 AAAA C

ATOM 2055 CGI ILE A 296 125. ,472 21. .797 24, .243 1, ,00 48. .42 AAAA C

ATOM 2056 CD1 ILE A 296 126. .037 21, .319 22, .928 1. ,00 48. .42 AAAA C

ATOM 2057 C ILE A 296 122. .845 24, .333 25, .415 1. .00 55, .17 AAAA C

ATOM 2058 O ILE A 296 121, .659 24, .193 25, .096 1, ,00 55. .17 AAAA O

ATOM 2059 N LYS A 297 123, .389 25, .511 25, .686 1, .00 45, .71 AAAA N

ATOM 2060 CA LYS A 297 122, .617 26, .741 25, .692 1, .00 45, .71 AAAA C

ATOM 2061 CB LYS A 297 123, .279 27, .714 26, .664 1, .00 68, .98 AAAA C

ATOM 2062 CG LYS A 297 122, .475 28, .942 27 .003 1, .00 68, .98 AAAA C

ATOM 2063 CD LYS A 297 123. .230 29 , .795 28, . 009 1. , 00 68 . . 98 AAAA C

ATOM 2064 CE LYS A 297 123. .561 29, .004 29, .273 1, ,00 68. .98 AAAA C

ATOM 2065 NZ LYS A 297 124, .144 29, .875 30, .335 1. ,00 68. .98 AAAA N

ATOM 2066 C LYS A 297 122, .435 27. .394 24 .320 1, ,00 45, .71 AAAA C

ATOM 2067 O LYS A 297 123, .292 27. .288 23 .440 1, ,00 45, .71 AAAA O

ATOM 2068 N ALA A 298 121. .306 28. .074 24, .151 1. ,00 47. .79 AAAA N

ATOM 2069 CA ALA A 298 120, .986 28 .743 22 .898 1, ,00 47, .79 AAAA C

ATOM 2070 CB ALA A 298 119 .549 29 .203 22 .921 1, .00 31 .43 AAAA C

ATOM 2071 C ALA A 298 121 .881 29 .928 22 .613 1, .00 47 .79 AAAA C

ATOM 2072 O ALA A 298 122 .445 30 .530 23 .523 1, .00 47 .79 AAAA O

ATOM 2073 N HIS A 299 122 .007 30 .253 21 .334 1 .00 36 .19 AAAA N

ATOM 2074 CA HIS A 299 122 .794 31 .401 20 .898 1 .00 36 .19 AAAA C

ATOM 2075 CB HIS A 299 123 .457 31 .137 19 .541 1, .00 59 .47 AAAA C ATOM 2076 CG HIS A 299 124..916 30,.808 19,.629 1,,00 59.,47 AAAA C

ATOM 2077 CD2 HIS A 299 126. ,013 31. .540 19. .319 1. ,00 59. .47 AAAA C

ATOM 2078 NDl HIS A 299 125. .382 29, .591 20. .079 1. ,00 59, .47 AAAA N

ATOM 2079 CEl HIS A 299 126, ,704 29. .585 20. ,040 1. ,00 59, .47 AAAA C

ATOM 2080 NE2 HIS A 299 127. ,112 30. ,755 19. .582 1. . 00 59. ,47 AAAA N

ATOM 2081 C HIS A 299 121. ,840 32, .584 20. .751 1. ,00 36. .19 AAAA C

ATOM 2082 O HIS A 299 120, ,656 32. .417 20. .444 1. ,00 36, ,19 AAAA O

ATOM 2083 N PRO A 300 122. ,346 33. .798 20. .967 1. ,00 32, ,13 AAAA N

ATOM 2084 CD PRO A 300 123. ,718 34, .095 21. .410 1. ,00 47. ,81 AAAA C

ATOM 2085 CA PRO A 300 121. ,541 35. .022 20. .855 1, ,00 32. ,13 AAAA C

ATOM 2086 CB PRO A 300 122. .544 36, .130 21, .161 1, .00 47, .81 AAAA C

ATOM 2087 CG PRO A 300 123, .550 35 .451 22, .060 1. ,00 47, .81 AAAA C

ATOM 2088 C PRO A 300 120. .958 35, .179 19, .457 1, .00 32, .13 AAAA C

ATOM 2089 O PRO A 300 121. .691 35, .143 18, .466 1. .00 32. .13 AAAA O

ATOM 2090 N TRP A 301 119. .643 35, .353 19, .377 1, ,00 39, .18 AAAA N

ATOM 2091 CA TRP A 301 119, .000 35 .539 18, .089 1. .00 39, ,18 AAAA C

ATOM 2092 CB TRP A 301 117, .492 35, .648 18, .257 1. .00 36, .74 AAAA C

ATOM 2093 CG TRP A 301 116, .752 34, .350 18, .318 1. .00 36, ,74 AAAA C

ATOM 2094 CD2 TRP A 301 116, .566 33 .412 17, .258 1. .00 36, .74 AAAA c

ATOM 2095 CE2 TRP A 301 115, .703 32, .404 17, .728 1. .00 36, ,74 AAAA c

ATOM 2096 CE3 TRP A 301 117, .051 33, .320 15, .939 1. .00 36, ,74 AAAA c

ATOM 2097 GDI TRP A 301 116, .018 33. .882 19, .371 1. .00 36, .74 AAAA c

ATOM 2098 NE1 TRP A 301 115, .383 32. .724 19, .030 1. .00 36, .74 AAAA N

ATOM 2099 CZ2 TRP A 301 115, .295 31, .323 16, .949 1. .00 36, .74 AAAA C

ATOM 2100 CZ3 TRP A 301 116. .651 32, .239 15. .148 1. .00 36. .74 AAAA C

ATOM 2101 CH2 TRP A 301 115. .779 31, .253 15. .662 1, ,00 36. .74 AAAA C

ATOM 2102 C TRP A 301 119, .517 36, .805 17, ,391 1, ,00 39, .18 AAAA c

ATOM 2103 O TRP A 301 119, .493 36, .899 16, ,167 1. ,00 39. .18 AAAA 0

ATOM 2104 N THR A 302 119, .986 37, .779 18. .163 1. .00 34, .47 AAAA N

ATOM 2105 CA THR A 302 120, .497 39, .001 17, .553 1. .00 34, .47 AAAA C

ATOM 2106 CB THR A 302 120, .593 40, .146 18, .555 1, .00 36, .71 AAAA C

ATOM 2107 OG1 THR A 302 121 .093 39 .649 19 .798 1, .00 36 .71 AAAA 0

ATOM 2108 CG2 THR A 302 119 .234 40 .787 18 .754 1, ,00 36. .71 AAAA c

ATOM 2109 C THR A 302 121 .853 38 .855 16, .885 1, .00 34. .47 AAAA c

ATOM 2110 O THR A 302 122. .290 39 .754 16, .173 1. .00 34, .47 AAAA 0

ATOM 2111 N LYS A 303 122, .536 37, .743 17, .123 1. .00 41, .21 AAAA N

ATOM 2112 CA LYS A 303 123 .836 37 .540 16 .499 1, .00 41 .21 AAAA C

ATOM 2113 CB LYS A 303 124, .891 37 .201 17, .555 1, ,00 61, .72 AAAA C

ATOM 2114 CG LYS A 303 125, .158 38, .375 18, .511 1. .00 61, .72 AAAA C

ATOM 2115 CD LYS A 303 125 .257 39 .708 17 .755 1, .00 61 .72 AAAA c

ATOM 2116 CE LYS A 303 125 .089 40 .923 18 .665 1, .00 61 .72 AAAA c

ATOM 2117 NZ LYS A 303 125 .033 42 .194 17 .846 1 .00 61 .72 AAAA N ATOM 2118 C LYS A 303 123..773 36..473 15.,406 1.,00 41..21 AAAA C

ATOM 2119 O LYS A 303 124. .752 36, ,237 14. ,696 1. ,00 41. .21 AAAA O

ATOM 2120 N VAL A 304 122. .608 35. ,843 15. ,261 1. ,00 39. .95 AAAA N

ATOM 2121 CA VAL A 304 122, ,426 34. ,841 14. ,215 1. ,00 39, .95 AAAA C

ATOM 2122 CB VAL A 304 121. .153 33, ,999 14, ,428 1. ,00 33, .56 AAAA C

ATOM 2123 CGI VAL A 304 120. .918 33, .119 13. .238 1. .00 33, .56 AAAA c

ATOM 2124 CG2 VAL A 304 121. .299 33. .132 15. .655 1. ,00 33. .56 AAAA c

ATOM 2125 C VAL A 304 122, ,315 35. ,576 12. .887 1, .00 39. .95 AAAA c

ATOM 2126 O VAL A 304 122, .834 35. ,116 11. .874 1. ,00 39. .95 AAAA 0

ATOM 2127 N PHE A 305 121. ,653 36. .732 12, .901 1. ,00 31, .26 AAAA N

ATOM 2128 CA PHE A 305 121, .484 37. .538 11, .688 1. ,00 31 .26 AAAA C

ATOM 2129 CB PHE A 305 120, .062 38, .115 11, .620 1. ,00 25 .24 AAAA C

ATOM 2130 CG PHE A 305 118, ,977 37, .083 11, .758 1. .00 25 .24 AAAA C

ATOM 2131 CD1 PHE A 305 118, .477 36. .751 13, .003 1. .00 25, .24 AAAA C

ATOM 2132 CD2 PHE A 305 118. .464 36, ,431 10. ,636 1. ,00 25, .24 AAAA C

ATOM 2133 CEl PHE A 305 117. .491 35. ,795 13. .139 1, ,00 25, .24 AAAA C

ATOM 2134 CE2 PHE A 305 117. .468 35. .464 10. .764 1, ,00 25, .24 AAAA C

ATOM 2135 CZ PHE A 305 116. .985 35. .149 12. .019 1. ,00 25, .24 AAAA c

ATOM 2136 C PHE A 305 122. .500 38. .681 11. .644 1. .00 31, .26 AAAA c

ATOM 2137 0 PHE A 305 123. .123 39. .001 12. .655 1, .00 31, .26 AAAA 0

ATOM 2138 N ARG A 306 122. .660 39. .292 10, .470 1. .00 42, .13 AAAA N

ATOM 2139 CA ARG A 306 123. .598 40. .394 10, .320 1. .00 42, .13 AAAA C

ATOM 2140 CB ARG A 306 123, .790 40, .766 8, .846 1. .00 70, .64 AAAA C

ATOM 2141 CG ARG A 306 122, .668 41. .582 8, .216 1. .00 70 .64 AAAA C

ATOM 2142 CD ARG A 306 123, ,037 42, .068 6, .807 1. .00 70 .64 AAAA C

ATOM 2143 NE ARG A 306 122, .762 41, .084 5, .757 1. .00 70 .64 AAAA N

ATOM 2144 CZ ARG A 306 123, .333 39, .882 5, .661 1. .00 70 .64 AAAA C

ATOM 2145 NHl ARG A 306 124, .232 39, .484 6, .551 1, ,00 70 .64 AAAA N

ATOM 2146 NH2 ARG A 306 122, .998 39, .065 4 .669 1. .00 70 .64 AAAA N

ATOM 2147 C ARG A 306 123, .049 41, .583 11 .090 1. .00 42 .13 AAAA C

ATOM 2148 O ARG A 306 121, .843 41, .702 11 .287 1. .00 42 .13 AAAA O

ATOM 2149 N PRO A 307 123, .933 42, .487 11 .525 1. .00 40 .55 AAAA N

ATOM 2150 CD PRO A 307 125, .377 42, .451 11 .217 1. .00 38 .05 AAAA C

ATOM 2151 CA PRO A 307 123 .591 43, .690 12 .290 1, .00 40 .55 AAAA C

ATOM 2152 CB PRO A 307 124 .897 44, .486 12 .275 1, .00 38 .05 AAAA C

ATOM 2153 CG PRO A 307 125, .956 43. .409 12 .223 1. .00 38 .05 AAAA C

ATOM 2154 C PRO A 307 122, .400 44, .533 11 .811 1. ,00 40 .55 AAAA C

ATOM 2155 O PRO A 307 121, .514 44, .866 12 .601 1, .00 40 .55 AAAA O

ATOM 2156 N ARG A 308 122, .368 44, .896 10 .535 1, .00 54 .61 AAAA N

ATOM 2157 CA ARG A 308 121, .280 45, .736 10 .044 1, .00 54 .61 AAAA c

ATOM 2158 CB ARG A 308 121 .669 46, .415 8 .728 1, .00 75 .10 AAAA c

ATOM 2159 CG ARG A 308 122 .773 47, .459 8 .847 1, .00 75 .10 AAAA c ATOM 2160 CD ARG A 308 124.,106 46.,798 9.,110 1.00 75.,10 AAAA C

ATOM 2161 NE ARG A 308 124. .442 45. ,841 8. ,053 1. 00 75, ,10 AAAA N

ATOM 2162 CZ ARG A 308 125. ,517 45. .065 8. .073 1. ,00 75, ,10 AAAA C

ATOM 2163 NHl ARG A 308 126. ,353 45. ,134 9. .103 1. 00 75, ,10 AAAA N

ATOM 2164 NH2 ARG A 308 125. ,762 44, ,238 7. .064 1. ,00 75, ,10 AAAA N

ATOM 2165 C ARG A 308 119. ,963 45. ,014 9. .863 1. ,00 54. ,61 AAAA C

ATOM 2166 O ARG A 308 119. ,077 45. ,496 9. .167 1. ,00 54. .61 AAAA O

ATOM 2167 N THR A 309 119. ,813 43. .862 10. .496 1. ,00 45. ,78 AAAA N

ATOM 2168 CA THR A 309 118. ,564 43. .128 10. .369 1. ,00 45. ,78 AAAA C

ATOM 2169 CB THR A 309 118. ,732 41. ,665 10. .824 1. ,00 45. ,33 AAAA C

ATOM 2170 OG1 THR A 309 119. ,616 40. .984 9. .925 1. .00 45. .33 AAAA O

ATOM 2171 CG2 THR A 309 117. .388 40. .954 10. .855 1. ,00 45. .33 AAAA C

ATOM 2172 C THR A 309 117. .483 43. .807 11. .215 1. .00 45. .78 AAAA C

ATOM 2173 O THR A 309 117. .686 44, .081 12, .401 1, .00 45, .78 AAAA O

ATOM 2174 N PRO A 310 116. .323 44. .115 10, .608 1, ,00 36. .60 AAAA N

ATOM 2175 CD PRO A 310 115. .928 44, .071 9, .191 1. .00 32, .19 AAAA C

ATOM 2176 CA PRO A 310 115, .290 44, .760 11, .420 1. .00 36, .60 AAAA C

ATOM 2177 CB PRO A 310 114. .175 45. .043 10, .411 1. .00 32, .19 AAAA C

ATOM 2178 CG PRO A 310 114. .433 44, .069 9, .286 1. .00 32, .19 AAAA C

ATOM 2179 C PRO A 310 114. .848 43. .887 12, .601 1. .00 36. ,60 AAAA C

ATOM 2180 O PRO A 310 114. .412 42, .753 12, .433 1. ,00 36, .60 AAAA O

ATOM 2181 N PRO A 311 114, .962 44, .430 13, .818 1. .00 39, .30 AAAA N

ATOM 2182 CD PRO A 311 115. .222 45, .873 13, .966 1. .00 39. .74 AAAA C

ATOM 2183 CA PRO A 311 114. .634 43, .849 15, .124 1. ,00 39, .30 AAAA C

ATOM 2184 CB PRO A 311 114, .532 45, .084 16, .018 1. .00 39, .74 AAAA C

ATOM 2185 CG PRO A 311 115. .520 45, .987 15, .426 1. .00 39, .74 AAAA C

ATOM 2186 C PRO A 311 113, .358 43, .027 15 .154 1. .00 39, .30 AAAA C

ATOM 2187 O PRO A 311 113. .301 41, .976 15, .767 1. ,00 39, .30 AAAA O

ATOM 2188 N GLU A 312 112, .331 43, .538 14 .500 1. .00 36, .08 AAAA N

ATOM 2189 CA GLU A 312 111, .043 42 .881 14 .457 1, .00 36 .08 AAAA C

ATOM 2190 CB GLU A 312 110, .020 43. .822 13 .861 1, .00 60. .94 AAAA C

ATOM 2191 CG GLU A 312 109, .746 44 .996 14 .723 1, .00 60 .94 AAAA C

ATOM 2192 CD GLU A 312 108 .880 46 .010 14 .025 1, .00 60 .94 AAAA C

ATOM 2193 OEl GLU A 312 108 .005 46 .584 14 .704 1 .00 60 .94 AAAA O

ATOM 2194 OE2 GLU A 312 109 .075 46 .233 12 .803 1, .00 60 .94 AAAA O

ATOM 2195 C GLU A 312 111 .073 41 .595 13 .660 1, .00 36 .08 AAAA C

ATOM 2196 O GLU A 312 110 .326 40 .671 13 .952 1 .00 36 .08 AAAA O

ATOM 2197 N ALA A 313 111 .900 41 .559 12 .621 1, .00 23 .79 AAAA N

ATOM 2198 CA ALA A 313 112 .023 40 .355 11 .818 1 .00 23 .79 AAAA C

ATOM 2199 CB ALA A 313 112 .926 40 .597 10 .617 1, .00 28 .58 AAAA C

ATOM 2200 C ALA A 313 112 .609 39 .272 12 .720 1 .00 23 .79 AAAA C

ATOM 2201 O ALA A 313 112 .211 38 .118 12 .645 1 .00 23 .79 AAAA O ATOM 2202 N ILE A 314 113,.544 39.,654 13.,583 1,,00 37.,10 AAAA N

ATOM 2203 CA ILE A 314 114. ,167 38. 695 14. ,480 1. 00 37. ,10 AAAA C

ATOM 2204 CB ILE A 314 115. .387 39. ,306 15. .208 1. ,00 25. ,85 AAAA C

ATOM 2205 CG2 ILE A 314 115. ,991 38. 301 16. ,160 1. ,00 25. ,85 AAAA C

ATOM 2206 CGI ILE A 314 116. .451 39. ,721 14. .198 1. ,00 25. ,85 AAAA C

ATOM 2207 CD1 ILE A 314 117, ,649 40. 405 14. ,823 1. ,00 25. ,85 AAAA C

ATOM 2208 C ILE A 314 113. .140 38, ,240 15. .508 1, .00 37. ,10 AAAA C

ATOM 2209 0 ILE A 314 112. ,967 37. 039 15. ,757 1. ,00 37. ,10 AAAA O

ATOM 2210 N ALA A 315 112, ,452 39. ,204 16. .102 1. ,00 33, ,32 AAAA N

ATOM 2211 CA ALA A 315 111. .437 38. ,902 17. .096 1, .00 33. ,32 AAAA C

ATOM 2212 CB ALA A 315 110, ,680 40. ,173 17. ,480 1, ,00 30. ,59 AAAA C

ATOM 2213 C ALA A 315 110, .467 37. ,853 16, .551 1, .00 33. .32 AAAA C

ATOM 2214 O ALA A 315 110. .318 36. .780 17, .133 1. .00 33. ,32 AAAA O

ATOM 2215 N LEU A 316 109, .812 38. ,165 15, .436 1, .00 28. .30 AAAA N

ATOM 2216 CA LEU A 316 108. .851 37. ,249 14, ,826 1. .00 28. .30 AAAA C

ATOM 2217 CB LEU A 316 108, .387 37. .778 13, .470 1, .00 22. .91 AAAA C

ATOM 2218 CG LEU A 316 107. .497 36. .820 12, . 669 1. ,00 22. .91 AAAA C

ATOM 2219 CD1 LEU A 316 106, .212 36. .500 13. .442 1, .00 22, .91 AAAA C

ATOM 2220 CD2 LEU A 316 107. .185 37. .443 11, .302 1, .00 22. .91 AAAA C

ATOM 2221 C LEU A 316 109, .477 35. .875 14 .635 1, .00 28, .30 AAAA C

ATOM 2222 O LEU A 316 108. .885 34. .845 14, .953 1, .00 28. .30 AAAA O

ATOM 2223 N CYS A 317 110, .692 35, .884 14 .114 1, .00 35, .25 AAAA N

ATOM 2224 CA CYS A 317 111, .429 34. .667 13, .856 1, ,00 35. .25 AAAA C

ATOM 2225 CB CYS A 317 112, .791 35, .036 13 .277 1, .00 53, .91 AAAA C

ATOM 2226 SG CYS A 317 113, .640 33, .673 12 .511 1, .00 53, .91 AAAA S

ATOM 2227 C CYS A 317 111, .587 33, .787 15 .112 1, .00 35, .25 AAAA C

ATOM 2228 O CYS A 317 111, .443 32, .566 15 .043 1, ,00 35. .25 AAAA O

ATOM 2229 N SER A 318 111, .864 34, .403 16 .259 1, .00 34, .29 AAAA N

ATOM 2230 CA SER A 318 112, .029 33, .643 17 .495 1, .00 34. .29 AAAA C

ATOM 2231 CB SER A 318 112, .650 34 .509 18 .585 1, .00 33, .19 AAAA C

ATOM 2232 OG SER A 318 111, .650 35, .252 19 .260 1, .00 33, .19 AAAA O

ATOM 2233 C SER A 318 110, .727 33, .055 18 .033 1, .00 34, .29 AAAA C

ATOM 2234 O SER A 318 110, .747 32, .284 18 .994 1, .00 34, .29 AAAA O

ATOM 2235 N ARG A 319 109, ,594 33, .414 17 .434 1. .00 31, .34 AAAA N

ATOM 2236 CA ARG A 319 108, .326 32 .888 17 .902 1, .00 31, .34 AAAA C

ATOM 2237 CB ARG A 319 107, .346 34, .025 18 .098 1, .00 39, .87 AAAA C

ATOM 2238 CG ARG A 319 107 .916 35 .064 19 .021 1 .00 39 .87 AAAA C

ATOM 2239 CD ARG A 319 107, .860 34 .618 20 .464 1, .00 39, .87 AAAA C

ATOM 2240 NE ARG A 319 106 .602 35 .039 21 .062 1 .00 39 .87 AAAA N

ATOM 2241 CZ ARG A 319 105 .603 34 .227 21 .368 1 .00 39 .87 AAAA C

ATOM 2242 NHl ARG A 319 105 .717 32 .921 21 .142 1 .00 39 .87 AAAA N

ATOM 2243 NH2 ARG A 319 104 .481 34 .725 21 .867 1 .00 39 .87 AAAA N ATOM 2244 C ARG A 319 107.,777 31.,841 16.,952 1..00 31,.34 AAAA C

ATOM 2245 O ARG A 319 106, ,723 31, ,254 17. ,196 1. ,00 31, .34 AAAA O

ATOM 2246 N LEU A 320 108, .507 31. ,617 15. ,865 1. ,00 34. .61 AAAA N

ATOM 2247 CA LEU A 320 108, ,133 30, ,613 14. ,883 1. ,00 34, .61 AAAA C

ATOM 2248 CB LEU A 320 108. ,282 31, .150 13. ,459 1. ,00 33, .37 AAAA C

ATOM 2249 CG LEU A 320 107, ,595 32. ,471 13. ,118 1. ,00 33, ,37 AAAA C

ATOM 2250 CD1 LEU A 320 107. ,808 32, ,788 11. ,645 1. ,00 33. .37 AAAA C

ATOM 2251 CD2 LEU A 320 106. .115 32, ,390 13. ,432 1. ,00 33. .37 AAAA C

ATOM 2252 C LEU A 320 109. .082 29, .434 15. .071 1. .00 34. .61 AAAA c

ATOM 2253 O LEU A 320 108. .672 28. .290 15. ,006 1. ,00 34. .61 AAAA 0

ATOM 2254 N LEU A 321 110. .350 29. .735 15. ,336 1. ,00 27. .28 AAAA N

ATOM 2255 CA LEU A 321 111. .379 28, .721 15. ,517 1, .00 27, .28 AAAA C

ATOM 2256 CB LEU A 321 112. .690 29, .215 14. ,908 1. ,00 26, .92 AAAA C

ATOM 2257 CG LEU A 321 112. .544 29. .501 13. ,407 1, ,00 26, .92 AAAA C

ATOM 2258 GDI LEU A 321 113, .873 29. .940 12. ,850 1. ,00 26, .92 AAAA C

ATOM 2259 CD2 LEU A 321 112, .065 28, .271 12. .667 1. .00 26 .92 AAAA C

ATOM 2260 C LEU A 321 111, .592 28, .310 16. .969 1. .00 27, .28 AAAA C

ATOM 2261 O LEU A 321 112, .611 28, .629 17. .581 1. .00 27, .28 AAAA 0

ATOM 2262 N GLU A 322 110. .602 27. .600 17. ,505 1, ,00 34. .53 AAAA N

ATOM 2263 CA GLU A 322 110, ,632 27, .112 18. ,878 1. .00 34, .53 AAAA C

ATOM 2264 CB GLU A 322 109, .467 27. .703 19. ,665 1. ,00 47, .37 AAAA C

ATOM 2265 CG GLU A 322 109, .441 29, .200 19. ,646 1. ,00 47, .37 AAAA C

ATOM 2266 CD GLU A 322 109, .525 29. .791 21. .027 1. ,00 47. .37 AAAA C

ATOM 2267 OEl GLU A 322 110, .214 29, .192 21. .882 1. .00 47, .37 AAAA 0

ATOM 2268 0E2 GLU A 322 108. .912 30. .857 21. .250 1. .00 47, .37 AAAA 0

ATOM 2269 C GLU A 322 110. .511 25, .594 18. .870 1. .00 34. .53 AAAA c

ATOM 2270 O GLU A 322 109. .949 25, .023 17. .945 1. .00 34. .53 AAAA 0

ATOM 2271 N TYR A 323 Ill .036 24 .949 19, .903 1, .00 37 .73 AAAA N

ATOM 2272 CA TYR A 323 110. .979 23, .496 20. .025 1. .00 37, .73 AAAA C

ATOM 2273 CB TYR A 323 Ill .891 23 .037 21, .157 1, .00 27 .12 AAAA C

ATOM 2274 CG TYR A 323 113 .324 22 .836 20, .748 1, .00 27 .12 AAAA C

ATOM 2275 GDI TYR A 323 114 .369 23 .293 21 .552 1 .00 27 .12 AAAA C

ATOM 2276 CEl TYR A 323 115 .715 23, .090 21, .170 1, .00 27 .12 AAAA C

ATOM 2277 CD2 TYR A 323 113 .638 22 .166 19 .560 1 .00 27 .12 AAAA C

ATOM 2278 CE2 TYR A 323 114 .952 21, .951 19, .176 1, ,00 27 .12 AAAA C

ATOM 2279 CZ TYR A 323 115 .983 22 .419 19 .977 1, .00 27 .12 AAAA C

ATOM 2280 OH TYR A 323 117 .276 22, .244 19, .564 1, . 00 27 .12 AAAA 0

ATOM 2281 C TYR A 323 109 .559 23 .055 20 .319 1, .00 37 .73 AAAA C

ATOM 2282 O TYR A 323 109 .061 22 .098 19 .728 1, .00 37 .73 AAAA 0

ATOM 2283 N THR A 324 108 .924 23 .766 21 .245 1 .00 30 .39 AAAA N

ATOM 2284 CA THR A 324 107 .560 23 .480 21 .652 1, .00 30 .39 AAAA c

ATOM 2285 CB THR A 324 107 .211 24 .199 22 .997 1 .00 24 .68 AAAA c ATOM 2286 OG1 THR A 324 108.,028 23.,667 24.,047 1.,00 24..68 AAAA O

ATOM 2287 CG2 THR A 324 105. 751 23. 997 23. 361 1. 00 24. ,68 AAAA C

ATOM 2288 C THR A 324 106. ,598 23. 925 20. ,556 1. 00 30. .39 AAAA C

ATOM 2289 O THR A 324 106. ,403 25. 121 20. 330 1. 00 30. ,39 AAAA O

ATOM 2290 N PRO A 325 105. 971 22. 957 19. 872 1. 00 35. ,17 AAAA N

ATOM 2291 CD PRO A 325 106. ,116 21. ,509 20. ,097 1. ,00 27. ,27 AAAA C

ATOM 2292 CA PRO A 325 105. ,023 23. 213 18. ,786 1. ,00 35. .17 AAAA C

ATOM 2293 CB PRO A 325 104. ,571 21. ,809 18. ,382 1. ,00 27. .27 AAAA C

ATOM 2294 CG PRO A 325 105. ,732 20. ,949 18, ,748 1. ,00 27. ,27 AAAA C

ATOM 2295 C PRO A 325 103. ,847 24. ,108 19. ,168 1. ,00 35, ,17 AAAA c

ATOM 2296 O PRO A 325 103. ,466 25. .001 18, .411 1, ,00 35, .17 AAAA O

ATOM 2297 N THR A 326 103. ,269 23. ,870 20, ,339 1. ,00 33. .24 AAAA N

ATOM 2298 CA THR A 326 102. .129 24, .662 20. .785 1. .00 33, .24 AAAA C

ATOM 2299 CB THR A 326 101. .472 24, .041 22. ,033 1, .00 28, .39 AAAA C

ATOM 2300 OG1 THR A 326 102. .390 24. .077 23. .130 1. ,00 28. .39 AAAA O

ATOM 2301 CG2 THR A 326 101, .075 22. ,605 21. .758 1, ,00 28, .39 AAAA C

ATOM 2302 C THR A 326 102, .496 26. ,108 21. .098 1. .00 33, .24 AAAA C

ATOM 2303 O THR A 326 101. .619 26. ,964 21. .184 1. ,00 33, .24 AAAA O

ATOM 2304 N ALA A 327 103, .788 26, .374 21, .266 1. .00 32 .80 AAAA N

ATOM 2305 CA ALA A 327 104, .267 27. .715 21, .578 1. .00 32 .80 AAAA c

ATOM 2306 CB ALA A 327 105. .511 27, .625 22. .439 1. ,00 33 .27 AAAA c

ATOM 2307 C ALA A 327 104, .559 28, .557 20, .332 1, .00 32 .80 AAAA c

ATOM 2308 O ALA A 327 104, .861 29, ,750 20, .432 1, .00 32. .80 AAAA O

ATOM 2309 N ARG A 328 104, ,496 27, .941 19, .159 1. .00 34 .74 AAAA N

ATOM 2310 CA ARG A 328 104, .741 28. .670 17. .925 1, .00 34. .74 AAAA c

ATOM 2311 CB ARG A 328 104, .973 27, .715 16, .751 1, .00 25 .44 AAAA c

ATOM 2312 CG ARG A 328 106, .344 27, .072 16, .765 1, .00 25 .44 AAAA c

ATOM 2313 CD ARG A 328 106, ,455 25, .922 15, .801 1. .00 25 .44 AAAA c

ATOM 2314 NE ARG A 328 107 .462 24 .985 16 .292 1, .00 25 .44 AAAA N

ATOM 2315 CZ ARG A 328 107, .549 23, .705 15 .923 1, .00 25 .44 AAAA C

ATOM 2316 NHl ARG A 328 106, .691 23, .186 15, .038 1, .00 25 .44 AAAA N

ATOM 2317 NH2 ARG A 328 108 .463 22 .929 16 .490 1 .00 25 .44 AAAA N

ATOM 2318 C ARG A 328 103 .541 29 .533 17 .623 1, .00 34 .74 AAAA C

ATOM 2319 O ARG A 328 102 .403 29 .158 17 .925 1, .00 34 .74 AAAA O

ATOM 2320 N LEU A 329 103 .801 30, .695 17 .036 1, .00 34 .45 AAAA N

ATOM 2321 CA LEU A 329 102 .730 31, .612 16 .661 1, .00 34 .45 AAAA C

ATOM 2322 CB LEU A 329 103 .338 32 .876 16 .056 1 .00 35 .55 AAAA C

ATOM 2323 CG LEU A 329 103 .162 34 .212 16 .779 1 .00 35 .55 AAAA C

ATOM 2324 CD1 LEU A 329 103 .304 34 .072 18 .285 1 .00 35 .55 AAAA C

ATOM 2325 CD2 LEU A 329 104 .194 35 .170 16 .233 1 .00 35 .55 AAAA c

ATOM 2326 C LEU A 329 101 .835 30 .913 15 .620 1 .00 34 .45 AAAA c

ATOM 2327 O LEU A 329 102 .329 30 .139 14 .801 1 .00 34 .45 AAAA 0 ATOM 2328 N THR A 330 100,.528 31,,145 15.,662 1.00 35.,45 AAAA N

ATOM 2329 CA THR A 330 99, .669 30, .522 14. .664 1, .00 35. .45 AAAA C

ATOM 2330 CB THR A 330 98, .221 30, .394 15. .122 1. ,00 36. .95 AAAA C

ATOM 2331 OG1 THR A 330 97, .619 31. .695 15, ,156 1. ,00 36, ,95 AAAA O

ATOM 2332 CG2 THR A 330 98, .159 29, .747 16. .493 1. .00 36, .95 AAAA C

ATOM 2333 C THR A 330 99, .683 31, .466 13. .473 1. .00 35. ,45 AAAA C

ATOM 2334 O THR A 330 100. .030 32. .632 13, ,613 1. ,00 35, ,45 AAAA O

ATOM 2335 N PRO A 331 99. .296 30, .979 12. .286 1. .00 36, .00 AAAA N

ATOM 2336 CD PRO A 331 99. ,022 29. .573 11. ,932 1. ,00 39. .64 AAAA C

ATOM 2337 CA PRO A 331 99, .278 31, .810 11. ,085 1. ,00 36. .00 AAAA C

ATOM 2338 CB PRO A 331 98, .640 30, .886 10. .060 1, .00 39, .64 AAAA C

ATOM 2339 CG PRO A 331 99, .232 29, .586 10. ,424 1. .00 39, .64 AAAA C

ATOM 2340 C PRO A 331 98. .587 33 .163 11. .185 1. .00 36, .00 AAAA C

ATOM 2341 O PRO A 331 99 .112 34 .139 10, .659 1, .00 36, .00 AAAA O

ATOM 2342 N LEU A 332 97, .430 33, .231 11. .845 1, .00 30, .23 AAAA N

ATOM 2343 CA LEU A 332 96, .733 34, .506 11, .986 1, .00 30, .23 AAAA C

ATOM 2344 CB LEU A 332 95, .283 34, .325 12. .427 1. .00 54. .56 AAAA C

ATOM 2345 CG LEU A 332 94, .366 33, .772 11. .346 1. .00 54, .56 AAAA C

ATOM 2346 GDI LEU A 332 92, .953 34, .061 11, .761 1, .00 54, .56 AAAA C

ATOM 2347 CD2 LEU A 332 94, .652 34, .426 10. ,009 1. .00 54. .56 AAAA C

ATOM 2348 C LEU A 332 97, .447 35, .399 12, ,975 1. .00 30, .23 AAAA C

ATOM 2349 O LEU A 332 97 .490 36, .608 12, .785 1, .00 30, .23 AAAA O

ATOM 2350 N GLU A 333 97, .992 34, .798 14. .033 1. .00 39, .07 AAAA N

ATOM 2351 CA GLU A 333 98, .754 35, .533 15, .044 1, .00 39, .07 AAAA C

ATOM 2352 CB GLU A 333 99 .286 34 .577 16, .137 1, .00 51, .62 AAAA C

ATOM 2353 CG GLU A 333 98. .344 34. .315 17. .321 1. .00 51. .62 AAAA C

ATOM 2354 CD GLU A 333 98, .728 33, .084 18, .156 1, .00 51, .62 AAAA C

ATOM 2355 OEl GLU A 333 99, .908 32, .647 18, .133 1, .00 51, .62 AAAA O

ATOM 2356 OE2 GLU A 333 97. .831 32, .559 18. .857 1. ,00 51. .62 AAAA O

ATOM 2357 C GLU A 333 99 .942 36. .188 14, .334 1, .00 39, .07 AAAA C

ATOM 2358 O GLU A 333 100, .286 37. .332 14, .609 1, .00 39, .07 AAAA O

ATOM 2359 N ALA A 334 100, .557 35. ,438 13, ,420 1. ,00 38, .07 AAAA N

ATOM 2360 CA ALA A 334 101 .716 35 .896 12 .663 1, .00 38 .07 AAAA C

ATOM 2361 CB ALA A 334 102. .279 34, .752 11. .829 1. .00 40. ,08 AAAA C

ATOM 2362 C ALA A 334 101 .368 37 .072 11 .767 1, .00 38, .07 AAAA C

ATOM 2363 O ALA A 334 102, .102 38, .061 11, .703 1, .00 38, .07 AAAA O

ATOM 2364 N CYS A 335 100, .247 36, .962 11, .069 1. .00 39. .81 AAAA N

ATOM 2365 CA CYS A 335 99 .812 38 .038 10 .197 1, .00 39 .81 AAAA C

ATOM 2366 CB CYS A 335 98 .484 37, .688 9 .558 1, .00 36, .78 AAAA C

ATOM 2367 SG CYS A 335 98, .661 36, .574 8, .206 1. .00 36, .78 AAAA S

ATOM 2368 C CYS A 335 99 .653 39 .317 10 .985 1, .00 39 .81 AAAA C

ATOM 2369 O CYS A 335 100 .006 40, .392 10, .519 1, .00 39 .81 AAAA O ATOM 2370 N ALA A 336 99.,116 39.,178 12,,187 1,,00 37.,17 AAAA N

ATOM 2371 CA ALA A 336 98. .887 40. ,305 13. .071 1. ,00 37. .17 AAAA C

ATOM 2372 CB ALA A 336 97. .871 39. ,908 14. ,128 1, ,00 20. ,01 AAAA C

ATOM 2373 C ALA A 336 100, .169 40, ,824 13. .741 1, ,00 37. ,17 AAAA C

ATOM 2374 O ALA A 336 100. .167 41. ,888 14. .354 1, ,00 37, ,17 AAAA O

ATOM 2375 N HIS A 337 101. .268 40. ,095 13, .608 1, ,00 37. ,62 AAAA N

ATOM 2376 CA HIS A 337 102. .514 40. ,507 14. .242 1. .00 37. ,62 AAAA C

ATOM 2377 CB HIS A 337 103, .583 39. ,439 13, .991 1. .00 29. ,06 AAAA C

ATOM 2378 CG HIS A 337 104, .849 39, ,647 14. ,762 1. .00 29. ,06 AAAA C

ATOM 2379 CD2 HIS A 337 105, .212 39, ,243 16, .001 1. ,00 29. .06 AAAA C

ATOM 2380 NDl HIS A 337 105, .914 40, .372 14. .266 1. .00 29. .06 AAAA N

ATOM 2381 CEl HIS A 337 106, .877 40. .406 15, .168 1. .00 29. .06 AAAA C

ATOM 2382 NE2 HIS A 337 106, .478 39. .730 16, .230 1. .00 29. .06 AAAA N

ATOM 2383 C HIS A 337 103, .002 41. .901 13, ,824 1. ,00 37. .62 AAAA C

ATOM 2384 0 HIS A 337 102, .830 42. .325 12, .683 1. ,00 37. .62 AAAA O

ATOM 2385 N SER A 338 103, .601 42. .609 14, ,777 1. .00 44. .26 AAAA N

ATOM 2386 CA SER A 338 104, .108 43. .965 14, ,561 1, .00 44. .26 AAAA C

ATOM 2387 CB SER A 338 104, .971 44. .401 15, .738 1. .00 38. .67 AAAA C

ATOM 2388 OG SER A 338 104 .375 44, .039 16, .958 1. .00 38, .67 AAAA O

ATOM 2389 C SER A 338 104, .934 44. .128 13. .299 1, .00 44, .26 AAAA C

ATOM 2390 O SER A 338 104 .945 45, .198 12, .704 1, .00 44, .26 AAAA O

ATOM 2391 N PHE A 339 105, .648 43. .076 12, .915 1. ,00 37, .43 AAAA N

ATOM 2392 CA PHE A 339 106 .497 43, .109 11, .726 1, .00 37, .43 AAAA C

ATOM 2393 CB PHE A 339 107, .164 41, .742 11, .508 1. .00 30, .10 AAAA C

ATOM 2394 CG PHE A 339 108 .126 41, .702 10, .357 1, .00 30, .10 AAAA C

ATOM 2395 CD1 PHE A 339 109, .218 42. .558 10, .317 1, .00 30, .10 AAAA C

ATOM 2396 CD2 PHE A 339 107 .955 40, .787 9 .322 1, .00 30, .10 AAAA C

ATOM 2397 CEl PHE A 339 110 .129 42, .511 9, .271 1, .00 30, .10 AAAA C

ATOM 2398 CE2 PHE A 339 108 .866 40, .730 8 .267 1, .00 30 .10 AAAA C

ATOM 2399 CZ PHE A 339 109 .957 41, .601 8 .250 1, . 00 30, .10 AAAA C

ATOM 2400 c PHE A 339 105 .714 43 .494 10 .481 1, ,00 37 .43 AAAA C

ATOM 2401 0 PHE A 339 106 .286 43, .991 9 .515 1, .00 37. .43 AAAA O

ATOM 2402 N PHE A 340 104 .407 43, .287 10 .511 1, .00 35. .54 AAAA N

ATOM 2403 CA PHE A 340 103 .589 43 .623 9 .360 1, .00 35 .54 AAAA C

ATOM 2404 CB PHE A 340 102 .653 42, .455 9 .049 1, . 00 32 .11 AAAA C

ATOM 2405 CG PHE A 340 103 .380 41 .181 8 .758 1 .00 32 .11 AAAA C

ATOM 2406 CD1 PHE A 340 10 .339 41 .139 7 .747 1, .00 32 .11 AAAA C

ATOM 2407 CD2 PHE A 340 103 .152 40 .045 9 .521 1 .00 32 .11 AAAA C

ATOM 2408 CEl PHE A 340 105 .062 39 .993 7 .505 1 .00 32 .11 AAAA C

ATOM 2409 CE2 PHE A 340 103 .872 38 .883 9 .284 1 .00 32 .11 AAAA C

ATOM 2410 CZ PHE A 340 104 .834 38 .857 8 .271 1 .00 32 .11 AAAA C

ATOM 2411 c PHE A 340 102 .799 44 .926 9 .473 1 .00 35 .54 AAAA C fc fc fc fc fc fc fc fc fc f c fc f fc fc fc fc fc fc I c fc fc fc fc fc fc fc fc fc fc fc fc fc fc

H H H H Hi HI ι-3 H H, c I H H, f

H H > H-, fc fc fc c f

H H H H H H H H H H H Hi HI H ι-3 H H ι-3 HI H H HI HI H H H ι- d o d Ω d d d d d d o d d d d d d d d o o d d d d d d d d d d d d d d Ω d d d Q d

3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 to to to to to to t to to to to to to to to to to to to to to to to to to t to to to to to t φ. Φ- Φ- fr- in in LΠ Φ- Φ- co to to to to to to o in Φ- H o LΠ co t o o in d Ω Ω Ω 12! d Ω X X Ω S3 Ω Ω Ω Ω SS d Ω Ω Ω Ω Ω Ω SS d Ω d d Ω Ω Ω Ω X d Ω d d Ω Ω Ω SS

O Ω 03 fc iii X N to a Ω to o fc ϋ to α Ω to fc CO CO α Ω to fc D to a Ω 03 t fc

H fc fc fc fc fc ≥ t-¹ tr¹ Ω Ω Ω Ω Ω Ω Ω Ω Ω fc fc fc fc fc fc fc τ n cn cn t t ≥ tr* c cn cn cn E π3 s ϊx jg g ig ≥ to ≥ to ≥ t ≥ t CO CO to t CO t to → tr¹ tr¹ tr¹ cn cn cn cn cn fc

X τ3 x T3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω C, α cs α α Ci α α CS a S α a c; ci X X X τ3 X TJ t fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc co co Lo oo co co φ. Φ- φ. φ- Φ- Φ- Φ> φ. Φ- Φ- Φ- Φ. Φ. Φ- Φ. Φ- Φ- Φ. in LΠ LΠ in in Φ> Φ- φ- Φ- Φ- Lo OJ t to t to to t to to to H H H

H l-> M o VD o o o o o o o o 03 to i-¹ to Lπ oo oo to to to to o in o cn o to in oo cn cn o vo in in o -o H φ- φ. vo vo oo vo en to vo vo o co o vo cn φ. cn o cn in in in in in φ. φ- Φ φ. o o in oo -o vo vo vo vo oo cn -o cn cπ i cn to to in H to to vo to to to cn o o cn vo cn t

-o Π o co o LΠ to oo H H co o cn cn -0 φ- ι Φ- cn o in in vo vo cn in φ. H to cn

I-¹ en n CΛ cn o to H -o in in LΠ in in CΛ in cn φ. in cn -o co o

-o oo vo o -J H cn o o cn 1 o o o in co to cn o ω o in vo n -j oo t co o n o to cn vo -J H t to to to -O in ι-> -0 o o oo vo o o

H H H H H H H (-¹ H M H H H H H H H H H H H H H H H H o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o in in φ- co Φ- φ-

H o vo vo o o n cn o o m Φ. o t to to o o φ. φ. φ. φ. φ. φ. φ- φ. Φ- t to cn cn LO σ. cn vo H in cn cn ^■o o o

O Ω Ω Ω SS θ Ω ≥i S! Ω -_; Ω Ω Ω Ω ≥! O Ω Ω Ω Ω Ω Ω --! O Ω O d Ω Ω Ω Ω ≥i d Ω d d Ω Ω Ω !2! d

ATOM 2454 OD2 ASP A 345 100.,334 54.,248 5.,891 1.,00 51.,90 AAAA O

ATOM 2455 C ASP A 345 98. .924 52. ,172 5. .459 1. ,00 38. ,69 AAAA C

ATOM 2456 O ASP A 345 99. ,310 51. .670 4. .408 1. ,00 38. ,69 AAAA O

ATOM 2457 N PRO A 346 97. 971 53. ,114 5. ,478 1. ,00 57. ,04 AAAA N

ATOM 2458 CD PRO A 346 97. 462 53. ,816 6, ,671 1. ,00 56. 58 AAAA C

ATOM 2459 CA PRO A 346 97. ,299 53. .593 4. ,260 1. ,00 57, ,04 AAAA C

ATOM 2460 CB PRO A 346 96, .445 54. ,753 4, ,774 1. ,00 56, ,58 AAAA C

ATOM 2461 CG PRO A 346 96. ,130 54. .339 6. .187 1, ,00 56. ,58 AAAA C

ATOM 2462 C PRO A 346 98, ,195 54. ,022 3. ,094 1. ,00 57. ,04 AAAA C

ATOM 2463 O PRO A 346 97. 903 53. ,722 1. ,939 1. ,00 57. ,04 AAAA O

ATOM 2464 N ASN A 347 99. .292 54. ,707 3, ,401 1. ,00 58, ,76 AAAA N

ATOM 2465 CA ASN A 347 100. ,200 55. .203 2. .369 1. ,00 58. ,76 AAAA C

ATOM 2466 CB ASN A 347 100. .837 56, ,510 2. ,843 1. ,00 69. .91 AAAA C

ATOM 2467 CG ASN A 347 99. .950 57, ,275 3, ,819 1. ,00 69, ,91 AAAA C

ATOM 2468 ODl ASN A 347 98, .787 57, .568 3, .524 1. ,00 69, ,91 AAAA O

ATOM 2469 ND2 ASN A 347 100. .501 57. ,605 4. ,991 1. ,00 69, ,91 AAAA N

ATOM 2470 C ASN A 347 101, .311 54. .237 1, .957 1. .00 58, .76 AAAA C

ATOM 2471 O ASN A 347 102. .386 54. .671 1, .545 1. .00 58. .76 AAAA O

ATOM 2472 N VAL A 348 101, .065 52. .936 2, .048 1. .00 59. ,47 AAAA N

ATOM 2473 CA VAL A 348 102, .098 51, ,975 1, ,689 1. .00 59. ,47 AAAA C

ATOM 2474 CB VAL A 348 102, .015 50, .705 2, .600 1. .00 50. ,84 AAAA C

ATOM 2475 CGI VAL A 348 100. .811 49. .833 2, .211 1. .00 50. .84 AAAA C

ATOM 2476 CG2 VAL A 348 103, .316 49, .921 2, .521 1, .00 50, .84 AAAA C

ATOM 2477 C VAL A 348 102, .059 51. ,577 0, .211 1. .00 59. ,47 AAAA C

ATOM 2478 O VAL A 348 101, .006 51, ,244 -0, .344 1. .00 59. ,47 AAAA O

ATOM 2479 N LYS A 349 103, .220 51. .636 -0, .427 1, .00 56, .33 AAAA N

ATOM 2480 CA LYS A 349 103, .352 51, .281 -1, .836 1, .00 56, .33 AAAA C

ATOM 2481 CB LYS A 349 103 .680 52, .515 -2, .681 1, .00 81, .76 AAAA C

ATOM 2482 CG LYS A 349 102 .675 53, .635 -2, .597 1, .00 81, .76 AAAA C

ATOM 2483 CD LYS A 349 101, .414 53, .307 -3, .370 1, .00 81, .76 AAAA C

ATOM 2484 CE LYS A 349 100, .395 54, .429 -3, .255 1, .00 81. .76 AAAA C

ATOM 2485 NZ LYS A 349 99 .156 54 .084 -4 .004 1, .00 81, . 16 AAAA N

ATOM 2486 C LYS A 349 104 .510 50 .311 -1 .963 1 .00 56 .33 AAAA C

ATOM 2487 O LYS A 349 105 .179 49 .991 -0 .984 1 .00 56 .33 AAAA O

ATOM 2488 N LEU A 350 104 .742 49 .848 -3 .180 1 .00 59 .77 AAAA N

ATOM 2489 CA LEU A 350 105 .851 48 .956 -3 .438 1 .00 59 .77 AAAA C

ATOM 2490 CB LEU A 350 105 .439 47 .875 -4 .439 1 .00 51 .37 AAAA C

ATOM 2491 CG LEU A 350 104 .333 46 .925 -3 .959 1 .00 51 .37 AAAA C

ATOM 2492 CD1 LEU A 350 104 .023 45 .902 -5 .043 1 .00 51 .37 AAAA C

ATOM 2493 CD2 LEU A 350 104 .776 46 .236 -2 .670 1 .00 51 .37 AAAA C

ATOM 2494 C LEU A 350 106 .925 49 .859 -4 .027 1 .00 59 .77 AAAA C

ATOM 2495 O LEU A 350 106 .622 50 .938 -4 .529 1 .00 59 .77 AAAA O ATOM 2496 N PRO A 351 108.,200 49.,455 -3.,950 1.,00 63.,03 AAAA N

ATOM 2497 CD PRO A 351 108. ,769 48. ,331 -3. ,184 1. ,00 65, ,29 AAAA C

ATOM 2498 CA PRO A 351 109. ,271 50. ,294 -4. ,506 1. 00 63, ,03 AAAA C

ATOM 2499 CB PRO A 351 110. .502 49. ,405 -4, .352 1. ,00 65. .29 AAAA C

ATOM 2500 CG PRO A 351 110, ,235 48. ,746 -3. ,047 1. ,00 65. ,29 AAAA C

ATOM 2501 C PRO A 351 109. .044 50, ,741 -5. ,955 1. .00 63, .03 AAAA C

ATOM 2502 O PRO A 351 109, .665 51, ,694 -6. ,416 1, ,00 63. .03 AAAA O

ATOM 2503 N ASN A 352 108, .143 50. ,052 -6. ,655 1. ,00 69, .54 AAAA N

ATOM 2504 CA ASN A 352 107, .824 50, .358 -8. ,053 1. .00 69, .54 AAAA C

ATOM 2505 CB ASN A 352 107. ,344 49. ,111 -8. ,774 1. ,00 79. .82 AAAA C

ATOM 2506 CG ASN A 352 106. ,042 48. ,574 -8. ,193 1. ,00 79. ,82 AAAA C

ATOM 2507 ODl ASN A 352 105. .399 49, .222 -7. .355 1. .00 79. .82 AAAA O

ATOM 2508 ND2 ASN A 352 105, .645 47. ,383 -8. .640 1, .00 79. .82 AAAA N

ATOM 2509 C ASN A 352 106, ,748 51, ,417 -8. ,211 1. ,00 69. .54 AAAA C

ATOM 2510 O ASN A 352 106, ,450 51. ,829 -9. ,323 1. ,00 69. ,54 AAAA O

ATOM 2511 N GLY A 353 106, ,147 51. ,837 -7, ,107 1. ,00 54. ,94 AAAA N

ATOM 2512 CA GLY A 353 105. .126 52. ,853 -7. .196 1. ,00 54. .94 AAAA C

ATOM 2513 C GLY A 353 103. .706 52. .324 -7, ,160 1, ,00 54, .94 AAAA C

ATOM 2514 O GLY A 353 102. .828 53. ,028 -6. .667 1, .00 54, .94 AAAA O

ATOM 2515 N ARG A 354 103. .444 51. .108 -7. .641 1, .00 84, ,91 AAAA N

ATOM 2516 CA ARG A 354 102, .060 50, ,664 -7. .589 1, .00 84. .91 AAAA C

ATOM 2517 CB ARG A 354 101, .620 49, .974 -8, .878 1. .00 90, .02 AAAA C

ATOM 2518 CG ARG A 354 100. .073 49. .715 -8, .911 1. .00 90, .02 AAAA C

ATOM 2519 CD ARG A 354 99, .282 50. .981 -9. .337 1. ,00 90, .02 AAAA C

ATOM 2520 NE ARG A 354 97, ,914 51. .104 -8. .798 1. ,00 90, .02 AAAA N

ATOM 2521 CZ ARG A 354 97, .010 51. .994 -9, ,231 1. ,00 90, .02 AAAA C

ATOM 2522 NHl ARG A 354 97 .315 52, .832 -10 .218 1, .00 90 .02 AAAA N

ATOM 2523 NH2 ARG A 354 95 .809 52, .080 -8 .664 1, .00 90 .02 AAAA N

ATOM 2524 C ARG A 354 101 .662 49, .770 -6 .441 1, .00 84 .91 AAAA C

ATOM 2525 O ARG A 354 102 .405 48 .898 -5 .998 1, .00 84 .91 AAAA O

ATOM 2526 N ASP A 355 100, .445 50, .028 -5, .989 1. .00 72, .69 AAAA N

ATOM 2527 CA ASP A 355 99 .760 49 .313 -4 .925 1, .00 72 .69 AAAA C

ATOM 2528 CB ASP A 355 98, .292 49 .191 -5 .316 1, .00 84 .64 AAAA C

ATOM 2529 CG ASP A 355 97 .610 50 .533 -5 .382 1, .00 84 .64 AAAA C

ATOM 2530 ODl ASP A 355 97 .958 51 .374 -4 .529 1, .00 84 .64 AAAA O

ATOM 2531 OD2 ASP A 355 96 .743 50 .760 -6 .266 1, .00 84 .64 AAAA O

ATOM 2532 C ASP A 355 100 .236 47 .939 -4 .473 1 .00 72 .69 AAAA C

ATOM 2533 O ASP A 355 100 .873 47 .194 -5 .214 1 .00 72 .69 AAAA O

ATOM 2534 N THR A 356 99 .880 47 .618 -3 .235 1, .00 60 .72 AAAA N

ATOM 2535 CA THR A 356 100 .193 46 .342 -2 .636 1 .00 60 .72 AAAA C

ATOM 2536 CB THR A 356 100 .432 46 .497 -1 .137 1 .00 61 .42 AAAA C

ATOM 2537 OG1 THR A 356 99 .261 47 .039 -0 .514 1 .00 61 .42 AAAA O

to t to to to to to DO t to to to to to to to to to to DO t to DO to DO DO t t to to to to to to t to DO to to to t to in in in in in LΠ LΠ cπ LΠ Lπ LΠ in LΠ in in m in LΠ in in in in Lπ LΠ LΠ LΠ in in in in LΠ m m LΠ in in LΠ LΠ LΠ LΠ LΠ LΠ

-o -0 -o ~o -J ! cn Λ CΛ CΛ cn cn CΛ cn cn σi LΠ LΠ in LΠ LΠ LΠ m in in in φ. Φ- Φ- φ. Φ- Φ- φ. φ. Φ- Φ- LO LO D CO -o CΛ in Φ- 00 DO I-¹ o VD CO -4 n cn φ. O to ι-> o VD CO CΛ LΠ Φ- LO DO H¹ o VD CO CΛ LΠ φ. LO to \-> o vo 00 d O X d O O Ω SS d Ω Ω Ω Ω Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω Ω S3 o Ω Ω Ω SS d Ω Ω Ω Ω Ω S3 d Ω Ω

8 α 03 c tt CO CO O

H o f to a Ω to

DO fc α D Ω 03

DO fc 03 fc Ω CO fc α Ω

DO to fc fc fc fc fc fc fc fc X τ3 X t) H3 X X X X X Ό X tr¹ X X X X t-ⁱ X fc ≥ fc t g fc X X τ3 13 τ3 •n •ti ι-3 HI HI cn cn cn cn cn cn cn cn X ffi X X X X X X ffi ffi ffi CO CO to to to CO CO CO F r^-1

IS X X to to ffi

SS S SS SS SS X S3 3 CO to to CO CO CO t o to CO CO cs ffi ffi o x ci a Ci α Ci α fc fc fc o O d d d S δ to d d to X X fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

LO OJ 10 CO OJ LO LO 00 OJ LO 10 0J LO LO LO LO LO LO co CO co LO LO OJ OJ OJ co LO co CO OJ CO 0J 00 OJ OJ LO CO LO LO co 0J cn cn n CΛ CΛ CΛ CΛ CΛ cn cn CΛ CΛ CΛ CΛ cn cn CΛ en cn LΠ in in in LΠ LΠ LΠ LΠ ln in in in Lπ iπ iπ in LΠ ιn LΠ in Π LΠ in

H^» H .-> H H H l-¹ I-¹ O o o o O O o o o o o o VD vo o vo o vo vo 00 00 CO CO CO -o -J -a -J -J -J ~J CΛ CΛ CΛ

I-¹ H

CD CO VD VD VD 03 03 vo vo vo VD VD vo VO VD VD VD VD VD vo vo o VO VD VO vo VD vo VD ID VD o VD VD o VD VD O vo vo VD o

00 VD vo O H o VD vo H o l-¹ CΛ en in Φ- φ. φ. to to LO LΠ Φ- o VD CD σ. LΠ in in 00 Φ- CΛ o co 03 O o CO

-J

CΛ 00 VD VD -J VD to CΛ φ. Lπ -o CO Φ- o -J CO CO to VD O to LO to o LΠ Π LO CΛ VD o to H CO VD I-¹ in oo vo LΠ O to ! VO φ. n cn cn φ. VD to H o CO -o Lπ LO cn φ. Φ- VO O O LO H Φ- CΛ -J VD o o -J O H I-¹ in vo to CΛ 03 CD in LO to φ. VD cπ CΛ LO VD CΛ 03 03 1 VD vo LO LΠ LO LO LO 00 cn ι-> o I-¹ 00 00 o in O O VD vo cn -J CO to

0J LO 00 LO φ- Φ- φ. Φ. φ. φ- Φ- Φ- Φ> φ. φ. φ. Φ- Φ- Φ- Φ. φ. φ- Φ- Φ- Φ> φ. Φ- Φ- φ- Φ- φ. φ- Φ- Φ- φ- φ. φ. φ. φ. φ. φ> φ.

03 vo vo VD o o o to in CΛ φ. in Φ- 0J to t I-¹ H H LO LO to to o t to φ. 0J to H LO co φ. LΠ LΠ l

LO 0J -o o n -J 0J o VD vo o to co CΛ VD W Φ- to CO CO VD O in CO m CΛ CO VD en en o LO DO 03 H m I-¹ vo φ. φ. CΛ φ. cn cn to Λ to to LO CO LO to o vo CΛ to cn o to VD in CO vo CΛ to LO o o cn H LO CO in 00 CΛ -J φ. CΛ LΠ CO in o o I-¹ in VD φ. CΛ CΛ o o LO OJ vo VD to m CO φ. O D in φ. ^'φ. CO H o ι-> VO DO VO t to φ. to

1 1 1 1 1 I 1 1 1 1 1 1 1 1 1 1

DO co o o o to to φ. 0J φ. in OJ in oo φ. φ. Φ- to φ. LO O to H to to o o o DO H to to co LO LO to co to DO o

0J O 03 co n 03 03 -J ^J cn cn in Φ- o VO H¹ H VD 0J in in o co LO co l-¹ LΠ φ. LO 0J CΛ DO co vo H¹ vo co vo O o CO m Lπ oo VD CO 00 CO LΠ o 1 in OJ LΠ ^1 Φ- I-¹ LO CO to o --J LΠ Φ. vo m I-¹ in -J 00 oo to LO VD o DO CO φ. LΠ VD o I-¹ o -0 O LO co CΛ CO Φ- OJ CΛ o to VD co vo 03 H H LΠ LO 03 o en m VD CO O O 0J cn

I-¹ ι-> (-• H H f-¹ l-¹ I-¹ I-¹ H H H H H H H H H H H I-¹ l-¹ H t-¹ H H H H¹ -¹ H H H H H .-> H I-¹ l-> H

O o o o o o o o o O O o O o o o o o o o O O O O o O O O o o o o o o o O O O o o o O o o o o o o o o O O o o o O o o o o O O O O o O o o o o o o o o o o O O O O o o o

LΠ CΛ CΛ CΛ CΛ φ- Φ- φ. φ- φ. φ. φ. φ. φ. φ. φ. φ. φ. LO LO OJ J φ. φ. in in Φ- Π Cπ φ- φ. in in φ. in φ- cn cn CΛ o o H o o LO LO φ. φ. Φ- φ. Φ- Φ- φ. 0J LO LΠ in LO 0J OJ CO LΠ in CO CO en 00 CO o o DO to O DO O o o H

DO to VD VD VD VD t t cn CΛ VD vo VD vo VO vo VD CΛ en 00 OJ CO CO CO CO 00 LO LO oo OJ co -0 -J CΛ cn cn φ. to to CΛ CΛ CΛ cn DO to LO LO DO to to t t to t 0J ω ω OJ CΛ cn en CΛ OJ LO LO OJ LO LO -0 φ- Φ> Φ- 1 to DO DO

d Ω S3 d Ω Ω Ω S3 d Ω Ω Ω Ω O Ω Ω Ω Ω ≥i d Ω Ω Ω Ω Ω Ω S3 d Ω Ω Ω S3 d Ω Ω Ω Ω Ω --1 d Ω Ω

ATOM 2580 N PHE A 362 89,.948 39..260 4..329 1,,00 63..02 AAAA N

ATOM 2581 CA PHE A 362 89. .826 37. .967 4. .999 1, ,00 63. .02 AAAA C

ATOM 2582 CB PHE A 362 90, .286 38, .055 6, .462 1. .00 44, .79 AAAA C

ATOM 2583 CG PHE A 362 91, .770 38, .250 6, .630 1. .00 44, .79 AAAA C

ATOM 2584 CD1 PHE A 362 92. .331 39. .520 6. .586 1. .00 44. .79 AAAA C

ATOM 2585 CD2 PHE A 362 92. .604 37. .155 6. .853 1, ,00 44. .79 AAAA C

ATOM 2586 CEl PHE A 362 93, .703 39, .700 6, .766 1. .00 44, .79 AAAA C

ATOM 2587 CE2 PHE A 362 93, .974 37, .319 7, .035 1. .00 44, .79 AAAA C

ATOM 2588 CZ PHE A 362 94, .529 38. .594 6, .993 1. .00 44, .79 AAAA C

ATOM 2589 C PHE A 362 88, .392 37. .444 4, ,971 1. .00 63, .02 AAAA C

ATOM 2590 O PHE A 362 87. .433 38. ,217 4, ,985 1. ,00 63. .02 AAAA O

ATOM 2591 N THR A 363 88, .259 36, ,122 4, .953 1. .00 55. .72 AAAA N

ATOM 2592 CA THR A 363 86. .950 35, .499 4, .955 1. .00 55, .72 AAAA C

ATOM 2593 CB THR A 363 86. .819 34. .427 3, .873 1. .00 53. .71 AAAA C

ATOM 2594 OG1 THR A 363 87, .586 33. .276 4. .260 1. .00 53. .71 AAAA O

ATOM 2595 CG2 THR A 363 87. ,314 34. .964 2, .545 1. .00 53, .71 AAAA C

ATOM 2596 C THR A 363 86, .745 34, .814 6, .286 1. .00 55, .72 AAAA C

ATOM 2597 O THR A 363 87. ,699 34. .556 7. .029 1. ,00 55. .72 AAAA O

ATOM 2598 N THR A 364 85. .484 34. .508 6. .567 1. ,00 52. .33 AAAA N

ATOM 2599 CA THR A 364 85, .097 33, .847 7, .801 1. .00 52, .33 AAAA C

ATOM 2600 CB THR A 364 83, .574 33, .594 7, .824 1. .00 41, .21 AAAA C

ATOM 2601 OG1 THR A 364 82. .893 34. .857 7, .833 1. .00 41. .21 AAAA O

ATOM 2602 CG2 THR A 364 83, .162 32, .805 9, .067 1. .00 41, .21 AAAA C

ATOM 2603 C THR A 364 85, .868 32, .544 7, .965 1, ,00 52, .33 AAAA C

ATOM 2604 O THR A 364 86, .367 32, .254 9, .045 1. .00 52, .33 AAAA O

ATOM 2605 N GLN A 365 85, .981 31, .763 6, .897 1. .00 46, .09 AAAA N

ATOM 2606 CA GLN A 365 86, .719 30, .506 6, .963 1, .00 46, .09 AAAA C

ATOM 2607 CB GLN A 365 86, .742 29, .846 5, .583 1. ,00 61, .87 AAAA C

ATOM 2608 CG GLN A 365 87, .739 28, .693 5, .411 1, .00 61, .87 AAAA C

ATOM 2609 CD GLN A 365 87, .372 27, .453 6, .206 1, .00 61, .87 AAAA C

ATOM 2610 OEl GLN A 365 86 .232 27 .294 6 .618 1, .00 61 .87 AAAA O

ATOM 2611 NE2 GLN A 365 88, .333 26, .561 6, .409 1. .00 61, .87 AAAA N

ATOM 2612 C GLN A 365 88 .155 30 .760 7 .436 1, .00 46 .09 AAAA C

ATOM 2613 O GLN A 365 88 .686 30 .051 8 .294 1, .00 46 .09 AAAA O

ATOM 2614 N GLU A 366 88, .761 31, .799 6, .879 1, .00 46, .76 AAAA N

ATOM 2615 CA GLU A 366 90, .141 32, .173 7, .161 1, .00 46, .76 AAAA C

ATOM 2616 CB GLU A 366 90 .578 33 .178 6 .095 1, .00 68 .33 AAAA C

ATOM 2617 CG GLU A 366 92 .029 33 .599 6 .081 1 .00 68 .33 AAAA C

ATOM 2618 CD GLU A 366 92 .303 34 .530 4 .910 1, .00 68 .33 AAAA C

ATOM 2619 OEl GLU A 366 93, .462 34 .957 4 .727 1, .00 68 .33 AAAA O

ATOM 2620 OE2 GLU A 366 91 .341 34 .835 4 .167 1 .00 68 .33 AAAA O

ATOM 2621 C GLU A 366 90 .384 32 .736 8 .561 1. .00 46 .76 AAAA C ATOM 2622 O GLU A 366 91.518 32.,727 9.,063 1.,00 46.,76 AAAA O

ATOM 2623 N LEU A 367 89. ,315 33. .211 9. ,188 1. ,00 48. ,07 AAAA N

ATOM 2624 CA LEU A 367 89. ,391 33, ,795 10, ,520 1. ,00 48. ,07 AAAA C

ATOM 2625 CB LEU A 367 88. ,543 35. ,072 10, ,590 1. ,00 70. ,22 AAAA C

ATOM 2626 CG LEU A 367 89. ,014 36. ,452 10. .120 1. ,00 70. ,22 AAAA C

ATOM 2627 GDI LEU A 367 90. ,262 36. .342 9. .275 1. ,00 70. .22 AAAA C

ATOM 2628 CD2 LEU A 367 87. ,891 37. .107 9. .336 1. ,00 70. ,22 AAAA C

ATOM 2629 C LEU A 367 88. ,887 32. ,870 11. .604 1. ,00 48. ,07 AAAA C

ATOM 2630 O LEU A 367 88. ,982 33. ,206 12. ,785 1. 00 48. .07 AAAA O

ATOM 2631 N SER A 368 88. ,349 31. ,716 11. ,225 1. 00 68. ,40 AAAA N

ATOM 2632 CA SER A 368 87, .769 30. .806 12. ,210 1. ,00 68. .40 AAAA C

ATOM 2633 CB SER A 368 87. ,354 29. ,499 11. ,538 1. ,00 59. .55 AAAA C

ATOM 2634 OG SER A 368 88. ,486 28. ,827 11. ,027 1. ,00 59. .55 AAAA O

ATOM 2635 C SER A 368 88. ,582 30, .491 13. .463 1. .00 68, .40 AAAA C

ATOM 2636 O SER A 368 88. ,003 30, ,137 14. .484 1. ,00 68. .40 AAAA O

ATOM 2637 N SER A 369 89. ,905 30, .621 13. .424 1. ,00 58. .34 AAAA N

ATOM 2638 CA SER A 369 90. ,694 30, .286 14, .618 1. .00 58, .34 AAAA C

ATOM 2639 CB SER A 369 92. ,122 29. .897 14, .222 1. ,00 41, .59 AAAA C

ATOM 2640 OG SER A 369 92, ,804 30. .981 13, .621 1. ,00 41, .59 AAAA O

ATOM 2641 C SER A 369 90. .738 31, .365 15, .691 1. .00 58, .34 AAAA C

ATOM 2642 O SER A 369 90. .927 31. .066 16, .869 1. .00 58, .34 AAAA O

ATOM 2643 N ASN A 370 90, ,595 32, .619 15 .283 1. .00 43 .87 AAAA N

ATOM 2644 CA ASN A 370 90. .572 33, .726 16, .226 1. .00 43, .87 AAAA C

ATOM 2645 CB ASN A 370 91. .981 34, .061 16. .693 1. ,00 57, .01 AAAA C

ATOM 2646 CG ASN A 370 91, .973 34, .904 17, .936 1. .00 57 .01 AAAA C

ATOM 2647 ODl ASN A 370 90, .913 35, .374 18, .364 1. .00 57 .01 AAAA O

ATOM 2648 ND2 ASN A 370 93, .144 35, .115 18, .524 1. .00 57 .01 AAAA N

ATOM 2649 C ASN A 370 89. .910 34 .940 15 .583 1, .00 43 .87 AAAA C

ATOM 2650 O ASN A 370 90 .541 35 .967 15 .345 1, .00 43 .87 AAAA O

ATOM 2651 N PRO A 371 88 .607 34 .819 15 .300 1, .00 52 .57 AAAA N

ATOM 2652 CD PRO A 371 87 .843 33 .615 15 .677 1, .00 49 .20 AAAA C

ATOM 2653 CA PRO A 371 87 .723 35 .811 14 .681 1, .00 52 .57 AAAA C

ATOM 2654 CB PRO A 371 86 .334 35 .246 14 .960 1, .00 49 .20 AAAA C

ATOM 2655 CG PRO A 371 86 .577 33 .780 14 .883 1, .00 49 .20 AAAA C

ATOM 2656 C PRO A 371 87 .883 37 .246 15 .176 1, .00 52 .57 AAAA C

ATOM 2657 O PRO A 371 87 .794 38 .187 14 .386 1, .00 52 .57 AAAA O

ATOM 2658 N PRO A 372 88 .117 37 .440 16 .487 1. .00 72 .00 AAAA N

ATOM 2659 CD PRO A 372 88 .059 36 .483 17 .604 1, .00 48 .34 AAAA C

ATOM 2660 CA PRO A 372 88 .275 38 .803 17 .006 1. .00 72 .00 AAAA C

ATOM 2661 CB PRO A 372 88 .269 38 .601 18 .521 1, .00 48 .34 AAAA C

ATOM 2662 CG PRO A 372 87 .498 37 .346 18 .710 1 .00 48 .34 AAAA C

ATOM 2663 C PRO A 372 89 .559 39 .482 16 .528 1 .00 72 .00 AAAA C ATOM 2664 O PRO A 372 89.,691 40.,698 16..623 1.,00 72,,00 AAAA O

ATOM 2665 N LEU A 373 90. ,507 38. ,691 16. .035 1. ,00 59, ,96 AAAA N

ATOM 2666 CA LEU A 373 91. ,764 39. ,234 15, .545 1. ,00 59. ,96 AAAA C

ATOM 2667 CB LEU A 373 92. ,752 38. ,112 15. .222 1. ,00 36. ,11 AAAA C

ATOM 2668 CG LEU A 373 93. ,729 37. .656 16. .307 1. ,00 36, .11 AAAA C

ATOM 2669 CD1 LEU A 373 94. ,716 36. ,668 15. .705 1. ,00 36. .11 AAAA C

ATOM 2670 CD2 LEU A 373 94. ,488 38. ,840 16. .858 1. ,00 36. ,11 AAAA C

ATOM 2671 C LEU A 373 91. ,521 40. ,052 14, .294 1, ,00 59. .96 AAAA C

ATOM 2672 O LEU A 373 92. ,369 40. .842 13, .889 1. ,00 59, .96 AAAA O

ATOM 2673 N ALA A 374 90. ,361 39, ,856 13, .680 1. ,00 72. ,42 AAAA N

ATOM 2674 CA ALA A 374 90, ,025 40, .569 12. .456 1. .00 72, .42 AAAA C

ATOM 2675 CB ALA A 374 88, .630 40. .139 11. .955 1, .00 36, .44 AAAA C

ATOM 2676 C ALA A 374 90. ,077 42. ,078 12. ,672 1. ,00 72, ,42 AAAA C

ATOM 2677 O ALA A 374 90. .578 42. .825 11, .819 1. .00 72. .42 AAAA O

ATOM 2678 N THR A 375 89. .571 42. .519 13. .821 1, .00 68. .95 AAAA N

ATOM 2679 CA THR A 375 89, .562 43. .942 14. .138 1, .00 68, ,95 AAAA C

ATOM 2680 CB THR A 375 88. ,511 44. .260 15. .227 1, ,00 66, .63 AAAA C

ATOM 2681 OG1 THR A 375 88. .810 43. .516 16. .410 1, ,00 66, .63 AAAA O

ATOM 2682 CG2 THR A 375 87. ,104 43. .870 14. .750 1, ,00 66, .63 AAAA C

ATOM 2683 C THR A 375 90. .956 44, .391 14, .592 1. .00 68, .95 AAAA C

ATOM 2684 O THR A 375 91. ,110 45. .122 15. .573 1. .00 68. .95 AAAA O

ATOM 2685 N ILE A 376 91, ,964 43, ,925 13, .860 1. .00 57. .69 AAAA N

ATOM 2686 CA ILE A 376 93. .370 44, .232 14, .108 1. .00 57, .69 AAAA C

ATOM 2687 CB ILE A 376 93, .922 43, .394 15, .283 1, .00 62, .04 AAAA C

ATOM 2688 CG2 ILE A 376 95, .448 43, .534 15, .384 1. .00 62, .04 AAAA C

ATOM 2689 CGI ILE A 376 93, .265 43, .884 16, .572 1, .00 62, .04 AAAA C

ATOM 2690 CD1 ILE A 376 93, .397 42, .979 17, .752 1, .00 62 .04 AAAA C

ATOM 2691 C ILE A 376 94 .103 43 .892 12 .818 1, .00 57 .69 AAAA C

ATOM 2692 O ILE A 376 95, .071 44, .554 12. .438 1, .00 57 .69 AAAA O

ATOM 2693 N LEU A 377 93, .601 42, .865 12, .139 1. .00 52 .12 AAAA N

ATOM 2694 CA LEU A 377 94 .166 42 .421 10 .876 1, .00 52 .12 AAAA C

ATOM 2695 CB LEU A 377 93 .780 40 .966 10 .604 1, .00 41 .34 AAAA C

ATOM 2696 CG LEU A 377 94, .523 39, .857 11 .344 1, .00 41 .34 AAAA C

ATOM 2697 CD1 LEU A 377 93 .831 38 .533 11 .114 1, .00 41 .34 AAAA C

ATOM 2698 CD2 LEU A 377 95 .964 39 .818 10 .844 1 .00 41 .34 AAAA C

ATOM 2699 C LEU A 377 93 .626 43. .299 9 .759 1, .00 52 .12 AAAA C

ATOM 2700 O LEU A 377 94 .351 43 .689 8 .852 1 .00 52 .12 AAAA O

ATOM 2701 N ILE A 378 92 .340 43 .609 9 .829 1 .00 50 .95 AAAA N

ATOM 2702 CA ILE A 378 91 .726 44 .434 8 .807 1 .00 50 .95 AAAA C

ATOM 2703 CB ILE A 378 90 .262 44 .031 8 .570 1, .00 45 .56 AAAA C

ATOM 2704 CG2 ILE A 378 89 .627 44 .978 7 .584 1 .00 45 .56 AAAA C

ATOM 2705 CGI ILE A 378 90 .191 42 .578 8 .088 1 .00 45 .56 AAAA C ATOM 2706 CD1 ILE A 378 88,.777 42..073 7,.864 1..00 45..56 AAAA C

ATOM 2707 C ILE A 378 91, .776 45, .888 9, ,248 1. .00 50, .95 AAAA C

ATOM 2708 O ILE A 378 91, .087 46, ,287 10, .178 1. .00 50, .95 AAAA O

ATOM 2709 N PRO A 379 92 .615 46, .694 8, .592 1, .00 53 .43 AAAA N

ATOM 2710 CD PRO A 379 93, .620 46. .378 7. ,561 1. ,00 53. .58 AAAA C

ATOM 2711 CA PRO A 379 92, .697 48, .098 8. .978 1. ,00 53, .43 AAAA C

ATOM 2712 CB PRO A 379 93, .809 48, .630 8. .081 1, .00 53, .58 AAAA C

ATOM 2713 CG PRO A 379 94, .675 47. .415 7, ,848 1. ,00 53. .58 AAAA C

ATOM 2714 C PRO A 379 91, .384 48. .830 8. .745 1. .00 53, .43 AAAA C

ATOM 2715 O PRO A 379 90. .515 48, .362 7. .994 1. .00 53, .43 AAAA O

ATOM 2716 N PRO A 380 91. .239 49. ,990 9. .407 1. .00 70. .05 AAAA N

ATOM 2717 CD PRO A 380 92, .051 50, .201 10. .623 1. .00 78, .25 AAAA C

ATOM 2718 CA PRO A 380 90, .114 50. .924 9. .395 1. ,00 70, .05 AAAA C

ATOM 2719 CB PRO A 380 90, .455 51, .885 10. .540 1, ,00 78 .25 AAAA C

ATOM 2720 CG PRO A 380 91, .115 51. .013 11. .512 1. .00 78. .25 AAAA C

ATOM 2721 C PRO A 380 89, .909 51, .631 8. .068 1. .00 70, .05 AAAA C

ATOM 2722 O PRO A 380 89, .041 52. .469 7. .977 1. .00 70, .05 AAAA O

ATOM 2723 N HIS A 381 90, .693 51. .296 7. .048 1, .00 72. .74 AAAA N

ATOM 2724 CA HIS A 381 90, .467 51, .948 5. .753 1. ,00 72, .74 AAAA C

ATOM 2725 CB HIS A 381 91, .660 52, .817 5. ,323 1. .00 67, .83 AAAA C

ATOM 2726 CG HIS A 381 92, .920 52, .024 5, .111 1, ,00 67 .83 AAAA C

ATOM 2727 CD2 HIS A 381 93. .278 51. .196 4. .101 1. .00 67. .83 AAAA C

ATOM 2728 NDl HIS A 381 93, .926 51. .993 6. .033 1. .00 67, .83 AAAA N

ATOM 2729 CEl HIS A 381 94, .883 51. .171 5, .603 1. .00 67, .83 AAAA C

ATOM 2730 NE2 HIS A 381 94. .516 50. .683 4, .446 1. ,00 67, .83 AAAA N

ATOM 2731 C HIS A 381 90. .204 50. .903 4. .678 1. ,00 72. .74 AAAA C

ATOM 2732 O HIS A 381 89. .994 51. .229 3. .502 1. ,00 72, .74 AAAA O

ATOM 2733 N ALA A 382 90, .256 49, .648 5, .099 1. ,00 82, .24 AAAA N

ATOM 2734 CA ALA A 382 90. .018 48, ,514 4. ,245 1. ,00 82. .24 AAAA C

ATOM 2735 CB ALA A 382 90, .890 47, ,359 4. .629 1. .00 58, .98 AAAA C

ATOM 2736 C ALA A 382 88, .620 48, .167 4. .628 1. .00 82, .24 AAAA C

ATOM 2737 O ALA A 382 87, .952 47, .423 3, .911 1. .00 82, .24 AAAA O

ATOM 2738 N ARG A 383 88 .168 48, .679 5, .771 1. .00 77 .86 AAAA N

ATOM 2739 CA ARG A 383 86, .803 48, .372 6, .189 1, .00 77, .86 AAAA C

ATOM 2740 CB ARG A 383 86, .431 49, .121 7, .476 1. .00 92, .86 AAAA C

ATOM 2741 CG ARG A 383 87, .379 48, .670 8, .535 1. ,00 92, .86 AAAA C

ATOM 2742 CD ARG A 383 86 .963 48, .774 9, .982 1. .00 92 .86 AAAA C

ATOM 2743 NE ARG A 383 87 .551 47 .749 10 .759 1, .00 92 .86 AAAA N

ATOM 2744 CZ ARG A 383 87, .114 46, ,512 10, .620 1. ,00 92, .86 AAAA C

ATOM 2745 NHl ARG A 383 86 .161 46 .297 9 .746 1, ,00 92 .86 AAAA N

ATOM 2746 NH2 ARG A 383 87 .557 45, .484 11, .356 1. ,00 92, .86 AAAA N

ATOM 2747 C ARG A 383 85 .885 48, .762 5, .052 1. ,00 77, .86 AAAA C ATOM 2748 O ARG A 383 85.,795 49.,931 4,.716 1.,00 77.,86 AAAA O

ATOM 2749 N ILE A 384 85, .138 47. .834 4, .473 1, .00 98. ,72 AAAA N

ATOM 2750 CA ILE A 384 84. ,434 48. .302 3, .287 1, .00 98. ,72 AAAA C

ATOM 2751 CB ILE A 384 84. ,996 47. ,524 2. ,124 1. ,00 84. ,29 AAAA C

ATOM 2752 CG2 ILE A 384 84. 682 46. ,075 2. ,354 1. ,00 84. ,29 AAAA C

ATOM 2753 CGI ILE A 384 84. ,517 48, ,097 0, .791 1, .00 84. .29 AAAA C

ATOM 2754 GDI ILE A 384 85. ,584 47, ,940 -0. ,295 1, ,00 84. ,29 AAAA C

ATOM 2755 C ILE A 384 82, ,927 48, ,490 3, .047 1, ,00 98. ,72 AAAA C

ATOM 2756 O ILE A 384 82. ,092 47, ,623 3, ,331 1, .00 98. ,72 AAAA O

ATOM 2757 N ALA A 385 82. ,647 49. ,650 2, ,447 1, ,00 86. ,87 AAAA N

ATOM 2758 CA ALA A 385 81. .333 50, ,192 2. ,075 1. ,00 86. ,87 AAAA C

ATOM 2759 CB ALA A 385 80, ,139 49. .372 2. .678 1. .00 53. .29 AAAA C

ATOM 2760 C ALA A 385 81. .478 51, .501 2. .809 1. .00 86. .87 AAAA C

ATOM 2761 O ALA A 385 82. ,469 51. ,655 3. ,532 1. ,00 86. ,87 AAAA O

ATOM 2762 N ASP A 509 127. ,868 8. .835 8. .009 1. .00100. .40 AAAA N

ATOM 2763 CA ASP A 509 126. ,614 8. .181 8. .379 1. ,00100. .40 AAAA C

ATOM 2764 CB ASP A 509 125. .401 9. .041 7. .956 1. .00 82, .32 AAAA C

ATOM 2765 CG ASP A 509 125, .151 10, .228 8, .894 1, .00 82, .32 AAAA C

ATOM 2766 ODl ASP A 509 126. .122 10. .921 9. .258 1. .00 82. .32 AAAA O

ATOM 2767 OD2 ASP A 509 123. .980 10, .483 9. .245 1. .00 82, .32 AAAA O

ATOM 2768 C ASP A 509 126. .454 6, .768 7. .808 1. .00100. .40 AAAA C

ATOM 2769 O ASP A 509 126. .440 5. .807 8, .583 1, .00100, .40 AAAA O

ATOM 2770 N ALA A 510 126. .357 6. .646 6. .473 1. .00 81. .58 AAAA N

ATOM 2771 CA ALA A 510 126, .130 5. .339 5, .823 1. .00 81. .58 AAAA C

ATOM 2772 CB ALA A 510 127. .147 4. .300 6, .318 1. .00 59. .94 AAAA C

ATOM 2773 C ALA A 510 124, .733 5, .046 6 .387 1, .00 81, .58 AAAA C

ATOM 2774 O ALA A 510 124, .583 4, .836 7 .597 1, .00 81, .58 AAAA O

ATOM 2775 N ASP A 511 123, .735 4, .963 5 .512 1, .00 91, .14 AAAA N

ATOM 2776 CA ASP A 511 122, .325 4, .885 5 .907 1, .00 91, .14 AAAA C

ATOM 2777 CB ASP A 511 121 .626 3. .548 5 .942 1, .00 82 .17 AAAA C

ATOM 2778 CG ASP A 511 120 .205 3 .744 5 .456 1 .00 82 .17 AAAA C

ATOM 2779 ODl ASP A 511 119 .391 2 .820 5 .300 1 .00 82 .17 AAAA O

ATOM 2780 OD2 ASP A 511 119 .938 4 .949 5 .206 1 .00 82 .17 AAAA O

ATOM 2781 C ASP A 511 121 .997 5 .648 7 .134 1, .00 91. .14 AAAA C

ATOM 2782 O ASP A 511 121 .726 5 .133 8 .226 1 .00 91 .14 AAAA O

ATOM 2783 N PRO A 512 122 .040 6 .943 6 .923 1, .00 71 .72 AAAA N

ATOM 2784 CD PRO A 512 122 .371 7 .320 5 .533 1 .00 66 .11 AAAA C

ATOM 2785 CA PRO A 512 121 .806 8 .111 7 .738 1, .00 71, .72 AAAA C

ATOM 2786 CB PRO A 512 122 .017 9 .243 6 .735 1 .00 66 .11 AAAA C

ATOM 2787 CG PRO A 512 121 .657 8 .580 5 .371 1 .00 66 .11 AAAA C

ATOM 2788 C PRO A 512 120 .352 7 .941 8 .167 1 .00 71 .72 AAAA C

ATOM 2789 O PRO A 512 119 .966 8 .365 9 .249 1 .00 71 .72 AAAA O ATOM 2790 N ALA A 513 119.,565 7.,281 7.,317 1..00 51.,22 AAAA N

ATOM 2791 CA ALA A 513 118, ,160 7. ,050 7. ,611 1. ,00 51. ,22 AAAA C

ATOM 2792 CB ALA A 513 117, ,419 6. ,598 6. ,341 1. ,00 39. 61 AAAA C

ATOM 2793 C ALA A 513 117. ,969 6. ,033 8. ,728 1. 00 51. 22 AAAA C

ATOM 2794 O ALA A 513 117. ,169 6. ,234 9. ,668 1, ,00 51. ,22 AAAA O

ATOM 2795 N ARG A 514 118. ,712 4. ,936 8. ,626 1. ,00 55. ,01 AAAA N

ATOM 2796 CA ARG A 514 118, ,642 3. ,870 9. ,623 1. ,00 55. ,01 AAAA C

ATOM 2797 CB ARG A 514 119. ,225 2, ,577 9, ,021 1. ,00 88. ,61 AAAA C

ATOM 2798 CG ARG A 514 118. .975 1, ,316 9. ,856 1, ,00 88. ,61 AAAA C

ATOM 2799 CD ARG A 514 119. .222 0, ,024 9. ,054 1. ,00 88. ,61 AAAA C

ATOM 2800 NE ARG A 514 119. .694 0. .237 7. .676 1, ,00 88. ,61 AAAA N

ATOM 2801 CZ ARG A 514 119. ,950 -0. ,744 6. ,803 1. ,00 88. ,61 AAAA C

ATOM 2802 NHl ARG A 514 119. ,785 -2. ,021 7. ,151 1. ,00 88. ,61 AAAA N

ATOM 2803 NH2 ARG A 514 120. ,378 -0, ,455 5. ,578 1. .00 88. ,61 AAAA N

ATOM 2804 C ARG A 514 119. ,399 4, .292 10. ,865 1. .00 55. .01 AAAA C

ATOM 2805 O ARG A 514 119. ,150 3, ,777 11, ,945 1. .00 55, ,01 AAAA O

ATOM 2806 N LEU A 515 120, .311 5. .249 10, .728 1. .00 47. .09 AAAA N

ATOM 2807 CA LEU A 515 121, .093 5. .678 11, .891 1. .00 47. .09 AAAA C

ATOM 2808 CB LEU A 515 122. .345 6. .441 11. .441 1. .00 39. .53 AAAA C

ATOM 2809 CG LEU A 515 123, .190 7, .210 12, .467 1. .00 39. .53 AAAA C

ATOM 2810 CD1 LEU A 515 123, .678 6. .295 13. .566 1. .00 39. .53 AAAA C

ATOM 2811 CD2 LEU A 515 124, .370 7. .850 11. .749 1. .00 39. .53 AAAA C

ATOM 2812 C LEU A 515 120. .228 6. .543 12, .778 1, ,00 47. .09 AAAA C

ATOM 2813 O LEU A 515 120. .323 6. .484 14. .006 1. .00 47. .09 AAAA O

ATOM 2814 N LEU A 516 119, .373 7, .328 12, .131 1, .00 49, .35 AAAA N

ATOM 2815 CA LEU A 516 118, .475 8, .215 12, .831 1. .00 49, .35 AAAA C

ATOM 2816 CB LEU A 516 117, .797 9, ,154 11, .845 1, .00 36, .74 AAAA C

ATOM 2817 CG LEU A 516 116 .819 10 .177 12 .422 1, .00 36 .74 AAAA C

ATOM 2818 CD1 LEU A 516 117 .478 10 .976 13 .541 1, .00 36 .74 AAAA C

ATOM 2819 CD2 LEU A 516 116 .357 11, .090 11, .317 1, .00 36 .74 AAAA C

ATOM 2820 C LEU A 516 117 .434 7 .409 13 .589 1 .00 49 .35 AAAA C

ATOM 2821 O LEU A 516 117 .087 7. .740 14 .729 1, .00 49, .35 AAAA O

ATOM 2822 N ALA A 517 116 .946 6. .346 12 .957 1. .00 49, .11 AAAA N

ATOM 2823 CA ALA A 517 115 .939 5. .499 13 .582 1, .00 49 .11 AAAA C

ATOM 2824 CB ALA A 517 115 .400 4 .478 12 .580 1, .00 37 .54 AAAA C

ATOM 2825 C ALA A 517 116 .552 4 .797 14 .778 1, .00 49 .11 AAAA C

ATOM 2826 O ALA A 517 115 .869 4 .523 15 .760 1 .00 49 .11 AAAA O

ATOM 2827 N GLN A 518 117 .844 4 .502 14 .703 1 .00 36 .74 AAAA N

ATOM 2828 CA GLN A 518 118 .500 3 .841 15 .825 1, .00 36 .74 AAAA C

ATOM 2829 CB GLN A 518 119 .898 3 .357 15 .453 1, .00 71 .32 AAAA C

ATOM 2830 CG GLN A 518 119 .949 1 .903 15 .078 1 .00 71 .32 AAAA C

ATOM 2831 CD GLN A 518 119 .299 1 .013 16 .115 1, .00 71 .32 AAAA C ATOM 2832 OEl GLN A 518 118..918 1,.467 17..189 1..00 71..32 AAAA O

ATOM 2833 NE2 GLN A 518 119, .178 -0, .267 15, .800 1, .00 71, .32 AAAA N

ATOM 2834 C GLN A 518 118. ,610 4. ,787 17, .001 1, ,00 36. .74 AAAA C

ATOM 2835 O GLN A 518 118, ,414 4, .387 18, .145 1. ,00 36, .74 AAAA O

ATOM 2836 N LEU A 519 118, .934 6. .044 16. .707 1. ,00 48, .83 AAAA N

ATOM 2837 CA LEU A 519 119. .070 7. .063 17. .732 1. .00 48. .83 AAAA C

ATOM 2838 CB LEU A 519 119, .636 8, .338 17. .119 1. .00 52, .43 AAAA C

ATOM 2839 CG LEU A 519 121. ,110 8. , 696 17. .360 1, ,00 52, .43 AAAA C

ATOM 2840 CD1 LEU A 519 121, .934 7. .503 17. .809 1. .00 52, .43 AAAA C

ATOM 2841 CD2 LEU A 519 121. ,657 9. ,271 16. .071 1, ,00 52. .43 AAAA C

ATOM 2842 C LEU A 519 117, .726 7. ,344 18. .391 1. ,00 48. .83 AAAA C

ATOM 2843 O LEU A 519 117, .655 7. .529 19. .610 1, .00 48, .83 AAAA O

ATOM 2844 N VAL A 520 116. .664 7. .356 17. .589 1. .00 38, .24 AAAA N

ATOM 2845 CA VAL A 520 115, .321 7. .612 18. .102 1. .00 38, .24 AAAA C

ATOM 2846 CB VAL A 520 114. .313 7. .863 16. .956 1. ,00 26, .17 AAAA C

ATOM 2847 CGI VAL A 520 112. ,920 8. .060 17. .518 1. ,00 26. .17 AAAA C

ATOM 2848 CG2 VAL A 520 114, .729 9. .079 16. .157 1. .00 26, .17 AAAA C

ATOM 2849 C VAL A 520 114, .819 6. .449 18. .951 1. .00 38. .24 AAAA C

ATOM 2850 O VAL A 520 114, .216 6. .657 19. .999 1. ,00 38. .24 AAAA O

ATOM 2851 N LEU A 521 115. ,064 5. ,223 18. .503 1, ,00 45. .73 AAAA N

ATOM 2852 CA LEU A 521 114, .628 4, .043 19. .253 1, .00 45, .73 AAAA C

ATOM 2853 CB LEU A 521 114, .687 2. .788 18. .368 1. .00 37, .87 AAAA C

ATOM 2854 CG LEU A 521 113, .654 2. .622 17, .245 1, ,00 37, .87 AAAA C

ATOM 2855 GDI LEU A 521 114, .020 1, .410 16, .388 1, .00 37 .87 AAAA C

ATOM 2856 CD2 LEU A 521 112, .256 2, .468 17, .839 1. .00 37, .87 AAAA C

ATOM 2857 C LEU A 521 115, .485 3. .823 20, .501 1. .00 45, .73 AAAA C

ATOM 2858 O LEU A 521 114, .974 3. .426 21. .548 1. .00 45, .73 AAAA O

ATOM 2859 N SER A 522 116, .785 4. .076 20. .379 1. ,00 38, .19 AAAA N

ATOM 2860 CA SER A 522 117, .704 3, .903 21, .497 1. ,00 38, .19 AAAA C

ATOM 2861 CB SER A 522 119, .142 3, .769 21. .000 1. , 00 42, .23 AAAA C

ATOM 2862 OG SER A 522 119, .705 5, .043 20, .758 1. .00 42, .23 AAAA O

ATOM 2863 C SER A 522 117 .636 5, .075 22, .470 1, .00 38 .19 AAAA C

ATOM 2864 O SER A 522 117, ,921 4. .912 23. .657 1, ,00 38, .19 AAAA O

ATOM 2865 N GLY A 523 117 .270 6, .253 21, .960 1. ,00 32, .99 AAAA N

ATOM 2866 CA GLY A 523 117 .182 7 .433 22 .802 1, .00 32 .99 AAAA C

ATOM 2867 C GLY A 523 118, .547 8, .053 23. .061 1, ,00 32, .99 AAAA C

ATOM 2868 O GLY A 523 118 .920 8, .272 24, .211 1. .00 32 .99 AAAA O

ATOM 2869 N ASN A 524 119, .281 8, .326 21, .983 1, .00 42, .91 AAAA N

ATOM 2870 CA ASN A 524 120 .616 8, .915 22, .055 1. .00 42 .91 AAAA C

ATOM 2871 CB ASN A 524 121 .686 7, .846 21, .813 1. .00 47 .27 AAAA C

ATOM 2872 CG ASN A 524 121 .790 6, .856 22, .955 1. .00 47 .27 AAAA C

ATOM 2873 ODl ASN A 524 122 .027 7 .239 24 .095 1. .00 47 .27 AAAA O ATOM 2874 ND2 ASN A 524 121..612 5.,579 22.,653 1.,00 47..27 AAAA N

ATOM 2875 C ASN A 524 120. .795 10. ,023 21. ,022 1. ,00 42. ,91 AAAA C

ATOM 2876 O ASN A 524 121, .917 10, .470 20. .765 1, ,00 42. .91 AAAA O

ATOM 2877 N LEU A 525 119, ,684 10. ,458 20. ,435 1. 00 46. ,13 AAAA N

ATOM 2878 CA LEU A 525 119, .706 11. .501 19, .421 1. ,00 46. .13 AAAA C

ATOM 2879 CB LEU A 525 118. .287 11. .741 18. ,897 1. 00 30. ,86 AAAA C

ATOM 2880 CG LEU A 525 118, .201 12. .922 17. .934 1. ,00 30. ,86 AAAA C

ATOM 2881 CD1 LEU A 525 119. .103 12, ,675 16. .734 1. ,00 30. .86 AAAA C

ATOM 2882 CD2 LEU A 525 116. .759 13, ,126 17. ,520 1. 00 30. ,86 AAAA C

ATOM 2883 C LEU A 525 120, .328 12, ,839 19. ,849 1. ,00 46, .13 AAAA C

ATOM 2884 O LEU A 525 121. .103 13. ,427 19. .093 1. ,00 46. .13 AAAA O

ATOM 2885 N ILE A 526 119, .994 13, .324 21, .042 1. .00 42, .41 AAAA N

ATOM 2886 CA ILE A 526 120, .543 14. .598 21. .501 1, .00 42. .41 AAAA C

ATOM 2887 CB ILE A 526 119, .758 15, .132 22. .709 1. ,00 31. .75 AAAA C

ATOM 2888 CG2 ILE A 526 120. .329 16. .472 23. .159 1. .00 31. .75 AAAA C

ATOM 2889 CGI ILE A 526 118. .295 15, ,297 22. .313 1. ,00 31. .75 AAAA C

ATOM 2890 GDI ILE A 526 117, .403 15, ,702 23, .425 1. .00 31. .75 AAAA C

ATOM 2891 C ILE A 526 122, .008 14, .402 21, .863 1, .00 42. .41 AAAA C

ATOM 2892 O ILE A 526 122, .857 15, .264 21, .648 1. .00 42. .41 AAAA O

ATOM 2893 N LYS A 527 122, .283 13, .232 22. .403 1. .00 39. .68 AAAA N

ATOM 2894 CA LYS A 527 123. .620 12, .836 22. .783 1. ,00 39. .68 AAAA C

ATOM 2895 CB LYS A 527 123. .512 11, .463 23, .433 1. .00 52, .53 AAAA C

ATOM 2896 CG LYS A 527 124. .751 10. .850 24. .018 1. .00 52, .53 AAAA C

ATOM 2897 CD LYS A 527 124. .291 9, .660 24, .836 1, .00 52, .53 AAAA C

ATOM 2898 CE LYS A 527 123, .286 10, .140 25, .890 1. ,00 52, .53 AAAA C

ATOM 2899 NZ LYS A 527 122, .417 9, .100 26, .484 1. ,00 52, .53 AAAA N

ATOM 2900 C LYS A 527 124 .470 12 .782 21 .507 1. .00 39 .68 AAAA C

ATOM 2901 O LYS A 527 125, .538 13, .393 21, .429 1. ,00 39, .68 AAAA O

ATOM 2902 N GLU A 528 123 .992 12 .066 20 .494 1, .00 36 .57 AAAA N

ATOM 2903 CA GLU A 528 124, .759 11, .968 19 .259 1. .00 36 .57 AAAA C

ATOM 2904 CB GLU A 528 124 .155 10 .932 18 .311 1. .00 73 .61 AAAA C

ATOM 2905 CG GLU A 528 125 .014 10 .662 17 .076 1, .00 73 .61 AAAA C

ATOM 2906 CD GLU A 528 126 .505 10 .628 17 .394 1. .00 73 .61 AAAA C

ATOM 2907 OEl GLU A 528 126 .873 10 .216 18 .521 1 .00 73 .61 AAAA O

ATOM 2908 OE2 GLU A 528 127 .311 11. .010 16 .512 1. .00 73 .61 AAAA O

ATOM 2909 C GLU A 528 124 .857 13 .305 18 .553 1, .00 36 .57 AAAA C

ATOM 2910 O GLU A 528 125 .876 13 .612 17 .937 1, .00 36 .57 AAAA O

ATOM 2911 N ALA A 529 123 .800 14 .106 18 .646 1, .00 38 .32 AAAA N

ATOM 2912 CA ALA A 529 123 .805 15 .407 18 .002 1. .00 38 .32 AAAA C

ATOM 2913 CB ALA A 529 122 .435 16 .070 18 .132 1. .00 37 .70 AAAA C

ATOM 2914 C ALA A 529 124 .879 16 .261 18 .650 1 .00 38 .32 AAAA C

ATOM 2915 O ALA A 529 125 .712 16 .843 17 .963 1, .00 38 .32 AAAA O ATOM 2916 N VAL A 530 124.,884 16..313 19..977 1.,00 39.,72 AAAA N

ATOM 2917 CA VAL A 530 125. ,876 17. .126 20, .676 1. ,00 39. ,72 AAAA C

ATOM 2918 CB VAL A 530 125. ,606 17. ,167 22. .187 1. ,00 41. ,29 AAAA C

ATOM 2919 CGI VAL A 530 126, ,749 17, .862 22, .901 1. .00 41. ,29 AAAA C

ATOM 2920 CG2 VAL A 530 124. ,299 17. ,912 22, .457 1. ,00 41. ,29 AAAA C

ATOM 2921 C VAL A 530 127. ,325 16. .708 20. ,433 1. ,00 39. ,72 AAAA C

ATOM 2922 O VAL A 530 128. ,195 17. ,562 20, ,312 1. ,00 39, ,72 AAAA O

ATOM 2923 N ARG A 531 127. ,595 15. .409 20, .352 1. .00 53. .37 AAAA N

ATOM 2924 CA ARG A 531 128. ,963 14. .939 20, ,114 1. ,00 53, ,37 AAAA C

ATOM 2925 CB ARG A 531 129, ,024 13. .405 20, .100 1. .00 64. ,05 AAAA C

ATOM 2926 CG ARG A 531 130. .421 12, .850 19, ,823 1. .00 64. ,05 AAAA C

ATOM 2927 CD ARG A 531 130. ,415 11. .357 19, ,492 1. ,00 64. ,05 AAAA C

ATOM 2928 NE ARG A 531 129. ,973 11, .086 18, ,121 1. ,00 64, ,05 AAAA N

ATOM 2929 CZ ARG A 531 130. ,678 11, ,381 17. ,029 1. ,00 64. ,05 AAAA C

ATOM 2930 NHl ARG A 531 131. ,872 11. .954 17, ,137 1. .00 64, .05 AAAA N

ATOM 2931 NH2 ARG A 531 130. .187 11. .116 15, .821 1. .00 64. .05 AAAA N

ATOM 2932 C ARG A 531 129. .518 15, .453 18, .798 1. .00 53. .37 AAAA C

ATOM 2933 O ARG A 531 130. ,660 15. .917 18. .721 1. .00 53. ,37 AAAA O

ATOM 2934 N ARG A 532 128. ,705 15. .357 17. .756 1. .00 51. ,17 AAAA N

ATOM 2935 CA ARG A 532 129. .093 15. .784 16, .407 1, .00 51. .17 AAAA C

ATOM 2936 CB ARG A 532 127, .982 15, .424 15, .446 1, .00 54. .97 AAAA C

ATOM 2937 CG ARG A 532 127, .705 13, .967 15, .434 1, .00 54. .97 AAAA C

ATOM 2938 CD ARG A 532 126, .581 13, .651 14, .543 1. .00 54, .97 AAAA C

ATOM 2939 NE ARG A 532 126, .636 12, .241 14, .232 1, .00 54, .97 AAAA N

ATOM 2940 CZ ARG A 532 126, .248 11, .745 13, .072 1, .00 54, .97 AAAA C

ATOM 2941 NHl ARG A 532 125, .773 12, ,555 12, .129 1, .00 54, .97 AAAA N

ATOM 2942 NH2 ARG A 532 126, .357 10, .448 12, .844 1, .00 54, . 91 AAAA N

ATOM 2943 C ARG A 532 129, .367 17, .252 16, .313 1, .00 51, .17 AAAA C

ATOM 2944 O ARG A 532 130 .175 17 .721 15 .513 1 .00 51 .17 AAAA O

ATOM 2945 N LEU A 533 128, .631 17. .967 17, .140 1. .00 45. .45 AAAA N

ATOM 2946 CA LEU A 533 128, .706 19, .420 17, .283 1, .00 45, .45 AAAA C

ATOM 2947 CB LEU A 533 127. .678 19, .845 18, .339 1, .00 50, .91 AAAA C

ATOM 2948 CG LEU A 533 127 .346 21, .297 18 .713 1, .00 50, .91 AAAA C

ATOM 2949 CD1 LEU A 533 126 .724 22 .063 17 .534 1 .00 50 .91 AAAA C

ATOM 2950 CD2 LEU A 533 126 .349 21 .233 19 .855 1, .00 50 .91 AAAA C

ATOM 2951 C LEU A 533 130 .101 19 .852 17 .733 1 .00 45 .45 AAAA C

ATOM 2952 O LEU A 533 130 .674 20 .843 17 .265 1 .00 45 .45 AAAA O

ATOM 2953 N HIS A 534 130 .616 19 .096 18 .683 1 .00 64 .09 AAAA N

ATOM 2954 CA HIS A 534 131 .921 19 .333 19 .267 1 .00 64 .09 AAAA C

ATOM 2955 CB HIS A 534 131 .925 18 .741 20 .667 1 .00 61 .32 AAAA C

ATOM 2956 CG HIS A 534 130 .910 19 .356 21 .577 1 .00 61 .32 AAAA C

ATOM 2957 CD2 HIS A 534 130 .283 20 .557 21 .520 1 .00 61 .32 AAAA C fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc . fc fc fc fc fc fc fc fc . fc fc fc H fc fc fc fc fc fc fc fc fc fc ι-3 i-3 ι-3 H ι-3 H H ι-3 HI HI Hi HI H! t-3 H ι-3 H H H 1-3 ι-3 HI H H ι-3 ι-3 HI H ι-3 CO HI H ι-3 HI H t-3 H t-3 HI H H d d d d d d d d d Q o o d d d d d d d d d d Ω Ω d d d d d to d d d d d d d d d d d

3 3 3 3 3 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 to to DO to DO DO to to to DO DO DO t DO DO to to DO DO to to to t to to DO to to DO to to DO t to to to to t to to to D

VD vo VD vo VD O VD VD VD VD VO VO VD vo VO VD VD VO VD VD VD vo VD VD VD VD vo vo VO vo vo VD VD vo vo VD vo vo vo VD VD V

VO vo O vo VD VO VD VO VO VD CO CO 00 CO 00 CO 03 CO CO 03 -J -o -J -J -J -~J -J o -0 -0 cn cn cn cn cn CΛ CΛ CΛ CΛ cn in L

VO 03 cn LΠ φ. LO DO I-¹ o VO CO -0 CΛ LΠ φ. 0J DO H o VD 03 -J cn LΠ φ. OJ DO H o vo CO cn LΠ Φ- 00 to I-¹ o vo C

Ω d d Ω Ω Ω S3 d Ω SS i> Ω X Ω Ω Ω Ω S3 d Ω d Ω Ω S3 Ω S3 d Ω Ω d d Ω d Ω Ω S3 d Ω S3 Ω α α Ω ω fc ffi ffi N CO α Ω 03 fc Ω to fc fc to H Ω ω fc to to to to * to H¹ fc fc fc fc fc fc fc cn Cn cn cn cf cn cn co cn cn cn CO cn ffi ffi ffi ffi cn cn cn cn cn cn cn |> g to CO to CO CO to CO CO to O t H H H

X 13 13 13 13 t) 13 Ω s Ω Ω f Ώo i Ωs i Ωs f Ωs i Ωs 3 ≥ cn CO O CO to

Ω Ω X to to to to X gfc E ≥ fc fc g fc fc to to X to X X X X cn ω CQ to C to to to ω to to to to to t to to to ω to to 03 to X 03 to to to to 03 to 03 to to fc fc fc fc fc fc fc fc fc fc fc fc in LΠ Π in m m LΠ in LΠ LΠ in LΠ i

CO 00 LO LO co LO oo 00 LO OJ OJ LO OJ OJ LO 00 OJ OJ DO DO DO DO to DO DO to DO to DO OJ LO LO LO LO LO LO co oo LO O co c

H H H H H H o o o o o o o o o o o VD VD VD vo VD VD co 03 03 oo 00 m in LΠ in in in in LΠ φ. φ. Φ- Φ-

l-> H¹ I-¹ I-¹ H¹ (-^> I-¹ H¹ H f-¹ H

O o o o O O O o O O O O O o o o o o O O O O O O J co LO 0J LO OJ LO LO DO to L φ> φ. cn Φ- 00 J φ. LO VO 03 00 -J cn φ. oo OJ to DO 00 DO OJ Φ- OJ to CO cn φ. co LO to Φ- 00 VD VD

VD -0. o 03 CΛ vo Φ- oo 00 co 03 -0 o to I-¹ co 0J o 0J Φ- 0J o o LΠ -0 OJ Φ- LO co φ- I-¹ I-¹ VD LO -a -a to o Φ- in oo O o -J Φ- 03 in φ- ] o cn LO in cn Φ. in o J ! vo t CO CΛ H l-> o O en o CΛ in CO in vo in o cn LΠ cn Φ in CΛ φ. in VO to cn to VD o φ. cn CΛ -j o I-¹ o -J LΠ to co to o DO 0J CD oo ι φ. 03 CO LO cn VD CO DO o LO en

CΛ CΛ CΛ en cn cn cn CΛ cn -o cn cn cn cn cn cn en cn cn cn α. -o -o -O 1 1 H H¹ H DO H¹ O H CO to to co φ. in in o 03 vo o VD CO -a 00 vo VD vo vo o H 00 φ- DO DO CO 00 00 CO in cn --a CO 00 CO o VD 0

CD CΛ LΠ t cn in oo 03 03 - vo LO LO -j DO H H σ. to CΛ Φ- t-> LO CΛ VD Φ- Φ- Φ- o VD DO DO o Φ. o 03 en cn 03 Φ- LO m CO cn H in LΠ vo 00 O DO VD VD VD CO φ. VD to VD 03 in φ. in in 0J cn Φ- o Lπ H en DO t t 00 00 00 CO o o ι in OJ 03 o VD DO in VD 00 Φ- LΠ φ. m CO cn co H LΠ Lπ to CO VD LO

CΛ CΛ en CΛ •o -o -0 CΛ CΛ n -J -J. -o -o -0 l 1 ~0 -0 -a -J cn H H¹ I-¹ 1-^J DO to D VD VD VD o o H H 03 00 vo O o o o o H φ- LO to f-> to H vo Φ- m in CΛ CΛ CO CO t CO D

00 VO φ- O VD in 00 o in 00 to 0J o H to LΠ en o t LΠ to LO H in 0J 00 cn 00 LO LO to LΠ LO 00 φ- cn LO - m in VD 00 cn LO J in O cn cn LΠ in oo H cn •o LO 03 en DO ! H DO 0J o cn LO LΠ LΠ CO LΠ o LO to oo VD CO en LΠ o CO in o 03 VD vo VD DO VD 03 l-¹ O LO CO cn O Φ- cn to O o LΠ co φ- in oo Φ

H> H» I-¹ H H M H H (-> κ> H l-¹ H H H H H H H H H H H H H H i^ H H H H I-¹ I-¹ H H H¹ (- o o o O o σ o o o o o o O o O o o o o o o o o o O O O O O O O o o O O o o o o o

O o O o o o o o o o o o O o o o o o o o o o o o O O O O O O O o o O o o o o o o cn CΛ cn CΛ cn cn CΛ CΛ cn ι "-J -J CΛ cn VO VD CO 03 vo o 03 oo co CO Φ- l en en -j CΛ cn cn cn cn CΛ C o φ. Φ- φ. Φ- o o VD vo o o o o o o o vo D 0J 0J o O 0J 0J φ. Φ- φ. φ. o VD φ. Φ- VD vo φ. φ. φ- φ. in cn CΛ CΛ LΠ LΠ cn OJ OJ co o co co co cn cn vo to to vo φ. Φ- φ. Φ- φ. VD to O t t O co LO 0

CΛ cn CΛ cn CΛ en OJ co co oo oo oo co oo oo OJ OJ OJ OJ oo OJ oo OJ OJ LO O LO O O vo DO DO D

03 03 03 -O tO - tO tO -O tO t tO D3 -O tύ ω 03 03 r3 t ω tϋ tα 03 03 ω to o3 tύ ω o3 rj3 θ3 -o o3 θ3 rj3 ω to to o3 tα tύ to to o3 θ3 ω o3 to -α ω ω ω ω ω ω ω ω ω ω ω ω ω td ω ω o3 ω o3 ω ω ω ω ω o3 ω ω o3 ω d to to tϋ tϋ ω to tύ -d θ3 ω ω ω to to o3 -fl -o to to ω to td ω

Ω d d Ω Ω Ω i-, d Ω S3 --i O S; Ω Ω Ω Ω --i d Ω d Ω Ω S3 Ω S3 d Ω Ω Ω d Ω d Ω Ω S3 d Ω --i Ω --

ATOM 3000 O ASP B 31 106.025 63.,454 72.,208 1.,00 60.56 BBBB O

ATOM 3001 N LYS B 32 104. ,642 61. ,658 72, .202 1. .00 66. ,77 BBBB N

ATOM 3002 CA LYS B 32 105. ,460 60. ,791 73. .046 1. ,00 66. ,77 BBBB C

ATOM 3003 CB LYS B 32 104. ,873 59. .375 72. .989 1. .00 91. ,17 BBBB C

ATOM 3004 CG LYS B 32 103. 438 59. ,358 73. .519 1. ,00 91. ,17 BBBB C

ATOM 3005 CD LYS B 32 102. .819 57. .989 73, .630 1. .00 91. .17 BBBB C

ATOM 3006 CE LYS B 32 103. ,568 57. ,130 74, .623 1. ,00 91. .17 BBBB C

ATOM 3007 NZ LYS B 32 103. ,021 55. ,740 74. ,656 1. .00 91. ,17 BBBB N

ATOM 3008 C LYS B 32 106. ,954 60. ,763 72. .725 1. .00 66. ,77 BBBB C

ATOM 3009 O LYS B 32 107. ,776 60 . ,760 73. .638 1. ,00 66 . ,77 BBBB O

ATOM 3010 N ALA B 33 107. .307 60. ,755 71. .441 1. .00 57. ,16 BBBB N

ATOM 3011 CA ALA B 33 108. ,720 60. .723 71, .060 1. ,00 57, .16 BBBB C

ATOM 3012 CB ALA B 33 108. .893 59. .981 69, .729 1, .00 41. .48 BBBB C

ATOM 3013 C ALA B 33 109. ,385 62. .114 70, .987 1. .00 57. .16 BBBB C

ATOM 3014 O ALA B 33 110. .605 62. .215 70. .883 1, .00 57. .16 BBBB O

ATOM 3015 N GLY B 34 108, ,590 63. .179 71. .042 1, .00 50. .83 BBBB N

ATOM 3016 CA GLY B 34 109, ,150 64. .515 70. .968 1. .00 50. ,83 BBBB C

ATOM 3017 C GLY B 34 108. .795 65. .201 69, .662 1. .00 50. .83 BBBB C

ATOM 3018 O GLY B 34 108. .970 66. .407 69, .500 1. .00 50. .83 BBBB O

ATOM 3019 N SER B 35 108. .269 64. .438 68, .714 1. .00 39. .82 BBBB N

ATOM 3020 CA SER B 35 107. .905 65. .014 67. ,430 1, ,00 39. .82 BBBB C

ATOM 3021 CB SER B 35 107. .652 63, .901 66, .425 1, .00 76, .32 BBBB C

ATOM 3022 OG SER B 35 108. .859 63, .189 66, .190 1, .00 76. .32 BBBB O

ATOM 3023 C SER B 35 106. .697 65. .925 67, .537 1, . 00 39. .82 BBBB C

ATOM 3024 O SER B 35 105. .792 65. .680 68, .333 1. .00 39, .82 BBBB O

ATOM 3025 N ALA B 36 106, .673 66, .955 66, .687 1, .00 84, .57 BBBB N

ATOM 3026 CA ALA B 36 105, .605 67, .991 66, .651 1, .00 84, .57 BBBB C

ATOM 3027 CB ALA B 36 106. .206 69 . .314 66 , .146 1, .00 43, .61 BBBB C

ATOM 3028 C ALA B 36 104. .289 67, .731 65, .887 1, .00 84. .57 BBBB C

ATOM 3029 O ALA B 36 104, .145 68, .204 64. .772 1. .00 84, .57 BBBB O

ATOM 3030 N VAL B 37 103, .314 67. .062 66, ,501 1, .00 64, .86 BBBB N

ATOM 3031 CA VAL B 37 102, .026 66 . .799 65, .842 1, .00 64, .86 BBBB c

ATOM 3032 CB VAL B 37 101 .006 66 .218 66 .844 1 .00 49 .00 BBBB c

ATOM 3033 CGI VAL B 37 99, .663 66 . .022 66 , .171 1, .00 49, .00 BBBB c

ATOM 3034 CG2 VAL B 37 101 .531 64 .922 67, .426 1. .00 49 .00 BBBB c

ATOM 3035 C VAL B 37 101 .315 67 .956 65, .113 1. .00 64 .86 BBBB c

ATOM 3036 O VAL B 37 100 .702 68 .808 65, .750 1. .00 64 .86 BBBB 0

ATOM 3037 N THR B 38 101 .386 67 .957 63 .782 1 .00 45 .00 BBBB N

ATOM 3038 CA THR B 38 100 .724 68 .961 62 .947 1 .00 45 .00 BBBB c

ATOM 3039 CB THR B 38 101 .470 69 .193 61 .609 1 .00 51 .70 BBBB c

ATOM 3040 OG1 THR B 38 102 .676 69 .932 61, .836 1 . 00 51 .70 BBBB 0

ATOM 3041 CG2 THR B 38 100 .598 69 .952 60 .642 1 .00 51 .70 BBBB c ATOM 3042 C THR B 38 99.,355 68.,390 62,,613 1.,00 45,.00 BBBB C

ATOM 3043 O THR B 38 99. ,251 67. .271 62, ,099 1. ,00 45, .00 BBBB O

ATOM 3044 N THR B 39 98, ,310 69, .148 62, ,932 1. ,00 66. ,50 BBBB N

ATOM 3045 CA THR B 39 96. ,932 68, .750 62, .662 1. ,00 66. ,50 BBBB C

ATOM 3046 CB THR B 39 96. .047 68. ,833 63. ,926 1. 00 58, ,82 BBBB C

ATOM 3047 OG1 THR B 39 96, ,573 67. .970 64. ,940 1. ,00 58, ,82 BBBB O

ATOM 3048 CG2 THR B 39 94, .621 68. .401 63, .607 1. ,00 58. .82 BBBB C

ATOM 3049 C THR B 39 96. ,387 69. .737 61, ,646 1. ,00 66. .50 BBBB C

ATOM 3050 0 THR B 39 96. ,666 70, .934 61. ,725 1. ,00 66. .50 BBBB O

ATOM 3051 N VAL B 40 95. ,610 69. .245 60. .691 1. ,00 43. .35 BBBB N

ATOM 3052 CA VAL B 40 95. ,047 70, .129 59. .680 1. ,00 43, .35 BBBB C

ATOM 3053 CB VAL B 40 95. ,980 70, .266 58, .427 1. ,00 60. .67 BBBB C

ATOM 3054 CGI VAL B 40 96. .798 71. .539 58. .521 1, ,00 60, ,67 BBBB C

ATOM 3055 CG2 VAL B 40 96. .913 69. .072 58, .321 1, ,00 60, .67 BBBB C

ATOM 3056 C VAL B 40 93. .685 69. .655 59. .212 1, .00 43, .35 BBBB C

ATOM 3057 O VAL B 40 93, .289 68, .509 59. .438 1. ,00 43, .35 BBBB O

ATOM 3058 N VAL B 41 92. ,964 70. .562 58. ,572 1, .00 37, .14 BBBB N

ATOM 3059 CA VAL B 41 91. .656 70. .249 58. .035 1. ,00 37. .14 BBBB C

ATOM 3060 CB VAL B 41 90, .726 71. .452 58. .162 1. ,00 45, .18 BBBB C

ATOM 3061 CGI VAL B 41 89. .403 71, .172 57. .469 1. ,00 45, .18 BBBB C

ATOM 3062 CG2 VAL B 41 90. .518 71, .750 59, .632 1, .00 45, .18 BBBB C

ATOM 3063 C VAL B 41 91. .922 69, .920 56. .577 1. ,00 37, .14 BBBB C

ATOM 3064 O VAL B 41 92, .297 70, .791 55, .795 1, .00 37. .14 BBBB O

ATOM 3065 N ALA B 42 91. .739 68. .656 56. .215 1. ,00 55, .26 BBBB N

ATOM 3066 CA ALA B 42 92. .029 68, .226 54. .858 1. ,00 55, ,26 BBBB C

ATOM 3067 CB ALA B 42 93. .143 67. .182 54. ,884 1. .00 49, .64 BBBB C

ATOM 3068 C ALA B 42 90, .853 67, .679 54, .082 1. .00 55. .26 BBBB C

ATOM 3069 O ALA B 42 89 .836 67 .290 54 .650 1, .00 55 .26 BBBB O

ATOM 3070 N THR B 43 91, .020 67. .653 52, .766 1, .00 44 .49 BBBB N

ATOM 3071 CA THR B 43 90, .019 67. .120 51, .864 1, .00 44 .49 BBBB C

ATOM 3072 CB THR B 43 89, .641 68, .126 50, .766 1, .00 43. .62 BBBB C

ATOM 3073 OG1 THR B 43 89 .141 69 .328 51 .351 1, .00 43 .62 BBBB O

ATOM 3074 CG2 THR B 43 88 .582 67 .538 49 .868 1 .00 43 .62 BBBB C

ATOM 3075 C THR B 43 90 .606 65 .892 51 .157 1 .00 44 .49 BBBB C

ATOM 3076 O THR B 43 91 .752 65 .907 50 .698 1 .00 44 .49 BBBB O

ATOM 3077 N PRO B 44 89, .844 64 .798 51, .103 1, .00 43 .91 BBBB N

ATOM 3078 CD PRO B 44 88 .624 64 .482 51 .870 1 .00 54 .77 BBBB C

ATOM 3079 CA PRO B 44 90 .362 63 .612 50 .418 1 .00 43 .91 BBBB C

ATOM 3080 CB PRO B 44 89 .330 62 .540 50 .769 1 .00 54 .77 BBBB C

ATOM 3081 CG PRO B 44 88 .783 63 .002 52 .109 1 .00 54 .77 BBBB C

ATOM 3082 C PRO B 44 90 .318 63 .986 48 .936 1 .00 43 .91 BBBB C

ATOM 3083 O PRO B 44 89 .376 64 .653 48 .523 1 .00 43 .91 BBBB O fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

H HI t-3 HI H t-3 Hi H H HI HI Hi Hi Hi H H H t-3 t-3 H t-3 t-3 t-3 ι-3 ι-3 Hi H t-3 H H HI Hi t-3 H t-3 t-3 t-3 t-3 Hi HI HI o O O O d d d d d d O O d d d d Q d d d O O d O d d d d d d d d d d d d d O d d

2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 2 2 2 2 2 2 2 3 2 s 2

00 LO LO OJ LO 00 OJ LO CO co CO LO 00 LO LO LO LO LO OJ vo CO OJ OJ OJ OJ LO CO OJ co 00 00 LO LO LO OJ OJ oo LO OJ oo Lo L h-> H H H H M H H H H H H H H t-> H w l-¹ H H H t-> l-¹ H l-> o o o o o O o o o o o o o o O to to DO to DO to H H l-¹ H I-¹ H H H H H O o o o o O o o o o VD vo vo o vo vo VD VD vo vo CO CO CO CD 00 C

Lπ Φ- J to H o VO CO _^J cn LΠ Φ> 00 to H o VD CO ~J cn LΠ Φ- 0J to H¹ O VD CO -J cn in φ. LO DO H o VD CO -J cn in φ

Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d O Ω Ω S3 d Ω d O Ω Ω Ω X d Ω Ω ≥! d Ω Ω S3 d α O Ω Ω SS d Ω S

Ω CO t) to o fc Ω to fc α ω cf DO Ω fc l-¹ fc fc to fc fc

Ω Ω Ω Ω Ω 13 •O X 13 13 13 13 fc cf f c fc c fc f Ω Ω Ω Ω Ω Ω Ω Ω fc

X X X X X to to X to to t to ≥ -_! fc cn c f f fc n cn c fc cn cn cn cn cn f

13 [S F X X X X X X X s g fc M Ω Ω Ω

X X X F S S3 SS S3 X d d O d d O d fc fc fc 13 13 13 13 13 13 13 13 Ki Ki Ki i K Ki Ki κl fc fc fc fc Ki Kj Ki

03 03 to to to to to to 03 to 03 X to t to to to to 03 03 to to 03 03 to X to 03 03 X 03 to to X to 03 03 to 03 to to to in LΠ Lπ LΠ LΠ Lπ LΠ LΠ LΠ in LΠ in LΠ Lπ LΠ in in Φ. φ. φ. Φ. Φ. φ- Φ. Φ- Φ. φ. φ. Φ. Φ- Φ- Φ. Φ- φ. φ- Φ- φ. φ- Φ- Φ- φ. to t O to to H H H H H H o o o o o vo vo vo vo VD VD VD VD CO CO CO CO -a -a CΛ

cn σ> CΛ LΠ in in LΠ

CO 00 CO CO 03 03 00 00 00 CO 00 CO 03 03 CO CO CO CO CO CO CO 00 03 00 00 CO CO 03 03 03 CO 03 CO CO CO 00 00 00 VD vo V σ co CO vo 00 03 LΠ cn in en CΛ φ. LΠ cn in CO Φ- Φ- 0J φ- in φ. Φ- LO φ. 00 H DO O CO LO φ- LΠ CΛ -0 -0 00 00 vo VD o o CΛ o o m I-¹ VD 00 φ. DO cn in φ. cπ in oo φ. -J o LO cn en VO φ- CO co en to Φ> CΛ o LO 0J cn φ. CO φ. cn LΠ o to LO O LΠ φ. in CΛ CΛ VD OJ t to -o 00 cn CO CΛ co DO en φ- co oo O oo 00 0J OJ cn en en CΛ to in 00 in cn OJ φ- o 00 O CO cn t φ- VD -0 co vo CΛ o φ. 00 Φ- LO CΛ to m 0J to en VD LO φ. φ- φ- to to o Φ. H -a CΛ oo oo co LΠ LΠ f- en CΛ cn cn cn cn cn cn en CΛ CΛ CΛ CΛ CΛ CΛ cn CΛ cn cn en en cn cn CΛ CΛ cn CΛ CΛ en σi cn cn cn in cn cn CΛ en en to OJ Φ- in CΛ cn -a o vo CO 03 ~4 LΠ en φ- cn m -o cn 03 00 00 cn in Φ- in Φ- to t H¹ o o to I-¹ o to LO 10 OJ LO

CO -a en vo 03 CO DO in H vo -a 00 LΠ -a o --a H co φ. vo H vo vo CΛ o DO CO o in φ- en o φ. vo Φ- H CΛ t D CΛ en CΛ 00 oo CO o Φ. I-¹ VD vo O oo OJ LΠ to LΠ co φ. OJ φ. oo OJ to O cπ LΠ LO CΛ CO Φ- CO φ. in o -J H to vo DO 00 vo o to I-¹ φ. CO ι LΠ VD OJ OJ o cn vo -a H I-^J vo cn 00 o oo o in LO vo vo to o 00 o 00 00 φ- in m in LΠ LΠ LΠ LΠ LΠ LΠ in in LΠ m in LΠ LΠ LΠ in in Φ- Φ. Φ- φ. φ. φ. φ. Jφ. φ. Φ. φ. φ- φ. φ- Φ- φ. φ. φ- φ- φ. Φ- Φ. φ. en CΛ -a cn CΛ Φ. in LΠ Φ- Φ. Φ- CO CO co o o -J VD 03 03 vo VD VD VO CO vo CΛ co co CO ^1 cn en cn in en cn CO to LO H cn LΠ o LO m DO H Φ- vo -j vo H H H to to o VD LO vo H VD o Φ. 00 m LΠ Φ- 00 H H H to vo H in -a -J vo f-¹ o Φ- CO OJ Φ- LΠ H o LO to VD VD VD φ. VD o O to o t 03 o cn cn Φ- Φ> to Φ. H en to φ. Φ- 03 LO t CΛ H 00 cn DO Π 03 to H in in in φ- LΠ O 03 Φ- DO CO φ. VD CO VD LΠ o LΠ cn Φ> 00 DO to -o CΛ OJ Lπ vo l-¹ H H H H H H H H H ι-> H H H M H H¹ H H H I-¹ I-¹ H H H H¹ I-¹ I-¹ ι-> H I-¹ H H¹ H H H H

O o o o o o O o O O O O O o o o o o o O O O O O O o o o o o o o o o o o o o o o o o o o o o o O o o O O o o O o o o o o O O O O O o O o O o o o o o o o o o o o o o o o

I-¹ H H

CΛ CΛ CΛ CΛ cn cn cn CΛ CΛ -J -o LΠ cn CΛ 1 -o CΛ cn o o o o vo VD o VD 00 00 LΠ oo 00 -J -0 -J -J en cn CΛ 1 DO to CO oo to LO DO o o OJ o o CO 00 H H 00 00 CO LO CO 00 CΛ CΛ CΛ en σ. cn in cn CΛ LO CO Lo LO 1 l -o -a h-¹ I-¹ t-¹ H¹ CO CO cn co co to DO O O O o DO DO VD VD vo vo -J en -o CΛ cn cn CΛ to to DO cn CΛ φ. φ. -j φ. -0 Φ- H I-¹ CO H¹ H LO OJ H 0J OJ φ. Φ- φ. φ. o o o o o o Φ- o o 00 CO CO CO

to to ύ 0 03 03 ω ω 03 ω 0 03 ω 03 03 ω -o -o o to to tχ) 03 0 03 03 θ 03 3 ω to ω ω to ω to

03 03 tO t0 03 t tO -0 t0 td t0 tO td t0 tU t0 b3 03 -0 tO t0 03 03 t0 -O -O -O 03 -O t0 td t0 tO 03 03 t 03 td 03

63 -O tO tO -O tO tO t0 tO O3 03 tO 03 03 O3 td 03 O3 03 03 tO -O -O tO -O tO O3 O3 03 03 03 03 03 03 03 03 to 03 tO 03 ω ω ω to to o3 3 ω tα tα to o3 θ3 θ3 ω ω to td tϋ tϋ ω tύ tα ω o3 ω to

O Ω O Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω S3 d O d d Ω Ω Ω S3 d Ω Ω S3 d Ω Ω S3 d O Ω Ω S3 d Ω O S3

00 O oo LO co CO 00 00 00 00 00 LO 00 00 00 LO 00 OJ 00 I-¹ H H H H H M I-¹ H H H (-> I-¹ l-» H H en CΛ cn cn cn en LΠ en cπ Lπ LΠ in LΠ in φ- φ. φ. φ. Φ- Φ> 00 0J 00 LO 0J 00 OJ to CΛ in Φ- o vo 00 -j cn in Φ- H o vo co -0 Φ- o 03 cn m φ. 00 to H O 00 -a c

HI ι-3 HI Hi HI HI HI H Hi Hi H HI cn cn cn n cn i iff Ki j κ| Ki ; K! Ki Ki CO t CO CO CO CO 3 i Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ffi ffi ff X X X F X X X to to X to to X X X X X to t to X to to to to to to to to g g 1 £ i? 1 tr¹ X X X i X a S3 X

03 03 X to ω to to X to X to to to X 03 td 03 03 to 03 03 03 03 03 to 03 03 03 to to 03 X to 03 03 X 03 X o X to t in in in in LΠ LΠ in Lπ in in in in LΠ in in in in LΠ in cn LΠ LΠ LΠ LΠ in LΠ LΠ in in in LΠ in LΠ L_Π LΠ LΠ LΠ m in Π in -J CΛ en Λ CΛ CΛ CΛ CΛ en cn cn CΛ cn LΠ LΠ in LΠ Lπ in Φ- Φ- φ. φ. φ. Φ- Φ. 00 CO OJ O O co co to to to t

H I-¹ H I-¹

H¹ O O O o o o o o o o o o o o o VD VD VD vo vo vo vo VO vo vo vo VD vo VD vo VD 00 vo 00 00 0 O to φ. φ. to DO o o H H¹ o VD 00 00 1 cn LΠ in LO LΠ Φ- 00 t vo I-¹ H o o VD o VD VO 0 H H DO o o in in CΛ in to 00 CΛ φ. in -j o LO H 00 in Φ- 00 LO t -o o VD 00 en LΠ VD 03 en -J cn 00 O DO vo Π CO o H in o π -o to CO CO φ. φ. -J o DO in Φ- o 00 -o in o LO o o 00 03 LO o in CΛ vo o DO in 00 LO LΠ in VO to in in to vo o 00 CΛ m to cn cn 00 to LΠ CO 00 to LΠ to CΛ VD φ. cn cn cn cn CΛ en CΛ cn σ. en CΛ cn cn cn cn σ. cn CΛ cn cn CΛ en cn cn cn cn cn en cn cn en CΛ cn cn CΛ e to 00 LO in vo -J Lπ 00 oo φ- to co in Φ- Φ- Φ. cn φ. LO φ- φ. in Φ- in en en cn cn CΛ -J CΛ to

00 o o DO LO H¹ DO D vo LΠ CΛ O Φ. in 00 CO 00 H¹ LO l-¹ CΛ cn in φ- φ. in O i H VD to Φ- CO o 0J in cn φ- Φ- o -J cn H DO H o vo to cn cn o in to o φ- to -J CΛ 00 c o LΠ vo vo -J in φ- in cn vo VD CΛ φ- o CD LΠ LΠ l σ φ. LO in vo cn LO LO o CO in 00 cn cn cn CΛ cn in Lπ in in m in in in cn cn CΛ en cn cn en cn CΛ in LΠ in in cn cn cn CΛ cn cn cπ LΠ in LΠ L Φ- φ. to DO to -0 CO VD co 00 VD VD H oo CO to o o co vo o o o Φ- LΠ φ. o vo CD oo CΛ i vo H o 00 CΛ to cn to LΠ en LΠ o t Lπ in H 00 o 00 cn LO φ. LΠ o Φ- 00 i

O φ. ^ in cn 00 -j in Φ- OJ cn H o o H Φ- CΛ Φ- LΠ o vo φ. vo --a LΠ o in D CO cn in vo vo LΠ vo in to t -a H CΛ o in cn en Φ- in φ. in H¹ L

I-¹ H¹ I-¹ H H H H H H H H H H H H H H H H H H H H H H H H f-¹ h> I-¹ l-¹ I-¹ H H

O O o o o o o o o o o o o o O o o o o o o o o o O o o o o o o o o o o o O o o o O O o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o in in LΠ in LO co co oo 00 OJ LO in in φ. φ- φ- Φ- in in en CΛ in in CΛ cn vo VO vo VD vo CΛ cn cn CΛ

CO 00 to to Φ. φ. --a - Φ- Φ- CΛ en vo cn LΠ LΠ o O o LΠ LΠ -J ι in in in in --a 1 en c vo o H co o o o o o o o o 00 03 cn oo LO LO •o - to o o o o o DO to -0 - in in 00 CO cn cn en LO LO VD VD cn CΛ vo CΛ CΛ -a cn DO 00 CO 00 00 DO to CΛ CΛ to t

03 -U 03 tO 03 03 t0 W 03 tO 03 03 03 03 03 03 03 -d 03 t0 td tO tU tO tO ta 03 03 03 03 03 03 03 03 03 03 03 M tO tO 03 O3 tO rø tU -0 td tU tO td t 03 03 O3 O3 03 t 03 t 03 03 03 O3 tO tO 03 O3 03 D3 tO O3 O3 03 03 03 D3 tU O3 03 O3 03 03 O3 03 O3 tO 03 tO -O 03 rj3 rj3 rjO td ttJ W O3 O3 M -O tO t tO Id tO t tO -U tO tO tO t0 03 t0 0 03 tO t0 03 - tO t W

0 Ω Ω S3 d Ω d Ω Ω Ω Ω Ω Ω Ω Ω --; d Ω d Ω Ω S3 d Ω Ω Ω Ω Ω S3 0 Ω 0 0 Ω Ω Ω Ω !s! d Ω --i

fc >, fc fc fc fc fc fc >, fc >, fc >, , π ^ fc fc fc fc fc c fc I t-3 >ι-, fc 3 HI > H, >t-, f 3 H HI ι-3 ^ fc

H t-3 ι-3. fc c fc fc

H t-3 t-3 t-3 t-3 H ι-3 Hi t-3 ι-3 t-3 H H t-3 ι-3 H HI H, fc f fc fc fc fc t-3 H ι-3 H I H H H ι-3 H t-3 ι-3 HI d d d d d d d d d d d d O O O o O

2 2 S O Q O d d d d d d d d d d d d d d d d d d d d

2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2

OJ oo oo LO LO OJ OJ LO OJ OJ oo OJ oo 00 LO OJ OJ OJ OJ LO OJ co OJ CO CO oo LO 00 LO LO LO LO LO LO LO LO OJ LO co co OJ L to DO DO DO to to to to DO DO l-¹ H H H H H H H H t-> I-¹ H H H H M H .-> H H H> l-> H H H H¹ H¹ H¹ I- o O O O o O O O O O VD VO VD VO vo VD VD VD VD VO 03 CO 00 00 CO CO CO CO CO 03 -J -J - ^•-J ] -J -J -O -J -J CΛ C

VD CO -J cn in φ- LO DO H¹ o VO 00 -O cn in Φ- 0J DO (-• o ID CO -o en on φ- 00 to H O VO 00 -J CΛ LΠ φ. OJ to i-> O VD C d Ω Ω S3 d Ω Ω Ω O Ω Ω S3 O Ω Ω Ω Ω Ω S3 O Ω Ω Ω SS d Ω

Ω to fc Ω Ω o d Ω Ω S3 d Ω d d Ω Ω Ω S3 d Ω fc Ω 03 fc O X Ω 03 fc H¹ to H ω fc 03 fc Ω Ω to H

Ω Ω Ω Ω H H W H H H H H < < < <J < <! < fc fc fc fc fc H H HI H! Hi t-3 H fc fc fc fc fc fc fc fc HI Hi

X X X X X X F X X X X c fc H

P P f t? 13 tr" 13 ffi ffi ffi ffi ffi ffi ffi cn cn cn cn cn cn cn cn ffi ffi

Ki i CO CO o CO CO CO O to f X fc fc to t to to to t to 13 13 X 13 13 13 13 13 t X t ω 03 to 03 03 03 to to to 03 to 03 X X X to to 03 03 03 03 03 ω 03 to to ω 03 03 03 03 03 03 X 03 to 03 to to to X t cn CΛ CΛ CΛ CΛ CΛ en cn CΛ en CΛ cn cn cn en CΛ CΛ CΛ CΛ en CΛ CΛ cn cn in in in m in in cπ in LΠ LΠ in LΠ LΠ LΠ in in in oo oo LO OJ to to to DO DO DO to to H ι-> I-¹ H H H¹ o o o o o VD VD vo VD VD VD VD CO CO CO CO CO 00 03 03 -a -j -

t-¹ I-¹ M l-> I-¹ I-¹ H¹ H H H¹ H H H H H

H l-¹ (-> H H H H o o o o O O O o o o o o o o o O

DO DO 00 to Φ- co o o DO DO DO Φ- CO to oo co to to o l-¹ to vo in -J 03 03 oo 00 CΛ cn cπ o

H 00 O 00 o OJ o vo 0J in o o to o DO H to H O ~ VD o --a H¹ oo oo Φ- o 03 φ- H in Φ. φ. cn ~ in -J DO 03 00 cn LO DO Π o o cn m cn DO vo φ. m Φ- 00 vo cn H H -a on 0J VD φ- φ- LO 00 -o

CD -j LΠ LΠ CΛ cn Φ- LO CΛ to o Φ- H VD cn φ. LO in H O in LΠ to t in φ- cn DO cn φ- Φ. v

CΛ cn en cn CΛ en cn CΛ CΛ cn en en cn cn CΛ cn cn CΛ CΛ en en cn cn cn cn cn cn cn cn in cn cn cn cn CΛ cn c CO co cn cn Φ- in to 00 to in Π en CO co CΛ in in Φ- in m CΛ in cn cn LΠ φ. vo o o t t LO t 1 cn DO 00 O LO in 00 -4 in o Φ- LΠ vo LO in DO DO en φ. DO m to Φ- DO H¹ φ. Φ. in c VD LΠ cn Φ- CΛ o φ. D 03 OJ CO m OJ 00 cn in o Φ. 03 -o CΛ H O LO en φ. H cπ φ. VD to vo LO o to t 00 H LO 00 in o cn en LΠ -J DO DO cn 00 H CΛ 03 03 O CO en in in 00 φ. cn to in in 00 o DO to e φ. Φ- Φ- φ> φ. in in in LΠ in LΠ in in in in in in LΠ in in m LΠ in in en in in cn in in cn in cn cn cn σ. en cn cn c 00 03 03 VD VO o o o 00 I-¹ t Φ- LO Φ- to φ. Φ. m in -a co o VD 03 o vo vo o vo o Φ- t t to o L

03 H LO OJ H vo vo o in LΠ LO o in H¹ -0 LO 00 en O o to cn cn co VD 03 vo cn to to oo vo VD to φ- DO 00 0J φ. o VD oo VD cn CO 00 H VD Φ- φ. φ- --a to cn co o LO to O en I-¹ o LΠ 0. -a 00 VO en O J cn H DO vo H -j t DO Φ- H in VD LO to -o o o LΠ φ. 00 cn LΠ Φ- o co 00 o vo v

H H .-> I-¹ H H l-¹ t-¹ H H I-¹ H H F> H l-> t-¹ H H I-¹ ι-> H t-¹ f-> I-¹ H

O O O o O o o o o o o o o o O O o o o o o o O o o o O o O O o o o o o o o o O O O o O o o o o o o o o o O o o o o o o o o O o o o o o O o o o o o o o o o o o in in Ln in cn cn Φ- Φ- φ. cn en LΠ LΠ LO oo 00 m cn cn cn φ. φ- φ- Φ. φ- φ- cn 1 i

CO 03 03 03 o > o o φ. Φ- CO co 00 φ. φ. Φ- Φ- φ. φ. φ- Φ- φ. φ- cn cn co oo co 03 cn cn DO 0 in m in in CΛ cn Φ- φ. en en φ. Φ. l-¹ Φ- o o o o o o oo 00 o O o o o o o o o o v oo 03 CO CO ι-> Lπ in LΠ l-¹ cn cn VD vo cn en Φ- φ. Φ- φ. cn cn CΛ φ. φ- Φ- Φ. Φ- φ- φ- φ. Φ- LO L

ω 03 03 03 03 to tα ω to tύ ω 03 03 03 03 θ3 03 03 03 to to ω to 03 to ω ω 03 03 ω tU tO 03 03 03 03 03 03 03 03 03 03 03 03 tO tO 03 ω ω 03 tO t tO t tα tO 03 03 03 03 03 03 03 03 O3 03 03 ω

03 03 03 03 03 03 t0 03 tO t -O CO tO tσ tO t0 03 03 03 03 tO t0 03 03 03 03 -0 03 03 03 tθ ω

-O ω ω t0 t0 t0 tύ t0 03 03 03 03 03 03 03 tύ 03 03 03 03 03 tfl t0 t0 tα t ω

Ω Ω Ω ≥i d Ω Ω Ω Ω Ω Ω --1 d Ω Ω Ω Ω O S3 d Ω Ω Ω S3 Ω Ω O d Ω Ω S3 d Ω d d Ω Ω Ω S3 0 Ω Ω

OJ 00 00 Lo LO 00 00 LO LO Lo Lo 00 LO 0J Lo Lo co 00 00 LO 0 to to to to to to DO to to to to to t to to DO to DO DO DO DO DO DO DO to CO to to DO D LΠ m Φ- φ> Φ- Φ- 00 OJ oo LO to to to to DO DO to DO H H H H H (-^■ H o CO cn LΠ oo to o vo CΛ in φ- LO o vo 00 CΛ in Φ- to VD 00 -J cn in Φ. LO to

Ω Ω Ω Ω Ω Ω to 9 S3 d Ω Ω 03 9 S3 d Ω Ω Ω Ω Ω O to CO ϋ Ω 03 to a S3 d H¹ α O Ω 9 S3 d Ω Ω S3 d O to 9 9 S3 d Ω d O Ω

X Ω to

DO 9 S

03 to X to 03 to X 03 to X 03 03 03 03 03 03 to t 03 03 to to 03 to to to X to to to to ω to to 03 to to to to to to 0

-a cn cn cn cn en σi σ. cn cn CΛ CΛ cn CΛ CΛ en cn cn cn en 01 σ. σ. cn en en o o o vo vo vo vo oo 00 00 -o en LΠ Lπ in in Φ- Φ- *- Φ. Φ.

H H H I-¹ H H H H H H H H H H H H H t-¹

I-> o o o o o H I-¹ o o o o o o o O o O O O O o O O o M (-^■ H (-^■ f-" (- o 03 CO D O o VD CO O VD oo oo en 1 1 00 CΛ 00 en 00 VD O O DO 00 LO in Φ- φ. ω

LO O in oo Φ- en φ. in in -J φ. to to cn CO 03 VO 00 00 03 1 H φ. to Φ- VD CO cn cn CΛ φ. CΛ CΛ CΛ Φ. Φ D H 03 03 CΛ to LΠ in in 03 o φ. t VD CO O H φ. VD φ- CΛ to en LO cn VD I-¹ Lπ in en 00 •o o DO φ- -J m Φ- -j Φ- OJ CO H¹ LO Φ- o en 03 CO VD LO σi φ. LO to 00 Φ. 03 in cn en H Φ- to LO L en en en cn cn ^j -J 1 -j 1 1 1 •o 1 ^a CΛ 1 c en -j co vo vo OJ H H DO co CO in Φ- o H¹ I-¹ to DO Φ- in in LO φ- π m Φ- 00 0J to I-" VO o o o O 0

CO cn VD co H H¹ o 03 LO to to to H¹ VD Φ- oo DO oo 00 00 D cn LΠ 00 03 cn 00 vo o 1 f-¹ c o in LO to o in φ. -0 VD OJ vo vo H Φ- VD cn in M VD Lπ 00 in VD in o (-^■ oo 00 00 Φ- v

DO O m O o O 10 CΛ VD en in o Φ> en in 00 in 00 VD Φ- oo o ω vo I-¹ vo -0 o to ^■ to o c φ. φ. φ. Φ- LΠ in Φ- Φ- Φ- Φ- Φ- Φ- Φ- Φ- Φ- φ- φ. φ. φ. Φ- Φ- Φ- Φ. Φ. φ- Φ- φ. φ. φ. φ. Φ.

00 VD VD VO O 00 -O cn en in Φ- φ. DO oo H O to to t to o to to Φ. LO in Φ- in vo vo oo CΛ

CΛ φ. CO H I-¹ 03 CO VD CΛ 00 I-¹ Φ- in VD DO Lo 1 Φ- to CΛ to en •o CD to Φ- LO LO 00 in on cn to O CΛ in VD vo oo H vo DO DO I-¹ 03 00 Lπ LO DO Φ- o cn 00 O L LΠ cn to 03 DO φ. 00 oo o in φ. vo 00 in φ. in H H cn 1 00 03 to to o o CΛ -o LΠ 00 to -0 Φ-

H H H H H H H H H H (-> (-¹ (-¹ l-¹ H H I-¹ H H M H H t-> H H H H I-¹ H I-¹ H ι-> -¹ o o o o o O o o o O o o o O o O O O O O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o o O O O O O o o o o o o o o o o o o o o o O

LO LΠ LΠ LΠ LΠ cn cn vo vo VO VO VO VD VD -O VD VD o VD en en -o 1 en c H en cn LO LO cn cn LO en en 1 H H H l-> to to t t in Lπ -o 1 in L

00 03 oo 00 Φ- Φ- Φ- 00 00 -o 03 03 CΛ CΛ CΛ CΛ σ. en cn 03 03 LO LO 00 o o o o o o o o o O O oo VD vo OJ Φ- Φ- LO OJ o o o 1 l H¹ H H H 1 00 00 CO o o o o 0J CO CO LO CO 0

ω ω ω ω 03 03 θ3 θ3 ω to 03 03 03 ω ω 03 0 0 ϋ ϋ3 03 03 03 03 ω ω ω ω tU tύ tO O3 03 tU -O -O t0 03 03 03 O3 O3 O3 O3 O3 O3 O3 03 O3 O3 03 O3 tU 03 03 3 03 t ffi M 03 t W tO tO 03 O3 O3 O3 O3 O3 -O -O -O O3 O3 -O -O -O -O -O t0 -O tO tO 03 03 D3 O3 O3 03 tO W

03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 -O t0 03 03 03 tU -0 -O I-3 t tO tD W

Ω Ω S! d Ω Ω Ω Ω Ω S3 d Ω Ω S3 d Ω Ω Ω Ω Ω Ω Ω Ω Ω ≥i d Ω Ω O S3 d O Ω S3 d Ω S3 d O Ω Ω --i

ATOM 3252 CGI VAL B 70 108.040 65.,115 48,,975 1.,00 31.,83 BBBB C

ATOM 3253 CG2 VAL B 70 108. 728 66 . 745 47. 215 1. 00 31. 83 BBBB C

ATOM 3254 C VAL B 70 108. 962 67. ,059 51. ,030 1. ,00 46. ,89 BBBB C

ATOM 3255 O VAL B 70 110. 107 67. 224 51. ,461 1. ,00 46. ,89 BBBB O

ATOM 3256 N TYR B 71 107. 984 66. 542 51. ,756 1. ,00 45. ,60 BBBB N

ATOM 3257 CA TYR B 71 108. ,207 66. ,098 53, ,126 1. ,00 45. .60 BBBB C

ATOM 3258 CB TYR B 71 107. ,412 66. ,934 54, ,130 1. ,00 51. ,47 BBBB C

ATOM 3259 CG TYR B 71 107. 758 68. ,388 54. ,147 1. ,00 51. ,47 BBBB C

ATOM 3260 CD1 TYR B 71 107. ,269 69. ,250 53. ,173 1. ,00 51. ,47 BBBB C

ATOM 3261 CEl TYR B 71 107. ,589 70. ,602 53. ,184 1. ,00 51. ,47 BBBB C

ATOM 3262 CD2 TYR B 71 108, .580 68, .907 55. ,132 1. .00 51. ,47 BBBB C

ATOM 3263 CE2 TYR B 71 108, ,909 70. .252 55. .150 1, .00 51. ,47 BBBB C

ATOM 3264 CZ TYR B 71 108, ,409 71. ,093 54. .175 1, .00 51. ,47 BBBB C

ATOM 3265 OH TYR B 71 108. ,728 72. ,428 54. .205 1. .00 51. ,47 BBBB O

ATOM 3266 C TYR B 71 107. 751 64. ,676 53. ,291 1. ,00 45. ,60 BBBB C

ATOM 3267 O TYR B 71 107, ,110 64. ,100 52, ,413 1, .00 45. ,60 BBBB O

ATOM 3268 N GLN B 72 108, ,086 64, ,120 54. ,440 1. ,00 37. .17 BBBB N

ATOM 3269 CA GLN B 72 107, ,674 62, ,780 54. ,789 1. ,00 37. .17 BBBB C

ATOM 3270 CB GLN B 72 108. ,856 61, .809 54. .785 1. .00 77, .14 BBBB C

ATOM 3271 CG GLN B 72 108. ,428 60. ,369 55, .049 1. .00 77, .14 BBBB C

ATOM 3272 CD GLN B 72 109. .564 59, .487 55, .525 1. .00 77, .14 BBBB C

ATOM 3273 OEl GLN B 72 109, .381 58 .290 55, .770 1, .00 77 .14 BBBB O

ATOM 3274 NE2 GLN B 72 110. .746 60, .072 55, .663 1. .00 77. .14 BBBB N

ATOM 3275 C GLN B 72 107. ,150 62, .939 56. .201 1. .00 37. .17 BBBB C

ATOM 3276 O GLN B 72 107, .686 63, .733 56. .979 1, .00 37, .17 BBBB O

ATOM 3277 N ALA B 73 106, .097 62 .207 56, .531 1, .00 31 .16 BBBB N

ATOM 3278 CA ALA B 73 105, .520 62 .280 57, .868 1, .00 31, .16 BBBB C

ATOM 3279 CB ALA B 73 104, .572 63 .474 57, .967 1, .00 33 .35 BBBB C

ATOM 3280 C ALA B 73 104 .765 60 .995 58 .127 1 .00 31 .16 BBBB C

ATOM 3281 O ALA B 73 104 .669 60 .139 57 .245 1 .00 31 .16 BBBB O

ATOM 3282 N LYS B 74 104, .244 60 .846 59, .339 1, .00 62 .42 BBBB N

ATOM 3283 CA LYS B 74 103 .485 59 .649 59 .641 1 .00 62 .42 BBBB C

ATOM 3284 CB LYS B 74 104 .287 58 .683 60 .541 1 .00 81 .71 BBBB C

ATOM 3285 CG LYS B 74 104 .579 59 .137 61 .963 1 .00 81 .71 BBBB C

ATOM 3286 CD LYS B 74 105 .549 58 .148 62 .616 1 .00 81 .71 BBBB C

ATOM 3287 CE LYS B 74 105 .120 57 .720 64 .019 1 .00 81 .71 BBBB C

ATOM 3288 NZ LYS B 74 106 .194 56 .918 64 .685 1 .00 81 .71 BBBB N

ATOM 3289 C LYS B 74 102 .127 59 .951 60 .240 1 .00 62 .42 BBBB C

ATOM 3290 O LYS B 74 102 .010 60 .552 61 .318 1 .00 62 .42 BBBB O

ATOM 3291 N LEU B 75 101 .104 59 .523 59 .507 1 .00 69 .67 BBBB N

ATOM 3292 CA LEU B 75 99 .718 59 .702 59 .908 1 .00 69 .67 BBBB C

ATOM 3293 CB LEU B 75 98 .797 59 .149 58 .820 1 .00 46 .12 BBBB C

OJ OJ co CO co CO oo LO oo LO 00 OJ co oo LO 10 OJ LO CO 00 oo OJ oo OJ LO OJ OJ OJ oo 00 co CO co co oo CO oo OJ J LO OJ ι

OJ OJ 00 oo LO LO LO OO OJ LO OJ oo OJ oo OJ LO OJ LO OJ 00 00 LO 00 00 LO 00 LO OJ oo OJ oo LO co OJ OJ LO to to to to to t

OJ OJ LO OJ LO OJ to to to to DO DO DO CO DO O ι-> H H H H H (-¹ l-> o o o o o o o o o o vo VD VD O vo v in φ- J to H O VD 00 -J CΛ in φ. OJ to H o vo 00 1 CΛ LΠ Φ- LO DO H o VD CO -0 en on φ. 00 DO (-> o VD 03 -J CΛ LΠ Φ

X X tr" X Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω fc fc fc fc fc fc fc fc Ω Ω Ω X X X X CO CO to t to X X X X X X X X X X X X cn cn cn cn to cn Co κ| j CO CO X to t α Ci ci ci G X α X X X X X X fc I fc fc Ϊ cn cn cn cn cn CO i C X to to 03 03 to to X to to to X to X to to to 03 to to X 03 to X to to to to X 03 to to to 03 03 to 03 to to 03 to to t

03 CO CO CO CO CO CO CO CO CO CO CO CO CO ^■o -0 l -J -J -0 -0 -o -a -j -J ! -j -a -a -j ] -j ~J -J -j - -J -0 -J -0. -j

H H M H H o o o o o o o o o vo o o VD CO 00 CO CO 00 -j -J ^■J -j -j -j -j -0 cn cn cn cn CΛ cn LΠ LΠ LΠ m i

H I-¹ l-¹ H H o o o o o VD vo vo D vo o o o o o VD VD VD VD vo vo vo vo vo vo vo vo vo VD vo vo VD vo vo

O - m 00 vo vo o o H o -J in cn in m LΠ LO Φ- LΠ cn o 00 00 vo VD vo VD

LΠ H --a 0J CΛ 00 en o -a o CΛ in o -J L0 DO 00 LO en o 00 cn in o in CΛ cn vo Φ. vo vo cn o CΛ o in -J oo DO H o H o CO oo 03 -a o LO c

_^a 00 vo Φ- cn LΠ to LΠ φ. VD to vo 00 o 03 o vo to vo to 00

LΠ in in in LΠ in cπ LΠ in LΠ m m in in in in LΠ en cn LΠ in LΠ CΛ c LΠ cn CΛ LΠ CΛ Φ. to Φ- φ. Φ. φ. φ. φ. Φ- φ. φ. cn 03 co co o D VD o

03 to Π vo CO 00 -0 00 03 -o co -a CO cn 00 -a o to -a

LΠ LΠ LΠ 03 VD oo 00 DO m cn oo vo CΛ cn 00 vo DO CΛ vo 03 o C o Φ. in cn 00 σ o -J H cn VD 03 00 LΠ Φ- o cn cn 00 --a 00 Φ- vo -J in CO 00 -a in in LΠ LΠ m in LΠ in en cn Λ LΠ CΛ CΛ en cn cn cn cn cn CΛ cn cn cn CΛ in in cn LΠ cn in cn CΛ 03 o o o o I-¹ o o oo OJ 00 H CΛ --a cn o 03 to CO Φ- LO m 03 o o in Φ- cn cn oo -o en in to vo CΛ LΠ LΠ cn VO M LΠ o 00 o H cn -J Φ- en Φ- vo LΠ φ. o

03 LO o vo H H VD DO Φ- o o t 00 t o H H o cn o o 00 LΠ vo H

H ι-> F¹ w I-¹ ι-> -¹ l-> t-¹ H H M H H H H H H I-¹ H H H H H l-¹ H H H H H H H H H H H o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o O o cn cn cn cn cn CΛ cn en -a -a 1 03 03 cn 03 00 VD VD o vo vo vo cn ~0 cn cn Φ- to en cn Φ- Φ. Φ- φ- φ. cn o o o o VD VD VD vo o o o H H o vo φ- φ- vo en

Φ. φ. 03 00 00 03 o o o o DO DO o to CΛ cn en cn cn en en en en in in en cn ι-» o vo in o o Lπ in in in o o φ- φ. vo VD VD vo l Φ. Φ. φ. H 00 oo H H -0 -a to O

03 tO W tO tO tO tO tO t -O 03 O3 tO tO 03 03 tO O3 O3 03 O3 O3 03 03 03 03 t tfl O3 03 03

tO tO D3 03 tO tO tti tO 03 03 03 tU 03 03 03 03 03 03 t0 03 t0 03 03 03 03 03 03 ro 03 03 td 03 03 W 3 03 t0 ffi tϋ td 03 03 l33 lll 03 03 03 tα tύ t0 -0 03 03 03 03 -d t0 -0 tύ tύ tθ ro w O3 03 l-3 ffi tO M tO tU 03 O3 O3 03 O3 03 O3 O3 O3 O3 03 O3 03 03 O3 O3 O3 O3 O3 tα tO tO O3 O3

Ω Ω Ω Ω --! d Ω d d Ω Ω Ω Ω i2i d Ω O --i d Ω Ω Ω S3 d O d d Ω Ω Ω fe3 d Ω C0 Ω Ω S3 d O Ω Ω Ω

ATOM 3336 CD2 LEU B 81 106.,287 57.,282 57..795 1..00 62,,29 BBBB C

ATOM 3337 C LEU B 81 103. 215 57, ,616 55. .063 1. ,00 62, ,45 BBBB C

ATOM 3338 O LEU B 81 102, ,507 57. .053 54, .229 1. ,00 62. ,45 BBBB 0

ATOM 3339 N VAL B 82 103. ,573 58, .889 54, ,986 1. ,00 49, ,35 BBBB N

ATOM 3340 CA VAL B 82 103. ,056 59, .730 53, .945 1. .00 49. .35 BBBB C

ATOM 3341 CB VAL B 82 101. ,863 60. .525 54. ,525 1. ,00 51. ,70 BBBB C

ATOM 3342 CGI VAL B 82 102. .226 62, .007 54, .681 1. .00 51. .70 BBBB c

ATOM 3343 CG2 VAL B 82 100. ,636 60, .287 53. .668 1. ,00 51. ,70 BBBB c

ATOM 3344 C VAL B 82 104. ,128 60. .653 53. .415 1. ,00 49. .35 BBBB c

ATOM 3345 O VAL B 82 105, ,123 60. .922 54. .090 1. ,00 49, .35 BBBB 0

ATOM 3346 N ALA B 83 103. ,915 61. .113 52. .190 1, ,00 40. ,94 BBBB N

ATOM 3347 CA ALA B 83 104. ,817 62. .042 51. .520 1. ,00 40. .94 BBBB C

ATOM 3348 CB ALA B 83 105. .253 61, .479 50, .158 1, .00 55, .64 BBBB C

ATOM 3349 C ALA B 83 103. .914 63. .246 51. .330 1. .00 40. ,94 BBBB C

ATOM 3350 O ALA B 83 102. .836 63. .128 50. .756 1. ,00 40. .94 BBBB O

ATOM 3351 N ILE B 84 104, .328 64. .388 51. .852 1. ,00 41. .59 BBBB N

ATOM 3352 CA ILE B 84 103, ,515 65. .570 51. .722 1. ,00 41. ,59 BBBB C

ATOM 3353 CB ILE B 84 103. .195 66, .189 53, .102 1. .00 43, .32 BBBB C

ATOM 3354 CG2 ILE B 84 102. .411 67, .466 52, .926 1. .00 43, .32 BBBB C

ATOM 3355 CGI ILE B 84 102, .373 65, .202 53, .936 1. .00 43, ,32 BBBB C

ATOM 3356 CD1 ILE B 84 101. .950 65. .745 55. .301 1. .00 43, .32 BBBB C

ATOM 3357 C ILE B 84 104, .243 66, .556 50, .847 1, .00 41, .59 BBBB C

ATOM 3358 O ILE B 84 105. .394 66. .905 51, .104 1, .00 41, .59 BBBB O

ATOM 3359 N LYS B 85 103, .573 66, .978 49, .784 1, .00 38, .68 BBBB N

ATOM 3360 CA LYS B 85 104, .167 67, .914 48. .851 1. .00 38. .68 BBBB C

ATOM 3361 CB LYS B 85 104, .019 67. .358 47, .433 1, .00 46, .10 BBBB C

ATOM 3362 CG LYS B 85 104 .515 68, .307 46, .375 1, .00 46, .10 BBBB C

ATOM 3363 CD LYS B 85 104 .499 67 .689 45. .004 1, ,00 46, .10 BBBB c

ATOM 3364 CE LYS B 85 104, .943 68, .722 43, .983 1, .00 46, .10 BBBB c

ATOM 3365 NZ LYS B 85 105, .097 68, .146 42, .626 1, .00 46, .10 BBBB N

ATOM 3366 C LYS B 85 103 .509 69 .296 49 .000 1. .00 38 .68 BBBB C

ATOM 3367 O LYS B 85 102 .284 69 .430 48 .921 1 .00 38 .68 BBBB O

ATOM 3368 N LYS B 86 104 .341 70 .314 49 .208 1, .00 38, .94 BBBB N

ATOM 3369 CA LYS B 86 103 .871 71 .674 49 .437 1, .00 38 .94 BBBB C

ATOM 3370 CB LYS B 86 104 .484 72 .184 50 .745 1 .00 47 .39 BBBB C

ATOM 3371 CG LYS B 86 103 .977 73 .520 51 .232 1. .00 47 .39 BBBB C

ATOM 3372 CD LYS B 86 104 .678 73 .911 52 .529 1 .00 47 .39 BBBB C

ATOM 3373 CE LYS B 86 104 .071 75 .174 53 .150 1 .00 47 .39 BBBB C

ATOM 3374 NZ LYS B 86 104 .709 75 .593 54 .438 1 .00 47 .39 BBBB N

ATOM 3375 C LYS B 86 104 .218 72 .607 48 .287 1. .00 38 .94 BBBB C

ATOM 3376 O LYS B 86 105 .385 72 .748 47 .920 1 .00 38 .94 BBBB O

ATOM 3377 N VAL B 87 103 .211 73 .260 47 .721 1 .00 46 .48 BBBB N ATOM 3378 CA VAL B 87 103.,445 74.,151 46.,582 1.00 46.,48 BBBB C

ATOM 3379 CB VAL B 87 102, ,847 73. ,560 45. ,279 1. 00 39. ,80 BBBB C

ATOM 3380 CGI VAL B 87 103, .353 74. ,335 44. ,087 1. 00 39, ,80 BBBB C

ATOM 3381 CG2 VAL B 87 103, .188 72. ,099 45. ,162 1. ,00 39, ,80 BBBB C

ATOM 3382 C VAL B 87 102. .884 75. ,565 46. ,724 1. 00 46. ,48 BBBB C

ATOM 3383 O VAL B 87 101, .796 75. ,766 47. ,262 1. ,00 46, ,48 BBBB O

ATOM 3384 N LEU B 88 103, .635 76. ,541 46, ,225 1. ,00 40, ,52 BBBB N

ATOM 3385 CA LEU B 88 103, .199 77. ,924 46, .265 1. ,00 40. ,52 BBBB C

ATOM 3386 CB LEU B 88 104, .377 78. .862 46. .009 1, .00 61, .79 BBBB C

ATOM 3387 CG LEU B 88 104, ,132 80. .311 46. .433 1. ,00 61. .79 BBBB C

ATOM 3388 CD1 LEU B 88 103, .913 80, .352 47, .947 1, ,00 61, .79 BBBB C

ATOM 3389 CD2 LEU B 88 105, .305 81. .181 46. ,026 1. ,00 61. .79 BBBB C

ATOM 3390 C LEU B 88 102. .177 78. .042 45. ,142 1. ,00 40. .52 BBBB C

ATOM 3391 O LEU B 88 102, .374 77. .511 44. .055 1, ,00 40, .52 BBBB 0

ATOM 3392 N GLN B 89 101. .086 78. .745 45. ,388 1. 00 56. ,61 BBBB N

ATOM 3393 CA GLN B 89 100, .065 78. .844 44, .371 1, .00 56, .61 BBBB C

ATOM 3394 CB GLN B 89 99, .093 77. .672 44, .527 1, ,00 48, .68 BBBB C

ATOM 3395 CG GLN B 89 97, .869 77, .705 43. .624 1, ,00 48. .68 BBBB C

ATOM 3396 CD GLN B 89 98, .187 77. .373 42. .178 1. ,00 48, .68 BBBB C

ATOM 3397 OEl GLN B 89 98, .889 76, .401 41. .891 1. ,00 48. .68 BBBB O

ATOM 3398 NE2 GLN B 89 97, .660 78, .168 41. .259 1. .00 48. .68 BBBB N

ATOM 3399 C GLN B 89 99, ,291 80, .139 44. .399 1. .00 56, .61 BBBB C

ATOM 3400 O GLN B 89 98. .888 80, .624 45, .457 1. .00 56, .61 BBBB O

ATOM 3401 N ASP B 90 99, .090 80, .699 43, ,215 1. .00 45, .03 BBBB N

ATOM 3402 CA ASP B 90 98, .309 81. .908 43, .079 1. ,00 45, ,03 BBBB C

ATOM 3403 CB ASP B 90 98, .514 82, .513 41, .697 1, ,00 57, .09 BBBB C

ATOM 3404 CG ASP B 90 97 .789 83 .821 41 .535 1, .00 57 .09 BBBB C

ATOM 3405 ODl ASP B 90 98, .386 84, .739 40, .937 1. .00 57, .09 BBBB 0

ATOM 3406 OD2 ASP B 90 96 .633 83 .928 42 .005 1, .00 57 .09 BBBB 0

ATOM 3407 C ASP B 90 96 .861 81. .462 43 .242 1, .00 45 .03 BBBB c

ATOM 3408 O ASP B 90 96 .416 80 .532 42 .567 1, .00 45 .03 BBBB 0

ATOM 3409 N ALA B 91 96 .138 82 .132 44 .133 1, .00 53 .65 BBBB N

ATOM 3410 CA ALA B 91 94, .745 81, .796 44, .409 1. .00 53, .65 BBBB c

ATOM 3411 CB ALA B 91 94 .281 82 .528 45 .664 1, .00 42 .67 BBBB C

ATOM 3412 C ALA B 91 93 .806 82 .097 43 .250 1, .00 53 .65 BBBB C

ATOM 3413 O ALA B 91 92 .685 81 .597 43 .218 1, .00 53 .65 BBBB O

ATOM 3414 N ALA B 92 94 .270 82 .907 42 .303 1 .00 59 .91 BBBB N

ATOM 3415 CA ALA B 92 93 .470 83 .295 41 .143 1, .00 59 .91 BBBB C

ATOM 3416 CB ALA B 92 94 .041 84 .564 40 .505 1 .00 48 .87 BBBB C

ATOM 3417 C ALA B 92 93 .384 82 .193 40 .101 1 .00 59 .91 BBBB C

ATOM 3418 O ALA B 92 92 .500 82 .210 39 .237 1 .00 59 .91 BBBB 0

ATOM 3419 N PHE B 93 94 .311 81 .245 40 .165 1 .00 50 .12 BBBB N fc fc fc fc fc fc fc fc fc fc fc fc f fc fc c fc fc fc fc fc fc c

H H H H H H H H > H, H, c

H H H > H, H, f fc

H^ c f

H H H H H H H H H > H, fc f fc fc fc fc fc fc fc fc fc

H H H H H H H H H H H H H H H

O o O O Ω Ω O o Ω O Ω o O O O O O O O O O O O O O O O O O O Cl C C O O C C O

2 2 2 2 3 3 3 2 2 2 3 3 2 2 2 2 2 2 3 2 3 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 oo oo oo co to oo φ. φ. φ. φ. φ. φ. Φ- φ. φ. φ. φ. φ. Φ. φ. φ. φ. Φ- φ. φ. φ. φ. Φ. φ. Φ- φ. φ. Φ- en in in in LΠ LΠ in in LΠ in in Φ- φ. φ. φ. φ. φ. to to t o vo cn in Φ- t-> o vo --a cn in φ- t H o l in φ. oo en LΠ Φ- to

Ω Ω Ω ! o o g S3 Ω S3 Ω Ω Ω Ω Si O Ω g o Ω Ω

03 n S3 o n X n Ω o n p X O Ω o Ω Ω Ω Ω Ω Ω

Ω 03 fc ffi N to α W to fc α fc tsa CO α Ω 03 fc N CO α α Ω to H

Ω Ω Ω f fc fc fc fc fc fc X X X X X X X X X 13 13 13 1 X X X £ % % g g s 5 fc c 13 13 13 13 13 cn cn cn cn cn cn cn Ki κ| κ| Ki Ki Ki Ki Ki ffi ffi ffi ffi ffi ffi ffi ffi ffi

X X X C C- ω Ω Ω Ω 0- 01 ω ω S3 S3 S3 ≥i X S3 S3 X to co in ω to LO ω ω CO CO to O CO CO CO CO t C

X X to to to 03 03 03 03 tO 03 03 to to to 03 to to to to to 03 03 03 to to to 03 03 to 03 03 to to 03 03 03 03 03 03 03 0 vn vo o vo vo vo o vo vo vo vo vo vo vo vo

-o -o cn en cn cn cn cn en en en in in cn LΠ Lπ Lπ LΠ LΠ φ. φ. φ- φ. Φ. φ- φ- Φ-

H H

H o vo vo vo O vo vo vo vo vo VO o vo VD VD vo o vo --a in en vo O cn cn m in in vo o en in cn in cn in 00 to oo o o o o oo oo o o o σ. -a o CO -o o in en to φ. en I-¹ to φ. to H -a to in o Φ- vo vo in -a in φ. φ. cn O in o φ- in en o o o to Φ- o vo o cn o o cn cn en -J -o -~a •o l -a -O -o -o vo oo o φ. to I-¹ I-¹ to oo Φ. Φ- in in cn Lπ LΠ --a φ- oo H to o vo H O -o --a en o co oo o φ. cn oo o oo φ.

-o -a en o φ- in φ. Φ. cn -J Lπ φ. o cn -J o φ on vo to en oo LΠ vo o o φ- o H o oo φ. oo oo LO LO Φ- Φ- φ. Φ- oo o co φ. in --a vo H H H o o vo in en oo oo

H in en ^a in φ- in en in LΠ Φ- in vo in vo -a cn o co in to on DO co o to H in φ. φ. Lπ to o cn cn o o vo en cn VD o H¹ -a LΠ Φ- CO -j φ. vo H in l-> H H H¹ H H ι-> H !-> t-¹ H t-> H¹ I-¹ l- o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o

Φ- Φ- LO 00 cn cn cn LΠ LΠ in in in in in in

LΠ in in φ. φ. φ- φ. Φ- φ. φ. in in en cn cn o o o o o o cn cn CΛ cn cn cn CΛ to en cn φ. φ. φ- φ. Φ- φ- φ. cn vo o in in LΠ in H to t to to to co O o in in in o o to to to to to o o o o o o o

03 03 03 03 03 03 03 o 03 to 03 to to to to 03 03 03 03 03 03 to 03 03 03 to to to to 03 to 03 to to 03 to to 03 03 03 to to 03 03 03 03 03 03 03 03 to 03 03 to to to to 03 to 03 to 03 03 to to 03 03 03 to 03 03 03 03 03 to 03 to to to 03 03 03 to 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 to 03 03 03 03 to 03 03 03 03 03 03 03 03 to t 03 03 03 to 03 to to to 03 03 03 03 03 03 03 to 03 03 03 03 to 03 03 03 03 03 to 03 03 03 03 to 03 03 03 03 03 03 03 03 03 to 03 03 03 03 03

Ω Ω Ω S3 d Ω S3 S3 θ S3 Ω Ω Ω Ω fe3 d O S3 d O Ω Ω SS d Ω S3 Ω Ω Ω Ω Ω --i d Ω Ω Ω Ω Ω Ω Ω Ω Ω

ATOM 3462 CD GLU B 97 101.810 68.100 41..515 1.00 47.18 BBBB C

ATOM 3463 OEl GLU B 97 102. ,424 67. ,143 42. .042 1, ,00 47. ,18 BBBB O

ATOM 3464 OE2 GLU B 97 102. ,338 69. .223 41. .303 1, ,00 47. ,18 BBBB O

ATOM 3465 C GLU B 97 97, ,322 68. ,423 40, .387 1, ,00 35. ,28 BBBB C

ATOM 3466 O GLU B 97 96. ,881 67. ,286 40. ,168 1. ,00 35. ,28 BBBB O

ATOM 3467 N LEU B 98 96 . ,767 69. ,269 41. ,254 1. ,00 36. ,41 BBBB N

ATOM 3468 CA LEU B 98 95 . ,576 68. ,923 42, ,020 1. ,00 36. ,41 BBBB C

ATOM 3469 CB LEU B 98 95. ,183 70. .084 42. ,937 1. ,00 36. .15 BBBB C

ATOM 3470 CG LEU B 98 93. ,940 69. .880 43. ,807 1, ,00 36. ,15 BBBB C

ATOM 3471 CD1 LEU B 98 94. .240 68, .820 44. .839 1, ,00 36. ,15 BBBB C

ATOM 3472 CD2 LEU B 98 93. .547 71. .180 44, .477 1, .00 36. .15 BBBB C

ATOM 3473 C LEU B 98 94. ,384 68, .577 41, ,119 1. ,00 36, ,41 BBBB C

ATOM 3474 O LEU B 98 93, ,725 67, ,539 41. ,301 1, ,00 36. ,41 BBBB O

ATOM 3475 N GLN B 99 94. ,100 69, .439 40, .149 1. .00 43. .47 BBBB N

ATOM 3476 CA GLN B 99 92. .961 69. .193 39. .270 1. .00 43, .47 BBBB C

ATOM 3477 CB GLN B 99 92. .829 70. .329 38. .259 1. ,00 47. ,94 BBBB C

ATOM 3478 CG GLN B 99 92, .529 71. .637 38. .955 1. ,00 47, .94 BBBB C

ATOM 3479 CD GLN B 99 91. .472 71. .462 40. .046 1. ,00 47, ,94 BBBB C

ATOM 3480 OEl GLN B 99 90. .327 71. .098 39. .766 1. .00 47, .94 BBBB O

ATOM 3481 NE2 GLN B 99 91, .858 71, .706 41, .294 1. .00 47, .94 BBBB N

ATOM 3482 C GLN B 99 93, .079 67, .838 38, .594 1, .00 43, .47 BBBB C

ATOM 3483 O GLN B 99 92, .108 67. .080 38. .507 1. ,00 43, .47 BBBB O

ATOM 3484 N ILE B 100 94. .286 67, .525 38, .144 1, ,00 40. .82 BBBB N

ATOM 3485 CA ILE B 100 94. .542 66. .244 37, .519 1. .00 40, .82 BBBB C

ATOM 3486 CB ILE B 100 95, .914 66, .209 36, .876 1, .00 51, .49 BBBB C

ATOM 3487 CG2 ILE B 100 96, .243 64, .784 36, .442 1, .00 51, .49 BBBB C

ATOM 3488 CGI ILE B 100 95, .941 67 .179 35, .694 1. .00 51, .49 BBBB c

ATOM 3489 CD1 ILE B 100 97, .324 67 .488 35, .185 1. .00 51, .49 BBBB c

ATOM 3490 C ILE B 100 94 .461 65 .119 38 .540 1, .00 40, .82 BBBB c

ATOM 3491 O ILE B 100 93 .795 64 .108 38 .306 1, .00 40, .82 BBBB 0

ATOM 3492 N MET B 101 95 .132 65 .288 39 .675 1, .00 41 .07 BBBB N

ATOM 3493 CA MET B 101 95 .106 64 .255 40 .716 1, .00 41 .07 BBBB C

ATOM 3494 CB MET B 101 96 .022 64 .664 41 .875 1, .00 60 .93 BBBB C

ATOM 3495 CG MET B 101 97 .499 64 .662 41. .501 1, .00 60, .93 BBBB c

ATOM 3496 SD MET B 101 98 .057 63 .020 40 .998 1, ,00 60, .93 BBBB s

ATOM 3497 CE MET B 101 98 .547 62 .349 42 .595 1, .00 60 .93 BBBB c

ATOM 3498 C MET B 101 93 .693 63 .904 41 .237 1 .00 41 .07 BBBB c

ATOM 3499 O MET B 101 93 .443 62 .777 41 .679 1 .00 41 .07 BBBB 0

ATOM 3500 N ARG B 102 92 .762 64 .851 41 .173 1 .00 42 .67 BBBB N

ATOM 3501 CA ARG B 102 91 .408 64 .572 41 .637 1 .00 42 .67 BBBB C

ATOM 3502 CB ARG B 102 90 .681 65 .866 41 .963 1 .00 52 .01 BBBB C

ATOM 3503 CG ARG B 102 91 .390 66 .681 43 .013 1 .00 52 .01 BBBB C ATOM 3504 CD ARG B 102 90,.437 67..666 43.,643 1.,00 52..01 BBBB C

ATOM 3505 NE ARG B 102 89. ,366 66, .967 44. ,329 1. ,00 52, ,01 BBBB N

ATOM 3506 CZ ARG B 102 88, ,334 67, ,566 44. ,903 1. 00 52. ,01 BBBB C

ATOM 3507 NHl ARG B 102 88. ,235 68. ,888 44. ,868 1. 00 52. ,01 BBBB N

ATOM 3508 NH2 ARG B 102 87. .410 66. ,839 45. .519 1. ,00 52, ,01 BBBB N

ATOM 3509 C ARG B 102 90. .578 63, ,755 40. ,655 1. ,00 42, ,67 BBBB C

ATOM 3510 O ARG B 102 89, ,575 63, ,162 41. ,040 1. 00 42, ,67 BBBB O

ATOM 3511 N LYS B 103 90. ,983 63. ,724 39. ,388 1. 00 45. ,61 BBBB N

ATOM 3512 CA LYS B 103 90. ,257 62. ,946 38. ,384 1. 00 45. ,61 BBBB C

ATOM 3513 CB LYS B 103 90. ,528 63. ,452 36. . 966 1. 00 61. ,31 BBBB C

ATOM 3514 CG LYS B 103 90. ,234 64. ,902 36, , 619 1. .00 61, ,31 BBBB C

ATOM 3515 CD LYS B 103 90. .664 65. ,206 35, ,250 1. .00 61. .31 BBBB C

ATOM 3516 CE LYS B 103 90, ,430 66. ,652 34. ,863 1. ,00 61, .31 BBBB C

ATOM 3517 NZ LYS B 103 90. .854 66. .898 33. .451 1, ,00 61. .31 BBBB N

ATOM 3518 C LYS B 103 90, .767 61. .516 38. ,425 1. .00 45. .61 BBBB C

ATOM 3519 O LYS B 103 90. .001 60. .562 38. .304 1. .00 45. .61 BBBB O

ATOM 3520 N LEU B 104 92. .080 61, .390 38. .589 1. .00 56. .69 BBBB N

ATOM 3521 CA LEU B 104 92, ,754 60. .102 38, .576 1. .00 56. .69 BBBB C

ATOM 3522 CB LEU B 104 94, .267 60, .316 38. .571 1. .00 30, .29 BBBB C

ATOM 3523 CG LEU B 104 94, .764 61, .229 37. .447 1. .00 30. .29 BBBB C

ATOM 3524 CD1 LEU B 104 96 , .287 61. .224 37, .398 1. .00 30, .29 BBBB C

ATOM 3525 CD2 LEU B 104 94, .182 60, .770 36, ,130 1, .00 30, .29 BBBB C

ATOM 3526 C LEU B 104 92, .402 59. .082 39, ,635 1. .00 56. .69 BBBB C

ATOM 3527 O LEU B 104 92. .469 59. .342 40. ,836 1. .00 56. .69 BBBB O

ATOM 3528 N ASP B 105 92, .039 57, .900 39, .155 1. .00 62. .87 BBBB N

ATOM 3529 CA ASP B 105 91, .699 56, .775 40. .005 1. .00 62. .87 BBBB C

ATOM 3530 CB ASP B 105 90, .196 56, .716 40, .236 1. .00 66, .24 BBBB C

ATOM 3531 CG ASP B 105 89 .812 55. .643 41, .221 1, .00 66, .24 BBBB C

ATOM 3532 ODl ASP B 105 88 .619 55 .287 41, .273 1. .00 66, .24 BBBB O

ATOM 3533 OD2 ASP B 105 90 .709 55. .160 41, .949 1. .00 66, .24 BBBB O

ATOM 3534 C ASP B 105 92 .149 55 .534 39, .242 1. .00 62, .87 BBBB C

ATOM 3535 O ASP B 105 91 .449 55 .065 38, .348 1. .00 62, .87 BBBB O

ATOM 3536 N HIS B 106 93 .317 55 .000 39, .582 1. .00 42, .26 BBBB N

ATOM 3537 CA HIS B 106 93 .820 53 .832 38, .866 1. .00 42. .26 BBBB C

ATOM 3538 CB HIS B 106 94 .438 54 .296 37 .541 1, .00 48 .87 BBBB C

ATOM 3539 CG HIS B 106 94 .765 53 .184 36 .593 1, .00 48 .87 BBBB C

ATOM 3540 CD2 HIS B 106 94 .124 52 .745 35 .484 1, .00 48 .87 BBBB C

ATOM 3541 NDl HIS B 106 95 .880 52 .386 36 .732 1 .00 48 .87 BBBB N

ATOM 3542 CEl HIS B 106 95 .913 51 .505 35 .747 1, .00 48 .87 BBBB C

ATOM 3543 NE2 HIS B 106 94 .859 51 .701 34 .977 1, .00 48 .87 BBBB N

ATOM 3544 C HIS B 106 94 .828 53 .039 39 .694 1 .00 42 .26 BBBB C

ATOM 3545 0 HIS B 106 95 .525 53 .596 40 .536 1 .00 42 .26 BBBB O ATOM 3546 N CYS B 107 94.903 51..736 39.,441 1.00 33.,36 BBBB N

ATOM 3547 CA CYS B 107 95, ,806 50, .860 40, ,186 1. ,00 33. ,36 BBBB C

ATOM 3548 CB CYS B 107 95. ,517 49. ,391 39. .845 1, ,00 62. ,56 BBBB C

ATOM 3549 SG CYS B 107 95. 804 48. 922 38. ,113 1. 00 62. ,56 BBBB S

ATOM 3550 C CYS B 107 97. 290 51. 143 39. ,979 1. 00 33. ,36 BBBB C

ATOM 3551 O CYS B 107 98. ,122 50. ,760 40. ,799 1. ,00 33, ,36 BBBB O

ATOM 3552 N ASN B 108 97. ,624 51. ,827 38. .893 1. ,00 33. ,93 BBBB N

ATOM 3553 CA ASN B 108 99. ,016 52. ,122 38. ,608 1. ,00 33. ,93 BBBB C

ATOM 3554 CB ASN B 108 99. ,376 51. ,537 37. ,242 1. ,00 32. .60 BBBB C

ATOM 3555 CG ASN B 108 99. ,376 50. ,013 37. ,264 1. ,00 32. ,60 BBBB C

ATOM 3556 ODl ASN B 108 98. ,924 49. ,355 36. .329 1, .00 32. ,60 BBBB 0

ATOM 3557 ND2 ASN B 108 99. ,890 49. ,451 38. .350 1, ,00 32. .60 BBBB N

ATOM 3558 C ASN B 108 99. .354 53. ,599 38. .712 1. .00 33, .93 BBBB C

ATOM 3559 O ASN B 108 100. ,324 54. ,086 38. .139 1. ,00 33. .93 BBBB O

ATOM 3560 N ILE B 109 98. ,543 54, ,311 39. .478 1. ,00 42. .42 BBBB N

ATOM 3561 CA ILE B 109 98. ,774 55. ,722 39, .683 1. ,00 42, .42 BBBB C

ATOM 3562 CB ILE B 109 97. ,757 56. ,562 38. .901 1. .00 31. .64 BBBB c

ATOM 3563 CG2 ILE B 109 97. .908 58, .035 39, .276 1. .00 31, .64 BBBB c

ATOM 3564 CGI ILE B 109 97. .960 56. .293 37. .394 1. ,00 31. .64 BBBB c

ATOM 3565 CD1 ILE B 109 97, .287 57, ,233 36. .463 1. .00 31. .64 BBBB c

ATOM 3566 C ILE B 109 98, .717 56. ,031 41. .166 1. ,00 42. .42 BBBB c

ATOM 3567 O ILE B 109 97. .776 55. .640 41, .860 1. .00 42, .42 BBBB 0

ATOM 3568 N VAL B 110 99. .757 56, .691 41, .660 1, .00 32, .49 BBBB N

ATOM 3569 CA VAL B 110 99. .813 57. .043 43, .064 1. .00 32, .49 BBBB c

ATOM 3570 CB VAL B 110 100. ,995 57, .996 43, .362 1. .00 36, .99 BBBB C

ATOM 3571 CGI VAL B 110 100, .740 59 .383 42 .760 1, .00 36 .99 BBBB C

ATOM 3572 CG2 VAL B 110 101, .210 58, .087 44 .856 1, ,00 36 .99 BBBB c

ATOM 3573 C VAL B 110 98, .502 57 .731 43 .424 1, .00 32 .49 BBBB c

ATOM 3574 O VAL B 110 98, .006 58 .584 42 .678 1, .00 32 .49 BBBB 0

ATOM 3575 N ARG B 111 97 .912 57 .367 44 .554 1 .00 43 .79 BBBB N

ATOM 3576 CA ARG B 111 96 .666 58 .023 44 .898 1 .00 43 .79 BBBB c

ATOM 3577 CB ARG B 111 95 .706 57 .072 45 .627 1 .00 93 .20 BBBB C

ATOM 3578 CG ARG B 111 96 .096 56 .734 47 .050 1 .00 93 .20 BBBB C

ATOM 3579 CD ARG B 111 94 .856 56 .429 47 .890 1 .00 93 .20 BBBB C

ATOM 3580 NE ARG B 111 94 .087 55 .312 47 .353 1 .00 93 .20 BBBB N

ATOM 3581 CZ ARG B 111 92 .848 54 .998 47 .733 1 .00 93 .20 BBBB C

ATOM 3582 NHl ARG B 111 92 .226 55 .722 48 .661 1 .00 93 .20 BBBB N

ATOM 3583 NH2 ARG B 111 92 .227 53 .959 47 .181 1 .00 93 .20 BBBB N

ATOM 3584 C ARG B 111 96 .919 59 .246 45 .745 1 .00 43 .79 BBBB C

ATOM 3585 O ARG B 111 97 .863 59 .296 46 .525 1 .00 43 .79 BBBB O

ATOM 3586 N LEU B 112 96 .098 60 .261 45 .536 1 .00 32 .76 BBBB N

ATOM 3587 CA LEU B 112 96 .174 61 .479 46 .320 1 .00 32 .76 BBBB C ATOM 3588 CB LEU B 112 95.547 62.634 45.534 1.00 34.97 BBBB C

ATOM 3589 CG LEU B 112 95.406 63.978 46.241 1.00 34.97 BBBB C

ATOM 3590 CD1 LEU B 112 96.778 64.484 46.641 1.00 34.97 BBBB C

ATOM 3591 CD2 LEU B 112 94.727 64.966 45.309 1.00 34.97 BBBB C

ATOM 3592 C LEU B 112 95.319 61.156 47.549 1.00 32.76 BBBB C

ATOM 3593 O LEU B 112 94.102 61.050 47.432 1.00 32.76 BBBB O

ATOM 3594 N ARG B 113 95.939 60.948 48.704 1.00 43.24 BBBB N

ATOM 3595 CA ARG B 113 95.143 60.652 49.890 1.00 43.24 BBBB C

ATOM 3596 CB ARG B 113 96.037 60.170 51.048 1.00 60.48 BBBB C

ATOM 3597 CG ARG B 113 96.345 58.663 50.995 1.00 60.48 BBBB C

ATOM 3598 CD ARG B 113 97.007 58.153 52.267 1.00 60.48 BBBB C

ATOM 3599 NE ARG B 113 96.100 57.437 53.170 1.00 60.48 BBBB N

ATOM 3600 CZ ARG B 113 96.493 56.882 54.316 1.00 60.48 BBBB C

ATOM 3601 NHl ARG B 113 97.762 56.962 54.690 1.00 60.48 BBBB N

ATOM 3602 NH2 ARG B 113 95.626 56.240 55.092 1.00 60.48 BBBB N

ATOM 3603 C ARG B 113 94.344 61.890 50.302 1.00 43.24 BBBB C

ATOM 3604 O ARG B 113 93.123 61.933 50.161 1.00 43.24 BBBB O

ATOM 3605 N TYR B 114 95.043 62.905 50.790 1.00 41.55 BBBB N

ATOM 3606 CA TYR B 114 94.402 64.142 51.190 1.00 41.55 BBBB C

ATOM 3607 CB TYR B 114 94.457 64.344 52.707 1.00 49.30 BBBB C

ATOM 3608 CG TYR B 114 93.881 63.227 53.517 1.00 49.30 BBBB C

ATOM 3609 CD1 TYR B 114 94.695 62.216 54.002 1.00 49.30 BBBB C

ATOM 3610 CEl TYR B 114 94.174 61.177 5 544..776644 1.00 49.30 BBBB C

ATOM 3611 CD2 TYR B 114 92.521 63.180 53.807 1.00 49.30 BBBB C

ATOM 3612 CE2 TYR B 114 91.986 62.149 54.565 1.00 49.30 BBBB C

ATOM 3613 CZ TYR B 114 92.819 61.150 55.045 1.00 49.30 BBBB C

ATOM 3614 OH TYR B 114 92.314 60.138 55.835 1.00 49.30 BBBB O

ATOM 3615 C TYR B 114 95.130 65.308 50.567 1.00 41.55 BBBB C

ATOM 3616 0 TYR B 114 96.152 65.141 49.900 1.00 41.55 BBBB O

ATOM 3617 N PHE B 115 94.575 66.493 50.797 1.00 38.78 BBBB N

ATOM 3618 CA PHE B 115 95.179 67.730 50.356 1.00 38.78 BBBB C

ATOM 3619 CB PHE B 115 95.001 67.942 48.846 1.00 40.06 BBBB C

ATOM 3620 CG PHE B 115 93.626 68.344 48.425 1.00 40.06 BBBB C

ATOM 3621 CD1 PHE B 115 93.293 69.689 48.286 1.00 40.06 BBBB C

ATOM 3622 CD2 PHE B 115 92.664 67.377 48.122 1.00 40.06 BBBB C

ATOM 3623 CEl PHE B 115 92.019 70.071 47.848 1.00 40.06 BBBB C

ATOM 3624 CE2 PHE B 115 91.387 67.751 47.685 1.00 40.06 BBBB C

ATOM 3625 CZ PHE B 115 91.066 69.106 47.547 1.00 40.06 BBBB C

ATOM 3626 C PHE B 115 94.579 68.849 51.198 1.00 38.78 BBBB C

ATOM 3627 O PHE B 115 93.432 68.757 51.649 1.00 38.78 BBBB O

ATOM 3628 N PHE B 116 95.383 69.875 51.461 1.00 34.05 BBBB N

ATOM 3629 CA PHE B 116 94.940 70.992 52.275 1.00 34.05 BBBB C ATOM 3630 CB PHE B 116 95,.065 70..618 53.,759 1.,00 38.,13 BBBB C

ATOM 3631 CG PHE B 116 96, .481 70. ,376 54. ,216 1. .00 38. ,13 BBBB C

ATOM 3632 CD1 PHE B 116 97. .289 71. .439 54. .651 1. ,00 38. ,13 BBBB C

ATOM 3633 CD2 PHE B 116 97. ,008 69. ,081 54, .236 1. ,00 38. ,13 BBBB C

ATOM 3634 CEl PHE B 116 98. ,594 71. ,205 55. ,101 1. ,00 38. ,13 BBBB C

ATOM 3635 CE2 PHE B 116 98, ,316 68. ,838 54. ,685 1. ,00 38, ,13 BBBB C

ATOM 3636 CZ PHE B 116 99. .107 69. ,897 55. .118 1. ,00 38. ,13 BBBB C

ATOM 3637 C PHE B 116 95. .776 72. ,218 51. .956 1. .00 34. .05 BBBB C

ATOM 3638 O PHE B 116 96. .808 72. .109 51. .310 1, ,00 34. ,05 BBBB O

ATOM 3639 N TYR B 117 95. .335 73. .388 52. .409 1. ,00 33. .63 BBBB N

ATOM 3640 CA TYR B 117 96, .088 74. .605 52. .128 1. .00 33. ,63 BBBB C

ATOM 3641 CB TYR B 117 95. ,193 75. .644 51. .439 1, ,00 30. ,80 BBBB C

ATOM 3642 CG TYR B 117 94, .626 75, .199 50, .097 1. ,00 30. ,80 BBBB C

ATOM 3643 GDI TYR B 117 93. .531 74. .335 50. .030 1. .00 30. ,80 BBBB C

ATOM 3644 CEl TYR B 117 93, .017 73. .914 48, .814 1. .00 30, .80 BBBB C

ATOM 3645 CD2 TYR B 117 95, .194 75. .632 48, .901 1. .00 30. .80 BBBB C

ATOM 3646 CE2 TYR B 117 94. .690 75. .215 47. .675 1. .00 30. .80 BBBB C

ATOM 3647 CZ TYR B 117 93, .599 74, .355 47, .639 1. .00 30, .80 BBBB C

ATOM 3648 OH TYR B 117 93. .089 73. .937 46, .431 1. .00 30. .80 BBBB O

ATOM 3649 C TYR B 117 96, .736 75. .214 53, .365 1. .00 33, .63 BBBB C

ATOM 3650 O TYR B 117 96, .313 74. .972 54, .495 1. .00 33, ,63 BBBB O

ATOM 3651 N SER B 118 97. .800 75. .974 53. .138 1. .00 54. .21 BBBB N

ATOM 3652 CA SER B 118 98, .515 76, .641 54, .217 1. .00 54. .21 BBBB C

ATOM 3653 CB SER B 118 99 . .969 76, .185 54, .300 1, .00 52. .91 BBBB C

ATOM 3654 OG SER B 118 100 .056 74 .837 54 .697 1, .00 52, .91 BBBB O

ATOM 3655 C SER B 118 98, .504 78, .115 53, .918 1, .00 54, .21 BBBB c

ATOM 3656 O SER B 118 98 .397 78 .521 52 .752 1, .00 54 .21 BBBB 0

ATOM 3657 N SER B 119 98 .626 78 .927 54 .962 1, .00 50, .85 BBBB N

ATOM 3658 CA SER B 119 98 .620 80 .351 54 .717 1, .00 50, ,85 BBBB C

ATOM 3659 CB SER B 119 98, .401 81. .174 55, .978 1, .00 49, .64 BBBB C

ATOM 3660 OG SER B 119 98 .120 82 .506 55 .568 1, .00 49, .64 BBBB O

ATOM 3661 C SER B 119 99 .888 80 .826 54 .075 1 .00 50 .85 BBBB C

ATOM 3662 O SER B 119 100 .994 80 .574 54 .557 1 .00 50 .85 BBBB O

ATOM 3663 N GLY B 120 99 .695 81 .524 52 .967 1 .00 64 .38 BBBB N

ATOM 3664 CA GLY B 120 100 .801 82 .095 52 .231 1, .00 64, .38 BBBB C

ATOM 3665 C GLY B 120 101 .357 83 .301 52 .982 1, .00 64, .38 BBBB C

ATOM 3666 O GLY B 120 101 .263 83 .351 54 .216 1, .00 64, .38 BBBB O

ATOM 3667 N GLU B 121 101 .912 84 .276 52 .255 1 .00 70 .41 BBBB N

ATOM 3668 CA GLU B 121 102 .499 85 .474 52 .859 1 .00 70 .41 BBBB C

ATOM 3669 CB GLU B 121 103 .999 85 .206 53 .021 1 .00 87 .14 BBBB C

ATOM 3670 CG GLU B 121 104 .183 83 .716 53 .373 1 .00 87 .14 BBBB C

ATOM 3671 CD GLU B 121 105 .475 83 .066 52 .918 1 .00 87 .14 BBBB c ATOM 3672 OEl GLU B 121 105.,754 81.,965 53.,455 1.00 87..14 BBBB O

ATOM 3673 OE2 GLU B 121 106. .190 83. ,620 52. .047 1. ,00 87. ,14 BBBB O

ATOM 3674 C GLU B 121 102. .209 86. ,690 51. ,959 1. ,00 70, ,41 BBBB C

ATOM 3675 O GLU B 121 101. ,675 87, ,695 52. ,429 1. ,00 70. .41 BBBB O

ATOM 3676 N ALA B 122 102. ,498 86, ,561 50, ,665 1. ,00 65. .82 BBBB N

ATOM 3677 CA ALA B 122 102. .313 87, .640 49, .699 1. .00 65, .82 BBBB C

ATOM 3678 CB ALA B 122 103. .183 87. .356 48. .481 1. ,00 35, .63 BBBB C

ATOM 3679 C ALA B 122 100. ,874 87. ,950 49. ,240 1. ,00 65. .82 BBBB C

ATOM 3680 O ALA B 122 100. ,683 88, ,454 48. ,125 1. 00 65. .82 BBBB O

ATOM 3681 N ALA B 123 99 . ,874 87, ,673 50. ,078 1. 00 95. .97 BBBB N

ATOM 3682 CA ALA B 123 98. ,464 87, .949 49, ,743 1. ,00 95, .97 BBBB C

ATOM 3683 CB ALA B 123 98. ,306 89, ,395 49. .234 1. ,00 51, .84 BBBB C

ATOM 3684 C ALA B 123 97. .792 86, .996 48, .749 1. .00 95 .97 BBBB C

ATOM 3685 O ALA B 123 97. .129 86. .028 49. .146 1. ,00 95. .97 BBBB O

ATOM 3686 N ASP B 124 97. .931 87, .299 47, .461 1. .00 67, .23 BBBB N

ATOM 3687 CA ASP B 124 97. .311 86. ,501 46. .411 1. ,00 67. .23 BBBB C

ATOM 3688 CB ASP B 124 97. ,347 87. .268 45. ,086 1, .00 63, .86 BBBB C

ATOM 3689 CG ASP B 124 98. .624 88, .061 44, .910 1. .00 63, .86 BBBB C

ATOM 3690 ODl ASP B 124 99. .563 87, .854 45, .711 1. .00 63, .86 BBBB O

ATOM 3691 OD2 ASP B 124 98, .696 88, .894 43, .976 1. .00 63, .86 BBBB O

ATOM 3692 C ASP B 124 97. .877 85, .097 46, .202 1. .00 67, .23 BBBB C

ATOM 3693 O ASP B 124 97, .639 84, .475 45, .162 1. .00 67 .23 BBBB O

ATOM 3694 N GLU B 125 98. .627 84, .583 47, .168 1. .00 55, .70 BBBB N

ATOM 3695 CA GLU B 125 99. ,156 83. .236 47, .004 1. .00 55, .70 BBBB C

ATOM 3696 CB GLU B 125 100, .588 83. .269 46, .489 1. .00 83, .47 BBBB C

ATOM 3697 CG GLU B 125 101, ,550 84, .072 47 .322 1, .00 83 .47 BBBB C

ATOM 3698 CD GLU B 125 102, .923 84, .113 46 .686 1, .00 83 .47 BBBB C

ATOM 3699 OEl GLU B 125 103, ,010 84, .478 45 .490 1, .00 83 .47 BBBB O

ATOM 3700 OE2 GLU B 125 103, .915 83, .777 47 .370 1, .00 83 .47 BBBB O

ATOM 3701 C GLU B 125 99, .071 82 .373 48 .250 1 .00 55 .70 BBBB c

ATOM 3702 O GLU B 125 99, .180 82 .852 49 .378 1, .00 55 .70 BBBB 0

ATOM 3703 N VAL B 126 98, .886 81 .081 48 .024 1, .00 47 .30 BBBB N

ATOM 3704 CA VAL B 126 98 .730 80 .118 49 .097 1 .00 47 .30 BBBB c

ATOM 3705 CB VAL B 126 97, .309 79 .598 49 .073 1, .00 56 .49 BBBB c

ATOM 3706 CGI VAL B 126 97 .103 78 .759 47 .820 1 .00 56 .49 BBBB c

ATOM 3707 CG2 VAL B 126 97 .026 78 .788 50 .291 1 .00 56 .49 BBBB c

ATOM 3708 C VAL B 126 99 .663 78 .922 48 .912 1 .00 47 .30 BBBB c

ATOM 3709 O VAL B 126 100 .318 78 .785 47 .873 1 .00 47 .30 BBBB 0

ATOM 3710 N TYR B 127 99 .726 78 .063 49 .928 1 .00 57 .84 BBBB N

ATOM 3711 CA TYR B 127 100 .524 76 .845 49 .846 1, .00 57 .84 BBBB c

ATOM 3712 CB TYR B 127 101 .386 76 .630 51 .096 1 .00 54 .84 BBBB C

ATOM 3713 CG TYR B 127 102 .645 77 .444 51 .097 1 .00 54 .84 BBBB C ATOM 3714 CD1 TYR B 127 102..731 78.617 51.,844 1.,00 54..84 BBBB C

ATOM 3715 CEl TYR B 127 103. .853 79. ,428 51. ,777 1. .00 54. ,84 BBBB C

ATOM 3716 CD2 TYR B 127 103, .725 77. ,092 50, ,283 1, ,00 54, ,84 BBBB C

ATOM 3717 CE2 TYR B 127 104. ,858 77. 900 50. 205 1. 00 54. ,84 BBBB C

ATOM 3718 CZ TYR B 127 104. ,910 79. ,070 50, ,954 1. ,00 54. .84 BBBB C

ATOM 3719 OH TYR B 127 105, ,990 79. ,910 50. ,860 1. ,00 54. ,84 BBBB O

ATOM 3720 C TYR B 127 99. ,546 75. 698 49. ,724 1. 00 57. ,84 BBBB C

ATOM 3721 O TYR B 127 98, ,610 75. ,592 50. ,519 1. ,00 57. .84 BBBB O

ATOM 3722 N LEU B 128 99, .744 74. ,859 48. ,715 1. ,00 31. ,32 BBBB N

ATOM 3723 CA LEU B 128 98. ,886 73. ,705 48. ,520 1. ,00 31. ,32 BBBB C

ATOM 3724 CB LEU B 128 98, .523 73, .557 47. ,040 1. .00 33. ,78 BBBB C

ATOM 3725 CG LEU B 128 97, .779 72. ,280 46. ,638 1. ,00 33. ,78 BBBB C

ATOM 3726 CD1 LEU B 128 96. .536 72. ,130 47. ,481 1. ,00 33, .78 BBBB C

ATOM 3727 CD2 LEU B 128 97. .428 72. .320 45. ,155 1. ,00 33. .78 BBBB C

ATOM 3728 C LEU B 128 99. .670 72. ,495 48. ,996 1. .00 31. .32 BBBB C

ATOM 3729 O LEU B 128 100. .820 72. .319 48, .625 1. ,00 31. .32 BBBB O

ATOM 3730 N ASN B 129 99, .062 71. .670 49, .830 1. .00 33. .77 BBBB N

ATOM 3731 CA ASN B 129 99, .749 70. .491 50. .322 1. .00 33. .77 BBBB C

ATOM 3732 CB ASN B 129 99. .814 70. .499 51. ,854 1. ,00 40, .18 BBBB C

ATOM 3733 CG ASN B 129 100. .422 71. .765 52. .401 1. .00 40, .18 BBBB C

ATOM 3734 ODl ASN B 129 99. .728 72. .759 52. .614 1. .00 40, .18 BBBB O

ATOM 3735 ND2 ASN B 129 101, .727 71. .743 52, .622 1, .00 40, .18 BBBB N

ATOM 3736 C ASN B 129 99, .095 69. .196 49, .855 1, .00 33, .77 BBBB C

ATOM 3737 O ASN B 129 97, ,948 68, .908 50, .203 1. .00 33, .77 BBBB O

ATOM 3738 N LEU B 130 99 .848 68, .424 49, .072 1, .00 40 .82 BBBB N

ATOM 3739 CA LEU B 130 99 .389 67, .145 48, .538 1, .00 40, .82 BBBB C

ATOM 3740 CB LEU B 130 99 . .889 66 , .973 47, .100 1, .00 34, .91 BBBB C

ATOM 3741 CG LEU B 130 99 .190 67 .774 45 .995 1. .00 34 .91 BBBB C

ATOM 3742 CD1 LEU B 130 98 .893 69 .161 46 .460 1. .00 34 .91 BBBB C

ATOM 3743 CD2 LEU B 130 100 .063 67, .823 44, .760 1, .00 34 .91 BBBB C

ATOM 3744 C LEU B 130 99 .908 66 .014 49 .425 1 .00 40 .82 BBBB C

ATOM 3745 O LEU B 130 101 .115 65 .891 49 .649 1 .00 40 .82 BBBB O

ATOM 3746 N VAL B 131 98 .985 65 .203 49 .936 1 .00 28 .53 BBBB N

ATOM 3747 CA VAL B 131 99 .312 64 .088 50 .817 1 .00 28 .53 BBBB C

ATOM 3748 CB VAL B 131 98 .375 64 .047 52 .040 1. .00 30 .34 BBBB C

ATOM 3749 CGI VAL B 131 98 .650 62 .792 52 .849 1, .00 30 .34 BBBB C

ATOM 3750 CG2 VAL B 131 98 .573 65 .296 52 .896 1 .00 30 .34 BBBB C

ATOM 3751 C VAL B 131 99 .205 62 .757 50 .094 1 .00 28 .53 BBBB C

ATOM 3752 O VAL B 131 98 .112 62 .204 49 .915 1 .00 28 .53 BBBB O

ATOM 3753 N LEU B 132 100 .362 62 .231 49 .716 1 .00 43 .32 BBBB N

ATOM 3754 CA LEU B 132 100 .453 60 .982 48 .983 1 .00 43 .32 BBBB C

ATOM 3755 CB LEU B 132 101 .409 61 .179 47 .816 1 .00 38 .70 BBBB C ATOM 3756 CG LEU B 132 101..207 62,.557 47.,174 1..00 38,.70 BBBB C

ATOM 3757 CD1 LEU B 132 102, .490 63, ,034 46. .521 1. .00 38, .70 BBBB C

ATOM 3758 CD2 LEU B 132 100, .053 62, .492 46. .188 1. .00 38, .70 BBBB C

ATOM 3759 C LEU B 132 100. .955 59. ,847 49. ,859 1. ,00 43. .32 BBBB C

ATOM 3760 O LEU B 132 101, ,492 60. ,059 50. ,951 1, ,00 43. .32 BBBB O

ATOM 3761 N ASP B 133 100. ,770 58, .627 49. .378 1. ,00 66, .34 BBBB N

ATOM 3762 CA ASP B 133 101, ,255 57. .477 50. ,110 1. ,00 66 , ,34 BBBB C

ATOM 3763 CB ASP B 133 100. ,708 56. ,185 49. ,520 1. ,00 66. .98 BBBB C

ATOM 3764 CG ASP B 133 99. .227 56. .030 49, .757 1. ,00 66. .98 BBBB C

ATOM 3765 ODl ASP B 133 98. ,788 56. ,351 50. .879 1. .00 66, .98 BBBB O

ATOM 3766 OD2 ASP B 133 98. ,500 55, ,580 48, ,847 1. .00 66. .98 BBBB O

ATOM 3767 C ASP B 133 102, .761 57, .499 49. .966 1, .00 66 .34 BBBB C

ATOM 3768 O ASP B 133 103. .296 57, .985 48, .961 1. .00 66 , .34 BBBB O

ATOM 3769 N TYR B 134 103. .454 56. .989 50, .971 1. .00 68. .26 BBBB N

ATOM 3770 CA TYR B 134 104, .898 56, .958 50. .896 1, .00 68, .26 BBBB C

ATOM 3771 CB TYR B 134 105, .518 57, .200 52. .265 1, .00 57, .43 BBBB C

ATOM 3772 CG TYR B 134 107, .019 57, .326 52. .195 1. .00 57, .43 BBBB C

ATOM 3773 CD1 TYR B 134 107, .619 58, .375 51. .494 1, .00 57, .43 BBBB C

ATOM 3774 CEl TYR B 134 109. ,005 58, .475 51. .398 1. . 00 57. .43 BBBB C

ATOM 3775 CD2 TYR B 134 107. ,838 56, .381 52, .798 1. .00 57. .43 BBBB C

ATOM 3776 CE2 TYR B 134 109, .222 56, .467 52, .710 1. .00 57, .43 BBBB C

ATOM 3777 CZ TYR B 134 109. .801 57, .513 52. .012 1, .00 57, .43 BBBB C

ATOM 3778 OH TYR B 134 111. .178 57. .592 51. .940 1. .00 57, .43 BBBB 0

ATOM 3779 C TYR B 134 105. .366 55, .621 50. .341 1. .00 68, .26 BBBB c

ATOM 3780 O TYR B 134 104. .973 54, .556 50. .824 1, .00 68, ,26 BBBB 0

ATOM 3781 N VAL B 135 106. .197 55, .702 49. .311 1. ,00 41, .29 BBBB N

ATOM 3782 CA VAL B 135 106, .754 54, .539 48. .638 1. .00 41, .29 BBBB C

ATOM 3783 CB VAL B 135 105, .968 54 .221 47, .362 1, .00 46 .12 BBBB C

ATOM 3784 CGI VAL B 135 106, .577 53 .034 46, .650 1, .00 46 .12 BBBB C

ATOM 3785 CG2 VAL B 135 104, .535 53 .937 47, .711 1, .00 46 .12 BBBB C

ATOM 3786 C VAL B 135 108, .177 54 .944 48. .288 1, .00 41 .29 BBBB C

ATOM 3787 O VAL B 135 108, .408 55 .678 47 .325 1, .00 41 .29 BBBB O

ATOM 3788 N PRO B 136 109, .155 54 .468 49 .073 1, .00 59 .25 BBBB N

ATOM 3789 CD PRO B 136 108 .982 53 .465 50 .144 1 .00 44 .16 BBBB C

ATOM 3790 CA PRO B 136 110, .572 54. .777 48. .878 1, .00 59, .25 BBBB C

ATOM 3791 CB PRO B 136 111, .172 54 .405 50, .219 1, .00 44, .16 BBBB C

ATOM 3792 CG PRO B 136 110 .415 53 .133 50 .528 1, .00 44 .16 BBBB C

ATOM 3793 C PRO B 136 111 .235 54 .030 47 .732 1, .00 59 .25 BBBB C

ATOM 3794 O PRO B 136 112 .178 54 .538 47 .128 1, .00 59 .25 BBBB 0

ATOM 3795 N GLU B 137 110 .754 52 .829 47 .428 1 .00 40 .25 BBBB N

ATOM 3796 CA GLU B 137 111 .358 52 .052 46 .357 1, .00 40 .25 BBBB C

ATOM 3797 CB GLU B 137 111 .113 50 .562 46 .576 1, .00 81 .65 BBBB c ATOM 3798 CG GLU B 137 112.,173 49,.711 45.,912 1.,00 81.,65 BBBB C

ATOM 3799 CD GLU B 137 113. ,573 50, ,185 46. ,275 1. ,00 81. ,65 BBBB C

ATOM 3800 OEl GLU B 137 113. ,874 50, ,266 47. ,484 1. ,00 81. ,65 BBBB O

ATOM 3801 OE2 GLU B 137 114. 374 50, ,483 45. ,362 1. ,00 81. ,65 BBBB O

ATOM 3802 C GLU B 137 110. 859 52. ,463 44. ,976 1. 00 40. ,25 BBBB C

ATOM 3803 O GLU B 137 109. 648 52. ,534 44. 737 1. 00 40. 25 BBBB O

ATOM 3804 N THR B 138 111. ,805 52, ,722 44, ,073 1. ,00 46. ,44 BBBB N

ATOM 3805 CA THR B 138 111. ,495 53. ,148 42. ,707 1. ,00 46. ,44 BBBB C

ATOM 3806 CB THR B 138 111. ,808 54. ,651 42. ,499 1. 00 30. ,91 BBBB C

ATOM 3807 OG1 THR B 138 113, ,224 54. .867 42. .560 1. ,00 30, ,91 BBBB O

ATOM 3808 CG2 THR B 138 111. ,131 55. .485 43. ,563 1, ,00 30, ,91 BBBB c

ATOM 3809 C THR B 138 112. ,279 52. .369 41. ,662 1. ,00 46. ,44 BBBB c

ATOM 3810 O THR B 138 113. ,363 51. ,855 41. ,936 1. ,00 46. .44 BBBB 0

ATOM 3811 N VAL B 139 111. ,731 52. ,308 40. ,454 1. ,00 31. ,08 BBBB N

ATOM 3812 CA VAL B 139 112. ,370 51, .589 39. ,363 1. .00 31. ,08 BBBB C

ATOM 3813 CB VAL B 139 111. ,649 51. .855 38, ,018 1. .00 21. ,38 BBBB C

ATOM 3814 CGI VAL B 139 112, ,476 51. .371 36, .858 1, .00 21, ,38 BBBB C

ATOM 3815 CG2 VAL B 139 110. .324 51, .150 38. .016 1, .00 21. .38 BBBB C

ATOM 3816 C VAL B 139 113, .814 52. .021 39. .277 1. ,00 31. .08 BBBB C

ATOM 3817 O VAL B 139 114. .701 51. .201 39. ,037 1. ,00 31. .08 BBBB 0

ATOM 3818 N TYR B 140 114, .057 53, .305 39. ,503 1, ,00 50. .47 BBBB N

ATOM 3819 CA TYR B 140 115. .417 53, .811 39. .449 1, ,00 50. .47 BBBB C

ATOM 3820 CB TYR B 140 115. .444 55. .323 39, .660 1. .00 49. .44 BBBB C

ATOM 3821 CG TYR B 140 116, .848 55, .860 39, .754 1, .00 49, .44 BBBB C

ATOM 3822 CD1 TYR B 140 117, .671 55, .902 38, .624 1. .00 49, .44 BBBB C

ATOM 3823 CEl TYR B 140 118, .999 56, .317 38, .712 1, .00 49, .44 BBBB C

ATOM 3824 CD2 TYR B 140 117 .387 56 .255 40, .985 1, ,00 49 .44 BBBB C

ATOM 3825 CE2 TYR B 140 118 .713 56 .673 41. .090 1, .00 49 .44 BBBB C

ATOM 3826 CZ TYR B 140 119 .515 56 .697 39, .949 1, .00 49, .44 BBBB c

ATOM 3827 OH TYR B 140 120 .837 57 .067 40 .033 1 .00 49 .44 BBBB 0

ATOM 3828 C TYR B 140 116 .309 53 .131 40 .500 1 .00 50 .47 BBBB c

ATOM 3829 O TYR B 140 117 .415 52 .697 40 .189 1 .00 50 .47 BBBB 0

ATOM 3830 N ARG B 141 115 .832 53 .042 41 .738 1 .00 45 .41 BBBB N

ATOM 3831 CA ARG B 141 116 .618 52 .410 42 .790 1 .00 45 .41 BBBB C

ATOM 3832 CB ARG B 141 115 .916 52 .556 44 .145 1, .00 73 .13 BBBB C

ATOM 3833 CG ARG B 141 116 .302 53 .837 44 .865 1 .00 73 .13 BBBB C

ATOM 3834 CD ARG B 141 115 .424 54 .120 46 .063 1 .00 73 .13 BBBB C

ATOM 3835 NE ARG B 141 115 .880 55 .298 46 .805 1 .00 73 .13 BBBB N

ATOM 3836 CZ ARG B 141 116 .120 56 .493 46 .261 1 .00 73 .13 BBBB C

ATOM 3837 NHl ARG B 141 115 .956 56 .685 44 .956 1 .00 73 .13 BBBB N

ATOM 3838 NH2 ARG B 141 116 .515 57 .505 47 .029 1 .00 73 .13 BBBB N

ATOM 3839 C ARG B 141 116 .894 50 .942 42 .489 1 .00 45 .41 BBBB C ATOM 3840 O ARG B 141 118..021 50.,467 42,,629 1.,00 45.,41 BBBB O

ATOM 3841 N VAL B 142 115. ,859 50. ,227 42, ,074 1. 00 40. ,70 BBBB N

ATOM 3842 CA VAL B 142 116. ,008 48. ,829 41, .737 1. ,00 40. .70 BBBB C

ATOM 3843 CB VAL B 142 114. ,672 48. 252 41. ,265 1. 00 37. ,05 BBBB C

ATOM 3844 CGI VAL B 142 114. ,900 46. ,950 40. ,535 1. ,00 37. ,05 BBBB c

ATOM 3845 CG2 VAL B 142 113, ,753 48. ,038 42. .452 1. ,00 37. ,05 BBBB c

ATOM 3846 C VAL B 142 117. .050 48. .645 40. .627 1, ,00 40. ,70 BBBB c

ATOM 3847 O VAL B 142 117, ,836 47. . 696 40. .649 1. ,00 40. ,70 BBBB 0

ATOM 3848 N ALA B 143 117. ,053 49, .563 39, .661 1. ,00 36. .57 BBBB N

ATOM 3849 CA ALA B 143 117. .967 49. ,484 38. .539 1. ,00 36. .57 BBBB C

ATOM 3850 CB ALA B 143 117, ,450 50. .303 37. .394 1. ,00 27, .85 BBBB C

ATOM 3851 C ALA B 143 119. ,368 49. ,932 38, ,902 1. 00 36. ,57 BBBB C

ATOM 3852 O ALA B 143 120. ,340 49, ,476 38. ,304 1. .00 36. ,57 BBBB O

ATOM 3853 N ARG B 144 119. ,485 50, ,842 39. .857 1. ,00 53. ,52 BBBB N

ATOM 3854 CA ARG B 144 120. ,811 51, ,295 40. .243 1. ,00 53. ,52 BBBB C

ATOM 3855 CB ARG B 144 120. .746 52, ,548 41. .115 1. . 00 60. ,52 BBBB C

ATOM 3856 CG ARG B 144 122, ,126 52, ,997 41. .594 1. ,00 60, ,52 BBBB C

ATOM 3857 CD ARG B 144 122. ,043 54, ,122 42. .606 1, .00 60. .52 BBBB C

ATOM 3858 NE ARG B 144 120. .857 53. .971 43. .446 1. .00 60. .52 BBBB N

ATOM 3859 CZ ARG B 144 120. .552 54. .751 44. .481 1, .00 60. .52 BBBB C

ATOM 3860 NHl ARG B 144 121. .357 55. ,749 44. .829 1, .00 60. ,52 BBBB N

ATOM 3861 NH2 ARG B 144 119, .418 54, .556 45, .141 1. ,00 60, .52 BBBB N

ATOM 3862 C ARG B 144 121, .457 50, .161 41, .021 1. ,00 53. .52 BBBB C

ATOM 3863 O ARG B 144 122, ,673 50. .019 41, .041 1. ,00 53. .52 BBBB O

ATOM 3864 N HIS B 145 120. .611 49, .354 41, .646 1. ,00 51. .45 BBBB N

ATOM 3865 CA HIS B 145 121, .046 48, .215 42, .431 1, .00 51, .45 BBBB C

ATOM 3866 CB HIS B 145 119, .837 47, .552 43, .098 1. .00 57, .47 BBBB C

ATOM 3867 CG HIS B 145 120, .200 46, .515 44, .111 1. ,00 57, .47 BBBB C

ATOM 3868 CD2 HIS B 145 120, .446 46, .621 45, .438 1, .00 57, .47 BBBB C

ATOM 3869 NDl HIS B 145 120, .336 45, .178 43, .800 1. .00 57, .47 BBBB N

ATOM 3870 CEl HIS B 145 120 .645 44 .506 44 .894 1, .00 57 .47 BBBB C

ATOM 3871 NE2 HIS B 145 120 .717 45 .358 45 .902 1, .00 57 .47 BBBB N

ATOM 3872 C HIS B 145 121 .761 47 .218 41 .517 1, .00 51 .45 BBBB C

ATOM 3873 O HIS B 145 122 .957 46 .983 41 .662 1, .00 51 .45 BBBB O

ATOM 3874 N TYR B 146 121 .021 46 .650 40 .572 1 .00 57 .34 BBBB N

ATOM 3875 CA TYR B 146 121 .574 45 .692 39 .628 1, .00 57 .34 BBBB C

ATOM 3876 CB TYR B 146 120 .492 45 .274 38 .631 1 .00 47 .01 BBBB c

ATOM 3877 CG TYR B 146 119 .471 44 .361 39 .258 1 .00 47 .01 BBBB c

ATOM 3878 CD1 TYR B 146 118 .487 44 .855 40 .116 1 .00 47 .01 BBBB c

ATOM 3879 CEl TYR B 146 117 .586 43 .992 40 .751 1 .00 47 .01 BBBB c

ATOM 3880 CD2 TYR B 146 119 .528 42 .988 39 .048 1 .00 47 .01 BBBB c

ATOM 3881 CE2 TYR B 146 118 .635 42 .122 39 .677 1. .00 47 .01 BBBB c ATOM 3882 CZ TYR B 146 117,,672 42,.628 40,.521 1..00 47.,01 BBBB C

ATOM 3883 OH TYR B 146 116, ,809 41. .746 41. .122 1. .00 47. ,01 BBBB O

ATOM 3884 C TYR B 146 122. .810 46, .178 38, .880 1. .00 57, .34 BBBB C

ATOM 3885 O TYR B 146 123, .559 45. .377 38, .330 1, ,00 57. .34 BBBB O

ATOM 3886 N SER B 147 123. .039 47. .484 38, .882 1. .00 56. .89 BBBB N

ATOM 3887 CA SER B 147 124, ,182 48. .053 38, .179 1. .00 56. .89 BBBB C

ATOM 3888 CB SER B 147 123. ,849 49, ,475 37, .727 1. ,00 61. .16 BBBB C

ATOM 3889 OG SER B 147 124. .937 50, .065 37, .040 1, .00 61, .16 BBBB O

ATOM 3890 C SER B 147 125. .439 48, ,058 39, .043 1, .00 56, .89 BBBB C

ATOM 3891 O SER B 147 126. .569 47. .930 38, .546 1. .00 56. .89 BBBB O

ATOM 3892 N ALA B 148 125, .243 48. .231 40, .341 1, ,00 58. .44 BBBB N

ATOM 3893 CA ALA B 148 126. .358 48, .244 41, .267 1, ,00 58, .44 BBBB C

ATOM 3894 CB ALA B 148 125. .938 48. .911 42, .559 1, ,00 43. .13 BBBB C

ATOM 3895 C ALA B 148 126. .757 46. .789 41. .503 1. .00 58. .44 BBBB C

ATOM 3896 O ALA B 148 127. .890 46, .487 41, .863 1. .00 58, .44 BBBB O

ATOM 3897 N ALA B 149 125. .799 45. ,898 41. ,282 1. .00 39. .02 BBBB B ϊ

ATOM 3898 CA ALA B 149 126, .000 44, .473 41, .438 1. .00 39, .02 BBBB B c

ATOM 3899 CB ALA B 149 124, .676 43, .805 41, .770 1. .00 30, .80 BBBB B S

ATOM 3900 C ALA B 149 126. .565 43. .915 40. .134 1. .00 39. .02 BBBB B -;

ATOM 3901 O ALA B 149 126, .746 42, .703 39, .988 1, .00 39, .02 BBBB B -

ATOM 3902 N ALA B 150 126. .833 44, ,822 39, .192 1. .00 75, .22 BBBB N

ATOM 3903 CA ALA B 150 127, .375 44, .480 37, .878 1, .00 75, .22 BBBB C

ATOM 3904 CB ALA B 150 128, .870 44, .177 38, .004 1, .00 45, .41 BBBB C

ATOM 3905 C ALA B 150 126. .625 43, .282 37, .316 1. .00 75, .22 BBBB C

ATOM 3906 O ALA B 150 127, .236 42, .339 36. .797 1, .00 75, .22 BBBB O

ATOM 3907 N ALA B 151 125, .299 43, .350 37, .419 1, .00 75, .62 BBBB N

ATOM 3908 CA ALA B 151 124, .430 42, .291 36, .959 1. .00 75, .62 BBBB C

ATOM 3909 CB ALA B 151 124. .299 41, .246 38, .046 1. .00 51. .42 BBBB C

ATOM 3910 C ALA B 151 123, .045 42, .713 36, .512 1. .00 75, .62 BBBB C

ATOM 3911 O ALA B 151 122 .684 43, .863 36, .491 1, .00 75, .62 BBBB O

ATOM 3912 N THR B 152 122, .370 41, .667 36, .068 1, .00 80, .91 BBBB N

ATOM 3913 CA THR B 152 121, .020 41, .589 35, .537 1, .00 80, .91 BBBB C

ATOM 3914 CB THR B 152 120, .418 40, .229 36, .007 1. ,00100, .91 BBBB C

ATOM 3915 OG1 THR B 152 119 .341 39. .856 35, .136 1, .00100, .91 BBBB O

ATOM 3916 CG2 THR B 152 119, .979 40, .322 37, .425 1. .00100, .91 BBBB C

ATOM 3917 C THR B 152 119, .970 42, .709 35, .634 1. .00 80, .91 BBBB C

ATOM 3918 O THR B 152 120 .226 43 .900 35 .421 1, .00 80 .91 BBBB O

ATOM 3919 N LEU B 153 118 .760 42 .200 35 .821 1, .00 51 .53 BBBB N

ATOM 3920 CA LEU B 153 117 .430 42 .804 35 .997 1, .00 51 .53 BBBB C

ATOM 3921 CB LEU B 153 117 .243 44 .188 35 .384 1, .00 48 .26 BBBB C

ATOM 3922 CG LEU B 153 115 .800 44 .562 35, .804 1, .00 48 .26 BBBB C

ATOM 3923 GDI LEU B 153 115 .697 44 .436 37 .325 1, .00 48 .26 BBBB C ATOM 3924 CD2 LEU B 153 115.,381 45..953 35..368 1,,00 48,.26 BBBB C

ATOM 3925 C LEU B 153 116. .552 41. .813 35. .248 1. ,00 51, .53 BBBB C

ATOM 3926 O LEU B 153 116. .150 42. .046 34. .106 1. ,00 51, .53 BBBB O

ATOM 3927 N PRO B 154 116. ,275 40, .678 35. ,892 1. ,00 50, ,08 BBBB N

ATOM 3928 CD PRO B 154 116. ,455 40, .558 37. ,352 1. ,00 29. ,87 BBBB C

ATOM 3929 CA PRO B 154 115, ,465 39. .583 35. ,370 1. ,00 50. ,08 BBBB C

ATOM 3930 CB PRO B 154 114. .913 38, .942 36. .644 1, ,00 29. .87 BBBB C

ATOM 3931 CG PRO B 154 116. .045 39. .128 37. .618 1. ,00 29. .87 BBBB C

ATOM 3932 C PRO B 154 114. .396 40. .196 34. .466 1. .00 50. .08 BBBB C

ATOM 3933 O PRO B 154 113. .544 40, .971 34. .920 1. .00 50, .08 BBBB O

ATOM 3934 N VAL B 155 114. .463 39, ,859 33, .185 1. .00 33, .80 BBBB N

ATOM 3935 CA VAL B 155 113. ,557 40, .368 32, ,171 1, ,00 33. .80 BBBB C

ATOM 3936 CB VAL B 155 113. .750 39, .599 30. .850 1. .00 43, .32 BBBB C

ATOM 3937 CGI VAL B 155 112. .918 38, .323 30. .861 1. .00 43, .32 BBBB C

ATOM 3938 CG2 VAL B 155 113, .394 40 .480 29, .673 1, .00 43, .32 BBBB C

ATOM 3939 C VAL B 155 112, .084 40, .322 32, ,534 1. .00 33, .80 BBBB C

ATOM 3940 O VAL B 155 111, .293 41, .079 31, .989 1. .00 33. .80 BBBB O

ATOM 3941 N ILE B 156 111, .694 39 .437 33, .441 1, .00 27, .43 BBBB N

ATOM 3942 CA ILE B 156 110. .291 39. .371 33. .787 1. .00 27. ,43 BBBB C

ATOM 3943 CB ILE B 156 109, .929 38, .120 34. .656 1. .00 29, ,08 BBBB C

ATOM 3944 CG2 ILE B 156 110. .569 38, .194 36. .044 1. .00 29. .08 BBBB C

ATOM 3945 CGI ILE B 156 108. .401 38, .047 34, .792 1. .00 29. ,08 BBBB c

ATOM 3946 CD1 ILE B 156 107. .876 36, .746 35, .276 1. .00 29, .08 BBBB c

ATOM 3947 C ILE B 156 109. .899 40, .631 34. .526 1. .00 27. .43 BBBB c

ATOM 3948 O ILE B 156 108. .775 41, .100 34. .406 1, .00 27. .43 BBBB 0

ATOM 3949 N TYR B 157 110. .823 41 .171 35, .303 1, .00 37, ,82 BBBB N

ATOM 3950 CA TYR B 157 110. .547 42 .392 36 .040 1, .00 37, .82 BBBB C

ATOM 3951 CB TYR B 157 Ill, .658 42 .649 37, .056 1, .00 57, .06 BBBB C

ATOM 3952 CG TYR B 157 111, .565 41 .762 38, .268 1, .00 57, .06 BBBB c

ATOM 3953 CD1 TYR B 157 112, .709 41 .290 38 .906 1 .00 57 .06 BBBB c

ATOM 3954 CEl TYR B 157 112, .615 40 .473 40 .029 1, .00 57 . 06 BBBB c

ATOM 3955 CD2 TYR B 157 110 .324 41 .397 38 .783 1 .00 57 .06 BBBB c

ATOM 3956 CE2 TYR B 157 110 .217 40 .586 39 .898 1 .00 57 .06 BBBB c

ATOM 3957 CZ TYR B 157 111, .362 40 .125 40 .517 1, .00 57 .06 BBBB c

ATOM 3958 OH TYR B 157 111, .247 39 .308 41 .621 1, .00 57, .06 BBBB 0

ATOM 3959 C TYR B 157 110, .460 43 .529 35, .034 1, .00 37, .82 BBBB c

ATOM 3960 O TYR B 157 109, ,657 44, .447 35, .171 1, .00 37, .82 BBBB 0

ATOM 3961 N VAL B 158 111, .287 43 .448 34 .003 1, .00 36 .16 BBBB N

ATOM 3962 CA VAL B 158 111 .285 44 .457 32 .971 1 .00 36 .16 BBBB C

ATOM 3963 CB VAL B 158 112 .402 44 .198 31 .974 1 .00 31 .22 BBBB c

ATOM 3964 CGI VAL B 158 112 .367 45 .238 30 .866 1 .00 31 .22 BBBB c

ATOM 3965 CG2 VAL B 158 113, .730 44 .228 32 .701 1, .00 31 .22 BBBB c fc fc fc fc fc fc fc fc fc fc fc fc fc f f fc fc fc fc fc fc ι-3 H t-3 HI t-3 HI HI H Hi t-3 H Hi t-3 ι-3 H, fc c

HI t-3 t-3. fc fc fc

Hi t-3 HI *ι-3. t-3 H, ^ cf t-3 Hi 2?3 H,I ^t-3 >ι-,3 ^ fc c c t- t-3 HI >ι-3, f ι-3 t-3 t-3 HI HI HI t-3 HI o d d d d d d d d d d d d d d Q d d d d d d d d d d d d d d d d d d d d d d d d d

2 2 2 2 2 2 2 2 2 3 2 3 3 3 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2

Φ- φ. Φ- Φ- φ. Φ. φ. φ. OJ oo OJ oo 0J 00 oo LO 00 00 co CO LO LO oo CO 00 LO OJ 0J 00 OJ LO OJ CO LO OJ OJ OJ LO OJ OJ 00 C o o o o o o o o VD VD o VD vo VD vo VO VD ID VD O VO VD VD VD vo VO vo vo vo vo VO vo VD VO vo VD vo VO vo vo VD v o o o o o o o o vo VD VD VD VD VD VD VO VO VD 00 00 CO CO 00 CO 00 CO CO 00 -J 1 -O -J -J -J -o -J I •-J CΛ en CΛ c

-j CΛ in Φ- LO DO H o VD 00 -J CΛ LΠ φ. 0J CO H O VD 00 ~o CΛ LΠ φ. 00 CO M O vo 00 ! CΛ in Φ- OJ CO o VD oo -J C

Ω Ω S3 d Ω Ω CD Ω Ω Ω S3 d Ω d Ω Ω Ω X d

03 fc CO α Ω to fc ffi N o CO D CO

HI t-3 t-3 2 2 2 2 2 2 3 3 Hi t-3 ι-3 ι-3 HI ι-3 t-3 HI H HI H HI X X X "¹ X X X tr¹ t-^l X X X X X X X X <!

Ki κ| CO CO CO CO CO O CO CO Ki Ki Ki Ki ≤ Ki Ki Ki i Ki Ki CO CO to o to O X CO Kj Ki Ki Ki Ki i i Ki Ki fc to X to t-3 t-3 H* HI H ι-3 t-3 H to to to X to to to to to to to to ci ci G G X X Q to to cn cn CD cn Cn cn cn X

03 X to to to to to to to 03 03 03 03 to to to 03 03 03 03 03 to to 03 03 to to to X X to to 03 03 to to to 03 to to X t

M H H I-* H l-> M H I-¹ H (-> I-¹ (-> H I-¹ I-¹ H H H> f-¹ ι-> l-¹ H I-¹ H H¹ I-¹ H¹

CΛ CΛ en cn cn CΛ CΛ CΛ CΛ CΛ CΛ CΛ CΛ CΛ CΛ cn CΛ CΛ CΛ en CΛ CΛ CΛ CΛ CΛ CΛ CΛ en CΛ CΛ en LΠ m in in m LΠ in on cπ cπ o

LO LO 00 CO to CO DO DO DO CO CO H H¹ H H H H H H l-¹ l-> H H o o O O o O O O VD VD VD VD VD vo vo VD vo 00 C

H H H H H H I-¹ H¹ H H¹ I-¹

H O O O O o o O o O o o o H o o o o o o o o O o o o O O o o o o O o M 00 LΠ Φ- in 00 -J LΠ en o o CO 03 o 03 -o cn in LΠ CΛ CΛ -J vo VD oo -O 03 VD v H CO O VD LΠ vo cn VD o φ. VD CO CO CO φ. o cn 0J o o φ. o O O Φ- -J o 00 oo v O O φ. -o 00 φ- o 00 Φ- 00 CO H vo σ. in vo o -J CO LO O I-¹ in 03 vo VD -0

-J in CO to Φ- en en in LΠ H 1 to 00 to CO o 0J 00 OJ Φ- φ- 03 LΠ to vo VD Φ- Φ φ. Φ- φ. φ. Φ- in Φ- Φ- Φ- φ. φ. Φ- φ. φ. φ. φ. φ. φ. φ. φ- φ φ- Φ> φ. φ- φ. φ. 00 OJ Φ- φ. φ- Φ- φ. Φ cn VD o CO 03 00 00 03 LΠ Π in CΛ en in LΠ I-¹ CO CO OJ OJ -0 VD vo co LO LΠ

Φ. H to LO o Φ- vo O LO VD CO co in o cn CO 03 to H vo ~0 CΛ -J o H to LΠ Φ cn CO -J VO to CΛ CO Φ- CO O 03 en φ. LΠ to I-¹ 00 DO o o vo CO CO to to VD -J H¹ LΠ cn DO LΠ CO H CO en H CΛ 03 CΛ o o o to φ- OO CΛ o CΛ LΠ φ. cn co

CO oo LO 00 00 00 OJ CO CO OO LO CO 00 0J oo 0J 00 00 0J 0J 00 DO to oo 00 LO oo 00

I-¹ H¹ O vo o o o f-¹ to φ. CO o vo 00 -J 00 cn LΠ 1 LΠ cn LΠ Φ- H co 00 oo o H DO

00 -a LO in 00 m 1 O vo DO o 00 CΛ DO o 1 l 00 en 03 LΠ 00 to -o co oo 00 vo VD CO

H VD Φ- o VD cn oo VD in 00 o CO OJ φ- Lπ LO in CO en O CΛ σ\ Φ- to vo CO 03 03 cn I-¹ VD in VD Φ- φ. φ. Φ- -o o vo m o vo H -a H LΠ o O Φ- H to H vo J Φ.

H H H H H f-¹ H H¹ J-¹ I-¹ I-¹ I-¹ M H H H H H H H H H H H H H H H H H H H H H H H H H o O O o o o o O o o o o o o o o o o o o o o o o o O o O O O o o o o o o

O O o O o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o to 00 10 LO 00 00 00 OJ LO 00 00 00 co 00 φ. Φ- 00 0J LO LO LO oo 00 LO OJ o

00 Φ- φ. L0 o o O Φ- φ- 00 00 LO oo 0J 0J φ. CΛ 0J LO CΛ -o H en c

-o OJ to to DO en cn VD VD VD vo VD vo en cn DO 0J LO 00 00 to φ. φ- Φ- φ- Φ- φ. φ. φ. φ. to to O to o o VD VD VO vo vo o o cn I-¹ 03 03 oo H cn

tO tfl 03 03 03 t0 03 03 03 tO 03 03 03 03 03 03 03 03 03 03 03 tO 03 03 tO tO ta 03 03 03 tO tO tO tO tO 03 W tO ro 03 -O -d 03 O3 03 tU t tO tO -O t0 tU W 03 t0 03 03 03 03 03 03 03 t 03 03 03 03 03 03 03 tfl 03 03 03 03 t0 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 tθ ω tO t0 03 td tθ ω θ3 03 tO tO tθ ω O3 3 03 tO tθ ω ω tO tU tO ta tO 03 03 03 ω 03 03 03 O3 03 tO 03 03 03 03 ϋ3 03 03 03 -O 03 03 03 03 03 03 ω

Ω Ω --3 d Ω Ω CO Ω Ω Ω S3 d Ω d Ω Ω Ω Ω Ω Ω Ω Ω --i d Ω Ω Ω Ω Ω Ω --! Ω Ω S3 Ω Ω Ω Ω Ω S3 d Ω

ATOM 4008 CG TYR B 163 101.,763 45.,162 31..096 1..00 28..74 BBBB C

ATOM 4009 CD1 TYR B 163 101. ,361 44. ,929 29, ,781 1. 00 28. ,74 BBBB C

ATOM 4010 CEl TYR B 163 100, ,038 44. ,634 29, ,472 1. ,00 28. ,74 BBBB C

ATOM 4011 CD2 TYR B 163 100. ,794 45, .099 32, .099 1. ,00 28. ,74 BBBB C

ATOM 4012 CE2 TYR B 163 99, ,465 44, .802 31. ,797 1. ,00 28, ,74 BBBB C

ATOM 4013 CZ TYR B 163 99. ,100 44, .566 30, .483 1, ,00 28. ,74 BBBB C

ATOM 4014 OH TYR B 163 97. ,805 44, .216 30. .176 1, ,00 28. ,74 BBBB O

ATOM 4015 C TYR B 163 102. .762 47. .892 31, .956 1. ,00 34. .74 BBBB C

ATOM 4016 O TYR B 163 102. .047 48. .719 31, .413 1, ,00 34, .74 BBBB O

ATOM 4017 N GLN B 164 102. .855 47. .796 33, .279 1. .00 39. .07 BBBB N

ATOM 4018 CA GLN B 164 102, .093 48, .665 34, .175 1, .00 39, .07 BBBB C

ATOM 4019 CB GLN B 164 102, ,476 48. .391 35. .633 1. .00 37. .89 BBBB C

ATOM 4020 CG GLN B 164 102, .180 46. .965 36, .080 1. .00 37. .89 BBBB C

ATOM 4021 CD GLN B 164 102. .640 46. .671 37. .510 1. .00 37. .89 BBBB C

ATOM 4022 OEl GLN B 164 101. ,931 46. .949 38. .493 1. ,00 37. .89 BBBB O

ATOM 4023 NE2 GLN B 164 103. .841 46, .119 37, .631 1. ,00 37, .89 BBBB N

ATOM 4024 C GLN B 164 102. .303 50. .145 33, .839 1. ,00 39. .07 BBBB C

ATOM 4025 O GLN B 164 101. .388 50. .968 33. .987 1. ,00 39. .07 BBBB O

ATOM 4026 N LEU B 165 103, .502 50, ,483 33, .373 1. .00 40, .51 BBBB N

ATOM 4027 CA LEU B 165 103, .784 51, .861 33, .005 1. .00 40, .51 BBBB C

ATOM 4028 CB LEU B 165 105, .272 52. ,062 32, .740 1. .00 26. .48 BBBB C

ATOM 4029 CG LEU B 165 105, .623 53, .426 32, .139 1, .00 26, .48 BBBB C

ATOM 4030 GDI LEU B 165 105, .056 54, .520 33, .010 1. .00 26, .48 BBBB C

ATOM 4031 CD2 LEU B 165 107, .130 53, ,575 32, .024 1. .00 26, .48 BBBB C

ATOM 4032 C LEU B 165 102, .992 52, .287 31, .771 1. .00 40, .51 BBBB C

ATOM 4033 O LEU B 165 102, .477 53. .395 31, .729 1. .00 40, .51 BBBB 0

ATOM 4034 N PHE B 166 102, .900 51, .417 30, .766 1, .00 33 .82 BBBB N

ATOM 4035 CA PHE B 166 102, .152 51, .747 29, .554 1, .00 33. .82 BBBB C

ATOM 4036 CB PHE B 166 102 .425 50, .729 28 .443 1, .00 30 .67 BBBB C

ATOM 4037 CG PHE B 166 103 .755 50 .899 27 .798 1, .00 30 .67 BBBB C

ATOM 4038 GDI PHE B 166 104 .649 49 .838 27 .719 1, .00 30 .67 BBBB C

ATOM 4039 CD2 PHE B 166 104 .134 52 .133 27 .279 1 .00 30 .67 BBBB C

ATOM 4040 CEl PHE B 166 105 .900 50 .005 27 .133 1 .00 30 .67 BBBB c

ATOM 4041 CE2 PHE B 166 105 .388 52 .303 26 .692 1 .00 30 .67 BBBB c

ATOM 4042 CZ PHE B 166 106 .267 51 .236 26 .623 1 .00 30 .67 BBBB c

ATOM 4043 C PHE B 166 100 .675 51 .775 29 .864 1 .00 33 .82 BBBB c

ATOM 4044 O PHE B 166 99 .893 52 .430 29 .183 1 .00 33 .82 BBBB 0

ATOM 4045 N ARG B 167 100 .300 51 .060 30 .910 1 .00 42 .05 BBBB N

ATOM 4046 CA ARG B 167 98 .908 51 .002 31 .296 1 .00 42 .05 BBBB C

ATOM 4047 CB ARG B 167 98 .678 49 .875 32 .296 1 .00 45 .08 BBBB C

ATOM 4048 CG ARG B 167 97 .271 49 .374 32 .226 1 .00 45 .08 BBBB C

ATOM 4049 CD ARG B 167 96 .935 48 .464 33 .351 1 .00 45 .08 BBBB C ATOM 4050 NE ARG B 167 95..507 48..189 33.,356 1.,00 45.,08 BBBB N

ATOM 4051 CZ ARG B 167 94, .864 47. .591 34, .350 1. ,00 45, ,08 BBBB C

ATOM 4052 NHl ARG B 167 95. ,523 47. .197 35, .420 1. ,00 45. ,08 BBBB N

ATOM 4053 NH2 ARG B 167 93. .556 47, .405 34, .278 1. .00 45. ,08 BBBB N

ATOM 4054 C ARG B 167 98. .509 52. .333 31. .903 1. ,00 42. ,05 BBBB C

ATOM 4055 O ARG B 167 97. .474 52. .891 31. .558 1. ,00 42. ,05 BBBB 0

ATOM 4056 N SER B 168 99. .347 52, .826 32. .810 1, .00 26. ,46 BBBB N

ATOM 4057 CA SER B 168 99. .136 54, .106 33. .467 1, .00 26. ,46 BBBB C

ATOM 4058 CB SER B 168 100. .261 54. .383 34. .484 1. .00 33. ,69 BBBB C

ATOM 4059 OG SER B 168 101. .480 54, .755 33. .851 1. .00 33, .69 BBBB O

ATOM 4060 C SER B 168 99. .114 55. .224 32. .410 1. .00 26. .46 BBBB C

ATOM 4061 O SER B 168 98. .355 56, .191 32. .522 1. .00 26. ,46 BBBB O

ATOM 4062 N LEU B 169 99. .953 55. .091 31. .389 1. .00 29. .86 BBBB N

ATOM 4063 CA LEU B 169 99. .999 56. .080 30. ,332 1. .00 29. .86 BBBB C

ATOM 4064 CB LEU B 169 101. .204 55, .832 29. .429 1. ,00 31. ,04 BBBB C

ATOM 4065 CG LEU B 169 102. ,354 56, .831 29. ,588 1. ,00 31. ,04 BBBB C

ATOM 4066 CD1 LEU B 169 102. ,413 57. .358 31. .000 1. ,00 31. ,04 BBBB C

ATOM 4067 CD2 LEU B 169 103, .654 56, .165 29. .215 1. .00 31. .04 BBBB C

ATOM 4068 C LEU B 169 98. ,714 56, .043 29. .527 1. .00 29. .86 BBBB C

ATOM 4069 O LEU B 169 98. .124 57. .082 29. .250 1. .00 29, ,86 BBBB O

ATOM 4070 N ALA B 170 98, .275 54, .843 29, .170 1. .00 40, .93 BBBB N

ATOM 4071 CA ALA B 170 97. .052 54, .681 28. .400 1, .00 40. .93 BBBB C

ATOM 4072 CB ALA B 170 96. .760 53, .203 28. .187 1. .00 32. .47 BBBB C

ATOM 4073 C ALA B 170 95, .893 55, .344 29, .137 1. .00 40, .93 BBBB C

ATOM 4074 O ALA B 170 95. .058 56, .026 28, .540 1. .00 40, .93 BBBB 0

ATOM 4075 N TYR B 171 95, .858 55, .140 30. .444 1. .00 40. .18 BBBB N

ATOM 4076 CA TYR B 171 94, .819 55 .695 31, .277 1, .00 40, .18 BBBB C

ATOM 4077 CB TYR B 171 94, .968 55, .154 32, ,703 1, .00 42, .25 BBBB C

ATOM 4078 CG TYR B 171 93, .943 55, .707 33, .662 1. .00 42. .25 BBBB C

ATOM 4079 CD1 TYR B 171 92, .594 55 .398 33, .518 1, .00 42, .25 BBBB C

ATOM 4080 CEl TYR B 171 91, .639 55 .932 34, .377 1, .00 42, .25 BBBB C

ATOM 4081 CD2 TYR B 171 94, .320 56 .568 34, ,691 1, .00 42, .25 BBBB C

ATOM 4082 CE2 TYR B 171 93 .381 57 .110 35, .554 1, .00 42, .25 BBBB C

ATOM 4083 CZ TYR B 171 92 .039 56 .785 35, .395 1, .00 42, .25 BBBB c

ATOM 4084 OH TYR B 171 91 .111 57 .286 36, .276 1, .00 42, .25 BBBB 0

ATOM 4085 C TYR B 171 94 .818 57 .232 31 .294 1 .00 40 .18 BBBB c

ATOM 4086 O TYR B 171 93 .815 57 .858 30 .945 1 .00 40 .18 BBBB 0

ATOM 4087 N ILE B 172 95 .927 57 .844 31, .701 1, .00 36, .67 BBBB N

ATOM 4088 CA ILE B 172 95 .976 59 .303 31 .754 1 .00 36 .67 BBBB C

ATOM 4089 CB ILE B 172 97 .287 59 .832 32 .391 1 .00 31 .11 BBBB C

ATOM 4090 CG2 ILE B 172 97 .390 59 .359 33 .846 1 .00 31 .11 BBBB C

ATOM 4091 CGI ILE B 172 98 .490 59 .378 31 .566 1 .00 31 .11 BBBB C ATOM 4092 CD1 ILE B 172 99.802 59.967 32.017 1.00 31.,11 BBBB C

ATOM 4093 C ILE B 172 95. 828 59. 923 30. 375 1. 00 36. ,67 BBBB C

ATOM 4094 O ILE B 172 95. 130 60. ,914 30. 210 1. 00 36. ,67 BBBB O

ATOM 4095 N HIS B 173 96. 488 59. ,345 29. ,379 1. 00 45. ,92 BBBB N

ATOM 4096 CA HIS B 173 96. ,396 59. ,870 28. ,032 1. ,00 45. ,92 BBBB C

ATOM 4097 CB HIS B 173 97. ,267 59. ,054 27. ,094 1. ,00 24. ,05 BBBB C

ATOM 4098 CG HIS B 173 98. ,736 59. .234 27. ,330 1. ,00 24. .05 BBBB C

ATOM 4099 CD2 HIS B 173 99. ,408 60. ,017 28. ,209 1. ,00 24. ,05 BBBB C

ATOM 4100 NDl HIS B 173 99. ,696 58. .564 26. .596 1. ,00 24. .05 BBBB N

ATOM 4101 CEl HIS B 173 100. .894 58. ,931 27. ,014 1, .00 24, .05 BBBB C

ATOM 4102 NE2 HIS B 173 100. .747 59. .810 27. .990 1, ,00 24, .05 BBBB N

ATOM 4103 C HIS B 173 94. ,959 59. ,861 27. ,544 1. ,00 45. .92 BBBB C

ATOM 4104 O HIS B 173 94, ,596 60. ,639 26. ,671 1. ,00 45. ,92 BBBB O

ATOM 4105 N SER B 174 94, .136 58. .989 28. .111 1. .00 45, .14 BBBB N

ATOM 4106 CA SER B 174 92. .740 58, .925 27, .711 1. .00 45, .14 BBBB C

ATOM 4107 CB SER B 174 92. .042 57, .723 28, ,350 1. .00 48, .82 BBBB C

ATOM 4108 OG SER B 174 91. .674 57. .988 29. ,687 1. .00 48, .82 BBBB O

ATOM 4109 C SER B 174 92, .018 60. ,216 28. ,087 1. .00 45. .14 BBBB C

ATOM 4110 O SER B 174 91. .066 60, .604 27, ,416 1. .00 45. .14 BBBB O

ATOM 4111 N PHE B 175 92. .458 60, .877 29. .157 1. .00 38, .15 BBBB N

ATOM 4112 CA PHE B 175 91. .862 62, .156 29. .574 1. .00 38, .15 BBBB C

ATOM 4113 CB PHE B 175 92. .000 62. ,384 31. .070 1. ,00 53. ,26 BBBB C

ATOM 4114 CG PHE B 175 91, .129 61. .521 31. .903 1. .00 53. .26 BBBB C

ATOM 4115 CD1 PHE B 175 91. ,651 60, .416 32. .555 1. ,00 53, ,26 BBBB C

ATOM 4116 CD2 PHE B 175 89. ,787 61, .834 32. .084 1. .00 53, .26 BBBB C

ATOM 4117 CEl PHE B 175 90, .847 59, .632 33. .388 1, .00 53, .26 BBBB C

ATOM 4118 CE2 PHE B 175 88, .975 61 .058 32. .915 1. .00 53, .26 BBBB C

ATOM 4119 CZ PHE B 175 89, .509 59 .956 33, .567 1. .00 53, .26 BBBB C

ATOM 4120 C PHE B 175 92, .612 63 .289 28, .892 1, .00 38. .15 BBBB C

ATOM 4121 O PHE B 175 92 .458 64 .454 29, .246 1, .00 38 .15 BBBB O

ATOM 4122 N GLY B 176 93 .444 62 .938 27 .923 1, .00 36 .24 BBBB N

ATOM 4123 CA GLY B 176 94 .223 63 .943 27 .237 1, .00 36 .24 BBBB C

ATOM 4124 C GLY B 176 95 .347 64 .462 28 .122 1, .00 36 .24 BBBB C

ATOM 4125 O GLY B 176 96 .005 65 .429 27 .766 1, .00 36 .24 BBBB O

ATOM 4126 N ILE B 177 95 .583 63 .827 29 .269 1, .00 35 .59 BBBB N

ATOM 4127 CA ILE B 177 96 .656 64 .267 30 .175 1 .00 35 .59 BBBB C

ATOM 4128 CB ILE B 177 96 .368 63 .880 31 .647 1 .00 31 .67 BBBB C

ATOM 4129 CG2 ILE B 177 97 .490 64 .396 32 .542 1 .00 31 .67 BBBB C

ATOM 4130 CGI ILE B 177 95 .018 64 .430 32 .093 1 .00 31 .67 BBBB C

ATOM 4131 CD1 ILE B 177 94 .639 64 .004 33 .488 1 .00 31 .67 BBBB C

ATOM 4132 C ILE B 177 98 .030 63 .672 29 .832 1 .00 35 .59 BBBB C

ATOM 4133 O ILE B 177 98 .171 62 .466 29 .689 1, .00 35 .59 BBBB O

Φ. Φ- Φ> φ> φ. Φ- Φ. Φ- Φ.

H H l -a cn cn cn en in Φ. t o vo oo LΠ

H H H fc fc fc fc fc fc fc fc ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi Ω Ω Ω Ω Ω X X tr* tr* tr¹ X cn cn cn cn cn cn cn CO to ≥to ≥to ≥to ≥to ≥to ≥to ≥to ≥to ≥to ≥to H Ki Ki Ki Ki K m CO CO to CO CO CO 13 13 13 13 13 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω cn cn cn cn cn cn cn cn CD cn cn CQ cn c to 03 to to 03 03 to to to to to to to to to to 03 03 03 to to to to 03 to to to to to to to to to to 03 to to to to to to t

H H¹ H H I-¹ I-¹ H¹ I-¹ H -> I-¹

03 00 CO 00 00 03 00 co 00 03 co oo oo oo 00 co ! to DO to CO H H¹ H H o o o o o o o o o o VD VD ID VD 00 00 03 CO co 0

H H H H H I-¹ H H¹ H l-¹ o o o o o o O O o o o o o o o o o o o o o o o o O o o O o o o o o o o o o o v

VO in cn 00 co 03 00 vo o co oo LO LΠ LΠ Φ- 00 φ. in in LO oo OJ to H to o o v

VD H o φ- 00 φ. in in o 00 o o cn in H VD Φ- in 0J φ. LO -0 φ. in VD 00 φ. VO o cn vo to in cn o LΠ LΠ in 03 cn -o vo vo 03 CO 03 vo LΠ 00 03 to 00 o VD H VD 03 to CO in vo oo cn H φ. to o cn H 10 VD DO CO O CΛ cn LΠ -a CO in v in in in in LΠ cn o. cn cn cn cn cn en CΛ en -J en cn CΛ σ. en cn CΛ en CΛ CΛ CΛ cn cn cn cn cn CΛ e vo 00 vo -J. vo o to φ- φ. m m H o vo 03 m Φ> m I-¹ O H 00 in φ- φ.

^•-a oo in 03 00 on o φ. --a -a vo H 0J cn 00 LΠ o to 00 H CΛ VD H LΠ oo o Lo 00 o in o o -J φ. CO 00 Lo 00 CO 00 m cn o to Φ- cn DO o o I-¹ CO cn cn oo o H CΛ φ- o o o vo LΠ o co CO H cn φ. Lπ LΠ Φ- vo o 00 00 oo in LΠ LO LΠ to H cn CΛ in cn -o 1 φ. -0 CΛ φ- vo vo to to OJ CO

LO 00 LO Lo LO 10 LO 00 LO 00 OJ OJ LO 00 0J 00 to CO CO 00 CO 00 CO CO LO LO 00 00 oo 00 00 CO to to to CO O H CO to φ. 00 CΛ φ- in 0J CO H o o VD VD o o o CO DO CΛ LΠ φ- in φ. to H o 00 VD

00 to to vo 03 cn in φ. in Φ» H 00 0J in LΠ Φ- CO in CΛ cn VD o H¹ CO to o cn o cn 03 o 03 00 00 φ. vo cn vo co oo 03 cn 00 in VD 00 VD φ- DO vo H o o φ- 0J on H 00 to o LΠ φ. VD CΛ in oo Φ. in cn in o 00 VD H oo VD o en o H¹ 00 00 00 in en 00

H H H l-> H H H M H H H H H H H¹ H H H H H H l-¹ H H H H H¹ H H H H H H H H H H H H H o o o o o O o o o o o o o o o o o o o o o o o O o o O o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o o O o o O o o o o o o o o o o o o o 0J 00 oo LO 00 oo OJ 00 oo LO 00 to to to oo 0J 00 CO DO OJ 00

Φ. φ- Φ- φ. Φ- -a -a φ. Φ- φ. vo VD Φ- φ. in in CO DO in in -J -~a to t

CΛ cn VD OJ φ. in in in in in in φ. H ~0 I-¹ cn

H vo vo vo o o in in in in o o VD o o o o o o o vo VD cn Φ- φ. φ- φ- CΛ cn 00 00 LO

03 03 D3 W 03 03 t0 03 03 t0 03 03 03 03 03 03 03 03 03 t0 03 03 03 03 03 03 03 ffl tO ro tu ra tO tO ro ra 03 03 03 03 03 03 tO 03 03 tO tO W ro 03 ffi 03 03 03 03 03 03 03 03 03 03 03 D3 03 03 ffi 03 03 03 03 ffi 03 03 03 ro 03 03 03 03 03 ω t O3 03 03 03 03 O3 -θ ω tO tU 03 D3 03 tfl ω ro 03 ω 03 O3 O3 tO tO t0 -U tθ ω 03 03 O3 03 03 03 ti. O3 O3 03 O3 O3 O3 O3 O3 O3 03 O3 03 O3 ffi O3 O3 O3 03 O3 O3 O3 O3 O3 03 O3 O3 O3 O3 ra

Ω Ω Ω Ω Ω Ω i2! d Ω O d Ω O Ω -3 d Ω S3 S3 Ω S3 Ω Ω Ω Ω S3 d Ω S3 Ω S3 Ω Ω Ω Ω S3 d Ω Cn Ω Ω ≥i

ATOM 4176 O ILE B 182 110,.678 59..874 31,.898 1..00 34..11 BBBB O

ATOM 4177 N LYS B 183 110, .359 59. .161 34, .023 1. .00 32. .07 BBBB N

ATOM 4178 CA LYS B 183 111, .704 58. ,669 34. .230 1. ,00 32, .07 BBBB C

ATOM 4179 CB LYS B 183 112, .644 59. ,817 34. .581 1. .00 41, .25 BBBB C

ATOM 4180 CG LYS B 183 112, .285 60. ,570 35, .848 1. .00 41. .25 BBBB C

ATOM 4181 CD LYS B 183 113, .297 61, .669 36, .087 1. .00 41. .25 BBBB C

ATOM 4182 CE LYS B 183 112, .907 62. .548 37, .248 1, .00 41, .25 BBBB C

ATOM 4183 NZ LYS B 183 113. .710 63. .804 37. .220 1, ,00 41. .25 BBBB N

ATOM 4184 C LYS B 183 Ill, .639 57. .642 35. .362 1. ,00 32. ,07 BBBB C

ATOM 4185 O LYS B 183 110, .657 57. .604 36, .112 1, , 00 32. .07 BBBB O

ATOM 4186 N PRO B 184 112, .679 56. .797 35, .500 1, , 00 26. .38 BBBB N

ATOM 4187 CD PRO B 184 113. .914 56. .760 34. .692 1, ,00 26. .52 BBBB C

ATOM 4188 CA PRO B 184 112, .728 55, .764 36, .535 1, .00 26. .38 BBBB C

ATOM 4189 CB PRO B 184 114, .152 55, .229 36, .410 1, .00 26, .52 BBBB C

ATOM 4190 CG PRO B 184 114. .418 55. ,364 34. .960 1, .00 26. ,52 BBBB C

ATOM 4191 C PRO B 184 112, .412 56. ,260 37. .931 1, .00 26. .38 BBBB C

ATOM 4192 O PRO B 184 111, .692 55. .617 38, .700 1. .00 26. .38 BBBB O

ATOM 4193 N GLN B 185 112, .949 57, .423 38, .247 1. .00 29. .27 BBBB N

ATOM 4194 CA GLN B 185 112, .757 58, .011 39, .555 1. .00 29, .27 BBBB C

ATOM 4195 CB GLN B 185 113, .548 59, .309 39, .630 1. .00 46. .72 BBBB C

ATOM 4196 CG GLN B 185 115. .018 59. .138 39. .256 1. .00 46. .72 BBBB C

ATOM 4197 CD GLN B 185 115. .278 59, ,196 37. .745 1. ,00 46. .72 BBBB C

ATOM 4198 OEl GLN B 185 114, .774 58, ,376 36, .980 1. ,00 46. .72 BBBB O

ATOM 4199 NE2 GLN B 185 116, .067 60, .177 37, .316 1. .00 46. .72 BBBB N

ATOM 4200 C GLN B 185 111, .281 58. .238 39, .897 1, ,00 29, .27 BBBB C

ATOM 4201 O GLN B 185 110, .910 58, .248 41, .059 1, .00 29, .27 BBBB O

ATOM 4202 N ASN B 186 110, .439 58, .379 38, .881 1. .00 34. .58 BBBB N

ATOM 4203 CA ASN B 186 109 .028 58, .619 39 .112 1, .00 34, .58 BBBB C

ATOM 4204 CB ASN B 186 108 .529 59, .734 38 .191 1, .00 26, .71 BBBB C

ATOM 4205 CG ASN B 186 109 .149 61, .066 38 .523 1, .00 26, .71 BBBB C

ATOM 4206 ODl ASN B 186 109 .448 61 .340 39 .677 1, .00 26 .71 BBBB 0

ATOM 4207 ND2 ASN B 186 109 .337 61 .904 37 .521 1, .00 26 .71 BBBB N

ATOM 4208 C ASN B 186 108 .137 57, ,397 38 .978 1, .00 34, .58 BBBB C

ATOM 4209 O ASN B 186 106 .921 57, .521 38 .787 1, .00 34, .58 BBBB O

ATOM 4210 N LEU B 187 108 .742 56, .222 39 .088 1, .00 38 .39 BBBB N

ATOM 4211 CA LEU B 187 108 .013 54 .964 39 .007 1, .00 38 .39 BBBB C

ATOM 4212 CB LEU B 187 108 .576 54 .114 37 .872 1 .00 32 .92 BBBB C

ATOM 4213 CG LEU B 187 108 .656 54 .750 36 .489 1 .00 32 .92 BBBB C

ATOM 4214 CD1 LEU B 187 109 .213 53, .729 35 .502 1, .00 32 .92 BBBB C

ATOM 4215 CD2 LEU B 187 107 .274 55 .212 36 .055 1 .00 32 .92 BBBB C

ATOM 4216 C LEU B 187 108 .161 54 .218 40 .340 1 .00 38 .39 BBBB C

ATOM 4217 O LEU B 187 109 .179 53, .568 40, .589 1, .00 38, .39 BBBB O ATOM 4218 N LEU B 188 107. 146 54 .324 41 . 192 1.,00 31..59 BBBB N

ATOM 4219 CA LEU B 188 107 . 156 53 . 681 42 . 509 1. ,00 31. .59 BBBB C

ATOM 4220 CB LEU B 188 106. 112 54 . 314 43 .427 1, .00 36, .41 BBBB C

ATOM 4221 CG LEU B 188 106 . 140 55 . 831 43 . 514 1. ,00 36, .41 BBBB C

ATOM 4222 CD1 LEU B 188 105 . 012 56 . 285 44.385 1. ,00 36, .41 BBBB C

ATOM 4223 CD2 LEU B 188 107.470 56.305 44.055 1. ,00 36. .41 BBBB C

ATOM 4224 C LEU B 188 106.868 52.199 42.423 1. ,00 31. ,59 BBBB C

ATOM 4225 O LEU B 188 106.110 51.754 41.568 1. 00 31, ,59 BBBB O

ATOM 4226 N LEU B 189 107.444 51.442 43.346 1, ,00 42. .44 BBBB N

ATOM 4227 CA LEU B 189 107.264 50.001 43.362 1. ,00 42. .44 BBBB C

ATOM 4228 CB LEU B 189 108.541 49.334 42.865 1. ,00 46, ,82 BBBB C

ATOM 4229 CG LEU B 189 108.658 48.850 41.419 1, .00 46, .82 BBBB C

ATOM 4230 CD1 LEU B 189 107.969 49.794 40.452 1. ,00 46. .82 BBBB C

ATOM 4231 CD2 LEU B 189 110.133 48.715 41.097 1. ,00 46. .82 BBBB C

ATOM 4232 C LEU B 189 106.925 49.423 44.727 1. .00 42, .44 BBBB C

ATOM 4233 O LEU B 189 107.354 49.938 45.757 1. .00 42, .44 BBBB O

ATOM 4234 N ASP B 190 106.127 48.362 44.729 1. .00 49, .57 BBBB N

ATOM 4235 CA ASP B 190 105.812 47.653 45.964 1, .00 49, .57 BBBB C

ATOM 4236 CB ASP B 190 104.344 47.233 46.020 1. .00 84. .75 BBBB C

ATOM 4237 CG ASP B 190 104.006 46.487 47.308 1. .00 84. .75 BBBB C

ATOM 4238 ODl ASP B 190 104.513 46.885 48.379 1. ,00 84, .75 BBBB O

ATOM 4239 OD2 ASP B 190 103.231 45.510 47.258 1, ,00 84, .75 BBBB O

ATOM 4240 C ASP B 190 106.724 46.424 45.834 1. ,00 49. .57 BBBB C

ATOM 4241 O ASP B 190 106.505 45.560 44.983 1, .00 49, .57 BBBB O

ATOM 4242 N PRO B 191 107.771 46.347 46.667 1, .00 67. .81 BBBB N

ATOM 4243 CD PRO B 191 107.906 47.144 47.900 1. ,00 65, .19 BBBB C

ATOM 4244 CA PRO B 191 108.745 45.249 46.659 1. ,00 67. .81 BBBB C

ATOM 4245 CB PRO B 191 109.635 45.572 47.853 1. .00 65, .19 BBBB C

ATOM 4246 CG PRO B 191 108.661 46.202 48.810 1, .00 65, .19 BBBB C

ATOM 4247 C PRO B 191 108.183 43.837 46.727 1. .00 67, .81 BBBB C

ATOM 4248 O PRO B 191 108.736 42.925 46.123 1. .00 67, .81 BBBB O

ATOM 4249 N ASP B 192 107.093 43.650 47.460 1, .00 59, .65 BBBB N

ATOM 4250 CA ASP B 192 106.517 42.320 47.570 1, .00 59, .65 BBBB C

ATOM 4251 CB ASP B 192 105.811 42.149 48.926 1, .00 74 .96 BBBB C

ATOM 4252 CG ASP B 192 106.733 42.418 50.117 1. .00 74, .96 BBBB C

ATOM 4253 ODl ASP B 192 107.880 41.899 50.149 1. .00 74, .96 BBBB O

ATOM 4254 OD2 ASP B 192 106.290 43.152 51.029 1, .00 74, .96 BBBB O

ATOM 4255 C ASP B 192 105.553 41.967 46.432 1, .00 59, .65 BBBB C

ATOM 4256 O ASP B 192 105.630 40.869 45.877 1, .00 59 .65 BBBB O

ATOM 4257 N THR B 193 104.655 42.881 46.069 1, .00 40 .48 BBBB N

ATOM 4258 CA THR B 193 103.689 42.597 45.005 1, .00 40 .48 BBBB C

ATOM 4259 CB THR B 193 102.394 43.370 45.218 1, ,00 58 .72 BBBB C ATOM 4260 OG1 THR B 193 102.,650 44.,771 45.,040 1.00 58.72 BBBB O

ATOM 4261 CG2 THR B 193 101, .844 43. ,106 46. ,609 1. ,00 58. ,72 BBBB C

ATOM 4262 C THR B 193 104. ,148 42. ,904 43. ,574 1. 00 40. ,48 BBBB C

ATOM 4263 O THR B 193 103. ,517 42. ,462 42, .610 1. ,00 40. .48 BBBB O

ATOM 4264 N ALA B 194 105. .222 43, ,670 43. .424 1. ,00 42. .70 BBBB N

ATOM 4265 CA ALA B 194 105. .707 43. .995 42. .087 1. ,00 42. ,70 BBBB C

ATOM 4266 CB ALA B 194 105. .777 42, .726 41, ,242 1. ,00 43. ,60 BBBB C

ATOM 4267 C ALA B 194 104, .808 45, .024 41, .400 1. ,00 42. .70 BBBB C

ATOM 4268 O ALA B 194 104, .872 45. ,217 40. .187 1. ,00 42. .70 BBBB 0

ATOM 4269 N VAL B 195 103, ,962 45, ,678 42. .178 1. ,00 37. .60 BBBB N

ATOM 4270 CA VAL B 195 103, .068 46. ,683 41. .632 1. ,00 37. .60 BBBB C

ATOM 4271 CB VAL B 195 101, .870 46. ,925 42. .574 1. ,00 31. .11 BBBB C

ATOM 4272 CGI VAL B 195 101, .083 48. ,153 42. .127 1. .00 31. .11 BBBB C

ATOM 4273 CG2 VAL B 195 100, .980 45. .714 42. .575 1. ,00 31, .11 BBBB C

ATOM 4274 C VAL B 195 103. .806 47, .997 41. .405 1. .00 37, .60 BBBB c

ATOM 4275 O VAL B 195 104. .568 48. .446 42. ,264 1. ,00 37. ,60 BBBB 0

ATOM 4276 N LEU B 196 103, .582 48, .597 40. .235 1. .00 34, .83 BBBB N

ATOM 4277 CA LEU B 196 104. .202 49, .867 39. .889 1, .00 34. .83 BBBB C

ATOM 4278 CB LEU B 196 104, .853 49, .783 38, .502 1. .00 27, .21 BBBB C

ATOM 4279 CG LEU B 196 105, .437 51. .080 37, .907 1. ,00 27. .21 BBBB C

ATOM 4280 GDI LEU B 196 106 .598 50, .752 37, .000 1, ,00 27, .21 BBBB C

ATOM 4281 CD2 LEU B 196 104. .361 51. .865 37. .157 1. .00 27. .21 BBBB c

ATOM 4282 C LEU B 196 103, .168 50, .991 39, .897 1. .00 34, .83 BBBB c

ATOM 4283 O LEU B 196 102, .026 50, .814 39. .453 1. .00 34, .83 BBBB 0

ATOM 4284 N LYS B 197 103 .569 52 .146 40, .413 1, .00 41 .85 BBBB N

ATOM 4285 CA LYS B 197 102 .690 53, .307 40, .435 1, .00 41, .85 BBBB C

ATOM 4286 CB LYS B 197 102 .139 53 .543 41 .834 1, .00 43 .16 BBBB C

ATOM 4287 CG LYS B 197 100 .907 52 .728 42, .119 1, .00 43 .16 BBBB C

ATOM 4288 CD LYS B 197 100 .556 52 .748 43 .586 1 .00 43 .16 BBBB C

ATOM 4289 CE LYS B 197 99 .459 51 .735 43 .868 1 .00 43 .16 BBBB C

ATOM 4290 NZ LYS B 197 99 .168 51 .627 45 .312 1 .00 43 .16 BBBB N

ATOM 4291 C LYS B 197 103 .416 54 .548 39 .945 1, . 00 41 .85 BBBB C

ATOM 4292 O LYS B 197 104 .458 54 .918 40 .480 1 .00 41 .85 BBBB O

ATOM 4293 N LEU B 198 102 .872 55 .158 38 .896 1 .00 32 .02 BBBB N

ATOM 4294 CA LEU B 198 103 .428 56 .374 38 .320 1, .00 32 .02 BBBB C

ATOM 4295 CB LEU B 198 102 .822 56 .626 36 .940 1 .00 27 .26 BBBB C

ATOM 4296 CG LEU B 198 103 .079 57 .987 36 .298 1 . 00 27 .26 BBBB C

ATOM 4297 CD1 LEU B 198 104 .539 58 .149 35 .960 1 .00 27 .26 BBBB C

ATOM 4298 CD2 LEU B 198 102 .244 58 .104 35 .057 1 .00 27 .26 BBBB C

ATOM 4299 C LEU B 198 103 .070 57 .529 39 .253 1 .00 32 .02 BBBB C

ATOM 4300 O LEU B 198 101 .907 57 .699 39 .616 1 .00 32 .02 BBBB O

ATOM 4301 N CYS B 199 104 .074 58 .308 39 .643 1 .00 32 .26 BBBB N ATOM 4302 CA CYS B 199 103.859 59.433 40.538 1.00 32.26 BBBB C

ATOM 4303 CB CYS B 199 104.447 59.130 41.920 1.00 46.76 BBBB C

ATOM 4304 SG CYS B 199 106.255 59.078 41.927 1.00 46.76 BBBB S

ATOM 4305 C CYS B 199 104, 496 60.707 39.992 1.00 32.26 BBBB C

ATOM 4306 O CYS B 199 105.102 60.704 38.919 1.00 32.26 BBBB O

ATOM 4307 N ASP B 200 104.350 61.788 40.752 1.00 40.86 BBBB N

ATOM 4308 CA ASP B 200 104, 890 63.101 40.404 1.00 40.86 BBBB C

ATOM 4309 CB ASP B 200 106.393 63.036 40.180 1.00 62.16 BBBB C

ATOM 4310 CG ASP B 200 107.024 64.403 40.219 1.00 62.16 BBBB C

ATOM 4311 ODl ASP B 200 107.572 64.768 41.277 1.00 62.16 BBBB O

ATOM 4312 OD2 ASP B 200 106.948 65.125 39.205 1.00 62.16 BBBB O

ATOM 4313 C ASP B 200 104.272 63.792 39.193 1.00 40.86 BBBB C

ATOM 4314 O ASP B 200 104.879 63.843 38.128 1.00 40.86 BBBB O

ATOM 4315 N PHE B 201 103.081 64.349 39.363 1.00 33.02 BBBB N

ATOM 4316 CA PHE B 201 102, 417 65.031 38.270 1.00 33.02 BBBB C

ATOM 4317 CB PHE B 201 100.928 64.704 38.304 1.00 31.42 BBBB C

ATOM 4318 CG PHE B 201 100.629 63.280 37.942 1.00 31.42 BBBB C

ATOM 4319 GDI PHE B 201 101.014 62.239 38.785 1.00 31.42 BBBB C

ATOM 4320 CD2 PHE B 201 100.018 62.968 36.734 1.00 31.42 BBBB C

ATOM 4321 CEl PHE B 201 100, 800 60.899 38.424 1.00 31.42 BBBB C

ATOM 4322 CE2 PHE B 201 99.800 61.645 36.371 1.00 31.42 BBBB C

ATOM 4323 CZ PHE B 201 100.198 60.604 37.226 1.00 31.42 BBBB C

ATOM 4324 C PHE B 201 102.653 66.542 38.235 1.00 33.02 BBBB C

ATOM 4325 O PHE B 201 101.906 67.277 37.608 1.00 33.02 BBBB O

ATOM 4326 N GLY B 202 103.724 66.992 38.878 1.00 36.20 BBBB N

ATOM 4327 CA GLY B 202 104.036 68.411 38.899 1.00 36.20 BBBB C

ATOM 4328 C GLY B 202 104.360 69.040 37.549 1.00 36.20 BBBB C

ATOM 4329 O GLY B 202 104.583 70.241 37.466 1.00 36.20 BBBB O

ATOM 4330 N SER B 203 104.382 68.237 36.494 1.00 24.30 BBBB N

ATOM 4331 CA SER B 203 104.673 68.727 35.157 1.00 24.30 BBBB C

ATOM 4332 CB SER B 203 106.026 68.193 34.670 1.00 44.48 BBBB C

ATOM 4333 OG SER B 203 107.098 68.677 35.460 1.00 44.48 BBBB O

ATOM 4334 C SER B 203 103.579 68.260 34.196 1.00 24.30 BBBB C

ATOM 4335 O SER B 203 103.626 68.538 33.001 1.00 24.30 BBBB O

ATOM 4336 N ALA B 204 102.605 67.532 34.723 1.00 37.12 BBBB N

ATOM 4337 CA ALA B 204 101.533 67.041 33.881 1.00 37.12 BBBB C

ATOM 4338 CB ALA B 204 100.660 66.062 34.651 1.00 25.40 BBBB C

ATOM 4339 C ALA B 204 100.694 68.215 33.390 1.00 37.12 BBBB C

ATOM 4340 O ALA B 204 100.584 69.245 34.056 1.00 37.12 BBBB O

ATOM 4341 N LYS B 205 100.107 68.058 32.215 1.00 38.23 BBBB N

ATOM 4342 CA LYS B 205 99.273 69.096 31.670 1.00 38.23 BBBB C

ATOM 4343 CB LYS B 205 100.102 70.064 30.836 1.00 34.12 BBBB C ATOM 4344 CG LYS B 205 99..285 71.213 30.262 1.00 34..12 BBBB C

ATOM 4345 CD LYS B 205 100. 194 72. 210 29. 573 1. 00 34. 12 BBBB C

ATOM 4346 CE LYS B 205 99 . ,419 73. 309 28. 878 1. 00 34. 12 BBBB C

ATOM 4347 NZ LYS B 205 100. 365 74. 350 28. 412 1. 00 34. 12 BBBB N

ATOM 4348 C LYS B 205 98. 170 68. 509 30. 815 1. 00 38. 23 BBBB C

ATOM 4349 O LYS B 205 98. 414 67. 632 29. 980 1. 00 38. 23 BBBB O

ATOM 4350 N ALA B 206 96. ,945 68. ,972 31. .047 1. ,00 48. ,51 BBBB N

ATOM 4351 CA ALA B 206 95. ,822 68. ,515 30. 249 1. ,00 48. ,51 BBBB C

ATOM 4352 CB ALA B 206 94. ,512 69. ,008 30. ,837 1. ,00 49. ,89 BBBB c

ATOM 4353 C ALA B 206 96. ,091 69. ,175 28. ,905 1. ,00 48. ,51 BBBB c

ATOM 4354 O ALA B 206 96. .006 70. .391 28. .773 1, ,00 48. .51 BBBB 0

ATOM 4355 N LEU B 207 96. ,462 68. ,368 27. ,921 1. ,00 46. .22 BBBB N

ATOM 4356 CA LEU B 207 96, ,770 68, .869 26. .587 1. ,00 46. .22 BBBB C

ATOM 4357 CB LEU B 207 97. .581 67, ,828 25. ,814 1. ,00 43. ,64 BBBB c

ATOM 4358 CG LEU B 207 99. .096 68. ,044 25. ,753 1, .00 43. .64 BBBB c

ATOM 4359 CD1 LEU B 207 99. ,619 68. ,643 27. .059 1, ,00 43. .64 BBBB c

ATOM 4360 CD2 LEU B 207 99. .772 66, .716 25, .440 1. ,00 43, .64 BBBB c

ATOM 4361 C LEU B 207 95. .551 69. .260 25, .767 1. .00 46. .22 BBBB c

ATOM 4362 O LEU B 207 94, .594 68. .493 25. ,638 1. .00 46. ,22 BBBB 0

ATOM 4363 N VAL B 208 95. .591 70. ,471 25, ,229 1. , 00 39. .28 BBBB N

ATOM 4364 CA VAL B 208 94, .513 70. .968 24, .391 1, .00 39. .28 BBBB C

ATOM 4365 CB VAL B 208 93, .740 72. .100 25. ,061 1. .00 40, .07 BBBB C

ATOM 4366 CGI VAL B 208 92, .636 72, .572 24. .126 1, .00 40, .07 BBBB C

ATOM 4367 CG2 VAL B 208 93, .156 71, .614 26, .378 1, .00 40, .07 BBBB c

ATOM 4368 C VAL B 208 95 .113 71, .468 23, .086 1, .00 39, .28 BBBB c

ATOM 4369 O VAL B 208 96, .029 72, .271 23, .078 1, .00 39, .28 BBBB 0

ATOM 4370 N ARG B 209 94 .579 70 .983 21. .980 1, .00 47 .93 BBBB N

ATOM 4371 CA ARG B 209 95 .068 71 .327 20 .654 1 .00 47 .93 BBBB C

ATOM 4372 CB ARG B 209 94 .307 70 .507 19 .624 1 .00 85 .68 BBBB C

ATOM 4373 CG ARG B 209 94 .163 69 .029 20 .052 1 .00 85 .68 BBBB C

ATOM 4374 CD ARG B 209 93 .496 68 .788 21 .440 1 .00 85 .68 BBBB c

ATOM 4375 NE ARG B 209 92 .239 68 .089 21 .354 1 .00 85 .68 BBBB N

ATOM 4376 CZ ARG B 209 91 .361 68 .147 22 .329 1 .00 85 .68 BBBB C

ATOM 4377 NHl ARG B 209 91 .650 68 .823 23 .404 1 .00 85 .68 BBBB N

ATOM 4378 NH2 ARG B 209 90 .165 67 .626 22 .201 1 .00 85 .68 BBBB N

ATOM 4379 C ARG B 209 94 .941 72 .795 20 .342 1 .00 47 .93 BBBB C

ATOM 4380 O ARG B 209 93 .935 73 .431 20 .663 1 .00 47 .93 BBBB O

ATOM 4381 N GLY B 210 95 .959 73 .335 19 .693 1 .00 55 .89 BBBB N

ATOM 4382 CA GLY B 210 95 .929 74 .745 19 .369 1 .00 55 .89 BBBB C

ATOM 4383 C GLY B 210 96 .623 75 .536 20 .457 1 .00 55 .89 BBBB C

ATOM 4384 O GLY B 210 97 .345 76 .482 20 .162 1 .00 55 .89 BBBB O

ATOM 4385 N GLU B 211 96 .408 75 .145 21 .713 1 .00 60 .91 BBBB N ATOM 4386 CA GLU B 211 97..034 75..808 22.,854 1.,00 60,.91 BBBB C

ATOM 4387 CB GLU B 211 96, .197 75. .545 24. .115 1. .00 70, .37 BBBB C

ATOM 4388 CG GLU B 211 94, .798 76, .152 24, .009 1, .00 70, .37 BBBB C

ATOM 4389 CD GLU B 211 93. .856 75. .783 25. ,155 1. ,00 70. .37 BBBB C

ATOM 4390 OEl GLU B 211 94, .327 75, .609 26. .299 1. ,00 70, .37 BBBB O

ATOM 4391 OE2 GLU B 211 92, .629 75, .691 24, .911 1. .00 70, .37 BBBB O

ATOM 4392 C GLU B 211 98, .484 75, .314 23. .016 1. .00 60, .91 BBBB C

ATOM 4393 O GLU B 211 98, .730 74, .157 23, .342 1. ,00 60, .91 BBBB O

ATOM 4394 N PRO B 212 99, .463 76. .199 22. .778 1. ,00 48. .36 BBBB N

ATOM 4395 CD PRO B 212 99, ,270 77, .650 22, .604 1. ,00 29, .59 BBBB C

ATOM 4396 CA PRO B 212 100, .892 75, .879 22, .883 1, .00 48, .36 BBBB C

ATOM 4397 CB PRO B 212 101. .570 77. ,218 22. ,596 1. ,00 29. .59 BBBB C

ATOM 4398 CG PRO B 212 100. .583 78. .210 23. ,119 1, .00 29. .59 BBBB C

ATOM 4399 C PRO B 212 101, .353 75, .280 24. .208 1. ,00 48, .36 BBBB C

ATOM 4400 O PRO B 212 100, .748 75. .507 25. ,260 1, ,00 48. .36 BBBB O

ATOM 4401 N ASN B 213 102, .443 74. .520 24. .129 1, .00 37. .76 BBBB N

ATOM 4402 CA ASN B 213 103, .049 73, ,866 25, .274 1. ,00 37, .76 BBBB C

ATOM 4403 CB ASN B 213 102, .821 72. .365 25. .189 1. .00 43, .30 BBBB C

ATOM 4404 CG ASN B 213 101, .356 72, .004 25. .048 1. ,00 43, .30 BBBB C

ATOM 4405 ODl ASN B 213 100. .539 72, .306 25. .924 1. .00 43, .30 BBBB O

ATOM 4406 ND2 ASN B 213 101, .014 71, .349 23. .940 1. ,00 43, .30 BBBB N

ATOM 4407 C ASN B 213 104, .550 74, .162 25. .290 1. ,00 37, .76 BBBB C

ATOM 4408 O ASN B 213 105, .204 74. .219 24. .246 1. ,00 37, .76 BBBB O

ATOM 4409 N VAL B 214 105, .088 74, .350 26, .485 1, .00 31, .46 BBBB N

ATOM 4410 CA VAL B 214 106, .495 74, .659 26, ,669 1. .00 31, .46 BBBB C

ATOM 4411 CB VAL B 214 106, .739 74. .911 28. .181 1, .00 20, .41 BBBB C

ATOM 4412 CGI VAL B 214 106, .489 73, .611 28, .983 1. .00 20, .41 BBBB C

ATOM 4413 CG2 VAL B 214 108 .112 75, .468 28, .415 1. .00 20 .41 BBBB C

ATOM 4414 C VAL B 214 107, .449 73, .569 26, .106 1. .00 31, .46 BBBB C

ATOM 4415 O VAL B 214 107, .198 72, .366 26, .230 1. .00 31, .46 BBBB O

ATOM 4416 N SER B 215 108, .538 73, .991 25, .473 1. .00 43, .55 BBBB N

ATOM 4417 CA SER B 215 109. .491 73, .040 24, .916 1. .00 43 .55 BBBB C

ATOM 4418 CB SER B 215 110 .349 73 .701 23, ,835 1, .00 43 .17 BBBB C

ATOM 4419 OG SER B 215 109. .587 73, .958 22, ,675 1, .00 43. .17 BBBB O

ATOM 4420 C SER B 215 110 .408 72 .444 25, .975 1, .00 43 .55 BBBB C

ATOM 4421 O SER B 215 110 .490 71 .226 26, .117 1, ,00 43 .55 BBBB O

ATOM 4422 N PTR B 216 111 .118 73 .295 26, .705 1, .00 38 .92 BBBB N

ATOM 4423 CA PTR B 216 112 .010 72 .784 27, .729 1, .00 38 .92 BBBB C

ATOM 4424 CB PTR B 216 112 .785 73 .912 28, .390 1, .00 41 .37 BBBB C

ATOM 4425 CG PTR B 216 114 .079 73 .452 29 .017 1, .00 41 .37 BBBB C

ATOM 4426 CD1 PTR B 216 115 .154 73 .024 28. .222 1, .00 41 .37 BBBB C

ATOM 4427 CEl PTR B 216 116 .351 72 .602 28, .801 1, .00 41 .37 BBBB C ATOM 4428 CD2 PTR B 216 114.,239 73,.439 30.,401 1.,00 41.,37 BBBB C

ATOM 4429 CE2 PTR B 216 115. ,431 73, ,018 30. ,982 1. ,00 41. ,37 BBBB C

ATOM 4430 CZ PTR B 216 116. ,481 72, ,606 30, ,183 1. ,00 41. ,37 BBBB C

ATOM 4431 OH PTR B 216 117, ,701 72. .221 30, .774 1. ,00 41, .37 BBBB O

ATOM 4432 P PTR B 216 117. .908 70. .720 31. .155 1, .00 41, .37 BBBB P

ATOM 4433 OIP PTR B 216 118. .672 70, .078 30. .028 1, .00 41, ,37 BBBB 0

ATOM 4434 02P PTR B 216 118. ,778 70, .702 32. .367 1, ,00 41. ,37 BBBB 0

ATOM 4435 03P PTR B 216 116. ,611 70. .064 31. .435 1, ,00 41. .37 BBBB 0

ATOM 4436 C PTR B 216 111. ,138 72. .065 28, .750 1. .00 38, .92 BBBB c

ATOM 4437 O PTR B 216 110. ,494 72. .680 29. .598 1. ,00 38. .92 BBBB 0

ATOM 4438 N ILE B 217 111. ,108 70, .745 28. .652 1, ,00 36. .31 BBBB N

ATOM 4439 CA ILE B 217 110. ,271 69. .958 29. .542 1. .00 36. .31 BBBB C

ATOM 4440 CB ILE B 217 108. ,798 69, .949 29. .016 1, .00 33, .34 BBBB C

ATOM 4441 CG2 ILE B 217 108. ,697 69, .159 27, .721 1, .00 33. .34 BBBB C

ATOM 4442 CGI ILE B 217 107. .864 69. .339 30. .062 1. .00 33. .34 BBBB C

ATOM 4443 CD1 ILE B 217 107. .705 70. .175 31, .315 1. .00 33, .34 BBBB c

ATOM 4444 C ILE B 217 110. .828 68. .549 29, ,649 1. .00 36. ,31 BBBB c

ATOM 4445 O ILE B 217 111. .606 68. .114 28. .794 1. . 00 36. .31 BBBB 0

ATOM 4446 N CYS B 218 110. .413 67. .843 30. .690 1. .00 34. .62 BBBB N

ATOM 4447 CA CYS B 218 110. .889 66. .491 30. .947 1. .00 34. .62 BBBB C

ATOM 4448 CB CYS B 218 110. .858 65, .576 29, .709 1, .00 69, .85 BBBB C

ATOM 4449 SG CYS B 218 109, .320 65, .357 28, .798 1, .00 69, .85 BBBB S

ATOM 4450 C CYS B 218 112, .352 66, .553 31. .343 1. .00 34. .62 BBBB C

ATOM 4451 O CYS B 218 113, .065 67, .516 31, .031 1, .00 34, .62 BBBB 0

ATOM 4452 N SER B 219 112, .801 65, .487 31, .990 1, .00 35, .36 BBBB N

ATOM 4453 CA SER B 219 114, .188 65, .353 32, .389 1, .00 35, .36 BBBB C

ATOM 4454 CB SER B 219 114, .302 64, .194 33, .378 1. .00 45, .98 BBBB C

ATOM 4455 OG SER B 219 115, .616 64, .084 33, .899 1. .00 45, .98 BBBB O

ATOM 4456 C SER B 219 115 .012 65, .075 31, .119 1, .00 35 .36 BBBB c

ATOM 4457 O SER B 219 114 .669 64, .189 30, .347 1, .00 35 .36 BBBB 0

ATOM 4458 N ARG B 220 116, .093 65, .826 30, .921 1. .00 37, .26 BBBB N

ATOM 4459 CA ARG B 220 116 .974 65, .684 29, .764 1, .00 37 .26 BBBB C

ATOM 4460 CB ARG B 220 118 .330 66 . .272 30, .122 1, .00 46 .39 BBBB c

ATOM 4461 CG ARG B 220 119 .201 66 .584 28, .921 1, .00 46 .39 BBBB c

ATOM 4462 CD ARG B 220 120 .597 66 .989 29, .357 1, .00 46 .39 BBBB c

ATOM 4463 NE ARG B 220 120 .611 68, .100 30, .305 1, .00 46 .39 BBBB N

ATOM 4464 CZ ARG B 220 121 .607 68 .328 31 .154 1 .00 46 .39 BBBB C

ATOM 4465 NHl ARG B 220 122 .662 67 .525 31 .170 1 .00 46 .39 BBBB N

ATOM 4466 NH2 ARG B 220 121 .545 69 .345 32 .005 1, .00 46 .39 BBBB N

ATOM 4467 C ARG B 220 117 .187 64 .290 29 .115 1 .00 37 .26 BBBB C

ATOM 4468 O ARG B 220 116 .898 64 .092 27 .931 1 .00 37 .26 BBBB O

ATOM 4469 N TYR B 221 117 .703 63 .328 29 .864 1 .00 36 .25 BBBB N ATOM 4470 CA TYR B 221 117,.948 62,.007 29,.284 1..00 36,.25 BBBB C

ATOM 4471 CB TYR B 221 118, .548 61, .067 30, .328 1. .00 39, .98 BBBB C

ATOM 4472 CG TYR B 221 119, ,872 61, .500 30, .910 1. .00 39, .98 BBBB C

ATOM 4473 CD1 TYR B 221 120, .370 60, .895 32, .066 1. ,00 39. .98 BBBB C

ATOM 4474 CEl TYR B 221 121, .588 61, .286 32, .616 1, .00 39, .98 BBBB C

ATOM 4475 CD2 TYR B 221 120 .632 62 .508 30, .315 1, .00 39, .98 BBBB C

ATOM 4476 CE2 TYR B 221 121, .852 62, .901 30. .857 1. .00 39, .98 BBBB C

ATOM 4477 CZ TYR B 221 122, .320 62, ,284 32. .007 1. ,00 39. ,98 BBBB C

ATOM 4478 OH TYR B 221 123, .526 62, .659 32. .541 1. ,00 39. .98 BBBB O

ATOM 4479 C TYR B 221 116, .701 61, .350 28. .703 1. .00 36. .25 BBBB C

ATOM 4480 0 TYR B 221 116, .797 60, .455 27, .877 1, .00 36, .25 BBBB O

ATOM 4481 N TYR B 222 115, .534 61, .812 29. .126 1. ,00 28. .96 BBBB N

ATOM 4482 CA TYR B 222 114, .272 61, .254 28, .678 1. .00 28, .96 BBBB C

ATOM 4483 CB TYR B 222 113, .453 60, .870 29, .904 1, .00 30, .93 BBBB C

ATOM 4484 CG TYR B 222 114, .269 60, .055 30. .872 1. .00 30. .93 BBBB C

ATOM 4485 CD1 TYR B 222 115. .123 60. .679 31. .791 1. .00 30. .93 BBBB C

ATOM 4486 CEl TYR B 222 115. .986 59, .941 32. .583 1, .00 30, .93 BBBB C

ATOM 4487 CD2 TYR B 222 114, .299 58, .662 30, .783 1, ,00 30. .93 BBBB C

ATOM 4488 CE2 TYR B 222 115, .150 57, .918 31, .564 1, .00 30, .93 BBBB C

ATOM 4489 CZ TYR B 222 115, .991 58 .562 32, .463 1. .00 30, .93 BBBB C

ATOM 4490 OH TYR B 222 116, .820 57, ,817 33, .257 1. .00 30, .93 BBBB O

ATOM 4491 C TYR B 222 113, ,471 62, .182 27, .778 1. .00 28, .96 BBBB C

ATOM 4492 O TYR B 222 112. .356 61. .854 27, .384 1, .00 28. .96 BBBB O

ATOM 4493 N ARG B 223 114, .055 63, ,324 27. .439 1. .00 30, .03 BBBB N

ATOM 4494 CA ARG B 223 113, ,397 64, .331 26, .608 1. .00 30. .03 BBBB C

ATOM 4495 CB ARG B 223 114. ,176 65, .641 26. .742 1. .00 30. .87 BBBB C

ATOM 4496 CG ARG B 223 113, .613 66, .843 25. .981 1. .00 30, .87 BBBB C

ATOM 4497 CD ARG B 223 114, .357 68, .084 26, .422 1. .00 30, .87 BBBB C

ATOM 4498 NE ARG B 223 114, .295 68 .202 27, .875 1. .00 30, .87 BBBB N

ATOM 4499 CZ ARG B 223 115, .253 68, .711 28. .640 1. .00 30, .87 BBBB C

ATOM 4500 NHl ARG B 223 116, .377 69. .169 28. .109 1. .00 30. .87 BBBB N

ATOM 4501 NH2 ARG B 223 115, .088 68, .736 29. .949 1, .00 30. .87 BBBB N

ATOM 4502 C ARG B 223 113, ,257 63, .933 25, .138 1. .00 30, .03 BBBB C

ATOM 4503 O ARG B 223 114, .251 63, .757 24, .453 1, .00 30, .03 BBBB O

ATOM 4504 N ALA B 224 112, .025 63, .806 24, .650 1, .00 32, .04 BBBB N

ATOM 4505 CA ALA B 224 111, .786 63, .423 23, .252 1, .00 32, .04 BBBB C

ATOM 4506 CB ALA B 224 110 .297 63 .345 22 .985 1, .00 31. .02 BBBB C

ATOM 4507 C ALA B 224 112, .450 64, .405 22, .274 1, .00 32. .04 BBBB C

ATOM 4508 0 ALA B 224 112, .675 65, .558 22. .622 1. .00 32. .04 BBBB O

ATOM 4509 N PRO B 225 112, ,747 63, .961 21, .029 1. .00 34, .27 BBBB N

ATOM 4510 CD PRO B 225 112, .324 62, .686 20, .429 1, .00 30, .80 BBBB C

ATOM 4511 CA PRO B 225 113, .392 64 .804 20 .014 1. .00 34, .27 BBBB C ATOM 4512 CB PRO B 225 113..562 63,,861 18,.815 1.,00 30..80 BBBB C

ATOM 4513 CG PRO B 225 113. ,348 62. ,502 19. ,372 1. ,00 30. ,80 BBBB C

ATOM 4514 C PRO B 225 112. ,645 66. ,083 19. ,612 1. ,00 34. .27 BBBB C

ATOM 4515 O PRO B 225 113. .270 67, ,131 19. ,452 1, ,00 34, ,27 BBBB O

ATOM 4516 N GLU B 226 111. ,327 65, ,998 19. ,431 1. ,00 34. .70 BBBB N

ATOM 4517 CA GLU B 226 110. ,568 67. ,175 19. ,032 1. ,00 34. ,70 BBBB C

ATOM 4518 CB GLU B 226 109. .085 66. ,835 18. ,795 1, .00 37. ,64 BBBB c

ATOM 4519 CG GLU B 226 108. ,385 66. ,150 19. .945 1, .00 37, ,64 BBBB c

ATOM 4520 CD GLU B 226 108. .570 64. .642 19. .949 1. .00 37. .64 BBBB c

ATOM 4521 OEl GLU B 226 109, .680 64. ,162 19. ,618 1. .00 37, ,64 BBBB 0

ATOM 4522 OE2 GLU B 226 107, .598 63. ,944 20. ,308 1, .00 37. ,64 BBBB 0

ATOM 4523 C GLU B 226 110, .711 68. .280 20. .067 1, .00 34, .70 BBBB c

ATOM 4524 O GLU B 226 110, .765 69, .456 19, .723 1, .00 34, .70 BBBB 0

ATOM 4525 N LEU B 227 110. .794 67. .898 21, .336 1. .00 35, .87 BBBB N

ATOM 4526 CA LEU B 227 110. .958 68. .876 22. .395 1. .00 35, .87 BBBB C

ATOM 4527 CB LEU B 227 110, .910 68. .192 23. .763 1, .00 38, .99 BBBB C

ATOM 4528 CG LEU B 227 109. .575 67. .551 24. .148 1. .00 38. .99 BBBB C

ATOM 4529 CD1 LEU B 227 109. .694 66. .885 25. .496 1. .00 38. .99 BBBB c

ATOM 4530 CD2 LEU B 227 108, .493 68. .598 24. .186 1. .00 38, .99 BBBB c

ATOM 4531 C LEU B 227 112, .283 69, .612 22, .227 1, .00 35, .87 BBBB c

ATOM 4532 O LEU B 227 112, .363 70. .818 22. .433 1. .00 35, .87 BBBB 0

ATOM 4533 N ILE B 228 113, .316 68. .872 21. .846 1, .00 37, .97 BBBB N

ATOM 4534 CA ILE B 228 114, .657 69, .408 21, .645 1, .00 37, .97 BBBB C

ATOM 4535 CB ILE B 228 115 .664 68, ,256 21, .480 1, .00 38. .56 BBBB C

ATOM 4536 CG2 ILE B 228 117, .072 68. .807 21, .319 1. .00 38, .56 BBBB C

ATOM 4537 CGI ILE B 228 115, .540 67. .303 22, .671 1, .00 38, .56 BBBB C

ATOM 4538 CD1 ILE B 228 116 .691 66, .370 22, ,834 1, .00 38, .56 BBBB c

ATOM 4539 C ILE B 228 114 .705 70, .288 20, .400 1, .00 37 .97 BBBB c

ATOM 4540 O ILE B 228 115, .606 71, .120 20, ,245 1. .00 37, .97 BBBB 0

ATOM 4541 N PHE B 229 113 .731 70, .087 19, ,514 1, .00 58, .89 BBBB N

ATOM 4542 CA PHE B 229 113 .625 70, .853 18, .282 1, .00 58 .89 BBBB c

ATOM 4543 CB PHE B 229 113 .123 69, .975 17, .124 1, .00 41 .80 BBBB c

ATOM 4544 CG PHE B 229 114 .226 69 , .331 16, ,329 1. .00 41, .80 BBBB c

ATOM 4545 GDI PHE B 229 114 .712 68, .068 16, .668 1, .00 41. .80 BBBB c

ATOM 4546 CD2 PHE B 229 114 .810 70, .007 15 .261 1, .00 41 .80 BBBB c

ATOM 4547 CEl PHE B 229 115 .769 67, .492 15, .951 1, .00 41, .80 BBBB c

ATOM 4548 CE2 PHE B 229 115 .866 69, .439 14, .543 1, .00 41. .80 BBBB c

ATOM 4549 CZ PHE B 229 116 .344 68 .180 14 .890 1, .00 41 .80 BBBB c

ATOM 4550 C PHE B 229 112 .695 72 .043 18 .449 1, .00 58 .89 BBBB c

ATOM 4551 O PHE B 229 112 .310 72 .676 17 .459 1, .00 58. .89 BBBB 0

ATOM 4552 N GLY B 230 112 .320 72 .334 19 .694 1, .00 30 .36 BBBB N

ATOM 4553 CA GLY B 230 111 .464 73 .477 19 .948 1 .00 30 .36 BBBB c ATOM 4554 C GLY B 230 109,.987 73.,302 19.,689 1.,00 30..36 BBBB C

ATOM 4555 O GLY B 230 109, ,223 74. ,268 19. ,750 1. ,00 30. ,36 BBBB O

ATOM 4556 N ALA B 231 109. .558 72. .086 19. ,391 1. ,00 37. ,82 BBBB N

ATOM 4557 CA ALA B 231 108. ,138 71. .877 19. ,174 1. ,00 37. ,82 BBBB C

ATOM 4558 CB ALA B 231 107. .839 70. ,413 19. .013 1. ,00 26. .31 BBBB C

ATOM 4559 C ALA B 231 107, .384 72, .424 20. .382 1. ,00 37, .82 BBBB C

ATOM 4560 O ALA B 231 107, .829 72. .306 21. .528 1, ,00 37. .82 BBBB O

ATOM 4561 N THR B 232 106, .241 73, .033 20, .115 1. ,00 35, .92 BBBB N

ATOM 4562 CA THR B 232 105, .408 73. .577 21, .172 1. .00 35. .92 BBBB C

ATOM 4563 CB THR B 232 105, .388 75, .124 21. .137 1. ,00 34, .59 BBBB C

ATOM 4564 OG1 THR B 232 105, .003 75, .574 19, .830 1. ,00 34. .59 BBBB O

ATOM 4565 CG2 THR B 232 106. .755 75. .675 21. .475 1. .00 34. .59 BBBB C

ATOM 4566 C THR B 232 104, .006 73, .042 20. .940 1. .00 35. .92 BBBB C

ATOM 4567 O THR B 232 103. .058 73, .403 21, .635 1. ,00 35, .92 BBBB O

ATOM 4568 N ASP B 233 103. .898 72, .157 19. .957 1, ,00 39. .86 BBBB N

ATOM 4569 CA ASP B 233 102, .625 71, .551 19. .590 1, ,00 39, .86 BBBB C

ATOM 4570 CB ASP B 233 102, .258 71, .980 18, .178 1. .00 48, .30 BBBB C

ATOM 4571 CG ASP B 233 103, ,233 71, .453 17, .147 1. .00 48, .30 BBBB C

ATOM 4572 ODl ASP B 233 104 .464 71, .553 17, .377 1, ,00 48, .30 BBBB O

ATOM 4573 OD2 ASP B 233 102, .773 70, .942 16. .100 1. .00 48, .30 BBBB O

ATOM 4574 C ASP B 233 102, .713 70, .025 19, .651 1, .00 39, .86 BBBB c

ATOM 4575 O ASP B 233 102. .042 69 . .323 18, .888 1. ,00 39, .86 BBBB 0

ATOM 4576 N TYR B 234 103, .549 69. .514 20. .554 1, .00 33. .55 BBBB N

ATOM 4577 CA TYR B 234 103. .726 68. .072 20, ,711 1. ,00 33. .55 BBBB C

ATOM 4578 CB TYR B 234 104, .958 67, .786 21. .553 1, ,00 31. .05 BBBB C

ATOM 4579 CG TYR B 234 104, .954 68, .492 22, .889 1. ,00 31, .05 BBBB C

ATOM 4580 CD1 TYR B 234 104, .312 67, ,945 24, .009 1. ,00 31, .05 BBBB c

ATOM 4581 CEl TYR B 234 104 .315 68, .625 25, .225 1. .00 31, .05 BBBB c

ATOM 4582 CD2 TYR B 234 105, .589 69, .728 23, .029 1. .00 31, .05 BBBB c

ATOM 4583 CE2 TYR B 234 105 .596 70 .399 24, .227 1, .00 31 .05 BBBB c

ATOM 4584 CZ TYR B 234 104, .966 69, .850 25, .312 1. .00 31, .05 BBBB c

ATOM 4585 OH TYR B 234 105, .010 70, .546 26, .483 1. .00 31, .05 BBBB 0

ATOM 4586 C TYR B 234 102 .536 67. .388 21, .358 1. .00 33, .55 BBBB c

ATOM 4587 O TYR B 234 101, .622 68. .048 21, .862 1. ,00 33, .55 BBBB 0

ATOM 4588 N THR B 235 102, .569 66, .058 21, .375 1. ,00 35, .96 BBBB N

ATOM 4589 CA THR B 235 101, .474 65. .293 21, .959 1. .00 35 .96 BBBB C

ATOM 4590 CB THR B 235 100 .825 64 .385 20 .913 1, .00 35 .61 BBBB C

ATOM 4591 OG1 THR B 235 101 .821 63 .510 20, .369 1, .00 35 .61 BBBB 0

ATOM 4592 CG2 THR B 235 100 .214 65 .221 19 .797 1, .00 35 .61 BBBB c

ATOM 4593 C THR B 235 101 .866 64 .424 23, .141 1, .00 35 .96 BBBB c

ATOM 4594 O THR B 235 103 .002 64 .445 23 .612 1, .00 35 .96 BBBB 0

ATOM 4595 N SER B 236 100, .894 63 .660 23, .617 1, .00 44. .58 BBBB N ATOM 4596 CA SER B 236 101.098 62.758 24.739 1.00 44.58 BBBB C

ATOM 4597 CB SER B 236 99.808 62.015 25.054 1.00 54.61 BBBB C

ATOM 4598 OG SER B 236 98.761 62.913 25.385 1.00 54.61 BBBB 0

ATOM 4599 C SER B 236 102.180 61.747 24.393 1.00 44.58 BBBB C

ATOM 4600 O SER B 236 102.732 61.091 25.273 1.00 44.58 BBBB 0

ATOM 4601 N SER B 237 102.483 61.632 23.104 1.00 31.85 BBBB N

ATOM 4602 CA SER B 237 103.479 60.688 22.661 1.00 31.85 BBBB C

ATOM 4603 CB SER B 237 103.487 60.570 21.131 1.00 36.72 BBBB C

ATOM 4604 OG SER B 237 104.359 61.497 20.514 1.00 36.72 BBBB 0

ATOM 4605 C SER B 237 104.874 61.011 23.192 1.00 31.85 BBBB C

ATOM 4606 O SER B 237 105.772 60.207 23.042 1.00 31.85 BBBB O

ATOM 4607 N ILE B 238 105.071 62.167 23.820 1.00 30.87 BBBB N

ATOM 4608 CA ILE B 238 106.393 62.455 24.367 1.00 30.87 BBBB C

ATOM 4609 CB ILE B 238 106.544 63.910 24.890 1.00 27.48 BBBB C

ATOM 4610 CG2 ILE B 238 106.513 64.875 23.748 1.00 27.48 BBBB C

ATOM 4611 CGI ILE B 238 105.459 64.237 25.915 1.00 27.48 BBBB C

ATOM 4612 CD1 ILE B 238 105.696 65.556 26.613 1.00 27.48 BBBB C

ATOM 4613 C ILE B 238 106.610 61.508 25.538 1.00 30.87 BBBB C

ATOM 4614 O ILE B 238 107.735 61.137 25.860 1.00 30.87 BBBB O

ATOM 4615 N ASP B 239 105.518 61.117 26.174 1.00 28.07 BBBB N

ATOM 4616 CA ASP B 239 105.610 60.208 27.294 1.00 28.07 BBBB C

ATOM 4617 CB ASP B 239 104.263 60.064 27.996 1.00 26.55 BBBB C

ATOM 4618 CG ASP B 239 103.878 61.290 28.784 1.00 26.55 BBBB C

ATOM 4619 ODl ASP B 239 104.762 62.118 29.096 1.00 26.55 BBBB O

ATOM 4620 OD2 ASP B 239 102.678 61.415 29.105 1.00 26.55 BBBB O

ATOM 4621 C ASP B 239 106.059 58.841 26.810 1.00 28.07 BBBB C

ATOM 4622 O ASP B 239 106.749 58.122 27.525 1.00 28.07 BBBB O

ATOM 4623 N VAL B 240 105.659 58.488 25.592 1.00 35.34 BBBB N

ATOM 4624 CA VAL B 240 106.014 57.200 25.033 1.00 35.34 BBBB C

ATOM 4625 CB VAL B 240 105.168 56.917 23.789 1.00 22.93 BBBB C

ATOM 4626 CGI VAL B 240 105.579 55.612 23.156 1.00 22.93 BBBB C

ATOM 4627 CG2 VAL B 240 103.710 56.859 24.182 1.00 22.93 BBBB C

ATOM 4628 C VAL B 240 107.509 57.139 24.721 1.00 35.34 BBBB C

ATOM 4629 O VAL B 240 108.149 56.090 24.869 1.00 35.34 BBBB O

ATOM 4630 N TRP B 241 108.063 58.266 24.294 1.00 34.28 BBBB N

ATOM 4631 CA TRP B 241 109.485 58.365 24.006 1.00 34.28 BBBB C

ATOM 4632 CB TRP B 241 109.861 59.775 23.551 1.00 28.92 BBBB C

ATOM 4633 CG TRP B 241 111.347 59.947 23.454 1.00 28.92 BBBB C

ATOM 4634 CD2 TRP B 241 112.160 59.674 22.306 1.00 28.92 BBBB C

ATOM 4635 CE2 TRP B 241 113.497 59.869 22.680 1.00 28.92 BBBB C

ATOM 4636 CE3 TRP B 241 111.880 59.271 20.990 1.00 28.92 BBBB C

ATOM 4637 CD1 TRP B 241 112.188 60.290 24.453 1.00 28.92 BBBB C ATOM 4638 NE1 TRP B 241 113,.499 60..250 24,.004 1,.00 28,.92 BBBB N

ATOM 4639 CZ2 TRP B 241 114, .571 59, ,689 21, .780 1. .00 28, .92 BBBB C

ATOM 4640 CZ3 TRP B 241 112, .936 59, ,085 20, .090 1. .00 28, .92 BBBB C

ATOM 4641 CH2 TRP B 241 114. .266 59. .296 20. ,491 1, .00 28. .92 BBBB C

ATOM 4642 C TRP B 241 110, .214 58. .121 25. .304 1. .00 34, .28 BBBB C

ATOM 4643 O TRP B 241 111. .225 57. ,431 25. ,354 1. ,00 34. .28 BBBB O

ATOM 4644 N SER B 242 109, .699 58. .749 26, .350 1, .00 35. .98 BBBB N

ATOM 4645 CA SER B 242 110, ,270 58. .636 27. .676 1. .00 35, .98 BBBB C

ATOM 4646 CB SER B 242 109, .482 59. .504 28, .647 1. .00 42, .08 BBBB C

ATOM 4647 OG SER B 242 109, .545 60. .859 28. .259 1. .00 42, .08 BBBB O

ATOM 4648 C SER B 242 110, .252 57. .203 28. .156 1. .00 35, .98 BBBB c

ATOM 4649 O SER B 242 111, .210 56. .737 28, .759 1. .00 35, .98 BBBB O

ATOM 4650 N ALA B 243 109 .148 56, .517 27, .891 1, .00 33, .94 BBBB N

ATOM 4651 CA ALA B 243 108, .976 55. .140 28, .302 1. .00 33. .94 BBBB C

ATOM 4652 CB ALA B 243 107 .565 54, .687 28, .014 1, .00 23, .57 BBBB C

ATOM 4653 C ALA B 243 109 .973 54, .248 27 .579 1, .00 33 .94 BBBB C

ATOM 4654 O ALA B 243 110, .493 53. .293 28, .158 1, .00 33, .94 BBBB O

ATOM 4655 N GLY B 244 110 .235 54, .563 26, .315 1. .00 27, .35 BBBB N

ATOM 4656 CA GLY B 244 111, .175 53, .784 25, .545 1. .00 27. .35 BBBB C

ATOM 4657 C GLY B 244 112, .578 53, ,973 26, .079 1, .00 27, .35 BBBB C

ATOM 4658 O GLY B 244 113, .410 53. .070 25. .983 1. .00 27. .35 BBBB O

ATOM 4659 N CYS B 245 112, .851 55. .163 26. .611 1. .00 27. .35 BBBB N

ATOM 4660 CA CYS B 245 114, .154 55, .480 27, .183 1. .00 27, .35 BBBB C

ATOM 4661 CB CYS B 245 114 .275 56, .969 27, .504 1, .00 29, .67 BBBB C

ATOM 4662 SG CYS B 245 114, .625 58. .023 26, .108 1. .00 29. .67 BBBB S

ATOM 4663 C CYS B 245 114, .315 54. .704 28, ,477 1. .00 27, .35 BBBB C

ATOM 4664 O CYS B 245 115 .430 54, .339 28, .852 1, .00 27, .35 BBBB O

ATOM 4665 N VAL B 246 113 .198 54, .476 29 .167 1, .00 33 .51 BBBB N

ATOM 4666 CA VAL B 246 113, .223 53, .726 30, .416 1. .00 33, .51 BBBB C

ATOM 4667 CB VAL B 246 111. .912 53, .898 31. .181 1, .00 27 .07 BBBB C

ATOM 4668 CGI VAL B 246 Ill .899 53, .016 32 .401 1, .00 27 .07 BBBB C

ATOM 4669 CG2 VAL B 246 111 .760 55 .334 31 .599 1 .00 27 .07 BBBB c

ATOM 4670 C VAL B 246 113 .450 52, .240 30 .106 1, .00 33 .51 BBBB c

ATOM 4671 O VAL B 246 114 .334 51. .601 30 .674 1, .00 33 .51 BBBB O

ATOM 4672 N LEU B 247 112 .640 51, .704 29 .203 1, .00 28 .84 BBBB N

ATOM 4673 CA LEU B 247 112, .759 50. .318 28, .786 1. . 00 28, .84 BBBB c

ATOM 4674 CB LEU B 247 111. .857 50, .071 27 .573 1, .00 25 .81 BBBB c

ATOM 4675 CG LEU B 247 Ill .625 48, .659 27 .029 1, .00 25 .81 BBBB c

ATOM 4676 CD1 LEU B 247 111 .995 48 .650 25 .567 1 .00 25 .81 BBBB c

ATOM 4677 CD2 LEU B 247 112 .413 47, .617 27 .796 1, .00 25 .81 BBBB c

ATOM 4678 C LEU B 247 114 .229 50 .060 28 .405 1, .00 28 .84 BBBB c

ATOM 4679 O LEU B 247 114 .863 49 .119 28 .889 1 .00 28 .84 BBBB 0 ATOM 4680 N ALA B 248 114,,754 50.,921 27..540 1.. 00 40.,14 BBBB N

ATOM 4681 CA ALA B 248 116. ,128 50. ,824 27, .075 1. ,00 40. ,14 BBBB C

ATOM 4682 CB ALA B 248 116. .421 51. .974 26, .109 1. ,00 35. .92 BBBB C

ATOM 4683 C ALA B 248 117, .137 50. ,827 28. .231 1. ,00 40. .14 BBBB C

ATOM 4684 O ALA B 248 118, .123 50, ,092 28. .206 1. ,00 40. .14 BBBB O

ATOM 4685 N GLU B 249 116, .890 51, ,657 29, .237 1. ,00 33. .34 BBBB N

ATOM 4686 CA GLU B 249 117. .770 51, ,746 30. .397 1. ,00 33. .34 BBBB C

ATOM 4687 CB GLU B 249 117. .322 52, .887 31, .320 1. ,00 35, .08 BBBB C

ATOM 4688 CG GLU B 249 118. .389 53. .362 32, .297 1. .00 35. .08 BBBB C

ATOM 4689 CD GLU B 249 117. .961 54. .591 33, .086 1. .00 35, .08 BBBB C

ATOM 4690 OEl GLU B 249 117. .314 55, .489 32, .492 1. ,00 35, .08 BBBB O

ATOM 4691 OE2 GLU B 249 118. .281 54. .671 34. .294 1. ,00 35. .08 BBBB O

ATOM 4692 C GLU B 249 117. .774 50. .426 31, .181 1. .00 33. .34 BBBB C

ATOM 4693 O GLU B 249 118, .832 49. .906 31. .529 1. .00 33. .34 BBBB O

ATOM 4694 N LEU B 250 116. .588 49. .897 31. .467 1, ,00 39. .87 BBBB N

ATOM 4695 CA LEU B 250 116, .475 48, .650 32, .202 1. .00 39, .87 BBBB C

ATOM 4696 CB LEU B 250 115. .008 48, .297 32, .407 1, .00 25, .06 BBBB C

ATOM 4697 CG LEU B 250 114, .260 49, .197 33, .379 1. .00 25, .06 BBBB C

ATOM 4698 GDI LEU B 250 112. .777 48, .829 33. .347 1, .00 25, .06 BBBB C

ATOM 4699 CD2 LEU B 250 114, .830 49, .055 34, .787 1. ,00 25, .06 BBBB C

ATOM 4700 C LEU B 250 117. .181 47. .497 31, .493 1. ,00 39, .87 BBBB C

ATOM 4701 O LEU B 250 117, .532 46, .513 32, .123 1. ,00 39, .87 BBBB O

ATOM 4702 N LEU B 251 117, .379 47. .628 30, ,186 1. .00 28. .46 BBBB N

ATOM 4703 CA LEU B 251 118, .037 46. .611 29, .382 1. ,00 28. .46 BBBB C

ATOM 4704 CB LEU B 251 117. .438 46. .569 27, .978 1. ,00 24. .35 BBBB C

ATOM 4705 CG LEU B 251 115, .973 46, .191 27, .798 1, .00 24, .35 BBBB C

ATOM 4706 GDI LEU B 251 115, .615 46, .344 26, .344 1. .00 24, .35 BBBB C

ATOM 4707 CD2 LEU B 251 115, ,718 44, .775 28 .289 1. .00 24, .35 BBBB C

ATOM 4708 C LEU B 251 119, .544 46, .828 29 .242 1. .00 28, .46 BBBB C

ATOM 4709 O LEU B 251 120, .302 45, .866 29 .099 1, .00 28, .46 BBBB O

ATOM 4710 N LEU B 252 119, .978 48, .086 29 .254 1, .00 34, .46 BBBB N

ATOM 4711 CA LEU B 252 121 .392 48 .398 29 .111 1, .00 34 .46 BBBB C

ATOM 4712 CB LEU B 252 121 .573 49 .761 28 .450 1, .00 41 .10 BBBB C

ATOM 4713 CG LEU B 252 121, .074 49, .934 27 .024 1, .00 41, .10 BBBB C

ATOM 4714 CD1 LEU B 252 120, ,967 51, .420 26, .712 1. .00 41, .10 BBBB C

ATOM 4715 CD2 LEU B 252 122, .018 49, .218 26, .062 1. .00 41, .10 BBBB C

ATOM 4716 C LEU B 252 122, .088 48, .430 30 .445 1. .00 34, .46 BBBB C

ATOM 4717 O LEU B 252 123 .295 48, .255 30 .526 1. .00 34 .46 BBBB O

ATOM 4718 N GLY B 253 121 .324 48, .668 31 .494 1, .00 32 .29 BBBB N

ATOM 4719 CA GLY B 253 121 .912 48, .754 32 .807 1, .00 32 .29 BBBB C

ATOM 4720 C GLY B 253 122 .329 50 .188 33 .039 1, .00 32 .29 BBBB C

ATOM 4721 O GLY B 253 123 .047 50 .499 33 .993 1, .00 32 .29 BBBB O ATOM 4722 N GLN B 254 121..869 51,.073 32,.164 1..00 37..61 BBBB N

ATOM 4723 CA GLN B 254 122, .207 52, .490 32, .271 1, .00 37, .61 BBBB C

ATOM 4724 CB GLN B 254 123. ,704 52, ,672 32. .090 1. .00 55. .52 BBBB C

ATOM 4725 CG GLN B 254 124. ,184 52. .280 30. .710 1. .00 55. .52 BBBB C

ATOM 4726 CD GLN B 254 125. ,653 52. .573 30. .520 1. ,00 55, .52 BBBB C

ATOM 4727 OEl GLN B 254 126. .494 52, .114 31, .302 1. .00 55, .52 BBBB O

ATOM 4728 NE2 GLN B 254 125. ,979 53, ,338 29, ,479 1. ,00 55, ,52 BBBB N

ATOM 4729 C GLN B 254 121. ,477 53, ,307 31. .204 1. ,00 37. ,61 BBBB C

ATOM 4730 O GLN B 254 121. .039 52, ,769 30, .184 1, ,00 37. .61 BBBB O

ATOM 4731 N PRO B 255 121. .349 54, .624 31. .422 1. .00 47, .82 BBBB N

ATOM 4732 CD PRO B 255 121, .835 55, .397 32, .573 1. .00 40, .78 BBBB C

ATOM 4733 CA PRO B 255 120. .667 55. .494 30, .463 1. ,00 47. .82 BBBB C

ATOM 4734 CB PRO B 255 120. ,774 56. .871 31. .109 1. ,00 40. .78 BBBB C

ATOM 4735 CG PRO B 255 121. .984 56. .756 31. .980 1, .00 40, .78 BBBB C

ATOM 4736 C PRO B 255 121, .240 55, .446 29, .048 1, .00 47, .82 BBBB C

ATOM 4737 O PRO B 255 122. .447 55. .534 28, .840 1, ,00 47, .82 BBBB O

ATOM 4738 N ILE B 256 120, .352 55. .294 28. .072 1. ,00 37, .93 BBBB N

ATOM 4739 CA ILE B 256 120, ,746 55. .218 26, .674 1. .00 37, .93 BBBB C

ATOM 4740 CB ILE B 256 119, .620 54, .570 25, .844 1, .00 31, .84 BBBB C

ATOM 4741 CG2 ILE B 256 118, .287 55. .190 26. .200 1. .00 31, .84 BBBB C

ATOM 4742 CGI ILE B 256 119. .920 54. ,697 24. .355 1. .00 31. .84 BBBB C

ATOM 4743 CD1 ILE B 256 119, .068 53, .790 23. .504 1. .00 31, .84 BBBB C

ATOM 4744 C ILE B 256 121, .152 56, .560 26. .056 1. .00 37, .93 BBBB C

ATOM 4745 O ILE B 256 122 .024 56, .594 25, .195 1, .00 37 .93 BBBB O

ATOM 4746 N PHE B 257 120, .535 57, .657 26, .493 1. .00 40, .82 BBBB N

ATOM 4747 CA PHE B 257 120, .879 58, .982 25. .961 1. ,00 40, .82 BBBB C

ATOM 4748 CB PHE B 257 119, .691 59, .573 25, .222 1. .00 23, .02 BBBB C

ATOM 4749 CG PHE B 257 119 .150 58 .698 24, .151 1, .00 23 .02 BBBB C

ATOM 4750 CD1 PHE B 257 117 .811 58, .325 24, .163 1, .00 23 .02 BBBB c

ATOM 4751 CD2 PHE B 257 119, .959 58, .299 23, .087 1. . 00 23, .02 BBBB c

ATOM 4752 CEl PHE B 257 117 .281 57, .579 23, .129 1, .00 23 .02 BBBB c

ATOM 4753 CE2 PHE B 257 119 .442 57 .548 22 .041 1, .00 23 .02 BBBB c

ATOM 4754 CZ PHE B 257 118 .100 57 .188 22 .057 1 .00 23 .02 BBBB c

ATOM 4755 C PHE B 257 121 .290 59 .935 27 .086 1 .00 40 .82 BBBB c

ATOM 4756 0 PHE B 257 120 .520 60 .806 27 .483 1, .00 40 .82 BBBB 0

ATOM 4757 N PRO B 258 122 .521 59 .791 27 .596 1, .00 38 .48 BBBB N

ATOM 4758 CD PRO B 258 123 .494 58 .759 27 .188 1 .00 32 .49 BBBB C

ATOM 4759 CA PRO B 258 123 .066 60 .610 28 .683 1. .00 38 .48 BBBB C

ATOM 4760 CB PRO B 258 124 .102 59 .678 29 .287 1. .00 32 .49 BBBB C

ATOM 4761 CG PRO B 258 124 .701 59 .078 28 .048 1, .00 32 .49 BBBB c

ATOM 4762 C PRO B 258 123 .682 61 .957 28 .274 1 .00 38 .48 BBBB c

ATOM 4763 O PRO B 258 124 .846 62 .216 28 .576 1. .00 38 .48 BBBB 0 ATOM 4764 N GLY B 259 122..914 62.,815 27.,609 1.,00 37.,02 BBBB N

ATOM 4765 CA GLY B 259 123. ,446 64, .100 27. .177 1. ,00 37. .02 BBBB C

ATOM 4766 C GLY B 259 123. .794 65, .097 28, .276 1. ,00 37, .02 BBBB C

ATOM 4767 O GLY B 259 123. .199 65, .089 29. ,354 1. ,00 37. .02 BBBB O

ATOM 4768 N ASP B 260 124. ,757 65. .972 28. .008 1. ,00 63. .76 BBBB N

ATOM 4769 CA ASP B 260 125. .149 66. .973 29. .001 1. ,00 63. .76 BBBB C

ATOM 4770 CB ASP B 260 126. ,660 67. ,198 28. .981 1. ,00 74. .82 BBBB C

ATOM 4771 CG ASP B 260 127. ,445 65. .902 29. .034 1, ,00 74. .82 BBBB C

ATOM 4772 ODl ASP B 260 127, ,115 65. .038 29. .882 1. .00 74. .82 BBBB O

ATOM 4773 OD2 ASP B 260 128. .394 65. .756 28. .227 1. .00 74. .82 BBBB 0

ATOM 4774 C ASP B 260 124. .450 68. .303 28. .744 1, ,00 63, .76 BBBB c

ATOM 4775 O ASP B 260 124. ,350 69, .147 29. .634 1, ,00 63. .76 BBBB 0

ATOM 4776 N SER B 261 123, .962 68, .483 27. .525 1. ,00 58. .14 BBBB N

ATOM 4777 CA SER B 261 123. .296 69, .716 27. ,162 1, .00 58. .14 BBBB C

ATOM 4778 CB SER B 261 124. .271 70, .622 26. .418 1. .00 58. .50 BBBB C

ATOM 4779 OG SER B 261 124. .712 69, .993 25. .223 1. ,00 58. .50 BBBB 0

ATOM 4780 C SER B 261 122. .136 69, .368 26. .256 1. ,00 58, .14 BBBB c

ATOM 4781 O SER B 261 122. .105 68, .281 25. .689 1. .00 58. .14 BBBB 0

ATOM 4782 N GLY B 262 121. .185 70. ,287 26. .124 1. ,00 51. .23 BBBB N

ATOM 4783 CA GLY B 262 120. .052 70. .039 25. .257 1, ,00 51, .23 BBBB C

ATOM 4784 C GLY B 262 120, .540 69, .799 23, .844 1, .00 51, .23 BBBB C

ATOM 4785 O GLY B 262 119, .814 69. .234 23, .030 1. .00 51. .23 BBBB O

ATOM 4786 N VAL B 263 121, .766 70, .229 23, .547 1, .00 45, .48 BBBB N

ATOM 4787 CA VAL B 263 122, .329 70. .026 22, .217 1. ,00 45, .48 BBBB C

ATOM 4788 CB VAL B 263 123, .394 71. .081 21, .872 1. ,00 40, .68 BBBB C

ATOM 4789 CGI VAL B 263 123, .920 70, .850 20, .456 1. .00 40, .68 BBBB c

ATOM 4790 CG2 VAL B 263 122, .809 72, .467 21, .996 1, .00 40, .68 BBBB c

ATOM 4791 C VAL B 263 122, .994 68, .661 22, .165 1, ,00 45, .48 BBBB c

ATOM 4792 O VAL B 263 122, .892 67 .932 21 .176 1, .00 45, .48 BBBB 0

ATOM 4793 N ASP B 264 123, .681 68, .316 23, .241 1, .00 45, .50 BBBB N

ATOM 4794 CA ASP B 264 124, .364 67, .039 23, .306 1. ,00 45. .50 BBBB C

ATOM 4795 CB ASP B 264 125, .341 67, .029 24 .478 1, .00 64, .55 BBBB C

ATOM 4796 CG ASP B 264 126, .368 65. .929 24 .352 1, .00 64 .55 BBBB c

ATOM 4797 ODl ASP B 264 126 .305 64 .950 25 .139 1, .00 64, .55 BBBB 0

ATOM 4798 OD2 ASP B 264 127 .231 66 .046 23 .449 1, .00 64 .55 BBBB 0

ATOM 4799 C ASP B 264 123, .351 65, .908 23, .453 1. .00 45, ,50 BBBB c

ATOM 4800 O ASP B 264 123 .619 64 .766 23 .102 1, ,00 45 .50 BBBB 0

ATOM 4801 N GLN B 265 122 .181 66 .228 23 .976 1, .00 38 .77 BBBB N

ATOM 4802 CA GLN B 265 121 .162 65 .218 24 .131 1, .00 38 .77 BBBB c

ATOM 4803 CB GLN B 265 119 .923 65 .810 24 .774 1. .00 36 .36 BBBB c

ATOM 4804 CG GLN B 265 118 .909 64 .775 25 .151 1 .00 36 .36 BBBB c

ATOM 4805 CD GLN B 265 119 .493 63 .705 26 .044 1, .00 36 .36 BBBB c ATOM 4806 OEl GLN B 265 120.335 63.978 26.900 1.00 36.36 BBBB O

ATOM 4807 NE2 GLN B 265 119. .033 62. ,479 25, ,863 1. 00 36. ,36 BBBB N

ATOM 4808 C GLN B 265 120. ,850 64. ,732 22. ,724 1. 00 38, ,77 BBBB C

ATOM 4809 O GLN B 265 120. ,759 63. ,529 22. ,481 1. 00 38. ,77 BBBB O

ATOM 4810 N LEU B 266 120. ,695 65. ,681 21. ,800 1. 00 43. ,84 BBBB N

ATOM 4811 CA LEU B 266 120. ,431 65. ,358 20. ,403 1. ,00 43. ,84 BBBB C

ATOM 4812 CB LEU B 266 120. ,245 66, ,627 19. .580 1. ,00 35. ,34 BBBB C

ATOM 4813 CG LEU B 266 120. ,061 66. .383 18, ,077 1. ,00 35, ,34 BBBB C

ATOM 4814 CD1 LEU B 266 118. ,645 65. ,899 17. ,770 1. .00 35. ,34 BBBB C

ATOM 4815 CD2 LEU B 266 120. ,332 67. ,665 17. ,352 1. .00 35, ,34 BBBB C

ATOM 4816 C LEU B 266 121, .610 64. ,577 19, ,829 1. ,00 43. ,84 BBBB C

ATOM 4817 O LEU B 266 121. ,440 63. ,702 18. ,989 1. 00 43. ,84 BBBB O

ATOM 4818 N VAL B 267 122, ,814 64. ,909 20, ,270 1. 00 44. ,92 BBBB N

ATOM 4819 CA VAL B 267 123, ,989 64. ,208 19. ,789 1. 00 44, ,92 BBBB C

ATOM 4820 CB VAL B 267 125. .262 64, ,752 20, ,452 1, ,00 47, ,62 BBBB C

ATOM 4821 CGI VAL B 267 126. .455 63. .908 20, ,064 1. ,00 47. .62 BBBB C

ATOM 4822 CG2 VAL B 267 125. ,481 66, ,182 20, ,022 1. ,00 47. ,62 BBBB C

ATOM 4823 C VAL B 267 123. .833 62. .726 20, .113 1. ,00 44. ,92 BBBB C

ATOM 4824 O VAL B 267 123. .895 61. .874 19. .219 1. .00 44, .92 BBBB O

ATOM 4825 N GLU B 268 123, .628 62, .442 21. .398 1. ,00 34, ,27 BBBB N

ATOM 4826 CA GLU B 268 123, .435 61. .082 21. .900 1. ,00 34. .27 BBBB C

ATOM 4827 CB GLU B 268 123, .039 61. .111 23. .377 1. ,00 47. .78 BBBB C

ATOM 4828 CG GLU B 268 124, .134 61, .556 24, .295 1. ,00 47, .78 BBBB C

ATOM 4829 CD GLU B 268 125, .272 60, .579 24, .307 1. ,00 47, .78 BBBB C

ATOM 4830 OEl GLU B 268 125, .038 59. .407 24. .672 1. ,00 47, .78 BBBB O

ATOM 4831 OE2 GLU B 268 126, .401 60. .972 23. .948 1. ,00 47. .78 BBBB O

ATOM 4832 C GLU B 268 122 .343 60, .375 21, .112 1, .00 34, .27 BBBB C

ATOM 4833 O GLU B 268 122 .438 59, .190 20, .822 1, .00 34 .27 BBBB 0

ATOM 4834 N ILE B 269 121 .297 61, .108 20, .772 1, .00 36 .55 BBBB N

ATOM 4835 CA ILE B 269 120 .213 60, .529 20, .011 1, .00 36 .55 BBBB C

ATOM 4836 CB ILE B 269 119 .010 61, .491 20, .000 1, .00 30 .38 BBBB C

ATOM 4837 CG2 ILE B 269 117 .956 61 .025 19 .020 1 .00 30 .38 BBBB C

ATOM 4838 CGI ILE B 269 118 .428 61 .560 21 .414 1 .00 30 .38 BBBB C

ATOM 4839 GDI ILE B 269 117 .288 62 .536 21 .583 1 .00 30 .38 BBBB C

ATOM 4840 C ILE B 269 120 .704 60 .197 18 .595 1 .00 36 .55 BBBB C

ATOM 4841 O ILE B 269 120 .543 59 .078 18 .121 1 .00 36 .55 BBBB O

ATOM 4842 N ILE B 270 121 .337 61 .159 17 .936 1 .00 50 .46 BBBB N

ATOM 4843 CA ILE B 270 121 .848 60 .936 16 .589 1 .00 50 .46 BBBB C

ATOM 4844 CB ILE B 270 122 .560 62 .206 16 .053 1 .00 43 .03 BBBB C

ATOM 4845 CG2 ILE B 270 123 .385 61 .867 14 .816 1 .00 43 .03 BBBB c

ATOM 4846 CGI ILE B 270 121 .513 63 .291 15 .758 1 .00 43 .03 BBBB c

ATOM 4847 CD1 ILE B 270 122 .091 64 .651 15 .403 1 .00 43 .03 BBBB c ATOM 4848 C ILE B 270 122.,799 59.,736 16.,523 1.00 50.,46 BBBB C

ATOM 4849 O ILE B 270 122. ,788 58. ,984 15. ,549 1. ,00 50. ,46 BBBB O

ATOM 4850 N LYS B 271 123. ,618 59. ,559 17, .554 1, .00 39, ,89 BBBB N

ATOM 4851 CA LYS B 271 124. ,544 58, ,432 17. ,586 1. ,00 39. ,89 BBBB C

ATOM 4852 CB LYS B 271 125. ,247 58, ,344 18. ,940 1. ,00 50. ,59 BBBB C

ATOM 4853 CG LYS B 271 126. ,376 59. ,329 19. ,182 1, ,00 50. .59 BBBB C

ATOM 4854 CD LYS B 271 126. .954 59. ,061 20, .569 1, ,00 50. .59 BBBB C

ATOM 4855 CE LYS B 271 128, .005 60. .062 20. .994 1, .00 50. .59 BBBB C

ATOM 4856 NZ LYS B 271 128. ,457 59. ,756 22. ,390 1. ,00 50. ,59 BBBB N

ATOM 4857 C LYS B 271 123. ,816 57. ,111 17, ,336 1. ,00 39. ,89 BBBB C

ATOM 4858 O LYS B 271 124. ,324 56. ,246 16. ,649 1. ,00 39. ,89 BBBB O

ATOM 4859 N VAL B 272 122, .625 56. ,962 17. ,903 1. ,00 38. .99 BBBB N

ATOM 4860 CA VAL B 272 121. .843 55. ,745 17. ,745 1, ,00 38. .99 BBBB C

ATOM 4861 CB VAL B 272 121. .000 55. .467 19. .006 1. ,00 29, ,72 BBBB C

ATOM 4862 CGI VAL B 272 120, .052 54. ,299 18. ,762 1, ,00 29. .72 BBBB C

ATOM 4863 CG2 VAL B 272 121, .904 55. ,176 20. ,173 1. ,00 29, .72 BBBB C

ATOM 4864 C VAL B 272 120. .909 55. .793 16. ,543 1. ,00 38. .99 BBBB C

ATOM 4865 O VAL B 272 121, .037 54, .988 15. .629 1, .00 38. .99 BBBB O

ATOM 4866 N LEU B 273 119. .964 56, .730 16. .544 1. .00 33. .66 BBBB N

ATOM 4867 CA LEU B 273 119. .011 56. .847 15. .444 1. .00 33. . 66 BBBB C

ATOM 4868 CB LEU B 273 117. .791 57. ,665 15. .878 1. .00 49. .55 BBBB c

ATOM 4869 CG LEU B 273 116, .988 57, .252 17. .115 1, .00 49, ,55 BBBB c

ATOM 4870 CD1 LEU B 273 115, .733 58. .110 17. .193 1. . 00 49. .55 BBBB c

ATOM 4871 CD2 LEU B 273 116. .607 55. .784 17. ,042 1. .00 49. .55 BBBB c

ATOM 4872 C LEU B 273 119, .585 57, .481 14, .173 1. .00 33. .66 BBBB c

ATOM 4873 O LEU B 273 118, .999 57, .367 13, .092 1. .00 33, .66 BBBB O

ATOM 4874 N GLY B 274 120, .728 58, .147 14, .296 1, .00 39. .60 BBBB N

ATOM 4875 CA GLY B 274 121, .290 58, .818 13, .142 1. .00 39, .60 BBBB c

ATOM 4876 C GLY B 274 120, .461 60, .067 12. .887 1, .00 39, .60 BBBB c

ATOM 4877 O GLY B 274 119, .512 60, .356 13, .622 1, .00 39, .60 BBBB O

ATOM 4878 N THR B 275 120, .806 60, .811 11, .847 1, .00 41, .67 BBBB N

ATOM 4879 CA THR B 275 120, .078 62 .028 11, .532 1, .00 41, .67 BBBB C

ATOM 4880 CB THR B 275 120 .794 62 .835 10 .434 1, .00 52 .69 BBBB C

ATOM 4881 OG1 THR B 275 120 .825 62 .091 9 .202 1, .00 52. .69 BBBB O

ATOM 4882 CG2 THR B 275 122, .203 63 .149 10, .881 1, .00 52, .69 BBBB C

ATOM 4883 C THR B 275 118 .653 61 .745 11 .085 1. .00 41 .67 BBBB C

ATOM 4884 O THR B 275 118 .360 60 .681 10 .557 1, .00 41, .67 BBBB O

ATOM 4885 N PRO B 276 117 .740 62 .697 11 .312 1 .00 46 .77 BBBB N

ATOM 4886 CD PRO B 276 117 .919 63 .905 12 .135 1 .00 37 .18 BBBB C

ATOM 4887 CA PRO B 276 116 .336 62 .531 10 .915 1 .00 46 .77 BBBB C

ATOM 4888 CB PRO B 276 115 .606 63 .614 11 .719 1 .00 37 .18 BBBB C

ATOM 4889 CG PRO B 276 116 .593 64 .013 12 .803 1 .00 37 .18 BBBB C ATOM 4890 C PRO B 276 116,,184 62,,770 9.,413 1.,00 46.,77 BBBB C

ATOM 4891 O PRO B 276 117, .122 63. .216 8. ,756 1. ,00 46, ,77 BBBB O

ATOM 4892 N THR B 277 115, ,005 62. ,471 8, .877 1. ,00 54, .17 BBBB N

ATOM 4893 CA THR B 277 114, ,732 62. .698 7, .466 1. .00 54, ,17 BBBB C

ATOM 4894 CB THR B 277 113, ,975 61. ,495 6. .815 1, ,00 34, ,49 BBBB C

ATOM 4895 OG1 THR B 277 112. .647 61, .387 7. .347 1. .00 34, .49 BBBB O

ATOM 4896 CG2 THR B 277 114, .728 60, .198 7. .070 1. .00 34. .49 BBBB C

ATOM 4897 C THR B 277 113. .859 63. .947 7. .437 1. ,00 54. .17 BBBB C

ATOM 4898 O THR B 277 113. .157 64. .229 8. .412 1. ,00 54. .17 BBBB 0

ATOM 4899 N ARG B 278 113. .904 64. .709 6. .349 1. ,00 49. ,99 BBBB N

ATOM 4900 CA ARG B 278 113. .090 65, .921 6. .282 1. .00 49. .99 BBBB C

ATOM 4901 CB ARG B 278 113, .168 66, .566 4, .883 1. .00 90. .84 BBBB C

ATOM 4902 CG ARG B 278 114. .544 67, .181 4, .599 1. .00 90. .84 BBBB C

ATOM 4903 CD ARG B 278 114, .554 68, ,295 3, .537 1. .00 90. .84 BBBB C

ATOM 4904 NE ARG B 278 114. .686 67, .776 2, .178 1. .00 90. .84 BBBB N

ATOM 4905 CZ ARG B 278 115. .261 68, .433 1, .169 1. .00 90. .84 BBBB C

ATOM 4906 NHl ARG B 278 115. .768 69, .645 1, .359 1, .00 90. .84 BBBB N

ATOM 4907 NH2 ARG B 278 115. .332 67, ,880 -0, .035 1. .00 90. .84 BBBB N

ATOM 4908 C ARG B 278 Ill, .653 65, .594 6, .644 1. .00 49, .99 BBBB C

ATOM 4909 0 ARG B 278 110, .968 66, ,381 7, .301 1, .00 49, .99 BBBB O

ATOM 4910 N GLU B 279 111, .195 64, .423 6, .224 1, .00 66, .06 BBBB N

ATOM 4911 CA GLU B 279 109, .834 64, .005 6, .537 1, .00 66, .06 BBBB C

ATOM 4912 CB GLU B 279 109. .555 62. .629 5. .926 1. .00 85. .33 BBBB C

ATOM 4913 CG GLU B 279 108, ,170 62. .062 6. ,232 1. .00 85, .33 BBBB C

ATOM 4914 CD GLU B 279 108, ,108 60, .531 6, ,097 1. .00 85. .33 BBBB C

ATOM 4915 OEl GLU B 279 106, .990 59, .961 6, .184 1. .00 85, .33 BBBB O

ATOM 4916 OE2 GLU B 279 109, .175 59, .892 5, .915 1, .00 85, .33 BBBB O

ATOM 4917 C GLU B 279 109 .703 63, .945 8, .063 1, .00 66, .06 BBBB C

ATOM 4918 O GLU B 279 108 .702 64 .383 8 .639 1, .00 66, .06 BBBB O

ATOM 4919 N GLN B 280 110 .739 63 .406 8 .704 1, .00 55 .71 BBBB N

ATOM 4920 CA GLN B 280 110, .784 63, .275 10, .155 1. .00 55. .71 BBBB C

ATOM 4921 CB GLN B 280 111 .969 62, .397 10 .563 1, .00 37, .17 BBBB C

ATOM 4922 CG GLN B 280 111 .816 60 .953 10 .141 1, .00 37, .17 BBBB C

ATOM 4923 CD GLN B 280 112 .972 60 .078 10 .595 1, .00 37, .17 BBBB C

ATOM 4924 OEl GLN B 280 114 .135 60 .458 10 .477 1, .00 37. .17 BBBB O

ATOM 4925 NE2 GLN B 280 112 .653 58 .891 11 .108 1 .00 37 .17 BBBB N

ATOM 4926 C GLN B 280 110 .870 64 .629 10 .851 1 .00 55 .71 BBBB C

ATOM 4927 O GLN B 280 110 .150 64 .892 11 .819 1, .00 55. .71 BBBB O

ATOM 4928 N ILE B 281 111 .756 65 .489 10 .363 1, .00 38, .58 BBBB N

ATOM 4929 CA ILE B 281 111 .900 66 .808 10 .958 1, .00 38 .58 BBBB C

ATOM 4930 CB ILE B 281 112 .932 67 .646 10 .225 1 .00 40 .70 BBBB C

ATOM 4931 CG2 ILE B 281 112 .915 69 .052 10 .783 1 .00 40 .70 BBBB C ATOM 4932 CGI ILE B 281 114.,315 67.,013 10.,368 1.,00 40.,70 BBBB C

ATOM 4933 CD1 ILE B 281 115, ,388 67. ,691 9. ,535 1. ,00 40. ,70 BBBB C

ATOM 4934 C ILE B 281 110. ,567 67. ,525 10, ,862 1. ,00 38. ,58 BBBB C

ATOM 4935 O ILE B 281 110. ,166 68. ,262 11. ,758 1. ,00 38. ,58 BBBB O

ATOM 4936 N ARG B 282 109, ,883 67. ,276 9. ,758 1. ,00 49. ,85 BBBB N

ATOM 4937 CA ARG B 282 108. ,589 67. ,876 9. .481 1, ,00 49. .85 BBBB C

ATOM 4938 CB ARG B 282 108. ,104 67. ,376 8. .116 1, .00 70, .13 BBBB C

ATOM 4939 CG ARG B 282 107. ,351 68. ,382 7. ,272 1. ,00 70. .13 BBBB C

ATOM 4940 CD ARG B 282 107, ,225 67. ,866 5. .834 1. ,00 70. ,13 BBBB C

ATOM 4941 NE ARG B 282 108. ,511 67. ,889 5. ,135 1, ,00 70. .13 BBBB N

ATOM 4942 CZ ARG B 282 108. ,730 67, .337 3. ,948 1, ,00 70, ,13 BBBB C

ATOM 4943 NHl ARG B 282 107. ,744 66. ,711 3. ,325 1, ,00 70. .13 BBBB N

ATOM 4944 NH2 ARG B 282 109. .928 67. ,412 3. .383 1. .00 70, .13 BBBB N

ATOM 4945 C ARG B 282 107, .596 67. .502 10, .579 1. .00 49. .85 BBBB C

ATOM 4946 O ARG B 282 106. .884 68. ,360 11. .103 1. ,00 49. .85 BBBB O

ATOM 4947 N GLU B 283 107. ,568 66. ,217 10. ,931 1. .00 42. .69 BBBB N

ATOM 4948 CA GLU B 283 106. ,660 65. .680 11. .954 1, .00 42. .69 BBBB C

ATOM 4949 CB GLU B 283 106. .718 64. .151 11. .922 1, .00 77. .45 BBBB C

ATOM 4950 CG GLU B 283 106. .293 63. .543 10. .605 1. .00 77, .45 BBBB C

ATOM 4951 CD GLU B 283 104, .796 63, .626 10, .387 1, .00 77, .45 BBBB C

ATOM 4952 OEl GLU B 283 104, .039 62, .973 11, .142 1. .00 77, .45 BBBB O

ATOM 4953 OE2 GLU B 283 104, .376 64, .350 9, .457 1, .00 77 .45 BBBB O

ATOM 4954 C GLU B 283 106, .968 66. .159 13, .386 1. .00 42, .69 BBBB C

ATOM 4955 O GLU B 283 106, ,058 66, .426 14, .176 1, .00 42, .69 BBBB O

ATOM 4956 N MET B 284 108, .257 66, .238 13, .706 1, .00 41, .62 BBBB N

ATOM 4957 CA MET B 284 108, .709 66, .669 15, .022 1, .00 41 .62 BBBB C

ATOM 4958 CB MET B 284 110, .216 66 .434 15, .161 1, .00 42 .80 BBBB C

ATOM 4959 CG MET B 284 110 .553 65 .289 16 .103 1, .00 42 .80 BBBB C

ATOM 4960 SD MET B 284 112 .111 64 .434 15 .790 1, .00 42 .80 BBBB S

ATOM 4961 CE MET B 284 113 .090 65 .681 15 .023 1 .00 42 .80 BBBB C

ATOM 4962 C MET B 284 108 .356 68 .141 15, .210 1, .00 41 .62 BBBB C

ATOM 4963 O MET B 284 107 .701 68 .509 16 .173 1, .00 41 .62 BBBB O

ATOM 4964 N ASN B 285 108 .794 68 .987 14 .290 1, .00 41 .82 BBBB N

ATOM 4965 CA ASN B 285 108 .438 70 .394 14 .371 1 .00 41 .82 BBBB C

ATOM 4966 CB ASN B 285 109 .471 71 .226 15 .126 1 .00 43 .56 BBBB C

ATOM 4967 CG ASN B 285 108 .990 72 .660 15 .344 1 .00 43 .56 BBBB C

ATOM 4968 ODl ASN B 285 108 .014 73 .103 14 .731 1 .00 43 .56 BBBB O

ATOM 4969 ND2 ASN B 285 109 .669 73 .382 16 .219 1 .00 43 .56 BBBB N

ATOM 4970 C ASN B 285 108 .274 70 .979 12 .972 1 .00 41 .82 BBBB C

ATOM 4971 O ASN B 285 109 .258 71 .260 12 .285 1 .00 41 .82 BBBB O

ATOM 4972 N PRO B 286 107 .023 71 .157 12 .531 1 .00 57 .02 BBBB N

ATOM 4973 CD PRO B 286 105 .818 70 .685 13 .233 1 .00 61 .39 BBBB C ATOM 4974 CA PRO B 286 106..672 71,.707 11,.215 1.,00 57,.02 BBBB C

ATOM 4975 CB PRO B 286 105. .147 71, .668 11. .225 1. ,00 61, ,39 BBBB C

ATOM 4976 CG PRO B 286 104. .867 70. .477 12, .083 1. ,00 61. .39 BBBB C

ATOM 4977 C PRO B 286 107. .230 73, .109 10. .973 1. ,00 57. .02 BBBB C

ATOM 4978 O PRO B 286 107. .506 73, .479 9, ,827 1. ,00 57. .02 BBBB O

ATOM 4979 N ASN B 287 107. .413 73, .882 12. ,043 1. .00 66, ,99 BBBB N

ATOM 4980 CA ASN B 287 107, .968 75, .225 11. .890 1. .00 66. .99 BBBB C

ATOM 4981 CB ASN B 287 107, .432 76, .180 12, .939 1. .00 72, .85 BBBB C

ATOM 4982 CG ASN B 287 106. .008 76, .541 12, .687 1. .00 72. .85 BBBB C

ATOM 4983 ODl ASN B 287 105. .630 76. .854 11. .556 1. .00 72. .85 BBBB O

ATOM 4984 ND2 ASN B 287 105. .197 76. .509 13. .732 1. .00 72. .85 BBBB N

ATOM 4985 C ASN B 287 109. .471 75. .242 11. .949 1. .00 66. .99 BBBB C

ATOM 4986 O ASN B 287 110. .084 76. .305 11. .920 1, .00 66. .99 BBBB O

ATOM 4987 N TYR B 288 110. ,074 74. .071 12. .046 1. .00 51. .00 BBBB N

ATOM 4988 CA TYR B 288 111. .520 74. .022 12. .078 1. .00 51. .00 BBBB C

ATOM 4989 CB TYR B 288 112. .007 72. .909 13. .002 1. .00 35. .31 BBBB C

ATOM 4990 CG TYR B 288 113. .495 72, .786 12, .947 1, .00 35. ,31 BBBB c

ATOM 4991 GDI TYR B 288 114. .112 71, .906 12, .059 1. .00 35. .31 BBBB c

ATOM 4992 CEl TYR B 288 115, .494 71, .895 11, .910 1, .00 35. .31 BBBB c

ATOM 4993 CD2 TYR B 288 114, .300 73, .645 13, .694 1. .00 35, .31 BBBB c

ATOM 4994 CE2 TYR B 288 115. .677 73, .644 13, .554 1, .00 35, .31 BBBB c

ATOM 4995 CZ TYR B 288 116. .266 72, .777 12, .664 1, .00 35, .31 BBBB c

ATOM 4996 OH TYR B 288 117, .634 72, .829 12, .520 1. .00 35. .31 BBBB 0

ATOM 4997 C TYR B 288 112, .024 73, .789 10, .656 1, .00 51. .00 BBBB c

ATOM 4998 O TYR B 288 111, .473 72, .958 9, .928 1, .00 51. .00 BBBB 0

ATOM 4999 N THR B 289 113. .081 74, .498 10, .269 1. .00 52, .09 BBBB N

ATOM 5000 CA THR B 289 113, .625 74, .375 8, .918 1, .00 52, .09 BBBB C

ATOM 5001 CB THR B 289 113, .253 75, .590 8, .033 1, .00 70, .99 BBBB c

ATOM 5002 OG1 THR B 289 111, .830 75, .702 7, .911 1, .00 70, .99 BBBB 0

ATOM 5003 CG2 THR B 289 113, .887 75 .447 6, .646 1, .00 70, .99 BBBB c

ATOM 5004 C THR B 289 115, .130 74 .320 8 .855 1, .00 52, .09 BBBB c

ATOM 5005 O THR B 289 115, .803 75 .245 9 .298 1, .00 52, .09 BBBB 0

ATOM 5006 N GLU B 290 115 .672 73 .250 8 .306 1, .00 60, .06 BBBB N

ATOM 5007 CA GLU B 290 117 .104 73 .196 8 .141 1, .00 60 .06 BBBB C

ATOM 5008 CB GLU B 290 117 .748 72 .167 9 .058 1, .00 62 .29 BBBB c

ATOM 5009 CG GLU B 290 119, .257 72, .352 9, .133 1. .00 62, .29 BBBB c

ATOM 5010 CD GLU B 290 119, .874 71. .719 10, .359 1. .00 62, .29 BBBB c

ATOM 5011 OEl GLU B 290 121. .114 71, .783 10, .491 1, .00 62, ,29 BBBB 0

ATOM 5012 OE2 GLU B 290 119 .127 71 .165 11, .192 1, .00 62, .29 BBBB 0

ATOM 5013 C GLU B 290 117 .269 72 .839 6 .675 1, .00 60, .06 BBBB c

ATOM 5014 O GLU B 290 117 .304 71 .660 6 .291 1, .00 60, .06 BBBB 0

ATOM 5015 N PHE B 291 117 .275 73 .907 5 .878 1, .00 67, .78 BBBB N ATOM 5016 CA PHE B 291 117..433 73,.881 4.,430 1..00 67.,78 BBBB C

ATOM 5017 CB PHE B 291 117. .903 75, .261 3. .890 1, .00 75. ,87 BBBB C

ATOM 5018 CG PHE B 291 116, .998 76. .441 4. .200 1, .00 75. .87 BBBB C

ATOM 5019 CD1 PHE B 291 117, .510 77. .588 4, ,822 1. .00 75. .87 BBBB C

ATOM 5020 CD2 PHE B 291 115, .678 76. .455 3. ,773 1. .00 75. ,87 BBBB C

ATOM 5021 CEl PHE B 291 116. .721 78. .697 5, .026 1. .00 75. .87 BBBB C

ATOM 5022 CE2 PHE B 291 114, .872 77, .571 3, .973 1. .00 75, .87 BBBB C

ATOM 5023 CZ PHE B 291 115, .404 78. .694 4. .593 1. .00 75. ,87 BBBB C

ATOM 5024 C PHE B 291 118. .603 72. .980 4. .050 1. .00 67. ,78 BBBB C

ATOM 5025 O PHE B 291 118. .702 72. .582 2. ,891 1. .00 67. ,78 BBBB O

ATOM 5026 N LYS B 292 119. .391 72. ,552 5. ,035 1. .00 67. .06 BBBB N

ATOM 5027 CA LYS B 292 120, .702 72, .017 4. .696 1. .00 67. ,06 BBBB C

ATOM 5028 CB LYS B 292 121, .439 73. .317 4. .467 1. .00 78. .84 BBBB C

ATOM 5029 CG LYS B 292 120, .775 74, .191 5, .634 1. .00 78, ,84 BBBB C

ATOM 5030 CD LYS B 292 121, .046 75. .638 5. .968 1. .00 78. .84 BBBB C

ATOM 5031 CE LYS B 292 119. .712 76. .272 6. .548 1. ,00 78. ,84 BBBB C

ATOM 5032 NZ LYS B 292 119, .123 76. .004 7. ,926 1. .00 78. .84 BBBB N

ATOM 5033 C LYS B 292 121, .508 71. .216 5. .743 1. .00 67, ,06 BBBB C

ATOM 5034 O LYS B 292 121, .965 71. .840 6, .697 1, .00 67, .06 BBBB O

ATOM 5035 N PHE B 293 121 .760 69, .909 5, .605 1, .00 64, .57 BBBB N

ATOM 5036 CA PHE B 293 122, .598 69. .265 6. .646 1. .00 64, .57 BBBB C

ATOM 5037 CB PHE B 293 121, .801 69, .152 7, .940 1, .00 47, .63 BBBB C

ATOM 5038 CG PHE B 293 120, .771 68. .089 7. .906 1. .00 47. .63 BBBB C

ATOM 5039 GDI PHE B 293 121, .139 66. .762 8, .088 1. .00 47. .63 BBBB C

ATOM 5040 CD2 PHE B 293 119, .445 68. .393 7, .617 1, .00 47, .63 BBBB C

ATOM 5041 CEl PHE B 293 120, .211 65. .752 7, .972 1, .00 47, .63 BBBB C

ATOM 5042 CE2 PHE B 293 118, .498 67. .389 7, .495 1, .00 47, .63 BBBB C

ATOM 5043 CZ PHE B 293 118, .881 66. .062 7, .673 1, .00 47, .63 BBBB C

ATOM 5044 C PHE B 293 123 .312 67, .930 6, .341 1, .00 64, .57 BBBB C

ATOM 5045 O PHE B 293 122 .959 67, .224 5 .402 1, .00 64 .57 BBBB 0

ATOM 5046 N PRO B 294 124, .338 67. .563 7, .140 1. .00 66. .16 BBBB N

ATOM 5047 CD PRO B 294 125, .092 68. .327 8, .157 1, .00 43, .10 BBBB C

ATOM 5048 CA PRO B 294 125, .019 66, .296 6, .831 1, .00 66, .16 BBBB C

ATOM 5049 CB PRO B 294 126 .437 66, .541 7 .344 1, .00 43, .10 BBBB C

ATOM 5050 CG PRO B 294 126 .217 67 .360 8 .550 1 .00 43 .10 BBBB C

ATOM 5051 C PRO B 294 124 .386 65, .040 7, .436 1, .00 66 .16 BBBB C

ATOM 5052 O PRO B 294 124 .422 64 .836 8 .650 1 .00 66 .16 BBBB O

ATOM 5053 N GLN B 295 123 .835 64, .194 6. .567 1, .00 52 .81 BBBB N

ATOM 5054 CA GLN B 295 123 .170 62 .960 6 .977 1 .00 52 .81 BBBB C

ATOM 5055 CB GLN B 295 122 .513 62 .279 5 .772 1 .00 92 .57 BBBB C

ATOM 5056 CG GLN B 295 121 .369 63 .058 5 .151 1 .00 92 .57 BBBB C

ATOM 5057 CD GLN B 295 120 .754 62 .328 3 .976 1 .00 92 .57 BBBB C ATOM 5058 OEl GLN B 295 121,.146 61,.199 3..654 1..00 92,.57 BBBB O

ATOM 5059 NE2 GLN B 295 119, .781 62. ,962 3. ,329 1. .00 92, ,57 BBBB N

ATOM 5060 C GLN B 295 124, ,072 61. .951 7. ,666 1. .00 52. ,81 BBBB C

ATOM 5061 O GLN B 295 125. .249 61. .844 7, ,346 1. .00 52, .81 BBBB O

ATOM 5062 N ILE B 296 123, ,507 61, .229 8. ,630 1. .00 45, .79 BBBB N

ATOM 5063 CA ILE B 296 124, ,230 60, .185 9. .354 1. .00 45. .79 BBBB C

ATOM 5064 CB ILE B 296 124. .611 60. .635 10. ,771 1, .00 68, .73 BBBB C

ATOM 5065 CG2 ILE B 296 125. .069 59. .437 11. ,610 1. .00 68. ,73 BBBB C

ATOM 5066 CGI ILE B 296 125. .710 61. .694 10. ,669 1. .00 68. .73 BBBB C

ATOM 5067 CD1 ILE B 296 126. ,193 62. ,177 11, ,992 1, .00 68. .73 BBBB c

ATOM 5068 C ILE B 296 123, .294 58, .992 9, ,422 1. .00 45. .79 BBBB c

ATOM 5069 O ILE B 296 122, .079 59, .149 9, .556 1, .00 45, .79 BBBB 0

ATOM 5070 N LYS B 297 123, ,841 57, .793 9. .319 1, .00 46, .99 BBBB N

ATOM 5071 CA LYS B 297 122, .975 56. .630 9. .348 1, .00 46, .99 BBBB C

ATOM 5072 CB LYS B 297 123, .488 55, .564 8. .369 1. .00 82, .96 BBBB C

ATOM 5073 CG LYS B 297 123, .526 56, .064 6. .915 1. .00 82, .96 BBBB C

ATOM 5074 CD LYS B 297 122. .184 56. .691 6. ,508 1. .00 82, .96 BBBB C

ATOM 5075 CE LYS B 297 122. .242 57. ,320 5. ,114 1. .00 82. .96 BBBB c

ATOM 5076 NZ LYS B 297 120, .987 58, .049 4, .733 1, .00 82, .96 BBBB N

ATOM 5077 C LYS B 297 122, .800 56, .056 10, ,742 1. .00 46, .99 BBBB C

ATOM 5078 O LYS B 297 123, .714 56, .085 11. .579 1. .00 46. .99 BBBB O

ATOM 5079 N ALA B 298 121. .598 55, ,553 10, .988 1. .00 43, .99 BBBB N

ATOM 5080 CA ALA B 298 121, .280 54, ,961 12. .273 1. .00 43, .99 BBBB C

ATOM 5081 CB ALA B 298 119, .868 54, .408 12. .262 1. .00 36, .04 BBBB C

ATOM 5082 C ALA B 298 122, .258 53, .853 12. .578 1. .00 43, .99 BBBB C

ATOM 5083 O ALA B 298 122, .903 53, ,306 11. .696 1, .00 43, .99 BBBB O

ATOM 5084 N HIS B 299 122, .364 53, .538 13, .853 1, .00 45 .31 BBBB N

ATOM 5085 CA HIS B 299 123 .226 52 .478 14, .307 1, .00 45 .31 BBBB C

ATOM 5086 CB HIS B 299 123, .793 52, .858 15, .668 1, ,00 64, .59 BBBB C

ATOM 5087 CG HIS B 299 125 .073 52 .165 16. .009 1, .00 64 .59 BBBB C

ATOM 5088 CD2 HIS B 299 126, .348 52, .422 15, .633 1, .00 64. .59 BBBB C

ATOM 5089 NDl HIS B 299 125 .130 51 .065 16 .841 1, .00 64 .59 BBBB N

ATOM 5090 CEl HIS B 299 126 .387 50 .677 16, .965 1, .00 64 .59 BBBB C

ATOM 5091 NE2 HIS B 299 127 .147 51 .484 16 .242 1, .00 64 .59 BBBB N

ATOM 5092 C HIS B 299 122 .295 51 .263 14 .411 1 .00 45 .31 BBBB C

ATOM 5093 O HIS B 299 121 .085 51 .411 14 .602 1 . 00 45 .31 BBBB O

ATOM 5094 N PRO B 300 122 .834 50 .048 14 .242 1 .00 45 .52 BBBB N

ATOM 5095 CD PRO B 300 124 .164 49 .730 13 .692 1 .00 32 .28 BBBB C

ATOM 5096 CA PRO B 300 121 .995 48 .839 14 .331 1 .00 45 .52 BBBB C

ATOM 5097 CB PRO B 300 122 .946 47 .732 13 .876 1, .00 32 .28 BBBB C

ATOM 5098 CG PRO B 300 123 .887 48 .467 12 .934 1 .00 32 .28 BBBB c

ATOM 5099 C PRO B 300 121 .471 48 .611 15 .750 1 .00 45 .52 BBBB c ATOM 5100 O PRO B 300 122.245 48.,562 16.,703 1.00 45.52 BBBB O

ATOM 5101 N TRP B 301 120. 157 48. ,467 15. ,882 1. 00 38. 53 BBBB N

ATOM 5102 CA TRP B 301 119. ,542 48. ,266 17. ,192 1. 00 38. ,53 BBBB C

ATOM 5103 CB TRP B 301 118, ,023 48. ,108 17. ,059 1. 00 40. ,37 BBBB C

ATOM 5104 CG TRP B 301 117. ,269 49. ,408 17, ,037 1. 00 40. ,37 BBBB C

ATOM 5105 CD2 TRP B 301 117. ,184 50. ,378 18. ,095 1. 00 40. ,37 BBBB c

ATOM 5106 CE2 TRP B 301 116. ,324 51, ,405 17. .647 1. ,00 40. ,37 BBBB c

ATOM 5107 CE3 TRP B 301 117. ,743 50. .465 19. .374 1, ,00 40, ,37 BBBB c

ATOM 5108 CD1 TRP B 301 116. ,484 49. .886 16. .020 1, ,00 40. ,37 BBBB c

ATOM 5109 NEl TRP B 301 115. ,912 51. .085 16. .382 1. ,00 40. .37 BBBB N

ATOM 5110 CZ2 TRP B 301 116. .022 52. ,522 18. .437 1. ,00 40. .37 BBBB c

ATOM 5111 CZ3 TRP B 301 117, .442 51. .575 20. .161 1. ,00 40. ,37 BBBB c

ATOM 5112 CH2 TRP B 301 116, .584 52. ,588 19. ,688 1. ,00 40. ,37 BBBB c

ATOM 5113 C TRP B 301 120. ,108 47, ,078 17. .953 1. ,00 38. .53 BBBB c

ATOM 5114 O TRP B 301 120. ,356 47. ,157 19. ,153 1. ,00 38, .53 BBBB 0

ATOM 5115 N THR B 302 120, .314 45. .969 17. .265 1. ,00 40, .04 BBBB N

ATOM 5116 CA THR B 302 120. .859 44. .803 17. .932 1, ,00 40, .04 BBBB C

ATOM 5117 CB THR B 302 120, .815 43. .586 17. .026 1. ,00 29. .98 BBBB C

ATOM 5118 OG1 THR B 302 121. .503 43. .875 15. .803 1, ,00 29, .98 BBBB 0

ATOM 5119 CG2 THR B 302 119, .377 43, .223 16. .736 1. ,00 29. .98 BBBB c

ATOM 5120 C THR B 302 122, .292 45, .050 18, .371 1. .00 40, .04 BBBB c

ATOM 5121 O THR B 302 122, .842 44. .276 19, .143 1. .00 40. .04 BBBB 0

ATOM 5122 N ALA B 303 122. .893 46. .127 17. .875 1. ,00 39. .28 BBBB N

ATOM 5123 CA ALA B 303 124, .259 46, .483 18. .245 1. ,00 39. .28 BBBB c

ATOM 5124 CB ALA B 303 124, .956 47. .193 17. .090 1. .00 47. .89 BBBB c

ATOM 5125 C ALA B 303 124 .248 47, .384 19, .482 1. .00 39, .28 BBBB c

ATOM 5126 O ALA B 303 125 .209 47, .388 20, .261 1. .00 39, .28 BBBB 0

ATOM 5127 N VAL B 304 123 .154 48 .136 19, .659 1, .00 34, .30 BBBB N

ATOM 5128 CA VAL B 304 122 .991 49 .043 20 .799 1, .00 34, .30 BBBB C

ATOM 5129 CB VAL B 304 121 .766 49 .967 20 .624 1, .00 47 .02 BBBB C

ATOM 5130 CGI VAL B 304 121 .644 50 .903 21 .816 1 .00 47 .02 BBBB C

ATOM 5131 CG2 VAL B 304 121 .899 50 .776 19 .357 1, .00 47, .02 BBBB C

ATOM 5132 C VAL B 304 122 .839 48 .296 22 .127 1, .00 34, .30 BBBB C

ATOM 5133 0 VAL B 304 123 .381 48 .714 23 .142 1, .00 34, .30 BBBB 0

ATOM 5134 N PHE B 305 122 .090 47 .204 22 .132 1 .00 38 .71 BBBB N

ATOM 5135 CA PHE B 305 121 .926 46 .430 23 .351 1 .00 38 .71 BBBB C

ATOM 5136 CB PHE B 305 120 .487 45 .934 23 .499 1 .00 31 .47 BBBB C

ATOM 5137 CG PHE B 305 119 .467 47 .013 23 .413 1 .00 31 .47 BBBB C

ATOM 5138 CD1 PHE B 305 118 .860 47 .304 22 .207 1 .00 31 .47 BBBB C

ATOM 5139 CD2 PHE B 305 119 .128 47 .748 24 .530 1 .00 31 .47 BBBB c

ATOM 5140 CEl PHE B 305 117 .926 48 .316 22 .109 1 .00 31 .47 BBBB c

ATOM 5141 CE2 PHE B 305 118 .186 48 .773 24 .441 1 .00 31 .47 BBBB c ATOM 5142 CZ PHE B 305 117.587 49.,055 23.,226 1.00 31,,47 BBBB C

ATOM 5143 C PHE B 305 122. 853 45. ,232 23. ,336 1. 00 38. ,71 BBBB C

ATOM 5144 O PHE B 305 123. ,432 44. ,871 22. ,316 1. 00 38. ,71 BBBB O

ATOM 5145 N SER B 306 122. ,976 44. ,601 24. ,483 1. 00 45. ,20 BBBB N

ATOM 5146 CA SER B 306 123. ,818 43. .425 24. ,606 1. 00 45. .20 BBBB C

ATOM 5147 CB SER B 306 124. ,042 43. .150 26. .091 1. .00 50. .45 BBBB C

ATOM 5148 OG SER B 306 124. ,807 44. .175 26. .713 1. .00 50. .45 BBBB 0

ATOM 5149 C SER B 306 123. ,219 42. ,191 23. ,894 1. ,00 45. .20 BBBB c

ATOM 5150 O SER B 306 122. ,006 42, .088 23. .720 1. ,00 45. ,20 BBBB 0

ATOM 5151 N PRO B 307 124. ,081 41. ,249 23. ,471 1, ,00 48. .67 BBBB N

ATOM 5152 CD PRO B 307 125. ,524 41. ,304 23. .779 1, ,00 43. .82 BBBB C

ATOM 5153 CA PRO B 307 123. ,743 40. .000 22. ,771 1, .00 48. .67 BBBB C

ATOM 5154 CB PRO B 307 125. ,062 39. .188 22. ,842 1. ,00 43. .82 BBBB C

ATOM 5155 CG PRO B 307 126. ,106 40. .232 22. .879 1. ,00 43. .82 BBBB C

ATOM 5156 C PRO B 307 122. ,560 39, .274 23. .394 1. .00 48. .67 BBBB C

ATOM 5157 O PRO B 307 121. ,512 39, .133 22. .779 1. ,00 48. .67 BBBB O

ATOM 5158 N ARG B 308 122, ,738 38. .860 24, .635 1. ,00 42. .98 BBBB N

ATOM 5159 CA ARG B 308 121, ,732 38. .113 25. .366 1. ,00 42. .98 BBBB C

ATOM 5160 CB ARG B 308 122, ,380 37. .640 26. .675 1, ,00 94. .84 BBBB C

ATOM 5161 CG ARG B 308 123, ,771 37, .016 26. .355 1. ,00 94, .84 BBBB C

ATOM 5162 CD ARG B 308 124. ,750 36, .941 27. .546 1, ,00 94, .84 BBBB C

ATOM 5163 NE ARG B 308 125. .289 38, .237 27, .981 1, .00 94, .84 BBBB N

ATOM 5164 CZ ARG B 308 126, .032 39, .062 27, .240 1. .00 94, .84 BBBB C

ATOM 5165 NHl ARG B 308 126, .344 38, .765 25, .986 1. .00 94, .84 BBBB N

ATOM 5166 NH2 ARG B 308 126, .507 40, .179 27, .782 1, .00 94, .84 BBBB N

ATOM 5167 C ARG B 308 120, .380 38 .818 25, .587 1, .00 42, .98 BBBB C

ATOM 5168 O ARG B 308 119, .452 38 .257 26, .162 1, .00 42 .98 BBBB O

ATOM 5169 N THR B 309 120, .269 40 .053 25, .130 1, .00 40 .92 BBBB N

ATOM 5170 CA THR B 309 119 .029 40 .795 25 .275 1 .00 40 .92 BBBB C

ATOM 5171 CB THR B 309 119 .271 42 .233 24 .902 1 .00 47 .53 BBBB C

ATOM 5172 OG1 THR B 309 120, .120 42 .841 25, .885 1, .00 47 .53 BBBB O

ATOM 5173 CG2 THR B 309 117, .948 42 .966 24, .783 1 .00 47 .53 BBBB C

ATOM 5174 C THR B 309 117 .961 40 .231 24, .330 1 .00 40 .92 BBBB C

ATOM 5175 O THR B 309 118 .226 40 .070 23 .140 1 .00 40 .92 BBBB O

ATOM 5176 N PRO B 310 116 .746 39 .926 24 .841 1 .00 34 .46 BBBB N

ATOM 5177 CD PRO B 310 116 .387 39 .878 26 .270 1 .00 26 .66 BBBB C

ATOM 5178 CA PRO B 310 115 .651 39 .381 24 .018 1 .00 34 .46 BBBB C

ATOM 5179 CB PRO B 310 114 .533 39 .120 25 .033 1 .00 26 .66 BBBB c

ATOM 5180 CG PRO B 310 114 .890 39 .972 26 .214 1 .00 26 .66 BBBB c

ATOM 5181 C PRO B 310 115 .204 40 .280 22 .873 1 .00 34 .46 BBBB c

ATOM 5182 O PRO B 310 114 .974 41 .458 23 .067 1 .00 34 .46 BBBB 0

ATOM 5183 N PRO B 311 115 .072 39 .718 21 .660 1 .00 30 .09 BBBB N ATOM 5184 CD PRO B 311 115.135 38.,272 21.,384 1.00 31.32 BBBB C

ATOM 5185 CA PRO B 311 114. 659 40. ,452 20. ,463 1. 00 30. 09 BBBB C

ATOM 5186 CB PRO B 311 114. 490 39, ,350 19. ,413 1. ,00 31. 32 BBBB C

ATOM 5187 CG PRO B 311 115. 342 38. ,243 19. ,918 1. .00 31. 32 BBBB C

ATOM 5188 C PRO B 311 113. ,367 41, ,229 20, ,664 1, ,00 30, ,09 BBBB C

ATOM 5189 O PRO B 311 113. ,224 42. ,345 20, ,175 1. ,00 30. .09 BBBB O

ATOM 5190 N GLU B 312 112. ,418 40. ,641 21, .383 1. ,00 30. ,89 BBBB N

ATOM 5191 CA GLU B 312 111. ,142 41. ,328 21, ,581 1. ,00 30, ,89 BBBB C

ATOM 5192 CB GLU B 312 110. ,147 40. .423 22. ,303 1. ,00 51, ,84 BBBB C

ATOM 5193 CG GLU B 312 109, ,744 39. .221 21. ,464 1. ,00 51. .84 BBBB C

ATOM 5194 CD GLU B 312 108. .846 38. .252 22. .214 1. .00 51. ,84 BBBB C

ATOM 5195 OEl GLU B 312 109. ,220 37. ,841 23. ,329 1, ,00 51. ,84 BBBB O

ATOM 5196 OE2 GLU B 312 107, ,772 37. ,895 21. ,690 1. ,00 51. ,84 BBBB O

ATOM 5197 C GLU B 312 111. ,294 42. ,661 22. ,304 1. ,00 30. ,89 BBBB C

ATOM 5198 O GLU B 312 110, ,637 43. ,631 21, .959 1, .00 30. ,89 BBBB O

ATOM 5199 N ALA B 313 112. ,166 42. ,719 23. .295 1, .00 30. ,95 BBBB N

ATOM 5200 CA ALA B 313 112. ,374 43. ,973 24. .000 1, .00 30. ,95 BBBB C

ATOM 5201 CB ALA B 313 113. .278 43. ,760 25. ,214 1, .00 31. .46 BBBB C

ATOM 5202 C ALA B 313 113. .001 44. ,983 23. ,035 1, ,00 30. ,95 BBBB C

ATOM 5203 O ALA B 313 112, .663 46. ,165 23. .045 1. .00 30. .95 BBBB 0

ATOM 5204 N ILE B 314 113, .910 44, .507 22. .194 1. .00 31, .16 BBBB N

ATOM 5205 CA ILE B 314 114, .575 45, .381 21. .241 1, .00 31, .16 BBBB C

ATOM 5206 CB ILE B 314 115, .751 44, .657 20. .551 1, .00 28, .18 BBBB C

ATOM 5207 CG2 ILE B 314 116, .347 45, .532 19. .480 1, .00 28, .18 BBBB C

ATOM 5208 CGI ILE B 314 116, ,812 44, .305 21. .591 1. .00 28, .18 BBBB C

ATOM 5209 CD1 ILE B 314 118 .037 43 .602 21, .028 1, .00 28 .18 BBBB C

ATOM 5210 C ILE B 314 113 .584 45 .870 20, .184 1, .00 31 .16 BBBB C

ATOM 5211 O ILE B 314 113 .611 47 .027 19, .770 1, .00 31 .16 BBBB O

ATOM 5212 N ALA B 315 112 .704 44 .978 19, .757 1, .00 28, .06 BBBB N

ATOM 5213 CA ALA B 315 111 .731 45 .322 18, .750 1, .00 28, .06 BBBB C

ATOM 5214 CB ALA B 315 110 .880 44 .111 18 .416 1 .00 29 .01 BBBB C

ATOM 5215 C ALA B 315 110 .869 46 .456 19 .289 1 .00 28 .06 BBBB C

ATOM 5216 O ALA B 315 110 .824 47 .553 18 .719 1 .00 28 .06 BBBB O

ATOM 5217 N LEU B 316 110 .186 46 .174 20 .392 1 .00 32 .53 BBBB N

ATOM 5218 CA LEU B 316 109 .318 47 .136 21 .036 1 .00 32 .53 BBBB C

ATOM 5219 CB LEU B 316 108 .946 46 .632 22 .425 1 .00 27 .08 BBBB C

ATOM 5220 CG LEU B 316 108 .098 47 .564 23 .293 1 .00 27 .08 BBBB C

ATOM 5221 GDI LEU B 316 106 .815 47 .940 22 .565 1 .00 27 .08 BBBB C

ATOM 5222 CD2 LEU B 316 107 .796 46 .873 24 .609 1 .00 27 .08 BBBB C

ATOM 5223 C LEU B 316 110 .003 48 .483 21 .150 1 .00 32 .53 BBBB C

ATOM 5224 O LEU B 316 109 .505 49 .497 20 .675 1 .00 32 .53 BBBB O

ATOM 5225 N CYS B 317 111 .157 48 .473 21 .794 1 .00 35 .10 BBBB N ATOM 5226 CA CYS B 317 111.,951 49.,661 22.,003 1.,00 35.10 BBBB C

ATOM 5227 CB CYS B 317 113. ,283 49. 245 22. ,604 1. 00 49. 00 BBBB C

ATOM 5228 SG CYS B 317 114. ,282 50. 585 23. ,175 1. 00 49. 00 BBBB S

ATOM 5229 C CYS B 317 112. ,166 50. ,428 20. ,699 1. ,00 35. 10 BBBB C

ATOM 5230 O CYS B 317 112. ,290 51. 653 20. ,698 1. 00 35. 10 BBBB O

ATOM 5231 N SER B 318 112. ,201 49. ,699 19. ,588 1. ,00 33. ,72 BBBB N

ATOM 5232 CA SER B 318 112. ,397 50. ,283 18. ,267 1. ,00 33. 72 BBBB C

ATOM 5233 CB SER B 318 112. ,875 49. 195 17. ,306 1. 00 39. 19 BBBB C

ATOM 5234 OG SER B 318 112. ,219 49. ,289 16. ,057 1. ,00. 39. 19 BBBB O

ATOM 5235 C SER B 318 111. .126 50. ,948 17, .728 1. ,00 33. ,72 BBBB C

ATOM 5236 O SER B 318 111. ,155 51. ,658 16, ,726 1. ,00 33. ,72 BBBB 0

ATOM 5237 N ARG B 319 110. ,015 50. ,717 18, ,413 1. ,00 33. 33 BBBB N

ATOM 5238 CA ARG B 319 108. ,732 51. .271 18, ,029 1. ,00 33. ,33 BBBB C

ATOM 5239 CB ARG B 319 107. .649 50. .199 18. .114 1. .00 39, .03 BBBB C

ATOM 5240 CG ARG B 319 108. .005 48. .960 17. .333 1. ,00 39, ,03 BBBB C

ATOM 5241 CD ARG B 319 108. .058 49. .257 15. .852 1. .00 39. ,03 BBBB c

ATOM 5242 NE ARG B 319 106, .750 48. .976 15. .286 1. .00 39, .03 BBBB N

ATOM 5243 CZ ARG B 319 105. .972 49. .878 14. .716 1. .00 39, .03 BBBB C

ATOM 5244 NHl ARG B 319 106, .392 51. .136 14, .623 1. .00 39, ,03 BBBB N

ATOM 5245 NH2 ARG B 319 104. .764 49. .528 14. .292 1. ,00 39, .03 BBBB N

ATOM 5246 C ARG B 319 108, .397 52, .406 18, .957 1, .00 33. .33 BBBB C

ATOM 5247 O ARG B 319 107, .381 53, .084 18, .797 1. .00 33, .33 BBBB O

ATOM 5248 N LEU B 320 109, .258 52, .618 19, .941 1, .00 36. .02 BBBB N

ATOM 5249 CA LEU B 320 109 .048 53 .695 20 .888 1 .00 36, .02 BBBB C

ATOM 5250 CB LEU B 320 109, .274 53, ,174 22, .303 1. .00 25, .25 BBBB C

ATOM 5251 CG LEU B 320 108, .399 51, .978 22, .714 1, .00 25, ,25 BBBB C

ATOM 5252 GDI LEU B 320 108 .703 51 .583 24 .154 1 .00 25, .25 BBBB C

ATOM 5253 CD2 LEU B 320 106 .938 52 .325 22 .576 1, .00 25, .25 BBBB C

ATOM 5254 C LEU B 320 110, .007 54 .839 20 .562 1, .00 36, .02 BBBB C

ATOM 5255 O LEU B 320 109 .591 55 .972 20 .352 1 .00 36 .02 BBBB O

ATOM 5256 N LEU B 321 111 .290 54 .521 20 .489 1 .00 32 .73 BBBB N

ATOM 5257 CA LEU B 321 112 .314 55 .508 20 .199 1 .00 32 .73 BBBB C

ATOM 5258 CB LEU B 321 113 .671 55 .005 20 .713 1 .00 25 .60 BBBB C

ATOM 5259 CG LEU B 321 113 .668 54 .564 22 .195 1 .00 25 .60 BBBB C

ATOM 5260 CD1 LEU B 321 115 .054 54 .126 22 .611 1 .00 25 .60 BBBB C

ATOM 5261 CD2 LEU B 321 113 .197 55 .692 23 .098 1 .00 25 .60 BBBB C

ATOM 5262 C LEU B 321 112 .360 55 .808 18 .703 1 .00 32 .73 BBBB c

ATOM 5263 O LEU B 321 113 .278 55 .413 17 .988 1 .00 32 .73 BBBB 0

ATOM 5264 N GLU B 322 111 .335 56 .513 18 .247 1 .00 36 .46 BBBB N

ATOM 5265 CA GLU B 322 111 .188 56 .921 16 .858 1 .00 36 .46 BBBB c

ATOM 5266 CB GLU B 322 109 .892 56 .344 16 .277 1 .00 46 .70 BBBB c

ATOM 5267 CG GLU B 322 109 .890 54 .848 16 .117 1 .00 46 .70 BBBB c ATOM 5268 CD GLU B 322 110,,253 54..389 14.,704 1.,00 46,.70 BBBB C

ATOM 5269 OEl GLU B 322 111, ,088 55. ,060 14. ,046 1. ,00 46. .70 BBBB O

ATOM 5270 OE2 GLU B 322 109. .707 53. .343 14, .269 1. ,00 46, .70 BBBB O

ATOM 5271 C GLU B 322 111. ,108 58, .445 16. .803 1. ,00 36, .46 BBBB C

ATOM 5272 O GLU B 322 110. .546 59, ,079 17. .699 1. ,00 36, .46 BBBB O

ATOM 5273 N TYR B 323 111. .667 59. .020 15. .747 1. ,00 35, .35 BBBB N

ATOM 5274 CA TYR B 323 Ill, .638 60. .461 15. .528 1. ,00 35, .35 BBBB C

ATOM 5275 CB TYR B 323 112, .489 60. .832 14. ,319 1, .00 29, .34 BBBB C

ATOM 5276 CG TYR B 323 113. .950 61. .000 14. ,624 1, ,00 29, .34 BBBB C

ATOM 5277 CD1 TYR B 323 114. .923 60. ,413 13. ,819 1. .00 29, .34 BBBB C

ATOM 5278 CEl TYR B 323 116. .281 60. ,632 14. ,063 1. ,00 29. .34 BBBB C

ATOM 5279 CD2 TYR B 323 114. .369 61. ,806 15. ,679 1. ,00 29, .34 BBBB C

ATOM 5280 CE2 TYR B 323 115. .704 62. ,032 15. .918 1. ,00 29, .34 BBBB C

ATOM 5281 CZ TYR B 323 116. .650 61. .447 15. .116 1. .00 29, .34 BBBB C

ATOM 5282 OH TYR B 323 117. .974 61. .681 15. .371 1. .00 29. .34 BBBB O

ATOM 5283 C TYR B 323 110, .218 60. .944 15. .289 1, .00 35, .35 BBBB C

ATOM 5284 O TYR B 323 109. .748 61, .858 15. ,967 1, .00 35, .35 BBBB O

ATOM 5285 N THR B 324 109. .545 60. .341 14. .312 1. ,00 41, .46 BBBB N

ATOM 5286 CA THR B 324 108, .166 60, .713 13. .986 1, .00 41, .46 BBBB C

ATOM 5287 CB THR B 324 107. .726 60, .097 12. ,643 1, .00 32, .74 BBBB C

ATOM 5288 OG1 THR B 324 108, .569 60. .599 11, .603 1. .00 32 .74 BBBB O

ATOM 5289 CG2 THR B 324 106, .288 60, ,447 12, .331 1. ,00 32, .74 BBBB C

ATOM 5290 C THR B 324 107, .211 60, .259 15. .089 1. .00 41, .46 BBBB C

ATOM 5291 O THR B 324 106. .841 59. .086 15. .162 1. .00 41, .46 BBBB O

ATOM 5292 N PRO B 325 106, .792 61, .199 15. .954 1, ,00 44, .09 BBBB N

ATOM 5293 CD PRO B 325 107, .015 62, .642 15, .751 1, .00 33, .64 BBBB C

ATOM 5294 CA PRO B 325 105 .884 60, .984 17, .087 1, .00 44 .09 BBBB C

ATOM 5295 CB PRO B 325 105, .469 62, ,408 17. .469 1, .00 33, .64 BBBB C

ATOM 5296 CG PRO B 325 106, .635 63. .217 17. ,099 1. .00 33, .64 BBBB c

ATOM 5297 C PRO B 325 104 .668 60, .130 16, .742 1, .00 44. .09 BBBB c

ATOM 5298 O PRO B 325 104, .236 59, .274 17. .520 1, .00 44. .09 BBBB 0

ATOM 5299 N THR B 326 104 .111 60 .394 15, .570 1, .00 40 .30 BBBB N

ATOM 5300 CA THR B 326 102 .927 59, .696 15, .107 1, .00 40. .30 BBBB C

ATOM 5301 CB THR B 326 102 .366 60, .365 13, .828 1, .00 52. .26 BBBB C

ATOM 5302 OG1 THR B 326 102, .813 61, .724 13, .761 1, .00 52, .26 BBBB O

ATOM 5303 CG2 THR B 326 100 .852 60, .367 13, .861 1, .00 52 .26 BBBB C

ATOM 5304 C THR B 326 103 .234 58, .234 14, .816 1, ,00 40, .30 BBBB C

ATOM 5305 O THR B 326 102 .336 57 .397 14 .794 1, .00 40 .30 BBBB 0

ATOM 5306 N ALA B 327 104 .507 57 .939 14 .589 1, .00 37 .03 BBBB N

ATOM 5307 CA ALA B 327 104 .937 56 .580 14, .294 1, .00 37, .03 BBBB C

ATOM 5308 CB ALA B 327 106 .276 56 .601 13 .586 1 .00 39 .42 BBBB C

ATOM 5309 C ALA B 327 105 .034 55 .767 15 .578 1 .00 37 .03 BBBB C ATOM 5310 O ALA B 327 104,,818 54.,555 15.578 1.00 37.,03 BBBB O

ATOM 5311 N ARG B 328 105. ,358 56. ,442 16. ,673 1. 00 30. ,38 BBBB N

ATOM 5312 CA ARG B 328 105. ,462 55, ,778 17. ,956 1. ,00 30. ,38 BBBB C

ATOM 5313 CB ARG B 328 105. ,776 56, ,792 19. ,054 1. ,00 30, ,61 BBBB C

ATOM 5314 CG ARG B 328 107. ,167 57. ,360 18. ,963 1. ,00 30, ,61 BBBB C

ATOM 5315 CD ARG B 328 107, ,337 58. ,530 19. ,882 1, ,00 30. ,61 BBBB C

ATOM 5316 NE ARG B 328 108. .402 59, ,398 19. ,390 1, .00 30. ,61 BBBB N

ATOM 5317 CZ ARG B 328 108. .477 60. ,693 19. ,668 1. ,00 30. ,61 BBBB C

ATOM 5318 NHl ARG B 328 107. ,550 61. .247 20. ,441 1. ,00 30. ,61 BBBB N

ATOM 5319 NH2 ARG B 328 109. ,443 61. ,436 19. ,140 1. ,00 30. ,61 BBBB N

ATOM 5320 C ARG B 328 104, .182 55. ,032 18. ,293 1, .00 30. .38 BBBB C

ATOM 5321 O ARG B 328 103. .089 55. ,472 17, ,962 1. ,00 30. .38 BBBB O

ATOM 5322 N LEU B 329 104, ,352 53. ,895 18. ,955 1. ,00 38, ,88 BBBB N

ATOM 5323 CA LEU B 329 103, .263 53. ,025 19. ,379 1, ,00 38, ,88 BBBB C

ATOM 5324 CB LEU B 329 103. .879 51. .741 19. .970 1, .00 29, .76 BBBB c

ATOM 5325 CG LEU B 329 103. .636 50. .328 19. ,410 1. ,00 29, , 16 BBBB c

ATOM 5326 CD1 LEU B 329 103. .759 50. ,263 17, ,898 1. .00 29. ,76 BBBB c

ATOM 5327 CD2 LEU B 329 104. .644 49. .401 20. ,059 1, ,00 29. ,76 BBBB c

ATOM 5328 C LEU B 329 102. .418 53. .748 20. ,441 1, ,00 38. .88 BBBB c

ATOM 5329 0 LEU B 329 102, .912 54, .642 21. ,128 1. ,00 38. .88 BBBB 0

ATOM 5330 N THR B 330 101, .147 53, .387 20. .574 1. .00 42, .42 BBBB N

ATOM 5331 CA THR B 330 100, .336 54, .025 21. .603 1. .00 42, .42 BBBB C

ATOM 5332 CB THR B 330 98. .836 54, .145 21. .205 1. .00 40. ,99 BBBB C

ATOM 5333 OG1 THR B 330 98, .284 52, .849 20. .983 1. .00 40. ,99 BBBB 0

ATOM 5334 CG2 THR B 330 98, .683 54, .974 19. .951 1. .00 40. ,99 BBBB c

ATOM 5335 C THR B 330 100, .464 53, .150 22. .840 1. .00 42, .42 BBBB c

ATOM 5336 O THR B 330 100 .771 51 .968 22, .739 1. .00 42, .42 BBBB 0

ATOM 5337 N PRO B 331 100 .257 53 .722 24, .030 1, .00 39, .73 BBBB N

ATOM 5338 CD PRO B 331 100 .080 55 .152 24, .345 1, .00 25 .54 BBBB c

ATOM 5339 CA PRO B 331 100 .366 52 .931 25 .256 1 .00 39 .73 BBBB c

ATOM 5340 CB PRO B 331 99 .846 53 .892 26, .309 1, ,00 25, .54 BBBB c

ATOM 5341 CG PRO B 331 100 .396 55 .193 25, .817 1, .00 25 .54 BBBB c

ATOM 5342 C PRO B 331 99 .619 51 .585 25 .242 1 .00 39 .73 BBBB c

ATOM 5343 O PRO B 331 100 .171 50 .563 25 .643 1 .00 39 .73 BBBB 0

ATOM 5344 N LEU B 332 98 .372 51 .570 24 .795 1 .00 33 .12 BBBB N

ATOM 5345 CA LEU B 332 97 .653 50 .312 24 .757 1 .00 33 .12 BBBB C

ATOM 5346 CB LEU B 332 96 .212 50 .509 24 .311 1 .00 47 .83 BBBB c

ATOM 5347 CG LEU B 332 95 .157 50 .949 25 .319 1 .00 47 .83 BBBB c

ATOM 5348 CD1 LEU B 332 93 .815 50 .919 24 .603 1 .00 47 .83 BBBB c

ATOM 5349 CD2 LEU B 332 95 .133 50 .023 26 .535 1 .00 47 .83 BBBB c

ATOM 5350 C LEU B 332 98 .345 49 .399 23 .772 1 .00 33 .12 BBBB c

ATOM 5351 0 LEU B 332 98 .514 48 .205 24 .032 1 .00 33 .12 BBBB 0 ATOM 5352 N GLU B 333 98,.723 49,,979 22,.632 1.,00 47..48 BBBB N

ATOM 5353 CA GLU B 333 99, .425 49. .271 21, .568 1. ,00 47, .48 BBBB C

ATOM 5354 CB GLU B 333 99, .914 50, .264 20, .511 1. ,00 44, .74 BBBB C

ATOM 5355 CG GLU B 333 99. ,130 50. ,278 19. ,207 1. ,00 44, ,74 BBBB c

ATOM 5356 CD GLU B 333 99. ,407 51. ,516 18. ,348 1. 00 44. ,74 BBBB c

ATOM 5357 OEl GLU B 333 100. ,568 51. ,990 18. .270 1. ,00 44, ,74 BBBB 0

ATOM 5358 OE2 GLU B 333 98. ,445 52. ,003 17, ,731 1. ,00 44. ,74 BBBB 0

ATOM 5359 C GLU B 333 100. .626 48. ,561 22. ,176 1, ,00 47. .48 BBBB c

ATOM 5360 O GLU B 333 100, .810 47. .357 21, ,993 1. ,00 47, .48 BBBB 0

ATOM 5361 N ALA B 334 101, .438 49. .315 22. ,908 1. ,00 37, .64 BBBB N

ATOM 5362 CA ALA B 334 102, .625 48. .758 23. ,549 1, .00 37, .64 BBBB C

ATOM 5363 CB ALA B 334 103, .366 49. .847 24. ,327 1, ,00 33. .53 BBBB C

ATOM 5364 C ALA B 334 102, .232 47. .614 24. ,480 1, .00 37, .64 BBBB c

ATOM 5365 O ALA B 334 102, .877 46. .566 24. ,502 1, .00 37. .64 BBBB 0

ATOM 5366 N CYS B 335 101, .168 47, .817 25. .244 1. .00 45, .61 BBBB N

ATOM 5367 CA CYS B 335 100, ,692 46, .796 26, .162 1. .00 45, .61 BBBB C

ATOM 5368 CB CYS B 335 99, .440 47, ,288 26, .885 1. .00 32, .79 BBBB C

ATOM 5369 SG CYS B 335 99 .773 48, .375 28, .283 1. .00 32, .79 BBBB S

ATOM 5370 C CYS B 335 100, .390 45, .503 25. ,419 1. .00 45, .61 BBBB C

ATOM 5371 O CYS B 335 100. .596 44, ,408 25. ,940 1. .00 45, .61 BBBB 0

ATOM 5372 N ALA B 336 99, .891 45. .643 24. .196 1. .00 33, .78 BBBB N

ATOM 5373 CA ALA B 336 99, .567 44. .491 23. .367 1. .00 33, .78 BBBB C

ATOM 5374 CB ALA B 336 98 .531 44, .870 22, .326 1, ,00 22 .98 BBBB C

ATOM 5375 C ALA B 336 100, .831 43, .967 22, .677 1. .00 33, .78 BBBB C

ATOM 5376 O ALA B 336 100 .800 42 .924 22, .054 1, .00 33 .78 BBBB O

ATOM 5377 N HIS B 337 101 .944 44 .679 22, .787 1, .00 32, .02 BBBB N

ATOM 5378 CA HIS B 337 103 .149 44, .201 22, .134 1, ,00 32. .02 BBBB C

ATOM 5379 CB HIS B 337 104 .324 45 .146 22 .354 1, .00 24 .42 BBBB C

ATOM 5380 CG HIS B 337 105 .525 44 .818 21, .514 1, .00 24 .42 BBBB C

ATOM 5381 CD2 HIS B 337 105 .891 45 .251 20, .282 1, .00 24 .42 BBBB C

ATOM 5382 NDl HIS B 337 106 .520 43 .953 21 .928 1 .00 2 .42 BBBB N

ATOM 5383 CEl HIS B 337 107 .445 43 .875 20 .988 1 .00 24 .42 BBBB C

ATOM 5384 NE2 HIS B 337 107 .088 44 .652 19. .981 1 .00 24 .42 BBBB N

ATOM 5385 C HIS B 337 103 .542 42 .824 22 .625 1 .00 32 .02 BBBB C

ATOM 5386 O HIS B 337 103 .387 42, .472 23, .793 1, .00 32 .02 BBBB O

ATOM 5387 N SER B 338 104 .064 42 .054 21 .693 1 .00 34 .26 BBBB N

ATOM 5388 CA SER B 338 104 .524 40 .682 21 .889 1 .00 34 .26 BBBB C

ATOM 5389 CB SER B 338 105 .255 40 .266 20 .607 1 .00 58 .52 BBBB C

ATOM 5390 OG SER B 338 105 .551 38 .887 20 .571 1 .00 58 .52 BBBB O

ATOM 5391 C SER B 338 105 .441 40 .503 23 .110 1 .00 34 .26 BBBB C

ATOM 5392 O SER B 338 105 .395 39 .493 23 .785 1 .00 34 .26 BBBB O

ATOM 5393 N PHE B 339 106 .277 41 .491 23 .391 1 .00 33 .48 BBBB N ATOM 5394 CA PHE B 339 107..194 41..406 24..521 1.,00 33..48 BBBB C

ATOM 5395 CB PHE B 339 108. .012 42, .696 24, .598 1. .00 28. .99 BBBB C

ATOM 5396 CG PHE B 339 108. .971 42. ,752 25. ,749 1. ,00 28. .99 BBBB C

ATOM 5397 GDI PHE B 339 110, .043 41. .871 25, .830 1, ,00 28. .99 BBBB C

ATOM 5398 CD2 PHE B 339 108, .818 43, .709 26, .738 1. .00 28. .99 BBBB C

ATOM 5399 CEl PHE B 339 110, .945 41, .943 26, .874 1. .00 28, .99 BBBB C

ATOM 5400 CE2 PHE B 339 109, .712 43. .794 27. .789 1. .00 28. . 99 BBBB C

ATOM 5401 CZ PHE B 339 110. .782 42. .911 27. .862 1. .00 28. .99 BBBB C

ATOM 5402 C PHE B 339 106. .492 41. .151 25. .857 1. .00 33. .48 BBBB C

ATOM 5403 O PHE B 339 107, .128 40, .798 26, .848 1. .00 33. .48 BBBB O

ATOM 5404 N PHE B 340 105, .179 41. .318 25, .894 1. .00 35, .07 BBBB N

ATOM 5405 CA PHE B 340 104. .445 41. .114 27, .135 1. .00 35. .07 BBBB C

ATOM 5406 CB PHE B 340 103. .545 42. .329 27. .404 1. ,00 28. .00 BBBB C

ATOM 5407 CG PHE B 340 104, .317 43. .590 27. .664 1, ,00 28. .00 BBBB C

ATOM 5408 CD1 PHE B 340 105. .182 43. .672 28. .754 1. .00 28. .00 BBBB C

ATOM 5409 CD2 PHE B 340 104. .234 44. .672 26. ,797 1. ,00 28. .00 BBBB C

ATOM 5410 CEl PHE B 340 105. .950 44. .806 28. .965 1. .00 28. .00 BBBB c

ATOM 5411 CE2 PHE B 340 105. .000 45. .806 27. .005 1. .00 28. .00 BBBB c

ATOM 5412 CZ PHE B 340 105, .857 45, .873 28, .087 1, .00 28, .00 BBBB c

ATOM 5413 c PHE B 340 103, .626 39, .833 27, .171 1, .00 35, .07 BBBB c

ATOM 5414 0 PHE B 340 102, .943 39, .566 28, .151 1. .00 35, .07 BBBB 0

ATOM 5415 N ASP B 341 103. ,705 39. .038 26, .110 1. .00 42. .09 BBBB N

ATOM 5416 CA ASP B 341 102, ,949 37, .787 26. .037 1. .00 42. .09 BBBB C

ATOM 5417 CB ASP B 341 103, .303 37, .025 24, .758 1. .00 42, .51 BBBB C

ATOM 5418 CG ASP B 341 102, .795 37, .711 23, .524 1. .00 42, .51 BBBB C

ATOM 5419 ODl ASP B 341 103, .046 37. .208 22. .408 1. .00 42. .51 BBBB O

ATOM 5420 OD2 ASP B 341 102. .142 38. .762 23. .670 1. .00 42. .51 BBBB 0

ATOM 5421 C ASP B 341 103, .125 36. .854 27, .236 1, .00 42, .09 BBBB c

ATOM 5422 O ASP B 341 102, .156 36, .328 27, .773 1. .00 42, .09 BBBB 0

ATOM 5423 N GLU B 342 104. .353 36 , .651 27, .675 1. .00 42, .26 BBBB N

ATOM 5424 CA GLU B 342 104. .540 35. .746 28. .784 1. .00 42. .26 BBBB C

ATOM 5425 CB GLU B 342 106. .030 35. .564 29, .079 1. .00 65, .13 BBBB C

ATOM 5426 CG GLU B 342 106, .584 36. .391 30, .200 1, .00 65, .13 BBBB C

ATOM 5427 CD GLU B 342 107, .699 35. .658 30, .920 1, .00 65, .13 BBBB C

ATOM 5428 OEl GLU B 342 108, .889 35, .832 30, .559 1, .00 65, .13 BBBB 0

ATOM 5429 OE2 GLU B 342 107, .370 34, .882 31, .843 1, .00 65, .13 BBBB 0

ATOM 5430 C GLU B 342 103, .775 36, .207 30, .016 1, .00 42, .26 BBBB c

ATOM 5431 O GLU B 342 103, .648 35, .463 30 .986 1, .00 42, .26 BBBB 0

ATOM 5432 N LEU B 343 103, .253 37, .430 29, .970 1, .00 41, .87 BBBB N

ATOM 5433 CA LEU B 343 102, .492 37, .972 31, .089 1, .00 41, .87 BBBB C

ATOM 5434 CB LEU B 343 102, .631 39, .493 31, .153 1, .00 39, .22 BBBB C

ATOM 5435 CG LEU B 343 104, .001 40, .106 31. .488 1, .00 39, .22 BBBB C ATOM 5436 CD1 LEU B 343 103.848 41.,607 31.,607 1.00 39.22 BBBB C

ATOM 5437 CD2 LEU B 343 104. ,549 39. ,551 32. ,801 1. 00 39. ,22 BBBB C

ATOM 5438 C LEU B 343 101. ,022 37, ,591 30. .961 1. 00 41. ,87 BBBB C

ATOM 5439 O LEU B 343 100. ,277 37, ,609 31, ,941 1. ,00 41, ,87 BBBB O

ATOM 5440 N ARG B 344 100. .616 37. ,247 29, .743 1. ,00 51, ,93 BBBB N

ATOM 5441 CA ARG B 344 99. .243 36. ,835 29. .469 1, ,00 51. ,93 BBBB C

ATOM 5442 CB ARG B 344 98. .789 37, .394 28. .123 1, ,00 45. ,83 BBBB C

ATOM 5443 CG ARG B 344 98. .452 38, .866 28, .203 1. .00 45. ,83 BBBB C

ATOM 5444 CD ARG B 344 98. .357 39, .513 26. .844 1. .00 45. .83 BBBB c

ATOM 5445 NE ARG B 344 99. .674 39. .704 26. .244 1. ,00 45. .83 BBBB N

ATOM 5446 CZ ARG B 344 100. ,046 40. .819 25. .631 1. .00 45. .83 BBBB C

ATOM 5447 NHl ARG B 344 99. ,202 41. ,831 25. .549 1. ,00 45. ,83 BBBB N

ATOM 5448 NH2 ARG B 344 101. ,245 40. .924 25. .088 1. ,00 45. .83 BBBB N

ATOM 5449 C ARG B 344 99. ,181 35. .323 29. .472 1, ,00 51. ,93 BBBB C

ATOM 5450 O ARG B 344 98. ,351 34, .712 28. .806 1, .00 51. ,93 BBBB O

ATOM 5451 N ASP B 345 100. .088 34. .732 30, .239 1, ,00 42. .61 BBBB N

ATOM 5452 CA ASP B 345 100, .194 33, .285 30, .385 1. .00 42. .61 BBBB C

ATOM 5453 CB ASP B 345 101. .661 32, .884 30, .227 1. .00 74. .07 BBBB C

ATOM 5454 CG ASP B 345 101. .854 31, .393 30, .065 1. ,00 74. .07 BBBB C

ATOM 5455 ODl ASP B 345 102. .432 30, .984 29, .027 1. .00 74. .07 BBBB O

ATOM 5456 OD2 ASP B 345 101, .434 30, .640 30, .975 1. .00 74, .07 BBBB O

ATOM 5457 C ASP B 345 99. ,678 32, .888 31, .775 1. ,00 42. .61 BBBB c

ATOM 5458 O ASP B 345 100. .143 33, .415 32, .789 1. .00 42. .61 BBBB O

ATOM 5459 N PRO B 346 98, .702 31, .963 31, .835 1. .00 50. .42 BBBB N

ATOM 5460 CD PRO B 346 98, .177 31, .205 30 .684 1. .00 42, .03 BBBB C

ATOM 5461 CA PRO B 346 98, .108 31 .484 33 .091 1, .00 50, .42 BBBB C

ATOM 5462 CB PRO B 346 97, .325 30 .249 32 .657 1, ,00 42, .03 BBBB C

ATOM 5463 CG PRO B 346 96, .931 30, .570 31 .253 1. .00 42. .03 BBBB C

ATOM 5464 C PRO B 346 99, .173 31, .124 34 .123 1, .00 50, .42 BBBB C

ATOM 5465 O PRO B 346 99, .028 31 .388 35 .323 1, .00 50, .42 BBBB 0

ATOM 5466 N ASN B 347 100 .246 30 .503 33 .645 1, .00 72, .53 BBBB N

ATOM 5467 CA ASN B 347 101, .360 30, .070 34 .502 1, .00 72, .53 BBBB C

ATOM 5468 CB ASN B 347 102 .198 28 .999 33 .830 1, .00 66, .53 BBBB C

ATOM 5469 CG ASN B 347 101 .416 27 .774 33 .492 1, .00 66 . .53 BBBB C

ATOM 5470 ODl ASN B 347 100 .736 27 .203 34 .343 1, .00 66 .53 BBBB O

ATOM 5471 ND2 ASN B 347 101, .499 27 .351 32 .235 1, .00 66 . .53 BBBB N

ATOM 5472 C ASN B 347 102 .342 31 .166 34 .814 1, .00 72 .53 BBBB C

ATOM 5473 O ASN B 347 103 .512 30 .880 34 .960 1, .00 72 .53 BBBB O

ATOM 5474 N VAL B 348 101 .926 32 .414 34 .902 1 .00 63 .92 BBBB N

ATOM 5475 CA VAL B 348 102 .944 33 .382 35 .196 1 .00 63 .92 BBBB C

ATOM 5476 CB VAL B 348 102 .773 34 .721 34 .397 1 .00 56 .24 BBBB C

ATOM 5477 CGI VAL B 348 101 .527 35 .508 34 .861 1 .00 56 .24 BBBB C ATOM 5478 CG2 VAL B 348 104.,036 35.,529 34.,567 1.,00 56.,24 BBBB C

ATOM 5479 C VAL B 348 103. ,145 33. ,634 36. ,673 1. 00 63. ,92 BBBB C

ATOM 5480 O VAL B 348 102. .212 33, ,950 37, ,415 1. ,00 63. ,92 BBBB O

ATOM 5481 N LYS B 349 104, ,399 33. ,501 37, ,094 1. ,00 52, ,90 BBBB N

ATOM 5482 CA LYS B 349 104. ,799 33. ,699 38. ,495 1. ,00 52. ,90 BBBB C

ATOM 5483 CB LYS B 349 105. ,207 32, ,357 39, .129 1. 00 64. ,60 BBBB C

ATOM 5484 CG LYS B 349 104, ,049 31, ,427 39. ,476 1, ,00 64. .60 BBBB C

ATOM 5485 CD LYS B 349 103. ,327 31, ,866 40, .733 1. ,00 64, ,60 BBBB C

ATOM 5486 CE LYS B 349 102, ,190 30. ,922 41, .073 1. ,00 64. ,60 BBBB C

ATOM 5487 NZ LYS B 349 101. ,535 31. ,386 42. ,328 1. ,00 64. ,60 BBBB N

ATOM 5488 C LYS B 349 105. ,957 34. , 666 38. ,674 1. ,00 52. ,90 BBBB C

ATOM 5489 O LYS B 349 106, .817 34. .808 37, .808 1. .00 52, .90 BBBB O

ATOM 5490 N LEU B 350 105. .975 35. .323 39, .824 1. .00 55. .29 BBBB N

ATOM 5491 CA LEU B 350 107. .071 36. .221 40, .102 1. .00 55, .29 BBBB C

ATOM 5492 CB LEU B 350 106, .681 37. .299 41. .098 1, ,00 53, ,87 BBBB C

ATOM 5493 CG LEU B 350 105, .567 38, .298 40, .815 1. .00 53, .87 BBBB C

ATOM 5494 CD1 LEU B 350 105, .456 39, ,247 42, .004 1. .00 53, .87 BBBB C

ATOM 5495 CD2 LEU B 350 105, .839 39. .042 39, .525 1. .00 53, .87 BBBB C

ATOM 5496 C LEU B 350 108. .172 35. .386 40, .732 1. .00 55. .29 BBBB C

ATOM 5497 O LEU B 350 107. .911 34. ,332 41. .336 1. .00 55. .29 BBBB O

ATOM 5498 N PRO B 351 109, .425 35, .845 40, .606 1. .00 61, .97 BBBB N

ATOM 5499 CD PRO B 351 109, .948 36, .941 39, .762 1. .00 41. .72 BBBB C

ATOM 5500 CA PRO B 351 110, .518 35, .073 41, .210 1. .00 61, .97 BBBB c

ATOM 5501 CB PRO B 351 111, .721 35, .992 41, .030 1. .00 41, .72 BBBB c

ATOM 5502 CG PRO B 351 111. .454 36. .615 39, ,678 1. .00 41, .72 BBBB c

ATOM 5503 C PRO B 351 110. .304 34, .705 42, .696 1, .00 61, .97 BBBB c

ATOM 5504 O PRO B 351 111. .091 33, .955 43. .285 1. ,00 61, .97 BBBB 0

ATOM 5505 N ASN B 352 109, .241 35. .234 43, .293 1. .00 69, .97 BBBB N

ATOM 5506 CA ASN B 352 108, .953 34, .970 44, .707 1. .00 69, .97 BBBB C

ATOM 5507 CB ASN B 352 109 .118 36, .251 45 .546 1, .00 57, .38 BBBB C

ATOM 5508 CG ASN B 352 108 .028 37, .285 45 .280 1, .00 57, .38 BBBB c

ATOM 5509 ODl ASN B 352 107 .165 37, .099 44 .412 1, .00 57, .38 BBBB 0

ATOM 5510 ND2 ASN B 352 108 .065 38, .383 46 .027 1. .00 57, .38 BBBB N

ATOM 5511 C ASN B 352 107 .578 34, .352 44 .906 1. .00 69, .97 BBBB C

ATOM 5512 O ASN B 352 106 .780 34 .763 45 .755 1, .00 69 .97 BBBB O

ATOM 5513 N GLY B 353 107 .334 33 .343 44 .083 1, .00 47 .53 BBBB N

ATOM 5514 CA GLY B 353 106 .098 32 .587 44 .112 1, .00 47 .53 BBBB C

ATOM 5515 C GLY B 353 104 .844 33 .361 44 .462 1, .00 47 .53 BBBB C

ATOM 5516 O GLY B 353 103 .833 32 .747 44 .801 1, .00 47 .53 BBBB O

ATOM 5517 N ARG B 354 104 .890 34 .692 44 .400 1 .00 72 .61 BBBB N

ATOM 5518 CA ARG B 354 103 .711 35 .494 44 .720 1, .00 72 .61 BBBB C

ATOM 5519 CB ARG B 354 104 .071 36 .776 45 .480 1 .00 83 .64 BBBB C ATOM 5520 CG ARG B 354 102.,911 37,.305 46.,318 1.,00 83..64 BBBB C

ATOM 5521 CD ARG B 354 103. ,326 38, ,397 47. ,285 1. ,00 83. ,64 BBBB C

ATOM 5522 NE ARG B 354 104. ,263 37. ,914 48. ,296 1. 00 83. ,64 BBBB N

ATOM 5523 CZ ARG B 354 104. ,647 38. ,625 49, ,351 1. ,00 83. ,64 BBBB C

ATOM 5524 NHl ARG B 354 104, ,170 39. ,852 49. .525 1, ,00 83. .64 BBBB N

ATOM 5525 NH2 ARG B 354 105. ,496 38. ,115 50. ,236 1. ,00 83, ,64 BBBB N

ATOM 5526 C ARG B 354 103. ,142 35. .860 43. ,368 1, ,00 72, ,61 BBBB C

ATOM 5527 O ARG B 354 103. ,839 36. .454 42, .546 1. ,00 72. .61 BBBB O

ATOM 5528 N ASP B 355 101. ,893 35. ,483 43, ,120 1. ,00 63. .19 BBBB N

ATOM 5529 CA ASP B 355 101. ,236 35. .782 41. .847 1. .00 63. .19 BBBB C

ATOM 5530 CB ASP B 355 99. ,724 35. .657 42. .018 1, .00 87. .97 BBBB C

ATOM 5531 CG ASP B 355 99. ,274 34. ,222 42. ,226 1. ,00 87. ,97 BBBB C

ATOM 5532 ODl ASP B 355 99. ,646 33. ,368 41, ,386 1, ,00 87. ,97 BBBB O

ATOM 5533 OD2 ASP B 355 98, ,546 33. .950 43. .217 1. ,00 87. ,97 BBBB O

ATOM 5534 C ASP B 355 101. ,531 37. ,160 41. .225 1. ,00 63, ,19 BBBB C

ATOM 5535 O ASP B 355 102, .059 38, .062 41. .874 1, .00 63. .19 BBBB 0

ATOM 5536 N THR B 356 101. .179 37. .320 39. .954 1, .00 46. .00 BBBB N

ATOM 5537 CA THR B 356 101. .371 38. .602 39. .289 1, ,00 46. .00 BBBB C

ATOM 5538 CB THR B 356 101. .340 38, .465 37, .750 1, .00 42, .30 BBBB C

ATOM 5539 OG1 THR B 356 100, .228 37, .657 37. .361 1, .00 42, .30 BBBB O

ATOM 5540 CG2 THR B 356 102, .616 37, .827 37. .252 1, .00 42. .30 BBBB C

ATOM 5541 C THR B 356 100, .248 39, .533 39, .725 1, .00 46. .00 BBBB C

ATOM 5542 O THR B 356 99, .158 39, .084 40. .067 1. .00 46. .00 BBBB O

ATOM 5543 N PRO B 357 100, .519 40, .841 39, .743 1. .00 48. .23 BBBB N

ATOM 5544 CD PRO B 357 101, .813 41, .479 39, .451 1, .00 52, .63 BBBB C

ATOM 5545 CA PRO B 357 99, ,512 41, .828 40, .140 1, .00 48, .23 BBBB C

ATOM 5546 CB PRO B 357 100, .243 43, .163 39, .989 1. .00 52, .63 BBBB C

ATOM 5547 CG PRO B 357 101, .688 42 .811 40, .153 1, .00 52. .63 BBBB C

ATOM 5548 C PRO B 357 98, .361 41 .724 39, .161 1, .00 48. .23 BBBB c

ATOM 5549 O PRO B 357 98 .444 40 .965 38 .194 1 .00 48 .23 BBBB O

ATOM 5550 N ALA B 358 97 .290 42 .471 39 .410 1 .00 44 .52 BBBB N

ATOM 5551 CA ALA B 358 96, .161 42, .466 38, .488 1, .00 44. .52 BBBB C

ATOM 5552 CB ALA B 358 9 .956 43 .177 39 .098 1 .00 33 .53 BBBB C

ATOM 5553 C ALA B 358 96 .675 43 .234 37 .283 1 .00 44 .52 BBBB C

ATOM 5554 O ALA B 358 97 .155 44 .351 37 .423 1 .00 44 .52 BBBB O

ATOM 5555 N LEU B 359 96 .592 42 .627 36 .107 1 .00 39 .83 BBBB N

ATOM 5556 CA LEU B 359 97 .074 43 .270 34 .897 1 .00 39 .83 BBBB C

ATOM 5557 CB LEU B 359 98 .290 42 .517 34 .363 1 .00 44 .10 BBBB C

ATOM 5558 CG LEU B 359 99 .404 42 .103 35 .328 1 .00 44 .10 BBBB c

ATOM 5559 CD1 LEU B 359 100 .176 40 .934 34 .730 1 .00 44 .10 BBBB c

ATOM 5560 CD2 LEU B 359 100 .330 43 .265 35 .609 1 .00 44 .10 BBBB c

ATOM 5561 C LEU B 359 96 .016 43 .316 33 .798 1 .00 39 .83 BBBB c ATOM 5562 O LEU B 359 96.201 44.006 32.793 1.00 39.83 BBBB O

ATOM 5563 N PHE B 360 94.901 42.610 33.984 1.00 42.47 BBBB N

ATOM 5564 CA PHE B 360 93.887 42.567 32.936 1.00 42.47 BBBB C

ATOM 5565 CB PHE B 360 93.740 41.127 32.467 1.00 44.76 BBBB C

ATOM 5566 CG PHE B 360 95.047 40.436 32.291 1.00 44.76 BBBB C

ATOM 5567 CD1 PHE B 360 95.476 39.492 33.214 1.00 44.76 BBBB C

ATOM 5568 CD2 PHE B 360 95.874 40.762 31.228 1.00 44.76 BBBB C

ATOM 5569 CEl PHE B 360 96.713 38.882 33.084 1.00 44.76 BBBB C

ATOM 5570 CE2 PHE B 360 97.116 40.155 31.089 1.00 44.76 BBBB C

ATOM 5571 CZ PHE B 360 97.536 39.214 32.020 1.00 44.76 BBBB C

ATOM 5572 C PHE B 360 92.503 43.145 33.172 1.00 42.47 BBBB C

ATOM 5573 O PHE B 360 91.640 43.038 32.298 1.00 42.47 BBBB O

ATOM 5574 N ASN B 361 92.276 43.754 34.328 1.00 45.01 BBBB N

ATOM 5575 CA ASN B 361 90.968 44.325 34.624 1.00 45.01 BBBB C

ATOM 5576 CB ASN B 361 90.759 44.390 36.128 1.00 52.54 BBBB C

ATOM 5577 CG ASN B 361 91.963 44.939 36.853 1.00 52.54 BBBB C

ATOM 5578 ODl ASN B 361 92.965 45.289 36.233 1.00 52.54 BBBB O

ATOM 5579 ND2 ASN B 361 91.879 45.010 38.173 1.00 52.54 BBBB N

ATOM 5580 C ASN B 361 90.862 45.716 34.041 1.00 45.01 BBBB C

ATOM 5581 O ASN B 361 90.743 46.689 34.789 1.00 45.01 BBBB O

ATOM 5582 N PHE B 362 90.919 45.805 32.709 1.00 51.52 BBBB N

ATOM 5583 CA PHE B 362 90.834 47.082 32.004 1.00 51.52 BBBB C

ATOM 5584 CB PHE B 362 91.191 46.916 30.525 1.00 49.13 BBBB C

ATOM 5585 CG PHE B 362 92.657 46.710 30.258 1.00 49.13 BBBB C

ATOM 5586 CD1 PHE B 362 93.238 45.453 30.390 1.00 49.13 BBBB C

ATOM 5587 CD2 PHE B 362 93.455 47.774 29.836 1.00 49.13 BBBB C

ATOM 5588 CEl PHE B 362 94.593 45.260 30.098 1.00 49.13 BBBB C

ATOM 5589 CE2 PHE B 362 94.807 47.588 29.545 1.00 49.13 BBBB C

ATOM 5590 CZ PHE B 362 95.375 46.332 29.674 1.00 49.13 BBBB C

ATOM 5591 C PHE B 362 89.433 47.680 32.086 1.00 51.52 BBBB C

ATOM 5592 O PHE B 362 88.443 46.950 32.111 1.00 51.52 BBBB O

ATOM 5593 N THR B 363 89.354 49.007 32.122 1.00 66.37 BBBB N

ATOM 5594 CA THR B 363 88.063 49.676 32.173 1.00 66.37 BBBB C

ATOM 5595 CB THR B 363 87.985 50.786 33.261 1.00 62.45 BBBB C

ATOM 5596 OG1 THR B 363 88.885 51.854 32.938 1.00 62.45 BBBB O

ATOM 5597 CG2 THR B 363 88.312 50.216 34.629 1.00 62.45 BBBB C

ATOM 5598 C THR B 363 87.763 50.321 30.841 1.00 66.37 BBBB C

ATOM 5599 O THR B 363 88.662 50.806 30.146 1.00 66.37 BBBB O

ATOM 5600 N THR B 364 86.480 50.305 30.502 1.00 64.34 BBBB N

ATOM 5601 CA THR B 364 85.930 50.881 29.279 1.00 64.34 BBBB C

ATOM 5602 CB THR B 364 84.451 51.216 29.517 1.00 61.30 BBBB C

ATOM 5603 OG1 THR B 364 84.064 50.746 30.822 1.00 61.30 BBBB O ATOM 5604 CG2 THR B 364 83.,569 50.,534 28,.481 1,,00 61,.30 BBBB C

ATOM 5605 C THR B 364 86. ,668 52, .168 28, .884 1, ,00 64, .34 BBBB C

ATOM 5606 O THR B 364 86. .939 52. .430 27. .709 1. ,00 64, .34 BBBB O

ATOM 5607 N GLN B 365 86. ,993 52. ,969 29. .885 1. ,00 52, .07 BBBB N

ATOM 5608 CA GLN B 365 87. ,691 54, ,243 29. .712 1. ,00 52. .07 BBBB C

ATOM 5609 CB GLN B 365 87. ,665 54, ,934 31. .073 1. ,00 84. .59 BBBB C

ATOM 5610 CG GLN B 365 88. ,707 55. ,985 31. .312 1. ,00 84, .59 BBBB C

ATOM 5611 CD GLN B 365 88. ,310 57. ,351 30. .791 1. ,00 84, .59 BBBB C

ATOM 5612 OEl GLN B 365 87. ,127 57. ,693 30, .727 1, ,00 84. .59 BBBB O

ATOM 5613 NE2 GLN B 365 89. ,307 58. ,155 30, .438 1, ,00 84, .59 BBBB N

ATOM 5614 C GLN B 365 89. .132 54. .076 29, .220 1, ,00 52, .07 BBBB C

ATOM 5615 O GLN B 365 89. ,597 54. ,747 28. .298 1. ,00 52, .07 BBBB O

ATOM 5616 N GLU B 366 89. ,820 53. ,172 29, .900 1. ,00 68. .05 BBBB N

ATOM 5617 CA GLU B 366 91. ,200 52. .823 29, .644 1. ,00 68. .05 BBBB C

ATOM 5618 CB GLU B 366 91. ,637 51. .833 30. .719 1. .00 67, .83 BBBB C

ATOM 5619 CG GLU B 366 93. ,106 51. .682 30. .909 1, ,00 67. .83 BBBB C

ATOM 5620 CD GLU B 366 93. ,426 51, .077 32, .263 1, .00 67, .83 BBBB C

ATOM 5621 OEl GLU B 366 94. ,403 50. .304 32. .359 1. ,00 67. .83 BBBB O

ATOM 5622 OE2 GLU B 366 92. ,703 51. .386 33, .236 1, ,00 67. .83 BBBB O

ATOM 5623 C GLU B 366 91, .372 52, .226 28, .239 1. ,00 68, .05 BBBB c

ATOM 5624 O GLU B 366 92. .483 52. .194 27. .689 1. .00 68, .05 BBBB 0

ATOM 5625 N LEU B 367 90, ,272 51. ,738 27, .670 1. ,00 63, .57 BBBB N

ATOM 5626 CA LEU B 367 90. .295 51, .158 26, .320 1. .00 63, .57 BBBB C

ATOM 5627 CB LEU B 367 89, .488 49. .858 26, .274 1, ,00 49, .36 BBBB C

ATOM 5628 CG LEU B 367 90, .045 48, .690 27, .083 1. .00 49, .36 BBBB C

ATOM 5629 CD1 LEU B 367 88. .946 47. .701 27, .424 1. .00 49, .36 BBBB C

ATOM 5630 CD2 LEU B 367 91. .155 48. .014 26, .297 1. ,00 49, .36 BBBB c

ATOM 5631 C LEU B 367 89, .736 52, .127 25, .269 1. .00 63 .57 BBBB c

ATOM 5632 O LEU B 367 89, .803 51, .868 24 .066 1, .00 63 .57 BBBB 0

ATOM 5633 N SER B 368 89. .205 53, .251 25. .731 1. . 00 64, .05 BBBB N

ATOM 5634 CA SER B 368 88. .645 54, .247 24, .840 1. ,00 64, .05 BBBB C

ATOM 5635 CB SER B 368 88, .413 55, .564 25, .589 1. .00 52 .59 BBBB c

ATOM 5636 OG SER B 368 89, .661 56 .094 26 .014 1, .00 52 .59 BBBB 0

ATOM 5637 C SER B 368 89 .531 54 .513 23 .621 1, .00 64 .05 BBBB c

ATOM 5638 O SER B 368 89, .017 54 .939 22 .587 1, ,00 64 .05 BBBB 0

ATOM 5639 N SER B 369 90, .847 54, .302 23 .701 1, .00 70 .41 BBBB N

ATOM 5640 CA SER B 369 91 .646 54 .568 22 .493 1, .00 70 .41 BBBB C

ATOM 5641 CB SER B 369 93 .145 54 .658 22 .803 1, .00 55 .59 BBBB C

ATOM 5642 OG SER B 369 93 .687 53 .439 23 .232 1, .00 55 .59 BBBB O

ATOM 5643 C SER B 369 91 .374 53 .532 21 .415 1 .00 70 .41 BBBB C

ATOM 5644 O SER B 369 90 .942 53 .910 20 .334 1 .00 70 .41 BBBB 0

ATOM 5645 N ASN B 370 91 .587 52 .246 21 .712 1 .00 61 .48 BBBB N ATOM 5646 CA ASN B 370 91 . 312 51 .173 20.740 1.,00 61..48 BBBB C

ATOM 5647 CB ASN B 370 92 . 619 50 . 640 20.117 1. ,00 86. .45 BBBB C

ATOM 5648 CG ASN B 370 92 .376 49 . 841 18.845 1. ,00 86. ,45 BBBB C

ATOM 5649 ODl ASN B 370 92 .270 48 . 613 18.872 1. ,00 86. .45 BBBB O

ATOM 5650 ND2 ASN B 370 92 .267 50.544 17.720 1. ,00 86. .45 BBBB N

ATOM 5651 C ASN B 370 90.495 50.023 21.338 1. ,00 61, .48 BBBB C

ATOM 5652 O ASN B 370 90.993 48.909 21.514 1. .00 61, ,48 BBBB O

ATOM 5653 N PRO B 371 89.201 50.271 21.603 1. ,00 68, .52 BBBB N

ATOM 5654 CD PRO B 371 88.465 51.456 21.123 1. ,00 52, .86 BBBB C

ATOM 5655 CA PRO B 371 88.271 49.289 22.184 1. .00 68, .52 BBBB C

ATOM 5656 CB PRO B 371 86.906 49.823 21.755 1. ,00 52, .86 BBBB C

ATOM 5657 CG PRO B 371 87.129 51.293 21.803 1. .00 52, .86 BBBB C

ATOM 5658 C PRO B 371 88.485 47.832 21.760 1. ,00 68. ,52 BBBB C

ATOM 5659 O PRO B 371 88.340 46.919 22.573 1. ,00 68. .52 BBBB O

ATOM 5660 N PRO B 372 88.862 47.592 20.493 1, ,00 63. ,59 BBBB N

ATOM 5661 CD PRO B 372 88.879 48.435 19.283 1. ,00 66. .58 BBBB C

ATOM 5662 CA PRO B 372 89.036 46.183 20.143 1, .00 63. .59 BBBB C

ATOM 5663 CB PRO B 372 88.784 46.174 18.643 1, .00 66. .58 BBBB C

ATOM 5664 CG PRO B 372 89.399 47.475 18.213 1. ,00 66. .58 BBBB C

ATOM 5665 C PRO B 372 90.347 45.496 20.503 1. .00 63. .59 BBBB C

ATOM 5666 O PRO B 372 90.520 44.300 20.236 1. .00 63. .59 BBBB O

ATOM 5667 N LEU B 373 91.291 46.226 21.079 1. .00 56. .25 BBBB N

ATOM 5668 CA LEU B 373 92.543 45.578 21.444 1. .00 56, ,25 BBBB C

ATOM 5669 CB LEU B 373 93.644 46.613 21.680 1. .00 47. .60 BBBB C

ATOM 5670 CG LEU B 373 94.221 47.310 20.445 1. ,00 47, .60 BBBB C

ATOM 5671 CD1 LEU B 373 95.296 48.281 20.867 1, .00 47, .60 BBBB C

ATOM 5672 CD2 LEU B 373 94.774 46.291 19.473 1. .00 47, ,60 BBBB C

ATOM 5673 C LEU B 373 92.330 44.731 22.698 1. .00 56, .25 BBBB C

ATOM 5674 O LEU B 373 93.254 44.068 23.168 1, .00 56 .25 BBBB O

ATOM 5675 N ALA B 374 91.102 44.746 23.219 1, .00 56 .17 BBBB N

ATOM 5676 CA ALA B 374 90.761 43.988 24.419 1. .00 56, .17 BBBB C

ATOM 5677 CB ALA B 374 89.327 44.286 24.838 1, .00 56 .37 BBBB C

ATOM 5678 C ALA B 374 90.938 42.486 24.192 1, .00 56 .17 BBBB C

ATOM 5679 O ALA B 374 91.155 41.730 25.142 1, .00 56 .17 BBBB O

ATOM 5680 N THR B 375 90.859 42.068 22.928 1, .00 64 .71 BBBB N

ATOM 5681 CA THR B 375 90.995 40.654 22.564 1. .00 64 .71 BBBB C

ATOM 5682 CB THR B 375 90.781 40.408 21.090 1, .00 91 .67 BBBB C

ATOM 5683 OG1 THR B 375 91.858 41.015 20.372 1, .00 91 .67 BBBB O

ATOM 5684 CG2 THR B 375 89.440 40.972 20.618 1. .00 91 .67 BBBB C

ATOM 5685 C THR B 375 92.394 40.127 22.834 1 .00 64 .71 BBBB C

ATOM 5686 O THR B 375 92.629 38.926 22.780 1 .00 64 .71 BBBB O

ATOM 5687 N ILE B 376 93.332 41.034 23.071 1, .00 52 .71 BBBB N

LΠ in LΠ LΠ in in LΠ LΠ LΠ Lπ LΠ LΠ LΠ in in m LΠ in in in LΠ LΠ in LΠ in LΠ LΠ in Lπ LΠ Ul in LΠ Lπ in LΠ Lπ 171 LΠ m in

-J -J -J -J -j J -0 -J -j -J -a -0 ~-a -J -0 -J -0 ~o -j ~J -J -a -0 CΛ CΛ cn CΛ cn cn CΛ cn cn CΛ CΛ C

DO CO to to to CO DO DO DO to H H H o o o o o o o o o o VO VD o VD VD vo vo VD vo VD CO C VD 00 •o CΛ in φ. 00 O o VD CO -0 CΛ LΠ Φ- 00 to o vo 03 -j CΛ m Φ- 00 to o VO oo CΛ m Φ> OJ to H o vo C

ffi ffi ffi ffi 13 13 13 13 13 13 13 13 13 13 13 13 13 13 H H H H H H X tr* X X tr* X X t* H H 1-1 H H H

H H H H H to X to to to X to to to to X X X X X tr* X X X X CO CO CO CO CO CO to CO X tr* t-^t t-< X X cn cn cn cn cn d O d d d o X to d O d d d d o o o CO CO CO CO CO CO a X X i ci ci i X to CO to CO CO CO t to to to to 03 to X 03 03 ω to to to 03 03 03 03 03 tr_¬ to to to 03 to 03 03 X to to 03 to 03 to to 03 03 03 to to to to t

OJ oo co oo oo 00 LO OJ 00 LO LO LO 0J LO 00 LO oo 00 io OJ J 00 00 oo oo co LO 00 co 00 0J 0J 00 0J 00 oo oo oo 00 LO LO O 00 co co co 03 CO 00 co co 00 00 03 -a -J -J ] -J -J -~a --a -O •o -a -J -o -J ~J -O I-¹ -¹ H H o o o o o o o vo vo vo o VD VD VD co CO CO CO co co co CO -o 1 1 1 -a cn cn CΛ CΛ cn CΛ c

VD VO VD VD VD oo vo O VD vo vo VD vo VO VO vo VD VD vo vo VD 00 VD vo vo VD VD VD VD VD VD o VO o VD vo vo vo vo VD V Φ- 00 CO H H VD o o o DO CO in φ. LO φ. LO CO VD H o DO 0J φ- φ. cn Φ- m Φ- Φ- φ.

CT. in in LΠ in -o LΠ φ. cn vo -a φ. cn LΠ en -O D 03 o 00 t-¹ 00 en 00 O CO ι φ. cn o 00 o φ. VD 00 cn in H Φ- VO -0 in o --a o H en in in H H H H LO vo to LΠ CO cn in φ. o VD φ. CO in σ. CO φ- CO DO in φ- 00 CΛ in 00 to cn VD H 00 LΠ 00 vo Φ- in O 00 -0 in o φ- oo 00 VD en vo 00 10 CO CΛ Φ- CO -J in o H φ- 00 VD 00 LO CO cn 03 D cn 00 03 Φ- -o VD φ. in C

LO OJ 0J LO 00 00 J OJ OJ LO LO LO OJ 00 00 OJ OJ 00 0J oo oo φ. φ. φ. φ. φ. φ. φ- φ> Φ- φ. Φ- Φ- φ. φ. φ. Φ. φ. φ- φ. Φ- Φ-

LO LO to LO 00 00 OJ OJ CO φ. Φ- φ. cn CΛ -0 CΛ cn 00 CO CO VD 00 to o o o H H LΠ σ. in Φ- DO CO o o H o φ. φ- CΛ DO -a H Π CO - o CO CO in o CΛ LO CO cn CO cn o o Φ- H VD in 00 φ- 00 H in H H 1 CO CO o -~a o VD CO cn

CO o φ- to o LΠ CO -o o to in LΠ φ. 03 o to CO 00 φ- en cn CO H 03 00 00 O DO 00 00 in φ. φ> --a vo O -J cn vo H LO 03 o OJ LO in co in cn 00 00 LΠ CO DO CO in Φ. oo in in m 03 DO -J cn Φ- vo to 03 vo to o CO cn O -o o

OJ OJ oo LO oo oo CO to to to CO CO CO CO CO CO O CO CO to to O DO DO DO CO CO to CO O to DO O CO CO CO CO to O CO to O to to o o VD CΛ CO 00 VD 00 O VD CO vo CΛ -j VD CO vo 03 03 00 -~a LΠ in m CΛ σ. in LΠ φ. VD o CO CO 00

00 φ- CO to CD CO VD Φ- cn in o H Φ- en CO o CO in φ. 00 -o H 00 φ. LO I-¹ to φ. φ- -0 LΠ in φ. H LΠ --a CO vo in LO OJ H CΛ o h-¹ Φ- -J en cn to en cn in in OJ o o en en φ. o VO in vo VD CΛ in CO vo cn LO LΠ CO - o CΛ LΠ LO co o to o VD o φ. to oo CO o co oo VD o o cn vo o VD cn 0J o LΠ 00 1 co 00 cn in 0o0 DO

H H H H H H H H H M H H H H H H H H I-¹ H H H H H H H H H H H H H H

O O o o O o o o o o o o o o o o o o O o o o o o o o o o o O o o o o o o o O o o O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o σ o o o o o O o o o o

CΛ cn CΛ 1 -0 CO 03 en cn co en oo CΛ en in in cn in cn in in φ. φ. φ- φ- in in φ- φ. Φ- Φ- Φ- φ. φ. φ- in in φ. Φ- φ. φ- LΠ O o o cn CΛ DO O σ o to o CO VD vo VD H VD o o 00 co LO 0J o o vo vo Φ- Φ- Φ- φ. vo VD O O in LΠ in m CO

O o o cn CΛ CΛ CΛ m in cn in cn H o o H o H 00 CO φ- φ. φ- φ. 00 00 in in DO to DO DO in in ^3 LO 00 00 oo 00 CO 00 in in φ- Φ- in in Φ- in φ. CΛ CΛ Φ. Φ. cn φ- cn 00 LO φ. Φ- φ. φ. CO LO CΛ en en CΛ -0 -o H H H H H H

tO tO D3 O3 tl3 O3 03 O3 O3 3 O3 O3 03 03 tO tO O3 03 O3 rxl rj3 3 O3 03 D3 O3 O3 W

O3 03 03 O3 O3 O3 tO tO tO 03 03 03 03 03 u3 03 D3 O3 td -0 tO 03 03 O3 03 O3 tO O3 O3 03 D3 O3 03 03 W D3 O3 O3 O3 O3 O3 D3 03 O3 O3 03 03 03 03 03 03 03 O3 O3 03 03 03 03 03 O3 O3 03 O3 O3 D3 O3 O3 O3 ω 03 03 03 03 03 ro 03 03 ro ro ro 03 03 03 U3 03 03 03 03 0d 03 ro 03 03 03 ffi 03 ro ro -0 -0 -U tO tύ 03 03

Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω -3 d Ω Ω Ω Ω Ω Ω -3 d Ω Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω O

ATOM 5730 NDl HIS B 381 94.,666 34.,132 33.,399 1..00 60.,08 BBBB N

ATOM 5731 CEl HIS B 381 95. ,745 34. .626 32. ,835 1. ,00 60. .08 BBBB C

ATOM 5732 NE2 HIS B 381 95, ,766 34. .251 31. ,563 1. ,00 60, .08 BBBB N

ATOM 5733 C HIS B 381 90, .764 34, .114 33. .266 1. ,00 76. .65 BBBB C

ATOM 5734 O HIS B 381 91. .240 34. .194 34. ,399 1, ,00 76. .65 BBBB O

ATOM 5735 N ALA B 382 89. .645 34. .731 32. .906 1, ,00 98. .31 BBBB N

ATOM 5736 CA ALA B 382 88, .884 35. .586 33. .806 1. ,00 98. .31 BBBB C

ATOM 5737 CB ALA B 382 89, .743 36, .771 34, .296 1. ,00 49, .86 BBBB C

ATOM 5738 C ALA B 382 87, .715 36. .055 32. .928 1. ,00 98. .31 BBBB C

ATOM 5739 O ALA B 382 86. .577 36. .216 33. .382 1, .00 98, .31 BBBB 0

ATOM 5740 N ALA B 383 88, .023 36, .237 31, .649 1. ,00 76. .83 BBBB N

ATOM 5741 CA ALA B 383 87. .055 36. .586 30. .613 1. ,00 76. .83 BBBB C

ATOM 5742 CB ALA B 383 86. ,149 37. ,784 30. .997 1. ,00 57. ,80 BBBB C

ATOM 5743 C ALA B 383 87. ,816 36. .875 29. .340 1. ,00 76. ,83 BBBB C

ATOM 5744 O ALA B 383 87. .427 36. .454 28. .259 1. .00 76. .83 BBBB O

ATOM 5745 N ALA B 510 129. .804 77, ,388 27. .310 1. .00 87. .25 BBBB N

ATOM 5746 CA ALA B 510 128. .494 77. ,595 26. .706 1. ,00 87. .25 BBBB C

ATOM 5747 CB ALA B 510 128. .019 76. .273 26. .039 1. ,00 59. .06 BBBB C

ATOM 5748 C ALA B 510 127. ,439 78. .053 27. .721 1. .00 87. .25 BBBB C

ATOM 5749 O ALA B 510 127, .747 78. .433 28, .848 1. ,00 87. .25 BBBB O

ATOM 5750 N ASP B 511 126. .206 78. .114 27. .231 1, .00 86. .74 BBBB N

ATOM 5751 CA ASP B 511 124, .988 78, .400 27, .991 1, .00 86, .74 BBBB C

ATOM 5752 CB ASP B 511 124, .620 79, .850 28, .245 1. .00 85. .97 BBBB C

ATOM 5753 CG ASP B 511 123, .335 79, .913 29, .037 1. .00 85, .97 BBBB C

ATOM 5754 ODl ASP B 511 122, .698 80, .978 29, .199 1. .00 85, .97 BBBB O

ATOM 5755 OD2 ASP B 511 122, .965 78, .807 29, .502 1. .00 85, ,97 BBBB 0

ATOM 5756 C ASP B 511 124, .010 77, .864 26 .987 1. .00 86, .74 BBBB c

ATOM 5757 O ASP B 511 123 .492 78 .603 26 .161 1, .00 86 .74 BBBB 0

ATOM 5758 N PRO B 512 123 .813 76 .536 27 .018 1, .00 97 .60 BBBB N

ATOM 5759 CD PRO B 512 124. .577 75. .841 28 .064 1, .00 77, .58 BBBB C

ATOM 5760 CA PRO B 512 123 .017 75 .542 26 .291 1, .00 97 .60 BBBB C

ATOM 5761 CB PRO B 512 123 .363 74 .245 27 .021 1, .00 77 .58 BBBB c

ATOM 5762 CG PRO B 512 124 .744 74 .509 27 .449 1, .00 77 .58 BBBB c

ATOM 5763 C PRO B 512 121 .519 75 .715 26 .138 1, .00 97 .60 BBBB c

ATOM 5764 O PRO B 512 120 .966 75 .183 25 .181 1. .00 97 .60 BBBB 0

ATOM 5765 N ALA B 513 120 .862 76 .422 27 .061 1, .00 70 .05 BBBB N

ATOM 5766 CA ALA B 513 119 .423 76 .626 26 .947 1. .00 70 .05 BBBB C

ATOM 5767 CB ALA B 513 118 .830 77 .149 28 .280 1, .00 37 .59 BBBB C

ATOM 5768 C ALA B 513 119 .274 77 .654 25 .824 1. .00 70 .05 BBBB C

ATOM 5769 O ALA B 513 118 .471 77 .475 24 .895 1 .00 70 .05 BBBB 0

ATOM 5770 N ALA B 514 120 .093 78 .706 25 .903 1 .00 58 .76 BBBB N

ATOM 5771 CA ALA B 514 120 .141 79 .793 24 .918 1, .00 58 .76 BBBB C ATOM 5772 CB ALA B 514 121.,006 80.,943 25.,466 1.,00 58..22 BBBB C

ATOM 5773 C ALA B 514 120, ,731 79. .299 23. ,591 1. .00 58. ,76 BBBB C

ATOM 5774 O ALA B 514 120. .120 79, .468 22. ,545 1, ,00 58. .76 BBBB O

ATOM 5775 N LEU B 515 121. ,918 78. .693 23. ,650 1, .00 52. .34 BBBB N

ATOM 5776 CA LEU B 515 122. ,579 78. ,166 22. .459 1, ,00 52. .34 BBBB C

ATOM 5777 CB LEU B 515 123, ,841 77, ,388 22. ,856 1, .00 61. .26 BBBB C

ATOM 5778 CG LEU B 515 124, ,578 76. .632 21. ,740 1, .00 61. .26 BBBB C

ATOM 5779 CD1 LEU B 515 125, ,007 77. .606 20. ,640 1. ,00 61. ,26 BBBB C

ATOM 5780 CD2 LEU B 515 125, ,784 75. .901 22, ,323 1. .00 61. .26 BBBB C

ATOM 5781 C LEU B 515 121. ,632 77, .267 21, .652 1. ,00 52, .34 BBBB C

ATOM 5782 O LEU B 515 121. .682 77. .237 20. .422 1. .00 52. .34 BBBB O

ATOM 5783 N LEU B 516 120. .755 76. .560 22. ,357 1. ,00 49. .95 BBBB N

ATOM 5784 CA LEU B 516 119. .791 75. .659 21. ,734 1. ,00 49. .95 BBBB C

ATOM 5785 CB LEU B 516 119. .199 74, .711 22. .782 1, ,00 57, .47 BBBB C

ATOM 5786 CG LEU B 516 118. .338 73. .564 22. .249 1. .00 57. .47 BBBB C

ATOM 5787 GDI LEU B 516 119. ,118 72, .766 21, .228 1, ,00 57, .47 BBBB C

ATOM 5788 CD2 LEU B 516 117. .894 72, .686 23. .399 1, .00 57, .47 BBBB c

ATOM 5789 C LEU B 516 118. ,667 76, .451 21. ,060 1. .00 49. .95 BBBB c

ATOM 5790 O LEU B 516 118. .206 76, ,092 19, .981 1. .00 49. .95 BBBB 0

ATOM 5791 N ALA B 517 118, .245 77, .535 21, .702 1. .00 59, .80 BBBB N

ATOM 5792 CA ALA B 517 117, .203 78, .390 21, .164 1, .00 59, .80 BBBB C

ATOM 5793 CB ALA B 517 116. .895 79, .519 22. .146 1. .00 48, .91 BBBB c

ATOM 5794 C ALA B 517 117, .678 78, .957 19, .818 1. .00 59, .80 BBBB c

ATOM 5795 O ALA B 517 116, .928 78. .951 18, ,840 1, .00 59, .80 BBBB 0

ATOM 5796 N GLN B 518 118, .930 79, .418 19. .766 1. .00 48, .06 BBBB N

ATOM 5797 CA GLN B 518 119, .507 79, .987 18. ,545 1, .00 48, .06 BBBB C

ATOM 5798 CB GLN B 518 120, .898 80. .563 18, .817 1. .00 56, .16 BBBB C

ATOM 5799 CG GLN B 518 120, .824 81 .921 19, .438 1, .00 56, .16 BBBB c

ATOM 5800 CD GLN B 518 120, .192 82. .931 18, .503 1. .00 56, .16 BBBB c

ATOM 5801 OEl GLN B 518 119, .585 82 .583 17, .493 1. .00 56, .16 BBBB 0

ATOM 5802 NE2 GLN B 518 120 .334 84 .191 18, .838 1, .00 56 .16 BBBB N

ATOM 5803 C GLN B 518 119, .601 79 .017 17, .397 1, .00 48, .06 BBBB C

ATOM 5804 0 GLN B 518 119 .209 79 .341 16, .271 1, .00 48 .06 BBBB 0

ATOM 5805 N LEU B 519 120 .125 77 .832 17 .686 1, .00 56 .16 BBBB N

ATOM 5806 CA LEU B 519 120 .278 76 .815 16, .676 1, .00 56 .16 BBBB C

ATOM 5807 CB LEU B 519 121 .052 75 .640 17 .260 1, .00 55 .44 BBBB C

ATOM 5808 CG LEU B 519 122 .440 76 .077 17 .705 1 .00 55 .44 BBBB c

ATOM 5809 CD1 LEU B 519 123 .192 74 .887 18 .249 1 .00 55 .44 BBBB c

ATOM 5810 CD2 LEU B 519 123 .179 76 .701 16 .535 1 .00 55 .44 BBBB c

ATOM 5811 C LEU B 519 118 .908 76 .388 16 .177 1 .00 56 .16 BBBB c

ATOM 5812 O LEU B 519 118 .759 76 .067 14 .998 1 .00 56 .16 BBBB 0

ATOM 5813 N VAL B 520 117 .908 76 .415 17 .060 1 .00 50 .00 BBBB N ATOM 5814 CA VAL B 520 116.,542 76.,022 16.,682 1.,00 50.,00 BBBB C

ATOM 5815 CB VAL B 520 115. 685 75. ,697 17. ,922 1. 00 29. 63 BBBB C

ATOM 5816 CGI VAL B 520 114. ,223 75. ,478 17, ,531 1. ,00 29, ,63 BBBB C

ATOM 5817 CG2 VAL B 520 116. ,224 74. ,454 18. ,584 1. ,00 29. ,63 BBBB C

ATOM 5818 C VAL B 520 115. ,853 77. ,120 15, ,895 1. ,00 50. ,00 BBBB C

ATOM 5819 O VAL B 520 115. ,013 76. ,853 15. ,023 1. .00 50. .00 BBBB O

ATOM 5820 N LEU B 521 116. ,216 78, ,357 16. ,217 1. ,00 72. ,05 BBBB N

ATOM 5821 CA LEU B 521 115, ,645 79. ,525 15. ,571 1, ,00 72. ,05 BBBB C

ATOM 5822 CB LEU B 521 115. ,719 80. ,732 16, ,508 1, ,00 42. ,77 BBBB C

ATOM 5823 CG LEU B 521 114. ,717 80, ,774 17. ,667 1. ,00 42. ,77 BBBB C

ATOM 5824 CD1 LEU B 521 114, ,929 82. .016 18. ,505 1. ,00 42. ,77 BBBB C

ATOM 5825 CD2 LEU B 521 113, .318 80. ,791 17. ,112 1, ,00 42. ,77 BBBB C

ATOM 5826 C LEU B 521 116. ,346 79. .832 14, .265 1, .00 72. .05 BBBB C

ATOM 5827 O LEU B 521 115. .736 80. .384 13, .359 1, .00 72. .05 BBBB O

ATOM 5828 N SER B 522 117. ,621 79. ,474 14. ,163 1. ,00 57. ,24 BBBB N

ATOM 5829 CA SER B 522 118. ,373 79, .720 12. ,937 1. ,00 57. .24 BBBB C

ATOM 5830 CB SER B 522 119, ,825 80. .102 13. .250 1. .00 37. ,83 BBBB c

ATOM 5831 OG SER B 522 120, ,493 79. .088 13. .979 1. .00 37. ,83 BBBB 0

ATOM 5832 C SER B 522 118, .363 78, .497 12, .028 1. .00 57. .24 BBBB c

ATOM 5833 O SER B 522 118. .763 78. ,579 10. .868 1. .00 57. .24 BBBB 0

ATOM 5834 N GLY B 523 117, .907 77, .367 12, .558 1, .00 50, .22 BBBB N

ATOM 5835 CA GLY B 523 117, .872 76, .153 11, .772 1. .00 50. .22 BBBB C

ATOM 5836 C GLY B 523 119. .256 75. .590 11, .518 1, .00 50. .22 BBBB c

ATOM 5837 O GLY B 523 119. .589 75. .294 10. .380 1. .00 50. .22 BBBB 0

ATOM 5838 N ASN B 524 120, .061 75, .442 12, .571 1. .00 52, .50 BBBB N

ATOM 5839 CA ASN B 524 121, .421 74 .899 12 .457 1, .00 52, .50 BBBB C

ATOM 5840 CB ASN B 524 122, .452 76, .016 12, .669 1, .00 62, .41 BBBB C

ATOM 5841 CG ASN B 524 122, .373 77, .088 11, .612 1. .00 62, .41 BBBB C

ATOM 5842 ODl ASN B 524 122, .725 76 .863 10 .457 1, .00 62 .41 BBBB O

ATOM 5843 ND2 ASN B 524 121 .899 78 .266 11 .999 1 .00 62 .41 BBBB N

ATOM 5844 C ASN B 524 121, .699 73, .772 13, .467 1, .00 52, .50 BBBB C

ATOM 5845 O ASN B 524 122 .835 73 .296 13, .590 1, .00 52 .50 BBBB O

ATOM 5846 N LEU B 525 120 .656 73 .364 14 .186 1 .00 56 .94 BBBB N

ATOM 5847 CA LEU B 525 120 .746 72 .320 15 .203 1 .00 56 .94 BBBB C

ATOM 5848 CB LEU B 525 119 .342 72 .053 15 .767 1, .00 36 .61 BBBB C

ATOM 5849 CG LEU B 525 119 .224 70 .965 16 .846 1 .00 36 .61 BBBB c

ATOM 5850 CD1 LEU B 525 120 .139 71 .292 18 .008 1 .00 36 .61 BBBB c

ATOM 5851 CD2 LEU B 525 117 .781 70 .853 17 .320 1 .00 36 .61 BBBB c

ATOM 5852 C LEU B 525 121 .387 70 .989 14 .738 1 .00 56 .94 BBBB c

ATOM 5853 O LEU B 525 122 .419 70 .558 15 .277 1 .00 56 .94 BBBB 0

ATOM 5854 N ILE B 526 120 .775 70 .349 13 .744 1 .00 49 .62 BBBB N

ATOM 5855 CA ILE B 526 121 .270 69 .079 13 .235 1 .00 49 .62 BBBB C ATOM 5856 CB ILE B 526 120.368 68.,560 12.,102 1.00 39.56 BBBB C

ATOM 5857 CG2 ILE B 526 120. ,694 67. ,113 11. ,772 1. ,00 39. ,56 BBBB C

ATOM 5858 CGI ILE B 526 118. 908 68. ,669 12. ,531 1. 00 39. ,56 BBBB C

ATOM 5859 GDI ILE B 526 117. ,925 68. ,203 11. .497 1. ,00 39. ,56 BBBB C

ATOM 5860 C ILE B 526 122. 700 69. ,214 12. ,729 1. 00 49. ,62 BBBB C

ATOM 5861 O ILE B 526 123. ,511 68, .304 12. ,908 1. ,00 49, ,62 BBBB O

ATOM 5862 N LYS B 527 123. 014 70. ,347 12. ,103 1. 00 48. ,34 BBBB N

ATOM 5863 CA LYS B 527 124. ,371 70. ,593 11. .591 1. ,00 48, ,34 BBBB C

ATOM 5864 CB LYS B 527 124. 418 71. ,859 10. ,747 1. ,00 80. ,24 BBBB C

ATOM 5865 CG LYS B 527 124. ,052 71. ,689 9. .303 1. ,00 80. ,24 BBBB C

ATOM 5866 CD LYS B 527 124, .150 73, .037 8. .610 1, ,00 80. .24 BBBB C

ATOM 5867 CE LYS B 527 123. ,108 74. .048 9. .111 1. ,00 80. ,24 BBBB C

ATOM 5868 NZ LYS B 527 123, .321 75. .399 8. .495 1. ,00 80. .24 BBBB N

ATOM 5869 C LYS B 527 125, .395 70. .763 12. .697 1. ,00 48, .34 BBBB C

ATOM 5870 O LYS B 527 126, ,553 70, .396 12. .537 1. .00 48. .34 BBBB O

ATOM 5871 N GLU B 528 124. ,962 71, .352 13. .804 1. .00 47, .58 BBBB N

ATOM 5872 CA GLU B 528 125. .827 71, .591 14. .943 1, .00 47. .58 BBBB C

ATOM 5873 CB GLU B 528 125. .241 72. .723 15. .783 1, .00 56. .41 BBBB C

ATOM 5874 CG GLU B 528 126. ,064 73, .119 16, ,997 1. .00 56, .41 BBBB C

ATOM 5875 CD GLU B 528 127, ,495 73, .496 16, .649 1. .00 56. .41 BBBB C

ATOM 5876 OEl GLU B 528 127, .742 73, .829 15, .471 1, .00 56, .41 BBBB O

ATOM 5877 OE2 GLU B 528 128. .362 73, .470 17. .556 1. .00 56, .41 BBBB 0

ATOM 5878 C GLU B 528 125, .963 70, .319 15, .774 1, .00 47, .58 BBBB c

ATOM 5879 O GLU B 528 126, .970 70, .107 16, .450 1, .00 47, .58 BBBB 0

ATOM 5880 N ALA B 529 124, .946 69, .469 15, .719 1. .00 46, .54 BBBB N

ATOM 5881 CA ALA B 529 124, .974 68, .220 16, ,468 1, .00 46, .54 BBBB C

ATOM 5882 CB ALA B 529 123, .569 67. .680 16, .629 1, .00 44, .46 BBBB C

ATOM 5883 C ALA B 529 125, .847 67, .201 15, .746 1. .00 46, .54 BBBB C

ATOM 5884 O ALA B 529 126, .664 66 .511 16 .362 1, .00 46, .54 BBBB O

ATOM 5885 N VAL B 530 125, .671 61 .117 14 .432 1, .00 59, .71 BBBB N

ATOM 5886 CA VAL B 530 126 .435 66 .185 13 .614 1 .00 59 .71 BBBB C

ATOM 5887 CB VAL B 530 125 .959 66 .220 12 .144 1, .00 39 .25 BBBB C

ATOM 5888 CGI VAL B 530 126 .979 65 .530 11 .257 1 .00 39 .25 BBBB C

ATOM 5889 CG2 VAL B 530 124 .585 65 .547 12 .019 1, .00 39 .25 BBBB C

ATOM 5890 C VAL B 530 127 .912 66 .537 13 .646 1 .00 59 .71 BBBB C

ATOM 5891 O VAL B 530 128 .777 65 .668 13 .540 1 .00 59 .71 BBBB O

ATOM 5892 N ARG B 531 128 .195 67 .821 13 .804 1 .00 59 .34 BBBB N

ATOM 5893 CA ARG B 531 129 .568 68 .285 13 .813 1 .00 59 .34 BBBB C

ATOM 5894 CB ARG B 531 129 .574 69 .802 13 .649 1 .00 81 .53 BBBB C

ATOM 5895 CG ARG B 531 130 .824 70 .363 13 .014 1 .00 81 .53 BBBB c

ATOM 5896 CD ARG B 531 131 .851 70 .736 14 .064 1 .00 81 .53 BBBB c

ATOM 5897 NE ARG B 531 131 .210 71 .372 15 .210 1 .00 81 .53 BBBB N ATOM 5898 CZ ARG B 531 131.,837 72,.141 16.,090 1.,00 81..53 BBBB C

ATOM 5899 NHl ARG B 531 133, ,134 72. .385 15, ,948 1. ,00 81. ,53 BBBB N

ATOM 5900 NH2 ARG B 531 131. ,167 72. .642 17, ,125 1. ,00 81. ,53 BBBB N

ATOM 5901 C ARG B 531 130. ,326 67. ,857 15. ,061 1. ,00 59, ,34 BBBB C

ATOM 5902 O ARG B 531 131. ,406 67. ,270 14. ,963 1. ,00 59. ,34 BBBB O

ATOM 5903 N ARG B 532 129. ,755 68. ,132 16, ,232 1. ,00 53. ,31 BBBB N

ATOM 5904 CA ARG B 532 130, ,393 67. ,779 17, ,499 1. ,00 53. ,31 BBBB C

ATOM 5905 CB ARG B 532 129. ,505 68. ,177 18, ,661 1. ,00 69, .53 BBBB C

ATOM 5906 CG ARG B 532 129, .092 69. .613 18, ,644 1. ,00 69. ,53 BBBB C

ATOM 5907 CD ARG B 532 128. ,393 69. .933 19. .928 1. ,00 69. .53 BBBB C

ATOM 5908 NE ARG B 532 128. ,011 71. .331 19. .994 1, .00 69, .53 BBBB N

ATOM 5909 CZ ARG B 532 127. .676 71. .942 21. .119 1. ,00 69 . .53 BBBB C

ATOM 5910 NHl ARG B 532 127. .683 71. .269 22. ,264 1, .00 69. .53 BBBB N

ATOM 5911 NH2 ARG B 532 127, .333 73, .220 21. ,099 1, .00 69. .53 BBBB N

ATOM 5912 C ARG B 532 130. .645 66, .288 17. .573 1. .00 53. .31 BBBB C

ATOM 5913 O ARG B 532 131. .490 65, .810 18. .322 1. .00 53. .31 BBBB O

ATOM 5914 N LEU B 533 129. .874 65, .555 16. .793 1. .00 61, .63 BBBB N

ATOM 5915 CA LEU B 533 129, .986 64, .112 16, .738 1, .00 61, .63 BBBB C

ATOM 5916 CB LEU B 533 128. ,846 63. .572 15. .865 1. .00 57. .73 BBBB C

ATOM 5917 CG LEU B 533 128, .590 62. .067 15. .719 1. .00 57. .73 BBBB C

ATOM 5918 CD1 LEU B 533 128. .456 61, .406 17, .083 1. .00 57. .73 BBBB C

ATOM 5919 CD2 LEU B 533 127. .308 61, .872 14. .926 1. .00 57, .73 BBBB C

ATOM 5920 C LEU B 533 131. .341 63, .657 16. .201 1. .00 61. ,63 BBBB C

ATOM 5921 O LEU B 533 132. .114 62, .981 16. .882 1. .00 61, .63 BBBB O

ATOM 5922 N HIS B 534 131. .622 64, .032 14. .966 1. .00 95. .13 BBBB N

ATOM 5923 CA HIS B 534 132, .871 63, .674 14, .283 1. .00 95, .13 BBBB C

ATOM 5924 CB HIS B 534 132, ,730 64, .118 12. .820 1. .00 86, .49 BBBB C

ATOM 5925 CG HIS B 534 131, ,612 63, .436 12, .090 1. .00 86, .49 BBBB C

ATOM 5926 CD2 HIS B 534 131, ,114 62 .186 12, .221 1, .00 86, .49 BBBB C

ATOM 5927 NDl HIS B 534 130, .885 64. .032 11, .074 1, .00 86, .49 BBBB N

ATOM 5928 CEl HIS B 534 129, .989 63 .176 10, .619 1, .00 86, .49 BBBB C

ATOM 5929 NE2 HIS B 534 130. .106 62 .048 11, .299 1, .00 86, .49 BBBB N

ATOM 5930 C HIS B 534 134 .139 64 .288 14 .893 1, .00 95 .13 BBBB C

ATOM 5931 o - HIS B 534 135 .247 63 .956 14 .491 1 .00 95 .13 BBBB O

ATOM 5932 N SER B 535 133, .974 65 .151 15, .890 1, .00 99, .67 BBBB N

ATOM 5933 CA SER B 535 135, .114 65 .848 16, .522 1, ,00 99 .67 BBBB C

ATOM 5934 CB SER B 535 134 .606 66 .872 17, .536 1, .00 58 .83 BBBB C

ATOM 5935 OG SER B 535 133 .529 67 .628 17 .007 1, .00 58 .83 BBBB 0

ATOM 5936 C SER B 535 136 .168 64 .959 17 .209 1 .00 99 .67 BBBB c

ATOM 5937 O SER B 535 136 .604 63 .969 16 .560 1 .00 99 .67 BBBB 0

ATOM 5938 OT SER B 535 136 .554 65 .291 18 .368 1 .00 58 .83 BBBB 0

TER 5939 SER B 535 BBBB

in LΠ in in in Lπ in in in in m in in in LΠ in LΠ in in in LΠ in in LΠ in LΠ in LΠ LΠ in in Lπ in in LΠ in in in in in L

VD VD VD vo vo vo VD o vo vo vo VD VD vo vo vo vo VD VD vo vo vo VD VD vo VD VD VD vo o VD VD vo vo VD vo o VD V 03 03 -J -0 -j -o -J -a -j -0 -j cn cn cn cn en in in in in in in LΠ in in in Φ- φ. φ. Φ. φ. Φ- Φ. Φ- φ. Φ o vo 03 cn in φ. L0 o oo -a m H o vo co -0 LΠ φ. oo CO o oo 1 cn in Φ- 00 to d d CQ d d d d cn d d d d cn d d d d d d d d d d d d d d d d d d d d d d d d d d d to φ. 00 Φ- to cn cn cn cn CQ cn cn cn cn cn cn cn cn ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d Φ- Φ- Φ- Φ- Φ. Φ- Φ- Φ- Φ- Φ- Φ- Φ- ffi ffi ffi ffi ffi ffi ffi |ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi cn cn cn cn cn CQ cn cn cn cn cn cn cn si si s: Si i Si i ≤ S! si Si Si Si SJ SI i s; si Si s; ; Si i Si si Si Si Si s

H> o o o cn cn o o o o o o o o to to t H H¹

H H H H H H I-¹ f-> M H 00 oo en 00 to o VO 00 •O cn in Φ- 00 O vo 00 cn in Φ- 00 CO

H H H H H H H H H H H

H¹ O O O co VD vo o vo O o o VO o o VO vo o o VD VO o vo o vo o O o VD so oo o V CΛ to LO DO vo H o o o H H vo 00 o 03 OJ en 1 m -O Φ- vo 00 O vo φ- VD CΛ C 00 00 O VD cn oo o O Φ- 00 o -j H φ. σi 03 l-ⁱ O o 00 oo in to vo co φ. o co 03 O VD CΛ φ- 00 -J cn in φ. VD CO o H to CO CO 03 03 -O φ. o in 00 in o 00 o I-¹ o CO -o VD VD L en H -J co cn vo H¹ H LO en en m φ. in O φ. 00 00 DO to OJ CO oo in m in Φ- to LO O v

-o -0 -0 H H H H to en CO -J Φ- cn CO to Φ- to in Lπ LO to en 1 H H in - Φ- φ. φ. cn en m en O 03 o VD vo to φ. in co in DO O oo oo φ. 03 LΠ in CO 00 CO cn oo cn o CΛ 00 i

O VO LΠ in CO in m -a φ. oo LΠ to CO Φ. l-¹ 0J en I-¹ to LΠ φ. co φ. l-> oo 00 LO LO to 00

03 in CO -J o oo cn H vo OJ φ. to cn o 00 -J o co vo oo CO LΠ o in o -J cn vo O CO O in vo ^■o cn 03 LO CO 00 H O LO -j -0 00 oo in o en CO CO LO φ. LΠ oo φ. VD o o vo o -J VD 00 cn to OJ DO H H CO Φ. DO 1 CO O 1 CO 1 Π O L

03 σ VO φ. Φ- CO Φ- Φ- en in Φ- in in CΛ CO 1 H LΠ DO CO in vo o in Φ- DO vo H cn -J o 0J o o -a C cn vo 03 VD CO 03 DO in in •-a 03 o o -J -o to vo CO CO o •o H 00 LO o vo o cn en Φ- L

H o φ. VD en in VD -J co vo cn 00 CO O DO H en Φ. φ. Φ- Lo to 00 H φ. VO H co cn oo φ. φ. VO 03 LΠ 00 H 03 Φ- 00 φ. in en I-¹ o o H H LΠ φ. en o Φ> CO (-¹ o LΠ φ. co vo 00 03 -J

H H H H H H H H H H H H H H H H H H¹ H H H H H H H H H H H H H H H H H H H H H

O O o o o o o O O o o o o o o o o o O o o O o o O O o O o O o o o o o o o O o o o o o o o o o o o O O o o o o o o o O o o O O o o o O o o σ o o o o o o

00 ~0 φ. φ. φ. φ. φ. LO LO 00 φ. φ- 00 to Lπ O φ. CO in DO LO DO in in φ. Φ- oo φ. 00 φ. Φ- φ. cn cn cn o o o o O o o o o o CΛ O O 00 0J en CO o φ- CΛ -0 to OJ -J OJ CO H LΠ φ. CΛ OJ in in in

LΠ in in CΛ cn en en CΛ co 03 CD 03 03 O LO H CO o φ. 03 CO CO CO vo cn CΛ 0J in en 03 φ. VD oo o cn O

O O o I-¹ H H H o o O o o O 03 CO to vo H o H LΠ CO VD vo oo CO φ- -0 σ oo -~a 00 in Φ- oo

CQ CO cn cn cn cn cn cn cn cn cn cn CQ 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 CO CO CO CO to O CO O CO CO O to CO CO CO to CO O to CO CO O CO CO CO CO fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc c fc fc fc X X X X X X t^i 8 X X X X X X i*i X X δ f

X X X X X d d tn d d d d cn d d d d CQ d d d d d d d d d d d d d d d d d d d d d d d d d d d d

ATOM 5982 03 S04 SlOOl 104.193 75.831 29.810 1.00 36.50 S 0

ATOM 5983 04 S04 SlOOl 101.749 75.795 30.031 1.00 36.50 S 0

TER 5984 S04 SlOOl S

END

TABLE 5. Coordinates of the complex of GSK3beta with the 39mer peptide FRATtide (completely refined structure) .

REMARK The coordinates below are of the crystal structure of a truncated form

REMARK of human GSK3beta with a peptide known as FRATtide.

REMARK Note the asymmetric unit contains two complexes .

REMARK The first complex contains residues A36-A385 of GSK3beta, and residues

REMARK A511-A535 of FRATtide. A sulphate ion (SI) is associated this mol A.

REMARK The second complex contains residues B28-B383 of GSK3beta, and residues

REMARK B511-B535 of FRATtide. A sulphate ion (SlOOl) is associated with mol B .

REMARK A buffer molecule is also included.

REMARK

REMARK Note residue A216 (and B216) is a phosphotyrosine residue.

REMARK

REMARK coordinates from restrained individual B-factor refinement

REMARK refinement resolution: 18.0 - 2.6 A

REMARK starting r= 0.1975 free_r= 0.2641

REMARK final r= 0.1954 free_r= 0.2613

REMARK B rmsd for bonded mainchain atoms= 1.959 target= 1.5

REMARK B rmsd for bonded sidechain atoms= 2.876 target= 2.0

REMARK B rmsd for angle mainchain atoms= 3.203 target= 2.0

REMARK B rmsd for angle sidechain atoms= 4.083 target= 2.5

REMARK rweight= 0.0500 (with wa= 2.98289)

REMARK target= mlf steps= 30

REMARK sg= R32 a= 153.05 b= 153.05 c= 213.35 alpha= 90 beta= 90 gamma= 120

REMARK parameter file 1 .. /REF8/protein_rep.param

REMARK parameter file 2 MSI_CNX_TOPPAR:water_rep.param

REMARK parameter file 3 MSI_CNX_TOPPAR: ion.param

REMARK parameter file 4 ../TRIS/tri.par

REMARK molecular structure file: generate.psf

REMARK input coordinates: min_b80_low.pdb

REMARK reflection file= ../REF2/b98a3_r32_freeshell.cv

REMARK ncs= none

REMARK B-correction resolution: 6.0 - 2.6 REMARK initial B-factor correction applied to fobs :

REMARK Bll= 4.905 B22= 4.905 B33= -9.809

REMARK B12= -4.097 B13= 0.000 B23= 0.000

REMARK B-factor correction applied to coordinate array B: 0.096

REMARK bulk solvent: (Mask) density level= 0.314708 e/A^λ3, B-factor=

37.2717 A"2

REMARK reflections with | Fobs | /sigma_F < 0.0 rejected

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

REMARK theoretical total number of refl. in resol. range: 29656

( 100.0 % )

REMARK number of unobserved reflections (no entry or |F|=0) : 7

( 0.0 % )

REMARK number of reflections rejected: 0

( 0.0 % )

REMARK total number of reflections used: 29649

( 100.0 % )

REMARK number of reflections in working set: 28164

( 95.0 % ) REMARK number of reflections in test set: 1485

( 5.0 % )

REMARK FILENAME="bindividual_new.pdb"

REMARK DATE :May-25-2001 20:30:21 created by user: baxbOOOO REMARK Written by CNX VERSION: 2000.1

ATOM 1 CB ALA A 36 99. .276 18, .333 -32, .317 1. .00 81, .26 AAAA C

ATOM 2 C ALA A 36 98. .971 20, .300 -30, .786 1. .00 80, .77 AAAA C

ATOM 3 0 ALA A 36 99. .502 20. .601 -29. .713 1, .00 81, .29 AAAA 0

ATOM 4 N ALA A 36 101. .249 19, ,619 -31. ,572 1, .00 80, .23 AAAA N

ATOM 5 CA ALA A 36 99. .803 19, ,714 -31. ,934 1, ,00 81, .14 AAAA C

ATOM 6 N VAL A 37 97. .668 20. .464 -31. ,020 1, ,00 79, .64 AAAA N

ATOM 7 CA VAL A 37 96. .759 21, .015 -30. ,013 1, .00 78, .67 AAAA C

ATOM 8 CB VAL A 37 95, .771 22, .024 -30. .627 1, .00 77, . 66 AAAA C

ATOM 9 CGI VAL A 37 94, .757 22, .458 -29, .577 1, .00 77, .97 AAAA C

ATOM 10 CG2 VAL A 37 96, .525 23, .226 -31. .163 1, .00 76. .71 AAAA C

ATOM 11 C VAL A 37 95, .943 19, .936 -29, .312 1, .00 78. .30 AAAA C

ATOM 12 O VAL A 37 94. .985 19, ,396 -29. .872 1, .00 80, .10 AAAA O

ATOM 13 N THR A 38 96, .321 19, .642 -28. .074 1, .00 76. .66 AAAA N

ATOM 14 CA THR A 38 95, .633 18, .628 -27, .294 1, .00 74, .57 AAAA C

ATOM 15 CB THR A 38 96, .472 18. .200 -26, .092 1, .00 74. .82 AAAA C

ATOM 16 OG1 THR A 38 97, .835 18, .043 -26. .504 1, .00 77. .46 AAAA O

ATOM 17 CG2 THR A 38 95, .959 16, .876 -25. .531 1, .00 73. .37 AAAA C

ATOM 18 C THR A 38 94, .301 19, .146 -26. .780 1, .00 71, .78 AAAA C

ATOM 19 0 THR A 38 94, .187 20, .304 -26, .376 1, .00 69, .59 AAAA O ATOM 20 N THR A 39 93.292 18.283 -26.,812 1.00 69.81 AAAA N

ATOM 21 CA THR A 39 91. 968 18. ,642 -26. ,328 1. 00 68. 59 AAAA C

ATOM 22 CB THR A 39 90. 984 18. 873 -27. ,482 1. 00 67. 31 AAAA C

ATOM 23 OG1 THR A 39 91. 549 19. 815 -28. 402 1. 00 67. 78 AAAA O

ATOM 24 CG2 THR A 39 89. 668 19. 427 -26. ,951 1. 00 64. 73 AAAA C

ATOM 25 C THR A 39 91. 449 17. 524 -25. 433 1. 00 67. 55 AAAA C

ATOM 26 O THR A 39 91. 482 16. ,346 -25. ,802 1. 00 67. 34 AAAA O

ATOM 27 N VAL A 40 90. ,983 17. ,909 -24. ,248 1. 00 65. 93 AAAA N

ATOM 28 CA VAL A 40 90. ,474 16. ,959 -23. ,268 1. 00 64. 26 AAAA C

ATOM 29 CB VAL A 40 91. ,512 16, ,740 -22. ,126 1. 00 64. 08 AAAA C

ATOM 30 CGI VAL A 40 92. ,787 16. ,134 -22. .688 1. ,00 63. ,67 AAAA C

ATOM 31 CG2 VAL A 40 91. .830 18. .061 -21. .438 1. .00 63. ,05 AAAA C

ATOM 32 C VAL A 40 89, .161 17. .438 -22, .650 1. .00 63, .56 AAAA C

ATOM 33 O VAL A 40 88. .780 18. .598 -22. .805 1, ,00 63. .90 AAAA O

ATOM 34 N VAL A 41 88, .461 16, .529 -21, .975 1, .00 63. ,32 AAAA N

ATOM 35 CA VAL A 41 87, .214 16. .868 -21. ,292 1, ,00 63. ,39 AAAA C

ATOM 36 CB VAL A 41 86, .157 15, .747 -21, .412 1, .00 64, .88 AAAA C

ATOM 37 CGI VAL A 41 84. .894 16, .133 -20. .640 1, ,00 61. .60 AAAA C

ATOM 38 CG2 VAL A 41 85, .843 15, .486 -22, .882 1. ,00 64, .86 AAAA C

ATOM 39 C VAL A 41 87, .630 16. .987 -19. .836 1. .00 61. ,46 AAAA C

ATOM 40 O VAL A 41 88, ,065 16, .007 -19, .229 1. .00 62. .09 AAAA O

ATOM 41 N ALA A 42 87, .516 18, .184 -19, .275 1. .00 60, .03 AAAA N

ATOM 42 CA ALA A 42 87, .931 18, .378 -17, .901 1. .00 58. .80 AAAA C

ATOM 43 CB ALA A 42 89, .174 19, .252 -17, .864 1. .00 59, .56 AAAA C

ATOM 44 C ALA A 42 86, .851 18, .981 -17, .032 1. .00 58. .01 AAAA C

ATOM 45 O ALA A 42 85, .852 19. .498 -17 .523 1. .00 57, .22 AAAA O

ATOM 46 N THR A 43 87, .071 18, .903 -15, .727 1. .00 57. .46 AAAA N

ATOM 47 CA THR A 43 86 .152 19 .443 -14 .743 1, .00 56, .52 AAAA C

ATOM 48 CB THR A 43 85, .904 18, .426 -13, .613 1. .00 56, .82 AAAA C

ATOM 49 OG1 THR A 43 85 .350 17 .226 -14 .166 1, .00 57 .01 AAAA O

ATOM 50 CG2 THR A 43 84 .952 18 .994 -12 .570 1, .00 55 .35 AAAA C

ATOM 51 C THR A 43 86 .790 20 .695 -14 .151 1, .00 55 .90 AAAA C

ATOM 52 O THR A 43 88 .003 20 .743 -13 .932 1, .00 51 .90 AAAA O

ATOM 53 N PRO A 44 85 .983 21 .736 -13 .910 1, .00 57 .14 AAAA N

ATOM 54 CD PRO A 44 84 .585 21 .918 -14 .334 1 .00 57 .40 AAAA C

ATOM 55 CA PRO A 44 86 .518 22 .973 -13 .334 1 .00 58 .75 AAAA C

ATOM 56 CB PRO A 44 85 .318 23 .921 -13 .380 1 .00 57 .44 AAAA C

ATOM 57 CG PRO A 44 84 .517 23 .410 -14 .537 1. .00 58 .01 AAAA C

ATOM 58 C PRO A 44 86 .973 22 .697 -11 .902 1 .00 59 .95 AAAA C

ATOM 59 O PRO A 44 86 .236 22 .085 -11 .131 1 .00 58 .92 AAAA O

ATOM 60 N GLY A 45 88 .178 23 .137 -11 .550 1 .00 62 .53 AAAA N

ATOM 61 CA GLY A 45 88 .680 22 .916 -10 .199 1 .00 68 .28 AAAA C ATOM 62 C GLY A 45 87.718 23.414 -9.130 1.00 71.77 AAAA C

ATOM 63 O GLY A 45 87. 218 22. 641 -8. 304 1. 00 69. 46 AAAA O

ATOM 64 N GLN A 46 87. 479 24. 721 -9. 131 1. 00 76. 65 AAAA N

ATOM 65 CA GLN A 46 86. 548 25. 327 -8. 191 1. 00 82. ,61 AAAA C

ATOM 66 CB GLN A 46 87. 146 26. ,587 -7. ,544 1. 00 86. ,39 AAAA C

ATOM 67 CG GLN A 46 88. ,356 26. ,343 -6. .624 1. 00 91. ,51 AAAA C

ATOM 68 CD GLN A 46 89. ,698 26. ,464 -7. ,344 1. 00 93. ,86 AAAA C

ATOM 69 OEl GLN A 46 90. 765 26. 265 -6. 743 1. 00 94. ,74 AAAA O

ATOM 70 NE2 GLN A 46 89. 650 26. ,798 -8. 634 1. 00 94. ,63 AAAA N

ATOM 71 C GLN A 46 85. .322 25. ,697 -9. ,014 1. ,00 83. ,90 AAAA C

ATOM 72 O GLN A 46 85. .362 26. ,630 -9, ,814 1. ,00 84. .04 AAAA O

ATOM 73 N GLY A 47 84. ,244 24. ,944 -8, ,839 1. ,00 86. .33 AAAA N

ATOM 74 CA GLY A 47 83. .037 25. ,227 -9. .589 1. .00 89. .37 AAAA C

ATOM 75 C GLY A 47 82, .258 23. .978 -9. .959 1. .00 91, .62 AAAA C

ATOM 76 O GLY A 47 82, ,798 22. .871 -9. ,888 1. ,00 91. .84 AAAA O

ATOM 77 N PRO A 48 80. .981 24. ,134 -10. .372 1. .00 93. .53 AAAA N

ATOM 78 CD PRO A 48 80. .373 25. ,465 -10. .583 1. ,00 93. .40 AAAA C

ATOM 79 CA PRO A 48 80, .046 23. .072 -10. .776 1, .00 93, .79 AAAA C

ATOM 80 CB PRO A 48 79, ,049 23. .815 -11. .653 1. .00 93, .58 AAAA C

ATOM 81 CG PRO A 48 78, .925 25, .125 -10. .918 1, .00 93, .67 AAAA C

ATOM 82 C PRO A 48 80, .675 21, ,874 -11, .483 1. .00 94 .33 AAAA C

ATOM 83 O PRO A 48 81, .416 22, .014 -12, ,463 1. .00 94 .85 AAAA O

ATOM 84 N ASP A 49 80, .347 20, .695 -10. .968 1. .00 93, .58 AAAA N

ATOM 85 CA ASP A 49 80, .859 19. .434 -11, ,474 1. .00 94, .22 AAAA C

ATOM 86 CB ASP A 49 80, .359 18, .287 -10, ,589 1. .00 96, .19 AAAA C

ATOM 87 CG ASP A 49 81, .420 17, .783 -9, ,629 1. .00 98 .53 AAAA C

ATOM 88 ODl ASP A 49 82 .452 17, .258 -10, .109 1. .00 99 .43 AAAA O

ATOM 89 OD2 ASP A 49 81 .220 17 .911 -8, .397 1, .00 99 .75 AAAA O

ATOM 90 C ASP A 49 80 .564 19 .093 -12, .930 1, .00 93 .98 AAAA C

ATOM 91 O ASP A 49 80 .675 17 .926 -13 .314 1, .00 94 .50 AAAA O

ATOM 92 N ARG A 50 80 .194 20, .071 -13, .752 1, .00 92 .56 AAAA N

ATOM 93 CA ARG A 50 79 .921 19. .733 -15, .141 1. .00 91 .74 AAAA C

ATOM 94 CB ARG A 50 78 .652 20 .428 -15, .643 1, .00 93 .31 AAAA C

ATOM 95 CG ARG A 50 78 .244 19 .928 -17 .025 1, .00 94 .32 AAAA C

ATOM 96 CD ARG A 50 76 .760 19 .599 -17 .147 1, .00 94 .77 AAAA C

ATOM 97 NE ARG A 50 75 .925 20 .790 -17 .288 1 .00 95 .25 AAAA N

ATOM 98 CZ ARG A 50 74 .803 20 .838 -18 .007 1 .00 94 .86 AAAA C

ATOM 99 NHl ARG A 50 74 .376 19 .759 -18 .659 1 .00 95 .63 AAAA N

ATOM 100 NH2 ARG A 50 74 .102 21 .963 -18 .078 1 .00 93 .63 AAAA N

ATOM 101 C ARG A 50 81 .103 20 .037 -16 .062 1 .00 89 .91 AAAA C

ATOM 102 O ARG A 50 81 .574 21 .175 -16 .135 1 .00 88 .87 AAAA O

ATOM 103 N PRO A 51 81 .597 19 .001 -16 .773 1 .00 88 .29 AAAA N ATOM 104 CD PRO A 51 81.,071 17.,629 -16..645 1.00 86.,78 AAAA C

ATOM 105 CA PRO A 51 82. ,720 19. ,016 -17. ,718 1. 00 87, ,79 AAAA C

ATOM 106 CB PRO A 51 82. ,710 17, ,596 -18. ,284 1. 00 86. ,17 AAAA C

ATOM 107 CG PRO A 51 82, ,227 16. ,793 -17. ,140 1. 00 86. ,03 AAAA C

ATOM 108 C PRO A 51 82, ,648 20. ,055 -18. ,830 1. 00 87, ,25 AAAA C

ATOM 109 O PRO A 51 81, ,586 20. ,598 -19. ,125 1. 00 88, ,77 AAAA O

ATOM 110 N GLN A 52 83. .804 20. ,321 -19. ,432 1. 00 85, ,95 AAAA N

ATOM 111 CA GLN A 52 83. ,937 21. .251 -20. ,549 1. 00 84. ,09 AAAA C

ATOM 112 CB GLN A 52 84. ,422 22, ,634 -20, .113 1. 00 84, ,83 AAAA C

ATOM 113 CG GLN A 52 83. .944 23. .156 -18. .786 1. 00 86. .59 AAAA C

ATOM 114 CD GLN A 52 84. .599 24. ,487 -18, .460 1. .00 87, .53 AAAA C

ATOM 115 OEl GLN A 52 84, ,374 25. ,066 -17. ,392 1. 00 88. ,05 AAAA O

ATOM 116 NE2 GLN A 52 85. ,422 24. ,981 -19. ,387 1. 00 85. ,86 AAAA N

ATOM 117 C GLN A 52 85. .060 20. .668 -21, ,374 1. 00 83. .16 AAAA C

ATOM 118 O GLN A 52 85. ,783 19. .789 -20. .906 1. ,00 82. .42 AAAA O

ATOM 119 N GLU A 53 85, ,215 21. ,141 -22. .601 1. 00 81. ,35 AAAA N

ATOM 120 CA GLU A 53 86, .336 20. .674 -23. ,393 1. 00 79. ,34 AAAA C

ATOM 121 CB GLU A 53 86. .069 20. .766 -24. .892 1. ,00 80. .52 AAAA C

ATOM 122 CG GLU A 53 85. .667 19. .449 -25. .522 1. ,00 82. .88 AAAA C

ATOM 123 CD GLU A 53 85, .733 19, .476 -27. .043 1. .00 85, .52 AAAA C

ATOM 124 OEl GLU A 53 85. .176 18. .547 -27, .676 1. ,00 86. .78 AAAA O

ATOM 125 OE2 GLU A 53 86, .346 20, .418 -27, .600 1. ,00 84, .31 AAAA O

ATOM 126 C GLU A 53 87, .435 21, .647 -23, .018 1. ,00 77, .54 AAAA C

ATOM 127 O GLU A 53 87, .163 22, .763 -22, .557 1. .00 76, .59 AAAA O

ATOM 128 N VAL A 54 88, .676 21, .222 -23, .196 1. ,00 75, .20 AAAA N

ATOM 129 CA VAL A 54 89, .807 22, .067 -22, .875 1. ,00 71, .63 AAAA C

ATOM 130 CB VAL A 54 90 .225 21 .911 -21, .389 1, ,00 72, .18 AAAA C

ATOM 131 CGI VAL A 54 91 .539 22 .639 -21 .138 1, .00 71 .59 AAAA C

ATOM 132 CG2 VAL A 54 89 .139 22 .476 -20 .475 1. ,00 68 .93 AAAA C

ATOM 133 C VAL A 54 90 .964 21 .688 -23 .773 1, .00 69 .94 AAAA C

ATOM 134 O VAL A 54 91 .485 20 .581 -23 .697 1, .00 67 .39 AAAA O

ATOM 135 N SER A 55 91 .346 22 .611 -24 .642 1, .00 70 .25 AAAA N

ATOM 136 CA SER A 55 92 .451 22 .372 -25 .545 1, .00 72 .34 AAAA C

ATOM 137 CB SER A 55 92 .086 22 .816 -26 .955 1 .00 71 .17 AAAA C

ATOM 138 OG SER A 55 90 .913 22 .160 -27 .386 1 .00 70 .80 AAAA O

ATOM 139 C SER A 55 93 .667 23 .143 -25 .068 1, .00 73 .84 AAAA C

ATOM 140 O SER A 55 93 .552 24 .272 -24 .584 1 .00 74 .32 AAAA O

ATOM 141 N TYR A 56 94 .833 22 .521 -25 .182 1 .00 73 .85 AAAA N

ATOM 142 CA TYR A 56 96 .066 23 .175 -24 .791 1 .00 73 .70 AAAA C

ATOM 143 CB TYR A 56 96 .480 22 .789 -23 .363 1 .00 73 .84 AAAA C

ATOM 144 CG TYR A 56 96 .699 21 .312 -23 .084 1 .00 72 .00 AAAA C

ATOM 145 CD1 TYR A 56 95 .635 20 .478 -22 .712 1 .00 70 .28 AAAA C ATOM 146 CEl TYR A 56 95..853 19.,137 -22..374 1,,00 69..21 AAAA C

ATOM 147 CD2 TYR A 56 97. ,984 20. ,763 -23. .122 1, ,00 70. .93 AAAA C

ATOM 148 CE2 TYR A 56 98, ,211 19. ,427 -22, .788 1, .00 69. .91 AAAA C

ATOM ^'149 CZ TYR A 56 97, ,147 18. ,620 -22. .413 1. .00 69. .27 AAAA C

ATOM 150 OH TYR A 56 97. ,390 17. ,307 -22, .064 1, ,00 69. .35 AAAA O

ATOM 151 C TYR A 56 97, .166 22. .848 -25. .784 1. .00 74. .36 AAAA C

ATOM 152 O TYR A 56 97. .026 21. .937 -26. .602 1. .00 73. .57 AAAA O

ATOM 153 N THR A 57 98. .258 23, .600 -25. .710 1, .00 76. .69 AAAA N

ATOM 154 CA THR A 57 99. .373 23, .421 -26, .632 1, .00 78, .82 AAAA C

ATOM 155 CB THR A 57 99. .128 24, .270 -27. .923 1, .00 79, .66 AAAA C

ATOM 156 OG1 THR A 57 100. .153 24. .008 -28. .895 1. .00 80. .54 AAAA O

ATOM 157 CG2 THR A 57 99. .100 25. ,767 -27. .582 1. ,00 77. .43 AAAA C

ATOM 158 C THR A 57 100. .711 23. .823 -26. .000 1. ,00 79. .10 AAAA C

ATOM 159 O THR A 57 100. .774 24. .198 -24. .823 1. ,00 78. .24 AAAA O

ATOM 160 N ASP A 58 101. .772 23, ,739 -26. ,801 1. ,00 79. ,71 AAAA N

ATOM 161 CA ASP A 58 103. .124 24, ,089 -26. .372 1, .00 79. ,46 AAAA C

ATOM 162 CB ASP A 58 103. .254 25, .606 -26. .212 1. ,00 81, ,63 AAAA C

ATOM 163 CG ASP A 58 102. .840 26, .361 -27. .469 1, ,00 84. .14 AAAA C

ATOM 164 ODl ASP A 58 103. .254 25, .936 -28. .574 1, ,00 83, .10 AAAA O

ATOM 165 OD2 ASP A 58 102, .109 27. .377 -27, .351 1. ,00 86, .01 AAAA O

ATOM 166 C ASP A 58 103. .438 23, .391 -25, .065 1. ,00 78, .44 AAAA C

ATOM 167 O ASP A 58 104. .095 23, .943 -24, .179 1. ,00 78, .98 AAAA O

ATOM 168 N THR A 59 102, .947 22. .161 -24, .967 1. .00 76, ,82 AAAA N

ATOM 169 CA THR A 59 103, .140 21, .330 -23, .791 1. .00 75, .45 AAAA C

ATOM 170 CB THR A 59 102, .244 20, ,066 -23, .871 1. .00 75, .33 AAAA C

ATOM 171 OG1 THR A 59 100, .948 20, ,427 -24, .375 1. .00 76, .15 AAAA O

ATOM 172 CG2 THR A 59 102, .081 19, .437 -22, .491 1. .00 76, .44 AAAA C

ATOM 173 C THR A 59 104. .613 20, .924 -23, .722 1, .00 73, .42 AAAA C

ATOM 174 O THR A 59 105 .273 20, .793 -24 .753 1, .00 72, .78 AAAA O

ATOM 175 N LYS A 60 105 .127 20, .745 -22 .509 1, .00 71 .25 AAAA N

ATOM 176 CA LYS A 60 106 .517 20, .355 -22 .317 1, ,00 68 .65 AAAA C

ATOM 177 CB LYS A 60 107 .455 21, .473 -22 .804 1, .00 68 .46 AAAA C

ATOM 178 CG LYS A 60 107 .332 22 .785 -22 .038 1, .00 72 .08 AAAA C

ATOM 179 CD LYS A 60 108 .251 23 .872 -22 .591 1, .00 75 .10 AAAA C

ATOM 180 CE LYS A 60 107 .855 24 .270 -24 .011 1 .00 79 .02 AAAA C

ATOM 181 NZ LYS A 60 108 .658 25 .417 -24 .528 1 .00 80 .64 AAAA N

ATOM 182 C LYS A 60 106 .801 20 .032 -20 .848 1 .00 66 .25 AAAA C

ATOM 183 O LYS A 60 106 .308 20 .714 -19 .946 1 .00 67 .61 AAAA O

ATOM 184 N VAL A 61 107 .585 18 .978 -20 .623 1 .00 62 .03 AAAA N

ATOM 185 CA VAL A 61 107 .968 18 .542 -19 .280 1 .00 58 .75 AAAA C

ATOM 186 CB VAL A 61 108 .670 17 .163 -19 .312 1 .00 53 .60 AAAA C

ATOM 187 CGI VAL A 61 109 .267 16 .837 -17 .949 1 .00 50 .91 AAAA C ATOM 188 CG2 VAL A 61 107.,684 16..100 -19.,711 1.,00 51,,28 AAAA C

ATOM 189 C VAL A 61 108. ,927 19. .545 -18. ,644 1. ,00 60. ,45 AAAA C

ATOM 190 O VAL A 61 109, ,891 19, ,984 -19. ,269 1. ,00 62. ,86 AAAA O

ATOM 191 N ILE A 62 108. ,665 19. .898 -17. ,393 1. ,00 60. ,17 AAAA N

ATOM 192 CA ILE A 62 109. ,513 20. ,844 -16. ,693 1. ,00 60. .27 AAAA C

ATOM 193 CB ILE A 62 108, ,780 22. .180 -16. ,486 1. ,00 57. .77 AAAA C

ATOM 194 CG2 ILE A 62 108, ,281 22. .709 -17. ,828 1. ,00 56. ,05 AAAA C

ATOM 195 CGI ILE A 62 107, ,610 21. ,986 -15. ,524 1. 00 57. ,30 AAAA C

ATOM 196 CD1 ILE A 62 106. ,870 23. ,257 -15. ,184 1. .00 57. ,84 AAAA C

ATOM 197 C ILE A 62 109, ,918 20. .259 -15. ,342 1. .00 63. .16 AAAA C

ATOM 198 O ILE A 62 110, ,728 20. .842 -14. ,610 1. ,00 64. .84 AAAA O

ATOM 199 N GLY A 63 109. ,360 19. .094 -15. ,026 1. ,00 63. .58 AAAA N

ATOM 200 CA GLY A 63 109. ,668 18. .452 -13. .764 1. ,00 64, .92 AAAA C

ATOM 201 C GLY A 63 109. ,352 16. .975 -13, .785 1, .00 67, .70 AAAA C

ATOM 202 O GLY A 63 108. ,378 16. ,538 -14, .392 1. ,00 68. .08 AAAA O

ATOM 203 N ASN A 64 110. ,183 16. .202 -13, .103 1. .00 69. .56 AAAA N

ATOM 204 CA ASN A 64 110. ,009 14. ,763 -13, ,049 1, ,00 72. .44 AAAA C

ATOM 205 CB ASN A 64 110. ,979 14. ,119 -14. ,037 1, ,00 73. .08 AAAA C

ATOM 206 CG ASN A 64 110. .664 12, .673 -14, .301 1. .00 75, .67 AAAA C

ATOM 207 ODl ASN A 64 109. .520 12, .325 -14. .597 1, .00 77, .52 AAAA O

ATOM 208 ND2 ASN A 64 111. .680 11, .814 -14, .210 1, .00 74, .34 AAAA N

ATOM 209 C ASN A 64 110. .272 14, .271 -11. .618 1. .00 74, .16 AAAA C

ATOM 210 O ASN A 64 110, .722 15, .039 -10. .764 1. .00 75, ,25 AAAA O

ATOM 211 N GLY A 65 109, .981 13, ,000 -11. .351 1. .00 76, .01 AAAA N

ATOM 212 CA GLY A 65 110. .203 12, .461 -10. .017 1. .00 78, .58 AAAA C

ATOM 213 C GLY A 65 109. .312 11, .282 -9. .650 1. .00 80, .15 AAAA C

ATOM 214 O GLY A 65 108. ,705 10, .647 -10, .517 1, .00 80, .88 AAAA O

ATOM 215 N SER A 66 109, .238 10 .985 -8, .355 1, .00 81 .48 AAAA N

ATOM 216 CA SER A 66 108 .420 9 .879 -7, .857 1, .00 82 .28 AAAA C

ATOM 217 CB SER A 66 108. .823 9 .558 -6, .413 1, .00 82 .56 AAAA C

ATOM 218 OG SER A 66 108, .899 10 .742 -5, .634 1, .00 84 .57 AAAA O

ATOM 219 C SER A 66 106 .925 10 .207 -7, .926 1, .00 81 .64 AAAA C

ATOM 220 O SER A 66 106 .110 9 .375 -8 .326 1, .00 80 .85 AAAA O

ATOM 221 N PHE A 67 106 .587 11 .433 -7 .535 1, .00 82 .21 AAAA N

ATOM 222 CA PHE A 67 105 .211 11 .932 -7. .530 1, .00 82 .03 AAAA C

ATOM 223 CB PHE A 67 105 .215 13 .422 -7 .160 1 .00 83 .08 AAAA C

ATOM 224 CG PHE A 67 106 .010 14 .286 -8 .115 1 .00 85 .21 AAAA C

ATOM 225 CD1 PHE A 67 105 .429 14 .772 -9 .292 1 .00 84 .51 AAAA C

ATOM 226 CD2 PHE A 67 107 .347 14 .595 -7 .850 1 .00 84 .83 AAAA C

ATOM 227 CEl PHE A 67 106 .166 15 .553 -10 .192 1 .00 83 .15 AAAA C

ATOM 228 CE2 PHE A 67 108 .094 15 .375 -8 .744 1 .00 83 .91 AAAA C

ATOM 229 CZ PHE A 67 107 .499 15 .854 -9 .917 1 .00 82 .68 AAAA C ATOM 230 C PHE A 67 104.,504 11,,739 -8..873 1.,00 80,.52 AAAA C

ATOM 231 O PHE A 67 103. ,314 11. ,425 -8. ,924 1. ,00 80. ,85 AAAA O

ATOM 232 N GLY A 68 105, ,251 11, ,931 -9. .955 1. ,00 78. .24 AAAA N

ATOM 233 CA GLY A 68 104. ,700 11. ,793 -11. .289 1. ,00 74. ,79 AAAA C

ATOM 234 C GLY A 68 105, ,472 12, .652 -12. ,272 1. ,00 72. ,35 AAAA C

ATOM 235 O GLY A 68 106. ,701 12. ,654 -12, ,282 1. ,00 72, ,86 AAAA O

ATOM 236 N VAL A 69 104, .753 13, .396 -13, .098 1. .00 67. .41 AAAA N

ATOM 237 CA VAL A 69 105. .385 14, .252 -14. .089 1, ,00 61. .83 AAAA C

ATOM 238 CB VAL A 69 105. .333 13. ,611 -15, .493 1, ,00 61. ,07 AAAA C

ATOM 239 CGI VAL A 69 105. .853 14. .579 -16, ,532 1, ,00 61. .70 AAAA C

ATOM 240 CG2 VAL A 69 106, ,150 12, ,343 -15. ,509 1. ,00 61. ,09 AAAA C

ATOM 241 C VAL A 69 104, ,657 15. .580 -14. .140 1. .00 59. ,70 AAAA C

ATOM 242 O VAL A 69 103, ,455 15, ,651 -13. ,897 1. ,00 59, .64 AAAA O

ATOM 243 N VAL A 70 105. .392 16. ,636 -14, .459 1. ,00 56. .66 AAAA N

ATOM 244 CA VAL A 70 104, ,804 17. .959 -14. ,543 1. ,00 52. ,94 AAAA C

ATOM 245 CB VAL A 70 105. ,380 18. ,895 -13, .472 1. ,00 55. ,05 AAAA C

ATOM 246 CGI VAL A 70 104. .767 20. ,279 -13. ,623 1. ,00 52. ,74 AAAA C

ATOM 247 CG2 VAL A 70 105, .122 18. .325 -12, .079 1, ,00 52. .70 AAAA C

ATOM 248 C VAL A 70 105, .104 18. .555 -15, .898 1, ,00 50. .33 AAAA C

ATOM 249 O VAL A 70 106, .227 18, .476 -16, .376 1. ,00 50, .43 AAAA O

ATOM 250 N TYR A 71 104, .094 19, .142 -16. .523 1. .00 50. .75 AAAA N

ATOM 251 CA TYR A 71 104, .286 19, .763 -17, ,823 1, ,00 53. .55 AAAA C

ATOM 252 CB TYR A 71 103, .433 19. .095 -18, .906 1. ,00 55. .60 AAAA C

ATOM 253 CG TYR A 71 103, .570 17, .591 -19. .011 1, .00 59, .18 AAAA C

ATOM 254 GDI TYR A 71 102, .979 16, .753 -18. .067 1. ,00 60. .39 AAAA C

ATOM 255 CEl TYR A 71 103, .060 15, .367 -18, .179 1. ,00 62, ,41 AAAA C

ATOM 256 CD2 TYR A 71 104. .256 17, .002 -20, .072 1, ,00 58. .76 AAAA C

ATOM 257 CE2 TYR A 71 104, .342 15, .613 -20, .192 1. ,00 58. .63 AAAA C

ATOM 258 CZ TYR A 71 103 .739 14, .802 -19, .241 1, .00 61, .83 AAAA C

ATOM 259 OH TYR A 71 103 .790 13 .428 -19 .350 1, ,00 65, .15 AAAA O

ATOM 260 C TYR A 71 103 .869 21 .210 -17, .715 1. .00 53, ,41 AAAA C

ATOM 261 O TYR A 71 103 .315 21 .635 -16, .709 1, .00 52, .19 AAAA O

ATOM 262 N GLN A 72 104 .153 21 .965 -18 .763 1. ,00 56, .01 AAAA N

ATOM 263 CA GLN A 72 103 .786 23 .362 -18, .817 1. .00 60, .49 AAAA C

ATOM 264 CB GLN A 72 105 .023 24 .248 -18, .775 1, .00 63, .30 AAAA C

ATOM 265 CG GLN A 72 104 .699 25 .732 -18 .767 1, .00 68 .69 AAAA C

ATOM 266 CD GLN A 72 105 .442 26 .499 -19 .845 1, ,00 71 .91 AAAA C

ATOM 267 OEl GLN A 72 105 .179 26 .332 -21 .042 1, .00 73 .94 AAAA O

ATOM 268 NE2 GLN A 72 106 .379 27 .344 -19 .426 1, .00 73 .04 AAAA N

ATOM 269 C GLN A 72 103 .118 23 .508 -20 .159 1, .00 61 .89 AAAA C

ATOM 270 O GLN A 72 103 .540 22 .881 -21 .125 1 .00 62 .90 AAAA O

ATOM 271 N ALA A 73 102 .077 24 .322 -20 .237 1. .00 64 .61 AAAA N ATOM 272 CA ALA A 73 101.401 24.498 -21.513 1.00 66.68 AAAA C

ATOM 273 CB ALA A 73 100. 476 23. 312 -21. ,780 1. 00 66. 86 AAAA C

ATOM 274 C ALA A 73 100. ,623 25. 799 -21. ,590 1. 00 66. ,96 AAAA C

ATOM 275 O ALA A 73 100. 525 26. 544 -20. ,610 1. 00 64. ,84 AAAA O

ATOM 276 N LYS A 74 100. ,072 26. 060 -22, ,770 1. 00 70, ,47 AAAA N

ATOM 277 CA LYS A 74 99. ,298 27. 267 -23. ,021 1. 00 73. ,81 AAAA C

ATOM 278 CB LYS A 74 99 . 931 28. 055 -24. ,172 1. 00 75. 19 AAAA C

ATOM 279 CG LYS A 74 99. ,124 29. 252 -24. .614 1. 00 77, ,48 AAAA C

ATOM 280 CD LYS A 74 99. ,647 29. 818 -25. .909 1. 00 79. ,06 AAAA C

ATOM 281 CE LYS A 74 98. ,718 30. ,906 -26. ,403 1. ,00 82. ,74 AAAA C

ATOM 282 NZ LYS A 74 99. ,200 31. 505 -27. ,674 1. 00 83. ,63 AAAA N

ATOM 283 C LYS A 74 97. .852 26. ,928 -23, .376 1, ,00 75, ,18 AAAA C

ATOM 284 O LYS A 74 97. ,598 26. ,029 -24. ,179 1. ,00 75. ,42 AAAA O

ATOM 285 N LEU A 75 96. .907 27, ,646 -22. .776 1. ,00 77. ,89 AAAA N

ATOM 286 CA LEU A 75 95. ,497 27. ,419 -23. .062 1. ,00 79. ,92 AAAA C

ATOM 287 CB LEU A 75 94. ,636 27, ,946 -21, .917 1, ,00 78. .51 AAAA C

ATOM 288 CG LEU A 75 94. ,887 27, ,205 -20, ,603 1. ,00 76. .84 AAAA C

ATOM 289 CD1 LEU A 75 93. ,985 27, ,753 -19, .509 1, ,00 77. .23 AAAA C

ATOM 290 CD2 LEU A 75 94, .637 25. ,721 -20. .815 1. .00 75, .21 AAAA C

ATOM 291 C LEU A 75 95, .146 28. ,114 -24, .374 1. ,00 82, .50 AAAA C

ATOM 292 O LEU A 75 95, .473 29, .285 -24, .579 1. ,00 83. .61 AAAA O

ATOM 293 N CYS A 76 94, .479 27. .381 -25, .260 1. .00 84, .87 AAAA N

ATOM 294 CA CYS A 76 94. .121 27. .891 -26, .578 1. .00 87. .19 AAAA C

ATOM 295 CB CYS A 76 93, .791 26, .712 -27. .495 1, .00 84, .79 AAAA C

ATOM 296 SG CYS A 76 95, .237 25. .674 -27. .819 1. .00 84, .83 AAAA S

ATOM 297 C CYS A 76 93, .021 28, .949 -26 .661 1, .00 89. .78 AAAA C

ATOM 298 O CYS A 76 92, .898 29, ,643 -27 .675 1, .00 90. .55 AAAA O

ATOM 299 N ASP A 77 92, .224 29, .087 -25. .610 1, .00 92, .37 AAAA N

ATOM 300 CA ASP A 77 91 .163 30, .090 -25 .625 1, .00 95 .22 AAAA C

ATOM 301 CB ASP A 77 89, .792 29, .422 -25 .424 1, .00 97, .54 AAAA C

ATOM 302 CG ASP A 77 89 .552 28 .983 -23 .980 1 .00100 .66 AAAA C

ATOM 303 ODl ASP A 77 90 .410 28 .258 -23 .416 1, .00102 .31 AAAA O

ATOM 304 OD2 ASP A 77 88 .497 29 .362 -23 .412 1 .00101 .56 AAAA O

ATOM 305 C ASP A 77 91 .417 31 .133 -24 .532 1 .00 95 .83 AAAA C

ATOM 306 O ASP A 77 90 .834 32 .221 -24 .550 1 .00 95 .72 AAAA O

ATOM 307 N SER A 78 92 .302 30 .794 -23 .594 1 .00 96 .64 AAAA N

ATOM 308 CA SER A 78 92 .649 31 .682 -22 .482 1 .00 96 .20 AAAA C

ATOM 309 CB SER A 78 92 .635 30 .902 -21 .160 1 .00 97 .60 AAAA C

ATOM 310 OG SER A 78 91 .415 30 .198 -20 .974 1 .00 98 .92 AAAA O

ATOM 311 C SER A 78 94 .034 32 .297 -22 .682 1 .00 95 .25 AAAA C

ATOM 312 O SER A 78 94 .380 33 .299 -22 .049 1 .00 95 .70 AAAA O

ATOM 313 N GLY A 79 94 .820 31 .686 -23 .566 1 .00 94 .00 AAAA N ATOM 314 CA GLY A 79 96,,166 32,.162 -23.,827 1.,00 91.,76 AAAA C

ATOM 315 C GLY A 79 97. ,038 31. .825 -22. ,636 1. ,00 90. ,63 AAAA C

ATOM 316 O GLY A 79 98. .195 31. .425 -22. .782 1. ,00 90. ,56 AAAA O

ATOM 317 N GLU A 80 96. ,449 31. .977 -21. ,453 1. ,00 88. .45 AAAA N

ATOM 318 CA GLU A 80 97. ,106 31. ,714 -20. ,181 1. ,00 86. ,93 AAAA C

ATOM 319 CB GLU A 80 96. ,051 31. .574 -19. ,078 1. ,00 89. .94 AAAA C

ATOM 320 CG GLU A 80 95. ,094 32. .758 -18. ,961 1. ,00 94. .24 AAAA C

ATOM 321 CD GLU A 80 94, ,019 32. .552 -17. ,889 1. ,00 97. .88 AAAA C

ATOM ^' 322 OEl GLU A 80 94. ,380 32. ,319 -16. ,707 1, ,00 99. .88 AAAA O

ATOM 323 OE2 GLU A 80 92, ,814 32. .629 -18. ,231 1, ,00 98. .64 AAAA O

ATOM 324 C GLU A 80 97, .980 30. .463 -20. .199 1, ,00 84. .42 AAAA C

ATOM 325 O GLU A 80 97. ,682 29. .488 -20, .893 1. ,00 84. .62 AAAA O

ATOM 326 N LEU A 81 99. .069 30. .510 -19. ,437 1. .00 79. .72 AAAA N

ATOM 327 CA LEU A 81 99. ,985 29, .381 -19. ,326 1, .00 74, .37 AAAA C

ATOM 328 CB LEU A 81 101, .445 29, .846 -19. .229 1, .00 76. .72 AAAA C

ATOM 329 CG LEU A 81 102, ,282 30, .066 -20, .498 1. .00 79. .85 AAAA C

ATOM 330 GDI LEU A 81 103, .515 30, .876 -20, ,137 1, .00 78, .14 AAAA C

ATOM 331 CD2 LEU A 81 102, .685 28, .730 -21, .129 1, .00 79. .44 AAAA C

ATOM 332 C LEU A 81 99. .616 28. .659 -18. .051 1. ,00 69, .48 AAAA C

ATOM 333 O LEU A 81 99. .208 29. .284 -17. .069 1. ,00 68. .61 AAAA O

ATOM 334 N VAL A 82 99. .749 27. .341 -18. .069 1. ,00 63, .50 AAAA N

ATOM 335 CA VAL A 82 99. .432 26, .555 -16, .896 1. .00 58, .05 AAAA C

ATOM 336 CB VAL A 82 97. ,997 25, ,981 -16, .945 1. .00 58. .23 AAAA C

ATOM 337 CGI VAL A 82 96, .980 27, .111 -17, .015 1, .00 56, .31 AAAA C

ATOM 338 CG2 VAL A 82 97, .857 25, .042 -18, .125 1. .00 55, .91 AAAA C

ATOM 339 C VAL A 82 100, .381 25, .395 -16, .750 1, .00 55. .10 AAAA C

ATOM 340 O VAL A 82 101, .131 25, .042 -17, .665 1, .00 54. .83 AAAA O

ATOM 341 N ALA A 83 100, .341 24, .811 -15, .569 1. .00 50. .63 AAAA N

ATOM 342 CA ALA A 83 101, .160 23 .666 -15 .271 1, .00 50, .02 AAAA C

ATOM 343 CB ALA A 83 101, .898 23 .884 -13 .968 1, .00 49, .09 AAAA C

ATOM 344 C ALA A 83 100 .177 22 .505 -15 .151 1 .00 49 .77 AAAA C

ATOM 345 O ALA A 83 99. .054 22 .683 -14 .673 1, .00 49 .70 AAAA O

ATOM 346 N ILE A 84 100, .582 21 .328 -15 .613 1 .00 48, .93 AAAA N

ATOM 347 CA ILE A 84 99 .722 20 .166 -15 .535 1 .00 48 .16 AAAA C

ATOM 348 CB ILE A 84 99, .302 19 .677 -16 .934 1, .00 46, .72 AAAA C

ATOM 349 CG2 ILE A 84 98 .213 18 .615 -16 .801 1 .00 47 .54 AAAA C

ATOM 350 CGI ILE A 84 98 .776 20 .846 -17 .767 1 .00 44 .87 AAAA C

ATOM 351 CD1 ILE A 84 98 .533 20 .484 -19 .206 1 .00 41, .95 AAAA C

ATOM 352 C ILE A 84 100 .501 19 .064 -14 .842 1 .00 48 .84 AAAA C

ATOM 353 O ILE A 84 101 .470 18 .544 -15 .392 1 .00 48 .88 AAAA O

ATOM 354 N LYS A 85 100 .093 18 .732 -13 .622 1 .00 48 .70 AAAA N

ATOM 355 CA LYS A 85 100 .746 17 .673 -12 .869 1 .00 50 .06 AAAA C ATOM 356 CB LYS A 85 100.728 17.990 -11.,360 1.00 49.,30 AAAA C

ATOM 357 CG LYS A 85 101. 371 16. 906 -10. ,488 1. 00 50. 57 AAAA C

ATOM 358 CD LYS A 85 101. ,457 17. ,279 -9. ,008 1. 00 50. ,95 AAAA C

ATOM 359 CE LYS A 85 102. 117 16. ,148 -8. ,202 1. 00 51. ,32 AAAA C

ATOM 360 NZ LYS A 85 102. 353 16. 465 -6. ,757 1. 00 49. ,29 AAAA N

ATOM 361 C LYS A 85 99. ,985 16. ,374 -13. ,161 1. .00 50, ,69 AAAA C

ATOM 362 O LYS A 85 98. ,767 16. ,308 -12. ,980 1. 00 52, ,35 AAAA O

ATOM 363 N LYS A 86 100. ,705 15. .358 -13. ,633 1. ,00 50, .77 AAAA N

ATOM 364 CA LYS A 86 100. ,112 14. .067 -13. ,957 1. ,00 53. .33 AAAA C

ATOM 365 CB LYS A 86 100. ,455 13. ,683 -15. .389 1. ,00 55, ,29 AAAA C

ATOM 366 CG LYS A 86 99. ,766 12. ,435 -15. ,899 1. ,00 55. .96 AAAA C

ATOM 367 CD LYS A 86 100. ,090 12. ,253 -17. ,381 1. ,00 61. .13 AAAA C

ATOM 368 CE LYS A 86 99. ,511 10. ,972 -17. ,955 1. ,00 62, .80 AAAA C

ATOM 369 NZ LYS A 86 99. ,763 10. ,888 -19. .416 1. .00 62. .90 AAAA N

ATOM 370 C LYS A 86 100. ,619 13. ,003 -12. .996 1. ,00 55, .20 AAAA C

ATOM 371 O LYS A 86 101. ,792 12. .623 -13, .011 1. ,00 55, .26 AAAA O

ATOM 372 N VAL A 87 99. ,706 12. .531 -12. .159 1. .00 55. .29 AAAA N

ATOM 373 CA VAL A 87 100. .005 11. .533 -11. .147 1. ,00 55. .48 AAAA C

ATOM 374 CB VAL A 87 99. .530 12. .031 -9, .757 1, .00 54. .60 AAAA C

ATOM 375 CGI VAL A 87 99. .835 10. .997 -8, .685 1, .00 55. .58 AAAA C

ATOM 376 CG2 VAL A 87 100. .186 13. .360 -9. .436 1, .00 54. .94 AAAA C

ATOM 377 C VAL A 87 99. .309 10. .209 -11, .451 1, .00 55, .85 AAAA C

ATOM 378 O VAL A 87 98. .233 10, .188 -12, .047 1. .00 55. .41 AAAA O

ATOM 379 N LEU A 88 99. .939 9. .107 -11, .060 1. ,00 58, ,22 AAAA N

ATOM 380 CA LEU A 88 99, .343 7, .788 -11, .242 1, ,00 60, .32 AAAA C

ATOM 381 CB LEU A 88 100, .419 6, .709 -11, .415 1, ,00 61, .73 AAAA C

ATOM 382 CG LEU A 88 99, .944 5 .257 -11 .588 1, .00 63 .13 AAAA C

ATOM 383 CD1 LEU A 88 99, .024 5 .124 -12 .801 1. .00 64 .12 AAAA C

ATOM 384 CD2 LEU A 88 101, .162 4, .355 -11 .745 1, .00 63, .48 AAAA C

ATOM 385 C LEU A 88 98 .555 7 .550 -9 .955 1 .00 60 .96 AAAA C

ATOM 386 O LEU A 88 99 .106 7 .611 -8 .849 1 .00 59 .28 AAAA O

ATOM 387 N GLN A 89 97 .262 7 .293 -10 .107 1 .00 61 .25 AAAA N

ATOM 388 CA GLN A 89 96 .384 7 .089 -8 .967 1 .00 61 .62 AAAA C

ATOM 389 CB GLN A 89 95 .326 8 .202 -8 .949 1 .00 60 .65 AAAA C

ATOM 390 CG GLN A 89 94 .334 8 .141 -7 .807 1 .00 61 .50 AAAA C

ATOM 391 CD GLN A 89 95 .000 8 .225 -6 .452 1 .00 60 .47 AAAA C

ATOM 392 OEl GLN A 89 95 .787 9 .132 -6 .198 1 .00 62 .68 AAAA O

ATOM 393 NE2 GLN A 89 94 .683 7 .281 -5 .569 1 .00 62 .32 AAAA N

ATOM 394 C GLN A 89 95 .706 5 .725 -9 .000 1 .00 62 .06 AAAA C

ATOM 395 O GLN A 89 95 .456 5 .168 -10 .074 1 .00 61 .95 AAAA O

ATOM 396 N ASP A 90 95 .438 5 .182 -7 .815 1 .00 62 .73 AAAA N

ATOM 397 CA ASP A 90 94 .747 3 .909 -7 .700 1 .00 63 .91 AAAA C

Φ. Φ- φ. Φ- Φ- Φ- Φ- φ. Φ. Φ- φ. Φ- φ. Φ. φ. φ. φ. Φ- Φ- Φ- Φ- φ. Φ> Φ- φ. Φ- Φ- φ. Φ- φ. Φ- Φ- φ. Φ- φ. Φ- φ. Φ- Φ> φ. 00 OJ

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X X tr* tr* 13 13 13 13 13 13 13 13 13 13 13 t* tr* tr* tr* tr* tr* X X tr* fc fc fc fc fc fc j Ki Ki ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi Ki Ki Ki i K] Ki j Ki Ki cn cn cn cn cn co

CQ cn CQ CQ CD CO CO CO CO to O CO to to to to Ω £ gΩ %Ω Ω£ Ω Ω 61 Ω 61 Ω 61 cn cn cn cn cn cn tn cn to 13 13 13 13 13 13 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

VD VD VD VD VD O vo VD VD VD VD VD VO VD VD vo VO VD VD VD VD VD VD vo vo VD VD VD vo VD vo vo VD VD VD vo VD vo vo VD VD

Φ> φ. φ. φ. Φ- LO LO OJ LO OJ LO OJ OJ 00 LO LO DO DO to O CO O CO CO CO CO CO H H H H o O o o O O

H CO CO 00 vo VD VD VD vo VD VD o vo VD vo vo VO 00 CO vo VD vo VD vo o o co o 03 VO vo vo vo VD vo vo D VD VO vo VD VD VD

-J 03 VD o o o o OJ DO 00 CO O DO to O O 03 vo φ- to OJ to o o VD o VD O o o o o o to O LO oo φ. φ. LΠ 00 H l oo -o in cn VD 03 DO VO H cn 03 m to VD CO σi -a in 03 OJ φ- o OJ Φ- -J φ. Φ- CO o -0 CO VD φ. o m 03 O LO LO σ DO LO φ> oo in o 00 φ. to 0J cn in OJ H co o φ. 00 DO -J vo φ. en vo in o in oo CO CO I-¹ cn φ. vo cn CO

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H 1 1 1 1 1

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1 1 1 1

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Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω Ω Ω Ω Ω S3 d Ω S3 t3 Ω -3 Ω Ω Ω Ω -3 d Ω S3 Ω Ω Ω Ω Ω S3 d Ω d d Ω Ω

ATOM 440 CE LYS A 94 86.329 9.600 -0.901 1.00 80.15 AAAA C

ATOM 441 NZ LYS A 94 85.776 10.236 0.332 1.00 80.84 AAAA N

ATOM 442 C LYS A 94 91.989 9.625 -3.807 1.00 65.08 AAAA C

ATOM 443 O LYS A 94 92.923 8.948 -3.370 1.00 64.88 AAAA O

ATOM 444 N ASN A 95 92.173 10.816 -4.368 1.00 61.19 AAAA N

ATOM 445 CA ASN A 95 93.505 11.395 -4.485 1.00 56.97 AAAA C

ATOM 446 CB ASN A 95 93.744 11.857 -5.922 1.00 57.19 AAAA C

ATOM 447 CG ASN A 95 95.094 12.522 -6.106 1.00 55.93 AAAA C

ATOM 448 ODl ASN A 95 95.306 13.653 -5.674 1.00 56.09 AAAA O

ATOM 449 ND2 ASN A 95 96.016 11.818 -6.748 1.00 54.16 AAAA N

ATOM 450 C ASN A 95 93.655 12.563 -3.512 1.00 55.65 AAAA C

ATOM 451 O ASN A 95 93.055 13.624 -3.700 1.00 55.26 AAAA O

ATOM 452 N ARG A 96 94.458 12.353 -2.472 1.00 53.23 AAAA N

ATOM 453 CA ARG A 96 94.691 13.358 -1.440 1.00 52.02 AAAA C

ATOM 454 CB ARG A 96 95.949 13.029 -0.660 1.00 50.94 AAAA C

ATOM 455 CG ARG A 96 95.721 12.794 0.794 1.00 51.34 AAAA C

ATOM 456 CD ARG A 96 97.027 12.417 1.423 1.00 49.94 AAAA C

ATOM 457 NE ARG A 96 96.834 11.602 2.611 1.00 53.15 AAAA N

ATOM 458 CZ ARG A 96 97.830 11.103 3.330 1.00 53.40 AAAA C

ATOM 459 NHl ARG A 96 99.087 11.339 2.980 1.00 50.41 AAAA N

ATOM 460 NH2 ARG A 96 97.567 10.361 4.393 1.00 54.23 AAAA N

ATOM 461 C ARG A 96 94.837 14.756 -1.986 1.00 51.87 AAAA C

ATOM 462 0 ARG A 96 94.154 15.667 -1.533 1.00 53.40 AAAA O

ATOM 463 N GLU A 97 95.739 14.921 -2.951 1.00 49.72 AAAA N

ATOM 464 CA GLU A 97 95.999 16.223 -3.557 1.00 49.65 AAAA C

ATOM 465 CB GLU A 97 97.162 16.130 -4.556 1.00 50.16 AAAA C

ATOM 466 CG GLU A 97 97.681 17.492 -5.016 1.00 51.90 AAAA C

ATOM 467 CD GLU A 97 99.065 17.430 -5.649 1.00 54.59 AAAA C

ATOM 468 OEl GLU A 97 99.620 18.513 -5.958 1.00 53.50 AAAA O

ATOM 469 OE2 GLU A 97 99.591 16.308 -5.834 1.00 52.63 AAAA O

ATOM 470 C GLU A 97 94.776 16.801 -4.248 1.00 48.84 AAAA C

ATOM 471 O GLU A 97 94.427 17.959 -4.024 1.00 51.17 AAAA O

ATOM 472 N LEU A 98 94.122 16.003 -5.085 1.00 47.69 AAAA N

ATOM 473 CA LEU A 98 92.940 16.478 -5.786 1.00 50.08 AAAA C

ATOM 474 CB LEU A 98 92.377 15.391 -6.698 1.00 51.10 AAAA C

ATOM 475 CG LEU A 98 91.145 15.865 -7.476 1.00 52.11 AAAA C

ATOM 476 CD1 LEU A 98 91.526 17.066 -8.324 1.00 50.99 AAAA C

ATOM 477 CD2 LEU A 98 90.604 14.747 -8.347 1.00 52.20 AAAA C

ATOM 478 C LEU A 98 91.856 16.924 -4.811 1.00 48.78 AAAA C

ATOM 479 O LEU A 98 91.280 17.994 -4.958 1.00 51.17 AAAA O

ATOM 480 N GLN A 99 91.582 16.100 -3.813 1.00 48.96 AAAA N

ATOM 481 CA GLN A 99 90.559 16.419 -2.827 1.00 50.08 AAAA C ATOM 482 CB GLN A 99 90,.445 15,.263 -1,.835 1,.00 50,.04 AAAA C

ATOM 483 CG GLN A 99 89, .992 13, .988 -2, .517 1. .00 54, .02 AAAA C

ATOM 484 CD GLN A 99 88, ,693 14, .190 -3. .287 1. ,00 57. .62 AAAA C

ATOM 485 OEl GLN A 99 87, .612 14, .250 -2, .693 1, .00 58, .93 AAAA O

ATOM 486 NE2 GLN A 99 88. .795 14, .317 -4, ,612 1. ,00 56, .00 AAAA N

ATOM 487 C GLN A 99 90, .834 17, ,727 -2, .092 1, .00 50, .14 AAAA C

ATOM 488 O GLN A 99 89, .921 18, ,516 -1. .821 1. ,00 52. .31 AAAA O

ATOM 489 N ILE A 100 92, .103 17, ,953 -1. .781 1. ,00 48. .91 AAAA N

ATOM 490 CA ILE A 100 92, .536 19, ,148 -1. .076 1. ,00 48. .00 AAAA C

ATOM 491 CB ILE A 100 93, .988 18. .970 -0. .602 1. .00 47. .88 AAAA C

ATOM 492 CG2 ILE A 100 94, ,615 20, .307 -0, .302 1. ,00 49. .16 AAAA C

ATOM 493 CGI ILE A 100 94, .008 18, .047 0, .617 1, .00 45, .37 AAAA C

ATOM 494 CD1 ILE A 100 95, .384 17, .596 1. .033 1, .00 47, .78 AAAA C

ATOM 495 C ILE A 100 92, ,418 20. .410 -1. .925 1. ,00 49. .56 AAAA C

ATOM 496 O ILE A 100 91, .870 21, .417 -1, .481 1, ,00 46. .83 AAAA O

ATOM 497 N MET A 101 92. .925 20, .347 -3. .150 1, ,00 51, .07 AAAA N

ATOM 498 CA MET A 101 92, .883 21, .489 -4. .050 1, .00 52. .38 AAAA C

ATOM 499 CB MET A 101 93. .597 21. .162 -5. .366 1, ,00 54. .98 AAAA C

ATOM 500 CG MET A 101 95, .111 21, .040 -5. .270 1. ,00 57. .98 AAAA C

ATOM 501 SD MET A 101 95. .884 22. .526 -4, .585 1. .00 61. .95 AAAA S

ATOM 502 CE MET A 101 95, .614 23, .715 -5. .905 1, ,00 59. ,62 AAAA C

ATOM 503 C MET A 101 91, .473 21, .962 -4, .365 1. .00 53, ,91 AAAA C

ATOM 504 O MET A 101 91 .284 23, .123 -4, .740 1. .00 55, .39 AAAA O

ATOM 505 N ARG A 102 90, .488 21, .074 -4, .217 1. .00 55, .99 AAAA N

ATOM 506 CA ARG A 102 89, .096 21, .417 -4, .526 1. .00 58, .73 AAAA C

ATOM 507 CB ARG A 102 88, .280 20, .154 -4, .792 1, ,00 59, .85 AAAA C

ATOM 508 CG ARG A 102 88. .783 19. .346 -5, .983 1. ,00 64. .75 AAAA C

ATOM 509 CD ARG A 102 87, .793 18, ,264 -6, .382 1. .00 64. .95 AAAA C

ATOM 510 NE ARG A 102 86. .691 18. .811 -7. .168 1. .00 70. .17 AAAA N

ATOM 511 CZ ARG A 102 85, .601 18, .130 -7, .505 1. ,00 69. .77 AAAA C

ATOM 512 NHl ARG A 102 85, .460 16, .864 -7, .116 1. .00 67, .88 AAAA N

ATOM 513 NH2 ARG A 102 84 .661 18 .715 -8 .243 1, .00 67, .31 AAAA N

ATOM 514 C ARG A 102 88, .397 22, .269 -3, .477 1, .00 58, ,77 AAAA C

ATOM 515 O ARG A 102 87 .484 23 .039 -3 .807 1, .00 59, .47 AAAA O

ATOM 516 N LYS A 103 88, .818 22, .131 -2, .219 1, .00 59, ,25 AAAA N

ATOM 517 CA LYS A 103 88 .243 22 .926 -1 .138 1, ,00 58 .57 AAAA C

ATOM 518 CB LYS A 103 88 .616 22 .370 0, .229 1. .00 59, .56 AAAA C

ATOM 519 CG LYS A 103 88, .329 20, .925 0, .460 1. .00 60, .93 AAAA C

ATOM 520 CD LYS A 103 88 .582 20 .643 1, .920 1, .00 62, .74 AAAA C

ATOM 521 CE LYS A 103 88 .313 19, .204 2, .276 1. .00 62. .51 AAAA C

ATOM 522 NZ LYS A 103 88 .459 19 .009 3, .744 1, ,00 61, .10 AAAA N

ATOM 523 C LYS A 103 88 .838 24 .319 -1 .215 1 .00 57 .51 AAAA C ATOM 524 O LYS A 103 88.,169 25..314 -0,.940 1.,00 59..23 AAAA O

ATOM 525 N LEU A 104 90. .108 24. .368 -1. .598 1, ,00 56, ,85 AAAA N

ATOM 526 CA LEU A 104 90. ,857 25. ,609 -1. .675 1, ,00 54, .99 AAAA C

ATOM 527 CB LEU A 104 92, ,348 25, .290 -1. .724 1, ,00 51. .82 AAAA C

ATOM 528 CG LEU A 104 92. ,782 24. .299 -0. .648 1, ,00 53. .38 AAAA C

ATOM 529 CD1 LEU A 104 94. ,284 24, .163 -0, .650 1, ,00 50. .67 AAAA C

ATOM 530 CD2 LEU A 104 92. ,296 24, .771 0, .698 1. ,00 47, .23 AAAA C

ATOM 531 C LEU A 104 90, ,524 26. .593 -2, .781 1. ,00 55. .50 AAAA C

ATOM 532 O LEU A 104 90, .556 26, .270 -3, .965 1, ,00 57. .74 AAAA O

ATOM 533 N ASP A 105 90, .213 27, .810 -2, .354 1. .00 55, .02 AAAA N

ATOM 534 CA ASP A 105 89. .910 28, .931 -3, .233 1. ,00 56, .15 AAAA C

ATOM 535 CB ASP A 105 88. .420 28. .983 -3. .566 1. ,00 59, .09 AAAA C

ATOM 536 CG ASP A 105 88. .077 30. .129 -4. .495 1, ,00 61. .91 AAAA C

ATOM 537 ODl ASP A 105 86. ,912 30. .215 -4. .940 1, ,00 67. ,60 AAAA O

ATOM 538 OD2 ASP A 105 88. .979 30, .948 -4, .778 1. ,00 63, ,83 AAAA O

ATOM 539 C ASP A 105 90. ,330 30, .171 -2, .439 1, ,00 54. ,40 AAAA C

ATOM 540 O ASP A 105 89. ,535 30, .773 -1. .710 1. ,00 55. .04 AAAA O

ATOM 541 N HIS A 106 91. ,603 30, .521 -2, .586 1, .00 52. .66 AAAA N

ATOM 542 CA HIS A 106 92. ,214 31, .642 -1, .886 1. .00 47. .71 AAAA C

ATOM 543 CB HIS A 106 92. .982 31, .090 -0, .683 1. .00 48. .93 AAAA C

ATOM 544 CG HIS A 106 93. .482 32. .134 0, .265 1. .00 48. .84 AAAA C

ATOM 545 CD2 HIS A 106 93, .141 32, .408 1, .546 1, .00 52. .70 AAAA C

ATOM 546 NDl HIS A 106 94, .478 33, .026 -0, .064 1. ,00 50. .79 AAAA N

ATOM 547 CEl HIS A 106 94, .731 33, .804 0 .973 1, .00 51, .06 AAAA C

ATOM 548 NE2 HIS A 106 93, .933 33, .449 1. .964 1, .00 52, ,86 AAAA N

ATOM 549 C HIS A 106 93. .156 32, .337 -2. .870 1. .00 47. .52 AAAA C

ATOM 550 O HIS A 106 93, .636 31, .720 -3 .824 1. .00 46, .43 AAAA O

ATOM 551 N CYS A 107 93 .421 33 .617 -2 .640 1, .00 48 .41 AAAA N

ATOM 552 CA CYS A 107 94. .287 34 .394 -3 .526 1, .00 49, .14 AAAA C

ATOM 553 CB CYS A 107 94. .008 35 .897 -3 .350 1, ,00 52, .07 AAAA C

ATOM 554 SG CYS A 107 94 .026 36 .496 -1 .618 1, .00 62 .74 AAAA S

ATOM 555 C CYS A 107 95 .783 34 .129 -3 .367 1, .00 46 .89 AAAA C

ATOM 556 O CYS A 107 96, .574 34 .476 -4 .239 1, .00 48, .41 AAAA O

ATOM 557 N ASN A 108 96 .176 33 .518 -2 .259 1 .00 45 .01 AAAA N

ATOM 558 CA ASN A 108 97 .586 33 .229 -2 .016 1 .00 44 .29 AAAA C

ATOM 559 CB ASN A 108 97 .988 33 .733 -0 .628 1 .00 42 .33 AAAA C

ATOM 560 CG ASN A 108 97 .924 35 .245 -0 .523 1 .00 43 .33 AAAA C

ATOM 561 ODl ASN A 108 97 .267 35 .800 0 .371 1 .00 46 .51 AAAA O

ATOM 562 ND2 ASN A 108 98 .609 35 .925 -1 .440 1 .00 38 .93 AAAA N

ATOM 563 C ASN A 108 97 .840 31 .737 -2 .131 1 .00 43 .02 AAAA C

ATOM 564 O ASN A 108 98 .758 31 .191 -1 .516 1 .00 44 .88 AAAA O

ATOM 565 N ILE A 109 97 .000 31 .082 -2 .919 1 .00 41 .93 AAAA N ATOM 566 CA ILE A 109 97..116 29..658 -3,.144 1..00 42,.45 AAAA C

ATOM 567 CB ILE A 109 96. .082 28. .870 -2. .304 1, .00 43, .08 AAAA C

ATOM 568 CG2 ILE A 109 96. .165 27. .380 -2, .629 1. .00 38, .10 AAAA C

ATOM 569 CGI ILE A 109 96. ,348 29, ,116 -0. .818 1. .00 38, .91 AAAA C

ATOM 570 CD1 ILE A 109 95, .426 28. .378 0. .101 1, ,00 43, .89 AAAA C

ATOM 571 C ILE A 109 96, ,885 29. .421 -4. .626 1. ,00 41, .87 AAAA C

ATOM 572 O ILE A 109 95, ,915 29. .925 -5. .202 1, ,00 42, .42 AAAA O

ATOM 573 N VAL A 110 97. ,801 28. .677 -5. .241 1. ,00 42. .79 AAAA N

ATOM 574 CA VAL A 110 97. ,713 28, ,359 -6. .661 1, ,00 46, .25 AAAA C

ATOM 575 CB VAL A 110 98. ,857 27, ,370 -7. .079 1. ,00 48. .17 AAAA C

ATOM 576 CGI VAL A 110 98. ,621 25. ,984 -6. .487 1. ,00 46. .38 AAAA C

ATOM 577 CG2 VAL A 110 98. .970 27, .306 -8, .591 1. ,00 47, ,30 AAAA C

ATOM 578 C VAL A 110 96, .326 27, ,766 -6, .934 1. .00 46, .91 AAAA C

ATOM 579 O VAL A 110 95, ,872 26, .855 -6. ,232 1. .00 48, .81 AAAA O

ATOM 580 N ARG A 111 95, .644 28, ,304 -7, .938 1. .00 47, .43 AAAA N

ATOM 581 CA ARG A 111 94, .298 27, .850 -8, .272 1, .00 50 .55 AAAA C

ATOM 582 CB ARG A 111 93, .517 29. ,000 -8, .925 1. .00 53, .39 AAAA C

ATOM 583 CG ARG A 111 92, .276 28, .577 -9, .696 1, .00 58 .25 AAAA C

ATOM 584 CD ARG A 111 91, .721 29, ,721 -10, .539 1. .00 64, .18 AAAA C

ATOM 585 NE ARG A 111 92, .778 30, .471 -11, .227 1, .00 69 .84 AAAA N

ATOM 586 CZ ARG A 111 92, .583 31, .267 -12, .281 1. .00 72, .22 AAAA C

ATOM 587 NHl ARG A 111 91, .367 31, .422 -12, .789 1, .00 73 .82 AAAA N

ATOM 588 NH2 ARG A 111 93, .604 31. .924 -12, .823 1. .00 73, .12 AAAA N

ATOM 589 C ARG A 111 94, .272 26, .639 -9, .190 1, .00 49. .38 AAAA C

ATOM 590 O ARG A 111 95, .038 26. .570 -10, .150 1. .00 48. .46 AAAA O

ATOM 591 N LEU A 112 93, .398 25, .682 -8, .881 1, .00 48 .43 AAAA N

ATOM 592 CA LEU A 112 93, .245 24. .497 -9. .722 1. .00 48. .82 AAAA C

ATOM 593 CB LEU A 112 92, .699 23, .309 -8, .927 1. .00 47, .99 AAAA C

ATOM 594 CG LEU A 112 92, .386 22, .047 -9. ,746 1. .00 49, .52 AAAA C

ATOM 595 CD1 LEU A 112 93, .654 21, .504 -10, .389 1, .00 50 .05 AAAA C

ATOM 596 CD2 LEU A 112 91, .767 20. .993 -8. ,847 1. .00 51, .19 AAAA C

ATOM 597 C LEU A 112 92, .247 24. .883 -10, .805 1, .00 49 .64 AAAA C

ATOM 598 O LEU A 112 91 .055 25, .007 -10, .540 1, .00 48 .17 AAAA O

ATOM 599 N ARG A 113 92, .737 25. .094 -12, .020 1, .00 51 .09 AAAA N

ATOM 600 CA ARG A 113 91 .879 25, .480 -13, .126 1, .00 53 .83 AAAA C

ATOM 601 CB ARG A 113 92, .738 25, ,853 -14, .335 1, .00 56 .86 AAAA C

ATOM 602 CG ARG A 113 93 .617 27, .072 -14, .117 1 .00 62 .65 AAAA C

ATOM 603 CD ARG A 113 92 .779 28, .317 -13, .831 1, .00 69 .29 AAAA C

ATOM 604 NE ARG A 113 91 .956 28, .726 -14, .973 1 .00 74 .63 AAAA N

ATOM 605 CZ ARG A 113 92 .411 29, .379 -16, .041 1, .00 75 .83 AAAA C

ATOM 606 NHl ARG A 113 91 .574 29, .698 -17, .025 1, .00 74 .67 AAAA N

ATOM 607 NH2 ARG A 113 93 .695 29 .723 -16 .121 1 .00 76 .04 AAAA N ATOM 608 C ARG A 113 90.,909 24.,360 -13.,495 1,,00 54,.19 AAAA C

ATOM 609 O ARG A 113 89. .687 24. .521 -13, ,399 1. ,00 54. .27 AAAA O

ATOM 610 N TYR A 114 91. .464 23. .228 -13. .918 1. ,00 52, .45 AAAA N

ATOM 611 CA TYR A 114 90. ,678 22. ,066 -14, ,314 1. 00 53. ,92 AAAA C

ATOM 612 CB TYR A 114 90. ,516 21. .998 -15, .844 1. ,00 53, ,60 AAAA C

ATOM 613 CG TYR A 114 89, .893 23. ,210 -16, ,501 1. ,00 53. .37 AAAA C

ATOM 614 CD1 TYR A 114 90, .678 24. .167 -17, ,147 1. ,00 49, .53 AAAA C

ATOM 615 CEl TYR A 114 90. .095 25, ,292 -17, ,739 1. ,00 55. .06 AAAA C

ATOM 616 CD2 TYR A 114 88. ,513 23. .406 -16. .466 1, ,00 51, .83 AAAA C

ATOM 617 CE2 TYR A 114 87. .925 24, .520 -17. .049 1, ,00 52, ,91 AAAA C

ATOM 618 CZ TYR A 114 88. .713 25, .459 -17, .681 1, ,00 54, .54 AAAA C

ATOM 619 OH TYR A 114 88. ,106 26. .564 -18, .238 1, ,00 58, .82 AAAA O

ATOM 620 C TYR A 114 91. .408 20. .801 -13, .883 1, .00 55, .91 AAAA C

ATOM 621 O TYR A 114 92. .529 20, .849 -13, .374 1, ,00 56, .71 AAAA O

ATOM 622 N PHE A 115 90, ,761 19, .665 -14, ,101 1. .00 55, .49 AAAA N

ATOM 623 CA PHE A 115 91. .365 18, .381 -13. .800 1, .00 54. .92 AAAA C

ATOM 624 CB PHE A 115 91, .335 18, .092 -12, ,289 1. .00 53. .97 AAAA C

ATOM 625 CG PHE A 115 89. .999 17, ,637 -11, .758 1. .00 50, .16 AAAA C

ATOM 626 CD1 PHE A 115 89. .661 16, ,284 -11, .751 1. .00 49. .10 AAAA C

ATOM 627 CD2 PHE A 115 89. .097 18. ,556 -11. .216 1. ,00 49. .34 AAAA C

ATOM 628 CEl PHE A 115 88. ,445 15. .851 -11. .205 1. .00 47. .40 AAAA C

ATOM 629 CE2 PHE A 115 87. ,873 18, .131 -10, ,666 1. .00 47. .50 AAAA C

ATOM 630 CZ PHE A 115 87. ,551 16, ,778 -10, .661 1, .00 45, .74 AAAA C

ATOM 631 C PHE A 115 90. ,638 17, .315 -14, ,610 1. .00 54. .46 AAAA C

ATOM 632 O PHE A 115 89, .414 17, .305 -14 .708 1, .00 55 .65 AAAA O

ATOM 633 N PHE A 116 91, .408 16, .439 -15, .232 1, .00 54, .29 AAAA N

ATOM 634 CA PHE A 116 90, .837 15, .383 -16 .039 1, .00 53, .21 AAAA C

ATOM 635 CB PHE A 116 90. .879 15, ,775 -17, .507 1, .00 52, .02 AAAA C

ATOM 636 CG PHE A 116 92 .254 16 .069 -18 .005 1 .00 53 .58 AAAA C

ATOM 637 CD1 PHE A 116 93, .014 15, .079 -18 .615 1, .00 50. .95 AAAA C

ATOM 638 CD2 PHE A 116 92 .799 17 .340 -17 .858 1 .00 53 .12 AAAA C

ATOM 639 CEl PHE A 116 94, .302 15, .351 -19 .077 1, .00 52, .08 AAAA C

ATOM 640 CΞ2 PHE A 116 94 .085 17 .621 -18 .316 1 .00 51 .92 AAAA C

ATOM 641 CZ PHE A 116 94 .838 16 .625 -18 .928 1 .00 50 .71 AAAA C

ATOM 642 C PHE A 116 91, .637 14, .121 -15 .815 1, .00 52, .84 AAAA C

ATOM 643 O PHE A 116 92, .667 14, .138 -15 .137 1, .00 52, .14 AAAA O

ATOM 644 N TYR A 117 91 .158 13 .026 -16 .388 1 .00 50 .48 AAAA N

ATOM 645 CA TYR A 117 91 .831 11 .757 -16 .228 1 .00 48 .44 AAAA C

ATOM 646 CB TYR A 117 90 .904 10 .752 -15 .560 1 .00 45 .52 AAAA C

ATOM 647 CG TYR A 117 90, .546 11, .146 -14 .161 1 .00 43 .60 AAAA C

ATOM 648 CD1 TYR A 117 89 .587 12 .128 -13 .916 1 .00 42 .74 AAAA C

ATOM 649 CEl TYR A 117 89 .268 12 .507 -12 .624 1 .00 39 .48 AAAA C ATOM 650 CD2 TYR A 117 91.,184 10.,553 -13..077 1..00 44,,03 AAAA C

ATOM 651 CE2 TYR A 117 90. ,882 10. ,922 -11. ,781 1. 00 40. ,65 AAAA C

ATOM 652 CZ TYR A 117 89. ,921 11. 896 -11. ,557 1. 00 43, ,72 AAAA C

ATOM 653 OH TYR A 117 89. ,608 12. ,236 -10. ,260 1. ,00 45. ,53 AAAA O

ATOM 654 C TYR A 117 92, ,362 11. ,177 -17. .514 1. ,00 50. ,02 AAAA C

ATOM 655 O TYR A 117 91. ,935 11. ,531 -18. ,610 1. 00 47. ,53 AAAA O

ATOM 656 N SER A 118 93. ,316 10, ,276 -17. ,359 1. ,00 54, ,78 AAAA N

ATOM 657 CA SER A 118 93. ,925 9. ,634 -18. .491 1. ,00 58. ,84 AAAA C

ATOM 658 CB SER A 118 95. .354 10. ,130 -18. ,681 1. ,00 61, .71 AAAA C

ATOM 659 OG SER A 118 95. ,353 11. ,467 -19. ,143 1. ,00 66, ,26 AAAA O

ATOM 660 C SER A 118 93. .922 8. ,144 -18. .292 1, ,00 62, .11 AAAA C

ATOM 661 O SER A 118 93. .954 7. ,645 -17, ,169 1. ,00 59. ,65 AAAA O

ATOM 662 N SER A 119 93. .871 7. ,444 -19. .414 1, ,00 66. .79 AAAA N

ATOM 663 CA SER A 119 93. .866 6. ,001 -19. .430 1, .00 71. .10 AAAA C

ATOM 664 CB SER A 119 93. .837 5. .513 -20. .885 1, ,00 72, .48 AAAA C

ATOM 665 OG SER A 119 93, .922 4. ,100 -20. .967 1. .00 77, ,96 AAAA O

ATOM 666 C SER A 119 95, .109 5. ,472 -18, .720 1. .00 73, .60 AAAA C

ATOM 667 O SER A 119 96. .239 5. ,785 -19, .108 1. .00 74, .78 AAAA O

ATOM 668 N GLY A 120 94, .895 4. .694 -17, .661 1, .00 75, .29 AAAA N

ATOM 669 CA GLY A 120 96, .012 4. .111 -16, .949 1, ,00 78, .88 AAAA C

ATOM 670 C GLY A 120 96, .432 2, .883 -17. .732 1. .00 81, .39 AAAA C

ATOM 671 O GLY A 120 95, .776 2, .519 -18, .710 1. .00 81, .04 AAAA O

ATOM 672 N GLU A 121 97, .521 2, .239 -17, .337 1, .00 83, .93 AAAA N

ATOM 673 CA GLU A 121 97, .944 1. .048 -18, .057 1. ,00 86, .15 AAAA C

ATOM 674 CB GLU A 121 99, .471 0, .997 -18, .156 1, .00 89, .40 AAAA C

ATOM 675 CG GLU A 121 100, .018 -0, ,089 -19. .088 1. .00 92, .54 AAAA C

ATOM 676 CD GLU A 121 99, .372 -0, .085 -20, .473 1. .00 95, .75 AAAA C

ATOM 677 OEl GLU A 121 99 .015 1, .008 -20 .977 1, .00 96 .38 AAAA O

ATOM 678 OE2 GLU A 121 99 .238 -1, .182 -21 .064 1, .00 96 .03 AAAA O

ATOM 679 C GLU A 121 97 .399 -0, .179 -17, .333 1, .00 85 .54 AAAA C

ATOM 680 O GLU A 121 96 .725 -1 .011 -17 .938 1, .00 85 .67 AAAA O

ATOM 681 N LYS A 122 97 .676 -0 .276 -16 .036 1, .00 85 .60 AAAA N

ATOM 682 CA LYS A 122 97 .192 -1 .396 -15 .240 1 .00 86 .17 AAAA C

ATOM 683 CB LYS A 122 98 .047 -1 .547 -13 .981 1 .00 86 .69 AAAA C

ATOM 684 CG LYS A 122 97 .972 -2 .925 -13 .348 1 .00 88 .41 AAAA C

ATOM 685 CD LYS A 122 99 .152 -3 .171 -12 .411 1 .00 89 .33 AAAA C

ATOM 686 CE LYS A 122 98 .819 -2 .854 -10 .959 1 .00 89 .94 AAAA C

ATOM 687 NZ LYS A 122 97 .863 -3 .841 -10 .381 1 .00 88 .66 AAAA N

ATOM 688 C LYS A 122 95 .737 -1 .096 -14 .873 1 .00 87 .15 AAAA C

ATOM 689 O LYS A 122 95 .462 -0 .127 -14 .165 1 .00 89 .38 AAAA O

ATOM 690 N LYS A 123 94 .818 -1 .928 -15 .365 1 .00 86 .92 AAAA N

ATOM 691 CA LYS A 123 93 .368 -1 .779 -15 .148 1 .00 86 .30 AAAA C ATOM 692 CB LYS A 123 92,,677 -3,,151 -15.,221 1.,00 88..37 AAAA C

ATOM 693 CG LYS A 123 92, .362 -3. ,614 -16. ,649 1. ,00 90. .45 AAAA C

ATOM 694 CD LYS A 123 91, ,610 -4, ,954 -16. ,703 1. ,00 93. .89 AAAA C

ATOM 695 CE LYS A 123 92. ,489 -6, ,135 -16, .265 1. ,00 96, .27 AAAA C

ATOM 696 NZ LYS A 123 91. .862 -7, .471 -16, .552 1. ,00 98. .67 AAAA N

ATOM 697 C LYS A 123 92. .861 -1, ,047 -13, .905 1. ,00 84. .45 AAAA C

ATOM 698 O LYS A 123 91. ,815 -0, .399 -13, ,955 1. ,00 83, .98 AAAA O

ATOM 699 N ASP A 124 93, ,581 -1, ,151 -12. .795 1. ,00 82, .57 AAAA N

ATOM 700 CA ASP A 124 93, .162 -0. .486 -11, .566 1. ,00 81. .32 AAAA C

ATOM 701 CB ASP A 124 93. .293 -1. ,447 -10. .387 1. ,00 84, .78 AAAA C

ATOM 702 CG ASP A 124 94, .681 -2. ,038 -10. .279 1. ,00 88, .53 AAAA C

ATOM 703 ODl ASP A 124 95, .089 -2. ,772 -11, .211 1. ,00 91, .70 AAAA O

ATOM 704 OD2 ASP A 124 95. .367 -1, ,763 -9, .267 1. ,00 92, .02 AAAA O

ATOM 705 C ASP A 124 93. .961 0, ,782 -11. .280 1, .00 77. .87 AAAA C

ATOM 706 O ASP A 124 94, .202 1, .120 -10, .119 1, .00 76, .66 AAAA O

ATOM 707 N GLU A 125 94. .364 1, .483 -12. .338 1, ,00 73, .76 AAAA N

ATOM 708 CA GLU A 125 95, .133 2. .712 -12. .196 1. .00 71, ,69 AAAA C

ATOM 709 CB GLU A 125 96, .631 2. .402 -12, .234 1. ,00 73. .53 AAAA C

ATOM 710 CG GLU A 125 97, .141 1. .707 -10. .975 1. .00 74. .36 AAAA C

ATOM 711 CD GLU A 125 98. .512 1. .078 -11. .154 1. .00 76. .64 AAAA C

ATOM 712 OEl GLU A 125 99, .027 0. .519 -10, .159 1. .00 76, .36 AAAA O

ATOM 713 OE2 GLU A 125 99, .067 1. .134 -12, ,281 1. .00 76, .75 AAAA O

ATOM 714 C GLU A 125 94, .798 3, .748 -13, .258 1. .00 68, .16 AAAA C

ATOM 715 O GLU A 125 94, .634 3. .426 -14, .436 1. ,00 67. .64 AAAA O

ATOM 716 N VAL A 126 94 .688 4, .997 -12, .816 1, .00 63 .26 AAAA N

ATOM 717 CA VAL A 126 94 .387 6, .124 -13, .692 1, .00 60 .35 AAAA C

ATOM 718 CB VAL A 126 93, .010 6, .756 -13, .384 1, .00 59, .23 AAAA C

ATOM 719 CGI VAL A 126 91, .934 6, .086 -14, .190 1, ,00 53, .82 AAAA C

ATOM 720 CG2 VAL A 126 92, .718 6. .660 -11, .901 1, .00 54, .59 AAAA C

ATOM 721 C VAL A 126 95, .418 7, .213 -13, .480 1, .00 60, .39 AAAA C

ATOM 722 O VAL A 126 96 .142 7, .203 -12 .492 1 .00 60 .66 AAAA O

ATOM 723 N TYR A 127 95 .482 8, .152 -14 .414 1 .00 60 .28 AAAA N

ATOM 724 CA TYR A 127 96 .399 9, .273 -14 .302 1, .00 59 .69 AAAA C

ATOM 725 CB TYR A 127 97 .241 9, .427 -15 .567 1. .00 62 .64 AAAA C

ATOM 726 CG TYR A 127 98 .305 8, .378 -15 .723 1, .00 67 .04 AAAA C

ATOM 727 CD1 TYR A 127 98 .201 7 .395 -16 .707 1 .00 69 .51 AAAA C

ATOM 728 CEl TYR A 127 99 .180 6 .403 -16 .844 1 .00 72 .25 AAAA C

ATOM 729 CD2 TYR A 127 99 .414 8 .353 -14 .873 1 .00 67 .43 AAAA C

ATOM 730 CE2 TYR A 127 100 .400 7 .367 -14 .996 1 .00 70 .16 AAAA C

ATOM 731 CZ TYR A 127 100 .278 6 .392 -15 .984 1 .00 72 .37 AAAA C

ATOM 732 OH TYR A 127 101 .230 5 .395 -16 .101 1 .00 72 .73 AAAA O

ATOM 733 C TYR A 127 95 .586 10 .541 -14 .095 1 .00 57 .74 AAAA C ATOM 734 O TYR A 127 94.864 10.974 -14.992 1.00 58.70 AAAA O

ATOM 735 N LEU A 128 95.691 11.133 -12.914 1.00 54.35 AAAA N

ATOM 736 CA LEU A 128 94.964 12.360 -12.642 1.00 52.91 AAAA C

ATOM 737 CB LEU A 128 94.752 12.509 -11.140 1.00 51.47 AAAA C

ATOM 738 CG LEU A 128 94.072 13.787 -10.668 1.00 51.59 AAAA C

ATOM 739 CD1 LEU A 128 92.834 14.112 -11.503 1.00 50.59 AAAA C

ATOM 740 CD2 LEU A 128 93.724 13.597 -9.215 1.00 52.56 AAAA C

ATOM 741 C LEU A 128 95.762 13.538 -13.204 1.00 53.03 AAAA C

ATOM 742 O LEU A 128 96.986 13.586 -13.073 1.00 52.02 AAAA O

ATOM 743 N ASN A 129 95.075 14.482 -13.836 1.00 51.42 AAAA N

ATOM 744 CA ASN A 129 95.762 15.621 -14.426 1.00 49.35 AAAA C

ATOM 745 CB ASN A 129 95.550 15.627 -15.937 1.00 48.74 AAAA C

ATOM 746 CG ASN A 129 96.294 14.510 -16.632 1.00 50.83 AAAA C

ATOM 747 ODl ASN A 129 97.474 14.640 -16.953 1.00 50.28 AAAA O

ATOM 748 ND2 ASN A 129 95.609 13.395 -16.860 1.00 49.88 AAAA N

ATOM 749 C ASN A 129 95.326 16.953 -13.852 1.00 49.66 AAAA C

ATOM 750 O ASN A 129 94.372 17.567 -14.327 1.00 51.08 AAAA O

ATOM 751 N LEU A 130 96.041 17.407 -12.834 1.00 49.83 AAAA N

ATOM 752 CA LEU A 130 95.714 18.673 -12.213 1.00 49.68 AAAA C

ATOM 753 CB LEU A 130 96.327 18.760 -10.824 1.00 50.72 AAAA C

ATOM 754 CG LEU A 130 95.982 17.570 -9.935 1.00 48.51 AAAA C

ATOM 755 CD1 LEU A 130 96.822 16.373 -10.352 1.00 50.83 AAAA C

ATOM 756 CD2 LEU A 130 96.262 17.920 -8.492 1.00 49.23 AAAA C

ATOM 757 C LEU A 130 96.264 19.768 -13.090 1.00 50.40 AAAA C

ATOM 758 O LEU A 130 97.467 19.839 -13.317 1.00 50.88 AAAA O

ATOM 759 N VAL A 131 95.373 20.607 -13.598 1.00 50.59 AAAA N

ATOM 760 CA VAL A 131 95.768 21.701 -14.460 1.00 52.03 AAAA C

ATOM 761 CB VAL A 131 94.786 21.844 -15.617 1.00 52.18 AAAA C

ATOM 762 CGI VAL A 131 95.211 22.983 -16.519 1.00 53.92 AAAA C

ATOM 763 CG2 VAL A 131 94.724 20.533 -16.386 1.00 52.69 AAAA C

ATOM 764 C VAL A 131 95.805 22.972 -13.629 1.00 53.98 AAAA C

ATOM 765 O VAL A 131 94.841 23.732 -13.574 1.00 57.00 AAAA O

ATOM 766 N LEU A 132 96.943 23.181 -12.979 1.00 57.11 AAAA N

ATOM 767 CA LEU A 132 97.175 24.321 -12.098 1.00 58.67 AAAA C

ATOM 768 CB LEU A 132 98.270 23.968 -11.086 1.00 57.68 AAAA C

ATOM 769 CG LEU A 132 98.282 22.562 -10.468 1.00 58.57 AAAA C

ATOM 770 CD1 LEU A 132 99.677 22.241 -9.925 1.00 59.21 AAAA C

ATOM 771 CD2 LEU A 132 97.229 22.465 -9.373 1.00 60.11 AAAA C

ATOM 772 C LEU A 132 97.610 25.558 -12.867 1.00 60.89 AAAA C

ATOM 773 O LEU A 132 97.764 25.526 -14.086 1.00 60.56 AAAA O

ATOM 774 N ASP A 133 97.811 26.649 -12.141 1.00 63.75 AAAA N

ATOM 775 CA ASP A 133 98.257 27.881 -12.763 1.00 67.86 AAAA C ATOM 776 CB ASP A 133 97..692 29.,092 -12.,028 1.,00 69.,44 AAAA C

ATOM 777 CG ASP A 133 96, .299 29. ,460 -12. ,504 1. ,00 73. .70 AAAA C

ATOM 778 ODl ASP A 133 96, ,104 29. ,628 -13. ,739 1. ,00 73. .73 AAAA O

ATOM 779 OD2 ASP A 133 95. ,404 29. ,588 -11. ,638 1. 00 75. ,62 AAAA O

ATOM 780 C ASP A 133 99. ,780 27. ,940 -12, ,777 1. 00 68. .79 AAAA C

ATOM 781 O ASP A 133 100. .441 27. ,499 -11, ,831 1. ,00 68. .25 AAAA O

ATOM 782 N TYR A 134 100, ,326 28, ,491 -13. ,860 1. 00 68. .90 AAAA N

ATOM 783 CA TYR A 134 101, ,770 28. ,595 -14. ,032 1. ,00 69. .35 AAAA C

ATOM 784 CB TYR A 134 102. ,165 28, ,109 -15. ,423 1. ,00 70. .96 AAAA C

ATOM 785 CG TYR A 134 103. .639 28, ,257 -15. ,716 1. ,00 73. .49 AAAA C

ATOM 786 CD1 TYR A 134 104, ,584 27. ,468 -15. .056 1. .00 74. .41 AAAA C

ATOM 787 CEl TYR A 134 105, .941 27. .588 -15, .332 1, ,00 74. .29 AAAA C

ATOM 788 CD2 TYR A 134 104. .090 29. .178 -16, .660 1, ,00 74, .12 AAAA C

ATOM 789 CE2 TYR A 134 105. .443 29. .310 -16, .944 1, .00 74. .82 AAAA C

ATOM 790 CZ TYR A 134 106. .361 28. .511 -16, .278 1, .00 74, .82 AAAA C

ATOM 791 OH TYR A 134 107. .700 28. .633 -16. .561 1. .00 74. .41 AAAA O

ATOM 792 C TYR A 134 102. .387 29, .972 -13. .820 1. ,00 68, .96 AAAA C

ATOM 793 O TYR A 134 102. .004 30. ,965 -14. .449 1. .00 68. .54 AAAA O

ATOM 794 N VAL A 135 103. .358 30. .008 -12. .922 1. ,00 67. .63 AAAA N

ATOM 795 CA VAL A 135 104, .095 31. ,215 -12, ,633 1, ,00 66. .47 AAAA C

ATOM 796 CB VAL A 135 103. .696 31, .832 -11. .293 1. .00 67. .52 AAAA C

ATOM 797 CGI VAL A 135 104. .255 33, .236 -11, .195 1. .00 67, .98 AAAA C

ATOM 798 CG2 VAL A 135 102. .189 31, .854 -11, .167 1. .00 68. .97 AAAA C

ATOM 799 C VAL A 135 105, .508 30, .676 -12, .558 1. .00 65, .09 AAAA C

ATOM 800 O VAL A 135 105, .792 29, .763 -11, .779 1, .00 61 .97 AAAA O

ATOM 801 N PRO A 136 106, .408 31, .210 -13, .395 1. .00 65, .28 AAAA N

ATOM 802 CD PRO A 136 106, ,163 32, .288 -14, .376 1. .00 64, .39 AAAA C

ATOM 803 CA PRO A 136 107, .808 30, .772 -13, .431 1, .00 62, .15 AAAA C

ATOM 804 CB PRO A 136 108, .277 31, .266 -14, .794 1, ,00 61, .63 AAAA C

ATOM 805 CG PRO A 136 107 .564 32, .595 -14 .896 1, .00 64 .44 AAAA C

ATOM 806 C PRO A 136 108 .654 31 .333 -12 .294 1, .00 58 .85 AAAA C

ATOM 807 O PRO A 136 109 .712 30 .788 -11 .978 1, .00 58 .46 AAAA O

ATOM 808 N GLU A 137 108 .177 32 .413 -11 .679 1, .00 54 .92 AAAA N

ATOM 809 CA GLU A 137 108 .903 33 .061 -10 .596 1, .00 53 .59 AAAA C

ATOM 810 CB GLU A 137 108 .614 34 .559 -10 .632 1, .00 58 .42 AAAA C

ATOM 811 CG GLU A 137 109 .509 35 .400 -9 .730 1. .00 67 .15 AAAA C

ATOM 812 CD GLU A 137 110 .960 35 .436 -10 .197 1, .00 71 .24 AAAA C

ATOM 813 OEl GLU A 137 111 .525 36 .549 -10 .278 1 .00 73 .71 AAAA O

ATOM 814 OE2 GLU A 137 111 .541 34 .360 -10 .477 1. .00 73 .55 AAAA O

ATOM 815 C GLU A 137 108 .585 32 .508 -9 .208 1 .00 51 .83 AAAA C

ATOM 816 O GLU A 137 107 .423 32 .291 -8 .867 1 .00 48 .37 AAAA O

ATOM 817 N THR A 138 109 .625 32 .282 -8 .409 1 .00 48 .38 AAAA N ATOM 818 CA THR A 138 109.,451 31,,772 -7.,053 1.,00 46.,19 AAAA C

ATOM 819 CB THR A 138 109. ,921 30, ,322 -6. .901 1. ,00 46. ,02 AAAA C

ATOM 820 OG1 THR A 138 Ill, ,329 30, ,249 -7. ,160 1. ,00 42. .72 AAAA O

ATOM 821 CG2 THR A 138 109. ,161 29. ,412 -7. ,841 1. 00 42. ,26 AAAA C

ATOM 822 C THR A 138 110. ,288 32. ,582 -6. .090 1. .00 46. .45 AAAA C

ATOM 823 O THR A 138 111. ,314 33, ,137 -6. ,474 1. ,00 46. .14 AAAA O

ATOM 824 N VAL A 139 109. ,853 32, .633 -4. ,834 1. .00 41, .56 AAAA N

ATOM 825 CA VAL A 139 110. .581 33. .355 -3, ,806 1, ,00 40, .10 AAAA C

ATOM 826 CB VAL A 139 109. ,888 33. .200 -2. ,440 1. ,00 40, .37 AAAA C

ATOM 827 CGI VAL A 139 110, .785 33. .696 -1. ,331 1. ,00 36, ,27 AAAA C

ATOM 828 CG2 VAL A 139 108, ,588 33. ,984 -2. .437 1. ,00 38. ,94 AAAA c

ATOM 829 C VAL A 139 111. ,997 32. ,792 -3, .745 1. 00 43. .01 AAAA c

ATOM 830 O VAL A 139 112. ,925 33. ,456 -3. ,298 1, ,00 40. .74 AAAA 0

ATOM 831 N TYR A 140 112. .165 31. .561 -4. .213 1, ,00 45, .06 AAAA N

ATOM 832 CA TYR A 140 113. .481 30. .947 -4, .215 1, ,00 45, .98 AAAA C

ATOM 833 CB TYR A 140 113. .392 29. .458 -4. .555 1, ,00 46, .99 AAAA C

ATOM 834 CG TYR A 140 114, .755 28, .815 -4, .735 1. .00 46, .02 AAAA C

ATOM 835 CD1 TYR A 140 115. .596 28. .601 -3, .642 1. ,00 47, .79 AAAA C

ATOM 836 CEl TYR A 140 116. .870 28, .075 -3. .808 1. ,00 48, .49 AAAA C

ATOM 837 CD2 TYR A 140 115, .226 28, .479 -6, .007 1, .00 46 .07 AAAA C

ATOM 838 CE2 TYR A 140 116, .502 27, .955 -6, .185 1. .00 46 .76 AAAA c

ATOM 839 CZ TYR A 140 117, .319 27. .756 -5. .083 1. ,00 49, .64 AAAA c

ATOM 840 OH TYR A 140 118. .589 27. .246 -5. .257 1. .00 51, .32 AAAA 0

ATOM 841 C TYR A 140 114, .366 31. .630 -5. .246 1. ,00 47, .63 AAAA c

ATOM 842 O TYR A 140 115. .470 32. .067 -4. .937 1. ,00 46, .91 AAAA 0

ATOM 843 N ARG A 141 113. .881 31, .692 -6, .479 1. ,00 48, .43 AAAA N

ATOM 844 CA ARG A 141 114, .631 32, .321 -7, .553 1. .00 52 .88 AAAA C

ATOM 845 CB ARG A 141 113, .796 32, .336 -8, .838 1. .00 57 .38 AAAA C

ATOM 846 CG ARG A 141 113, .922 31 .072 -9 .666 1, ,00 65 .43 AAAA C

ATOM 847 CD ARG A 141 113, .227 31 .213 -11 .018 1. .00 72 .90 AAAA C

ATOM 848 NE ARG A 141 113 .814 30 .337 -12 .039 1. .00 78 .52 AAAA N

ATOM 849 CZ ARG A 141 114, .915 30, .621 -12, .743 1. .00 80, .24 AAAA C

ATOM 850 NHl ARG A 141 115 .374 29 .759 -13 .648 1, .00 80 .75 AAAA N

ATOM 851 NH2 ARG A 141 115 .552 31 .775 -12 .557 1, .00 79 .60 AAAA N

ATOM 852 C ARG A 141 115 .024 33 .747 -7 .168 1, .00 52 .49 AAAA C

ATOM 853 O ARG A 141 116 .197 34 .137 -7 .257 1, .00 53 .05 AAAA O

ATOM 854 N VAL A 142 114 .029 34 .516 -6 .739 1, .00 49 .62 AAAA N

ATOM 855 CA VAL A 142 114 .225 35 .894 -6 .334 1, .00 43 .89 AAAA C

ATOM 856 CB VAL A 142 112 .932 36 .469 -5 .765 1, .00 42 .84 AAAA C

ATOM 857 CGI VAL A 142 113 .185 37 .833 -5 .183 1 .00 42 .05 AAAA C

ATOM 858 CG2 VAL A 142 111 .884 36 .536 -6 .852 1 .00 42 .73 AAAA C

ATOM 859 C VAL A 142 115 .301 35 .977 -5 .272 1, .00 45 .32 AAAA c ATOM 860 O VAL A 142 116..278 36,.708 -5,.425 1,.00 44,.07 AAAA O

ATOM 861 N ALA A 143 115, .114 35, .218 -4, .195 1, .00 44, .41 AAAA N

ATOM 862 CA ALA A 143 116. ,065 35, .202 -3, .090 1, .00 44, .15 AAAA C

ATOM 863 CB ALA A 143 115, .614 3 .224 -2, .005 1 .00 42, .82 AAAA C

ATOM 864 C ALA A 143 117. .455 34, .833 -3, .575 1, .00 44, .81 AAAA C

ATOM 865 O ALA A 143 118, .427 35, .486 -3, .212 1, .00 45, .48 AAAA O

ATOM 866 N ARG A 144 117. .554 33, .786 -4. .392 1. ,00 46. .37 AAAA N

ATOM 867 CA ARG A 144 118, .851 33, .368 -4. .908 1, .00 48, .35 AAAA C

ATOM 868 CB ARG A 144 118. .741 32, .080 -5, .719 1. .00 46, .17 AAAA C

ATOM 869 CG ARG A 144 120. .101 31, .536 -6, .133 1, .00 49, .72 AAAA C

ATOM 870 CD ARG A 144 119, .986 30, .461 -7, .198 1, .00 52, .89 AAAA C

ATOM 871 NE ARG A 144 118, .923 30, .779 -8, .150 1, .00 58, .50 AAAA N

ATOM 872 CZ ARG A 144 118. .711 30, .137 -9. .296 1. ,00 57. .69 AAAA C

ATOM 873 NHl ARG A 144 119. .494 29, .129 -9. .668 1, .00 58. .80 AAAA N

ATOM 874 NH2 ARG A 144 117, .689 30, .489 -10. .063 1, ,00 57. .08 AAAA N

ATOM 875 C ARG A 144 119. .412 34, .474 -5, .785 1, .00 48, .48 AAAA C

ATOM 876 O ARG A 144 120, .622 34, .608 -5, .933 1, .00 47. .09 AAAA O

ATOM 877 N HIS A 145 118, .529 35, .275 -6. .364 1. .00 49. .12 AAAA N

ATOM 878 CA HIS A 145 118. .973 36, .371 -7. .204 1, ,00 51. .01 AAAA C

ATOM 879 CB HIS A 145 117. .789 37, .095 -7, .822 1, .00 54, .28 AAAA C

ATOM 880 CG HIS A 145 118, .192 38, .239 -8, .692 1, .00 59, .07 AAAA C

ATOM 881 CD2 HIS A 145 118. ,022 39, ,575 -8. .545 1. .00 61. .97 AAAA C

ATOM 882 NDl HIS A 145 118, .916 38, .068 -9, .853 1, .00 60, .80 AAAA N

ATOM 883 CEl HIS A 145 119, ,177 39, .251 -10, .383 1. .00 62. .43 AAAA C

ATOM 884 NE2 HIS A 145 118, .646 40, .181 -9, .608 1, .00 61. .36 AAAA N

ATOM 885 C HIS A 145 119. .776 37, .367 -6, .389 1, .00 51. .49 AAAA C

ATOM 886 O HIS A 145 120, .920 37, .664 -6. .709 1, .00 51. .28 AAAA O

ATOM 887 N TYR A 146 119. .162 37, .893 -5. .337 1, .00 52. .34 AAAA N

ATOM 888 CA TYR A 146 119. .837 38, .851 -4, .474 1. .00 52. .16 AAAA C

ATOM 889 CB TYR A 146 118, .905 39, .331 -3, .363 1, ,00 51, .66 AAAA C

ATOM 890 CG TYR A 146 117. .855 40, .291 -3. .842 1. .00 52. .32 AAAA C

ATOM 891 CD1 TYR A 146 116. .815 39, .859 -4, .653 1. .00 56, .71 AAAA C

ATOM 892 CEl TYR A 146 115. .855 40, .748 -5, .127 1, .00 59. .21 AAAA C

ATOM 893 CD2 TYR A 146 117, .918 41, .641 -3, .510 1. .00 52. .31 AAAA C

ATOM 894 CE2 TYR A 146 116. .964 42, .543 -3, .980 1. ,00 55. .08 AAAA C

ATOM 895 CZ TYR A 146 115, .934 42 .089 -4 .789 1. .00 57, .41 AAAA C

ATOM 896 OH TYR A 146 114, .983 42, .963 -5, .270 1. .00 53. .35 AAAA O

ATOM 897 C TYR A 146 121, .076 38 .251 -3, .845 1. .00 52, .63 AAAA C

ATOM 898 O TYR A 146 122. .104 38, .906 -3, .714 1. .00 53. .86 AAAA O

ATOM 899 N SER A 147 120 .967 36 .995 -3 .446 1. .00 53, .50 AAAA N

ATOM 900 CA SER A 147 122, .074 36 .307 -2, .823 1. .00 54. .29 AAAA C

ATOM 901 CB SER A 147 121, .680 34 .875 -2, .498 1. .00 53. .68 AAAA C ATOM 902 OG SER A 147 122,.777 34..188 -1,.935 1,.00 56..53 AAAA O

ATOM 903 C SER A 147 123, .289 36, .305 -3, .728 1. .00 57, .16 AAAA C

ATOM 904 O SER A 147 124, .399 36, .535 -3. .270 1. .00 58, .80 AAAA O

ATOM 905 N ARG A 148 123, .090 36, .043 -5, .014 1. .00 58, .34 AAAA N

ATOM 906 CA ARG A 148 124, .214 36, .027 -5, .936 1, .00 59, .58 AAAA C

ATOM 907 CB ARG A 148 123, .815 35. .338 -7, .251 1. .00 61, .28 AAAA C

ATOM 908 CG ARG A 148 123. .546 33. .837 -7, ,063 1. ,00 65. ,31 AAAA C

ATOM 909 CD ARG A 148 123. .657 33. .003 -8. .350 1, ,00 67. .62 AAAA C

ATOM 910 NE ARG A 148 122, .439 33. .006 -9, .160 1, .00 71, .59 AAAA N

ATOM 911 CZ ARG A 148 121, .887 31. .911 -9. .684 1. ,00 73. .74 AAAA C

ATOM 912 NHl ARG A 148 122, .442 30. ,719 -9, ,481 1, .00 73, .37 AAAA N

ATOM 913 NH2 ARG A 148 120. .781 32. ,008 -10, ,415 1. .00 73. .15 AAAA N

ATOM 914 C ARG A 148 124. .740 37. .442 -6. ,175 1. ,00 61. .19 AAAA C

ATOM 915 O ARG A 148 125, .918 37. .627 -6, .483 1. ,00 61. .16 AAAA O

ATOM 916 N ALA A 149 123. .866 38. .435 -6. .010 1. .00 61. .70 AAAA N

ATOM 917 CA ALA A 149 124. .231 39. .845 -6. .171 1. ,00 60. .70 AAAA C

ATOM 918 CB ALA A 149 123, ,012 40, .656 -6. .556 1, .00 59, .53 AAAA C

ATOM 919 C ALA A 149 124. .804 40. .359 -4. ,847 1. ,00 63. .31 AAAA C

ATOM 920 O ALA A 149 125, .034 41. .555 -4, .663 1. .00 63. .17 AAAA O

ATOM 921 N LYS A 150 125, .010 39. .425 -3. .925 1. .00 66. .71 AAAA N

ATOM 922 CA LYS A 150 125, .564 39. .683 -2. .599 1, .00 67. ,22 AAAA C

ATOM 923 CB LYS A 150 126, .997 40, ,196 -2, .725 1. .00 67, .40 AAAA C

ATOM 924 CG LYS A 150 127, .945 39, .127 -3, .250 1. .00 69, .31 AAAA C

ATOM 925 CD LYS A 150 129, .391 39, .492 -3. .008 1. .00 74, .50 AAAA C

ATOM 926 CE LYS A 150 130. .308 38. .310 -3, .294 1. .00 78. .73 AAAA C

ATOM 927 NZ LYS A 150 131, .667 38, .534 -2, .709 1, .00 81, .11 AAAA N

ATOM 928 C LYS A 150 124, .768 40. .564 -1. .647 1. .00 66. .84 AAAA C

ATOM 929 O LYS A 150 125, .105 40. .655 -0. .465 1. .00 68. .84 AAAA O

ATOM 930 N GLN A 151 123, .711 41. .199 -2, .136 1, .00 65, .91 AAAA N

ATOM 931 CA GLN A 151 122 .894 42, .025 -1, .258 1, .00 65 .98 AAAA C

ATOM 932 CB GLN A 151 122, .412 43, .274 -1, .991 1, .00 67, .81 AAAA C

ATOM 933 CG GLN A 151 121, .886 43, .019 -3. .373 1, .00 71, .39 AAAA C

ATOM 934 CD GLN A 151 122, .043 44. .239 -4, .255 1, .00 75, .40 AAAA C

ATOM 935 OEl GLN A 151 123 .163 44, .698 -4, .493 1, .00 76 .04 AAAA O

ATOM 936 NE2 GLN A 151 120, .926 44, .778 -4, .741 1, .00 75, .92 AAAA N

ATOM 937 C GLN A 151 121 .712 41, .236 -0, .694 1 .00 64 .48 AAAA C

ATOM 938 O GLN A 151 121 .512 40, .068 -1, .028 1 .00 63 .20 AAAA O

ATOM 939 N THR A 152 120 .929 41, .877 0, .165 1, .00 63 .79 AAAA N

ATOM 940 CA THR A 152 119, .796 41. .209 0. .796 1, .00 61, .19 AAAA C

ATOM 941 CB THR A 152 119 .840 41, .429 2, .340 1, .00 62, .68 AAAA C

ATOM 942 OG1 THR A 152 118 .965 40 .497 2 .994 1 .00 64 .80 AAAA O

ATOM 943 CG2 THR A 152 119 .432 42, .864 2, .689 1, .00 60 .88 AAAA C ATOM 944 C THR A 152 118,.458 41,,694 0..243 1..00 58,.47 AAAA C

ATOM 945 O THR A 152 118, .348 42. .820 -0. .240 1. .00 57, .37 AAAA O

ATOM 946 N LEU A 153 117, .446 40, .836 0. .314 1. .00 55. .41 AAAA N

ATOM 947 CA LEU A 153 116. .111 41. .181 -0. ,166 1. ,00 53. .43 AAAA C

ATOM 948 CB LEU A 153 115, ,175 39. .968 -0. ,028 1. .00 49, .69 AAAA C

ATOM 949 CG LEU A 153 113, ,729 40. .116 -0. ,510 1, ,00 52, .18 AAAA C

ATOM 950 CD1 LEU A 153 113, .694 40, .421 -2. ,001 1. ,00 52, .41 AAAA C

ATOM 951 CD2 LEU A 153 112. .967 38. .843 -0. ,222 1. ,00 52. .61 AAAA C

ATOM 952 C LEU A 153 115, .541 42, .373 0. ,621 1. ,00 52, .80 AAAA C

ATOM 953 O LEU A 153 115, .711 42. .464 1. ,842 1, .00 52, .58 AAAA O

ATOM 954 N PRO A 154 114, .883 43, .319 -0. .077 1, .00 51, .02 AAAA N

ATOM 955 CD PRO A 154 114. .875 43, .481 -1. .543 1. ,00 52, .52 AAAA C

ATOM 956 CA PRO A 154 114, .293 44, .493 0. .575 1. ,00 49, .37 AAAA C

ATOM 957 CB PRO A 154 113. .679 45. .261 -0. .588 1. ,00 49, .39 AAAA C

ATOM 958 CG PRO A 154 114, .647 44, .967 -1. .697 1. .00 50, .79 AAAA C

ATOM 959 C PRO A 154 113. .256 44, .085 1. .615 1, .00 47 .79 AAAA C

ATOM 960 O PRO A 154 112, .419 43, .212 1, .385 1, .00 44, .71 AAAA O

ATOM 961 N VAL A 155 113 .325 44 .729 2, .765 1, .00 44 .01 AAAA N

ATOM 962 CA VAL A 155 112, .424 44. .424 3. .852 1. ,00 44, .21 AAAA C

ATOM 963 CB VAL A 155 112, .602 45, .418 4. .990 1, .00 43, .88 AAAA C

ATOM 964 CGI VAL A 155 111, .846 44, .940 6. .215 1. .00 41, .50 AAAA C

ATOM 965 CG2 VAL A 155 114, .073 45, .604 5, .275 1, .00 43, .63 AAAA C

ATOM 966 C VAL A 155 110, .972 44, .465 3, .422 1. .00 44, .60 AAAA C

ATOM 967 O VAL A 155 110, .149 43, .667 3, .886 1. .00 43 .72 AAAA O

ATOM 968 N ILE A 156 110, .649 45, .406 2. .545 1. .00 41, .98 AAAA N

ATOM 969 CA ILE A 156 109, .278 45 .532 2, .097 1. .00 39 .78 AAAA C

ATOM 970 CB ILE A 156 109, .122 46, .647 1, .052 1. .00 36, .66 AAAA C

ATOM 971 CG2 ILE A 156 109, .911 46 .325 -0, .211 1, .00 34 .58 AAAA C

ATOM 972 CGI ILE A 156 107, .642 46, .825 0, .740 1. .00 33, .21 AAAA C

ATOM 973 CD1 ILE A 156 106 .795 47 .049 1, .989 1. .00 33 .01 AAAA C

ATOM 974 C ILE A 156 108, .781 44, .227 1, ,501 1. .00 42, .09 AAAA C

ATOM 975 O ILE A 156 107 .653 43 .806 1, .757 1, .00 43 .54 AAAA O

ATOM 976 N TYR A 157 109 .635 43 .583 0 .713 1, .00 40 .26 AAAA N

ATOM 977 CA TYR A 157 109 .278 42 .335 0 .077 1, .00 42 .35 AAAA C

ATOM 978 CB TYR A 157 110 .245 42 .050 -1, .070 1, .00 46 .26 AAAA C

ATOM 979 CG TYR A 157 109 .975 42 .934 -2, .274 1, .00 50 .24 AAAA C

ATOM 980 GDI TYR A 157 110 .962 43 .774 -2 .795 1, .00 53 .00 AAAA C

ATOM 981 CEl TYR A 157 110 .701 44 .600 -3, .897 1, .00 53 .49 AAAA C

ATOM 982 CD2 TYR A 157 108 .717 42 .940 -2 .883 1 .00 52 .16 AAAA C

ATOM 983 CE2 TYR A 157 108 .446 43 .760 -3. .979 1 .00 54 .28 AAAA C

ATOM 984 CZ TYR A 157 109 .438 44 .588 -4 .482 1 .00 55 .59 AAAA C

ATOM 985 OH TYR A 157 109 .153 45 .404 -5 .562 1 .00 62 .39 AAAA O ATOM 986 C TYR A 157 109.253 41..200 1.,079 1.00 41.,15 AAAA C

ATOM 987 0 TYR A 157 108. ,432 40. ,295 0, ,977 1. ,00 37. ,23 AAAA O

ATOM 988 N VAL A 158 110. ,141 41. ,255 2, ,062 1. ,00 38. ,93 AAAA N

ATOM 989 CA VAL A 158 110. ,176 40. .222 3. ,086 1. ,00 35, ,75 AAAA C

ATOM 990 CB VAL A 158 111. ,353 40. ,434 4. ,052 1. 00 35. ,07 AAAA C

ATOM 991 CGI VAL A 158 111. ,204 39, ,545 5, ,252 1. ,00 33, ,20 AAAA C

ATOM 992 CG2 VAL A 158 112, ,650 40, ,123 3, ,353 1. ,00 32. .26 AAAA C

ATOM 993 C VAL A 158 108, ,866 40. ,235 3. ,867 1. ,00 38. ,00 AAAA C

ATOM 994 O VAL A 158 108. ,356 39. ,186 4. ,245 1. ,00 40. ,59 AAAA O

ATOM 995 N LYS A 159 108. ,315 41. .423 4, ,099 1. ,00 37. ,25 AAAA N

ATOM 996 CA LYS A 159 107. ,053 41. .546 4, .831 1, ,00 40. ,58 AAAA C

ATOM 997 CB LYS A 159 106. ,806 42. .996 5, ,235 1, ,00 43. .09 AAAA C

ATOM 998 CG LYS A 159 107, ,911 43. .626 6. .029 1, ,00 44. .25 AAAA C

ATOM 999 CD LYS A 159 107, .440 44. .958 6. ,585 1, ,00 46. .14 AAAA C

ATOM 1000 CE LYS A 159 108, .516 45, .642 7. ,409 1, ,00 44. .10 AAAA C

ATOM 1001 NZ LYS A 159 107, .983 46. .847 8. .093 1, ,00 49. .36 AAAA N

ATOM 1002 C LYS A 159 105. .873 41, .100 3, .974 1. .00 41, .73 AAAA C

ATOM 1003 O LYS A 159 104. .939 40, .447 4, .447 1. .00 42. .69 AAAA O

ATOM 1004 N LEU A 160 105, .933 41, .479 2. ,706 1. .00 42. .32 AAAA N

ATOM 1005 CA LEU A 160 104. .890 41. .183 1, ,739 1. ,00 44, .13 AAAA C

ATOM 1006 CB LEU A 160 105, .200 41, .932 0, ,441 1. .00 48. .28 AAAA C

ATOM 1007 CG LEU A 160 104, .069 42, .691 -0. .270 1. .00 53, .00 AAAA C

ATOM 1008 CD1 LEU A 160 103. .161 43, .409 0. .728 1. .00 53. .40 AAAA C

ATOM 1009 CD2 LEU A 160 104. .698 43, .694 -1. .216 1, .00 52. .17 AAAA C

ATOM 1010 C LEU A 160 104, .743 39 .696 1, .462 1, .00 43, .86 AAAA C

ATOM 1011 O LEU A 160 103, .636 39. .161 1, .432 1, ,00 43, .52 AAAA O

ATOM 1012 N TYR A 161 105, .877 39, .038 1, .265 1, .00 41, .61 AAAA N

ATOM 1013 CA TYR A 161 105, .917 37, .617 0, .974 1. ,00 38, .52 AAAA C

ATOM 1014 CB TYR A 161 107 .321 37 .237 0, .529 1, .00 39, .13 AAAA C

ATOM 1015 CG TYR A 161 107 .775 37 .907 -0, .744 1, .00 40, .53 AAAA C

ATOM 1016 CD1 TYR A 161 109 .113 37 .855 -1, .129 1, .00 41, .40 AAAA C

ATOM 1017 CEl TYR A 161 109 .542 38 .429 -2 .311 1 .00 39 .85 AAAA C

ATOM 1018 CD2 TYR A 161 106 .870 38 .561 -1 .581 1 .00 39 .70 AAAA C

ATOM 1019 CE2 TYR A 161 107 .286 39 .141 -2 .766 1 .00 43 .15 AAAA C

ATOM 1020 CZ TYR A 161 108 .630 39 .067 -3 .125 1, .00 43 .38 AAAA C

ATOM 1021 OH TYR A 161 109 .071 39 .617 -4 .309 1 .00 47 .40 AAAA O

ATOM 1022 C TYR A 161 105 .529 36 .784 2 .184 1 .00 36 .68 AAAA C

ATOM 1023 O TYR A 161 104 .649 35 .922 2 .102 1 .00 36 .18 AAAA O

ATOM 1024 N MET A 162 106 .197 37 .041 3 .305 1 .00 32 .66 AAAA N

ATOM 1025 CA MET A 162 105 .924 36 .308 4 .529 1 .00 31 .94 AAAA C

ATOM 1026 CB MET A 162 106 .863 36 .767 5 .651 1 .00 34 .68 AAAA C

ATOM 1027 CG MET A 162 108 .284 36 .240 5 .537 1 .00 30 .33 AAAA C ATOM 1028 SD MET A 162 108..308 34.,465 5..218 1..00 30..95 AAAA S

ATOM 1029 CE MET A 162 107. .839 33, .817 6. .832 1, .00 22, .83 AAAA C

ATOM 1030 C MET A 162 104. .480 36, ,492 4. .964 1. ,00 36. ,79 AAAA C

ATOM 1031 O MET A 162 103. .844 35, ,560 5. .463 1. ,00 38. ,76 AAAA O

ATOM 1032 N TYR A 163 103, .961 37. .698 4, .773 1, ,00 35. .64 AAAA N

ATOM 1033 CA TYR A 163 102. ,596 37. .979 5. .156 1. .00 36, .99 AAAA C

ATOM 1034 CB TYR A 163 102, ,242 39. ,421 4. .831 1. .00 35. .41 AAAA C

ATOM 1035 CG TYR A 163 100. .830 39. ,758 5. .233 1, .00 32. .77 AAAA C

ATOM 1036 CD1 TYR A 163 100. .483 39. ,900 6. .577 1, .00 32. .80 AAAA C

ATOM 1037 CEl TYR A 163 99. .174 40. ,180 6. .957 1. ,00 32, ,70 AAAA c

ATOM 1038 CD2 TYR A 163 99. .828 39. ,905 4. .272 1, .00 35. .43 AAAA c

ATOM 1039 CE2 TYR A 163 98. .513 40. ,187 4. .639 1. ,00 33. .51 AAAA c

ATOM 1040 CZ TYR A 163 98. .194 40, ,325 5. .984 1. ,00 35. .18 AAAA c

ATOM 1041 OH TYR A 163 96, ,896 40. .625 6. ,347 1. ,00 40, ,06 AAAA O

ATOM 1042 C TYR A 163 101, .643 37. ,058 4. .411 1, .00 37. .52 AAAA c

ATOM 1043 O TYR A 163 100, ,865 36, .315 5, .010 1. .00 38, .03 AAAA O

ATOM 1044 N GLN A 164 101. .716 37. .117 3. .091 1. ,00 37. .92 AAAA N

ATOM 1045 CA GLN A 164 100, .857 36. .304 2, .241 1. .00 39. .33 AAAA C

ATOM 1046 CB GLN A 164 101. .155 36. .613 0, .769 1. .00 39, .49 AAAA c

ATOM 1047 CG GLN A 164 101, .027 38, .105 0, .434 1. .00 38, .33 AAAA c

ATOM 1048 CD GLN A 164 101, .219 38. ,411 -1, .039 1. .00 41, .41 AAAA c

ATOM 1049 OEl GLN A 164 100, .390 38, .048 -1, .877 1, .00 45. .96 AAAA 0

ATOM 1050 NE2 GLN A 164 102, .316 39. .083 -1, .364 1. .00 38. .07 AAAA N

ATOM 1051 C GLN A 164 101, .032 34, .817 2, .521 1. .00 37, .58 AAAA c

ATOM 1052 O GLN A 164 100. .070 34. .048 2, .475 1. .00 35. .16 AAAA 0

ATOM 1053 N LEU A 165 102, .268 34, .415 2 .804 1, .00 37. .15 AAAA N

ATOM 1054 CA LEU A 165 102, .552 33, .022 3, .113 1. .00 35. ,27 AAAA C

ATOM 1055 CB LEU A 165 104, .026 32, .842 3 .473 1. .00 33, .03 AAAA C

ATOM 1056 CG LEU A 165 104, .425 31, .495 4, .083 1. .00 31. .15 AAAA c

ATOM 1057 CD1 LEU A 165 104, .084 30, ,369 3 .133 1. .00 25. .07 AAAA c

ATOM 1058 CD2 LEU A 165 105, .910 31, ,504 4, .395 1. .00 30, .11 AAAA c

ATOM 1059 C LEU A 165 101, .684 32, .621 4 .295 1, .00 36, .00 AAAA c

ATOM 1060 O LEU A 165 101 .008 31 .601 4 .252 1, .00 37, .80 AAAA 0

ATOM 1061 N PHE A 166 101 .687 33, .438 5 .346 1, .00 37, .63 AAAA N

ATOM 1062 CA PHE A 166 100 .885 33 .143 6 .528 1, .00 36, .87 AAAA C

ATOM 1063 CB PHE A 166 101 .172 34 .154 7 .618 1, .00 32, .62 AAAA C

ATOM 1064 CG PHE A 166 102 .486 33 .938 8 .273 1, .00 32 .97 AAAA C

ATOM 1065 CD1 PHE A 166 103 .494 34 .884 8 .172 1, .00 33, .51 AAAA c

ATOM 1066 CD2 PHE A 166 102 .746 32 .743 8 .931 1 .00 33 .78 AAAA c

ATOM 1067 CEl PHE A 166 104 .747 34 .642 8 .713 1, .00 30 .58 AAAA c

ATOM 1068 CE2 PHE A 166 103 .992 32 .488 9 .476 1 .00 34 .23 AAAA c

ATOM 1069 CZ PHE A 166 105 .001 33 .438 9 .366 1, .00 34 .12 AAAA c ATOM 1070 C PHE A 166 99.,395 33..066 6.,282 1.00 38.,94 AAAA C

ATOM 1071 O PHE A 166 98. .720 32. .199 6, ,833 1. ,00 40. ,92 AAAA O

ATOM 1072 N ARG A 167 98, .874 33. .969 5, ,461 1. ,00 39. ,49 AAAA N

ATOM 1073 CA ARG A 167 97. ,454 33. ,948 5. ,160 1. 00 40. ,05 AAAA C

ATOM 1074 CB ARG A 167 97. ,068 35. ,092 4. .216 1. 00 44. ,13 AAAA C

ATOM 1075 CG ARG A 167 97. ,054 36, ,472 4. ,839 1. 00 48, ,74 AAAA C

ATOM 1076 CD ARG A 167 96. ,345 37. ,435 3. .914 1. 00 51. ,89 AAAA C

ATOM 1077 NE ARG A 167 94. ,925 37. ,115 3, ,821 1, ,00 53. .44 AAAA N

ATOM 1078 CZ ARG A 167 94, ,111 37. .564 2, .871 1, ,00 49. .69 AAAA C

ATOM 1079 NHl ARG A 167 94, ,575 38, .358 1, ,916 1, ,00 51. .65 AAAA N

ATOM 1080 NH2 ARG A 167 92. ,830 37. ,218 2. ,877 1. ,00 45. .98 AAAA N

ATOM 1081 C ARG A 167 97, ,103 32. .625 4. ,504 1. ,00 38. ,31 AAAA C

ATOM 1082 O ARG A 167 96. ,103 32. ,000 4, ,851 1. ,00 40. .25 AAAA O

ATOM 1083 N SER A 168 97, .920 32, .198 3, .547 1, .00 34. .46 AAAA N

ATOM 1084 CA SER A 168 97, .643 30, ,946 2. .863 1. ,00 36, .07 AAAA C

ATOM 1085 CB SER A 168 98, ,648 30, ,713 1, .725 1. ,00 36, .04 AAAA C

ATOM 1086 OG SER A 168 99, ,954 30, .451 2, .203 1. ,00 40. ,69 AAAA O

ATOM 1087 C SER A 168 97, .702 29, ,818 3. .882 1. .00 33, .41 AAAA C

ATOM 1088 0 SER A 168 96. .919 28. .869 3. .830 1. ,00 29. .98 AAAA O

ATOM 1089 N LEU A 169 98, .624 29, .945 4. .825 1. ,00 32. .17 AAAA N

ATOM 1090 CA LEU A 169 98, .781 28, .947 5. .861 1. ,00 34, ,58 AAAA C

ATOM 1091 CB LEU A 169 100, .015 29, .249 6, .689 1. .00 31, .38 AAAA C

ATOM 1092 CG LEU A 169 101, .088 28, .175 6, .559 1. .00 32, .68 AAAA C

ATOM 1093 CD1 LEU A 169 101, .161 27, .657 5. .128 1. .00 23, .40 AAAA C

ATOM 1094 CD2 LEU A 169 102, .412 28 .747 7. .019 1. .00 28, .93 AAAA C

ATOM 1095 C LEU A 169 97, .554 28 .980 6, .734 1. .00 39, .19 AAAA C

ATOM 1096 O LEU A 169 96, .939 27. .953 6, ,998 1. .00 38, .05 AAAA O

ATOM 1097 N ALA A 170 97 .191 30 .172 7, .181 1. .00 38, .60 AAAA N

ATOM 1098 CA ALA A 170 96 .014 30 .324 8, .015 1, .00 38, .58 AAAA C

ATOM 1099 CB ALA A 170 95 .748 31 .806 8, .278 1, .00 37, .22 AAAA C

ATOM 1100 C ALA A 170 94 .813 29 .691 7, .315 1, .00 40, .47 AAAA C

ATOM 1101 O ALA A 170 94 .059 28 .929 7 .914 1 .00 39 .41 AAAA O

ATOM 1102 N TYR A 171 94 .654 30 .004 6 .037 1 .00 42 .63 AAAA N

ATOM 1103 CA TYR A 171 93 .542 29 .487 5 .250 1 .00 43 .57 AAAA C

ATOM 1104 CB TYR A 171 93 .542 30 .137 3 .866 1, .00 44 .98 AAAA C

ATOM 1105 CG TYR A 171 92 .398 29 .706 2 .985 1, .00 46 .64 AAAA C

ATOM 1106 GDI TYR A 171 91 .105 30 .141 3 .237 1 .00 47 .43 AAAA C

ATOM 1107 CEl TYR A 171 90 .047 29 .735 2 .437 1 .00 45 .87 AAAA C

ATOM 1108 CD2 TYR A 171 92 .612 28 .852 1 .906 1 .00 45 .70 AAAA C

ATOM 1109 CE2 TYR A 171 91 .566 28 .441 1 .099 1 .00 46 .00 AAAA C

ATOM 1110 CZ TYR A 171 90 .283 28 .883 1 .369 1 .00 46 .55 AAAA C

ATOM llll OH TYR A 171 89 .233 28 .462 0 .588 1 .00 47 .42 AAAA O ATOM 1112 C TYR A 171 93.529 27.961 5.108 1.00 43.,30 AAAA C

ATOM 1113 O TYR A 171 92. 517 27. ,324 5. ,399 1. 00 46. ,89 AAAA O

ATOM 1114 N ILE A 172 94. 630 27. ,363 4. ,662 1. 00 40. ,35 AAAA N

ATOM 1115 CA ILE A 172 94. ,641 25. ,915 4, ,522 1. 00 39. ,47 AAAA C

ATOM 1116 CB ILE A 172 95. ,898 25. ,419 3, .787 1, ,00 39, .15 AAAA C

ATOM 1117 CG2 ILE A 172 96. ,028 26. .149 2. ,473 1. ,00 40. ,44 AAAA C

ATOM 1118 CGI ILE A 172 97. ,148 25. .626 4, ,642 1. ,00 41. ,12 AAAA C

ATOM 1119 CD1 ILE A 172 98. .389 24. .973 4, .061 1. ,00 39. .76 AAAA C

ATOM 1120 C ILE A 172 94. ,540 25. .211 5. .874 1, ,00 40. .84 AAAA C

ATOM 1121 O ILE A 172 93. ,951 24. .139 5, .978 1, ,00 41. .92 AAAA O

ATOM 1122 N HIS A 173 95, ,103 25. .805 6, ,918 1. ,00 39, .97 AAAA N

ATOM 1123 CA HIS A 173 95. .034 25. ,185 8, ,233 1. ,00 41. ,46 AAAA C

ATOM 1124 CB HIS A 173 95. ,949 25. ,904 9. .229 1, .00 39, .54 AAAA C

ATOM 1125 CG HIS A 173 97. ,407 25. .629 9. .020 1, ,00 38. .91 AAAA C

ATOM 1126 CD2 HIS A 173 98. .052 24, .892 8, .084 1. ,00 36. ,89 AAAA C

ATOM 1127 NDl HIS A 173 98. .386 26. .159 9, ,830 1, ,00 38. .01 AAAA N

ATOM 1128 CEl HIS A 173 99. .571 25. ,763 9. ,401 1, .00 36, .79 AAAA C

ATOM 1129 NE2 HIS A 173 99. .396 24, .994 8. .343 1, ,00 38, ,05 AAAA N

ATOM 1130 C HIS A 173 93. .610 25, .187 8. .764 1. .00 44, .13 AAAA C

ATOM 1131 O HIS A 173 93, .201 24, .256 9, .457 1, .00 44, .83 AAAA O

ATOM 1132 N SER A 174 92, .850 26, .231 8. .444 1, .00 44, .17 AAAA N

ATOM 1133 CA SER A 174 91, ,465 26, .326 8, .905 1. ,00 46, .02 AAAA C

ATOM 1134 CB SER A 174 90, .787 27, .572 8, .345 1. .00 44, .49 AAAA C

ATOM 1135 OG SER A 174 90, ,707 27, .497 6, .932 1, .00 45, .95 AAAA O

ATOM 1136 C SER A 174 90. .674 25, .092 8, .480 1. .00 46, .82 AAAA C

ATOM 1137 O SER A 174 89. .648 24, .787 9, .082 1. .00 44, .39 AAAA O

ATOM 1138 N PHE A 175 91. .140 24, .402 7, .436 1, .00 45, .29 AAAA N

ATOM 1139 CA PHE A 175 90, .487 23, .177 6, .957 1. .00 44, .49 AAAA C

ATOM 1140 CB PHE A 175 90 .622 23 .013 5 .442 1. .00 44 .81 AAAA C

ATOM 1141 CG PHE A 175 89, .879 24 .033 4 .643 1, .00 50 .19 AAAA C

ATOM 1142 CD1 PHE A 175 90 .462 25 .261 4 .345 1, .00 48 .90 AAAA C

ATOM 1143 CD2 PHE A 175 88, .598 23 .761 4 .171 1, .00 49, .99 AAAA C

ATOM 1144 CEl PHE A 175 89, .783 26 .203 3 .586 1, .00 53 .83 AAAA C

ATOM 1145 CE2 PHE A 175 87 .909 24 .693 3 .414 1, .00 52 .31 AAAA C

ATOM 1146 CZ PHE A 175 88, .501 25 .920 3, .118 1, .00 52 .57 AAAA C

ATOM 1147 C PHE A 175 91, .102 21 .930 7 .597 1, .00 42 .60 AAAA C

ATOM 1148 O PHE A 175 90 .617 20 .824 7 .378 1 .00 41 .41 AAAA O

ATOM 1149 N GLY A 176 92 .174 22 .112 8 .367 1 .00 41 .46 AAAA N

ATOM 1150 CA GLY A 176 92 .845 20 .989 8 .999 1 .00 40 .65 AAAA C

ATOM 1151 C GLY A 176 93 .920 20 .433 8 .079 1 .00 41 .99 AAAA C

ATOM 1152 O GLY A 176 94 .542 19 .410 8 .361 1 .00 43 .69 AAAA O

ATOM 1153 N ILE A 177 94 .142 21 .124 6 .970 1 .00 40 .58 AAAA N ATOM 1154 CA ILE A 177 95.,131 20.,710 5,,990 1..00 42,,19 AAAA C

ATOM 1155 CB ILE A 177 94. ,752 21. ,229 4, ,608 1. ,00 43. ,27 AAAA C

ATOM 1156 CG2 ILE A 177 95. ,799 20. ,826 3, .603 1. .00 45. ,78 AAAA C

ATOM 1157 CGI ILE A 177 93. .382 20, ,688 4, .217 1. ,00 44, ,02 AAAA C

ATOM 1158 CD1 ILE A 177 92. ,794 21. ,391 3. .040 1. ,00 43, ,83 AAAA C

ATOM 1159 C ILE A 177 96. .527 21. ,221 6, .323 1. ,00 41, .41 AAAA C

ATOM 1160 O ILE A 177 96. .718 22. ,404 6, .588 1, ,00 40. .05 AAAA O

ATOM 1161 N CYS A 178 97. .502 20, ,321 6, .310 1, ,00 43. .09 AAAA N

ATOM 1162 CA CYS A 178 98. .883 20. ,691 6. ,590 1. ,00 40. .79 AAAA C

ATOM 1163 CB CYS A 178 99. .473 19, .790 7, .684 1, .00 41, .50 AAAA C

ATOM 1164 SG CYS A 178 101. .088 20. .305 8, .374 1. .00 46, .68 AAAA S

ATOM 1165 C CYS A 178 99, .618 20, .496 5, .271 1. .00 40, .51 AAAA C

ATOM 1166 O CYS A 178 99, .458 19. .464 4. .616 1. .00 40. .90 AAAA O

ATOM 1167 N HIS A 179 100, .400 21, .497 4. .870 1. .00 39, .17 AAAA N

ATOM 1168 CA HIS A 179 101. .136 21. .438 3, ,611 1. .00 38, .86 AAAA C

ATOM 1169 CB HIS A 179 101, .594 22. .845 3, ,230 1. ,00 34, .80 AAAA C

ATOM 1170 CG HIS A 179 102. .215 22. .926 1. .875 1. ,00 31. .10 AAAA C

ATOM 1171 CD2 HIS A 179 101, .706 23, .328 0, .686 1. .00 24, .59 AAAA C

ATOM 1172 NDl HIS A 179 103, .513 22. .532 1, .626 1. .00 23, .25 AAAA N

ATOM 1173 CEl HIS A 179 103, .777 22, .689 0, .340 1, .00 25, .90 AAAA C

ATOM 1174 NE2 HIS A 179 102, .697 23, .170 -0, .252 1. .00 25, .22 AAAA N

ATOM 1175 C HIS A 179 102, .324 20. .470 3, .701 1. .00 40, .84 AAAA C

ATOM 1176 O HIS A 179 102, .612 19. .721 2, ,758 1. .00 40, .12 AAAA O

ATOM 1177 N ARG A 180 103, .001 20. .493 4, .845 1. .00 40, .70 AAAA N

ATOM 1178 CA ARG A 180 104. .126 19, .607 5, .101 1, .00 41, .70 AAAA C

ATOM 1179 CB ARG A 180 103 .644 18, .159 5 .093 1, .00 44, .37 AAAA C

ATOM 1180 CG ARG A 180 102 .402 17, .937 5 .923 1, .00 44 .29 AAAA C

ATOM 1181 CD ARG A 180 101 .724 16, .658 5 .510 1, .00 45 .56 AAAA C

ATOM 1182 NE ARG A 180 102 .245 15, .495 6, .209 1, .00 47, .16 AAAA N

ATOM 1183 CZ ARG A 180 102 .133 14, .243 5 .772 1, .00 48, .68 AAAA C

ATOM 1184 NHl ARG A 180 101 .522 13, .975 .622 1, .00 42 .47 AAAA N

ATOM 1185 NH2 ARG A 180 102 .625 13 .252 6 .498 1 .00 50 .75 AAAA N

ATOM 1186 C ARG A 180 105 .304 19 .753 4 .150 1 .00 41 .38 AAAA C

ATOM 1187 O ARG A 180 106 .187 18 .905 4 .130 1 .00 39 .18 AAAA O

ATOM 1188 N ASP A 181 105 .320 20 .806 3 .345 1 .00 43 .33 AAAA N

ATOM 1189 CA ASP A 181 106 .458 21 .011 2 .458 1 .00 44 .58 AAAA C

ATOM 1190 CB ASP A 181 106 .331 20 .188 1 .181 1 .00 44 .20 AAAA C

ATOM 1191 CG ASP A 181 107 .654 20 .087 0 .434 1 .00 46 .41 AAAA C

ATOM 1192 ODl ASP A 181 108 .709 20 .238 1 .097 1 .00 47 .09 AAAA O

ATOM 1193 OD2 ASP A 181 107 .644 19 .846 -0 .795 1 .00 45 .46 AAAA O

ATOM 1194 C ASP A 181 106 .646 22 .476 2 .114 1 .00 44 .81 AAAA C

ATOM 1195 O ASP A 181 106 .832 22 .852 0 .956 1 .00 43 .55 AAAA O ATOM 1196 N ILE A 182 106.,589 23..305 3..145 1,.00 41..12 AAAA N

ATOM 1197 CA ILE A 182 106. .760 24. .725 2. .972 1. .00 36, .85 AAAA C

ATOM 1198 CB ILE A 182 106. .243 25. .474 4, .202 1, .00 36. .75 AAAA C

ATOM 1199 CG2 ILE A 182 106, .571 26, .941 4, .089 1. .00 30. .41 AAAA C

ATOM 1200 CGI ILE A 182 104. ,737 25. .266 4. .329 1. .00 31. .99 AAAA C

ATOM 1201 CD1 ILE A 182 103. ,962 25. .808 3. .159 1. .00 35. ,06 AAAA C

ATOM 1202 C ILE A 182 108, .244 25. .018 2, .768 1. .00 36. ,92 AAAA C

ATOM 1203 O ILE A 182 109. .084 24. .582 3. .555 1. .00 37. ,21 AAAA O

ATOM 1204 N LYS A 183 108. ,555 25. ,742 1. ,693 1. ,00 39. ,57 AAAA N

ATOM 1205 CA LYS A 183 109. ,926 26. .128 1. .354 1. ,00 39, .85 AAAA C

ATOM 1206 CB LYS A 183 110. .754 24. .912 0. .948 1. ,00 39, ,67 AAAA C

ATOM 1207 CG LYS A 183 110. .294 24. .262 -0. .325 1. ,00 37. ,67 AAAA C

ATOM 1208 CD LYS A 183 Ill, .147 23, .068 -0, .597 1, ,00 40. .94 AAAA C

ATOM 1209 CE LYS A 183 110, .612 22, ,264 -1, ,742 1, .00 42, .03 AAAA C

ATOM 1210 NZ LYS A 183 111, .415 21, .020 -1, .890 1, .00 46. .36 AAAA N

ATOM 1211 C LYS A 183 109, .889 27, .129 0, .202 1, .00 39, ,34 AAAA C

ATOM 1212 O LYS A 183 108, .929 27, .162 -0, .565 1, .00 42, .86 AAAA O

ATOM 1213 N PRO A 184 110. .946 27. .946 0. ,065 1, .00 39. ,55 AAAA N

ATOM 1214 CD PRO A 184 112. ,201 27. .777 0. .821 1, .00 38. ,85 AAAA C

ATOM 1215 CA PRO A 184 111. .104 28. .981 -0, .960 1, ,00 39. .28 AAAA C

ATOM 1216 CB PRO A 184 112. .590 29, ,314 -0, .892 1, .00 38. .94 AAAA C

ATOM 1217 CG PRO A 184 112, .928 29, .064 0, .531 1. .00 40. .92 AAAA C

ATOM 1218 C PRO A 184 110, .696 28, .562 -2, .354 1, .00 38. ,32 AAAA C

ATOM 1219 O PRO A 184 110. .130 29, .352 -3. .094 1. .00 41. ,22 AAAA O

ATOM 1220 N GLN A 185 110. .979 27, .321 -2, .717 1. .00 34. .66 AAAA N

ATOM 1221 CA GLN A 185 110. .655 26, .850 -4, .048 1. .00 36, .22 AAAA C

ATOM 1222 CB GLN A 185 Ill, .400 25, .547 -4, .335 1. .00 35. .17 AAAA C

ATOM 1223 CG GLN A 185 112, .906 25, .658 -4 .194 1, .00 38, .29 AAAA C

ATOM 1224 CD GLN A 185 113, .359 25, .633 -2 .744 1, .00 40, .60 AAAA C

ATOM 1225 OEl GLN A 185 112. .645 26. .090 -1, .851 1. .00 45, .29 AAAA O

ATOM 1226 NΞ2 GLN A 185 114. .557 25, .109 -2, .504 1, .00 41. .38 AAAA N

ATOM 1227 C GLN A 185 109, .162 26, .668 -4 .295 1, .00 37, ,77 AAAA C

ATOM 1228 O GLN A 185 108, .712 26 .750 -5 .434 1, .00 40, .16 AAAA O

ATOM 1229 N ASN A 186 108 .392 26 .435 -3 .237 1 .00 37, .87 AAAA N

ATOM 1230 CA ASN A 186 106 .954 26 .245 -3 .369 1 .00 37, .21 AAAA C

ATOM 1231 CB ASN A 186 106, .463 25 .208 -2 .362 1, .00 39, .42 AAAA C

ATOM 1232 CG ASN A 186 106 .993 23 .832 -2 .665 1 .00 36, .98 AAAA C

ATOM 1233 ODl ASN A 186 107 .062 23 .434 -3 .822 1 .00 37 .05 AAAA O

ATOM 1234 ND2 ASN A 186 107 .366 23 .096 -1 .634 1 .00 36 .73 AAAA N

ATOM 1235 C ASN A 186 106 .169 27 .526 -3 .192 1 .00 39, .12 AAAA C

ATOM 1236 O ASN A 186 104 .970 27 .486 -2 .928 1 .00 35 .01 AAAA O

ATOM 1237 N LEU A 187 106 .846 28 .662 -3 .334 1, .00 40, .15 AAAA N ATOM 1238 CA LEU A 187 106.,195 29,,963 -3,,201 1.,00 40.,03 AAAA C

ATOM 1239 CB LEU A 187 106. ,839 30. ,747 -2, ,063 1. ,00 38. ,15 AAAA C

ATOM 1240 CG LEU A 187 106, ,832 29, .981 -0. .732 1. ,00 39. ,88 AAAA C

ATOM 1241 GDI LEU A 187 107. ,627 30. ,753 0, ,279 1. ,00 34. ,71 AAAA c

ATOM 1242 CD2 LEU A 187 105, ,409 29. ,752 -0, .239 1. ,00 36. ,72 AAAA c

ATOM 1243 C LEU A 187 106. 303 30. 727 -4. ,518 1. 00 40. 85 AAAA c

ATOM 1244 O LEU A 187 107. ,365 31. ,235 -4. ,868 1. ,00 40. ,20 AAAA 0

ATOM 1245 N LEU A 188 105, ,189 30. ,789 -5, .242 1. ,00 40. ,50 AAAA N

ATOM 1246 CA LEU A 188 105, ,118 31. ,453 -6. .536 1. ,00 41. ,26 AAAA C

ATOM 1247 CB LEU A 188 103, ,944 30. ,901 -7, .331 1. ,00 42. .65 AAAA c

ATOM 1248 CG LEU A 188 103, ,853 29. .386 -7, .426 1. .00 43. ,73 AAAA c

ATOM 1249 CD1 LEU A 188 102, ,666 29. .023 -8, .296 1. .00 44. ,44 AAAA c

ATOM 1250 CD2 LEU A 188 105. .140 28. .822 -7, .995 1. .00 38. .85 AAAA c

ATOM 1251 C LEU A 188 104, .936 32, .948 -6, .411 1. .00 42. .34 AAAA c

ATOM 1252 O LEU A 188 104, .241 33. .411 -5, .522 1. .00 41. .06 AAAA 0

ATOM 1253 N LEU A 189 105. .525 33. .694 -7, .339 1. .00 48. .86 AAAA N

ATOM 1254 CA LEU A 189 105, ,445 35, .153 -7, .341 1. .00 51, .12 AAAA C

ATOM 1255 CB LEU A 189 106, .785 35. .738 -6, .926 1. .00 51, .05 AAAA C

ATOM 1256 CG LEU A 189 107. ,248 35. .419 -5, .528 1, .00 53, .09 AAAA c

ATOM 1257 CD1 LEU A 189 108, .748 35. .476 -5, ,478 1. .00 54, ,77 AAAA c

ATOM 1258 CD2 LEU A 189 106, .619 36. .403 -4, .572 1, .00 54, .46 AAAA c

ATOM 1259 C LEU A 189 105. .079 35. .797 -8, .676 1. .00 54. .86 AAAA c

ATOM 1260 O LEU A 189 105, .444 35. .313 -9. .748 1. .00 54. .67 AAAA 0

ATOM 1261 N ASP A 190 104, .356 36. .908 -8, .589 1. .00 62, .05 AAAA N

ATOM 1262 CA ASP A 190 104, .002 37, ,704 -9, .757 1. .00 66, .88 AAAA C

ATOM 1263 CB ASP A 190 102 .565 38, .219 -9 .672 1, .00 71 .05 AAAA C

ATOM 1264 CG ASP A 190 102 .156 39, .016 -10 .909 1, .00 74 .90 AAAA C

ATOM 1265 ODl ASP A 190 103, .019 39, .734 -11, .471 1, .00 76, .79 AAAA O

ATOM 1266 OD2 ASP A 190 100 .973 38, .938 -11 .311 1, .00 74 .18 AAAA 0

ATOM 1267 C ASP A 190 104 .984 38 .870 -9 .600 1 .00 69 .45 AAAA C

ATOM 1268 O ASP A 190 104 .853 39 .691 -8 .685 1, .00 69 .39 AAAA 0

ATOM 1269 N PRO A 191 105 .987 38 .948 -10 .484 1 .00 72 .35 AAAA N

ATOM 1270 CD PRO A 191 106 .102 38 .145 -11 .715 1 .00 72 .73 AAAA C

ATOM 1271 CA PRO A 191 107 .009 40 .000 -10 .447 1 .00 73 .65 AAAA C

ATOM 1272 CB PRO A 191 107 .952 39, .588 -11 .574 1, ,00 74 .58 AAAA C

ATOM 1273 CG PRO A 191 106 .993 39 .006 -12 .582 1 .00 74 .20 AAAA C

ATOM 1274 C PRO A 191 106 .515 41 .443 -10 .590 1 .00 72 .18 AAAA c

ATOM 1275 O PRO A 191 107 .231 42 .386 -10 .247 1 .00 74 .19 AAAA 0

ATOM 1276 N ASP A 192 105 .296 41 .621 -11 .082 1 .00 70 .81 AAAA N

ATOM 1277 CA ASP A 192 104 .762 42 .965 -11 .268 1 .00 71 .15 AAAA C

ATOM 1278 CB ASP A 192 104 .118 43 .079 -12 .650 1 .00 73 .67 AAAA C

ATOM 1279 CG ASP A 192 105 .035 42 .597 -13 .760 1 .00 76 .68 AAAA C

H H H H H I-¹ H¹ H¹ l-¹ H I-¹ 00 00 LO oo oo LO LO oo to to to CO CO DO CO to to O H H H H o o o O O O vo o VD VD VD VD 00 CO co CO 00 en in Φ- CO 00 cn in Φ- CO -J cn in 00 to O cn Φ- 00 o

X fc fc fc fc to cn cn cn cn

fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

H H M H H H H H H H H H H H VD VD VD VO VO VD O vo o VD VD VD VD VO VD vo vo

00 00 ] cn cn m LΠ in m LΠ in Φ- φ. φ. 00 00 CO 00 oo 00 DO

H I-¹ I-¹ H H H H H H¹ H H o o O VD vo VO vo O o O σ o O o o o o o o o VD vo o o o o o o o O O o O σ o O o o o o o o CO oo 00 O o O to 00 OJ H to to VD vo o l-> to CO 00 φ. φ. LO O o o H 00 00 φ. cn φ. CΛ m l-> ι-> 00 CO CΛ to 00 00 CO VD 1 o φ. H φ. LO I-¹ H 00 o φ. VO CO vo cn 00 -a -o CO o O H H o O VD 00 in VD on φ. H LΠ H LO vo !-> CO in CΛ oo φ- LΠ in LO O 0J in φ. VD o φ. H --a 0J Φ> O 00 vo φ. φ. in in CΛ 00 cn φ. in φ. in 0J 03 cn cn cn DO cn o CΛ to LΠ cn -o CO OJ Φ- co en σv in -a φ.

CO LO LO 00 00 LO LO oo 00 LO 00 00 00 00 OJ LO J LO CO 0J LO LO φ. φ. Φ- Φ- φ. Φ- φ. Φ. φ. Φ- Φ- φ. Φ- Φ- φ. co O o 0J OJ CO H¹ CO Φ- φ. J φ- φ. in in CΛ cn vo •o 03 CO o σ CO CO o I-¹ to to Φ- OJ H LO in DO LΠ VD to LΠ φ. 1 VD 0J H 0J o CO H φ. o cn 00 Φ- in vo 00 -o en CO φ. J 1

03 DO 00 00 i to 03 CO --a H 00 H LΠ vo o CΛ 03 CO LΠ en -o. -a CO Φ- o -o φ. H φ. -J LO LΠ H H CO VD φ. o H φ. -a -J Φ- cn H 00 CO CO O 00 00 φ. CO o CO Φ- 00 Φ- VD 00 vo H H o VD S-¹ VD vo O 03 l-¹ VO CO φ.

1 1 r

1 1 1 I 1 1 I 1 1 1 1 1 1 1 1 1 1 1 I 1 1 1 1 1 1 1 1 1 1 I H DO φ. J 03 cn in oo Φ. 00 o to oo cn LΠ cn in CΛ LΠ LΠ φ. LΠ LΠ en 1 O 00 vo 03 VD VD o LO o on H o 00 o 00 VD o H in O 03 00 vo o H φ. LO vo o O o CO φ. LO LΠ en o CO to LΠ 00 to to Φ- -a LO H o 03 VD CO φ. -0 LΠ O on LO cn 00 VD OJ 00 H t CΛ o L0 cn o H -0 o LO VO o en o 00 LΠ

LO a cn LΠ VD 03 φ. LΠ VD H -J VD o 03 ι in H vo in oo o -0 H en 00 in 03 00 to CO H 00 cn Φ. cn H

H H H^» f-> H I-¹ I-¹ I-¹ H I-¹ H H H H H H H H H H H H H H H H H I-¹ H H o o o o o O O O O O O o o O o o o o o o o o O o o o o o o o O o O o O O σ O o o o o O o o o O o O O O O O o o o o o o o o o o o o o o o o o o σ O O O o O o o O o o o

LO Φ- φ- Φ- Φ- Φ- φ. Φ- φ. φ. φ. Φ- φ. 00 φ. Φ> φ. Φ- φ- Φ. φ. φ. in LΠ in in in σi cn cn cn CΛ cn cn CΛ CΛ ■O -o 03 CO in O in Φ- o oo o to to H¹ in VD o CO φ. Φ- cn Φ. vo H 00 LO Φ- 00 H H co cn Lπ in 03 00 co 03

CO CO φ. to to -0 CO VD 00 LO to CO LΠ O vo CO σi VD o vo oo 1 vo 00 00 in -j en co oo φ. CO oo LΠ o in 03 LO in in LO in en OJ O cn vo in 1 1 CO vo Φ. 00 H¹ cn H -J Φ- m CO φ. CΛ -o to LΠ vo VD

Ω S d Ω ≥i Ω Ω Ω Ω Ω tZi d O O Ω Ω Ω Ω IZi O Ω Ω Ω Ω Ω ≥i d Ω Ω Ω ≥i d Ω Ω d Ω Ω Si d Ω d d

ATOM 1322 CB LEU A 198 100.826 28.,230 -0,,790 1.00 35.,32 AAAA C

ATOM 1323 CG LEU A 198 101. ,341 27. ,024 -0. ,022 1. ,00 30. ,68 AAAA C

ATOM 1324 CD1 LEU A 198 102. ,854 27. ,092 0. ,114 1. ,00 31, ,37 AAAA C

ATOM 1325 CD2 LEU A 198 100. 665 27. ,006 1, .335 1. ,00 36. ,53 AAAA C

ATOM 1326 C LEU A 198 101. 167 27. ,528 -3. ,188 1. ,00 38, ,51 AAAA C

ATOM 1327 O LEU A 198 100. ,107 27. ,569 -3. ,816 1. ,00 38, ,23 AAAA O

ATOM 1328 N CYS A 199 102. ,082 26. ,595 -3. ,413 1. ,00 36. ,82 AAAA N

ATOM 1329 CA CYS A 199 101. ,830 25. ,570 -4. ,408 1. ,00 40, ,43 AAAA C

ATOM 1330 CB CYS A 199 102. 390 25. ,993 -5. ,767 1. ,00 41, ,65 AAAA C

ATOM 1331 SG CYS A 199 104. ,143 25. ,654 -5. ,965 1. ,00 52. .32 AAAA S

ATOM 1332 C CYS A 199 102. ,409 24. ,217 -4. ,019 1. ,00 41. .40 AAAA C

ATOM 1333 O CYS A 199 102. ,958 24. .050 -2, .928 1. ,00 42. .68 AAAA O

ATOM 1334 N ASP A 200 102. ,277 23. .263 -4, .940 1, ,00 41. .31 AAAA N

ATOM 1335 CA ASP A 200 102. .748 21, .891 -4, .763 1. .00 43, .78 AAAA C

ATOM 1336 CB ASP A 200 104, .275 21. .823 -4, .764 1. ,00 47, ,16 AAAA C

ATOM 1337 CG ASP A 200 104, .789 20. .393 -4, .694 1, ,00 53, .48 AAAA C

ATOM 1338 ODl ASP A 200 106. .012 20, .212 -4, .509 1, .00 57, .58 AAAA O

ATOM 1339 OD2 ASP A 200 103. .969 19. .450 -4, .826 1, ,00 58, .02 AAAA O

ATOM 1340 C ASP A 200 102. .223 21. .259 -3, .483 1, ,00 40, .44 AAAA C

ATOM 1341 O ASP A 200 102. .940 21. .147 -2, .490 1, ,00 35, .24 AAAA O

ATOM 1342 N PHE A 201 100, .964 20, .847 -3, .513 1, .00 40, .57 AAAA N

ATOM 1343 CA PHE A 201 100, .364 20, .229 -2, .350 1. .00 41, .48 AAAA C

ATOM 1344 CB PHE A 201 98, .877 20, ,571 -2, .277 1. .00 40, .78 AAAA C

ATOM 1345 CG PHE A 201 98, .604 21, .977 -1, .812 1. .00 40, .89 AAAA C

ATOM 1346 CD1 PHE A 201 99, .008 23, .067 -2 .573 1. .00 41 .25 AAAA C

ATOM 1347 CD2 PHE A 201 97, .965 22, .208 -0, .599 1. .00 34 .17 AAAA C

ATOM 1348 CEl PHE A 201 98, .783 24, .371 -2, .137 1, .00 40 .27 AAAA C

ATOM 1349 CE2 PHE A 201 97, .736 23, .503 -0, .151 1. .00 40, .97 AAAA C

ATOM 1350 CZ PHE A 201 98 .147 24, .591 -0 .923 1, .00 38 .39 AAAA C

ATOM 1351 C PHE A 201 100, .570 18, .726 -2 .370 1, .00 41 .51 AAAA C

ATOM 1352 O PHE A 201 99, .813 17, .977 -1 .751 1, .00 45 .64 AAAA O

ATOM 1353 N GLY A 202 101 .610 18 .294 -3 .076 1, .00 41 .43 AAAA N

ATOM 1354 CA GLY A 202 101 .920 16 .879 -3 .160 1, .00 44 .67 AAAA C

ATOM 1355 C GLY A 202 102 .128 16 .195 -1 .812 1, .00 44 .81 AAAA C

ATOM 1356 O GLY A 202 101 .839 15 .006 -1 .677 1, .00 46 .98 AAAA O

ATOM 1357 N SER A 203 102 .629 16 .924 -0 .815 1 .00 42 .91 AAAA N

ATOM 1358 CA SER A 203 102 .861 16 .354 0 .518 1 .00 42 .15 AAAA C

ATOM 1359 CB SER A 203 104 .202 16 .844 1 .102 1 .00 44 .51 AAAA C

ATOM 1360 OG SER A 203 105 .313 16 .540 0 .263 1 .00 45 .84 AAAA O

ATOM 1361 C SER A 203 101 .738 16 .730 1 .481 1 .00 40 .40 AAAA C

ATOM 1362 O SER A 203 101 .655 16 .203 2 .583 1 .00 42 .43 AAAA O

ATOM 1363 N ALA A 204 100 .878 17 .645 1 .059 1 .00 38 .27 AAAA N fc fc fc fc c fc fc cf c fc f fc fc fc fc fc c fc c f fc

H t-3 HI ι-3 ι-3 c

H f t-3 HI Hi , c f fc 3 f HI ι-3 t-3 t-3 fc f

H Hi ι-3 fc Hi fc f t-3 H, c fc f I HI H, c ι-3 >t-,3 ι-3 H, f c fc fc fc fc f f f

HI HI ι- H t-3 H H HI H H ^ c

H ι-3 t-3 t-3 tc-3 t-3 tc-3 d d d d d d d d d d d d d d d d d P Q o d d d d d d d d d d d d d d d d d d o d d d

3 3 2 2 2 2 2 3 2 2 2 3 3 3 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 2 2 2 t-> H" M H¹ H H¹ H I-¹ I-¹ H H ι-» H H H H H f-¹ l-¹ H¹ l-¹ l-¹ t-> w l-¹ H¹ I-¹ l-¹ l-¹ M H H φ. φ. φ. Φ- φ. Φ- LO CO OJ OJ OJ J OJ LO oo 00 LO 0J OO OJ CO 0J LO 00 oo oo 00 LO 00 LO LO oo LO 0J 00 LO OJ OJ 00 LO 0J 0J o o o O O O VD VD vo VD VD VD VD VD vo VD CO 00 CO 03 CO 03 03 00 oo CO -0 v] vl v] va v va l v cn CΛ CΛ CΛ CΛ en

LΠ Φ- LO CO O VO CO en in Φ- OJ CO o VO 00 ι cn in φ. oo CO M O VD CO va CΛ m Φ- 10 CO H O vo CO v cn in Φ-

Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω 9 SS d Ω S3 o Ω Ω Ω Ω 3 d Ω S3 Ω Ω Ω Ω Ω S3 o Ω α Ω c to pfc.

Ω 03 fc Ω Ω 03

CO fc α O Ω to to CO O H DO I-¹ α 61 ω fc ba to O Ω 03 f t δo t δo t δo t δ δto fcrs

Ω Ω Ω Ω Ω tr* ^•tsr* tr* g st-*

fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

CO CO CO CO to CO CO CO CO CO CO to CO CO CO O CO O to to to to CO to DO DO to to DO DO DO DO DO CO CO O CO CO CO CO CO CO o o o o o o o o o o o o o o o o o o o o o o o o O O O O O O O O O o o o o o o o o

VD VD vo vo VD 03 CO co 03 03 03 03 -J -J -o •~a -O vl vl cn cn CΛ CΛ CΛ cn CΛ en CΛ LΠ in in LΠ in in LΠ in in φ- φ. φ- φ.

VO o VD vo VO VD vo vo vo vo VO VD VD vo VD VD VD 03 vo vo VD vo VO vo vo vo vo vo vo vo vo vo 00 Φ- ω 0J oo φ- oo φ- 00 CO v] en φ. VO o o to en 00 00 03 00 co oo Φ- en i in to to H oo v CO 0J Π CO vo 00 cn va vl Φ- oo O oo oo CO 03 00 vo φ. in o to CO . in in co en 00 o φ. o oo in o CO 00 03 o Lπ in m CO LΠ φ. o VD cn

00 in en DO φ- o in to vn vo CO o cn in CO Φ- 00 03 in VD LO in cn o VD en 00 o

H H H H H H H H H H¹ l-> H l-> H H H v] CΛ φ. to LO LO CO 00 φ. Φ- in v] CΛ σi cn Φ. in 03 03 v] CΛ en cn cn H CO m cn va LΠ cn VD co vo o cn CΛ Φ- LΠ o H LΠ -J CΛ vj VD o cn o φ. 03 CD co cn o o o H VD H o

03 φ. 00 H in CΛ vo in en LΠ φ. 00 LΠ CO CO vl o in O LΠ H v] o o o t-¹ CO vo 00 en 00 CO VD vo 0J o in vo H o Φ- LΠ LO in 03 va LO o vl cn

H H H H vj CΛ cn LΠ 0J CO O H O o D o VO o VD 00 v vl cn Φ- in cn in LΠ LΠ LΠ LΠ va v CΛ in Φ- Φ- LO H CO H

VD v] cn 0J CO CO I-¹ in Φ- o σ. Φ- in en m OJ cn cn CO φ. LΠ vo o v] σ 03 o H en o CΛ co H

Lπ LΠ in v] v] CD o m vo VD CO in φ. 00 oo O in H CO o φ. vo H en in DO Φ- vo vo in LO in O φ. va Φ- 00 00 vo OJ o 00 v] to en CO φ- to H H¹ 00 Φ- VD

M H¹ H H H l-¹ l-^J l-¹ H> !-^» H¹ H¹ H H H H H H H H H H I-¹ H l-¹ H H H H f-¹ H H H H H¹ H¹ H H> o o o o o O o o o o O O o o o o o o o O o o o o o o o o o o O o o o O o o O O o o o o o O O O o o o o o o σ o O o o o O o o o σ o o o o o o o o o O o o O o o

LΠ in φ. Φ. Φ- φ. φ. φ. Φ- φ. LΠ Φ- φ- Φ- φ. Φ- φ. φ- in in en en in φ. φ. LO 00 φ. φ. Φ- φ- φ. CO LO cn va to H DO to o in v] H VD to Lπ v] co 00 H vo vo 00 VD en OJ in o en in o o H CO en to vo Φ> 00 to vo o vo cn 00 H m 00 vo vo φ. o VD oo en en 03 o LO LΠ v in o Φ- Φ- LO en o φ- v] v] v co VD en 1 cn oo oo LΠ o DO o cn H¹ oo LΠ σi 00

Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω SS d Ω Ω Ω Ω Ω Ω -3 d Ω S3 d Ω Ω Ω Ω -3 d Ω S3 Ω Ω Ω Ω Ω S3 d Ω Ω Ω

fc fc fc fc fc fc fc fc fc fc fc fc c fc fc fc fc f fc fc f fc fc fc fc fc fc f fc t-3 t-3 t-3 t-3 Hi Hi t-3 ι-3 t-3 t-3 H i-3 H, f i Hi H t-3 t-3 t-3 P Hi. ^ fc fc c

Hi HI H H t-3 t-,3 Hi >t-3, fc c t-3 H* H t-3 ^ HI ^ HI HI H H H > H, H, c ι-3 H,i ι-3

O O d d d d d d d d d d d d O d d d d d d d d d d d d d d d d d d O O O O d

2 2 2 3 3 3 3 3 3 3 3 3 S d d d

3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2

H H H H H H H H H H H H H H H l-> t-¹ V-¹ H I-¹ I-¹ H¹ H H¹ H H H H H H H H H H H H I-¹ H φ. φ. φ. φ. Φ- Φ- φ. φ. Φ- φ. φ. φ. φ- φ. Φ- φ. φ. Φ. Φ- Φ- Φ. Φ- φ. φ. Φ- φ. φ. φ. Φ. φ. Φ- φ. Φ- φ. φ. φ. φ. φ. φ. φ. Φ- φ. φ. φ. φ. φ. Φ- Φ- φ. Φ- LO OJ LO CO OJ oo LO OJ OJ OJ CO CO O to CO O CO CO CO O H> H> I-¹ H H H I-¹ O O o O v] cn Lπ φ. 00 O M O vo co va cn in Φ» 00 CO H O VD 03 a CΛ in φ. LO CO H o VD CO va CΛ m φ. 00 to H¹ O VO 00 va CΛ

-3 O Ω Ω Ω Ω Ω S3 d Ω g d Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω d d Ω Ω Ω Ω S3 d Ω Ω -3 O Ω g g Ω «

Ω Ω to fc o α Ω to fc Ω to fc

CO H to H o t t O

CO 61 to fc fc ffi

CO ffi N CO

H

CO DO CO CO O CO O O CO CO O O O to CO to CO CO to CO CO CO CO CO CO CO CO CO CO CO CO to CO CO CO CO DO t O CO O to

H H H H H H H H H H I-¹ H H H H H H H > H H H H H M H t-> H H o O o o o in Φ- φ. φ. φ. φ- φ. φ. 00 LO LO LO LO LO LO 0J CO CO to to to O to H H H H H H M M O O o o VO VD vo vo VD VD

H H H H l-¹ H H t O o O O O O o o o O O vo VD o o o vo vo O VD vo VO VO vo vo VO vo VD vo vo vo vo O o VD VD VD VD vo vo VD vo cn in in CΛ φ. Φ- φ. LO oo CO VD 03 V0 H o vo VD CD VD vo v] v] v] v] I-¹ CO CO LO φ. LΠ m Lπ in φ. Φ- CO 00 o o to H t in cn L0 m LO CΛ VD σi to in 00 --a 03 CO 00 CO H 00 VD VD Φ. CΛ VD ω o H LΠ CO LO cn cn CO o en 00 v] 00 v] 00 CO in

LO o v CO CΛ LΠ 03 VD H CO LO φ. CO 03 Lπ φ- v] o H VD o CΛ v] to φ. H VD 00 vj vo DO co VD v Φ- cn CO oo LΠ H 03 VD v] o σ. L0 00 en 00 H in CO OO VD LΠ CO Φ- CO v o H va 03 00 v] 00 vj Φ- CO I-¹ cn o to Φ- in 00 in LΠ in VO vo VD CΛ σ

H H H H H I-¹ t-¹ H

O CO o VD O VO VD o o o OJ CO DO CO o o vo vo en va 03 vj 00 o VO CO o VO oo vo vo O 03 o o l-^J CO O vo VO CO va

LΠ vo CO VO cn 03 I-¹ LO φ. CO in -J CO vj DO o φ- CΛ LΠ VD LO v] CO v] CD o CO va in DO O LO Π φ. 00 o in I-¹ o CΛ va to I-¹ to 00 v] v] LO oo CO OJ H LΠ o CO CO Φ- in DO φ. LΠ LO φ. 03 o VD 00 VD vo O vo v] m φ. v3 v VD oo φ. vo CΛ cn O CO t-¹ CO vj co v] v3 CO LO O 03 cn cn o φ. cn LO o

03 DO vl o o v] 03 00 VD cn φ. 03 φ. φ. vl 00 v] o o cn LO o

H H I-¹ H H H H H H H H¹ H H I-¹ vo vo vo CΛ CΛ -o oo 03 o H vo o o o I-¹ o I-¹ DO 10 CO 0J 0J CO l-¹ o l-> CO CO 00 Φ. LΠ in cn cn LΠ LΠ v] VD CD va

03 o 00 CO o in 03 o O v] oo LΠ o 00 Φ- φ. CΛ H CD to O vj o en LΠ φ. 0J H¹ 0J φ. VD v3 00 Φ- cn vo LO H Φ. cn 10 v CO to LΠ v3 O LO in o LO 00 O cn o o v] DO O O cn VO φ. VD in 03 03 03 in VO Φ- CO VD cn φ- φ. φ. en VD vo OJ VD v] 00 00 φ. 00 CO VO CΛ H CO H 0J o cn vo DO Φ- v va to H Φ- vo H Φ- φ. CD 03 CO o CO v. o VD LΠ on H

H H H H H H H H H H H t-¹ H (-> t-¹ t-» I-¹ H H H M H H H H H H > I-¹ H H H H H H

O o O o O o o O o O O O o σ O o o o O O O o o o o o O O o O o O o o o o o o o o o O o o O o O σ o o O O o o o o O o o o o O O o o o o O O O o O o O o O o o o o o o o o

Φ- φ. 0J LO 0J OJ OJ 10 LO LO LO CO LO OJ J φ. φ. φ. φ. Φ- Φ- φ. in in in cn 0^1 en cn in in LΠ LΠ LΠ in φ. φ. φ- LΠ cn LΠ o o VO 03 0J 00 vo va 03 00 CO VO CO v3 00 oo φ. CΛ 00 vl 00 vl o Φ. H in VO LΠ CO in Φ- OJ LO to l-¹ VD VD VO vo to CO co

CO CΛ vl VD VD in CΛ LΠ CO O o 00 VD in in CO LΠ 00 OJ in o 00 o to va en φ- Φ- o vo o H¹ H CO LΠ 03 to VD cn φ. v] CO φ. LO LO CO o C 00 00 to to LΠ v] Lπ CO Φ- ~a 03 LJ VD v] Lπ Φ- cπ 00 L0 Φ> to cn H¹ in vl in CO o in LO v] m cn

-3 d Ω Ω Ω Ω Ω S3 d Ω S3 d Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω d d Ω Ω Ω Ω S3 d O Ω S3 d Ω S3 _3 Ω S3

ATOM 1448 CA SER A 215 107..505 11..515 10,.483 1.,00 44.,23 AAAA C

ATOM 1449 CB SER A 215 108, .102 10, .978 11, .790 1. ,00 43, .21 AAAA C

ATOM 1450 OG SER A 215 109, .272 10, .225 11, .554 1. ,00 51, .78 AAAA O

ATOM 1451 C SER A 215 108, .615 12, .020 9. .556 1. ,00 44. ,11 AAAA C

ATOM 1452 O SER A 215 109, .100 13. .137 9, .729 1, ,00 46. ,06 AAAA O

ATOM 1453 N PTR A 216 109. .031 11. .220 8, .578 1, ,00 45. ,01 AAAA N

ATOM 1454 CA PTR A 216 110, .064 11. .687 7, .656 1, ,00 44, .73 AAAA C

ATOM 1455 CB PTR A 216 110. .923 10, .537 7, ,141 1. ,00 44. .64 AAAA C

ATOM 1456 CG PTR A 216 112, .200 10, .995 6, ,460 1. ,00 46. .56 AAAA C

ATOM 1457 GDI PTR A 216 113. .264 11. .505 7. .210 1. ,00 45. .25 AAAA C

ATOM 1458 CEl PTR A 216 114. .473 11. .878 6, .599 1. ,00 44. ,47 AAAA C

ATOM 1459 CD2 PTR A 216 112, .364 10, .879 5. .068 1. ,00 43. ,53 AAAA C

ATOM 1460 CE2 PTR A 216 113. .567 11. .252 4. .442 1, ,00 45. .80 AAAA C

ATOM 1461 CZ PTR A 216 114. .626 11, ,743 5, .215 1. .00 48. .30 AAAA C

ATOM 1462 OH PTR A 216 115, .888 11, .999 4, .619 1. ,00 52, .96 AAAA 0

ATOM 1463 P PTR A 216 116, .317 13, .443 4, .246 1. ,00 49. .21 AAAA P

ATOM 1464 OIP PTR A 216 116, .568 14, .180 5, .519 1, ,00 46, .58 AAAA 0

ATOM 1465 02P PTR A 216 117, .640 13, .333 3, .577 1, .00 52, .38 AAAA 0

ATOM 1466 03P PTR A 216 115, .301 14, .105 3. .367 1, ,00 43. .97 AAAA 0

ATOM 1467 C PTR A 216 109. .347 12, .340 6, .486 1. ,00 45. .38 AAAA c

ATOM 1468 O PTR A 216 109, .192 11, .745 5, .419 1, ,00 44. .00 AAAA 0

ATOM 1469 N ILE A 217 108, .901 13, .568 6, .711 1, .00 45, .20 AAAA N

ATOM 1470 CA ILE A 217 108, .172 14, .343 5, .715 1, .00 42. .88 AAAA C

ATOM 1471 CB ILE A 217 106, .642 14, .388 6, .081 1, ,00 41, .22 AAAA C

ATOM 1472 CG2 ILE A 217 106, .427 15, .236 7, .319 1, .00 39, .79 AAAA c

ATOM 1473 CGI ILE A 217 105, .810 14, .942 4, .924 1, .00 42, .63 AAAA c

ATOM 1474 CD1 ILE A 217 105 .521 13, .945 3 .841 1, .00 40, .17 AAAA c

ATOM 1475 C ILE A 217 108 .772 15, .757 5 .737 1, .00 43, .68 AAAA c

ATOM 1476 O ILE A 217 109 .436 16 .137 6 .707 1, .00 40 .57 AAAA 0

ATOM 1477 N CYS A 218 108 .574 16 .519 4 .664 1, .00 42 .51 AAAA N

ATOM 1478 CA CYS A 218 109 .080 17 .890 4 .605 1, .00 43 .93 AAAA c

ATOM 1479 CB CYS A 218 108 .820 18 .557 5 .961 1, .00 43 .86 AAAA c

ATOM 1480 SG CYS A 218 108 .879 20 .316 5 .940 1, .00 56 .01 AAAA s

ATOM 1481 C CYS A 218 110 .575 17 .980 4 .235 1, .00 41 .32 AAAA c

ATOM 1482 O CYS A 218 111 .388 17 .195 4 .720 1, .00 42 .40 AAAA 0

ATOM 1483 N SER A 219 110 .930 18 .939 3 .382 1, .00 38 .93 AAAA N

ATOM 1484 CA SER A 219 112 .318 19 .121 2 .946 1, .00 36 .90 AAAA C

ATOM 1485 CB SER A 219 112 .391 20 .282 1 .974 1, .00 37 .79 AAAA c

ATOM 1486 OG SER A 219 111 .395 20 .135 0 .978 1, .00 42 .14 AAAA 0

ATOM 1487 C SER A 219 113 .268 19 .355 4 .118 1, .00 38 .44 AAAA c

ATOM 1488 O SER A 219 113 .079 20 .274 4 .925 1, .00 38 .04 AAAA 0

ATOM 1489 N ARG A 220 114 .310 18 .531 4 .182 1, .00 34 .49 AAAA N ATOM 1490 CA ARG A 220 115,.257 18,.571 5,.278 1..00 33.51 AAAA C

ATOM 1491 CB ARG A 220 116, .608 18, .008 4 .856 1, .00 31 .36 AAAA C

ATOM 1492 CG ARG A 220 117, .479 17, .736 6 .083 1, .00 36 .50 AAAA C

ATOM 1493 CD ARG A 220 118, .902 17, .388 5, .735 1, .00 36 .52 AAAA C

ATOM 1494 NE ARG A 220 118, .956 16, .200 4, .900 1, .00 37, .84 AAAA N

ATOM 1495 CZ ARG A 220 119, .785 16, .066 3 .879 1, .00 37 .06 AAAA C

ATOM 1496 NHl ARG A 220 120, .626 17, .051 3 .577 1, .00 38 .47 AAAA N

ATOM 1497 NH2 ARG A 220 119. .764 14, .961 3, .155 1. .00 39, .20 AAAA N

ATOM 1498 C ARG A 220 115, .473 19, .912 5. .959 1. .00 35, .52 AAAA C

ATOM 1499 O ARG A 220 115, .157 20, .062 7, .137 1, .00 34 .80 AAAA O

ATOM 1500 N TYR A 221 116 .009 20 .882 5 .222 1, .00 37 .57 AAAA N

ATOM 1501 CA TYR A 221 116, ,304 22. .210 5. .774 1. .00 36, .86 AAAA C

ATOM 1502 CB TYR A 221 116. .813 23, .161 4, ,679 1. .00 37 .10 AAAA C

ATOM 1503 CG TYR A 221 118, .150 22, ,799 4, .054 1. .00 38 .20 AAAA C

ATOM 1504 GDI TYR A 221 118, .716 23, .610 3 .069 1, .00 34 .71 AAAA C

ATOM 1505 CEl TYR A 221 119. ,938 23, ,290 2. .488 1, ,00 36. .98 AAAA C

ATOM 1506 CD2 TYR A 221 118. .850 21. .650 4. .442 1. .00 38, .70 AAAA C

ATOM 1507 CE2 TYR A 221 120, .074 21, .318 3, .863 1, ,00 36 .21 AAAA C

ATOM 1508 CZ TYR A 221 120, .611 22, .145 2, .887 1. .00 38 .89 AAAA C

ATOM 1509 OH TYR A 221 121. ,823 21. ,831 2. .311 1. ,00 38. .55 AAAA O

ATOM 1510 C TYR A 221 115. ,129 22. .875 6. .476 1. .00 35, .69 AAAA C

ATOM 1511 O TYR A 221 115. .340 23, .697 7, .366 1. .00 33 .58 AAAA O

ATOM 1512 N TYR A 222 113, .904 22, ,510 6, .091 1. .00 33 .45 AAAA N

ATOM 1513 CA TYR A 222 112, .705 23, .109 6. .676 1. .00 33. .25 AAAA C

ATOM 1514 CB TYR A 222 111. ,771 23. .553 5. .552 1. ,00 33, ,30 AAAA C

ATOM 1515 CG TYR A 222 112. .499 24. .379 4, .537 1. .00 33, .11 AAAA C

ATOM 1516 GDI TYR A 222 113. .263 23, ,770 3, .545 1. .00 36, .07 AAAA C

ATOM 1517 CEl TYR A 222 114. .074 24, .520 2, .703 1. .00 35, .11 AAAA C

ATOM 1518 CD2 TYR A 222 112. ,550 25, .767 4, .652 1. ,00 34. .43 AAAA C

ATOM 1519 CE2 TYR A 222 113. ,359 26. .530 3. .815 1. .00 34, .22 AAAA C

ATOM 1520 CZ TYR A 222 114. .124 25. .899 2. .847 1. ,00 39, .95 AAAA C

ATOM 1521 OH TYR A 222 114. .977 26. .637 2. .059 1. ,00 39, .98 AAAA O

ATOM 1522 C TYR A 222 Ill, .931 22, .236 7, .659 1. ,00 34 .43 AAAA C

ATOM 1523 O TYR A 222 110, .900 22. .659 8, .199 1. ,00 36, .25 AAAA O

ATOM 1524 N ARG A 223 112, .442 21, .036 7, .908 1. ,00 34, .62 AAAA N

ATOM 1525 CA ARG A 223 111. .794 20. .070 8, .790 1. ,00 35, .11 AAAA C

ATOM 1526 CB ARG A 223 112, .447 18, .713 8, .583 1. ,00 36. .02 AAAA C

ATOM 1527 CG ARG A 223 111, .713 17, .553 9, .198 1. ,00 40. .32 AAAA C

ATOM 1528 CD ARG A 223 112. .405 16. .274 8. .774 1. ,00 36, .28 AAAA C

ATOM 1529 NE ARG A 223 112, .496 16. .209 7. .316 1. ,00 37, .37 AAAA N

ATOM 1530 CZ ARG A 223 113 .510 15, .660 6, .646 1. ,00 36, .00 AAAA C

ATOM 1531 NHl ARG A 223 114, .535 15, .123 7, .300 1. ,00 29, .23 AAAA N ATOM 1532 NH2 ARG A 223 113.,504 15.,652 5..318 1.,00 27..80 AAAA N

ATOM 1533 C ARG A 223 111. .824 20, ,434 10, ,264 1. ,00 33. .13 AAAA C

ATOM 1534 O ARG A 223 112. .879 20. ,684 10. .826 1. .00 36. .06 AAAA O

ATOM 1535 N ALA A 224 110. .657 20. ,439 10. ,891 1. ,00 33. ,41 AAAA N

ATOM 1536 CA ALA A 224 110. ,549 20. ,779 12, ,301 1, ,00 32. ,43 AAAA C

ATOM 1537 CB ALA A 224 109. .091 20. ,858 12. ,699 1. ,00 30. ,94 AAAA C

ATOM 1538 C ALA A 224 111. .264 19. .772 13. ,183 1. ,00 34, ,83 AAAA C

ATOM 1539 O ALA A 224 111. .418 18. .612 12. .820 1. .00 33, .17 AAAA O

ATOM 1540 N PRO A 225 111. .712 20. ,212 14. .367 1. ,00 37, .26 AAAA N

ATOM 1541 CD PRO A 225 111. ,624 21, .596 14, .871 1. ,00 35. ,71 AAAA C

ATOM 1542 CA PRO A 225 112. .417 19. .353 15. .327 1, .00 36. ,78 AAAA C

ATOM 1543 CB PRO A 225 112, ,600 20. .267 16, ,543 1. ,00 35. ,55 AAAA C

ATOM 1544 CG PRO A 225 112, .675 21, .620 15, .954 1. .00 38, .68 AAAA C

ATOM 1545 C PRO A 225 111, .630 18. .083 15. .690 1. .00 37, .48 AAAA C

ATOM 1546 O PRO A 225 112, .196 16, .990 15, .747 1. .00 39, .23 AAAA O

ATOM 1547 N GLU A 226 110, .332 18. .226 15, ,944 1. .00 33, .66 AAAA N

ATOM 1548 CA GLU A 226 109, .524 17, .070 16, .317 1, .00 37, .28 AAAA C

ATOM 1549 CB GLU A 226 108, .072 17. .469 16, .619 1, .00 37, .24 AAAA C

ATOM 1550 CG GLU A 226 107, .339 18, .127 15, .473 1, .00 37, .95 AAAA C

ATOM 1551 CD GLU A 226 107, .476 19, ,630 15. .500 1. .00 41, .40 AAAA C

ATOM 1552 OEl GLU A 226 108, .612 20, .126 15, .674 1, .00 42, .29 AAAA O

ATOM 1553 OE2 GLU A 226 106, .446 20, .315 15, .343 1, .00 37, .21 AAAA O

ATOM 1554 C GLU A 226 109, .524 15, .976 15, .260 1, ,00 37. .80 AAAA C

ATOM 1555 O GLU A 226 109, .416 14, .795 15, .585 1, .00 39, .45 AAAA O

ATOM 1556 N LEU A 227 109, .628 16. .367 13. .996 1, .00 37. .03 AAAA N

ATOM 1557 CA LEU A 227 109, .644 15, .392 12, .921 1, .00 34, .94 AAAA C

ATOM 1558 CB LEU A 227 109, .562 16, .081 11. .569 1. .00 36, .74 AAAA C

ATOM 1559 CG LEU A 227 108, .255 16, .787 11, .239 1, .00 37, .77 AAAA C

ATOM 1560 GDI LEU A 227 108, .374 17, .367 9. .846 1, .00 35. .95 AAAA C

ATOM 1561 CD2 LEU A 227 107, .090 15, .819 11, .320 1, .00 27, .87 AAAA C

ATOM 1562 C LEU A 227 110 .936 14 .614 13 .000 1, .00 38, .30 AAAA C

ATOM 1563 O LEU A 227 110 .953 13, .409 12, .776 1, .00 36, .42 AAAA O

ATOM 1564 N ILE A 228 112 .025 15 .313 13 .307 1, .00 35 .73 AAAA N

ATOM 1565 CA ILE A 228 113 .326 14, .664 13, .431 1, .00 36, .94 AAAA C

ATOM 1566 CB ILE A 228 114 .448 15 .703 13 .631 1, .00 37 .03 AAAA C

ATOM 1567 CG2 ILE A 228 115 .787 14 .995 13 .860 1 .00 32 .81 AAAA C

ATOM 1568 CGI ILE A 228 114 .512 16 .627 12 .409 1, .00 30 .71 AAAA C

ATOM 1569 GDI ILE A 228 115 .439 17 .810 12 .583 1 .00 25 .10 AAAA C

ATOM 1570 C ILE A 228 113 .316 13 .686 14 .615 1, .00 39 .65 AAAA C

ATOM 1571 O ILE A 228 113 .878 12 .593 14 .526 1, .00 40, .33 AAAA O

ATOM 1572 N PHE A 229 112 .671 14 .075 15 .717 1, .00 38, .75 AAAA N

ATOM 1573 CA PHE A 229 112 .580 13 .215 16 .897 1 .00 37 .68 AAAA C ATOM 1574 CB PHE A 229 112..184 14,,020 18.,124 1..00 39.,10 AAAA C

ATOM 1575 CG PHE A 229 113. .325 14. ,708 18. ,787 1. 00 38. ,06 AAAA C

ATOM 1576 CD1 PHE A 229 113, ,834 15, ,889 18. ,274 1. 00 39. ,81 AAAA C

ATOM 1577 CD2 PHE A 229 113, ,886 14, .179 19, .947 1. ,00 37, .05 AAAA C

ATOM 1578 CEl PHE A 229 114. .891 16, .535 18. .909 1. .00 42, .35 AAAA C

ATOM 1579 CE2 PHE A 229 114, .937 14. ,812 20. .590 1. ,00 40. .55 AAAA C

ATOM 1580 CZ PHE A 229 115, .442 15, .993 20, .073 1. .00 42, .43 AAAA C

ATOM 1581 C PHE A 229 111, .578 12, .072 16, .731 1. .00 40, .04 AAAA c

ATOM 1582 O PHE A 229 111. ,200 11. ,427 17. .711 1. ,00 42. ,91 AAAA 0

ATOM 1583 N GLY A 230 Ill, .129 11, .843 15, .501 1, .00 38. .66 AAAA N

ATOM 1584 CA GLY A 230 110, .206 10, .753 15, .240 1. .00 38, .46 AAAA C

ATOM 1585 C GLY A 230 108. .730 10. ,936 15. .534 1. ,00 39. ,32 AAAA C

ATOM 1586 O GLY A 230 107. ,988 9. ,967 15. ,492 1. 00 36. ,89 AAAA O

ATOM 1587 N ALA A 231 108. .288 12. ,154 15. .823 1. .00 35. .73 AAAA N

ATOM 1588 CA ALA A 231 106. .875 12. .377 16, .099 1. ,00 36. ,80 AAAA C

ATOM 1589 CB ALA A 231 106. .623 13, .844 16. .405 1. ,00 36, ,99 AAAA c

ATOM 1590 C ALA A 231 106. .010 11, ,943 14, .920 1, .00 38. .28 AAAA c

ATOM 1591 O ALA A 231 106, .403 12. .086 13, .765 1. ,00 38. .01 AAAA 0

ATOM 1592 N THR A 232 104, .834 11, .407 15, .233 1. .00 36. .61 AAAA N

ATOM 1593 CA THR A 232 103, .872 10. .954 14, .233 1. ,00 39. .34 AAAA C

ATOM 1594 CB THR A 232 103, .739 9. .413 14, .231 1. ,00 41. ,00 AAAA c

ATOM 1595 OG1 THR A 232 103, .638 8, .938 15, .579 1. .00 45. .27 AAAA 0

ATOM 1596 CG2 THR A 232 104, .934 8. .770 13, .568 1, .00 34. .20 AAAA c

ATOM 1597 C THR A 232 102, .517 11, .578 14, .577 1. .00 42. .14 AAAA c

ATOM 1598 O THR A 232 101, .566 11, .513 13, .795 1, .00 43. .28 AAAA 0

ATOM 1599 N ASP A 233 102, .462 12 .194 15 .757 1. .00 43, .03 AAAA N

ATOM 1600 CA ASP A 233 101, .266 12, .869 16, .270 1. .00 45. ,16 AAAA C

ATOM 1601 CB ASP A 233 101, .059 12, .522 17 .746 1. .00 48. .50 AAAA C

ATOM 1602 CG ASP A 233 102 .179 13 .078 18 .649 1, .00 53 .44 AAAA c

ATOM 1603 ODl ASP A 233 103, .370 12, .939 18, .279 1, .00 55. .33 AAAA 0

ATOM 1604 OD2 ASP A 233 101, .872 13 .641 19, .732 1, .00 58. .57 AAAA O

ATOM 1605 C ASP A 233 101 .423 14 .389 16 .160 1. .00 45. ,37 AAAA c

ATOM 1606 O ASP A 233 100 .858 15 .135 16 .966 1 .00 46 .43 AAAA 0

ATOM 1607 N TYR A 234 102 .184 14 .844 15 .169 1. .00 41. .79 AAAA N

ATOM 1608 CA TYR A 234 102 .420 16 .271 14 .990 1. .00 39, .01 AAAA C

ATOM 1609 CB TYR A 234 103 .654 16 .496 14 .102 1, .00 37 .94 AAAA C

ATOM 1610 CG TYR A 234 103 .612 15 .824 12 .744 1, .00 36 .29 AAAA C

ATOM 1611 GDI TYR A 234 102 .969 16 .423 11 .659 1. .00 34, .98 AAAA c

ATOM 1612 CEl TYR A 234 102 .935 15 .801 10 .413 1, .00 35 .99 AAAA c

ATOM 1613 CD2 TYR A 234 104 .216 14 .585 12 .545 1 .00 36 .62 AAAA c

ATOM 1614 CE2 TYR A 234 104 .183 13 .959 11 .303 1, .00 35 .82 AAAA c

ATOM 1615 CZ TYR A 234 103 .547 14 .571 10 .250 1, ,00 35 .92 AAAA c ATOM 1616 OH TYR A 234 103.539 13.954 9.032 1.00 37.56 AAAA O

ATOM 1617 C TYR A 234 101. 223 17. 020 14. 428 1. 00 39. 75 AAAA C

ATOM 1618 O TYR A 234 100. 274 16. 416 13. 942 1. 00 37. 27 AAAA O

ATOM 1619 N THR A 235 101. ,272 18. ,345 14. 514 1. 00 38. 04 AAAA N

ATOM 1620 CA THR A 235 100. ,193 19. ,183 14. ,018 1. ,00 37, ,99 AAAA C

ATOM 1621 CB THR A 235 99. ,647 20. ,117 15. ,102 1. 00 39. ,21 AAAA C

ATOM 1622 OG1 THR A 235 100. ,654 21. ,074 15. ,464 1. 00 39. ,73 AAAA O

ATOM 1623 CG2 THR A 235 99. ,239 19. ,317 16. ,325 1. 00 30. ,55 AAAA C

ATOM 1624 C THR A 235 100. ,679 20. ,052 12. ,883 1. ,00 39. ,61 AAAA C

ATOM 1625 O THR A 235 101. ,868 20. .062 12, .543 1. ,00 40. .46 AAAA O

ATOM 1626 N SER A 236 99. ,749 20. ,798 12. ,310 1. 00 37. ,43 AAAA N

ATOM 1627 CA SER A 236 100. ,070 21. .674 11. ,207 1. 00 39. ,33 AAAA C

ATOM 1628 CB SER A 236 98. ,784 22. ,259 10. ,636 1. 00 39. ,86 AAAA C

ATOM 1629 OG SER A 236 97. .963 22. ,699 11, .692 1. ,00 45. ,03 AAAA O

ATOM 1630 C SER A 236 101. .024 22. ,788 11. ,624 1. ,00 38. .72 AAAA C

ATOM 1631 O SER A 236 101. .368 23, .647 10. ,806 1. ,00 37. .82 AAAA O

ATOM 1632 N SER A 237 101. .462 22, .782 12. ,883 1. ,00 37. .86 AAAA N

ATOM 1633 CA SER A 237 102. .386 23, .818 13. ,321 1. ,00 36. .84 AAAA C

ATOM 1634 CB SER A 237 102. .401 23. ,964 14. ,843 1. ,00 37, .99 AAAA C

ATOM 1635 OG SER A 237 103, ,073 22, .892 15, .469 1. ,00 47, .21 AAAA O

ATOM 1636 C SER A 237 103, .791 23 .525 12, .801 1. .00 39, .91 AAAA C

ATOM 1637 O SER A 237 104, .719 24. .296 13. .057 1. ,00 43. .13 AAAA O

ATOM 1638 N ILE A 238 103. .959 22, .412 12. .081 1. ,00 37. .88 AAAA N

ATOM 1639 CA ILE A 238 105. .258 22. .099 11. .491 1. ,00 36. .39 AAAA C

ATOM 1640 CB ILE A 238 105, .373 20, .638 11, ,019 1. ,00 36, ,48 AAAA C

ATOM 1641 CG2 ILE A 238 105 .169 19 .708 12, .189 1. .00 38, .83 AAAA C

ATOM 1642 CGI ILE A 238 104 .376 20 .365 9, .889 1. ,00 35, .97 AAAA C

ATOM 1643 CD1 ILE A 238 104 .634 19 .066 9, .161 1, .00 36, .38 AAAA C

ATOM 1644 C ILE A 238 105 .399 23 .007 10, .263 1, . 00 37, . 06 AAAA C

ATOM 1645 O ILE A 238 106 .496 23 .188 9 .738 1, .00 36 .64 AAAA O

ATOM 1646 N ASP A 239 104 .277 23 .563 9 .803 1 .00 34 .40 AAAA N

ATOM 1647 CA ASP A 239 104 .283 24 .480 8 .663 1, .00 34 .29 AAAA C

ATOM 1648 CB ASP A 239 102 .875 24 .618 8 .063 1, .00 34 .62 AAAA C

ATOM 1649 CG ASP A 239 102 .553 23 .532 7 .026 1, . 00 33 .52 AAAA C

ATOM 1650 ODl ASP A 239 103 .436 22 .717 6 .674 1 .00 31 .21 AAAA O

ATOM 1651 OD2 ASP A 239 101 .400 23 .502 6 .549 1 .00 35 .47 AAAA O

ATOM 1652 C ASP A 239 104 .795 25 .853 9 .125 1 .00 35 .96 AAAA C

ATOM 1653 O ASP A 239 105 .453 26 .569 8 .371 1 .00 36 .69 AAAA O

ATOM 1654 N VAL A 240 104 .501 26 .214 10 .371 1 .00 34 .45 AAAA N

ATOM 1655 CA VAL A 240 104 .953 27 .489 10 .916 1 .00 31 .57 AAAA C

ATOM 1656 CB VAL A 240 104 .198 27 .847 12 .225 1 .00 32 .07 AAAA C

ATOM 1657 CGI VAL A 240 104 .743 29 .127 12 .802 1 .00 28 .33 AAAA C fc fc fc fc fc fc . fc fc fc fc fc fc fc ^ >, fc fc fc . >, fc fc fc fc fc fc fc fc fc fc fc fc fc fc

H fc c

H> H H H H H t-3 t-3 H HI HI HI ι-3 fc f

H! H t-3 H HI Hi HI Hi ι-3 t-3 t-3 t-3 Hi H H ι-3 ι-3 H H t-3 Hi H Hi Hi Hi Hi HI H d d d d d d d d d d d d d d d d d d O d d d d d O O d d d d d d d d d O O d d d

2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 3 2 o d

2 2 3 3 2 2 3 3 2 2 2 2 2 3 3 3 3 3 2 3 2 §

H H H H I-¹ (-> I-¹ l-¹ H I-¹ F" H H H H H H I-¹ H H H H t-> l-> t-> H H H

CΛ cn CΛ cn CΛ cn en en cn cn cn en CΛ cn CΛ CΛ CΛ cn CΛ cn cn CΛ cn CΛ cn en CΛ en CΛ cn cn CΛ cn cn CΛ CΛ CΛ CΛ CΛ CΛ cn cn

VD VO VD vo VD o vo o VD vo CO 00 CO 00 00 00 00 CO oo 00 a v] v 1 -j v] vj v] vl i CΛ cn cn cn CΛ cn CΛ cn CΛ cn Lπ in

VO 00 v] CΛ LΠ Φ- OJ to H o vo 00 vl en in φ. CO O H o vo 00 vl CΛ in φ. 00 to H o vo 00 v] cn LΠ Φ. LO DO > o VD 03

Ω Ω Ω £3 d Ω cn Ω Ω S3 d Ω

Ω 03 P S3 d Ω Ω fc Ω 03 fc fc to 9 -3 d Ω d Ω Ω S3 O O Ω Ω Ω S3 Ω Ω Ω Ω Ω Ω Ω S3 d Ω Ω

Ω 03 fc ffi t i N t

CO 00 to α CO to

H 00 CO σ Ω 03

CO fc Ω

CO

<: <! <3 s fc tr* &

fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc to O DO CO CO O CO to to CO CO CO CO CO CO CO CO O O to to CO CO to CO CO CO CO to to DO DO CO CO DO DO DO to CO DO DO φ. φ- Φ> φ. φ. φ. Φ- φ. φ- φ- φ- φ. φ. φ- φ. Φ> φ. φ- φ- rf~ φ. φ- φ- φ. φ. φ. φ. φ- φ- φ. φ. φ. φ- φ- φ. Φ> Φ- φ. φ. φ, φ. cn cn CΛ in LΠ LΠ in in in φ- φ- φ- φ. 0J 0J 0J J J to to to to to O M H H H H H H H H H I-¹ I-¹ o o σ

I-¹ H H H H H H H¹ H H H H H H H H I-¹ H H H l-¹ H H H H H H to H H H H H H H H o o o o o O o O O o o o H o H H H H H H M o o o o O σ

H o o H φ. LO OJ to to H O H o VD vo CO CΛ vl vl VD VO 00 03 VD CO o vo LO CO 00 CO o to H o 00 03 cn v] CΛ DO

H in in VD H O 0J o VD CΛ φ. LΠ -¹ I-¹ φ. CO Φ- 03 vo VO O Φ. CO o m o o in 00 cn CO CO t-¹ CO to v3 OJ vo Φ- cn vo -o VD LO H O 00 oo O va o CO va Φ- vo vo Φ- CO 0J en CΛ φ. o φ. in va 00 Λ φ. vo φ- CΛ O !-^■ LΠ o in CO CΛ VD

H v3 CO Φ- O v CΛ CO in LΠ v] o vl in H vo t-¹ O co vo CO VO O O en in o 03 Φ- to vi en CO in Φ- CΛ o φ- in to LO cn

LO 0J 00 to 00 DO DO DO DO DO 00 LO OJ LO 00 DO CO CO CO CO O CO O to to DO DO to CO O to to to to DO CO CO CO CO CO CO o O VD O VD CΛ v] CO VD o o o H o VD VD CO vj a LO Φ- in in v3 CΛ φ, LΠ Φ- OJ Φ. φ. Φ- φ. Φ- Φ» en en co -o 03 m CΛ CΛ VO CO v3 φ. φ. VD 00 LO in va o H DO VD φ. o v3 LO CΛ VD co v3 I-¹ oo va o co VD o VD LO in φ. v H CO LO φ. vj o φ. VD l O in 00 v3 va CO cn o Φ- in oo v] Φ- φ- va CO 00 VD φ. v] Φ- CO VD in φ- vo to Φ- in VD O CO CO

CΛ 00 00 H vo H CO o LO CO to φ. cn v] VD o H to 00 LO VD 0J in 00 CO 03 0J v vj v VD 00 oo H to

H¹ l-> H¹ H H H

00 φ- Lπ CΛ CΛ σ. VD v3 00 03 vo vo o VO j co v] vl va va v3 va 03 VD o o φ- LΠ LO φ. CO co CO CO O H o O o CO LΠ vo 00 VO CO VD in m I-¹ Φ. in DO 00 in VD o cn m H H φ. φ. in v3 LO φ. φ. h-¹ en l 00 to OJ CO cn VD H VO vo vo o Φ- vj Φ- cn Φ- 00 CO Φ- CO VD 00 CO o VD 10 φ- LO en CΛ 03 Φ- VD o to -a vo LΠ in va to H 00 vo v cn O CΛ φ.

00 VD v] vo cn O CO CO en v] in CO 03 φ. 03 CO Φ. in Φ- o LO va CO o φ. o VD DO LΠ OJ CΛ o VD 0J in I-¹ va VD φ. o

H H H H H H H H H H H I-¹ l-¹ H¹ H H H H H H H H H H H I-¹ H H H I-¹ H¹ t-¹ I-¹ I-¹ H H¹ H o o O O O O O O o o o o o o o o o O o O O o o O o o o O o o O o o o o o o o o O O o o o o O O σ o O o o o o o o o o σ O O O O O O o o o o o o o o o O o o o σ o o O O o

CO LO 00 to OJ 00 LO DO 00 00 oo CO CO co t OJ O CO LO 0J φ. 00 0J OJ L0 OJ DO CO CO O H DO CO CO to O LO LO 0J CO 00 00 O H v. to VD H to VD 00 o vo σ 00 vo LO CO LO φ- CO I-¹ to Φ- φ. o VD φ. H Φ. 00 03 CO v] LΠ 03 oo φ. 00 vl vj 0J 00 CΛ o o Φ- OJ LΠ φ. LO o vj O v] O v] to 03 O CO oo v3 00 I-¹ cn CO v3 φ> v] o v in v] cn 03 vl 00 O m CO 03 vl LO OJ o CO cn C LΠ CΛ O vo φ. CΛ CO 0J in Φ- va DO CO ^■vl cn in en 03 OJ CO o in O φ. CΛ

Ω Ω Ω S3 d Ω C^Q Ω Ω -3 d Ω Ω -3 d Ω Ω Ω -3 d Ω d Ω Ω S3 d Ω Ω Ω Ω S3 Ω O Ω O Ω Ω Ω S3 d Ω Ω

ATOM 1700 CG2 VAL A 246 110..287 29..224 3..849 1..00 30..24 AAAA C

ATOM 1701 C VAL A 246 112. ,248 32. .138 5. .357 1. .00 31. .84 AAAA C

ATOM 1702 O VAL A 246 113, .048 32, .780 4. .686 1, ,00 30, .90 AAAA O

ATOM 1703 N LEU A 247 111. .615 32. .641 6. ,413 1. .00 32. .28 AAAA N

ATOM 1704 CA LEU A 247 Ill, .847 34. ,011 6. ,852 1. .00 36, .03 AAAA C

ATOM 1705 CB LEU A 247 111. .046 34, .324 8. .131 1. ,00 35. .24 AAAA C

ATOM 1706 CG LEU A 247 110. .706 35, ,779 8. .536 1, .00 37. .25 AAAA c

ATOM 1707 CD1 LEU A 247 110, .734 35. .875 10. ,043 1, ,00 34, .60 AAAA c

ATOM 1708 CD2 LEU A 247 111, ,677 36, ,791 7. ,950 1. ,00 34, ,25 AAAA c

ATOM 1709 C LEU A 247 113, .343 34, ,153 7. ,147 1. ,00 38. .76 AAAA c

ATOM 1710 O LEU A 247 114. .038 34. .960 6. ,525 1. .00 39. .24 AAAA O

ATOM 1711 N ALA A 248 113. .833 33. .362 8. ,096 1. .00 35, .87 AAAA N

ATOM 1712 CA ALA A 248 115, .234 33. .416 8. .465 1. .00 36, .87 AAAA C

ATOM 1713 CB ALA A 248 115. .566 32. .257 9. .389 1. ,00 38, .99 AAAA C

ATOM 1714 C ALA A 248 116. ,132 33. .383 7. .228 1. , 00 37. .97 AAAA C

ATOM 1715 O ALA A 248 117. .144 34. .074 7. .173 1. .00 37, .79 AAAA O

ATOM 1716 N GLU A 249 115. .755 32. .587 6. .234 1. , 00 36. .92 AAAA N

ATOM 1717 CA GLU A 249 116, .541 32, .470 5, .011 1. .00 36, .49 AAAA C

ATOM 1718 CB GLU A 249 115. .970 31. ,364 4. .117 1. ,00 35. .57 AAAA C

ATOM 1719 CG GLU A 249 116, .862 31, .016 2. .939 1. .00 43, .13 AAAA c

ATOM 1720 CD GLU A 249 116, .404 29. .768 2. .209 1. .00 51, .45 AAAA c

ATOM 1721 OEl GLU A 249 115, .726 28, .928 2. .839 1, .00 55, .16 AAAA 0

ATOM 1722 OE2 GLU A 249 116, .731 29, .615 1. .010 1. .00 54, .01 AAAA 0

ATOM 1723 C GLU A 249 116, .593 33, .784 4. ,225 1. .00 38, .14 AAAA c

ATOM 1724 O GLU A 249 117, .626 34. ,126 3. ,643 1. ,00 37. .00 AAAA 0

ATOM 1725 N LEU A 250 115, .477 34, .511 4, .197 1, .00 36, .11 AAAA N

ATOM 1726 CA LEU A 250 115, .409 35, .776 3, .482 1, .00 34, .48 AAAA C

ATOM 1727 CB LEU A 250 113, .968 36 .254 3, .402 1, .00 30, .11 AAAA C

ATOM 1728 CG LEU A 250 113, .080 35 .308 2, .593 1, .00 30, .66 AAAA c

ATOM 1729 CD1 LEU A 250 111, .629 35, .808 2, .587 1. .00 25, .18 AAAA c

ATOM 1730 CD2 LEU A 250 113, .638 35, .198 1, .164 1. .00 23, .16 AAAA c

ATOM 1731 C LEU A 250 116 .263 36 .823 4, .167 1, .00 34 .05 AAAA c

ATOM 1732 O LEU A 250 116. .871 37 .661 3, .510 1, .00 37 .38 AAAA 0

ATOM 1733 N LEU A 251 116 .324 36 .761 5 .491 1 .00 32 .76 AAAA N

ATOM 1734 CA LEU A 251 117, .109 37 .713 6, .264 1, .00 30, .79 AAAA C

ATOM 1735 CB LEU A 251 116 .696 37 .668 7 .741 1, .00 30 .53 AAAA c

ATOM 1736 CG LEU A 251 115 .220 37 .903 8 .094 1, .00 34 .34 AAAA c

ATOM 1737 CD1 LEU A 251 114 .970 37 .587 9 .566 1 .00 28 .27 AAAA c

ATOM 1738 CD2 LEU A 251 114 .846 39 .329 7 .792 1 .00 23 .80 AAAA c

ATOM 1739 C LEU A 251 118 .603 37 .447 6 .160 1, .00 34 .07 AAAA c

ATOM 1740 O LEU A 251 119 .395 38 .380 6 .056 1 .00 38 .81 AAAA 0

ATOM 1741 N LEU A 252 118 .980 36 .168 6 .193 1 .00 37 .93 AAAA N ATOM 1742 CA LEU A 252 120..383 35,.752 6..146 1.,00 36,.48 AAAA C

ATOM 1743 CB LEU A 252 120, .559 34, .367 6, .752 1. .00 39 .83 AAAA C

ATOM 1744 CG LEU A 252 120. .228 34, .107 8. .214 1. .00 43, .22 AAAA C

ATOM 1745 CD1 LEU A 252 120. ,462 32. ,635 8. .469 1. ,00 40. .96 AAAA C

ATOM 1746 CD2 LEU A 252 121. ,092 34. .959 9. ,132 1. ,00 39. .85 AAAA C

ATOM 1747 C LEU A 252 120. ,987 35. .709 4, .768 1, .00 34, .94 AAAA C

ATOM 1748 O LEU A 252 122. .160 36. .019 4. .603 1. .00 36, .94 AAAA O

ATOM 1749 N GLY A 253 120. ,198 35. .293 3. .790 1, ,00 35, .02 AAAA N

ATOM 1750 CA GLY A 253 120, ,700 35. ,198 2. ,437 1. ,00 37. .42 AAAA C

ATOM 1751 C GLY A 253 120. ,903 33. .751 2, .015 1. .00 43, .34 AAAA C

ATOM 1752 O GLY A 253 121. .256 33. .461 0, ,864 1. ,00 46, .34 AAAA O

ATOM 1753 N GLN A 254 120, .670 32, .831 2, .943 1. ,00 44, .26 AAAA N

ATOM 1754 CA GLN A 254 120. .832 31. .414 2, .657 1, ,00 45. .24 AAAA C

ATOM 1755 CB GLN A 254 122. ,303 31. ,058 2. ,735 1. ,00 46. .41 AAAA C

ATOM 1756 CG GLN A 254 122. .826 31, .303 4, .120 1. ,00 51, .72 AAAA C

ATOM 1757 CD GLN A 254 124. .309 31, .118 4, ,231 1. ,00 55, ,10 AAAA C

ATOM 1758 OEl GLN A 254 125, .084 31, .954 3, .772 1. ,00 58, .53 AAAA O

ATOM 1759 NE2 GLN A 254 124, .722 30, ,014 4, .842 1. ,00 59. .61 AAAA N

ATOM 1760 C GLN A 254 120. .075 30, ,658 3, ,734 1. ,00 43. .67 AAAA C

ATOM 1761 O GLN A 254 119. ,824 31. .202 4. .807 1, ,00 42, .81 AAAA O

ATOM 1762 N PRO A 255 119. .699 29. .395 3, .470 1. .00 41. .72 AAAA N

ATOM 1763 CD PRO A 255 119. .920 28. .566 2, .278 1, ,00 39. .93 AAAA C

ATOM 1764 CA PRO A 255 118. .971 28. .646 4. .503 1. ,00 41. .49 AAAA C

ATOM 1765 CB PRO A 255 118, .879 27. .233 3. .913 1. ,00 41, .68 AAAA C

ATOM 1766 CG PRO A 255 119, .960 27, .197 2, .875 1. ,00 40, .38 AAAA C

ATOM 1767 C PRO A 255 119 .670 28 .694 5, .872 1, .00 40, .19 AAAA C

ATOM 1768 O PRO A 255 120, .899 28, .636 5, ,964 1. .00 43, . 96 AAAA O

ATOM 1769 N ILE A 256 118. .878 28, .810 6. .933 1. ,00 35, .63 AAAA N

ATOM 1770 CA ILE A 256 119, .409 28, .899 8. .289 1. ,00 33. .27 AAAA C

ATOM 1771 CB ILE A 256 118, .340 29, .530 9. .237 1, .00 33, .95 AAAA C

ATOM 1772 CG2 ILE A 256 116 .995 28 .830 9 .057 1, .00 34 .11 AAAA C

ATOM 1773 CGI ILE A 256 118. .824 29 .484 10, .692 1, .00 33, .38 AAAA C

ATOM 1774 CD1 ILE A 256 118, .057 30, .408 11, ,634 1. ,00 28, .36 AAAA C

ATOM 1775 C ILE A 256 119, .929 27 .581 8, .881 1. ,00 33, .09 AAAA C

ATOM 1776 O ILE A 256 120, .912 27 .571 9, .630 1, .00 32 .64 AAAA O

ATOM 1777 N PHE A 257 119 .273 26 .475 8, .536 1, .00 32 .35 AAAA N

ATOM 1778 CA PHE A 257 119, .657 25, .153 9. .027 1. .00 33, .75 AAAA C

ATOM 1779 CB PHE A 257 118, .525 24, .558 9. ,863 1. .00 31, .56 AAAA C

ATOM 1780 CG PHE A 257 118 .052 25 .440 10, .989 1. .00 29, .40 AAAA C

ATOM 1781 CD1 PHE A 257 116 .688 25 .702 11 .154 1, .00 27 .49 AAAA C

ATOM 1782 CD2 PHE A 257 118 .947 25 .942 11 .934 1 .00 29 .09 AAAA C

ATOM 1783 CEl PHE A 257 116, .221 26, .437 12, .240 1, .00 24 .62 AAAA C ATOM 1784 CE2 PHE A 257 118.,484 26..690 13..040 1.,00 27.,08 AAAA C

ATOM 1785 CZ PHE A 257 117. ,120 26. ,930 13, .187 1. ,00 23, .73 AAAA C

ATOM 1786 c PHE A 257 119. ,943 24. ,210 7, .857 1. ,00 34. .32 AAAA C

ATOM 1787 0 PHE A 257 119. ,096 23. ,399 7, ,492 1. ,00 36, ,43 AAAA O

ATOM 1788 N PRO A 258 121. ,138 24. ,305 7. ,251 1, ,00 35. ,41 AAAA N

ATOM 1789 CD PRO A 258 122. ,171 25, .331 7. .487 1. ,00 30, ,96 AAAA C

ATOM 1790 CA PRO A 258 121. ,517 23. ,449 6. ,117 1. ,00 37. ,16 AAAA C

ATOM 1791 CB PRO A 258 122. ,551 24. ,299 5. ,398 1. ,00 34, ,12 AAAA C

ATOM 1792 CG PRO A 258 123. ,292 24. ,897 6. ,545 1. ,00 31, .86 AAAA C

ATOM 1793 C PRO A 258 122. ,091 22. .083 6, .531 1. ,00 37. .84 AAAA C

ATOM 1794 O PRO A 258 123. ,238 21. .759 6. .198 1. ,00 38, .82 AAAA O

ATOM 1795 N GLY A 259 121. ,299 21. .295 7, .256 1, ,00 39. .37 AAAA N

ATOM 1796 CA GLY A 259 121. ,757 19. .989 7, ,693 1. ,00 39. .87 AAAA C

ATOM 1797 C GLY A 259 122. ,068 19, .074 6, .526 1. ,00 40. .63 AAAA C

ATOM 1798 O GLY A 259 121, ,455 19, .177 5, .460 1. ,00 41. .64 AAAA O

ATOM 1799 N ASP A 260 123, ,022 18, .171 6, .720 1, .00 43, .16 AAAA N

ATOM 1800 CA ASP A 260 123. .404 17, .244 5, .658 1. .00 49, .26 AAAA C

ATOM 1801 CB ASP A 260 124. .901 16, .926 5. ,722 1. ,00 47. .44 AAAA C

ATOM 1802 CG ASP A 260 125. ,766 18, .169 5, .722 1. ,00 49, .46 AAAA C

ATOM 1803 ODl ASP A 260 125. .414 19, .163 5. .045 1. ,00 50. .26 AAAA O

ATOM 1804 OD2 ASP A 260 126. .817 18, .142 6, .396 1. .00 49, .12 AAAA O

ATOM 1805 C ASP A 260 122. .618 15, .935 5, .721 1. .00 50, .31 AAAA C

ATOM 1806 O ASP A 260 122. .622 15, .143 4, .769 1. .00 52, .70 AAAA O

ATOM 1807 N SER A 261 121. .949 15, .711 6, .844 1, .00 49, .20 AAAA N

ATOM 1808 CA SER A 261 121. .169 14, .502 7, .033 1. . 00 49. .88 AAAA C

ATOM 1809 CB SER A 261 122, .074 13. .352 7, .468 1. .00 49, .68 AAAA C

ATOM 1810 OG SER A 261 122. ,765 13, .671 8, .667 1. .00 49, .97 AAAA O

ATOM 1811 C SER A 261 120, .165 14 .797 8 .119 1, .00 50 .10 AAAA C

ATOM 1812 O SER A 261 120, .036 15 .938 8 .547 1, .00 54 .24 AAAA O

ATOM 1813 N GLY A 262 119. ,457 13, .772 8, .568 1, .00 49, ,55 AAAA N

ATOM 1814 CA GLY A 262 118, .481 13 .979 9 .615 1, .00 49 .52 AAAA C

ATOM 1815 C GLY A 262 119, .153 14 .330 10, .930 1, .00 49, .62 AAAA C

ATOM 1816 O GLY A 262 118, .662 15 .171 11, .682 1. . 00 52, .32 AAAA O

ATOM 1817 N VAL A 263 120 .283 13 .693 11 .216 1, .00 46 .91 AAAA N

ATOM 1818 CA VAL A 263 120 .983 13 .963 12 .464 1 .00 43 .75 AAAA C

ATOM 1819 CB VAL A 263 122 .044 12 .883 12 .776 1, .00 42 .20 AAAA C

ATOM 1820 CGI VAL A 263 122 .878 13 .317 13 .973 1, .00 42 .60 AAAA C

ATOM 1821 CG2 VAL A 263 121 .365 11 .550 13 .073 1, .00 45 .59 AAAA C

ATOM 1822 C VAL A 263 121 .668 15 .317 12 .424 1, .00 42 .10 AAAA C

ATOM 1823 O VAL A 263 121 .695 16 .031 13 .425 1, .00 38 .20 AAAA O

ATOM 1824 N ASP A 264 122 .225 15 .667 11 .268 1 .00 41 .36 AAAA N

ATOM 1825 CA ASP A 264 122 .909 16 .945 11 .128 1, .00 41 .23 AAAA C fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc f fc fc fc f fc fc c

H H H t-3 H t-3 H t-3 H H t-3 ι-3 H H, c c c fc fc fc t-3 H I HI Hi H t-3 δ c

H H HI H HδI δ H> δ fc fc t-3 H H δ f ι-3 Hi δ fc

HI HI δ f t-3 ι-3 t-3 H H δ f t-3 H H HI

O O d d d d d d d d d d d 2 d Ω d d d d d d Ω d Ω d O d d d d d d d d O d d d d O d

2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 3 3 3 3 3 3 3

H H H H> H> H¹ H> I-¹ H> H" H> H I-¹ H f-> H H H H .-> H> I-¹ I-¹ I-¹ H H I-¹ H> H» H H" H" H I-¹

00 00 oo 03 00 00 OO 00 03 00 03 co 03 00 03 CD co CD 00 CO 00 CO CO 00 CO 00 CO 00 00 co oo 03 00 co 00 00 00 03 00 oo 00 03

CΛ en CΛ CΛ cn en cn cn LΠ in in in in LΠ in in Π in φ. φ- φ. Φ- Φ- φ. Φ- φ. φ- φ- OJ oo oo 00 OJ LO 00 00 oo 00 CO to O to v] CΛ in Φ- 00 to H o vo 03 ! CΛ LΠ φ. DO H- σ VO 00 va CΛ in φ. LO DO I-¹ o VO oo vl CΛ in φ- J CO H o vo 00 vj en

Ω Ω S3 d Ω d d Ω Ω Ω Ω S3 d O Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω Ω -3 d Ω S3 d Ω Ω Ω Ω S3 d Ω d O Ω Ω

03 fc CO CO σ Ω 03 fc Ω Ω to fc D O Ω 03 fc t to D Ω to to H H fc X Ω 03

H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω < <! <! ir* tr* r? < <! <! tr* tr* Ir* X tr* t* tr* ir* Ω Ω Ω Ω Ω Ω Ω Ω fc fc fc fc fc fc tr* t* tr* tr* ir* tr* tr* t* t* tr* fc fc c CO to t CO CO CO CO CO X t 2 s δ f? f r* tr* tr* Ir* Ir* X tr* X CQ en CQ cn cn cn t to to G G G G G G G G G tr* tr* tr* G G G G G G G G S3 S3 S3 a S3 S3 S3 S3 -3 13 13 13 13 13 13 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc to to to CO CO CO to to to O CO CO O CO O O O CO O t to to to DO to CO CO to CO DO DO CO to to CO CO O CO O CO CO to cn CΛ CΛ CΛ cn cn en CΛ cn cn cn cn cn CΛ en cn CΛ OΛ cn cn CΛ CΛ en cn cn en cn cn cn CΛ CΛ CΛ cn cn CΛ cn cn CΛ CΛ σ. CΛ vo VO VO 03 00 03 CO

03 CO CO CO vj v] vl vj vl v a en cn en CΛ CΛ cn en cn LΠ LΠ LΠ in m LΠ LΠ LΠ in Φ. Φ- φ. φ. Φ. φ.

H> I-¹ H H H I-¹ H H H H H H" H to H> to CO CO to to t to DO DO CO to H H H H H H to to to v] σ φ. O

H¹ H LΠ t-¹ to 00 DO in o o CO -J 03 o vo VO vl VO o on Φ-

LΠ 00 CO cn oo v] to H --a to O o v] cn φ- CΛ LO in v3 CΛ VD 00 CΛ in O o LO H VD vj 00 en to 00 o CO 00 o LO

00 o oo 00 H H H VD CΛ m cn 00 en LO vo vj in cn CO vo m 03 o VD CO oo o H o O o CΛ CO 00 φ. co CO CO CO to DO H to H H H to CO H> H" H> H H¹ H H

LO 00 to O I-¹ I-¹ vj VD CO o CO o vo cn CO vl va 03 O o o 00 CO v] 00 03 00 00 en φ. LΠ LO 00 en cn o o in j LΠ vo LO w 00 en 00 in H φ. CO 00 OO to H- LO 03 cn LΠ DO CΛ cn φ. LO 00 cn LΠ vo vo cn cn en vo CΛ LΠ LΠ Φ- O o o LΠ 0J O O VD -J v] vj Φ- vo H LΠ 00 vo H o o cn 00 cn 00 CO LΠ OJ cn CO o in t in CO φ. t H

I-¹ H> H I-¹ H H H H H ι-> H t-¹ H H- H" H H m in φ. 0J o o o O on Φ- LΠ φ- m LΠ v3 CΛ in φ. to to vo 03 o o o o o O 03 VO VD o CO en Lπ CΛ en VD CΛ H 00 σ. in to to o 00 LΠ H- v3 -J v φ- LO Φ- O o o vj o vl o H CO o vl H VD to cn Φ- H va LΠ CO CΛ

VD 00 00 H en cn VD vo Φ- cn O in en o LO in H- v] to H in v] CO v]

H H I-¹ l-¹ V-¹ I-¹ l-> H H M H H H H H H H H H H H H H I-¹ (-^■ H H H H H H H H> l-¹ H H H¹ H¹ H¹ o o o O O o o o O O o o o o o o o o o o o O o o o o O o o o o o o o o o O o O o o o o o O o o o O O o o o o o o o o o o o O o o o o O o o o O o o σ o O o o oo φ- φ. LO oo oo 00 00 00 00 00 Φ- oo 00 oo oo 00 oo LO φ. 00 oo oo Φ- o in en 00 CO Φ- v! 03 v3 v] VD o vo 0J <Λ φ. vj VD to CΛ CO LΠ cn cn CΛ σ φ> vo cn H¹ VD in 03 m Φ- 00 O cn cn cn 00 03 o 0J 03 vo to o o oo vo VO VD o Φ- φ- cn VD va LΠ 03 CΛ o en DO o en to vo v en co o

Ω Ω -3 d Ω d d Ω Ω Ω Ω -3 0 Ω Ω Ω Ω Ω S3 0 Ω Ω Ω Ω Ω Ω -3 d Ω -3 d Ω Ω Ω Ω S3 0 Ω O O Ω Ω

ATOM 1868 CG2 ILE A 269 116.,892 23.,156 16.,181 1.,00 25.,41 AAAA C

ATOM 1869 CGI ILE A 269 117. ,173 22. .434 13. ,807 1. ,00 29. .74 AAAA C

ATOM 1870 CD1 ILE A 269 115, .966 21, .512 13, .780 1, .00 31 .19 AAAA C

ATOM 1871 C ILE A 269 119. ,740 23. ,736 16. 406 1. ,00 38. .61 AAAA C

ATOM 1872 O ILE A 269 119, .663 24, .857 16. .907 1, .00 41, .60 AAAA O

ATOM 1873 N ILE A 270 120. .372 22, .730 17. ,003 1, .00 38, .15 AAAA N

ATOM 1874 CA ILE A 270 120. ,981 22. ,919 18. ,308 1, ,00 38. .22 AAAA C

ATOM 1875 CB ILE A 270 121, .737 21, .670 18. ,779 1, .00 38, .31 AAAA C

ATOM 1876 CG2 ILE A 270 122, .473 21, .969 20. .079 1, ,00 35, .21 AAAA C

ATOM 1877 CGI ILE A 270 120. ,751 20. ,520 18. 999 1. ,00 40. .52 AAAA C

ATOM 1878 CD1 ILE A 270 121, ,390 19. .261 19. .552 1. .00 39, .83 AAAA C

ATOM 1879 C ILE A 270 121, .954 24, .085 18, ,305 1, .00 41, .51 AAAA C

ATOM 1880 O ILE A 270 122, ,030 24, ,822 19. ,285 1. ,00 41, .99 AAAA O

ATOM 1881 N LYS A 271 122, ,693 24, .265 17. .213 1. ,00 41. .08 AAAA N

ATOM 1882 CA LYS A 271 123, .664 25, .368 17. ,136 1. .00 44, .69 AAAA C

ATOM 1883 CB LYS A 271 124. ,369 25. ,372 15. ,770 1. ,00 46. ,32 AAAA C

ATOM 1884 CG LYS A 271 125. .257 24, .162 15. ,566 1, .00 55, .39 AAAA C

ATOM 1885 CD LYS A 271 125, .826 24, .057 14. .159 1, .00 59. .37 AAAA C

ATOM 1886 CE LYS A 271 126. .904 25. .084 13, .894 1, .00 63. .79 AAAA C

ATOM 1887 NZ LYS A 271 127. .501 24. .877 12, ,536 1. .00 68. .68 AAAA N

ATOM 1888 C LYS A 271 123, .052 26, .751 17. .409 1, .00 44, .89 AAAA C

ATOM 1889 O LYS A 271 123. .752 27. .686 17, .812 1. .00 45. .18 AAAA O

ATOM 1890 N VAL A 272 121. .747 26, .877 17, .193 1, ,00 41, .74 AAAA N

ATOM 1891 CA VAL A 272 121, .071 28, .139 17, .427 1, .00 35, .51 AAAA C

ATOM 1892 CB VAL A 272 120, .162 28, .512 16. .255 1. .00 35. .05 AAAA C

ATOM 1893 CGI VAL A 272 119. .453 29, .808 16. .560 1, .00 29, .74 AAAA C

ATOM 1894 CG2 VAL A 272 120, ,976 28, .626 14, .969 1, .00 31 .47 AAAA C

ATOM 1895 C VAL A 272 120. ,224 28, .071 18, .686 1, .00 36, .51 AAAA C

ATOM 1896 O VAL A 272 120, .426 28, .853 19. ,614 1. .00 32, .34 AAAA O

ATOM 1897 N LEU A 273 119, .284 27, .126 18, .723 1, .00 37 .37 AAAA N

ATOM 1898 CA LEU A 273 118, .386 26, .987 19, .874 1, .00 35, .35 AAAA C

ATOM 1899 CB LEU A 273 117, .086 26 .249 19, .505 1, .00 32 .19 AAAA C

ATOM 1900 CG LEU A 273 116 .269 26 .461 18 .232 1 .00 35 .24 AAAA C

ATOM 1901 CD1 LEU A 273 114, .877 25 .904 18. .494 1 .00 30 . 66 AAAA C

ATOM 1902 CD2 LEU A 273 116 .172 27 .915 17, .857 1, .00 35 .07 AAAA C

ATOM 1903 C LEU A 273 118 .995 26 .233 21 .040 1 .00 37 .07 AAAA C

ATOM 1904 O LEU A 273 118, .380 26, .159 22, .107 1, .00 41 .91 AAAA O

ATOM 1905 N GLY A 274 120 .182 25 .670 20 .853 1 .00 34 .85 AAAA N

ATOM 1906 CA GLY A 274 120 .773 24 .889 21 .925 1 .00 35 .70 AAAA C

ATOM 1907 C GLY A 274 119, .960 23, .601 22, .007 1, .00 36 .89 AAAA C

ATOM 1908 O GLY A 274 119 .188 23 .301 21 .090 1 .00 34 .53 AAAA O

ATOM 1909 N THR A 275 120 .111 22 .840 23 .088 1 .00 36 .44 AAAA N ATOM 1910 CA THR A 275 119.366 21.,594 23.238 1.00 34.30 AAAA C

ATOM 1911 CB THR A 275 120. ,117 20. ,599 24. ,128 1. ,00 35. ,39 AAAA C

ATOM 1912 OG1 THR A 275 120. ,185 21, ,129 25. ,453 1. ,00 34. ,96 AAAA O

ATOM 1913 CG2 THR A 275 121. ,537 20. ,348 23. ,601 1. ,00 35. ,35 AAAA C

ATOM 1914 C THR A 275 117. ,987 21. ,836 23. ,855 1. ,00 34. ,91 AAAA C

ATOM 1915 O THR A 275 117. ,803 22. ,736 24. ,675 1. ,00 35, ,34 AAAA O

ATOM 1916 N PRO A 276 116, ,994 21. ,022 23, ,474 1. ,00 34. .91 AAAA N

ATOM 1917 CD PRO A 276 117. ,029 19. .831 22, ,612 1. ,00 32. ,05 AAAA C

ATOM 1918 CA PRO A 276 115. ,657 21. ,213 24. ,032 1. ,00 34. ,70 AAAA C

ATOM 1919 CB PRO A 276 114, ,800 20. .312 23. ,164 1, ,00 29, , 16 AAAA C

ATOM 1920 CG PRO A 276 115. ,709 19. ,168 22. ,938 1. ,00 33. ,03 AAAA C

ATOM 1921 C PRO A 276 115. ,634 20, ,788 25. ,486 1. ,00 39. ,58 AAAA C

ATOM 1922 O PRO A 276 116. ,478 20. ,002 25. ,921 1. 00 40. ,36 AAAA O

ATOM 1923 N THR A 277 114. ,685 21, .327 26, .242 1. ,00 40. ,67 AAAA N

ATOM 1924 CA THR A 277 114. ,553 20, .960 27. .637 1. ,00 40. ,93 AAAA C

ATOM 1925 CB THR A 277 113. ,847 22, .033 28, ,459 1. ,00 38. ,57 AAAA C

ATOM 1926 OG1 THR A 277 112. .528 22. .223 27. .941 1. ,00 36, .51 AAAA O

ATOM 1927 CG2 THR A 277 114. .619 23. .344 28. .419 1, ,00 32. .96 AAAA C

ATOM 1928 C THR A 277 113. .652 19. .753 27. .582 1, ,00 46. .17 AAAA C

ATOM 1929 O THR A 277 112. .990 19. .518 26. .568 1, ,00 47. .99 AAAA O

ATOM 1930 N ARG A 278 113, ,626 18, .992 28. .667 1. ,00 47. .36 AAAA N

ATOM 1931 CA ARG A 278 112, ,805 17, .795 28. .746 1. .00 49, .50 AAAA C

ATOM 1932 CB ARG A 278 112. .980 17, .157 30, .120 1. .00 50. .76 AAAA C

ATOM 1933 CG ARG A 278 114, .434 16, .830 30, .377 1. ,00 55. .81 AAAA C

ATOM 1934 CD ARG A 278 114, .657 16, .052 31, .649 1, .00 59, .76 AAAA C

ATOM 1935 NE ARG A 278 115, .932 15, .345 31, .585 1. .00 61, .10 AAAA N

ATOM 1936 CZ ARG A 278 116, .153 14, .286 30, .811 1, .00 64, .32 AAAA C

ATOM 1937 NHl ARG A 278 115, .179 13, .804 30, .037 1, .00 62, .38 AAAA N

ATOM 1938 NH2 ARG A 278 117 .355 13 .718 30, .799 1, .00 66 .84 AAAA N

ATOM 1939 C ARG A 278 111 .349 18 .133 28, .483 1, .00 49 .01 AAAA C

ATOM 1940 O ARG A 278 110 .627 17 .375 27, .830 1, .00 50 .89 AAAA O

ATOM 1941 N GLU A 279 110 .923 19 .283 28, .988 1, .00 49, .45 AAAA N

ATOM 1942 CA GLU A 279 109 .558 19 .726 28 .789 1 .00 49 .93 AAAA C

ATOM 1943 CB GLU A 279 109 .344 21 .068 29 .479 1 .00 53 .88 AAAA C

ATOM 1944 CG GLU A 279 107 .904 21 .554 29 .482 1 .00 62 .56 AAAA C

ATOM 1945 CD GLU A 279 107 .802 23 .049 29 .762 1 .00 68 .81 AAAA C

ATOM 1946 OEl GLU A 279 106 .681 23 .526 30 .070 1 .00 71 .25 AAAA O

ATOM 1947 OE2 GLU A 279 108 .845 23 .744 29 .663 1 .00 73 .82 AAAA O

ATOM 1948 C GLU A 279 109 .335 19 .875 27 .286 1 .00 48 .40 AAAA C

ATOM 1949 O GLU A 279 108 .299 19 .476 26 .763 1 .00 46 .22 AAAA O

ATOM 1950 N GLN A 280 110 .326 20 .441 26 .598 1 .00 46 .77 AAAA N

ATOM 1951 CA GLN A 280 110 .243 20 .657 25 .156 1 .00 44 .73 AAAA C ATOM 1952 CB GLN A 280 111.418 21.520 24.684 1,.00 43.98 AAAA C

ATOM 1953 CG GLN A 280 111.350 22.957 25.188 1, ,00 40, .71 AAAA C

ATOM 1954 CD GLN A 280 112.550 23.794 24.789 1, ,00 41, .98 AAAA C

ATOM 1955 OEl GLN A 280 113.697 23.409 25.022 1. .00 43, .12 AAAA O

ATOM 1956 NE2 GLN A 280 112.291 24.956 24.197 1. ,00 43. ,26 AAAA N

ATOM 1957 C GLN A 280 110.211 19.347 24.390 1, ,00 44, .16 AAAA C

ATOM 1958 0 GLN A 280 109.474 19.213 23.416 1. .00 40, .86 AAAA O

ATOM 1959 N ILE A 281 111.010 18.384 24.836 1. .00 41, .17 AAAA N

ATOM 1960 CA ILE A 281 111.058 17.075 24.196 1. .00 44, .09 AAAA C

ATOM 1961 CB ILE A 281 112.153 16.194 24.806 1. .00 45, .33 AAAA C

ATOM 1962 CG2 ILE A 281 112.175 14.849 24.094 1. ,00 44. ,21 AAAA C

ATOM 1963 CGI ILE A 281 113.507 16.913 24.719 1, .00 46 .89 AAAA C

ATOM 1964 CD1 ILE A 281 114.617 16.271 25.548 1, .00 46. .43 AAAA C

ATOM 1965 C ILE A 281 109.723 16.360 24.375 1, .00 44, .16 AAAA C

ATOM 1966 O ILE A 281 109.195 15.755 23.443 1, .00 41, .92 AAAA O

ATOM 1967 N ARG A 282 109.188 16.420 25.586 1. .00 43, .78 AAAA N

ATOM 1968 CA ARG A 282 107.912 15.793 25.867 1, .00 47, .34 AAAA C

ATOM 1969 CB ARG A 282 107.492 16.120 27.293 1, .00 47, .56 AAAA C

ATOM 1970 CG ARG A 282 107.038 14.926 28.097 1. .00 56, .91 AAAA C

ATOM 1971 CD ARG A 282 107.053 15.263 29.580 1. .00 60, .66 AAAA C

ATOM 1972 NE ARG A 282 108.415 15.372 30.104 1. ,00 63. .88 AAAA N

ATOM 1973 CZ ARG A 282 108.781 16.208 31.074 1. .00 64, .58 AAAA C

ATOM 1974 NHl ARG A 282 107.888 17.021 31.627 1. .00 66. .05 AAAA N

ATOM 1975 NH2 ARG A 282 110.040 16.229 31.498 1. .00 65. .87 AAAA N

ATOM 1976 C ARG A 282 106.908 16.362 24.872 1, .00 47, .95 AAAA C

ATOM 1977 O ARG A 282 106.179 15.621 24.215 1. .00 51, .48 AAAA O

ATOM 1978 N GLU A 283 106.896 17.686 24.753 1, ,00 47, .82 AAAA N

ATOM 1979 CA GLU A 283 105.997 18.398 23.847 1, .00 48, .75 AAAA C

ATOM 1980 CB GLU A 283 106.283 19.897 23.905 1, .00 53, .09 AAAA C

ATOM 1981 CG GLU A 283 105.928 20.571 25.213 1, .00 59, .94 AAAA C

ATOM 1982 CD GLU A 283 104.437 20.808 25.363 1, .00 63, .87 AAAA C

ATOM 1983 OEl GLU A 283 103.710 20.723 24.342 1, ,00 65, .46 AAAA O

ATOM 1984 OE2 GLU A 283 103.998 21.099 26.502 1, .00 68, .43 AAAA O

ATOM 1985 C GLU A 283 106.110 17.946 22.391 1, .00 48, .35 AAAA C

ATOM 1986 O GLU A 283 105.097 17.718 21.721 1. .00 49, .07 AAAA O

ATOM 1987 N MET A 284 107.344 17.844 21.899 1. .00 45, .90 AAAA N

ATOM 1988 CA MET A 284 107.584 17.438 20.519 1. .00 44. ,80 AAAA C

ATOM 1989 CB MET A 284 109.061 17.593 20.150 1, .00 40, .08 AAAA C

ATOM 1990 CG MET A 284 109.581 19.007 20.251 1, .00 41, .71 AAAA C

ATOM 1991 SD MET A 284 111.208 19.219 19.517 1. .00 42, .52 AAAA S

ATOM 1992 CE MET A 284 112.264 18.760 20.845 1. .00 35, . 69 AAAA C

ATOM 1993 C MET A 284 107.170 15.999 20.308 1. .00 45 .20 AAAA C fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc f fc fc fc fc fc t-3 H H Hi t-3 t-3 ι-3 t-3 Hi t-3 H HI ι-3 H H t-3 t-3 H ι-3 ι-3 Hi t-3 HI δ fc fc

H HI HI H ι-3 H δ Hi δ H t-3 H δ c

H t-3 H t-3 δ H t-3 H H HI d d d d d d d d d d d d d O O O O O O O O d d Ω d d d d d d d d d d d d d d d d d O

2 3 2 3 3 3 3 2 2 2 2 3 3 3 3 2 2 2 2 2 2 2 2 3 3 3 3 2 3 3 3 3 3 3 3 2 2 2 2 2 2 2 O CO DO CO to DO to CO CO CO O CO CO CO to CO to CO CO CO to to CO to DO CO to to DO DO DO to to DO to DO H H H> H> H> H o O O O O o o o o o o o o o o o o o o o o o o o O O O o o O o o o O O O VD VD VD VD VO VD

LO LO LO 0J J 0J O CO O to to to to to DO CO H H H H H H H¹ H H H o o O O o o o O O O VO VD VD VD VO VD

Lπ Φ- 00 co H o VD 00 CΛ LΠ φ- LO CO H o VD 03 v] en LΠ φ. OJ DO H O vo CO v en in φ. LO to H O VO 03 v3 CΛ UI Φ-

Ω Ω d Ω Ω S3 d Ω d Ω Ω Ω Ω Ω Ω Ω Ω S3

X Ω to o O a d Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω S3 d Ω Ω Ω -3 d

Ω Ω 03 fc ffi tJ CO O CO fc o

CO O α Ω 03 fc Ω 03 fc α O O H> CO α Ω to fc

H> K- DO H H

H ι-3 ι-3 Hi 3 ι-3 HI t-3 t-3 ι-3 H t-3 ι-3 t-3 H ι-3 t-3 H fc fc fc fc fc fc fc fc 13 13 13 13 13 13 13 fc fc fc fc fc fc fc ffi Ki Ki Ki Ki Ki fc 2 ffi ffi ffi ffi Ki Kj Ki i Ki CQ cn cn cn n CQ cn cn to to to to X to X cn CQ CQ CQ CO cn cn cn CO

X to to to to to X X X to X X to X X X X to S3 S3 S3 S3 S3 S3 S3 S3 d d d d d d O S3 S3 S3 -3 S3 S3 S3 S3 t-3 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

DO to CO CO to CO CO CO O DO O CO CO CO O CO to CO to to DO DO DO to DO CO to to to DO to DO t to DO to to to CO CO CO O

CO 00 03 co 03 03 03 03 co CO oo CO 00 oo 00 co CO CO 00 03 CO CO 00 03 03 00 CO co oo 00 co CO 00 oo CO 03 co 00 00 CO 00 CO

VO VD VO VD VD VO 03 00 03 00 oo 00 oo 00 oo 00 03 03 va v v] -J v] va va en CΛ CΛ en cn CΛ CΛ LΠ in LΠ in in LΠ in in φ.

H H H> H H H H H H H H H H H> H H H H H H H H H H H H H H¹ H to H w H> H H H H H H H¹ o O o o o o o o o o o o o o o o O o o O O o o Φ- LO 00 H¹ en LΠ φ. LO Φ- 0J CO H o vo VD φ. φ. φ> CΛ cn en cn in

H Φ- in 00 vj 03 03 00 v] en VO LΠ 00 O o D en 00 φ- vo in CO to v] o LΠ o 00 00 o Φ- to H on 03 H* va o O φ. oo CΛ to in H o va v o v 00 in vj H VO to o 00 o VD oo cn v O in 00 Φ- 00 LΠ v oo cn 0J to va Φ- in vo 00 φ. in cn vo oo CO o in v] vo σ. 00 in H m Φ- O H o

H H H H H H H H H- H H¹ H¹ H H H

VD v] v] VD vo o VD o O D vo H o o VD vo v] CO en 03 v] 00 03 o o H DO LO to CO H- H H O OJ LΠ LΠ o 03 -J σ 03 v3 00 VD vo vl 00 co v] VD cn vo cn VD o 00 Π o 00 O vo 03 o in VD CΛ

CO H H 03 VD CO φ. φ. en VD vo VD H o cn to vj H vo H in vo σ CO CO in 00 00 VO o 0J CO en Φ> LΠ OJ H¹ cn va o φ. cn DO LO o in CΛ o Lπ en LΠ 03 03 o H VD 00 00

CO CO CO co to to DO O CO DO to CO CO CO O O H- H CO CO to in CO en m H H CO O 0J 0J 00 OJ in rf* oo Φ> O co 00 00 VO O H vo vi H o vo VD vo v] o o H O cn φ. 00 in 0J H H o 03 H VO Φ- 00 00 O LO φ. φ- O cn 03 00 φ. H m CΛ vo vo o H φ. VO H σ m φ- 00 in o VD 00 CΛ 03

CO H o Φ- Φ- Φ- Φ- 03 H φ. φ- 00 cn o en o to 03 03 H vo 0J O vo 00 LO vl

H H H H H> H H H> l-> t-> H> H> H H¹ H H H H H H¹ H H- H H H H H H¹ H> H H H H H H H" H> I-¹ H H o o o O o o o o o O o o o o o O o o o o o o o o O O O O o o o o o o O O O o o o O O o o o o o O o o o o o O o o o o o o o o O o o o o o o O O o o O O O O o

Φ- Φ» φ- φ. Φ- Φ. Φ- LO L0 LO Φ> φ. cn in in φ. in φ. in Φ- φ. Φ- Φ- φ. Φ- φ- φ. φ. Φ- in LΠ cn vj o DO H VD v 00 LΠ l LΠ o Φ- H> o LΠ o vo o vo H VD cn cn H φ> en LΠ oo v]

Φ- LO φ- VO 0J o φ. CO vo 00 cn to Lπ in DO m vo in Φ- o LO in to o o vo LΠ cn in LΠ v3 φ. φ> φ. Φ- o vl o cn o o vj 03 D co v] vo o σ CΛ vj vo OJ Φ, Φ- OJ LO

Ω Ω d Ω Ω -3 d Ω d Ω Ω Ω O Ω Ω Ω Ω -3 0 Ω -3 0 Ω Ω Ω -3 0 Ω Ω Ω O Ω S3 0 Ω S3 d O Ω Ω S3 d

ATOM 2036 O THR A 289 115,.060 8,.280 24..909 1..00 46,.17 AAAA O

ATOM 2037 N GLU A 290 115. ,184 9, .898 26, .497 1. .00 46 .30 AAAA N

ATOM 2038 CA GLU A 290 116. .642 10. ,001 26. .517 1. ,00 48, .91 AAAA C

ATOM 2039 CB GLU A 290 117. ,159 11, .121 25. .609 1, .00 47, .54 AAAA C

ATOM 2040 CG GLU A 290 118. ,676 11. .129 25. .497 1. .00 45. .98 AAAA C

ATOM 2041 CD GLU A 290 119. .193 11. .773 24. ,218 1. ,00 48, .16 AAAA C

ATOM 2042 OEl GLU A 290 120. 422 11. ,808 24. 049 1. 00 49, ,12 AAAA O

ATOM 2043 OE2 GLU A 290 118. 397 12. ,243 23. ,378 1. ,00 46, ,89 AAAA O

ATOM 2044 C GLU A 290 116. .933 10. ,309 27. ,981 1. ,00 50, .26 AAAA C

ATOM 2045 O GLU A 290 116, .604 11. .388 28, ,471 1. ,00 53. .25 AAAA O

ATOM 2046 N PHE A 291 117. .524 9. .342 28. .681 1, ,00 50. ,21 AAAA N

ATOM 2047 CA PHE A 291 117. .808 9. .478 30, .111 1, ,00 50. .83 AAAA C

ATOM 2048 CB PHE A 291 118, .176 8. .110 30, .720 1. ,00 49, .00 AAAA C

ATOM 2049 CG PHE A 291 117, ,165 7, .028 30. .435 1. .00 47, .45 AAAA C

ATOM 2050 CD1 PHE A 291 117, ,281 6, .226 29, .302 1, .00 48, .83 AAAA C

ATOM 2051 CD2 PHE A 291 116, ,062 6, ,856 31, .260 1. .00 48, .25 AAAA C

ATOM 2052 CEl PHE A 291 116, ,304 5. .268 28, .992 1. .00 50, ,93 AAAA C

ATOM 2053 CE2 PHE A 291 115, .081 5. .903 30, .959 1, .00 49, .67 AAAA C

ATOM 2054 CZ PHE A 291 115. .202 5, .110 29, ,824 1, .00 47, .70 AAAA C

ATOM 2055 C PHE A 291 118, ,879 10, .496 30, .458 1, .00 50. .97 AAAA C

ATOM 2056 O PHE A 291 118. ,868 11. .069 31, .549 1, .00 51, .34 AAAA O

ATOM 2057 N LYS A 292 119, .798 10, .741 29, .537 1, .00 49, .12 AAAA N

ATOM 2058 CA LYS A 292 120, .851 11, .691 29, .820 1, .00 48, .45 AAAA C

ATOM 2059 CB LYS A 292 121, .943 10, .990 30, .622 1, .00 49, .13 AAAA C

ATOM 2060 CG LYS A 292 123. .125 11. .861 30. .978 1, ,00 60, .09 AAAA C

ATOM 2061 CD LYS A 292 124, .399 11, .030 31, .103 1, ,00 62, .38 AAAA C

ATOM 2062 CE LYS A 292 124, .731 10, .345 29, .776 1, .00 65, .12 AAAA C

ATOM 2063 NZ LYS A 292 125, .962 9, .513 29, .856 1, .00 67, .85 AAAA N

ATOM 2064 C LYS A 292 121, .420 12, .251 28, .528 1, .00 46, .68 AAAA C

ATOM 2065 O LYS A 292 121. .559 11, .535 27, .540 1, .00 45, .73 AAAA O

ATOM 2066 N PHE A 293 121, .730 13, .541 28, .543 1 .00 44 .27 AAAA N

ATOM 2067 CA PHE A 293 122 .303 14 .226 27 .395 1 .00 43 .76 AAAA C

ATOM 2068 CB PHE A 293 121, .247 14. .441 26. .297 1, .00 43 .88 AAAA C

ATOM 2069 CG PHE A 293 120 .138 15 .408 26 .671 1 .00 43 .93 AAAA C

ATOM 2070 CD1 PHE A 293 120 .333 16 .792 26 .589 1 .00 43 .78 AAAA C

ATOM 2071 CD2 PHE A 293 118 .888 14 .934 27 .086 1 .00 43 .34 AAAA C

ATOM 2072 CEl PHE A 293 119 .297 17 .684 26 .911 1 .00 44 .84 AAAA C

ATOM 2073 CE2 PHE A 293 117 .843 15 .819 27 .410 1 .00 41 .89 AAAA C

ATOM 2074 CZ PHE A 293 118 .048 17 .191 27 .324 1 .00 42 .48 AAAA C

ATOM 2075 c PHE A 293 122 .854 15 .559 27 .878 1 .00 42 .47 AAAA C

ATOM 2076 0 PHE A 293 122 .291 16 .182 28 .780 1 .00 39 .39 AAAA O

ATOM 2077 N PRO A 294 123, .974 16 .008 27 .294 1, .00 44 .08 AAAA N ATOM 2078 CD PRO A 294 124.,650 15..405 26.,135 1.00 43.,62 AAAA C

ATOM 2079 CA PRO A 294 124. ,616 17. ,270 27. ,658 1. 00 44. . 99 AAAA C

ATOM 2080 CB PRO A 294 125, ,932 17. ,203 26, ,911 1. ,00 43. ,98 AAAA C

ATOM 2081 CG PRO A 294 125. ,532 16. ,539 25, ,653 1. ,00 46, .93 AAAA C

ATOM 2082 C PRO A 294 123. ,758 18. ,439 27. ,216 1. ,00 46. ,78 AAAA C

ATOM 2083 O PRO A 294 123. ,276 18. .477 26, .085 1. ,00 48. .04 AAAA O

ATOM 2084 N GLN A 295 123. ,577 19, ,397 28. ,113 1. ,00 49, .87 AAAA N

ATOM 2085 CA GLN A 295 122, ,751 20, ,554 27. ,830 1. ,00 52, ,55 AAAA C

ATOM 2086 CB GLN A 295 121. ,911 20, ,871 29. ,064 1. 00 52. ,41 AAAA C

ATOM 2087 CG GLN A 295 120. ,942 19. ,731 29. ,365 1. 00 57. ,58 AAAA C

ATOM 2088 CD GLN A 295 119. ,996 20. ,016 30. ,514 1. 00 60. ,33 AAAA C

ATOM 2089 OEl GLN A 295 120, .399 20, .019 31. ,683 1, ,00 61, .93 AAAA O

ATOM 2090 NE2 GLN A 295 118. ,722 20, ,260 30. ,188 1. ,00 56. .58 AAAA N

ATOM 2091 C GLN A 295 123. .513 21, ,782 27. ,338 1. ,00 55. ,16 AAAA C

ATOM 2092 O GLN A 295 124. ,313 22, ,378 28. ,060 1. ,00 58, ,96 AAAA O

ATOM 2093 N ILE A 296 123. ,243 22, ,136 26. .085 1. ,00 55. .91 AAAA N

ATOM 2094 CA ILE A 296 123. ,857 23, ,270 25. .409 1, ,00 55. .91 AAAA C

ATOM 2095 CB ILE A 296 124, ,291 22, ,843 24. .003 1, ,00 55, .85 AAAA C

ATOM 2096 CG2 ILE A 296 124, .989 23. .981 23. .286 1, ,00 56. ,58 AAAA C

ATOM 2097 CGI ILE A 296 125, .204 21. .628 24. .128 1. ,00 55. .58 AAAA C

ATOM 2098 CD1 ILE A 296 125, .593 21. .024 22. .821 1, ,00 59. .18 AAAA C

ATOM 2099 C ILE A 296 122, .857 24. .431 25. .324 1. .00 56. .22 AAAA C

ATOM 2100 0 ILE A 296 121, .707 24, .245 24, .931 1, .00 55, .27 AAAA O

ATOM 2101 N LYS A 297 123, .301 25, .626 25. .703 1, .00 54, .47 AAAA N

ATOM 2102 CA LYS A 297 122, .445 26, .803 25, ,685 1, ,00 53, .92 AAAA C

ATOM 2103 CB LYS A 297 122, .983 27, .839 26, .677 1, ,00 55, ,88 AAAA C

ATOM 2104 CG LYS A 297 121, .906 28, .715 27, .293 1, .00 62, .65 AAAA C

ATOM 2105 CD LYS A 297 122, .501 29 .866 28, .093 1. .00 66, .00 AAAA C

ATOM 2106 CE LYS A 297 123, .294 29 .372 29, .291 1, .00 67, .12 AAAA C

ATOM 2107 NZ LYS A 297 123, .793 30 .503 30, .118 1. .00 67, .10 AAAA N

ATOM 2108 C LYS A 297 122, .338 27, .407 24, .273 1, .00 52, .93 AAAA C

ATOM 2109 O LYS A 297 123 .191 27 .178 23 .408 1, .00 53 .60 AAAA O

ATOM 2110 N ALA A 298 121 .285 28 .183 24 .042 1, ,00 52 .01 AAAA N

ATOM 2111 CA ALA A 298 121 .059 28 .796 22 .736 1, .00 52 .12 AAAA C

ATOM 2112 CB ALA A 298 119 .581 29 .082 22 .556 1. .00 50 .70 AAAA C

ATOM 2113 C ALA A 298 121 .844 30 .074 22 .501 1, ,00 51 .36 AAAA C

ATOM 2114 0 ALA A 298 122 .135 30 .818 23 .431 1 .00 55 .40 AAAA O

ATOM 2115 N HIS A 299 122 .185 30 .327 21 .246 1 .00 48 .49 AAAA N

ATOM 2116 CA HIS A 299 122 .889 31 .547 20 .897 1 .00 49 .35 AAAA C

ATOM 2117 CB HIS A 299 123 .629 31 .366 19 .570 1 .00 51 .94 AAAA C

ATOM 2118 CG HIS A 299 124 .918 30 .616 19 .700 1 .00 57 .25 AAAA C

ATOM 2119 CD2 HIS A 299 126 .143 30 .849 19 .170 1 .00 59 .42 AAAA C ATOM 2120 NDl HIS A 299 125.,039 29.,469 20..456 1.,00 60.,45 AAAA N

ATOM 2121 CEl HIS A 299 126, .283 29, .027 20, .386 1. ,00 60, .01 AAAA C

ATOM 2122 NE2 HIS A 299 126, ,974 29, .846 19. .612 1. ,00 61. ,68 AAAA N

ATOM 2123 C HIS A 299 121. ,843 32, ,662 20. .787 1. ,00 47. .60 AAAA C

ATOM 2124 O HIS A 299 120, ,649 32, ,392 20. ,645 1. ,00 47. .92 AAAA O

ATOM 2125 N PRO A 300 122. ,275 33. .928 20, .870 1. ,00 47. .04 AAAA N

ATOM 2126 CD PRO A 300 123. .652 34. .366 21, .134 1. ,00 47, .28 AAAA C

ATOM 2127 CA PRO A 300 121, .373 35, .084 20. .781 1, ,00 44, .76 AAAA C

ATOM 2128 CB PRO A 300 122. .257 36, .263 21, .192 1, ,00 45, .40 AAAA C

ATOM 2129 CG PRO A 300 123. .416 35, .627 21, .905 1. ,00 49, ,42 AAAA C

ATOM 2130 C PRO A 300 120, .881 35, .261 19, .361 1, .00 43, .60 AAAA C

ATOM 2131 O PRO A 300 121. ,677 35. ,230 18. ,419 1. 00 42. ,28 AAAA O

ATOM 2132 N TRP A 301 119. .578 35, ,462 19, .200 1. ,00 44. .72 AAAA N

ATOM 2133 CA TRP A 301 119. ,023 35. ,652 17. ,867 1. 00 44. ,44 AAAA C

ATOM 2134 CB TRP A 301 117. ,504 35, .808 17. .926 1. ,00 44, .82 AAAA C

ATOM 2135 CG TRP A 301 116. .770 34, ,520 18. ,090 1. .00 43. .03 AAAA C

ATOM 2136 CD2 TRP A 301 116. .590 33, .511 17. .096 1, ,00 40, .64 AAAA C

ATOM 2137 CE2 TRP A 301 115. ,801 32, .492 17. .672 1. ,00 38. .34 AAAA C

ATOM 2138 CE3 TRP A 301 117. ,022 33. .365 15. .771 1. ,00 43. ,18 AAAA C

ATOM 2139 CD1 TRP A 301 116, .107 34. .086 19. .202 1. ,00 41. .73 AAAA C

ATOM 2140 NEl TRP A 301 115, .519 32. ,869 18. .958 1. ,00 37. .98 AAAA N

ATOM 2141 CZ2 TRP A 301 115. .429 31. .348 16. .969 1. ,00 39, .06 AAAA C

ATOM 2142 CZ3 TRP A 301 116. .652 32. ,222 15, .071 1. ,00 41. .99 AAAA C

ATOM 2143 CH2 TRP A 301 115. .862 31. .229 15, .675 1. .00 40, .25 AAAA C

ATOM 2144 C TRP A 301 119. .627 36. .889 17. .222 1. ,00 42, .28 AAAA C

ATOM 2145 0 TRP A 301 119, .822 36. .927 16, .003 1, .00 40, .57 AAAA O

ATOM 2146 N THR A 302 119. .923 37, .892 18, .052 1, .00 39, .75 AAAA N

ATOM 2147 CA THR A 302 120, .494 39, .152 17, .584 1. .00 42 .28 AAAA C

ATOM 2148 CB THR A 302 120, .743 40. .136 18, .760 1. .00 42, .44 AAAA C

ATOM 2149 OG1 THR A 302 121, .377 39, .451 19, .850 1, .00 48 .37 AAAA O

ATOM 2150 CG2 THR A 302 119. ,434 40, .736 19, .239 1. .00 38 .96 AAAA C

ATOM 2151 C THR A 302 121 .796 38 .944 16 .829 1, .00 43 .63 AAAA C

ATOM 2152 O THR A 302 122 .177 39 .767 15 .987 1, ,00 46 .81 AAAA O

ATOM 2153 N LYS A 303 122, .472 37, .835 17, .121 1. .00 42, .90 AAAA N

ATOM 2154 CA LYS A 303 123 .733 37 .529 16 .460 1 .00 42 .93 AAAA C

ATOM 2155 CB LYS A 303 124 .764 37, .067 17 .486 1, .00 41 .05 AAAA C

ATOM 2156 CG LYS A 303 125 .063 38 .142 18 .528 1 .00 50 .22 AAAA C

ATOM 2157 CD LYS A 303 125 .314 39 .503 17 .863 1, .00 52 .00 AAAA C

ATOM 2158 CE LYS A 303 125 .177 40 .658 18 .846 1 .00 54 .37 AAAA C

ATOM 2159 NZ LYS A 303 125 .267 41 .970 18 .135 1, .00 59 .79 AAAA N

ATOM 2160 C LYS A 303 123 .593 36 .511 15 .336 1 .00 43 .39 AAAA C

ATOM 2161 O LYS A 303 124 .495 36 .375 14 .507 1, .00 40 .67 AAAA O ATOM 2162 N VAL A 304 122.,462 35,.809 15..292 1.,00 41..26 AAAA N

ATOM 2163 CA VAL A 304 122. .246 34, .845 14. .228 1. ,00 39. . 06 AAAA C

ATOM 2164 CB VAL A 304 120. ,911 34. .099 14. ,359 1. 00 40. .98 AAAA C

ATOM 2165 CGI VAL A 304 120, .701 33, .212 13, .157 1. ,00 34, .15 AAAA C

ATOM 2166 CG2 VAL A 304 120. ,905 33. .261 15. .612 1. 00 41, ,07 AAAA C

ATOM 2167 C VAL A 304 122, .213 35, .598 12, .923 1. ,00 39, .76 AAAA C

ATOM 2168 0 VAL A 304 122. .743 35, .128 11. .920 1, ,00 40. .93 AAAA O

ATOM 2169 N PHE A 305 121, .599 36, .779 12. .940 1, ,00 41. .06 AAAA N

ATOM 2170 CA PHE A 305 121, .478 37, .585 11, .723 1. ,00 38, .75 AAAA C

ATOM 2171 CB PHE A 305 120, ,050 38. ,124 11. .585 1. 00 36. ,83 AAAA C

ATOM 2172 CG PHE A 305 118, .981 37, .069 11, .728 1. .00 32. ,72 AAAA C

ATOM 2173 GDI PHE A 305 118. ,484 36. ,730 12. ,984 1. 00 30. 15 AAAA C

ATOM 2174 CD2 PHE A 305 118. .489 36. .398 10, .609 1. ,00 31. ,71 AAAA C

ATOM 2175 CEl PHE A 305 117. .509 35. .734 13. ,126 1. 00 28. ,47 AAAA C

ATOM 2176 CE2 PHE A 305 117. .518 35. .403 10. ,740 1. ,00 31. ,58 AAAA C

ATOM 2177 CZ PHE A 305 117. .027 35. .070 12. .004 1. ,00 31. .58 AAAA C

ATOM 2178 C PHE A 305 122. .472 38. .734 11. .659 1. ,00 37. .60 AAAA C

ATOM 2179 O PHE A 305 123. .070 39. .102 12, .675 1. ,00 35, ,03 AAAA O

ATOM 2180 N ARG A 306 122. .642 39. .290 10. .457 1. ,00 40, ,41 AAAA N

ATOM 2181 CA ARG A 306 123. .575 40, .393 10, .245 1, ,00 43. .35 AAAA C

ATOM 2182 CB ARG A 306 123. .522 40, .891 8, .795 1, ,00 48. .61 AAAA C

ATOM 2183 CG ARG A 306 122. .460 41, .958 8. .554 1. .00 58. .96 AAAA C

ATOM 2184 CD ARG A 306 122. .471 42, .524 7, .134 1, .00 66. .01 AAAA C

ATOM 2185 NE ARG A 306 122, .190 41. .498 6, .135 1. ,00 69. .37 AAAA N

ATOM 2186 CZ ARG A 306 123, .122 40, .766 5, .532 1, ,00 72. .87 AAAA C

ATOM 2187 NHl ARG A 306 124, .405 40, .954 5, .825 1, .00 73, .21 AAAA N

ATOM 2188 NH2 ARG A 306 122, .770 39. ,839 4, .644 1, .00 75. .85 AAAA N

ATOM 2189 C ARG A 306 123 .167 41 .508 11 .187 1, .00 42, .20 AAAA C

ATOM 2190 0 ARG A 306 122. .047 41. .522 11, .679 1, .00 40. .97 AAAA O

ATOM 2191 N PRO A 307 124, .068 42, .465 11. .448 1. .00 43. .57 AAAA N

ATOM 2192 CD PRO A 307 125 .491 42, .512 11 .058 1, .00 40, .95 AAAA C

ATOM 2193 CA PRO A 307 123, .738 43, .573 12 .357 1, .00 43, .60 AAAA C

ATOM 2194 CB PRO A 307 125 .062 44 .346 12 .447 1 .00 42 .43 AAAA C

ATOM 2195 CG PRO A 307 126, .104 43, .279 12 .202 1, .00 38, .95 AAAA C

ATOM 2196 C PRO A 307 122 .562 44 .476 11 .930 1 .00 44 .89 AAAA C

ATOM 2197 O PRO A 307 121 .789 44 .940 12 .777 1 .00 46 .10 AAAA O

ATOM 2198 N ARG A 308 122 .423 44 .717 10 .626 1 .00 46 .14 AAAA N

ATOM 2199 CA ARG A 308 121 .365 45 .595 10 .123 1 .00 50 .20 AAAA C

ATOM 2200 CB ARG A 308 121 .734 46 .180 8 .750 1 .00 55 .54 AAAA C

ATOM 2201 CG ARG A 308 122 .816 47 .276 8 .771 1 .00 62 .94 AAAA C

ATOM 2202 CD ARG A 308 124 .200 46 .656 8 .899 1 .00 71 .49 AAAA C

ATOM 2203 NE ARG A 308 124 .425 45 .698 7 .821 1 .00 73 .13 AAAA N ATOM 2204 CZ ARG A 308 125.,354 44..759 7.,846 1.00 72.,80 AAAA C

ATOM 2205 NHl ARG A 308 126. ,145 44. .657 8. ,902 1. 00 74. ,07 AAAA N

ATOM 2206 NH2 ARG A 308 125, .474 43, .922 6. ,824 1. ,00 76. ,19 AAAA N

ATOM 2207 C ARG A 308 119. ,977 44. .999 10, ,019 1. ,00 50. ,38 AAAA C

ATOM 2208 O ARG A 308 119. .049 45. .690 9. ,622 1. ,00 53. .24 AAAA O

ATOM 2209 N THR A 309 119. .833 43. .726 10, ,367 1. ,00 49. .90 AAAA N

ATOM 2210 CA THR A 309 118. ,537 43. .046 10. .306 1. ,00 46. .12 AAAA C

ATOM 2211 CB THR A 309 118. .672 41. .579 10. ,768 1. ,00 45. .63 AAAA C

ATOM 2212 OG1 THR A 309 119. .694 40. .934 10. ,001 1. ,00 43. .12 AAAA O

ATOM 2213 CG2 THR A 309 117, .355 40, .832 10, ,582 1. ,00 53. ,14 AAAA C

ATOM 2214 C THR A 309 117. ,488 43. .743 11. ,187 1. ,00 43. .38 AAAA C

ATOM 2215 O THR A 309 117. .718 43. .970 12. .383 1. ,00 43, .98 AAAA O

ATOM 2216 N PRO A 310 116, .332 44, .112 10. ,599 1. .00 42, .00 AAAA N

ATOM 2217 CD PRO A 310 115. .971 44, .091 9. ,173 1, .00 39, .73 AAAA C

ATOM 2218 CA PRO A 310 115. .293 44, .776 11. ,392 1. .00 39, .42 AAAA C

ATOM 2219 CB PRO A 310 114. .167 45, .020 10. ,379 1. ,00 39, .26 AAAA C

ATOM 2220 CG PRO A 310 114, .480 44, .114 9, .237 1, .00 39, .30 AAAA C

ATOM 2221 C PRO A 310 114, .873 43. .912 12. .576 1, .00 42, .01 AAAA c

ATOM 2222 O PRO A 310 114. ,421 42, .780 12. ,407 1. ,00 46. .46 AAAA O

ATOM 2223 N PRO A 311 115, .014 44, .453 13. .797 1. ,00 42, ,81 AAAA N

ATOM 2224 CD PRO A 311 115. .265 45. .894 13. .997 1. ,00 40, .35 AAAA C

ATOM 2225 CA PRO A 311 114, .688 43, .805 15. .075 1. .00 41, .84 AAAA C

ATOM 2226 CB PRO A 311 114, .681 44, .976 16. .057 1. .00 43, .66 AAAA C

ATOM 2227 CG PRO A 311 115, .645 45, .950 15, .438 1. .00 43, .73 AAAA c

ATOM 2228 C PRO A 311 113, .377 43, .019 15, ,113 1, .00 42, .65 AAAA c

ATOM 2229 O PRO A 311 113, .319 41, .916 15, .657 1. .00 46, .16 AAAA 0

ATOM 2230 N GLU A 312 112 .326 43 .596 14 .537 1, .00 40 .68 AAAA N

ATOM 2231 CA GLU A 312 111, .013 42, .965 14, .520 1. .00 40, .73 AAAA C

ATOM 2232 CB GLU A 312 109 .954 43 .971 14 .063 1, .00 39 .76 AAAA C

ATOM 2233 CG GLU A 312 109, .253 44, .649 15, ,235 1, .00 50, .55 AAAA c

ATOM 2234 CD GLU A 312 108 .226 45 .684 14 .807 1 .00 58 .21 AAAA c

ATOM 2235 OEl GLU A 312 107 .415 46 .110 15 .671 1 .00 60 .95 AAAA 0

ATOM 2236 OE2 GLU A 312 108 .238 46 .074 13 .614 1 .00 59 .14 AAAA 0

ATOM 2237 C GLU A 312 110 .945 41 .707 13 .675 1 .00 38 .19 AAAA c

ATOM 2238 O GLU A 312 110 .068 40 .867 13 .881 1 .00 34 .43 AAAA 0

ATOM 2239 N ALA A 313 111 .860 41 .589 12 .716 1 .00 33 .03 AAAA N

ATOM 2240 CA ALA A 313 111 .913 40 .415 11 .867 1 .00 33 .07 AAAA C

ATOM 2241 CB ALA A 313 112 .760 40 .695 10 .650 1 .00 30 .74 AAAA c

ATOM 2242 C ALA A 313 112 .538 39 .311 12 .723 1 .00 32 .89 AAAA c

ATOM 2243 O ALA A 313 112 .108 38 .154 12 .687 1 .00 29 .27 AAAA 0

ATOM 2244 N ILE A 314 113 .547 39 .684 13 .505 1 .00 31 .78 AAAA N

ATOM 2245 CA ILE A 314 114 .216 38 .748 14 .394 1 .00 34 .08 AAAA C ATOM 2246 CB ILE A 314 115..419 39.,412 15,.097 1.00 32,.38 AAAA C

ATOM 2247 CG2 ILE A 314 116. ,138 38. ,399 15, .984 1. 00 29, ,20 AAAA C

ATOM 2248 CGI ILE A 314 116. ,372 40. ,000 14, ,056 1. 00 33. ,11 AAAA C

ATOM 2249 CD1 ILE A 314 117. 615 40. .630 14. ,660 1. 00 32, ,04 AAAA C

ATOM 2250 C ILE A 314 113. 204 38. ,307 15. ,455 1. 00 35. .12 AAAA C

ATOM 2251 0 ILE A 314 113. ,028 37. .110 15, ,716 1. 00 36, .00 AAAA O

ATOM 2252 N ALA A 315 112. ,537 39. ,283 16, .065 1. 00 34, .91 AAAA N

ATOM 2253 CA ALA A 315 Ill, ,538 38. ,996 17. ,092 1. 00 36. .13 AAAA C

ATOM 2254 CB ALA A 315 110. 854 40. 282 17. ,526 1. 00 31. ,14 AAAA C

ATOM 2255 C ALA A 315 110. ,508 37. .989 16. .567 1. 00 36. ,37 AAAA C

ATOM 2256 0 ALA A 315 110, .255 36, .967 17. .205 1. ,00 38. .26 AAAA O

ATOM 2257 N LEU A 316 109. .925 38. ,276 15. ,403 1. ,00 34. .38 AAAA N

ATOM 2258 CA LEU A 316 108. .935 37. ,388 14. ,783 1. 00 33. .51 AAAA C

ATOM 2259 CB LEU A 316 108. .517 37. ,927 13. .413 1. ,00 26. .41 AAAA C

ATOM 2260 CG LEU A 316 107. .742 36, ,941 12. ,543 1. ,00 30. .04 AAAA C

ATOM 2261 CD1 LEU A 316 106. ,509 36, ,456 13. ,284 1. ,00 20. .89 AAAA C

ATOM 2262 CD2 LEU A 316 107. .363 37, .599 11. .236 1, ,00 23, .53 AAAA C

ATOM 2263 C LEU A 316 109. .516 35, ,994 14. .602 1. ,00 36, .01 AAAA C

ATOM 2264 O LEU A 316 108. ,902 34. ,982 14. .949 1, .00 34, .39 AAAA O

ATOM 2265 N CYS A 317 110. ,716 35. .962 14. .047 1, ,00 38. .03 AAAA N

ATOM 2266 CA CYS A 317 111. .426 34. .721 13. .796 1, ,00 39, .95 AAAA C

ATOM 2267 CB CYS A 317 112, .788 35, .053 13. .197 1. ,00 44, .93 AAAA C

ATOM 2268 SG CYS A 317 113. .630 33, .683 12. .426 1. ,00 53, ,93 AAAA S

ATOM 2269 C CYS A 317 Ill, ,591 33, .877 15. .063 1, ,00 39. .56 AAAA C

ATOM 2270 0 CYS A 317 111. ,454 32, .667 15. .016 1, ,00 37. .55 AAAA O

ATOM 2271 N SER A 318 Ill, .870 34, .514 16, .196 1, .00 38 .38 AAAA N

ATOM 2272 CA SER A 318 112, .052 33, .781 17, .448 1. .00 35, . 96 AAAA C

ATOM 2273 CB SER A 318 112, .574 34, .714 18, .539 1, .00 35. .02 AAAA C

ATOM 2274 OG SER A 318 111, .549 35, .567 19. .034 1. .00 37, .94 AAAA O

ATOM 2275 C SER A 318 110. .780 33, .109 17, .962 1, .00 37, .94 AAAA C

ATOM 2276 o SER A 318 110 .847 32 .178 18 .777 1 .00 39 .24 AAAA O

ATOM 2277 N ARG A 319 109 .623 33 .588 17, .502 1 .00 35 .72 AAAA N

ATOM 2278 CA ARG A 319 108, .340 33, .039 17, .933 1, .00 32, .38 AAAA C

ATOM 2279 CB ARG A 319 107. .291 3 .148 18, .030 1, .00 34 .07 AAAA C

ATOM 2280 CG ARG A 319 107 .631 35 .238 19 .040 1 .00 34 .44 AAAA C

ATOM 2281 CD ARG A 319 107 .756 34 .685 20 .460 1 .00 31 .00 AAAA C

ATOM 2282 NE ARG A 319 106 .509 34 .086 20 .928 1 .00 35 .84 AAAA N

ATOM 2283 CZ ARG A 319 105 .469 34 .774 21 .386 1 .00 37 .50 AAAA C

ATOM 2284 NHl ARG A 319 105 .517 36 .095 21 .457 1 .00 41 .72 AAAA N

ATOM 2285 NH2 ARG A 319 104 .360 34 .141 21 .733 1 .00 34 .76 AAAA N

ATOM 2286 C ARG A 319 107 .861 31 .954 16 .989 1 .00 33 .54 AAAA C

ATOM 2287 0 ARG A 319 106 .862 31 .293 17 .248 1 .00 36 .39 AAAA O ATOM 2288 N LEU A 320 108..585 31..784 15,.888 1..00 35,.72 AAAA N

ATOM 2289 CA LEU A 320 108, .272 30. .762 14. .888 1. .00 33. .60 AAAA C

ATOM 2290 CB LEU A 320 108. .436 31. .323 13, .470 1, .00 33, .70 AAAA C

ATOM 2291 CG LEU A 320 107. .621 32, .573 13. .133 1, .00 37, .04 AAAA C

ATOM 2292 CD1 LEU A 320 107. .927 33. ,019 11. .712 1. .00 31, .84 AAAA C

ATOM 2293 CD2 LEU A 320 106, .135 32, .282 13, .297 1, .00 33, .10 AAAA C

ATOM 2294 C LEU A 320 109. .207 29, .562 15, .064 1, .00 34, .36 AAAA C

ATOM 2295 O LEU A 320 108. .770 28, .418 15, .015 1, .00 36, .18 AAAA 0

ATOM 2296 N LEU A 321 110. .493 29, .830 15. .270 1, .00 34, .16 AAAA N

ATOM 2297 CA LEU A 321 Ill, ,462 28, .765 15, .443 1, .00 32, .75 AAAA C

ATOM 2298 CB LEU A 321 112. .806 29, .167 14. .836 1, .00 29, .51 AAAA C

ATOM 2299 CG LEU A 321 112, ,777 29, .485 13, .331 1. .00 34. .45 AAAA C

ATOM 2300 GDI LEU A 321 114, ,195 29, .745 12. .836 1. .00 35, .12 AAAA c

ATOM 2301 CD2 LEU A 321 112. .160 28, .343 12. .543 1. ,00 34, .95 AAAA c

ATOM 2302 C LEU A 321 111. ,618 28, .415 16. .913 1. .00 34. .75 AAAA c

ATOM 2303 O LEU A 321 112. .613 28, .752 17, .545 1. .00 33. .08 AAAA O

ATOM 2304 N GLU A 322 110. .602 27, .737 17. .440 1. ,00 37, .33 AAAA N

ATOM 2305 CA GLU A 322 110, .551 27, .287 18. .828 1. ,00 38. .46 AAAA C

ATOM 2306 CB GLU A 322 109. ,273 27, .787 19. .500 1. .00 40. .71 AAAA C

ATOM 2307 CG GLU A 322 109. ,248 29. .270 19. .729 1, .00 45, .26 AAAA C

ATOM 2308 CD GLU A 322 109. ,716 29. .644 21. .121 1, .00 48, .24 AAAA C

ATOM 2309 OEl GLU A 322 110. ,465 28. .852 21, .749 1. ,00 45, .21 AAAA O

ATOM 2310 OE2 GLU A 322 109, .337 30. .744 21, ,582 1, .00 48. .22 AAAA 0

ATOM 2311 C GLU A 322 110. .537 25, .768 18, .849 1. .00 38, .74 AAAA c

ATOM 2312 O GLU A 322 110. .032 25. .130 17, .928 1. .00 40. .71 AAAA 0

ATOM 2313 N TYR A 323 111. .090 25, .181 19, .899 1. .00 40, .83 AAAA N

ATOM 2314 CA TYR A 323 111. .083 23, ,736 20. .005 1. .00 37. .35 AAAA C

ATOM 2315 CB TYR A 323 112. .014 23, .284 21, ,116 1, .00 35, .42 AAAA C

ATOM 2316 CG TYR A 323 113. .410 22, .993 20. .634 1, .00 37, .83 AAAA C

ATOM 2317 GDI TYR A 323 114, .510 23, .270 21, .437 1, .00 35, .95 AAAA c

ATOM 2318 CEl TYR A 323 115. .795 22, .978 21, .015 1. .00 39, .48 AAAA c

ATOM 2319 CD2 TYR A 323 113, .632 22, .411 19, .385 1, .00 36, .09 AAAA c

ATOM 2320 CE2 TYR A 323 114, .912 22. .115 18, .959 1, .00 38, .57 AAAA c

ATOM 2321 CZ TYR A 323 115, .988 22 .400 19, .781 1, .00 37 .47 AAAA c

ATOM 2322 OH TYR A 323 117, .264 22. .094 19, .386 1, .00 40, .13 AAAA 0

ATOM 2323 C TYR A 323 109 .669 23 .259 20 .286 1, .00 39 .86 AAAA c

ATOM 2324 O TYR A 323 109 .193 22 .320 19 .646 1 .00 43 .68 AAAA 0

ATOM 2325 N THR A 324 108 .988 23 .915 21 .224 1, .00 36 .67 AAAA N

ATOM 2326 CA THR A 324 107 .623 23 .533 21 .576 1 .00 34 .53 AAAA C

ATOM 2327 CB THR A 324 107 .168 24 .181 22 .899 1 .00 32 .37 AAAA c

ATOM 2328 OG1 THR A 324 108 .032 23 .770 23 .966 1 .00 31 .92 AAAA 0

ATOM 2329 CG2 THR A 324 105 .750 23 .749 23 .230 1 .00 28 .37 AAAA c ATOM 2330 C THR A 324 106.,614 23..911 20..491 1,,00 36.,05 AAAA C

ATOM 2331 0 THR A 324 106. ,301 25. .086 20. .297 1. ,00 38. .45 AAAA O

ATOM 2332 N PRO A 325 106. ,070 22. .904 19. .791 1. ,00 35. .96 AAAA N

ATOM 2333 CD PRO A 325 106, .268 21. .473 20. .085 1, ,00 37. .31 AAAA C

ATOM 2334 CA PRO A 325 105. ,094 23. .085 18. .716 1, ,00 35. .44 AAAA C

ATOM 2335 CB PRO A 325 104, .611 21. .664 18. .454 1, ,00 34. .17 AAAA c

ATOM 2336 CG PRO A 325 105, .799 20. .826 18. .828 1, ,00 34. .31 AAAA c

ATOM 2337 C PRO A 325 103. .941 24, .022 19. .078 1, ,00 38. .56 AAAA c

ATOM 2338 O PRO A 325 103. .613 24. .947 18. .335 1. ,00 38. .86 AAAA O

ATOM 2339 N THR A 326 103, .329 23. .770 20, .227 1, ,00 39. .12 AAAA N

ATOM 2340 CA THR A 326 102, .193 24, .560 20. ,697 1. .00 37, .13 AAAA c

ATOM 2341 CB THR A 326 101, .557 23, .900 21, .953 1. ,00 35, .42 AAAA C

ATOM 2342 OGl THR A 326 102, ,500 23, ,900 23, .035 1. .00 36, .73 AAAA O

ATOM 2343 CG2 THR A 326 101, .186 22, .463 21, ,663 1. ,00 34, .40 AAAA C

ATOM 2344 C THR A 326 102, .564 26, .011 21, ,021 1. ,00 38, ,06 AAAA C

ATOM 2345 O THR A 326 101, .679 26, .865 21, .167 1. .00 39, .03 AAAA 0

ATOM 2346 N ALA A 327 103, .867 26, .283 21, .120 1. .00 35, .74 AAAA N

ATOM 2347 CA ALA A 327 104. .363 27. .620 21. .439 1, ,00 37, .59 AAAA C

ATOM 2348 CB ALA A 327 105. .669 27, .519 22. .203 1, ,00 39, .26 AAAA C

ATOM 2349 C ALA A 327 104. .559 28, .497 20. .204 1. .00 37, ,87 AAAA C

ATOM 2350 O ALA A 327 104, .674 29, .721 20, .313 1. .00 40, ,06 AAAA O

ATOM 2351 N ARG A 328 104, .610 27, .880 19, .029 1. .00 37, .58 AAAA N

ATOM 2352 CA ARG A 328 104, .789 28, .640 17, .808 1, .00 36, .53 AAAA C

ATOM 2353 CB ARG A 328 105, .026 27, .689 16, .633 1. .00 34, .59 AAAA C

ATOM 2354 CG ARG A 328 106, .323 26. .920 16, .763 1. ,00 34, ,04 AAAA C

ATOM 2355 CD ARG A 328 106. .464 25, .781 15, .771 1. ,00 30. ,53 AAAA C

ATOM 2356 NE ARG A 328 107, .510 24. .878 16. .243 1, .00 33. .35 AAAA N

ATOM 2357 CZ ARG A 328 107 .657 23, .616 15, .859 1, .00 34, .05 AAAA C

ATOM 2358 NHl ARG A 328 106 .828 23, .086 14, .976 1, .00 30, .67 AAAA N

ATOM 2359 NH2 ARG A 328 108, .611 22. .870 16, .399 1. .00 33, .07 AAAA N

ATOM 2360 C ARG A 328 103, .552 29, .488 17, .568 1. .00 38, .49 AAAA C

ATOM 2361 O ARG A 328 102, .441 29, .091 17, .935 1, .00 41, .27 AAAA O

ATOM 2362 N LEU A 329 103 .750 30, .667 16, .982 1, .00 36, .95 AAAA N

ATOM 2363 CA LEU A 329 102 .641 31, .567 16, .661 1, .00 39 .81 AAAA C

ATOM 2364 CB LEU A 329 103 .180 32, .879 16 .073 1, .00 39 .10 AAAA C

ATOM 2365 CG LEU A 329 103 .402 34 .101 16 .971 1, .00 42 .60 AAAA C

ATOM 2366 CD1 LEU A 329 103 .971 33 .697 18 .308 1. .00 45 .46 AAAA c

ATOM 2367 CD2 LEU A 329 104 .328 35 .077 16 .269 1 .00 42 .43 AAAA c

ATOM 2368 C LEU A 329 101 .773 30 .871 15 .614 1 .00 39 .19 AAAA c

ATOM 2369 O LEU A 329 102 .263 30 .038 14 .852 1. .00 39 .74 AAAA 0

ATOM 2370 N THR A 330 100 .486 31 .184 15 .577 1 .00 38 .41 AAAA N

ATOM 2371 CA THR A 330 99, .635 30, .575 14, .567 1, .00 38 .22 AAAA C ATOM 2372 CB THR A 330 98.,170 30..518 15..009 1.,00 40,.30 AAAA C

ATOM 2373 OG1 THR A 330 97. ,653 31. .853 15. .093 1. .00 44, .02 AAAA O

ATOM 2374 CG2 THR A 330 98, .041 29. .821 16, .356 1. .00 36. .40 AAAA C

ATOM 2375 C THR A 330 99, .737 31, .504 13, ,363 1. ,00 37, ,40 AAAA C

ATOM 2376 O THR A 330 100, .102 32, ,668 13, .508 1. .00 37, .93 AAAA O

ATOM 2377 N PRO A 331 99, ,426 31. .004 12. .159 1. ,00 36. .16 AAAA N

ATOM 2378 CD PRO A 331 99. .001 29, .634 11, .814 1. ,00 32, .61 AAAA C

ATOM 2379 CA PRO A 331 99, .501 31, .847 10, .964 1. .00 32, .50 AAAA C

ATOM 2380 CB PRO A 331 98, .819 30, .991 9, .906 1, .00 35, .74 AAAA C

ATOM 2381 CG PRO A 331 99. ,203 29. .599 10. .320 1. ,00 32, .48 AAAA C

ATOM 2382 C PRO A 331 98. ,820 33. .204 11. .159 1. ,00 33. ,69 AAAA C

ATOM 2383 O PRO A 331 99. ,408 34. .244 10. .855 1. ,00 34. ,98 AAAA O

ATOM 2384 N LEU A 332 97. ,586 33. .194 11. ,665 1. ,00 32. ,51 AAAA N

ATOM 2385 CA LEU A 332 96. ,848 34. .441 11, .913 1. ,00 35. .30 AAAA C

ATOM 2386 CB LEU A 332 95. ,441 34. .160 12. .447 1, ,00 39, .49 AAAA C

ATOM 2387 CG LEU A 332 94. ,235 34. .050 11. .517 1, ,00 43, .49 AAAA C

ATOM 2388 GDI LEU A 332 92. ,984 34, .324 12. .348 1, ,00 46. .08 AAAA C

ATOM 2389 CD2 LEU A 332 94. ,322 35. .058 10. .382 1, ,00 42. .34 AAAA C

ATOM 2390 C LEU A 332 97. ,556 35, .348 12, .922 1, ,00 36. .64 AAAA C

ATOM 2391 O LEU 'A 332 97. ,665 36, .556 12, .712 1, ,00 33, .49 AAAA O

ATOM 2392 N GLU A 333 98. .005 34, .762 14, .030 1. ,00 38, .12 AAAA N

ATOM 2393 CA GLU A 333 98. .705 35, .532 15, .047 1, ,00 41, .59 AAAA C

ATOM 2394 CB GLU A 333 99. ,171 34. .628 16, .204 1. ,00 42, .46 AAAA C

ATOM 2395 CG GLU A 333 98. ,056 33. .867 16. .928 1, ,00 47, .34 AAAA C

ATOM 2396 CD GLU A 333 98. ,546 33, .096 18, .165 1. ,00 52, ,11 AAAA C

ATOM 2397 OEl GLU A 333 99. .584 32, .391 18. .086 1. ,00 52. .16 AAAA O

ATOM 2398 OE2 GLU A 333 97. .879 33, .190 19, ,223 1, .00 53. .83 AAAA O

ATOM 2399 C GLU A 333 99. .917 36, .186 14, .379 1. ,00 41, .37 AAAA C

ATOM 2400 O GLU A 333 100. .246 37, .339 14, .670 1, ,00 43, .22 AAAA O

ATOM 2401 N ALA A 334 100, ,560 35, .450 13, .472 1, .00 39, .95 AAAA N

ATOM 2402 CA ALA A 334 101, .737 35 .944 12, .773 1, .00 40, .04 AAAA C

ATOM 2403 CB ALA A 334 102. .438 34, .807 12. ,057 1, .00 38. .04 AAAA C

ATOM 2404 C ALA A 334 101, .378 37 .045 11 .788 1 .00 39 . 61 AAAA C

ATOM 2405 O ALA A 334 102. .133 38 .002 11 .617 1 .00 39 .38 AAAA O

ATOM 2406 N CYS A 335 100 .240 36 .912 11 .121 1 .00 37 .10 AAAA N

ATOM 2407 CA CYS A 335 99 .832 37 .947 10 .190 1 .00 39 .25 AAAA C

ATOM 2408 CB CYS A 335 98 .532 37 .574 9 .506 1 .00 38 .86 AAAA C

ATOM 2409 SG CYS A 335 98 .763 36 .547 8 .098 1 .00 43 .80 AAAA S

ATOM 2410 C CYS A 335 99 .620 39 .232 10 .969 1 .00 39 .78 AAAA C

ATOM 2411 O CYS A 335 99 .865 40 .326 10 .462 1 .00 41 .78 AAAA O

ATOM 2412 N ALA A 336 99 .162 39 .089 12 .209 1 .00 38 .21 AAAA N

ATOM 2413 CA ALA A 336 98 .899 40 .230 13 .075 1 .00 38 .74 AAAA C ATOM 2414 CB ALA A 336 97..797 39..873 14..055 1.,00 36..75 AAAA C

ATOM 2415 C ALA A 336 100, .130 40. .723 13. .844 1. ,00 40. .44 AAAA C

ATOM 2416 O ALA A 336 100, .021 41. .590 14. ,706 1. ,00 43. ,25 AAAA O

ATOM 2417 N HIS A 337 101, .300 40. ,183 13. .525 1. ,00 42, .26 AAAA N

ATOM 2418 CA HIS A 337 102, .527 40, ,559 14. .216 1, ,00 43. .43 AAAA C

ATOM 2419 CB HIS A 337 103, .612 39. .512 13. .920 1, ,00 40, .43 AAAA C

ATOM 2420 CG HIS A 337 104, ,845 39, ,663 14. ,752 1. 00 39. ,53 AAAA C

ATOM 2421 CD2 HIS A 337 105. ,171 39. ,151 15. ,961 1. 00 39. ,45 AAAA C

ATOM 2422 NDl HIS A 337 105. ,915 40, ,443 14. .365 1. ,00 37. ,36 AAAA N

ATOM 2423 CEl HIS A 337 106. .847 40, ,405 15. ,300 1. ,00 36. .52 AAAA C

ATOM 2424 NE2 HIS A 337 106. .421 39. ,628 16. ,279 1. 00 36. ,88 AAAA N

ATOM 2425 C HIS A 337 103. .003 41. ,968 13. ,856 1. ,00 42. ,15 AAAA C

ATOM 2426 O HIS A 337 102, .816 42, .437 12. .733 1, ,00 45, ,20 AAAA O

ATOM 2427 N SER A 338 103, .621 42, .630 14. .829 1. .00 42, .70 AAAA N

ATOM 2428 CA SER A 338 104. .136 43. .993 14. .681 1, ,00 43. .78 AAAA C

ATOM 2429 CB SER A 338 104. .893 44, .379 15. ,949 1. ,00 42. .94 AAAA C

ATOM 2430 OG SER A 338 104. .361 43. .689 17. ,069 1, ,00 55, ,56 AAAA O

ATOM 2431 C SER A 338 105. .051 44, .207 13. .476 1. ,00 43, .85 AAAA C

ATOM 2432 O SER A 338 105. .227 45. .328 13. .011 1. ,00 46, .87 AAAA O

ATOM 2433 N PHE A 339 105. .647 43, ,132 12. .987 1. ,00 44. .32 AAAA N

ATOM 2434 CA PHE A 339 106, ,555 43. .191 11. .845 1. ,00 43, .69 AAAA C

ATOM 2435 CB PHE A 339 107 .249 41, .830 11, .697 1, .00 41 .66 AAAA C

ATOM 2436 CG PHE A 339 108, .096 41, .693 10, .461 1. .00 37, .77 AAAA C

ATOM 2437 GDI PHE A 339 109, .201 42, .511 10, .255 1, .00 33, .51 AAAA C

ATOM 2438 CD2 PHE A 339 107, .793 40, .722 9, ,506 1. .00 39, .57 AAAA C

ATOM 2439 CEl PHE A 339 109, .995 42, .365 9, ,118 1, .00 31, .87 AAAA C

ATOM 2440 CE2 PHE A 339 108, .580 40, .567 8. .364 1, .00 37, .18 AAAA C

ATOM 2441 CZ PHE A 339 109, .682 41, .391 8. .171 1, .00 38, .83 AAAA C

ATOM 2442 C PHE A 339 105 .802 43 .552 10, .570 1, .00 42 .78 AAAA C

ATOM 2443 O PHE A 339 106 .365 44 .122 9, .629 1, .00 41 .23 AAAA O

ATOM 2444 N PHE A 340 104 .515 43 .235 10, .552 1, .00 42 .82 AAAA N

ATOM 2445 CA PHE A 340 103 .694 43 .512 9 .386 1 .00 44 .55 AAAA C

ATOM 2446 CB PHE A 340 102 .743 42 .331 9 .138 1 .00 41 .65 AAAA C

ATOM 2447 CG PHE A 340 103 .452 41 .038 8 .839 1 .00 40 .76 AAAA C

ATOM 2448 CD1 PHE A 340 104 .379 40 .963 7 .797 1 .00 38 .47 AAAA C

ATOM 2449 CD2 PHE A 340 103 .235 39 .914 9 .625 1 .00 36 .33 AAAA C

ATOM 2450 CEl PHE A 340 105 .082 39 .789 7 .548 1 .00 36 .54 AAAA C

ATOM 2451 CE2 PHE A 340 103 .933 38 .739 9 .382 1 .00 37 .93 AAAA C

ATOM 2452 CZ PHE A 340 104 .861 38 .677 8 .342 1 .00 36 .75 AAAA C

ATOM 2453 C PHE A 340 102 .902 44 .815 9 .491 1 .00 43 .34 AAAA C

ATOM 2454 O PHE A 340 102 .119 45 .140 8 .602 1 .00 42 .78 AAAA O

ATOM 2455 N ASP A 341 103 .114 45 .569 10 .564 1 .00 46 .33 AAAA N

CO DO to to DO DO DO to DO to DO DO CO CO to CO CO CO to to CO CO to DO to CO CO O to to to CO to CO CO CO CO CO CO CO CO

Φ- φ. φ. φ. rf_* rf* Φ- Φ- φ. Φ. Φ- Φ- Φ- φ. φ. Φ- rf_* Φ- rf* rf_* rf* φ. Φ- φ. rf_* φ. φ- φ. Φ- Φ- φ- φ. φ- φ- φ- φ- φ- Φ. Φ- Φ- Φ- Φ

VD VD VD VD VD VO VO VD 00 03 03 03 00 CO 03 03 03 00 v] v] va v] v] va v] v] va a en CΛ cn cn cn CΛ cn cn cn cn in LΠ LΠ L

-O cn m φ. OJ DO H> o VD 03 va CΛ Lπ φ- LO CO H o VD CO v] σ. in rf_* OJ CO H o vo CO va CΛ in φ. CO CO ι-> o vo 00 vj C

fc fc fc fc fc fc fc tr* tr* X tr* t* X X Ω Ω Ω

[ Ω Ω Ω c fc fc fc fc fc fc CQ cn cn CQ ω cn cn 5 to CO CO CO CO CO CO O tr* tr* X t* t* Ω Ω f X tr* tr* cn cn cn cn cn cn cn 13 13 13 13 13 13 13 8 Ω Ω Ω Ω Ω i Ωs Ω i 6s1 Ω Ω Ω G G G G G G G G G X G G G G G G G 13 13 13 13 13 13 13 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

10 00 LO 00 10 00 LO 00 OJ OJ oo OJ 00 00 00 OJ 00 00 LO 00 00 0J OJ OJ OJ OJ OJ LO 00 00 00 00 LO oo 00 LO 00 LO 00 00 00 L φ. φ. Φ> φ- rf_* φ. Φ> Φ- Φ- φ. φ. φ. Φ> rf* Φ. φ. φ. Φ- rf_* rf_* Φ- φ. Φ- rf* rf_* φ. φ. φ. φ. φ. φ. φ. φ. Φ- Φ- φ. φ. Φ- φ. φ- φ. Φ in in in in in in in Φ- φ. φ- φ. Φ> Φ- rf_* Φ. φ- Φ- φ. 00 00 OJ 00 OJ OJ 00 00 CO to to O CO CO DO O CO H^» H- H H H> H

H H> H* H H H H H- H H H H H H H H H H H H H H H H* H H

VD o O O O o VD VO vo o VD VO VD vo VD vo vo VD vo O o o O O o o o O O o O o o o O o o o O O o o CO o CO H- vo VD v] 00 o 03 VD CO vl va 03 03 VD vo o 00 CO CO H to va va CΛ in in 0J LO H to CO CO to

VO 00 O O in in 00 φ. 00 vo to in 00 cn Hⁱ in 03 H Φ- in 00 in LΠ rf* LΠ 00 vl H VO rf* CO v] CΛ φ. φ. φ. va 00 vo CO o v] O H in o VD oo CO rf* VD φ. 00 in 03 LO in rf* φ. co oo φ. Φ- cn oo vo v] in vo H- v] Φ. CO LO φ. in in vo in 00 VD CΛ 03 00 LΠ in vj o vo φ. o en 00 03 va va LO VD VD Φ- in CO in in vo vo H φ- O oo in co O va va CO LΠ 00 in m LΠ in in in LΠ in φ. φ. φ. φ. φ- φ. φ. φ. Φ- Φ- φ- φ. φ. Φ. Φ- φ. Φ- φ. rf* φ. φ. φ. φ. Φ- Φ- Φ. φ. φ. Φ- Φ- φ. rf* Φ- Φ- φ-

H- Φ- LO oo H o VD vo φ. oo φ- in LΠ in v] v] vl v] va φ. CO φ- in cn VD 00 CO VD VD vo 03 00 v] 00 v] CΛ v] en v

H 03 φ. VO Φ- o VO H t LO φ. vo OJ co LO CO o 00 00 CO o in o o to in σ. H> LO cn cn oo O v3 o LO VD in o 00 CΛ H vo φ. m in in o v φ- cn vl CO vo o 03 φ. vl H- 03 cn 00 DO cn H oo en to VD CO vo rf* in Φ- to v3 O φ. in Ln o H- cn vn vj φ- CΛ LO H to en vn o cn H φ. o Φ- CO CO vj v] v] LO CO vo O oo CO o CΛ H¹ 00 CO o

H H H H H> H H H H in cn CΛ en cn CΛ en v] v] o H o o 00 00 -3 cn φ. in 00 φ- LΠ in in CΛ m σi cn φ. in LΠ v] 00 VD vo LO rf* oo to o

Φ- 00 CΛ CΛ CO v 00 CΛ 00 v] CO o VD H- v va 00 VD v] cn CO VD o Φ- in cn in H> LO φ. vo vj vo H- in CO 00 DO o vl

LO vo 00 H m v] oo φ. o LO vj o 00 00 cn Φ- Φ- in en o H- OJ vl cn rf* CO cn cn o 00 LO DO CO OJ CO VD VD o in Φ> O CΛ O LΠ cn 03 CO VD LΠ o O 00 vl VD CΛ cn 00 H v] VD CΛ o O LΠ Φ- Φ- in o O o 00 03 φ- 03

H- H H H H H H> H> H- H H H H l-ⁱ H- H¹ H H H H H H- H- H H H H H" H- H H- H> H H H H H> H H> H H o O O O o o o o o o o o o o o O O o o o o o o o O o o o o O o o o o O o O O O o o

O O O o o o o o o o o o o o o o O o o o o o O o o O O o o o O o o O o O o O O O o o in CΛ CΛ Lπ in in Φ- φ- φ- rf* φ- φ- φ- φ. φ. φ. φ. Φ- φ- Φ. φ- φ- Φ- Φ- rf* Φ- Φ> Φ. in in in φ- Φ. Φ- Φ. Φ- Φ- rf* rf* Φ- φ. φ- in H CO 00 Φ- to 03 cn vl in CO 00 v] 00 CΛ v] in in in en o OJ J cn Φ- VO cn to Φ- to σi Φ. in CΛ OJ CΛ LO 00 o to

CO CO LO φ. φ- o CO 00 H o vo o CO en vi en vo O 00 Φ. σ o 00 00 in in O o φ. H in 00 OJ H o 00 in v3 v] v VD o H> in H> Φ- o o v] CO o 03 VD 00 Φ. I-¹ Φ- vl v 00 oo va o v] vo φ. vo va OJ oo vl va o H O vl DO H

Ω d d Ω Ω Ω -3 d Ω S3 -3 Ω ≥! Ω Ω Ω Ω -3 d O Ω Ω Ω Ω Ω -3 d Ω d d Ω Ω Ω Ω S3 d Ω O O Ω Ω Ω

fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc c fc fc fc fc f fc fc fc fc fc fc fc t-3 t-3 Hi t-3 H t-3 H H Hi HI t-3 H Hi H Hi 1-3 t-3 H 1--3, f

1-3 t-3 H Hi δ fc c f c fc fc

HI HI δ f c fc

H t-3 HI 1-3 δ H δ H HI H t-3 1-3 ι-3 t-3 t-3 HI t-3 t-3 HI

O d d d d d d d d d d d d d d d d d d d d Ω d d d d d d d d d d d d Q 0 O d d O

2 3 2 3 3 2 2 2 3 2 3 2 2 2 2 3 3 2 2 2 2 2 2 2 O

3 3 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 O to O CO CO CO CO CO CO to to to O CO to CO to CO O DO to to DO DO O DO CO CO CO t O CO to O CO to to CO CO CO to to

LΠ LΠ in LΠ in in in in in LΠ in LΠ in in in in in in LΠ LΠ iπ LΠ LΠ in in in in in m LΠ in LΠ LΠ in in in in in LΠ rf* Φ.

00 LO LO L co 00 00 00 00 O to CO to CO CO CO CO CO CO H> W H> H H H H H H H 0 0 0 0 0 0 0 0 0 0 vo VD vo 00 v] en LΠ φ. 00 to H> 0 vo 00 vl cn in Φ- 00 CO H 0 vo CO vl CΛ in Φ. LO t H> 0 vo 00 vj en LΠ Φ- LO to H> 0 vo CO

Ω S3 d Ω Ω Ω Ω Ω Ω S3 d Ω S3 Ω Ω Ω Ω Q S3 d Ω Ω Ω Ω Ω S3 d Ω g α d Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 O

X O Ω 03 fc N CO O Ω 03 fc Ω Ω 03 fc 61 to H H CO fc 61 03 fc α 3 13 tr* tr* tr* tr* t* X tr* tr* tr* tr* X -ι tr* tr* X X t* i κ| < < < < fc fc f fc fc fc

Ki c fc fc 13 13 X 13 13 13 13 fc δ X CO to M to to X CO CO K Kj Ki Ki Ki Ki f cn cn cn cn CQ cn CQ cn X X X to X to X CQ

0 O G G G G G G G G cn CQ cn cn cn Cn cn cn c c

CQ ?t f tr* t* B fc fc

Cr* tr* S3 X SS S3 S3 S3 S3 S3 O O O O O d O X fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

OJ LO OJ OJ OJ OJ J 00 00 00 00 OJ 00 00 OJ LO 00 OJ LO 10 00 CO LO 00 00 CO LO OJ LO OJ 00 00 OJ 0J LO 00 00 LO 00 0J 00 LO in Lπ in in in in LΠ LΠ on in φ. Φ- φ- Φ. Φ- Φ- rf* Φ- Φ- Φ> φ. φ- Φ- Φ- Φ. φ- Φ- Φ- Φ- Φ- Φ- φ. rf* Φ- φ. rf_* Φ- φ. φ. φ. φ. φ.

H H 0 0 0 0 0 0 0 0 vo VD VD VD VD VD vo VD VD 03 CO CO 00 03 CO 00 vl v3 vl l v va v] CΛ en CΛ cn cn CΛ CΛ in

H> H> H¹ H" H¹ H H H H- H H H H H» H> H" H H> H H H¹ H H to O O O 0 0 O 0 O O o O O 0 0 0 0 O 0 0 0 0 VD 0 O O VD vo VD VD vo VD vo

03 03 en en co Φ> on LΠ in

LO φ. CO 10 00 00 0 00 σ DO DO H- H¹ H VD 0 H O D vj 00 en en vj 03 vo l-> φ. O va cn 00 to cn O Φ- CO Φ- vj H 00 CO H vo O 00 H CO LO φ. O cn φ- 0J H H DO 00 H Φ- 00 LΠ 0 O 03 rf* CO L vo 03 03 Φ- VD LΠ φ. in O 0 00 OJ en va σ 0J cn 03 03 03 i φ- O VD 03 φ- -O DO 0 H¹ in to 0 va 0 VD to 00 00 CO vo v] O en φ. H¹ H CO vl en σi v] O 0 vl Φ- cn LΠ H CΛ o v] cn rf* Φ- vj φ. rf* li* Φ- Φ. Φ- φ. φ. rf* in in LΠ on LΠ in in LΠ Φ- in LΠ in LΠ LΠ in LΠ in in LΠ LΠ LΠ in in

03 VO CΛ en CO 00 VD 0 0 Φ- Φ. 0J to H H o 0 00 Φ. φ- CΛ v] en rf* J Φ. Φ. 00 OJ CO M rf* VO O 0 VD CO 00 rf* to LO 0J in in LΠ v] v] CO 0 0 O VD 00 0 H 00 vo 0 Φ- m 00 LO a cn 0 Φ- φ. 03 O vo LΠ 0J 00 cn v CO o VD to -0 LO vl Φ- cn 00 0 VD φ. 03 vo CO D 0 m vl CO CΛ VD 0J o 00 in LΠ CO 0 H Φ- VD 00 en CΛ H> 00 OJ to H CΛ to φ. CO 00 O in 00 Φ- D H> VD 03

1 1 1 1 1 1 1 1 1 1 1 1 10 LO φ. φ. 00 00 H rf* 00 00 DO CO 0 0 0 to DO to H- CO 0 H Lπ 00 Φ- 00 to OJ H 10 CΛ Φ. φ. cn LΠ rf_*

VD 00 ^vj Φ. CΛ LΠ H H H 00 in vj OJ H ω DO 00 00 cn vl φ. vj H¹ in rf* VD H DO CO φ. 00 cn LΠ 03 ~a φ. D Φ. CO H VD 00 LΠ to CO 00 LΠ LΠ to φ. vl in 00 cn H 03 en LO LO cn φ. vo o LΠ en Φ- φ. CΛ in vo 00 H -J φ. CO 0 vo VD 00 CO Φ- 0J 00 VD 0 00 CO H O 00 LΠ

H H H H H H> H H H H H H H H H H> t-> H H H H H H H H¹ H H> H H H H- H H H H H H> H H H¹ H¹

0 0 0 0 0 0 O σ O O O 0 0 0 O 0 O O 0 0 O O 0 0 0 O O 0 0 0 0 0 O 0 0 0 O O O 0 0 0 O 0 O O 0 0 O O 0 0 0 O O 0 v3 en in LΠ cn cn cn CΛ en v] ^•vl vl CΛ cn cn σi cn in LΠ en cn cn cn cn cn cn cn cn cn cn cn cn CΛ cn LΠ in Φ. H 00 vo 0 00 LΠ φ- LΠ in to 00 in 00 to 00 VD 00 H in 00 VD 03 vo vl m H H" VD vo -j rf*

0 CΛ 00 00 0 va VD 00 0 CΛ 00 -0 0J vo 0 o vl oo --a 00 00 VD Φ- VD 00 0 00 CO 00 LΠ H vo

H H en vo 03 CO cn H^> VD 0 CO VD CO OJ φ. vl in H 00 v3 φ. 1 00 VD in 00 CΛ to O 03 in rf*

ATOM 2540 CA PRO A 351 109..202 50..272 -4,.241 1,.00 74,.28 AAAA C

ATOM 2541 CB PRO A 351 110. ,362 49. .287 -4. .115 1. ,00 73. .72 AAAA C

ATOM 2542 CG PRO A 351 109, .950 48. .451 -2. .965 1. .00 74, .88 AAAA C

ATOM 2543 C PRO A 351 109, .073 50. ,835 -5. .663 1. ,00 75. .60 AAAA C

ATOM 2544 O PRO A 351 109, .842 51, ,710 -6, .078 1. ,00 74. .08 AAAA O

ATOM 2545 N ASN A 352 108. .093 50, ,318 -6, .398 1, ,00 77, .28 AAAA N

ATOM 2546 CA ASN A 352 107. .840 50. ,742 -7, .767 1. ,00 79. .11 AAAA C

ATOM 2547 CB ASN A 352 107, .895 49. .524 -8, .703 1, ,00 82, .36 AAAA C

ATOM 2548 CG ASN A 352 106, .793 48, .511 -8, .422 1, .00 85, .82 AAAA C

ATOM 2549 ODl ASN A 352 106. .441 48, ,263 -7. .269 1. ,00 88. .07 AAAA O

ATOM 2550 ND2 ASN A 352 106. .257 47, .907 -9, .481 1. ,00 85. .74 AAAA N

ATOM 2551 C ASN A 352 106. .490 51. ,457 -7. .898 1, .00 78. .39 AAAA C

ATOM 2552 O ASN A 352 105. ,786 51. ,286 -8, ,894 1. ,00 77. ,58 AAAA O

ATOM 2553 N GLY A 353 106, .137 52. ,249 -6. .886 1. ,00 76. .77 AAAA N

ATOM 2554 CA GLY A 353 104, .885 52. .993 -6, .903 1. .00 75, .99 AAAA C

ATOM 2555 C GLY A 353 103. .582 52. .202 -6, ,969 1. ,00 77. .55 AAAA C

ATOM 2556 O GLY A 353 102. .516 52, .736 -6. .638 1. ,00 76. .24 AAAA O

ATOM 2557 N ARG A 354 103. ,658 50. .941 -7. .393 1. ,00 79. ,16 AAAA N

ATOM 2558 CA ARG A 354 102. ,481 50. ,078 -7, .511 1. ,00 79. .61 AAAA C

ATOM 2559 CB ARG A 354 102. .876 48. .711 -8. .083 1. ,00 83. .44 AAAA C

ATOM 2560 CG ARG A 354 103, .546 48. .753 -9, .447 1. .00 89. ,26 AAAA C

ATOM 2561 CD ARG A 354 102. .557 49, .028 -10, .565 1. ,00 92. .47 AAAA C

ATOM 2562 NE ARG A 354 101, .629 47. .917 -10, .766 1. ,00 96. .01 AAAA N

ATOM 2563 CZ ARG A 354 100, .680 47, .898 -11. .699 1. ,00 97. .60 AAAA C

ATOM 2564 NHl ARG A 354 100, .532 48, .933 -12, .519 1. ,00 98, .33 AAAA N

ATOM 2565 NH2 ARG A 354 99, .878 46, .845 -11, .818 1. ,00 97, .01 AAAA N

ATOM 2566 C ARG A 354 101, .792 49, .855 -6, .170 1. .00 78, .94 AAAA C

ATOM 2567 0 ARG A 354 102, .376 50, .075 -5, .107 1, .00 78. .55 AAAA O

ATOM 2568 N ASP A 355 100, .544 49, .409 -6. .231 1. ,00 78. .11 AAAA N

ATOM 2569 CA ASP A 355 99 .775 49, .126 -5, .031 1. ,00 76, .48 AAAA C

ATOM 2570 CB ASP A 355 98 .280 49 .159 -5 .332 1. .00 78, .27 AAAA C

ATOM 2571 CG ASP A 355 97, .740 50, .556 -5, .416 1, ,00 81. .39 AAAA C

ATOM 2572 ODl ASP A 355 97 .887 51, .296 -4, .421 1, ,00 82, .92 AAAA O

ATOM 2573 OD2 ASP A 355 97 .168 50, .912 -6, .469 1. ,00 82. .76 AAAA O

ATOM 2574 C ASP A 355 100, .122 47, .748 -4. .502 1, ,00 74. .67 AAAA C

ATOM 2575 O ASP A 355 100 .633 46 .892 -5 .232 1, .00 74 .57 AAAA O

ATOM 2576 N THR A 356 99 .836 47. .537 -3, .225 1, .00 71, .60 AAAA N

ATOM 2577 CA THR A 356 100 .082 46 .250 -2 .599 1, .00 69, .39 AAAA C

ATOM 2578 CB THR A 356 100 .246 46 .394 -1 .074 1, .00 69 .10 AAAA C

ATOM 2579 OG1 THR A 356 99 .053 46 .955 -0, .510 1. .00 68, .44 AAAA O

ATOM 2580 CG2 THR A 356 101 .411 47 .298 -0 .756 1. .00 68 .92 AAAA C

ATOM 2581 C THR A 356 98 .874 45 .355 -2 .880 1. .00 67, .91 AAAA C

CO to CO O CO to DO CO O CO CO CO CO CO CO CO to to to CO to CO O to CO to DO DO O CO to CO O to to to CO CO CO CO CO CO CΛ en CΛ cn CΛ cn CΛ cn CΛ CΛ CΛ CΛ CΛ CΛ en CΛ cn cn CΛ CΛ CΛ cn cn cn in in LΠ LΠ in in Lπ LΠ in in in w LΠ in in in in Lπ O CO to CO H H> H¹ w H H¹ H I-¹ o o o o O o O o o o vo vo VD vo vo vo VD vo vo vo co CO CO CO co co CO 00 00 CO H o VD 00 va CΛ in φ. LO CO H¹ O vo 00 vl CΛ in Φ> LO CO H> o o CO vl cn LΠ φ. 00 to H o vo 00 -a en m Φ- 00 CO

13 13 fc fc fc fc fc fc fc fc 13 13 13 13 13 13 13 13 13 X 13 tr* X X tr* X tr* tr* tr* cf fc 13 X 13 13 X 13 13 HI ffi ffi cn CQ cn cn cn cn cn cn ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi O CO CO CO to CO O CO X X fi CO CO SS S3 S3 X S3 S3 X S3 CO CO CO CO CO CO CO to CO CO CO G G G G G G G G O O g X X to d o f to fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc ϊ g fc fc fc ϊ fc fc fc fc fc fc fc fc fc fc

00 00 LO OJ 00 OJ 00 oo LO 00 OJ oo 00 oo 00 00 0J LO oo OJ OJ oo 00 oo OJ OJ oo CO 00 00 oo OJ OJ oo oo LO 00 LO 00 CO oo 00 CΛ CΛ CΛ cn σ. cn cn CΛ CΛ CΛ CΛ CΛ cn CΛ cn cn cn CΛ CΛ CΛ cn in in LΠ in in LΠ LΠ iπ in in in LΠ Lπ in in in in LΠ LΠ in in CO to H H¹ H H> H- H H o o o O o o o o o O o VD vo vo o vo vo vo vo 00 CO oo CO 00 v v3 va v] v] v] en

CO vo 00 oo VD vo VD vo vo vo vo VD vo VD VD VD VD VD vo VD VD VO o vo VD o vo VD H CO H> o o o en cn Lπ φ. rf* LO CO to OJ in

vo

CO o cn VD O φ. OJ H H> OJ in φ. L0 o φ. 00 CO VO cn 03 00 CO vo vo OJ 00 H o rf* vl LO en 03 03 o VD VO cn o φ. H v] vl LO 03 to o en en o to CO Φ. VD v] CΛ v] in vl LΠ CO Φ- CO in VD H¹ φ. o rf* H- LΠ CΛ 00 vl H vo -4 Φ- VO 03 o o H LO CO m LO vo vo vo v3 v3 -o in vl O φ. in φ. VD en LΠ to in 03 o LΠ 00 CO OJ VD v] VD H vl rf* 00 in DO CO VO CO H¹ H¹ o O

OJ OJ 0J oo 00 00 OJ rf* φ. φ. φ- Φ- Φ- Φ- φ. rf* rf* rf* rf* Φ- φ. φ. φ- φ. φ, φ. rf* φ- φ. φ. φ. φ. φ. φ. Φ- Φ- rf* φ- φ- φ. φ. Φ- vl VD 03 vo CO VD vo o o H H H in in Φ- in rf* oo O CO H H φ. L0 DO H DO o H H to DO LO OJ CO H 0J L φ. in vo H> H> H vo VD v3 oo LΠ H VD v] VD H o Φ- 00 m v3 0J φ- H> 00 03 o H 00 VD in in vl in 00 φ. VD CO H -a H LJ o 00 φ. 00 en 03 o CO O vl 00 φ. O 03 00 o cn H v] LO Φ- cn OJ CO CO in o in vj vl o in LO O in O v] H L0 ID 01 00 CΛ H φ. H LO v] H en in rf* VD LΠ CΛ Φ- en CΛ VD Φ- in LΠ H> φ. CΛ o in L0 -0 -0. CΛ vo O CΛ H vl O CO Φ* CO in 00 cn

1 1 1 1 1 1 1 1 1 1 1 1 φ. rf_* to CO o o o o CO CO φ. LO φ. in CO in oo φ> Φ- Φ- to φ. oo H t H to to o o O to H DO H CO rf* 00 00 LO LO CO

VD H CO 03 vo CΛ CΛ H LΠ φ. v] CΛ v] en -o cn CΛ cn o VD H H H DO in in o 00 CO CO O Lπ Φ- LO OJ o on φ. LO CO Φ- 03 H cn LO o o Φ- CΛ CΛ VO H> en 00 o Φ- CO 00 v] cn VD 00 in H 00 03 in in DO φ. rf* φ. H- VO v] φ. 03 o φ. oo en m VD VD rf* DO 03 VD φ- H> O CO CO CO o DO 00 H H- VD -0 Φ- 00 VD vl in en 00 H 0J 00 CO vo m J CΛ in H cn CO o H> cn oo

H H H H H¹ H H H H H> H H H H H H H> H H H H H H H H w H H H H H> H> H- H H- H> H H" H H¹ H H o O O o o o o o o o O O o O o o o o O o o o o o o o o o o o O O O O o o o o O O o o o o o o o O O o O o o o o o o o O o o O o O o o CD o o o o o O O O O o σ o o o O o o in in in Lπ in en in LΠ in LΠ in LΠ in m in in in in φ- φ. φ. in φ. φ. φ. rf* rf* φ. in in Lπ LΠ in cn cn cn cn CΛ CΛ CΛ cn cn vo v] vo v] in o co CΛ in oo CO CO OJ CO OJ o o H vo vo vo o VO OJ CΛ CO CΛ VD CO co cn 00 CO o o o rf* CO CO m in vo in LΠ vl in o LΠ va CO in O H O CD H OJ rf* rf* oo in φ. 0J LO φ. OJ LO CD H DO rf* in CO DO O H LO 03 va CO rf* O 10 φ. rf* vo in vl 00 VD Φ- H H φ- φ. vo φ. vl H H> cn CO H 0J LO VO VD o H o 00 0J VD v] en φ. vo vl vl 00 va φ- LΠ φ. Φ- H

Ω S3 d Ω -3 d Ω Ω Ω -3 d Ω Ω Ω Ω Ω Ω Ω Ω Ω -3 d Ω Ω Ω Ω Ω Ω ≥! d Ω Ω Ω -3 d Ω Ω Ω Ω Ω -3 d

ATOM 2624 CB PHE A 362 90.,314 38.,132 6.,410 1.,00 57..99 AAAA C

ATOM 2625 CG PHE A 362 91, .787 38. .402 6, ,580 1. ,00 56. .21 AAAA C

ATOM 2626 CD1 PHE A 362 92, ,293 39. ,686 6, .450 1. 00 54, ,40 AAAA C

ATOM 2627 CD2 PHE A 362 92. ,668 37. ,363 6. ,867 1. 00 52. 83 AAAA C

ATOM 2628 CEl PHE A 362 93. ,656 39, .931 6, ,605 1. ,00 56, .19 AAAA C

ATOM 2629 CE2 PHE A 362 94, ,031 37. ,599 7. ,022 1. ,00 52, ,93 AAAA C

ATOM 2630 CZ PHE A 362 94. .525 38. .884 6, ,891 1, ,00 55, ,22 AAAA C

ATOM 2631 C PHE A 362 88. ,433 37. ,420 4, .933 1. 00 60. ,10 AAAA C

ATOM 2632 O PHE A 362 87. .472 38, ,186 4. .982 1. ,00 59. .90 AAAA O

ATOM 2633 N THR A 363 88. .297 36. .101 4, ,867 1. ,00 61. .25 AAAA N

ATOM 2634 CA THR A 363 86. .984 35. ,474 4. ,866 1. ,00 59. ,94 AAAA C

ATOM 2635 CB THR A 363 86. .890 34. .358 3, ,800 1. ,00 59. ,47 AAAA C

ATOM 2636 OG1 THR A 363 87. .838 33, .318 4. ,088 1. ,00 61, ,01 AAAA O

ATOM 2637 CG2 THR A 363 87, .182 34. .931 2. .428 1. .00 59. ,41 AAAA C

ATOM 2638 C THR A 363 86. .733 34. .873 6. .240 1. ,00 60, ,06 AAAA C

ATOM 2639 O THR A 363 87. .636 34, ,814 7. .077 1. .00 60, .72 AAAA O

ATOM 2640 N THR A 364 85, .501 34, ,440 6. .472 1. .00 59, .03 AAAA N

ATOM 2641 CA THR A 364 85, .135 33, ,837 7, .741 1. .00 58. .43 AAAA C

ATOM 2642 CB THR A 364 83. .662 33, ,421 7, .730 1. ,00 58, .25 AAAA C

ATOM 2643 OG1 THR A 364 82. .848 34. .600 7. ,689 1. ,00 59, .36 AAAA O

ATOM 2644 CG2 THR A 364 83. .320 32, .583 8. .965 1. ,00 57. ,46 AAAA C

ATOM 2645 C THR A 364 85. .999 32, .611 7. .969 1. ,00 58. .30 AAAA C

ATOM 2646 O THR A 364 86. .552 32, .414 9. .050 1. ,00 60, .02 AAAA O

ATOM 2647 N GLN A 365 86. .100 31. ,792 6. .929 1. ,00 57, .25 AAAA N

ATOM 2648 CA GLN A 365 86. .893 30, .568 6. .947 1. .00 57. .27 AAAA C

ATOM 2649 CB GLN A 365 86, .957 30, .018 5. ,519 1. .00 58, .02 AAAA C

ATOM 2650 CG GLN A 365 87, .894 28, .841 5, .301 1. .00 62. .33 AAAA C

ATOM 2651 CD GLN A 365 87, .343 27 .551 5, .853 1. .00 62, .80 AAAA C

ATOM 2652 OEl GLN A 365 86 .147 27 .292 5, .757 1. .00 67, .89 AAAA O

ATOM 2653 NE2 GLN A 365 88 .212 26 .723 6. .416 1, .00 63, .64 AAAA N

ATOM 2654 C GLN A 365 88 .305 30 .869 7 .454 1, .00 56, .06 AAAA C

ATOM 2655 O GLN A 365 88 .803 30 .269 8 .404 1 .00 53 .05 AAAA O

ATOM 2656 N GLU A 366 88 .927 31 .827 6 .790 1, .00 55, .84 AAAA N

ATOM 2657 CA GLU A 366 90 .275 32 .270 7 .072 1, .00 57 .40 AAAA C

ATOM 2658 CB GLU A 366 90 .613 33 .332 6, .035 1, .00 58, .74 AAAA C

ATOM 2659 CG GLU A 366 92 .031 33 .799 5. .998 1, .00 60, .83 AAAA C

ATOM 2660 CD GLU A 366 92 .264 34 .700 4 .810 1 .00 63 .85 AAAA C

ATOM 2661 OEl GLU A 366 93 .404 35 .180 4 .648 1 .00 63 .53 AAAA O

ATOM 2662 OE2 GLU A 366 91 .297 34 .921 4 .038 1 .00 69 .17 AAAA O

ATOM 2663 C GLU A 366 90 .478 32 .813 8 .492 1 .00 58 .00 AAAA C

ATOM 2664 O GLU A 366 91 .564 32 .698 9 .059 1 .00 56 .03 AAAA O

ATOM 2665 N LEU A 367 89 .429 33 .401 9 .060 1 .00 57 .72 AAAA N ATOM 2666 CA LEU A 367 89.486 33,990 10.400 1.,00 57..74 AAAA C

ATOM 2667 CB LEU A 367 88.664 35.283 10.425 1. ,00 56. .98 AAAA C

ATOM 2668 CG LEU A 367 89.256 36.493 9.702 1. .00 56, .41 AAAA C

ATOM 2669 CD1 LEU A 367 88.165 37.281 9.020 1. 00 56. ,58 AAAA C

ATOM 2670 CD2 LEU A 367 90.002 37.354 10.698 1. ,00 55, .72 AAAA C

ATOM 2671 C LEU A 367 88.985 33.077 11.513 1. ,00 59. ,58 AAAA C

ATOM 2672 O LEU A 367 89.177 33.371 12.694 1. .00 60. ,73 AAAA O

ATOM 2673 N SER A 368 88.347 31.975 11.131 1. ,00 60. ,96 AAAA N

ATOM 2674 CA SER A 368 87.764 31.027 12.078 1. ,00 62. ,02 AAAA C

ATOM 2675 CB SER A 368 87.455 29.714 11.366 1. .00 61. .56 AAAA C

ATOM 2676 OG SER A 368 88.629 29.174 10.800 1. ,00 68. ,62 AAAA O

ATOM 2677 C SER A 368 88.534 30.727 13.360 1. ,00 61, .08 AAAA C

ATOM 2678 O SER A 368 87.946 30.720 14.443 1. ,00 63. .04 AAAA O

ATOM 2679 N SER A 369 89.836 30.480 13.252 1. ,00 60. ,68 AAAA N

ATOM 2680 CA SER A 369 90.645 30.151 14.430 1, .00 59, .52 AAAA C

ATOM 2681 CB SER A 369 92.114 29.919 14.039 1, ,00 57. .71 AAAA C

ATOM 2682 OG SER A 369 92.713 31.073 13.467 1. .00 59, .23 AAAA O

ATOM 2683 C SER A 369 90.588 31.181 15.551 1. .00 60. .08 AAAA C

ATOM 2684 O SER A 369 90.746 30.839 16.720 1. ,00 62, ,33 AAAA O

ATOM 2685 N ASN A 370 90.361 32.440 15.195 1. ,00 58. .49 AAAA N

ATOM 2686 CA ASN A 370 90.308 33.510 16.176 1, ,00 58. .33 AAAA C

ATOM 2687 CB ASN A 370 91.726 33.873 16.599 1, ,00 58, .45 AAAA C

ATOM 2688 CG ASN A 370 91.760 34.771 17.807 1. ,00 60. .33 AAAA C

ATOM 2689 ODl ASN A 370 91.002 35.733 17.893 1. .00 64. ,95 AAAA O

ATOM 2690 ND2 ASN A 370 92.653 34.474 18.746 1. .00 59. .72 AAAA N

ATOM 2691 C ASN A 370 89.650 34.683 15.474 1, .00 58, ,00 AAAA C

ATOM 2692 O ASN A 370 90.296 35.676 15.152 1. .00 55, ,76 AAAA O

ATOM 2693 N PRO A 371 88.343 34.574 15.222 1, .00 59, .87 AAAA N

ATOM 2694 CD PRO A 371 87.472 33.457 15.628 1, .00 60 .28 AAAA C

ATOM 2695 CA PRO A 371 87.575 35.620 14.542 1, .00 59, .19 AAAA C

ATOM 2696 CB PRO A 371 86.136 35.152 14.716 1 .00 58 .74 AAAA C

ATOM 2697 CG PRO A 371 86.284 33.645 14.718 1, .00 61 .22 AAAA C

ATOM 2698 C PRO A 371 87.800 37.051 15.039 1 .00 58 .54 AAAA C

ATOM 2699 O PRO A 371 87.901 37.975 14.236 1 .00 56 .09 AAAA O

ATOM 2700 N PRO A 372 87.887 37.258 16.365 1, .00 59 .95 AAAA N

ATOM 2701 CD PRO A 372 87.683 36.316 17.480 1 .00 59 .91 AAAA C

ATOM 2702 CA PRO A 372 88.102 38.625 16.863 1, .00 60 .19 AAAA C

ATOM 2703 CB PRO A 372 87.969 38.470 18.382 1 .00 57 .61 AAAA C

ATOM 2704 CG PRO A 372 88.335 37.042 18.626 1. .00 58 .70 AAAA C

ATOM 2705 C PRO A 372 89.407 39.311 16.431 1 .00 60 .74 AAAA C

ATOM 2706 O PRO A 372 89.488 40.539 16.406 1 .00 64 .19 AAAA O

ATOM 2707 N LEU A 373 90.428 38.535 16.089 1 .00 59 .90 AAAA N ATOM 2708 CA LEU A 373 91.674 39.132 15.631 1.00 57.48 AAAA C

ATOM 2709 CB LEU A 373 92.705 38.066 15.278 1.00 52.34 AAAA C

ATOM 2710 CG LEU A 373 93.670 37.667 16.384 1.00 49.35 AAAA C

ATOM 2711 CD1 LEU A 373 94.747 36.766 15.818 1.00 45.52 AAAA C

ATOM 2712 CD2 LEU A 373 94.293 38.914 16.978 1.00 46.84 AAAA C

ATOM 2713 C LEU A 373 91.381 39.930 14.381 1.00 58.79 AAAA C

ATOM 2714 O LEU A 373 92.185 40.753 13.959 1.00 59.45 AAAA O

ATOM 2715 N ALA A 374 90.224 39.666 13.786 1.00 61.10 AAAA N

ATOM 2716 CA ALA A 374 89.816 40.341 12.563 1.00 63.56 AAAA C

ATOM 2717 CB ALA A 374 88.392 39.945 12.187 1.00 61.64 AAAA C

ATOM 2718 C ALA A 374 89.911 41.846 12.689 1.00 65.10 AAAA C

ATOM 2719 O ALA A 374 90.228 42.533 11.719 1.00 65.98 AAAA O

ATOM 2720 N THR A 375 89.649 42.359 13.887 1.00 66.49 AAAA N

ATOM 2721 CA THR A 375 89.687 43.804 14.118 1.00 68.57 AAAA C

ATOM 2722 CB THR A 375 89.026 44.165 15.471 1.00 71.12 AAAA C

ATOM 2723 OG1 THR A 375 87.764 43.491 15.585 1.00 72.40 AAAA O

ATOM 2724 CG2 THR A 375 88.787 45.673 15.556 1.00 72.39 AAAA C

ATOM 2725 C THR A 375 91.101 44.402 14.079 1.00 66.76 AAAA C

ATOM 2726 O THR A 375 91.274 45.613 13.896 1.00 66.91 AAAA O

ATOM 2727 N ILE A 376 92.106 43.550 14.232 1.00 64.99 AAAA N

ATOM 2728 CA ILE A 376 93.495 43.995 14.228 1.00 63.89 AAAA C

ATOM 2729 CB ILE A 376 94.308 43.208 15.272 1.00 65.92 AAAA C

ATOM 2730 CG2 ILE A 376 95.746 43.725 15.325 1.00 65.51 AAAA C

ATOM 2731 CGI ILE A 376 93.605 43.306 16.632 1.00 66.74 AAAA C

ATOM 2732 CD1 ILE A 376 94.230 42.460 17.717 1.00 70.74 AAAA C

ATOM 2733 C ILE A 376 94.136 43.807 12.860 1.00 62.86 AAAA C

ATOM 2734 O ILE A 376 94.976 44.605 12.436 1.00 62.72 AAAA O

ATOM 2735 N LEU A 377 93.728 42.742 12.178 1.00 59.53 AAAA N

ATOM 2736 CA LEU A 377 94.249 42.412 10.860 1.00 57.93 AAAA C

ATOM 2737 CB LEU A 377 93.884 40.970 10.503 1.00 56.40 AAAA C

ATOM 2738 CG LEU A 377 94,539 39.876 11.340 1.00 53.87 AAAA C

ATOM 2739 CD1 LEU A 377 93.762 38.586 11.219 1.00 51.33 AAAA C

ATOM 2740 CD2 LEU A 377 95.970 39.699 10.880 1.00 54.71 AAAA C

ATOM 2741 C LEU A 377 93.679 43.343 9.814 1.00 58.29 AAAA C

ATOM 2742 O LEU A 377 94.374 43.761 8.892 1.00 60.76 AAAA O

ATOM 2743 N ILE A 378 92.403 43.667 9.962 1.00 59.04 AAAA N

ATOM 2744 CA ILE A 378 91.744 44.539 9.009 1.00 58.52 AAAA C

ATOM 2745 CB ILE A 378 90.312 44.081 8.750 1.00 57.28 AAAA C

ATOM 2746 CG2 ILE A 378 89.625 45.046 7.810 1.00 54.27 AAAA C

ATOM 2747 CGI ILE A 378 90.334 42.675 8.152 1.00 55.44 AAAA C

ATOM 2748 CD1 ILE A 378 88.970 42.104 7.890 1.00 56.19 AAAA C

ATOM 2749 C ILE A 378 91.732 45.987 9.459 1.00 58.89 AAAA C ATOM 2750 O ILE A 378 90..939 46.,384 10.,317 1..00 58.,08 AAAA O

ATOM 2751 N PRO A 379 92. .625 46, ,799 8. ,874 1. .00 60. ,36 AAAA N

ATOM 2752 CD PRO A 379 93. ,580 46. .388 7, .830 1, .00 60, .30 AAAA C

ATOM 2753 CA PRO A 379 92. ,766 48. .226 9. ,173 1. ,00 63, .37 AAAA C

ATOM 2754 CB PRO A 379 93. ,813 48, .686 8. ,158 1. ,00 62. ,15 AAAA C

ATOM 2755 CG PRO A 379 94, ,628 47. .456 7. ,919 1. ,00 61. .44 AAAA C

ATOM 2756 C PRO A 379 91. ,438 48, ,963 8. .996 1. ,00 66. ,49 AAAA C

ATOM 2757 O PRO A 379 90. ,694 48, ,703 8. ,047 1. ,00 63. ,34 AAAA O

ATOM 2758 N PRO A 380 91. ,110 49. ,879 9. ,918 1, ,00 70. .56 AAAA N

ATOM 2759 CD PRO A 380 91. ,629 50. .075 11. ,285 1. ,00 73, .03 AAAA C

ATOM 2760 CA PRO A 380 89. ,839 50. .583 9. ,736 1. ,00 73. ,53 AAAA C

ATOM 2761 CB PRO A 380 89. ,771 51. ,474 10. ,970 1. ,00 73. ,84 AAAA C

ATOM 2762 CG PRO A 380 90. ,406 50, .595 12. .019 1. ,00 72. .58 AAAA C

ATOM 2763 C PRO A 380 89, .808 51. .361 8. .418 1. .00 74, .99 AAAA C

ATOM 2764 O PRO A 380 88, .771 51. .896 8. .021 1. .00 75, .33 AAAA O

ATOM 2765 N HIS A 381 90. .949 51. .403 7, .737 1. .00 76, .56 AAAA N

ATOM 2766 CA HIS A 381 91, .044 52, .099 6, .461 1, .00 78, .88 AAAA C

ATOM 2767 CB HIS A 381 92. .402 52, .814 6. .352 1, ,00 78, .05 AAAA C

ATOM 2768 CG HIS A 381 93. ,512 51, .962 5. .812 1. .00 77. .81 AAAA C

ATOM 2769 CD2 HIS A 381 94, .546 51, ,346 6. .432 1. .00 76, .72 AAAA C

ATOM 2770 NDl HIS A 381 93, ,651 51, .681 4, .469 1. .00 76, .44 AAAA N

ATOM 2771 CEl HIS A 381 94. ,722 50. .931 4. .286 1, ,00 75. .29 AAAA C

ATOM 2772 NE2 HIS A 381 95, .284 50, .713 5, .461 1. .00 76, .78 AAAA N

ATOM 2773 C HIS A 381 90, .852 51, .131 5, .290 1. .00 81, .21 AAAA C

ATOM 2774 0 HIS A 381 91, ,152 51, .463 4, .145 1. .00 82. .35 AAAA O

ATOM 2775 N ALA A 382 90, .351 49, .933 5, .583 1, .00 83, .59 AAAA N

ATOM 2776 CA ALA A 382 90. .118 48 .914 4, .554 1, .00 85, .01 AAAA C

ATOM 2777 CB ALA A 382 91, .056 47, .725 4, .752 1, ,00 85, .19 AAAA C

ATOM 2778 C ALA A 382 88, .674 48 .448 4, .627 1, .00 86, .34 AAAA C

ATOM 2779 0 ALA A 382 88 .163 47 .819 3 .696 1, .00 85 .29 AAAA O

ATOM 2780 N ARG A 383 88 .031 48 .748 5, .752 1, .00 87, .67 AAAA N

ATOM 2781 CA ARG A 383 86 .642 48 .386 5. .956 1, .00 88 .60 AAAA C

ATOM 2782 CB ARG A 383 86 .201 48 .852 7 .340 1 .00 88 .84 AAAA C

ATOM 2783 CG ARG A 383 87 .102 48 .288 8 .419 1 .00 89 .35 AAAA C

ATOM 2784 CD ARG A 383 86 .591 48 .563 9, .817 1, .00 91 .33 AAAA C

ATOM 2785 NE ARG A 383 87 .220 47 .678 10 .798 1, .00 90 .80 AAAA N

ATOM 2786 CZ ARG A 383 87 .111 46 .348 10 .791 1 .00 91 .60 AAAA C

ATOM 2787 NHl ARG A 383 86 .396 45 .731 9 .855 1, .00 90 .93 AAAA N

ATOM 2788 NH2 ARG A 383 87 .720 45 .628 11 .725 1 .00 91 .81 AAAA N

ATOM 2789 C ARG A 383 85 .857 49 .075 4 .840 1 .00 89 .65 AAAA C

ATOM 2790 0 ARG A 383 85 .986 50 .286 4 .636 1 .00 87 .91 AAAA O

ATOM 2791 N ILE A 384 85 .069 48 .280 4 .113 1 .00 91 .39 AAAA N fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc t-3 Hi H t-3 t-3 H H H t-3 t-3 ι-3 t-3 t-3 t-3 t-3 t-3 H t-3 HI ι-3 Hi Hi t-3 δ H δ H δ H t δ-3 δ H δt-3 d d d O O d d d d O O O d d d d d d d d d d d d d d d d d

3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 2 2 2 to to to O to DO CO CO CO to to CO CO CO CO to CO CO CO CO to to DO t to to to to DO

CO co 00 CO 00 03 03 03 CO oo co co 00 03 CO 03 03 00 03 CO CO CO CO 00 CO CO 00 00 00

OJ OJ LO LO CO CO O CO CO to CO CO to CO H H> H H¹ H> H H H H H> o O O o o

LO to H o o 03 v CΛ in Φ- oo to H O VD 00 CΛ in φ. 00 CO H O vo 00 CΛ LΠ

S3 S3 Ω £3 Ω Ω Ω 9 S3 O Ω S3 Ω -3 Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 Ω S3 d ffi ffi N to D Ω 03 CO CO D Ω 03 fc Ω 03

DO to H> α CO fc a fc

H fc g IS g fc fc f ffi ffi ffi ffi ffi ffi ffi ffi 13 13 3 13 13 X 13 pd fe fif fi 1 fc fc fc

X d g Hi HI HI HI HI HI HI HI to X to to to X to CQ CQ CQ

Ω δ Ω Ω Ω Ω Ω Ω Ω cn CQ cn CQ cn cn CO CQ CQ cn d O d d d o d 13 13 13 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc in in in m in in LΠ LΠ Lπ in in in in in in LΠ LΠ in in in m m Ui in en in in in in

H H H H H- H> H H H H¹ H> H> H H H¹ H> H¹ H H H H> H H H H H H H φ. rf* rf* rf* rf* φ. Φ- Φ- Φ. oo OJ LO 00 oo L LO oo OJ LO to CO CO CO CO CO O H H> H

H H H H H H H H H H H¹ H H H H H> H H H¹ H¹ H¹ H H¹ H H> H H¹ H> H" O H H> H> H H H H H H H H H H H H¹ M H DO CO CO CO to CO t to DO VD o VD VD VD VD VD CO CO vl va 00 00 CΛ vl cn vl VD VD O H H H CO to DO Φ- DO

VD DO VD CΛ vl O rf* in φ. H> vl H H¹ H in H CD vl en σ en vl rf* rf* O CO 0J O rf* rf* LΠ VD CO rf* O vl 00 to Φ- Φ- cn VO O in rf_* 0J DO 00 o LΠ cn va H LO -J CO CO oo σ. 00 vl VD LO to VO Φ. H H -J O rf* O LO 00 vl VD in H> LΠ 00 CΛ φ- o

1 1

O H o o O H> CO φ. m en cn 00 CΛ 03 -J CΛ vl v] 00 vl VD VD 00 oo in φ- in rf* to rf* Lπ VD o H oo CO H DO O CO CΛ DO φ. 00 VD in O 00 to vo Φ.

H 00 o H LΠ rf* to oo H 03 H O cn H vo o 03 rf* φ. φ. CO 03 03 00 03 O O CO o VD CΛ H in vl 03 o CO vl o H> VO oo O H CO 00 CΛ H φ. v Φ- CO O CO cn -0 cn φ.

H in en en vl 00 vo VD vo CO o vo 0J 00 Φ. φ> in CΛ 00 vl vo 03 LΠ 03 LΠ cn in en 00

H 00 Φ- Φ- oo CΛ H¹ 03 H H in CΛ 00 03 in VD O CΛ CΛ rf* VD φ. O -0 vo vo CO DO o in 00 H Lπ va CΛ φ. va 0J vo 0J 00 H> vo rf* rf* to o cn vl LΠ O va CO o

CΛ φ. 00 03 LΠ LO VO va H> VD in CΛ H O o VD va o OJ LΠ CΛ VD 00 -J. Φ- cn 00 CΛ

H¹ H H H H H¹ H H H H> H> H H H H H H H H H H H H H H H H H

O o o o O O o o o o o O o O o o O o O O o O O O O o o O σ o o O O o o o o o O o O O o O o o O o O o O O O O o o

VD vo VD CO 03 00 va va 03 CO vo VD VD VD VD 00 03 00 oo 03 03 00 03 00 VD VD vo vo CO LO H VD cn LJ CO 00 vl H o LΠ CΛ in φ. DO CO rf* Lπ •vl v] VO VD 03 VD O H H H

H H H VO vo vl H in LO LO VD LO CΛ LO cn DO CΛ vo φ. cn CO rf* 03 rf* φ. H H en

-J Φ- Φ- rf* va oo H H v CΛ CΛ O φ. va vl VO va VD H¹ O φ. H> CO en O vl cn CΛ

-3 -3 Ω SS Ω Ω Ω Ω -3 d Ω S3 Ω -3 Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω ≥3 Ω S3 d

ATOM 2834 C ARG A 514 119..261 4.,588 11..014 1.,00 67..93 XXX c

ATOM 2835 0 ARG A 514 118, .787 4. .385 12. .134 1. ,00 68. .93 XXX 0

ATOM 2836 N LEU A 515 120. .374 5, ,292 10, .810 1. ,00 61. .01 XXX N

ATOM 2837 CA LEU A 515 121. .143 5. .887 11. .916 1. ,00 58. .65 XXX c

ATOM 2838 CB LEU A 515 122. .332 6. ,704 11, .358 1. ,00 58. .01 XXX c

ATOM 2839 CG LEU A 515 123. .380 7. ,375 12. .257 1, ,00 60, ,20 XXXX c

ATOM 2840 CD1 LEU A 515 123, ,875 6, ,440 13, .351 1, ,00 56. .79 XXX c

ATOM 2841 CD2 LEU A 515 124, ,523 7. .821 11, ,358 1. ,00 60. .01 XXX c

ATOM 2842 C LEU A 515 120, .238 6. ,757 12, ,784 1. ,00 57. .99 XXXX c

ATOM 2843 0 LEU A 515 120, .312 6, .735 14, ,013 1. ,00 58. .63 XXXX 0

ATOM 2844 N LEU A 516 119. .366 7, ,512 12, .133 1. ,00 56. .79 XXXX N

ATOM 2845 CA LEU A 516 118, .444 8. .363 12, .860 1, ,00 56. .79 XXXX c

ATOM 2846 CB LEU A 516 117, .733 9, ,316 11, .907 1. ,00 55, .44 XXXX c

ATOM 2847 CG LEU A 516 116, .737 10, .287 12, .535 1, ,00 52, .83 XXXX c

ATOM 2848 GDI LEU A 516 117, .419 11. .153 13, .579 1, ,00 51. .66 XXXX c

ATOM 2849 CD2 LEU A 516 116 .147 11, .134 11, .431 1, .00 53, .07 XXXX c

ATOM 2850 C LEU A 516 117, .427 7. .494 13, .576 1, ,00 56, .16 XXXX c

ATOM 2851 O LEU A 516 117 .126 7, .709 14, .747 1. .00 55, .87 XXX 0

ATOM 2852 N GLN A 517 116, .910 6, .504 12, .861 1, ,00 56. .20 XXXX N

ATOM 2853 CA GLN A 517 115, .928 5, .585 13, ,412 1. ,00 56. .40 XXXX c

ATOM 2854 CB GLN A 517 115, .522 4. .574 12, .343 1. ,00 60, .15 XXXX c

ATOM 2855 CG GLN A 517 114. .657 3, .440 12. .844 1. ,00 70. .79 XXXX c

ATOM 2856 CD GLN A 517 114, .156 2, .540 11. .715 1, ,00 78. .22 XXXX c

ATOM 2857 OEl GLN A 517 114, .818 2, .383 10, .679 1, .00 82. .88 XXX 0

ATOM 2858 NE2 GLN A 517 112, ,985 1, .932 11. .919 1. ,00 77. .98 XXXX N

ATOM 2859 C GLN A 517 116, .482 4, .876 14, .644 1, .00 52, .77 XXXX c

ATOM 2860 O GLN A 517 115 .747 4. .598 15, .586 1, ,00 52. .88 XXXX 0

ATOM 2861 N GLN A 518 117, .778 4, .596 14, .652 1, .00 48. .78 XXX N

ATOM 2862 CA GLN A 518 118, .366 3. .933 15, .806 1. .00 49. .80 XXXX c

ATOM 2863 CB GLN A 518 119 .694 3, .265 15 .445 1. .00 50, .67 XXX c

ATOM 2864 CG GLN A 518 119, .629 1. .736 15, .270 1, .00 54. .03 XXX c

ATOM 2865 CD GLN A 518 119 .472 0, .964 16 .580 1. .00 56, .24 XXXX c

ATOM 2866 OEl GLN A 518 120 .300 1, .077 17 .491 1, .00 58, .06 XXXX 0

ATOM 2867 NE2 GLN A 518 118 .411 0, .166 16 .671 1, .00 56, .15 XXXX N

ATOM 2868 C GLN A 518 118, .585 4. ,909 16, .949 1, .00 48, .64 XXXX c

ATOM 2869 O GLN A 518 118 .339 4, .573 18 .106 1, .00 47, .78 XXXX 0

ATOM 2870 N LEU A 519 119. .061 6. ,110 16, .629 1. .00 48, .16 XXXX N

ATOM 2871 CA LEU A 519 119 .297 7, .124 17 .648 1, .00 46, .32 XXXX c

ATOM 2872 CB LEU A 519 119 .810 8, .418 17 .021 1, .00 46. .84 XXXX c

ATOM 2873 CG LEU A 519 121 .302 8 .771 17 .034 1, .00 48. .82 XXXX c

ATOM 2874 CD1 LEU A 519 122 .084 7, .789 17 .878 1, .00 45. .54 XXXX c

ATOM 2875 CD2 LEU A 519 121 .815 8 .796 15 .609 1 .00 48 .05 XXXX c fc fc fc fc fc δ δ fc fc fc fc fc fc δ fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc t-3 t-3 Hi H H t-3 t-3 t-3 H t-3 H t-3 1-3 Hi Hi t-3 ι-3 H HI t-3 t-3 Hi H H H H t-3 H H H H H H HI t-3 HI Hi t-3 Hi Hi Hi Hi

O O O d d d d d d d d O O O d d O O O d d d O O d d d d d d d d d d d d d d d d d O

2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3

CO CO CO to O to to to to O CO to DO DO CO CO CO CO to CO to to DO to DO DO DO to to CO DO DO t to to to CO to to CO CO O

VD VD VD VD VD VD O VD VD VD vo VD VD VD VD VD vo vo CO CO 00 CO 03 03 03 CO 03 CO CO CO CO co CO 00 CO CO 03 CO CO 00 CO CO

H H H* H> H* H> H> H> o O o o o O O O o o VD VD vo VO VD VO VD VO VD VO CO CO oo CO 00 00 00 00 03 CO va v] -J ~J va CΛ LΠ rf* LO CO H O VD 00 va CΛ Lπ Φ- 00 O H o VD 00 vl en in rf* 00 to H o vo 00 j en in rf_* LO to H> o vo 03 v] CΛ

Ω Ω Ω Ω Ω Ω S3 d Ω £3 o Ω Ω Ω S3 d Ω Ω S3 d Ω O Ω Ω -3 d Ω Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω

D D Ω 03 fc Ω

CO H αO Hα Ω 03 fc fc Ω 03 fc X O α Ω 03

H- fc DO Ω 03 fc

H> tr* Ir* tr* ir* tr* tr* tr* fc fc fc fc fc fc fc fc Ω Ω Ω Ω to cn cn cn cn cn t-i tr* tr* tr* X tr* tr* t-i < < <*, < <; <; X t*

CO to to to to to CO cn cn cn cn cn CQ CQ CQ tr* tr* tr* tr* CO CO CO CO CO to CO CO CO CO O CO CO CO

K X X to to X X G G G G G G G G {? δ r fc fc fc fc fc m CO

G G G G G G G S3 S3 S3 S3 S3 S3 S3 S3 Ki Ki tr* tr* Ir* t* tr* G G fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc in LΠ on in in LΠ LΠ LΠ LΠ LΠ in in in in Lπ in m m in in in in in in on LΠ in LΠ in LΠ LΠ LΠ LΠ in LΠ in in LΠ LΠ in LΠ LΠ to to CO CO O CO DO CO DO O CO CO CO O to to to to to to to DO to to to CO t CO CO to CO CO CO O CO CO CO CO CO CO H H

LΠ m in in m in in rf_* rf_* rf_* rf_* rf_* φ. rf* Φ- 00 LO OJ LO CO to DO to CO to H> H> H< H> H> H H H o o o o o o o VD VD

H H> H¹ H H H H¹ H¹ H H H H H H H H¹ H> H> H H H H¹ H> H> H H H H H H> H¹ H H H H H to H H> H> H H H CO CO DO CO O to to H H H> H H H> H H H H¹ H¹ H H H> H H H Hⁱ H H H H H H H >** o CΛ 03 va oo VO vo H¹ O H H H> H o vo 00 00 vj vl vl va vo VD -J σi m in CO φ. 00 in φ. in φ. LΠ m φ. in CΛ vj -J σ H in O o o LΠ LΠ vl CΛ in VD vl cn in to 03 in LO VD v] CΛ CO 00 VD o CΛ in H> CO o oo CO LO o o m LΠ vo vo vo VO cn Φ- vo vl o LO Φ- va en rf* LO CO H VD o CΛ OJ o VD vo φ. rf* cn O cn φ. φ- H 00 vo vl LO 00 03 v3 vj o Lπ CO VO m ID CO vl o v CΛ CO CO CO O 03 LΠ φ- CO CΛ 00 Hv] CO H o in 0J CO φ- VD H to o VD CΛ o VD en •J j 00 VD φ. o cn

H H H H H¹ H¹ H H CO to CO DO H H" o O VD in va cn vl 03 03 03 03 vl CΛ φ- in in oo 0J rf* LO oo O f-> O to φ. in CΛ en vo CO vi v] vl vl -J

00 vo on 00 03 in in LO VD cn oo vo CO VD CO 00 o 00 DO 03 o o 00 00 o LΠ oo oo H> φ. 03 o O cn φ- CO DO vo cn LO cn rf* rf* -O CΛ VD φ. φ. to CO CO φ. J CO CO CO CΛ φ. LΠ o o H φ. LO VD rf* φ. LΠ φ. CO LΠ H φ. in φ. CΛ DO o 03 φ. co oo o in to cn VD DO oo 00 in CO H¹ vo oo CΛ H VD 00 CΛ LO VD DO oo o φ- H cn LO vj O o vo CΛ o φ. H> in DO cn φ. en m CΛ

H H¹ H H CO CO O to O to to t O DO CO CO DO to to DO CO co to to to H¹ H> H H H H H H H¹ H¹ H H H H H vo v] CΛ va VO o o o O CO φ. CO H> H H φ. 00 DO H 00 to o o H o H o CO CΛ vl 03 VD 03 o 00 CΛ vl v3 co v3 VD CD vo rf* VD O φ. φ. Φ- VD CΛ O vo vl VD vo O o oo vo cn rf* 0J VD φ. to φ- φ. H CΛ 00 CO H φ- vo vo CO CΛ o H> LΠ m 00 o to CO H> H¹ in 03 LΠ o 03 o LΠ VD 03 CΛ o vl v] 00 rf* in CO φ- 0J VD cn o cn 00 φ. 00 CO LO LO H to to LJ 03 en Π o 03 o 03 in VD φ. CO DO O 00 cn in cn in o CO to CΛ 00 rf* oo o o VD H> in to CO H vj H o CO vl rf* VD Lπ co LO H

H H H H> H H H¹ H H H H H H> H H H* H H H H H> H¹ H H H¹ H H> H H> H H H H H H H H H H¹ H H H o O O O o O O o O O O O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O O O o o O o o O O O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o φ. LO OJ rf* rf* rf* rf* rf* Φ- φ. rf* Φ. Φ- φ- φ. oo φ. φ. φ- rf* rf* φ- φ. φ- rf* φ. φ. φ. φ. φ. φ. φ- φ. φ. φ. φ- φ- φ. φ. φ. φ- vl φ- in 03 o o CO in φ. φ- Φ- 03 03 v] in LO to o CO DO v] in cn CΛ en in rf* en in -J in 1 v] 00 CO vl LO O LΠ φ. in v va v] H¹ OJ in to H CΛ 03 DO φ. O o CΛ H H¹ in in 03 φ. rf* DO LΠ o LΠ VD v] LΠ o vo CO o φ. CΛ o CO vo CO VD CO 00 to

LO rf* LΠ H¹ va cn φ. to vj CΛ CO LO m CΛ in vo CO vl in rf* o 00 to VD φ. co CO O LO cn in φ. 03 CO LΠ cn H in oo VD en o

Ω Ω Ω Ω Ω Ω -3 d Ω -3 d Ω Ω Ω -3 d Ω Ω S3 d Ω d Ω Ω -3 d Ω Ω Ω Ω Ω Ω t3 d Ω Ω Ω Ω Ω -3 d Ω

fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc ^ fc fc fc δ fc fc ^ fc fc fc δ fc δ δ fc fc 3 t-3 t-3 t-3 t-3 t-3 ι-3 H t-3 ι-3 t-3 t-3 t-3 ι-3 t-3 H t-3 H HI δ δ fc δ δ fc fc fc

H) t-3 HI i-3 1-3 t-3 t- t-3 H H t-3 t-3 t-3 H t-3 t-3 t-3 t-3 t-3 HI t-3 t-3 HI H d d d d d d d d d d P d d d d d d Q d d d d d d O Q d d d d d O O O

2 2 2 3 2 2 2 2 2 2 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 2 2 O O O O O O O

2 2 3 3 2 2 2 2 2 2 2

DO to to CO to to CO CO to CO O CO CO CO CO O O CO CO O to O to to to t to CO CO CO CO O CO O to to CO CO co CO to CO

VO VD VD VD VD VD VD vo VD VD VD VD vo vo VD vo vo VD o vo vo VD VD VD VD VD VD vo vo VD VD VD VD VD VD vo VO VD vo VD VD vo in in in m in in in in in m rf_* rf_* rf_* rf_* Φ- φ. φ- Φ- rf_* rf_* LO LO ) oo LO 0J LO oo 00 00 to to NJ to to to CO CO CO O H¹ H>

VD CO v] en m rf_* OJ to H> o VO 00 va CΛ LΠ φ. LO CO H" o VO 03 va CΛ in rf_* 00 to H O O 03 vl cn in rf* LO O H O VD 03

Ω S3 d Ω S3 d Ω Ω Ω S3 d Ω O O Ω Ω Ω Ω S3 O Ω

9 Ω Ω Ω Ω -3 Ω Ω Ω Ω Ω -3 O Ω O Ω Ω Ω Ω S3 O to Ω Ω 03 fc to fc CO CO 03 fc α c H> Ω Ω 03

CO H> CO H> α Ω N to Ω 03 f d t-¹ CO fc

≥ -_. --. <! <*, < < < fc fc s fc fc Ω Ω Ω Ω Ω Ω Ω Ω Ω tr* ir* t-ι tr* Ir* tr* t* tr* X H H H H H H H Hi tr* to to to fc fc i? fc F? H H H i? tδ 13 tr* tr* X t* t* tr* X tr* X i Ki κl K Ki Kj Ki Ki Ki t* I* ir* tr* tr* Ir* t* Ir* CO

Ω Ω Ω t* t* t* fc fc fc fc G G G G G G G G G cn cn cn co cn CQ cn CQ CQ CO CO O CO CO GO CO to G fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc m Lπ in in in m in m in LΠ in LΠ in LΠ in LΠ in in m in LΠ in LΠ in LΠ in LΠ in LΠ LΠ m in w LΠ in in in LΠ in m LΠ LΠ O OJ oo 00 oo oo LO 00 oo CO CO CO CO to CO DO CO CO to DO DO CO CO to CO to O CO CO O CO O CO CO CO CO CO to to t CO

H H> H O o o o o o o VD vo O VD vo co oo co co 00 co co co 03 vl vl -J vl va -J vl vl cn CΛ en CΛ σ> CΛ cn CΛ in

H H> H> H¹ H H H> H H H> H H H H H> H> H H H> H H H> H H H H H H H¹ H H¹ H¹ H> H> H¹ H" H¹ H> H I-¹ H¹ H t CO CO to to O to DO t CO to to to DO DO DO DO DO DO to to to to CO CO DO CO CO CO DO CO O CO CO to CO H H CO H CO H¹ to 03 CO vj CO vl φ. CΛ in in φ. in rf* DO LO CΛ rf* CΛ . φ. oo in Φ- H 00 φ. φ. LO LO CO CO H vj CO o O o rf* cn CΛ Φ. Φ VD

H 00 CO in H CO H CΛ in oo VD -j VO cn VD CO O VO CΛ LΠ O m o vj vo φ- OJ CO CO DO in CO LO o CΛ va H" O H¹ in LO va H> rf* LΠ H CO co O DO rf* rf* LO in -a H> VO VD vl CΛ en CO Φ- v] CΛ 00 CO cn LΠ Φ- vl H φ. 03 VO φ- CO vl vo CΛ o m Φ- rf* Φ- LO H¹ in vl 00 φ. OJ vj O H o VO O VD en H¹ in OJ v] H o in φ- m in o m H¹ in cn H CO φ. LΠ 0J 00 rf* O 0J o OJ

H H H H H H H H> H H H H H> H> H H¹ H H H H H> H¹ I-¹ H¹ H> H> H H" H> H¹ H> H H H H H 00 φ. in cn v vl vl v] en en cn CΛ in φ. OJ 00 o VD O o H O DO 00 to VD VD VO H H LO LO in φ. LΠ LΠ CΛ LΠ rf* 00 LO

0J vo φ. in v] CO VO H> H" 00 D OJ O 00 H cn 00 VD CO LΠ VO o o DO in VD vl cn cn o 03 Φ- 0J in en CO in to rf* CO 00 O CO φ- OJ CO 00 vl VD rf* VD o H> σ. H H> OJ H 03 LΠ to o φ. cn LO VD 03 vl en CΛ LΠ UI VD LΠ rf* vo vo CΛ H o rf* CO O co CO v O CO H> 03 LΠ o in va LO v] O DO J cn VD OJ CO LO -J φ- CO m H cn H cn φ- H LΠ Φ- CΛ o CO rf* o Φ- CO O to CO CO CO DO O CO CO H> H H H H> H H H H H> H H H> DO CO to CO to O CO to CO CO to O CO O to DO CO CO H o O o o o CO OJ CO o VO oo CO va vl 03 03 03 en 00 vl 1 00 VO o H¹ H¹ in LΠ φ. φ. 00 CO H H> LO CO 00 to H H> VD to co in 00 in in o CO v] VD o cn 03 VD cn rf* 03 CO H> CO 0J ^■vl σ. CD vo 03 LO vl in o 03 o cn in CO in oo H vj Φ- o O t VD CO H o H o LΠ OJ CO o in CΛ σi vo rf* 00 H vl LΠ cn VO va cn o VD vl cn in LΠ -J vl CO o v] cn oo H¹ VD o rf* o φ. φ. H φ- va CΛ o OJ vl to CO rf* O m in in VD rf* o o LΠ oo vj o O en LΠ φ. vo Lπ 03 vl o H> co rf* Φ- 0J va

H H H H H H¹ H» H H» H H> y H> H> H> H> H H H H H H H H H H H H H H H H H H f-^J H H> H¹ H H H

O O o o o o O o O o o o O o o O o o O o o o o o O O o o o o o O o σ o o O o o o o o O O o o o o O o o o o o O o O o o o o o o o o o O o o o o o o o o σ O o O o o o o o in m φ. φ. φ. Φ- rf* rf* φ. rf* rf* rf* Φ- φ. Φ- LΠ in cn cn cn in LΠ φ- φ. LΠ φ. Φ- φ. φ. φ. φ. φ. φ- Φ- Φ- LO LO rf* rf* φ- rf* rf* in to vo cn en v] LΠ CΛ rf* to Φ- in CΛ VD LO H vl in Φ- VD LO o va CO VD 03 LΠ CΛ vl vo 03 1 03 cn CO VD o CO in rf* rf* vl VD oo co vl vo 00 oo vl CO 03 DO CΛ 00 -J LΠ CO to VD en in H en cn v] vj vo VD vo in φ. VD 0J vo v H CO CO in VD 00 H 03 cn CO o LΠ CO 03 cn 00 o VD 00 00 CO o to LO 03 03 en oo Φ- LΠ CO VD φ. 03 o O 00 LΠ CO vo rf_* v] vl H in CΛ Ln

KS S KS K KS KS KS S KS KS KS KS KS KS KS KS KS KS KS KS KS KS KS KS KS KS S KS *S

SKHS KKHS SKHS KSSH SKH SKSH SKSH SKSH KKHS KKSH SrSH KKHS KKSH SKHS SKHS KSSH SKHS KS KS S rS KS KS KS KS KS KS KS KS KS KS KS KS KS KS KS

SKH KHS K>^H KΛH Kι^H K^H KκH KKH SKSH KKH K^H S.^H KH KKH SKH SH SH K K K ι^ Λ ^ ι^ K SKH SKH S»^H Sι^H S^H SH SKSH KSH S^H SH S^H Sr^H SrH K^H S^H S^H KSSH SKH SH SH SKSH KSSH KSHS SKSH SH SH KSSH SKHS SKSH SKSH KSSH KSHS KSHS

Ω Ω -3 d Ω Ω Ω Ω Ω -3 d Ω Ω Ω -3 d Ω d d Ω Ω Ω Ω S3 d Ω -3 Ω Ω Ω Ω Ω -3 d Ω Ω Ω Ω Ω Ω -3 d

fc fc fc fc fc fc fc fc fc fc fc fc δ δ fc fc fc fc δ δ fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc i H H H HI H H H fc fc

Hi H H HI H H ι-3 H H H ι-3 H Hi Hi ι-3 H Hi H d d d d d d d d d d d d d d d d d d d d d d d d O d d d d O d d d d d d d

2 3 3 3 2 2 2 2 2 2 3 2 2 2 2 d d

3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 3 3 3 3 2 2 2 3 3 3 oo oo to o o vo vo vo vo vo o vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo o o o vo vo vo co co oo co en cn en en cn cn σ\ cn c o oo σ. o o oo o cn LΠ vo cn

Ω d Ω -3 d -3 S3 9 S3 d Ω Ω Ω Ω Ω Ω g g Ω S3 g fc Ω 03 D -3 d Ω SS d Ω fc ffi w t X Ω to 9 a S3 Ω

Ω X O o Ω fc X D ffi ffi tsa α ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ir* ir* tr* tr* tr* tr* tr* tr* CO CO O CO CO H H H H H H H to to to to to o O CO g to gto δto δto δjo δto δto δtβ δto δto δto δto δto δto δto jg

X X t to to G G G G G G G G Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω IS 61 6 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc m LΠ LΠ w m LΠ LΠ LΠ LΠ LΠ in in L oo oo oo co oo

LΠ LΠ on rf* oo to co o

H to oo oo oo to rf_* o o o cn cn oo vo cn o vo o o t H o cn cn o H cn en in rf* to o m en cn en o en rf* rf_* en vo o o o o vo o σ. cn vo oo o

H m cn o o o vo o o rf_* o cn cn o ~ en co rf* rf* cn o o cn o σ cn cn vo cn vo rf_* vo co oo cn in oo rf_* H o rf_* vo to o o oo o o in o rf_* o o cn to H H o vo cn rf* rf_* cn rf_* oo cn cn o en in m cn o vo vo in to en cn cn cn cn o o o co en cn to cn o o

o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o σ σ o o o cn en cn cn cn cn cn cn en LΠ in en en en en vo co rf_* vo vo rf* oo en m σ cn o o vo cn o rf* rf* rf_* o co in o cn o oo σ cn to vo o cn to o o o cn o

X ixi ixi Ixi X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X ixi x X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X ixi ixi ixi ixi X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Ω d Ω Ω S3 d Ω S3 Ω S3 Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω Ω S3 d Ω -3 -3 Ω -3 Ω Ω Ω Ω -3 d Ω S3 S3 Ω S3 Ω Ω

ATOM 3002 O SER A 535 135.,530 18.,791 15..427 1.,00 73.,15 XXXX O

ATOM 3003 OT SER A 535 133. ,480 18. ,718 14, ,623 1. 00 73, ,10 XXXX O

ATOM 3004 CB ALA B 28 102, ,907 73. ,852 68, ,805 1. ,00 87, ,37 BBBB c

ATOM 3005 C ALA B 28 103, .070 72. .621 70. .974 1. ,00 89, ,27 BBBB c

ATOM 3006 O ALA B 28 104. ,056 72. ,912 71. ,655 1. 00 89. ,89 BBBB 0

ATOM 3007 N ALA B 28 102. ,349 75. ,008 70. ,920 1. ,00 88. .64 BBBB N

ATOM 3008 CA ALA B 28 102, ,311 73. .698 70, .200 1. ,00 88. .89 BBBB C

ATOM 3009 N SER B 29 102. ,607 71, ,375 70, .870 1. ,00 89. .68 BBBB N

ATOM 3010 CA SER B 29 103. .257 70, ,265 71, .569 1. ,00 88. .41 BBBB C

ATOM 3011 CB SER B 29 102. ,351 69. ,699 72. .665 1. ,00 88. .70 BBBB C

ATOM 3012 OG SER B 29 103. ,070 68. ,861 73, .561 1. ,00 87. .47 BBBB O

ATOM 3013 C SER B 29 103. ,675 69. ,130 70. .646 1, ,00 86. .81 BBBB C

ATOM 3014 O SER B 29 103. ,378 69. ,124 69. .445 1. ,00 86. .81 BBBB O

ATOM 3015 N ARG B 30 104, ,341 68. ,156 71. .257 1. ,00 83. ,96 BBBB N

ATOM 3016 CA ARG B 30 104, ,880 66. ,985 70. .581 1, ,00 79. .82 BBBB C

ATOM 3017 CB ARG B 30 106, .360 66. .891 70, .955 1. .00 80. .76 BBBB C

ATOM 3018 CG ARG B 30 107, .025 68. .270 71, .152 1, .00 79. .45 BBBB C

ATOM 3019 CD ARG B 30 107, .802 68. .706 69, .920 1. .00 80, ,74 BBBB C

ATOM 3020 NE ARG B 30 108. .174 70. .118 69, .937 1. .00 79, .58 BBBB N

ATOM 3021 CZ ARG B 30 108, .960 70. .692 69, .029 1. .00 80, .17 BBBB C

ATOM 3022 NHl ARG B 30 109, .470 69, .980 68, .027 1. .00 82, .30 BBBB N

ATOM 3023 NH2 ARG B 30 109. .225 71. ,987 69. .108 1. ,00 79. ,90 BBBB N

ATOM 3024 C ARG B 30 104, .128 65. .715 71, .010 1. .00 77. ,13 BBBB C

ATOM 3025 O ARG B 30 103, .225 65. .782 71, .847 1. .00 75, ,34 BBBB O

ATOM 3026 N ASP B 31 104, .494 64. .565 70, ,440 1. .00 75, ,13 BBBB N

ATOM 3027 CA ASP B 31 103, ,848 63. .298 70, .796 1. .00 72. .72 BBBB C

ATOM 3028 CB ASP B 31 103, .613 62, .428 69, .544 1, .00 71. .74 BBBB C

ATOM 3029 CG ASP B 31 104 .895 62, .089 68 .805 1. .00 70, .88 BBBB C

ATOM 3030 ODl ASP B 31 105 .735 62, .988 68 .628 1, .00 72, .62 BBBB 0

ATOM 3031 OD2 ASP B 31 105 .058 60. .927 68 .381 1, .00 71 .39 BBBB 0

ATOM 3032 C ASP B 31 104 .662 62, .532 71 .841 1, .00 72, .49 BBBB c

ATOM 3033 0 ASP B 31 105 .603 63, .070 72 .420 1, ,00 69. .55 BBBB 0

ATOM 3034 N LYS B 32 104 .286 61, .284 72. .099 1, ,00 73, .27 BBBB N

ATOM 3035 CA LYS B 32 104 .995 60, .471 73 .080 1, .00 74, .73 BBBB C

ATOM 3036 CB LYS B 32 104 .602 58 .996 72 .936 1, .00 74 .28 BBBB c

ATOM 3037 CG LYS B 32 103 .200 58, .640 73 .414 1, .00 75, .41 BBBB c

ATOM 3038 CD LYS B 32 102 .999 57 .132 73 .370 1 .00 78 .08 BBBB c

ATOM 3039 CE LYS B 32 104 .072 56 .420 74 .197 1 .00 80 .97 BBBB c

ATOM 3040 NZ LYS B 32 104 .035 54 .933 74 .106 1 .00 80 .23 BBBB N

ATOM 3041 C LYS B 32 106 .504 60 .591 72 .911 1 .00 75 .55 BBBB C

ATOM 3042 O LYS B 32 107 .243 60 .761 73 .881 1 .00 75 .81 BBBB O

ATOM 3043 N ASP B 33 106 .949 60 .519 71 .660 1 .00 77 .80 BBBB N ATOM 3044 CA ASP B 33 108,.372 60,.568 71,.328 1,.00 79,.81 BBBB C

ATOM 3045 CB ASP B 33 108. .629 59. .680 70, .099 1. ,00 82, .82 BBBB C

ATOM 3046 CG ASP B 33 108, .139 58, .239 70, .301 1, .00 87, .79 BBBB C

ATOM 3047 ODl ASP B 33 108. .754 57. .489 71. .101 1, .00 88. .03 BBBB 0

ATOM 3048 OD2 ASP B 33 107, .128 57, .863 69, .664 1. .00 89, .47 BBBB O

ATOM 3049 C ASP B 33 108. ,973 61. .963 71, .109 1. .00 78. ,95 BBBB C

ATOM 3050 O ASP B 33 110, .117 62. .087 70. .669 1. .00 77, .58 BBBB O

ATOM 3051 N GLY B 34 108, .200 63. .004 71, .410 1. ,00 77, .93 BBBB N

ATOM 3052 CA GLY B 34 108. .689 64. .368 71, ,269 1. .00 75, .71 BBBB C

ATOM 3053 C GLY B 34 108, .716 65. .012 69, .890 1. .00 75. .22 BBBB C

ATOM 3054 O GLY B 34 109, .458 65. .974 69, .686 1. .00 75. .69 BBBB O

ATOM 3055 N SER B 35 107, .917 64. .511 68, .948 1. .00 74, .83 BBBB N

ATOM 3056 CA SER B 35 107, .875 65. .069 67, .593 1, .00 72. .11 BBBB C

ATOM 3057 CB SER B 35 107, .828 63. .945 66, .554 1. .00 73, ,97 BBBB C

ATOM 3058 OG SER B 35 108, .923 63. .059 66, .704 1, .00 78, .00 BBBB O

ATOM 3059 C SER B 35 106, .664 65. .980 67, .398 1. .00 70, ,10 BBBB C

ATOM 3060 O SER B 35 105, .542 65. .636 67, ,781 1, .00 69, .29 BBBB O

ATOM 3061 N LYS B 36 106. .903 67, .144 66, .802 1. .00 68. .52 BBBB N

ATOM 3062 CA LYS B 36 105, .847 68. .114 66, ,539 1, .00 67, .42 BBBB C

ATOM 3063 CB LYS B 36 106. ,380 69. .180 65, .575 1. .00 68, .95 BBBB C

ATOM 3064 CG LYS B 36 105, .789 70. ,574 65, .729 1. .00 71. .77 BBBB C

ATOM 3065 CD LYS B 36 106, ,471 71. ,577 64. .773 1. .00 74, .25 BBBB C

ATOM 3066 CE LYS B 36 107, .976 71. .750 65, .068 1. ,00 76, .76 BBBB C

ATOM 3067 NZ LYS B 36 108, .686 72. ,708 64. .154 1, .00 75, .62 BBBB N

ATOM 3068 C LYS B 36 104. .684 67, ,350 65. .902 1, .00 66. .18 BBBB c

ATOM 3069 O LYS B 36 104. .901 66 , ,550 64. ,989 1. ,00 64. .21 BBBB 0

ATOM 3070 N VAL B 37 103, .463 67. .566 66, .394 1. .00 65. .03 BBBB N

ATOM 3071 CA VAL B 37 102. .286 66. .889 65, .832 1. ,00 63, .55 BBBB c

ATOM 3072 CB VAL B 37 101, ,491 66. .099 66, .898 1, .00 63. .34 BBBB c

ATOM 3073 CGI VAL B 37 100. .232 65. .500 66, ,271 1. .00 62. .51 BBBB c

ATOM 3074 CG2 VAL B 37 102, .353 64, ,997 67, .466 1. .00 63. .33 BBBB c

ATOM 3075 C VAL B 37 101, .332 67, .870 65, .155 1. .00 62, .46 BBBB c

ATOM 3076 O VAL B 37 100, .500 68, .507 65 .805 1. .00 62. .93 BBBB 0

ATOM 3077 N THR B 38 101 .466 67, .966 63 .837 1, .00 60, .34 BBBB N

ATOM 3078 CA THR B 38 100. .652 68. .848 63, .018 1, .00 58. ,00 BBBB C

ATOM 3079 CB THR B 38 101, .307 69, ,060 61, .645 1, .00 59. .35 BBBB c

ATOM 3080 OG1 THR B 38 102, .608 69, .636 61, .815 1. .00 58, .31 BBBB 0

ATOM 3081 CG2 THR B 38 100, .451 69, ,973 60 .781 1. .00 58. .75 BBBB c

ATOM 3082 C THR B 38 99 .255 68, .285 62, .789 1. .00 56, .41 BBBB c

ATOM 3083 O THR B 38 99 .091 67, .083 62 .566 1, .00 56, .41 BBBB 0

ATOM 3084 N THR B 39 98, .254 69, .162 62, .855 1. .00 56, .85 BBBB N

ATOM 3085 CA THR B 39 96 .853 68 .790 62 .626 1, .00 55, .94 BBBB c fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc c fc fc c

H H H H H H H H H H H H H H H H H H H H H H H H H H δ H H H δ H f fc fc fc

H fc f

H H H H H H H H H H t-3

O n Ω O o Ω O Ω Cl (1 O O O Ω O Cl O f . O C> (. o O O <) O c> tl O O t O O <> Cl C) o <) O o O d

3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 3 3 2 3 2 2 3 2 2 2 2 2 2 3 2 3 3 3 3 3

OJ LJ 00 00 00 oo 00 oo OJ LJ OJ LJ LO 00 00 00 LO OJ LO 0J OJ LO LO LO OJ LO OJ J LO LO oo 00 OJ oo 00 00 oo 00 OJ 00 O OJ

H H H H H H> H> H> H> H H> H> H> H H H H H H H H H H H> H H H H o O o o o o o o o o o o o o

CO CO CO to CO to CO CO H H H H H* H> H H H> H O O O O O O O O O O VO VD VD VD VD VD VD VD VD VD 03 00 CO CO va cn Lπ rf* J CO H¹ O VD 00 v en in Φ- 0J CO H O VD 00 vl cn in Φ- 00 CO H¹ o VD 00 vl cn in Φ- 00 O H o VO 03 -J cn

O Ω Ω S3 o Ω Ω Ω o Ω S3 d Ω Ω o Ω Ω -3 o Ω n o -3 o Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 Ω Ω Ω o Ω fc 61 to fc X 61 61 03 fc to fc 61 61 03 fc 61 61 03 fc 61 61 03 O H DO H to CO H

03 to to 03 to to 03 03 03 03 03 03 X 03 03 03 03 to to to 03 to td 03 to 03 03 to to ro 03 03 03 ω to 03 ω 03 03 ω 03 to rf* Φ> Φ- Φ- φ» φ. φ. Φ- φ. φ. rf* φ. Φ. Φ> Φ- φ. φ. Φ- φ. φ- φ. Φ- Φ- Φ- φ- φ- Φ- φ. φ- Φ. Φ. Φ- Φ- Φ. Φ- φ. Φ. LO 0J CO CO OJ iπ LΠ in LΠ φ. φ- Φ- Φ- φ. φ. Φ- LO J oo LO 00 oo LO DO to CO CO CO H H H H H H> H< o o o o o o o VO vo vo VD VD

to vo VD VD VD CO VD co 03 o 03 00 VD VD CO 00 03 CO vo 00 VD VO vo VD VO vo vo co vo VD vo VD vo vo vo VD vo vo VD VO VD VD VD rf* o σ H¹ H VD o 03 VD o oo vo H> o CD vo D vo o vo o LO CO H CO H o vo o H DO 00 oo cn v] in in in CΛ cn φ. CΛ cn Π H φ. to CO o o LO CO OJ en φ. 00 o φ- Φ- CO VD vo 00 CO H 03 CO VO in oo CΛ cn vo DO cn H> to VD O in Φ- DO m CΛ o VO CΛ o φ. CO rf* H φ> φ. vo LO CΛ DO v] H o H rf* VD rf* 00 CΛ H LO rf* oo VD CΛ CO Φ- H 00 00 o 03 DO CΛ VD H DO 03 in CΛ CΛ φ- in φ. φ- cn OJ 03 LO CO LO vo 03 O o 0J Lπ H> vl LO CΛ DO H 00 σ oo H> cn H φ. 03 LΠ o vl H o CΛ CΛ cπ CΛ CΛ CΛ cn en CΛ cn CΛ cn cn CΛ CΛ en en en cn cn CΛ cn cn CΛ CΛ vl v] v] -J cn cn cn v] v] cn vl cn σ. en en

CO CO LO J rf* LO 00 t 00 rf* Φ- in in va vo 00 v] vl vl vl vl CO CD o o H> H H o o CO vo vo o O o vo H VD 00 CO vl cn va in H¹ va to in CΛ in 03 VD vo CO in H> CO vl 0J -O CO 00 vl VD o CO H in LO CΛ CΛ vl o vo rf* CO LO o 00 OJ VD 03 vo va vl vo 0J o o o H LO DO in in DO o Φ- LO ! LΠ vl oo OJ en rf* fr* en LΠ H Φ- CΛ in co v] in H in φ. DO H¹ CΛ o o O o H in cn H o oo H v] H CO H CO 00 vl Φ- CO Φ- 0J vl en 00 m CΛ en in 00 00 00 φ. o φ. -a φ- 00 H O LΠ J -J DO φ> Φ> φ. Φ- rf* Φ- in in in in in LΠ Π in LΠ in in in LΠ in m in in Π LΠ in in LΠ LΠ in in LΠ in in LΠ in cn CΛ cn CΛ en σi in cn vl 03 00 VD H H o to H o H o o H to Φ- Φ- rf* rf* CΛ in CΛ VD vl vl vl 03 o vo v CO 03 vo o H> H OJ φ. 00

00 m CO -0 VD φ. CΛ Φ- vo DO LΠ LO oo to va VD cn cn o CΛ en o in LO φ. LO VD 03 φ. φ. H> 03 rf* cn CΛ 00 cn CΛ CD vo

Φ. φ. 00 O 0J φ. LO VD in 00 in m vn O CO VD Φ- vo cn H VO 00 φ. vo CO φ. CΛ 03 in 00 CO LΠ o φ. H¹ Φ- CO Φ- cn CΛ CO oo vo CΛ v 00 00 Φ. CΛ LΠ o cn φ. en CO o o 00 in v LΠ LΠ vl CO CO cn DO LΠ H LO H 03 H o o H> in LO -a o o CΛ φ.

H H H H H H" H> H H H> H¹ H> H¹ H¹ H> H" H H H H H H H> H H H H H H H H H H> H H> H H> H> H> H H H* o σ o o σ o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o vl va CΛ cn cn LΠ in m LΠ LΠ LΠ in in LΠ LΠ in in in in LΠ in φ. in m in in in in rf* φ. LΠ φ. φ. in φ. in in in in CΛ LΠ vl CO in o H en CO vl 03 φ. LΠ en en 00 rf* rf* in rf* in VD o o 00 o H H VD va o en CΛ H vo H OJ φ. LΠ o σ. O o OJ to o o H> CO o VD o 00 VD CO cn CO 00 in φ. VD O rf* 03 H¹ rf* in vl φ. VD in o H VO O m H VD CΛ o H> LΠ H φ- vl o vl o cn o oo Φ- CΛ LΠ DO -o φ. vo rf* in 00 VD LO 03 VO 03 o H co vo LO oo vo CO in O DO cn φ. DO va vo DO

ω ω o3 ω ω 3 ω ro tϋ ω κ ω ω ro ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ro ω ω w ω ϋ3 ω o ω rjo o rjd ro o3 θ3 M θ3 ό3 ro o3 ro ro 3 -o M w rj -o -o to ro -d ro w ro ro ro o ro ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω w ro ω ω ro ω o3 ω ω ω ω ω ω ω ω ω ω o3 ω ω o3 ω ω ω w ω ω ω ω ω o3 ω ω w ω ω ω ro ω w ω ω ω ω ω -ύ to ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω ω ω ω to to d Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω d Ω Ω S3 d Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω

ATOM 3128 N GLN B 46 90.110 61,.607 47.264 1..00 81.95 BBBB N

ATOM 3129 CA GLN B 46 89. .431 60, .446 46 .691 1. .00 86 .70 BBBB C

ATOM 3130 CB GLN B 46 89, .481 59, .297 47 .701 1, .00 90 .23 BBBB C

ATOM 3131 CG GLN B 46 90 .898 58 .977 48 .182 1 .00 94 .64 BBBB C

ATOM 3132 CD GLN B 46 90, .938 58, .456 49 .622 1 .00 98 .36 BBBB C

ATOM 3133 OEl GLN B 46 90 .397 59 .087 50 .544 1 .00 97 .67 BBBB O

ATOM 3134 NE2 GLN B 46 91, .591 57, ,308 49, .821 1, .00 99, .39 BBBB N

ATOM 3135 C GLN B 46 87, .990 60, .645 46, .203 1, .00 87, .90 BBBB C

ATOM 3136 O GLN B 46 87, .758 60, .857 45 .008 1, .00 88 .45 BBBB O

ATOM 3137 N GLY B 47 87, .024 60, .571 47, .118 1, .00 89 .69 BBBB N

ATOM 3138 CA GLY B 47 85, .630 60, .714 46, .720 1, .00 90, .49 BBBB C

ATOM 3139 C GLY B 47 84, .851 61, .872 47, .327 1, .00 90, .42 BBBB C

ATOM 3140 O GLY B 47 84. .929 62, .992 46 .818 1, .00 90 .90 BBBB O

ATOM 3141 N PRO B 48 84, .067 61. .627 48 .400 1, .00 90, .63 BBBB N

ATOM 3142 CD PRO B 48 83, .796 60, .256 48, .883 1, .00 90, .53 BBBB C

ATOM 3143 CA PRO B 48 83. .238 62. .608 49. .130 1. .00 89. .67 BBBB C

ATOM 3144 CB PRO B 48 82, .669 61, ,778 50, .280 1, .00 90, ,59 BBBB C

ATOM 3145 CG PRO B 48 82, .487 60, .420 49, .632 1. .00 89, .82 BBBB C

ATOM 3146 C PRO B 48 83. .961 63. ,881 49, .619 1, .00 88, .17 BBBB C

ATOM 3147 O PRO B 48 84. .629 63, .881 50, ,662 1, .00 86. .92 BBBB O

ATOM 3148 N ASP B 49 83, .786 64, .962 48, .860 1, .00 86, .45 BBBB N

ATOM 3149 CA ASP B 49 84, .408 66, .263 49, .125 1, .00 85, .55 BBBB C

ATOM 3150 CB ASP B 49 84, .101 67. .209 47, .949 1, ,00 85, .44 BBBB C

ATOM 3151 CG ASP B 49 84. .960 68, .468 47, .952 1, .00 87, .20 BBBB C

ATOM 3152 ODl ASP B 49 85, .090 69, .120 49, .011 1, .00 89. .28 BBBB O

ATOM 3153 OD2 ASP B 49 85. ,496 68, .817 46, .879 1, .00 88. .12 BBBB O

ATOM 3154 C ASP B 49 83. ,974 66. .922 50. .443 1. .00 85, .28 BBBB C

ATOM 3155 O ASP B 49 83. .120 67, ,811 50. .445 1. ,00 85, .80 BBBB O

ATOM 3156 N ARG B 50 84. .554 66, .496 51, .561 1. .00 83, .46 BBBB N

ATOM 3157 CA ARG B 50 84, ,210 67, ,092 52, .847 1. .00 83. .41 BBBB C

ATOM 3158 CB ARG B 50 83, .059 66, .321 53, ,515 1. .00 85, .92 BBBB C

ATOM 3159 CG ARG B 50 81, .681 66, .571 52. .869 1. .00 89, .70 BBBB C

ATOM 3160 CD ARG B 50 80, .518 65, .933 53, .653 1. .00 92, .30 BBBB C

ATOM 3161 NE ARG B 50 80, .337 66. .520 54. ,989 1. .00 96. .26 BBBB N

ATOM 3162 CZ ARG B 50 79. .365 66. .192 55, .850 1. .00 97. .76 BBBB C

ATOM 3163 NHl ARG B 50 78. .463 65. ,270 55. ,530 1. ,00 98. .20 BBBB N

ATOM 3164 NH2 ARG B 50 79, .285 66. .791 57, ,038 1, ,00 98. .93 BBBB N

ATOM 3165 C ARG B 50 85, ,425 67, .156 53, ,764 1. ,00 81, .40 BBBB C

ATOM 3166 0 ARG B 50 86, ,085 66, .144 54. .004 1. .00 80, .81 BBBB O

ATOM 3167 N PRO B 51 85, .742 68, .361 54. .277 1. .00 79. . 96 BBBB N

ATOM 3168 CD PRO B 51 85 .024 69, .626 54, .039 1. .00 79, .25 BBBB C

ATOM 3169 CA PRO B 51 86 .880 68, .589 55, .169 1, .00 78, .70 BBBB C ATOM 3170 CB PRO B 51 86.661 70.,017 55.,651 1.00 79,,09 BBBB C

ATOM 3171 CG PRO B 51 86. .048 70. ,659 54. ,468 1. 00 79. ,08 BBBB C

ATOM 3172 C PRO B 51 86. ,937 67, .606 56. ,317 1. ,00 77. .01 BBBB C

ATOM 3173 O PRO B 51 85. ,921 67. ,305 56. ,940 1. ,00 75, ,76 BBBB O

ATOM 3174 N GLN B 52 88. ,141 67. ,104 56. ,573 1. ,00 77, .22 BBBB N

ATOM 3175 CA GLN B 52 88. ,397 66. ,156 57. ,651 1. ,00 77, ,20 BBBB C

ATOM 3176 CB GLN B 52 88. ,778 64. ,780 57, ,114 1. ,00 79. ,84 BBBB C

ATOM 3177 CG GLN B 52 87, ,904 64. .199 56. ,033 1. ,00 83, .58 BBBB c

ATOM 3178 CD GLN B 52 88. ,361 62. ,800 55. ,659 1. 00 86. ,27 BBBB c

ATOM 3179 OEl GLN B 52 87. .873 62. .210 54. .692 1. ,00 89, .43 BBBB 0

ATOM 3180 NE2 GLN B 52 89. .306 62, .259 56, ,434 1. .00 84, .59 BBBB N

ATOM 3181 C GLN B 52 89. .588 66, .662 58. .446 1. .00 76, .08 BBBB C

ATOM 3182 O GLN B 52 90. .335 67, .527 57. .983 1. ,00 74, .95 BBBB 0

ATOM 3183 N GLU B 53 89. ,777 66, .097 59. .632 1, ,00 74, .26 BBBB N

ATOM 3184 CA GLU B 53 90. ,895 66, .477 60. .486 1. ,00 73, ,96 BBBB C

ATOM 3185 CB GLU B 53 90. .421 66, .663 61. .930 1. ,00 75, .87 BBBB C

ATOM 3186 CG GLU B 53 91. .547 66, .788 62. .949 1. ,00 81, .06 BBBB C

ATOM 3187 CD GLU B 53 91. .037 66, .890 64, .377 1. ,00 83, .11 BBBB C

ATOM 3188 OEl GLU B 53 91, ,751 66, .423 65, .289 1. .00 81, .83 BBBB 0

ATOM 3189 OE2 GLU B 53 89, .934 67. .442 64, .592 1. .00 84 .90 BBBB 0

ATOM 3190 C GLU B 53 91, .985 65, .408 60. .427 1. .00 71, .28 BBBB c

ATOM 3191 O GLU B 53 91. .828 64, .301 60, .945 1. .00 72, .43 BBBB 0

ATOM 3192 N VAL B 54 93. .093 65, .740 59. .783 1, .00 67, .15 BBBB N

ATOM 3193 CA VAL B 54 94, .184 64 .794 59, .673 1, ,00 63 .17 BBBB C

ATOM 3194 CB VAL B 54 94, .633 64, .631 58, .206 1. .00 63, .72 BBBB C

ATOM 3195 CGI VAL B 54 95, .791 63, .637 58, .123 1. .00 60, .69 BBBB C

ATOM 3196 CG2 VAL B 54 93, .454 64 .171 57, .352 1. .00 59, .82 BBBB C

ATOM 3197 C VAL B 54 95, .357 65 .280 60, .501 1. .00 60 .70 BBBB C

ATOM 3198 O VAL B 54 95, .711 66, .461 60, ,451 1. ,00 60. .53 BBBB 0

ATOM 3199 N SER B 55 95, .945 64, .367 61, .269 1. ,00 57, .85 BBBB N

ATOM 3200 CA SER B 55 97. .094 64 .688 62 .105 1, .00 55 .71 BBBB C

ATOM 3201 CB SER B 55 96 .763 64 .421 63 .563 1 .00 54 .40 BBBB C

ATOM 3202 OG SER B 55 95 .514 64 .995 63 .876 1, .00 58 .26 BBBB O

ATOM 3203 C SER B 55 98 .297 63 .847 61 .686 1, .00 55 .49 BBBB C

ATOM 3204 O SER B 55 98 .170 62 .662 61 .368 1 .00 54 .59 BBBB O

ATOM 3205 N TYR B 56 99 .468 64 .465 61 .671 1, .00 53 .62 BBBB N

ATOM 3206 CA TYR B 56 100 .668 63 .744 61 .296 1 .00 53 .20 BBBB C

ATOM 3207 CB TYR B 56 100 .938 63 .889 59 .794 1, .00 48 .52 BBBB C

ATOM 3208 CG TYR B 56 101 .168 65 .304 59 .301 1 .00 45 .25 BBBB C

ATOM 3209 CD1 TYR B 56 100 .115 66 .067 58 .788 1 .00 43 .68 BBBB C

ATOM 3210 CEl TYR B 56 100 .336 67 .351 58 .261 1 .00 43 .56 BBBB C

ATOM 3211 CD2 TYR B 56 102 .452 65 .861 59 .285 1 .00 43 .25 BBBB C fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

H H fc fc

H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H Hi

Ω o <) O o () o O o <> o o O O O o O o (> () o O Ω Ω () Ω Ω Ω O Ω d

2 2 2 2 2 3 2 2 2 2 2 3 3 3 3 3 3 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 3 2 2 2 2 2 2 3 2 oo w oo oo oo co oo ω oo to to ro to to rf* rf_* rf_* rf* rf_* rf* rf_* rf* rf* rf_* oo oo H to o vo rf* H o vo LΠ rf_* o cn rf_* σ cn rf_*

Ω Ω Ω Ω Ω S3 o Ω S3 Ω Ω Ω Ω p -3 d Ω d Ω p -3 Ω Ω d o Ω o

61 03 fc 61 03 fc X α 9 S3 o o Ω Ω Ω p S3 d Ω d Ω Ω

Ω 61 03 fc O X 61 03 61 61 03 fc ffi N to

<! <! <! <! < <S I-* I-* I-* X i-* H H H HI H H fc fc fc fc fc fc fc fc H H H H H H H H H H Hi Hi fδ fc fc S s fc K ffi ffi ffi ffi ffi ffi ffi in tn cn cn ιo cn ffi ffi ffi ffi ffi ffi ffi tr* tr* t* cn cn cn cn cn cn X t to X X to to 13 13 13 13 X to X to X to X fα to to to to ro -d -o ω ro o3 ro ro ro ro ro ro ro M ro M ro ro ro w w ro w ro ro w ro w ro ro ro ro ω w ro ro 03 θ3 θ3 θ3 03 03 en en cn cn en m LΠ LΠ LΠ LΠ m LΠ in in m in Π in LΠ m m LΠ LΠ

H o o o o o o VD VD VD CΛ CΛ en CΛ cn

cn en en cn cn cn cn cn cn cn cn cn cn cn cn cn cn cn cn cn en σ. cn cn cn cn en cn en en cn cn en cn en cn vo en o rf_* en en en co o H o oo oo oo •~a vo vo vo o co en o o oo to to vo o rf* cn o o m rf_* o oo rf_* rf* vo o rf* rf_* en o cn o o o

H rf_*

H H H H H H> H H H H o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o rf_* in cn cn cn cn m cn cn cn cn cn cn σ. cn cn rf* rf* vo cn vo rf_* H o rf_* o o rf_* rf_* H o rf_* o cn rf* rf* rf* o cn co cn o cn en rf_* o rf* cn co σs co vo cn o vo o rf_* rf*

03 03 03 03 03 03 03 03 t „O 03 03 03 03 03 ω ω ω ω ω ω ω ro ω θ3 03 tO 03 O3 D3 03 03 03 03 O3 O3 03 03 03 03 03 03 03 ro to ro to to to to to to ro ro ro oβ 03 -o ro o3 θ3 ro o3 ro o3 - M M co ό3 3 - M w ro o3 -o ro ro ro ro ro ro td θ3

M __ 0_3_ 0_3 03 ro - - _d 03 0.3 0.3. 0.3 03 03 0 _3 6o ro ro ω ω ro w ro ro o3 θ3 ω ro ro o3 ω όo ro td ϋ θ3 θ3 θ3 3 D3 θ3 θ td ro ro ro ro ro w ro o3 03 ro ro ro w ro o3 ro ro ro o3 03 to ro ro ro ro ij⁾ w w ro ro w ro o 03 03 to ro ro ro ro w

Ω Ω Ω Ω Ω -3 d Ω S3 Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 Ω Ω d d Ω Ω Ω S3 d Ω Ω d Ω Ω S3 d Ω d Ω Ω

ATOM 3254 0 VAL B 61 113..902 65..748 54..124 1..00 57,.74 BBBB O

ATOM 3255 N ILE B 62 112. .460 65. .799 52. .409 1. .00 57. .71 BBBB N

ATOM 3256 CA ILE B 62 113. .087 64, .682 51, .715 1. .00 59, .17 BBBB C

ATOM 3257 CB ILE B 62 112, .304 63, .349 51, .915 1, .00 57, .34 BBBB C

ATOM 3258 CG2 ILE B 62 112, .236 62, ,998 53, .393 1, .00 56, .54 BBBB c

ATOM 3259 CGI ILE B 62 110, .904 63, .457 51, .304 1, .00 58, .53 BBBB c

ATOM 3260 CD1 ILE B 62 110. .070 62. ,192 51, .427 1. .00 55. .43 BBBB c

ATOM 3261 C ILE B 62 113. .201 64. .962 50. .216 1, .00 63, .33 BBBB c

ATOM 3262 0 ILE B 62 113, .644 64, ,102 49, .455 1, ,00 65, .14 BBBB O

ATOM 3263 N GLY B 63 112, .810 66, ,165 49, .796 1, ,00 66, .50 BBBB N

ATOM 3264 CA GLY B 63 112. .884 66, ,514 48. .384 1. ,00 69, .67 BBBB c

ATOM 3265 C GLY B 63 112, .654 67. ,987 48. .086 1. .00 72, .03 BBBB c

ATOM 3266 0 GLY B 63 111, .849 68. .644 48. .744 1. .00 71, ,38 BBBB 0

ATOM 3267 N ASN B 64 113, .357 68. .510 47, .084 1. .00 74, ,81 BBBB N

ATOM 3268 CA ASN B 64 113. ,221 69. ,917 46, .712 1. .00 77. .99 BBBB C

ATOM 3269 CB ASN B 64 114, .396 70. .736 47, .254 1. .00 78, .07 BBBB C

ATOM 3270 CG ASN B 64 114, .312 70. .950 48, .747 1. .00 79, .26 BBBB C

ATOM 3271 ODl ASN B 64 114, .484 70. .018 49, .536 1. .00 79. .95 BBBB O

ATOM 3272 ND2 ASN B 64 114, .033 72, .184 49, .145 1. .00 80, .88 BBBB N

ATOM 3273 C ASN B 64 113, .090 70, .183 45, .218 1, .00 80, .61 BBBB C

ATOM 3274 0 ASN B 64 112, .923 69, .270 44, .408 1, .00 81, .00 BBBB O

ATOM 3275 N GLY B 65 113. .171 71, .461 44, .872 1, .00 83, .94 BBBB N

ATOM 3276 CA GLY B 65 113. .051 71, .872 43, .490 1. .00 85, .62 BBBB C

ATOM 3277 C GLY B 65 112 .457 73, .264 43, .445 1. .00 87, .40 BBBB C

ATOM 3278 0 GLY B 65 112, .053 73, .816 44. .479 1. .00 87. .21 BBBB O

ATOM 3279 N SER B 66 112, .410 73, .830 42, .243 1. .00 89. .32 BBBB N

ATOM 3280 CA SER B 66 111, .863 75, .167 42, .025 1. .00 90. .52 BBBB C

ATOM 3281 CB SER B 66 112, .118 75, .603 40, .572 1. .00 91. .59 BBBB C

ATOM 3282 OG SER B 66 113, .492 75, .487 40. .223 1. .00 93, .40 BBBB 0

ATOM 3283 C SER B 66 110, .354 75, .179 42. .323 1. .00 89, .80 BBBB C

ATOM 3284 0 SER B 66 109, .817 76. .175 42, .825 1. .00 88, .82 BBBB O

ATOM 3285 N PHE B 67 109 .688 74, .063 42, .016 1. .00 88, .23 BBBB N

ATOM 3286 CA PHE B 61 108, ,248 73. .909 42. .233 1. .00 85, .93 BBBB C

ATOM 3287 CB PHE B 67 107, .766 72. .566 41. .655 1. .00 88. .39 BBBB C

ATOM 3288 CG PHE B 67 108 .197 71 .365 42 .458 1, .00 92 .34 BBBB C

ATOM 3289 CD1 PHE B 67 107 .547 71, .034 43, .653 1, .00 94, .14 BBBB C

ATOM 3290 CD2 PHE B 67 109 .281 70, .591 42, .046 1, .00 94, .71 BBBB C

ATOM 3291 CEl PHE B 67 107 .974 69 .952 44, .431 1, .00 96 .52 BBBB C

ATOM 3292 CE2 PHE B 67 109 .718 69 .505 42 .816 1, .00 96 .82 BBBB C

ATOM 3293 CZ PHE B 67 109 .063 69, ,185 44, .014 1, .00 97, .07 BBBB C

ATOM 3294 C PHE B 67 107 .886 73 .987 43 .716 1, .00 82 .06 BBBB C

ATOM 3295 0 PHE B 67 106 .873 74 .584 44 .087 1, .00 82 .38 BBBB 0 ATOM 3296 N GLY B 68 108.,715 73,,376 44,.559 1..00 77,.48 BBBB N

ATOM 3297 CA GLY B 68 108, .452 73, .386 45, .982 1. .00 72, .23 BBBB C

ATOM 3298 C GLY B 68 109, .262 72, .360 46, .744 1, .00 68 .39 BBBB C

ATOM 3299 O GLY B 68 110, .263 71. ,853 46, .245 1. .00 68, .60 BBBB 0

ATOM 3300 N VAL B 69 108, .814 72. .054 47. .958 1. .00 62, ,32 BBBB N

ATOM 3301 CA VAL B 69 109, ,485 71. .100 48. .832 1. .00 57, .80 BBBB C

ATOM 3302 CB VAL B 69 109, .828 71. .748 50. .193 1. ,00 57, .69 BBBB C

ATOM 3303 CGI VAL B 69 110, .639 70, .785 51, .054 1, .00 52 .26 BBBB C

ATOM 3304 CG2 VAL B 69 110, .584 73, .035 49, .972 1, .00 57 .59 BBBB C

ATOM 3305 C VAL B 69 108, .610 69, .883 49, .104 1, .00 55 .65 BBBB c

ATOM 3306 O VAL B 69 107, .388 69, .990 49, .192 1, .00 55 .28 BBBB O

ATOM 3307 N VAL B 70 109, .248 68, .728 49, .248 1, .00 52, .42 BBBB N

ATOM 3308 CA VAL B 70 108, .545 67. .482 49, .534 1. .00 49, .37 BBBB C

ATOM 3309 CB VAL B 70 108, .905 66 . .396 48. .508 1, .00 46, .12 BBBB C

ATOM 3310 CGI VAL B 70 108, .002 65, .192 48. .706 1, .00 40, .45 BBBB c

ATOM 3311 CG2 VAL B 70 108, ,802 66 , .963 47, .091 1, .00 45, .84 BBBB c

ATOM 3312 C VAL B 70 108, ,918 66, .971 50, .926 1. .00 48, .42 BBBB c

ATOM 3313 O VAL B 70 110, ,095 66, .826 51, .246 1, .00 50, .43 BBBB 0

ATOM 3314 N TYR B 71 107, .920 66, .701 51. .757 1. .00 48, .32 BBBB N

ATOM 3315 CA TYR B 71 108, .197 66, .207 53, .098 1. .00 49, .04 BBBB C

ATOM 3316 CB TYR B 71 107, .474 67, .031 54, .168 1. .00 50, .87 BBBB C

ATOM 3317 CG TYR B 71 107. .834 68, .488 54, .229 1. .00 52, .72 BBBB C

ATOM 3318 CD1 TYR B 71 107. .545 69, .341 53, .166 1, .00 55, .27 BBBB C

ATOM 3319 CEl TYR B 71 107. .840 70, .698 53, .230 1, .00 54, .24 BBBB C

ATOM 3320 CD2 TYR B 71 108, .432 69, .024 55, .363 1, .00 54, .55 BBBB C

ATOM 3321 CE2 TYR B 71 108, .733 70, .380 55, .440 1, .00 56, .96 BBBB c

ATOM 3322 CZ TYR B 71 108. .432 71, .212 54, .369 1, .00 54, .52 BBBB c

ATOM 3323 OH TYR B 71 108, .714 72. .557 54, ,438 1, .00 58, .67 BBBB 0

ATOM 3324 C TYR B 71 107, .737 64, .783 53, .261 1, .00 47. .82 BBBB c

ATOM 3325 O TYR B 71 107, .050 64, .232 52, .413 1. .00 50. .75 BBBB 0

ATOM 3326 N GLN B 72 108. ,132 64, .197 54, .379 1. .00 50. .51 BBBB N

ATOM 3327 CA GLN B 72 107. .727 62, .852 54, .738 1. .00 52. .89 BBBB c

ATOM 3328 CB GLN B 72 108, .892 61 .869 5 .733 1, .00 55, .77 BBBB c

ATOM 3329 CG GLN B 72 108, .489 60 .540 55 .371 1, .00 62, .89 BBBB c

ATOM 3330 CD GLN B 72 109, .662 59, .640 55, .695 1, .00 68, ,00 BBBB c

ATOM 3331 OEl GLN B 72 109. .536 58, .691 56, .479 1, .00 70, ,14 BBBB 0

ATOM 3332 NE2 GLN B 72 110. .811 59, .923 55, .087 1, .00 69, .25 BBBB N

ATOM 3333 C GLN B 72 107, .217 62 .977 56, .159 1, .00 52, .25 BBBB C

ATOM 3334 O GLN B 72 107, .856 63 .615 57. .000 1, .00 53, .59 BBBB O

ATOM 3335 N ALA B 73 106, .067 62 .372 56 .422 1, .00 51, .48 BBBB N

ATOM 3336 CA ALA B 73 105, .471 62 .418 57 .743 1 .00 51, .79 BBBB C

ATOM 3337 CB ALA B 73 104, .428 63 .513 57 .802 1 .00 50 ,35 BBBB C ATOM 3338 C ALA B 73 104.,836 61..078 58.,038 1.00 52.,91 BBBB C

ATOM 3339 O ALA B 73 104. ,917 60. ,148 57. ,235 1. 00 51. ,02 BBBB O

ATOM 3340 N LYS B 74 104. ,204 60. ,982 59. ,199 1. 00 56. ,88 BBBB N

ATOM 3341 CA LYS B 74 103. ,548 59, .754 59. ,603 1. ,00 60, ,97 BBBB C

ATOM 3342 CB LYS B 74 104. ,385 59, .025 60. ,659 1. 00 63, ,87 BBBB C

ATOM 3343 CG LYS B 74 103. ,911 57. .602 60. ,959 1. 00 68, ,46 BBBB C

ATOM 3344 CD LYS B 74 104. ,842 56. .884 61, ,932 1. 00 71. ,68 BBBB C

ATOM 3345 CE LYS B 74 104. .849 57. .570 63. ,290 1. ,00 74. .53 BBBB C

ATOM 3346 NZ LYS B 74 105. ,894 57, .013 64, ,195 1. ,00 75. .91 BBBB N

ATOM 3347 C LYS B 74 102. .190 60, .102 60, .174 1. ,00 62. .04 BBBB C

ATOM 3348 O LYS B 74 102. .091 60. ,908 61. ,097 1. ,00 60. .83 BBBB O

ATOM 3349 N LEU B 75 101. .147 59, .507 59. ,605 1, .00 64, .10 BBBB N

ATOM 3350 CA LEU B 75 99. ,786 59. .732 60, .071 1. ,00 66 . .17 BBBB C

ATOM 3351 CB LEU B 75 98. ,804 58. .960 59, ,193 1. ,00 64. ,59 BBBB C

ATOM 3352 CG LEU B 75 98. ,124 59. .749 58, ,079 1. ,00 63. ,75 BBBB C

ATOM 3353 CD1 LEU B 75 99. ,161 60. .458 57. .252 1, ,00 64. .97 BBBB C

ATOM 3354 CD2 LEU B 75 97, .278 58, .807 57, ,233 1, ,00 64, .63 BBBB C

ATOM 3355 C LEU B 75 99. .659 59. ,258 61, ,516 1. ,00 69. .28 BBBB C

ATOM 3356 O LEU B 75 100. .286 58. .277 61. .906 1. .00 71. .08 BBBB 0

ATOM 3357 N CYS B 76 98, .857 59, .951 62, .315 1. ,00 72, .21 BBBB N

ATOM 3358 CA CYS B 76 98, .680 59, .557 63, .708 1. .00 73, .89 BBBB C

ATOM 3359 CB CYS B 76 98, .350 60, .785 64. .557 1, .00 72, .48 BBBB C

ATOM 3360 SG CYS B 76 99. .677 62. .021 64. .590 1. .00 74. .65 BBBB S

ATOM 3361 C CYS B 76 97. .574 58. .506 63. .827 1, ,00 76. .09 BBBB C

ATOM 3362 O CYS B 76 97, .737 57, .486 64, .503 1, .00 76, .52 BBBB O

ATOM 3363 N ASP B 77 96, .458 58, .756 63 .148 1, .00 79, .35 BBBB N

ATOM 3364 CA ASP B 77 95. .319 57. .841 63, .163 1. ,00 82. .66 BBBB C

ATOM 3365 CB ASP B 77 94, .200 58. .346 62, .227 1, .00 84. .69 BBBB C

ATOM 3366 CG ASP B 77 94 .631 58 .420 60 .747 1, .00 88, .01 BBBB C

ATOM 3367 ODl ASP B 77 95 .486 59 .263 60 .399 1, .00 89 .27 BBBB O

ATOM 3368 OD2 ASP B 77 94, .109 57, .634 59, .923 1, .00 88, .84 BBBB O

ATOM 3369 C ASP B 77 95 .720 56 .427 62 .757 1 .00 83 .62 BBBB c

ATOM 3370 O ASP B 77 95 .424 55, .466 63. .471 1, .00 85, .07 BBBB 0

ATOM 3371 N SER B 78 96 .405 56 .312 61 .617 1 .00 83 .41 BBBB N

ATOM 3372 CA SER B 78 96, .833 55, .018 61 .082 1, .00 82, .55 BBBB C

ATOM 3373 CB SER B 78 96 .309 54. .846 59 .647 1 .00 82 .76 BBBB C

ATOM 3374 OG SER B 78 96 .830 55. .839 58 .773 1, .00 83, .06 BBBB O

ATOM 3375 C SER B 78 98 .342 54 .769 61 .092 1 .00 81 .59 BBBB c

ATOM 3376 O SER B 78 98 .793 53 .724 60 .630 1 .00 81 .19 BBBB 0

ATOM 3377 N GLY B 79 99 .119 55 .720 61 .604 1 .00 79 .80 BBBB N

ATOM 3378 CA GLY B 79 100 .566 55 .551 61 .654 1 .00 78 .06 BBBB C

ATOM 3379 C GLY B 79 101 .234 55 .293 60 .311 1 .00 76 .48 BBBB C ATOM 3380 O GLY B 79 102.,442 55.,043 60.,238 1.00 76.,24 BBBB O

ATOM 3381 N GLU B 80 100. .448 55, .363 59. .243 1, .00 74. -23 BBBB N

ATOM 3382 CA GLU B 80 100. ,955 55, .125 57. ,904 1. ,00 71, ,78 BBBB C

ATOM 3383 CB GLU B 80 99. 784 54, ,871 56. ,970 1. 00 71, ,81 BBBB C

ATOM 3384 CG GLU B 80 98. ,829 53, .847 57. ,536 1. ,00 74. .03 BBBB C

ATOM 3385 CD GLU B 80 97. ,584 53, .680 56. ,705 1. ,00 75. ,57 BBBB C

ATOM 3386 OEl GLU B 80 96, ,692 52, .907 57, .120 1. ,00 75. ,06 BBBB O

ATOM 3387 OE2 GLU B 80 97, ,498 54, .321 55, .638 1, ,00 74, ,88 BBBB O

ATOM 3388 C GLU B 80 101. ,772 56. .303 57. ,413 1. 00 69. ,91 BBBB C

ATOM 3389 O GLU B 80 101, ,355 57. .454 57. .545 1. ,00 69. .86 BBBB 0

ATOM 3390 N LEU B 81 102. .944 56, .011 56, .859 1. ,00 66, .14 BBBB N

ATOM 3391 CA LEU B 81 103. ,812 57. .056 56. .334 1. 00 62. .93 BBBB C

ATOM 3392 CB LEU B 81 105. .228 56, .528 56. .104 1, ,00 64, ,08 BBBB C

ATOM 3393 CG LEU B 81 106, .067 56, .432 57, .376 1. .00 67, .50 BBBB C

ATOM 3394 GDI LEU B 81 105. .477 55, .362 58. .303 1. .00 69 , .13 BBBB C

ATOM 3395 CD2 LEU B 81 107, ,509 56, .121 57, ,010 1. ,00 65, .33 BBBB C

ATOM 3396 C LEU B 81 103, ,269 57, ,628 55, .031 1. ,00 61. .05 BBBB C

ATOM 3397 O LEU B 81 102, .697 56, .904 54, .197 1. .00 60, .26 BBBB O

ATOM 3398 N VAL B 82 103, .458 58, .935 54, .869 1. ,00 55, ,37 BBBB N

ATOM 3399 CA VAL B 82 102. ,990 59, .648 53. .689 1, ,00 51. .25 BBBB C

ATOM 3400 CB VAL B 82 101, .676 60, .410 53. .974 1, .00 49, .27 BBBB C

ATOM 3401 CGI VAL B 82 100, .544 59, .429 54. .204 1. .00 46. .80 BBBB C

ATOM 3402 CG2 VAL B 82 101. .856 61, .323 55, .188 1. .00 42, ,81 BBBB C

ATOM 3403 C VAL B 82 104, ,007 60, .665 53. .211 1. .00 50, .79 BBBB C

ATOM 3404 O VAL B 82 104 .970 60 .998 53 .907 1, .00 51 .74 BBBB O

ATOM 3405 N ALA B 83 103, .789 61, .153 52. .004 1. ,00 47, .35 BBBB N

ATOM 3406 CA ALA B 83 104, .663 62 .162 51. .447 1. .00 47, .05 BBBB C

ATOM 3407 CB ALA B 83 105, .166 61 .739 50, .071 1. .00 47 .74 BBBB C

ATOM 3408 C ALA B 83 103, .767 63, .379 51. .338 1, .00 45, .25 BBBB C

ATOM 3409 O ALA B 83 102 .613 63 .266 50, .922 1, .00 43 .03 BBBB O

ATOM 3410 N ILE B 84 104 .276 64 .533 51, .742 1, .00 44 .02 BBBB N

ATOM 3411 CA ILE B 84 103, .487 65 .745 51, .665 1, .00 43 .91 BBBB C

ATOM 3412 CB ILE B 84 103 .233 66 .334 53 .061 1 .00 44 .05 BBBB C

ATOM 3413 CG2 ILE B 84 102 .334 67 .546 52, .952 1 .00 42 .76 BBBB C

ATOM 3414 CGI ILE B 84 102, .574 65. .282 53. .953 1. .00 45, .40 BBBB C

ATOM 3415 CD1 ILE B 84 102 .334 65 .761 55, .362 1 .00 45 .47 BBBB C

ATOM 3416 C ILE B 84 104 .215 66 .751 50, .796 1, .00 45 .27 BBBB C

ATOM 3417 O ILE B 84 105 .292 67 .238 51 .144 1 .00 44 .64 BBBB O

ATOM 3418 N LYS B 85 103 .629 67 .038 49 .643 1 .00 45 .00 BBBB N

ATOM 3419 CA LYS B 85 104 .223 67 .981 48, .718 1, .00 44 .83 BBBB C

ATOM 3420 CB LYS B 85 104 .055 67 .454 47 .286 1 .00 44 .12 BBBB C

ATOM 3421 CG LYS B 85 104 .775 68 .248 46 .214 1 .00 47 .61 BBBB C ATOM 3422 CD LYS B 85 104.,557 67.,595 44.,870 1.00 48.,03 BBBB C

ATOM 3423 CE LYS B 85 105. ,123 68. ,415 43. ,725 1. 00 49. .19 BBBB C

ATOM 3424 NZ LYS B 85 105, ,050 67. .616 42. .463 1. 00 50, .17 BBBB N

ATOM 3425 C LYS B 85 103, ,532 69, ,335 48, ,923 1. 00 45. .42 BBBB C

ATOM 3426 0 LYS B 85 102, .313 69, .455 48, .770 1. ,00 43, .58 BBBB 0

ATOM 3427 N LYS B 86 104. .324 70. .337 49. ,296 1. 00 44. .91 BBBB N

ATOM 3428 CA LYS B 86 103. .834 71. .686 49. .553 1. ,00 46, .98 BBBB C

ATOM 3429 CB LYS B 86 104. .431 72. .190 50. .862 1. ,00 47, .76 BBBB C

ATOM 3430 CG LYS B 86 103. .918 73. .531 51. .348 1. ,00 51, .19 BBBB C

ATOM 3431 CD LYS B 86 104. .682 73. ,939 52, .612 1. ,00 54, .18 BBBB c

ATOM 3432 CE LYS B 86 104, ,219 75. ,267 53. .203 1. 00 58, .41 BBBB c

ATOM 3433 NZ LYS B 86 105. .101 75, .714 54, .328 1. ,00 61, .93 BBBB N

ATOM 3434 C LYS B 86 104, .239 72. .600 48. .408 1. 00 48. ,76 BBBB C

ATOM 3435 0 LYS B 86 105. .420 72, ,752 48, .117 1. ,00 50, .13 BBBB O

ATOM 3436 N VAL B 87 103, .258 73, ,213 47, ,756 1, ,00 50, .31 BBBB N

ATOM 3437 CA VAL B 87 103. .540 74, ,099 46, .622 1. ,00 52, .87 BBBB C

ATOM 3438 CB VAL B 87 102. .975 73, .508 45, .288 1, .00 52, .39 BBBB C

ATOM 3439 CGI VAL B 87 103. .334 74, ,420 44, .113 1. ,00 52. .50 BBBB C

ATOM 3440 CG2 VAL B 87 103, .523 72, .105 45 .058 1. .00 52 .88 BBBB C

ATOM 3441 C VAL B 87 102, .990 75. .524 46, .776 1. .00 53, .59 BBBB C

ATOM 3442 0 VAL B 87 101, .882 75, .732 47 .283 1. .00 53 .06 BBBB O

ATOM 3443 N LEU B 88 103, .780 76, .502 46, .341 1, .00 55, .23 BBBB N

ATOM 3444 CA LEU B 88 103, .359 77, .890 46, .396 1. .00 56, ,43 BBBB C

ATOM 3445 CB LEU B 88 104, .554 78. .822 46 .231 1, .00 58. .01 BBBB C

ATOM 3446 CG LEU B 88 104. .192 80, .292 46, .418 1. ,00 61. .95 BBBB C

ATOM 3447 CD1 LEU B 88 103, .667 80, .529 47 .832 1. .00 61 .49 BBBB C

ATOM 3448 CD2 LEU B 88 105. .412 81. .137 46, .148 1, .00 61, .01 BBBB C

ATOM 3449 C LEU B 88 102, .409 78, .043 45 .219 1, .00 57 .84 BBBB c

ATOM 3450 0 LEU B 88 102, .800 77. .868 44, .060 1, .00 58, .02 BBBB 0

ATOM 3451 N GLN B 89 101. .157 78, .356 45, .521 1. .00 58, .38 BBBB N

ATOM 3452 CA GLN B 89 100 .139 78 .488 44 .494 1, .00 58 .22 BBBB C

ATOM 3453 CB GLN B 89 99. .044 77. .439 44, .733 1. .00 58, .04 BBBB C

ATOM 3454 CG GLN B 89 97, .929 77. .442 43 .708 1, .00 56, .06 BBBB c

ATOM 3455 CD GLN B 89 98, ,441 77. .159 42, .314 1. .00 56, .64 BBBB c

ATOM 3456 OEl GLN B 89 99 .062 76 .126 42 .075 1 .00 58 .14 BBBB 0

ATOM 3457 NE2 GLN B 89 98 .186 78 .078 41 .385 1 .00 54 .17 BBBB N

ATOM 3458 C GLN B 89 99, .522 79, .876 44 .470 1, .00 58 .48 BBBB C

ATOM 3459 0 GLN B 89 99 .576 80 .612 45 .452 1 .00 60 .91 BBBB O

ATOM 3460 N ASP B 90 98 .941 80, .232 43 .332 1, .00 59 .65 BBBB N

ATOM 3461 CA ASP B 90 98 .282 81 .519 43 .187 1 .00 58 .03 BBBB C

ATOM 3462 CB AS B 90 98 .615 82, .127 41 .825 1 .00 58 .21 BBBB C

ATOM 3463 CG ASP B 90 98 .046 83 .523 41 .655 1 .00 60 .79 BBBB C ATOM 3464 ODl ASP B 90 98.593 84.283 40.827 1.,00 58.,37 BBBB O

ATOM 3465 OD2 ASP B 90 97.052 83.857 42.339 1. ,00 57. .09 BBBB O

ATOM 3466 C ASP B 90 96.775 81.293 43.328 1. .00 56, .41 BBBB C

ATOM 3467 O ASP B 90 96.175 80.546 42.551 1, .00 55. .42 BBBB O

ATOM 3468 N LYS B 91 96.183 81.929 44.338 1. ,00 57. ,45 BBBB N

ATOM 3469 CA LYS B 91 94.753 81.816 44.630 1. ,00 57, .74 BBBB C

ATOM 3470 CB LYS B 91 94.337 82.846 45.681 1, .00 58, .59 BBBB C

ATOM 3471 CG LYS B 91 94.981 82.716 47.044 1. .00 60. .26 BBBB C

ATOM 3472 CD LYS B 91 94.367 83.746 47.983 1. .00 61. ,80 BBBB C

ATOM 3473 CE LYS B 91 94.986 83.703 49.369 1. .00 65. .84 BBBB C

ATOM 3474 NZ LYS B 91 94.451 84.789 50.250 1. .00 67. ,02 BBBB N

ATOM 3475 C LYS B 91 93.876 82.032 43.410 1. ,00 57. .23 BBBB C

ATOM 3476 O LYS B 91 92.850 81.374 43.237 1. .00 58. .77 BBBB O

ATOM 3477 N ARG B 92 94.280 82.979 42.578 1. .00 57. .87 BBBB N

ATOM 3478 CA ARG B 92 93.531 83.325 41.384 1. .00 60. .09 BBBB C

ATOM 3479 CB ARG B 92 94.154 84.563 40.733 1. .00 62. .05 BBBB C

ATOM 3480 CG ARG B 92 93.928 85.845 41.527 1. .00 65, .09 BBBB C

ATOM 3481 CD ARG B 92 94.810 86.971 41.034 1, .00 66 , .57 BBBB C

ATOM 3482 NE ARG B 92 96.196 86.772 41.439 1, .00 70. .41 BBBB N

ATOM 3483 CZ ARG B 92 97.209 87.547 41.061 1, .00 72, ,98 BBBB C

ATOM 3484 NHl ARG B 92 96.995 88.582 40.258 1, ,00 74, .48 BBBB N

ATOM 3485 NH2 ARG B 92 98.439 87.289 41.489 1, .00 74, .05 BBBB N

ATOM 3486 C ARG B 92 93.418 82.202 40.367 1, ,00 60. .37 BBBB C

ATOM 3487 O ARG B 92 92.456 82.150 39.599 1. .00 63. .26 BBBB O

ATOM 3488 N PHE B 93 94.393 81.301 40.352 1, .00 58, ,47 BBBB N

ATOM 3489 CA PHE B 93 94.361 80.201 39.399 1, .00 56, .67 BBBB C

ATOM 3490 CB PHE B 93 95.580 80.240 38.472 1, .00 58, .93 BBBB C

ATOM 3491 CG PHE B 93 95.781 81.562 37.790 1, .00 59. .99 BBBB C

ATOM 3492 CD1 PHE B 93 96.474 82.591 38.426 1. .00 60, .47 BBBB C

ATOM 3493 CD2 PHE B 93 95.251 81.792 36.526 1, .00 60, .47 BBBB C

ATOM 3494 CEl PHE B 93 96.634 83.830 37.814 1, .00 59 .96 BBBB C

ATOM 3495 CE2 PHE B 93 95.404 83.026 35.907 1, .00 59, ,79 BBBB C

ATOM 3496 CZ PHE B 93 96.098 84.047 36.554 1, .00 60. .12 BBBB C

ATOM 3497 c PHE B 93 94.318 78.860 40.092 1, .00 55 .84 BBBB C

ATOM 3498 0 PHE B 93 94.718 78.726 41.257 1 .00 56 .57 BBBB O

ATOM 3499 N LYS B 94 93.828 77.865 39.361 1, ,00 54, .14 BBBB N

ATOM 3500 CA LYS B 94 93.737 76.510 39.883 1, .00 52 .33 BBBB C

ATOM 3501 CB LYS B 94 92.716 75.682 39.091 1 .00 54 .53 BBBB C

ATOM 3502 CG LYS B 94 91.345 76.309 38.891 1 .00 58 .58 BBBB C

ATOM 3503 CD LYS B 94 90.415 75.292 38.254 1, .00 62, .66 BBBB C

ATOM 3504 CE LYS B 94 89.076 75.895 37.877 1, .00 62 .20 BBBB C

ATOM 3505 NZ LYS B 94 88.194 74.855 37.267 1 .00 64 .40 BBBB N ATOM 3506 C LYS B 94 95,,107 75,.856 39.,743 1.,00 50.,16 BBBB C

ATOM 3507 O LYS B 94 95, ,908 76. .241 38. .886 1. ,00 51. ,65 BBBB O

ATOM 3508 N ASN B 95 95, ,377 74. .873 40. .594 1, ,00 48, .68 BBBB N

ATOM 3509 CA ASN B 95 96. ,638 74. .157 40. ,534 1. ,00 46. .83 BBBB C

ATOM 3510 CB ASN B 95 97. ,088 73. .758 41. ,937 1. ,00 46. ,29 BBBB C

ATOM 3511 CG ASN B 95 98. ,310 72. .878 41. .923 1. ,00 44. ,68 BBBB C

ATOM 3512 ODl ASN B 95 98. ,233 71. ,695 41. ,600 1. ,00 44. .39 BBBB O

ATOM 3513 ND2 ASN B 95 99. ,452 73. .451 42. ,261 1. ,00 45. .11 BBBB N

ATOM 3514 C ASN B 95 96. ,416 72. ,924 39. ,663 1. ,00 46. ,41 BBBB C

ATOM 3515 O ASN B 95 95. .574 72. .073 39, .970 1. ,00 46. .87 BBBB O

ATOM 3516 N ARG B 96 97, .163 72, .850 38. .562 1, .00 45, .90 BBBB N

ATOM 3517 CA ARG B 96 97. .056 71. .740 37. .621 1. ,00 42, ,34 BBBB C

ATOM 3518 CB ARG B 96 98. .131 71, .849 36. .545 1. .00 44, .55 BBBB C

ATOM 3519 CG ARG B 96 97, .811 72, .761 35. .401 1. .00 41, .44 BBBB C

ATOM 3520 CD ARG B 96 98, .939 72, .724 34, .403 1. .00 40, .59 BBBB C

ATOM 3521 NE ARG B 96 98, .743 73, .704 33. .347 1. .00 43, ,09 BBBB N

ATOM 3522 CZ ARG B 96 99, .712 74, .155 32. .563 1. .00 43, .20 BBBB C

ATOM 3523 NHl ARG B 96 100, .952 73, .707 32, .718 1. .00 43, .24 BBBB N

ATOM 3524 NH2 ARG B 96 99, .441 75, .070 31, .643 1, .00 42, .42 BBBB N

ATOM 3525 C ARG B 96 97, .199 70, .392 38. .294 1, .00 44, .21 BBBB C

ATOM 3526 O ARG B 96 96. .344 69, .513 38. .148 1. .00 41, .70 BBBB O

ATOM 3527 N GLU B 97 98, .304 70, .231 39. .015 1, ,00 45, .72 BBBB N

ATOM 3528 CA GLU B 97 98, ,583 68, .986 39, .703 1, ,00 46, .49 BBBB C

ATOM 3529 CB GLU B 97 99, .816 69. .152 40, .593 1, .00 45, .47 BBBB C

ATOM 3530 CG GLU B 97 100, .353 67, .851 41, .159 1 .00 46 .99 BBBB C

ATOM 3531 CD GLU B 97 101, ,793 67, .985 41, .615 1, .00 50, .13 BBBB C

ATOM 3532 OEl GLU B 97 102, .350 67, .005 42, .167 1, .00 52, .92 BBBB O

ATOM 3533 OE2 GLU B 97 102, .372 69, .077 41, .413 1, .00 50, .22 BBBB O

ATOM 3534 C GLU B 97 97, .382 68, .518 40, .518 1, .00 45 .99 BBBB C

ATOM 3535 O GLU B 97 96, .978 67, .359 40, .421 1, .00 45, .53 BBBB O

ATOM 3536 N LEU B 98 96, .793 69, .417 41, .298 1, .00 45 .35 BBBB N

ATOM 3537 CA LEU B 98 95, .643 69, ,043 42. .110 1. .00 46, .52 BBBB C

ATOM 3538 CB LEU B 98 95, .233 70, .201 43 .026 1 .00 48 .24 BBBB C

ATOM 3539 CG LEU B 98 94, .269 69, .945 44, .192 1, .00 45, .35 BBBB C

ATOM 3540 CD1 LEU B 98 93, .967 71, .255 44, .900 1 .00 46 .97 BBBB C

ATOM 3541 CD2 LEU B 98 92, .989 69. .367 43. .693 1, .00 46, .74 BBBB C

ATOM 3542 C LEU B 98 94 .473 68 .649 41 .216 1 .00 47 .79 BBBB C

ATOM 3543 O LEU B 98 93, .813 67, .629 41, .442 1 .00 48 .15 ^' BBBB O

ATOM 3544 N GLN B 99 94, .211 69, .452 40, .195 1 .00 48 .01 BBBB N

ATOM 3545 CA GLN B 99 93, .107 69, ,149 39, .299 1, .00 50, .20 BBBB C

ATOM 3546 CB GLN B 99 92 .982 70 .248 38 .246 1 .00 51 .13 BBBB C

ATOM 3547 CG GLN B 99 92 .414 71 .506 38 .861 1 .00 53 .10 BBBB C ATOM 3548 CD GLN B 99 91..186 71..196 39..725 1..00 54,.96 BBBB C

ATOM 3549 OEl GLN B 99 90. .112 70, ,852 39. .207 1. ,00 54. .84 BBBB O

ATOM 3550 NE2 GLN B 99 91. .349 71. .293 41, .048 1, .00 51, .69 BBBB N

ATOM 3551 C GLN B 99 93. .238 67. .776 38. .658 1. .00 51, ,44 BBBB C

ATOM 3552 O GLN B 99 92, .309 66 , .962 38. .721 1, .00 51, .01 BBBB O

ATOM 3553 N ILE B 100 94, .400 67, .515 38, .064 1, .00 51 .30 BBBB N

ATOM 3554 CA ILE B 100 94. .664 66, .233 37. .425 1. .00 50. .40 BBBB C

ATOM 3555 CB ILE B 100 96. .076 66. .196 36, .828 1, ,00 52, .34 BBBB C

ATOM 3556 CG2 ILE B 100 96, .433 64, .780 36, .416 1, .00 53. .12 BBBB C

ATOM 3557 CGI ILE B 100 96 . .154 67. .147 35. .637 1, .00 52, .62 BBBB C

ATOM 3558 CD1 ILE B 100 97, .515 67, .220 35, .006 1, .00 57, .44 BBBB C

ATOM 3559 C ILE B 100 94. .532 65, ,103 38, .428 1. .00 52. .39 BBBB C

ATOM 3560 O ILE B 100 93. .841 64, .114 38, ,172 1, .00 52, ,98 BBBB O

ATOM 3561 N MET B 101 95. .192 65, .261 39, .572 1, .00 52, .25 BBBB N

ATOM 3562 CA MET B 101 95. ,171 64, .247 40. .620 1. .00 54, .82 BBBB C

ATOM 3563 CB MET B 101 96, .038 64, .689 41, .803 1, .00 55. .98 BBBB C

ATOM 3564 CG MET B 101 97, .540 64. .677 41, ,526 1, .00 59. .80 BBBB C

ATOM 3565 SD MET B 101 98, .163 63. .050 41. .011 1. .00 63. .58 BBBB S

ATOM 3566 CE MET B 101 98, .717 62, .361 42, .570 1. .00 62, .30 BBBB C

ATOM 3567 C MET B 101 93. .775 63, .879 41, .118 1, .00 55, .13 BBBB C

ATOM 3568 O MET B 101 93, .536 62, .739 41, .521 1, .00 55 .38 BBBB O

ATOM 3569 N ARG B 102 92. .849 64, .831 41. .094 1. .00 56, .16 BBBB N

ATOM 3570 CA ARG B 102 91. .500 64, .543 41. .559 1. .00 55. ,88 BBBB C

ATOM 3571 CB ARG B 102 90. .767 65, .833 41. ,906 1. .00 57, .41 BBBB C

ATOM 3572 CG ARG B 102 91. .395 66, .606 43. .036 1. .00 61, .78 BBBB C

ATOM 3573 CD ARG B 102 90. .435 67, .648 43. ,561 1, .00 63, .61 BBBB C

ATOM 3574 NE ARG B 102 89. ,410 67, .049 44, .403 1, .00 65, .96 BBBB N

ATOM 3575 CZ ARG B 102 88, .455 67. .738 45, .015 1. .00 68. .81 BBBB C

ATOM 3576 NHl ARG B 102 88. .397 69, .059 44, .873 1. .00 66, .56 BBBB N

ATOM 3577 NH2 ARG B 102 87, .563 67, .106 45, .772 1. .00 67, .71 BBBB N

ATOM 3578 C ARG B 102 90. .688 63, .753 40, ,542 1, .00 54, .95 BBBB C

ATOM 3579 O ARG B 102 89, .677 63 .148 40 .893 1, .00 54 .45 BBBB O

ATOM 3580 N LYS B 103 91. ,127 63, .762 39. .285 1. .00 55, .59 BBBB N

ATOM 3581 CA LYS B 103 90, .429 63, .027 38, .224 1, .00 56, .53 BBBB C

ATOM 3582 CB LYS B 103 90, .769 63 .585 36, .835 1, .00 58 .58 BBBB C

ATOM 3583 CG LYS B 103 90, .375 65 .021 36, .551 1, .00 63. .01 BBBB C

ATOM 3584 CD LYS B 103 90 .653 65 .339 35 .083 1, .00 65 .82 BBBB C

ATOM 3585 CE LYS B 103 90, .526 66 .821 34, .785 1. ,00 66 , .78 BBBB C

ATOM 3586 NZ LYS B 103 91, .045 67 .103 33, .424 1. .00 68, .46 BBBB N

ATOM 3587 C LYS B 103 90 .852 61 .561 38, .227 1. ,00 55 .97 BBBB C

ATOM 3588 O LYS B 103 90, .042 60 .659 37, .983 1. ,00 55, .64 BBBB O

ATOM 3589 N LEU B 104 92 .136 61 .350 38, .508 1. ,00 55 .57 BBBB N ATOM 3590 CA LEU B 104 92..750 60,,037 38.,494 1.,00 51.,30 BBBB C

ATOM 3591 CB LEU B 104 94. .258 60. ,208 38. ,389 1. ,00 45. ,83 BBBB C

ATOM 3592 CG LEU B 104 94. ,643 61. ,168 37. ,269 1. ,00 43. ,72 BBBB C

ATOM 3593 CD1 LEU B 104 96. .134 61. .353 37. ,257 1. ,00 42. ,91 BBBB C

ATOM 3594 CD2 LEU B 104 94. .157 60, ,634 35, ,942 1, ,00 39, ,41 BBBB C

ATOM 3595 C LEU B 104 92, .431 59. .075 39, .619 1. .00 51. .90 BBBB C

ATOM 3596 O LEU B 104 92, .549 59. ,398 40, .802 1. .00 52. .82 BBBB 0

ATOM 3597 N ASP B 105 92, ,030 57. ,877 39. ,208 1, ,00 53. ,01 BBBB N

ATOM 3598 CA ASP B 105 91. .711 56. ,772 40. ,101 1, .00 55. .28 BBBB C

ATOM 3599 CB ASP B 105 90. .209 56. ,721 40. ,382 1, .00 57, ,10 BBBB C

ATOM 3600 CG ASP B 105 89, .827 55, .562 41. .291 1, .00 60. .91 BBBB C

ATOM 3601 ODl ASP B 105 88. .634 55, .432 41, .635 1, ,00 60, .43 BBBB O

ATOM 3602 OD2 ASP B 105 90. .724 54, .775 41, .662 1, .00 64, .68 BBBB O

ATOM 3603 C ASP B 105 92. ,144 55. .521 39. ,334 1, .00 55, .32 BBBB C

ATOM 3604 O ASP B 105 91, .397 55, ,012 38, .504 1. .00 56. .47 BBBB O

ATOM 3605 N HIS B 106 93. .350 55, .028 39. ,599 1. .00 53. .80 BBBB N

ATOM 3606 CA HIS B 106 93, .852 53, ,866 38, .865 1, .00 51, .90 BBBB C

ATOM 3607 CB HIS B 106 94, .458 54, ,343 37. .538 1, .00 50, .01 BBBB C

ATOM 3608 CG HIS B 106 94. .767 53, .247 36. .570 1. .00 50. .18 BBBB C

ATOM 3609 CD2 HIS B 106 94, ,046 52. .738 35. .543 1. .00 47. .61 BBBB C

ATOM 3610 NDl HIS B 106 95, .956 52. .549 36. .587 1. .00 49. .48 BBBB N

ATOM 3611 CEl HIS B 106 95, .953 51, .658 35, .612 1, .00 48, .16 BBBB C

ATOM 3612 NE2 HIS B 106 94, .805 51, .753 34, .964 1, .00 46, .73 BBBB N

ATOM 3613 C HIS B 106 94, .886 53, .117 39, .691 1, ,00 50, ,17 BBBB C

ATOM 3614 O HIS B 106 95, .616 53, .719 40. .486 1, .00 50, .19 BBBB O

ATOM 3615 N CYS B 107 94, .951 51, .803 39. .494 1, .00 49. .52 BBBB N

ATOM 3616 CA CYS B 107 95 .882 50, .959 40, .253 1, .00 51, .28 BBBB C

ATOM 3617 CB CYS B 107 95, .571 49, .467 40, .007 1, .00 54, .84 BBBB C

ATOM 3618 SG CYS B 107 95. .882 48. .832 38, .309 1, .00 65, .95 BBBB S

ATOM 3619 C CYS B 107 97. .373 51, .226 40, .004 1, .00 47. .14 BBBB C

ATOM 3620 O CYS B 107 98, .219 50, ,880 40, ,833 1, .00 45, .94 BBBB O

ATOM 3621 N ASN B 108 97 .692 51 .852 38, .878 1, .00 44, .46 BBBB N

ATOM 3622 CA ASN B 108 99. .080 52, .125 38, .554 1, .00 43, .31 BBBB C

ATOM 3623 CB ASN B 108 99 .394 51 .555 37 .175 1 .00 40 .28 BBBB C

ATOM 3624 CG ASN B 108 99. .301 50. .035 37, .159 1, .00 41, .90 BBBB C

ATOM 3625 ODl ASN B 108 98, .685 49, .441 36, .271 1. ,00 42, .72 BBBB O

ATOM 3626 ND2 ASN B 108 99 .911 49 .399 38 .155 1, .00 36, .34 BBBB N

ATOM 3627 C ASN B 108 99 .433 53 .594 38 .649 1, .00 43, .37 BBBB C

ATOM 3628 O ASN B 108 100 .454 54 .038 38 .129 1 .00 43 .21 BBBB 0

ATOM 3629 N ILE B 109 98 .579 54 .344 39 .334 1 .00 43 .28 BBBB N

ATOM 3630 CA ILE B 109 98, .808 55 .766 39, .543 1, .00 42, .33 BBBB C

ATOM 3631 CB ILE B 109 97 .658 56 .644 38 .948 1 .00 41 .85 BBBB C ATOM 3632 CG2 ILE B 109 98,.094 58,,104 38,.950 1.,00 38,.66 BBBB C

ATOM 3633 CGI ILE B 109 97, .292 56, .203 37, .520 1. .00 38, ,52 BBBB C

ATOM 3634 GDI ILE B 109 97, .987 56. .972 36, .420 1, .00 34, .36 BBBB C

ATOM 3635 C ILE B 109 98, .842 55, .961 41, .067 1, .00 42, .53 BBBB C

ATOM 3636 0 ILE B 109 98, ,041 55, .357 41, .799 1, .00 42, .64 BBBB O

ATOM 3637 N VAL B 110 99, .772 56, .780 41, .550 1. .00 40. .91 BBBB N

ATOM 3638 CA VAL B 110 99, .851 57, .027 42, .984 1. ,00 42, ,15 BBBB C

ATOM 3639 CB VAL B 110 101. .039 57. .961 43, .349 1, ,00 43, ,00 BBBB C

ATOM 3640 CGI VAL B 110 100, .818 59, .358 42, .765 1. .00 41, .56 BBBB c

ATOM 3641 CG2 VAL B 110 101. .208 58, .014 44, .876 1, ,00 43, ,78 BBBB c

ATOM 3642 C VAL B 110 98, .539 57. .674 43, .411 1. ,00 43. ,90 BBBB c

ATOM 3643 0 VAL B 110 97. .966 58, .478 42, .674 1. ,00 44. ,29 BBBB O

ATOM 3644 N ARG B 111 98, .054 57, .332 44, .599 1. ,00 47. .03 BBBB N

ATOM 3645 CA ARG B 111 96, .790 57, .900 45, .053 1. .00 48, .67 BBBB C

ATOM 3646 CB ARG B 111 95, .958 56, .836 45, .757 1. .00 52, .96 BBBB C

ATOM 3647 CG ARG B 111 94. .558 57. .300 46, .121 1. .00 65, ,22 BBBB C

ATOM 3648 CD ARG B 111 93, .984 56, .398 47, .185 1. .00 73. .91 BBBB C

ATOM 3649 NE ARG B 111 95. .017 56, .086 48, .171 1. .00 80. .84 BBBB N

ATOM 3650 CZ ARG B 111 94, ,823 55, .348 49, .258 1. .00 84, .14 BBBB C

ATOM 3651 NHl ARG B 111 93, ,620 54, .842 49, .509 1. .00 86, .82 BBBB N

ATOM 3652 NH2 ARG B 111 95. ,833 55. .107 50, .092 1. .00 85, .01 BBBB N

ATOM 3653 C ARG B 111 96. ,925 59. .105 45, .970 1. ,00 46. .15 BBBB C

ATOM 3654 0 ARG B 111 97. ,702 59. .092 46, .921 1. .00 47. .47 BBBB O

ATOM 3655 N LEU B 112 96, ,167 60, ,152 45, .662 1. .00 43. .89 BBBB N

ATOM 3656 CA LEU B 112 96. ,157 61, ,364 46, .475 1. .00 43, .20 BBBB C

ATOM 3657 CB LEU B 112 95. ,596 62. .542 45, .664 1. .00 41. .38 BBBB C

ATOM 3658 CG LEU B 112 95. .374 63. .885 46, ,373 1. ,00 44. .53 BBBB C

ATOM 3659 CD1 LEU B 112 96. .710 64. .472 46, .799 1. .00 40. .33 BBBB C

ATOM 3660 CD2 LEU B 112 94. ,660 64. .847 45. ,443 1. ,00 44. ,11 BBBB C

ATOM 3661 C LEU B 112 95, ,263 61, .100 47, .700 1. .00 42, .25 BBBB C

ATOM 3662 0 LEU B 112 94. .039 61, .011 47, .583 1. .00 38. .95 BBBB O

ATOM 3663 N ARG B 113 95, .868 60. .963 48, .874 1. .00 43. .80 BBBB N

ATOM 3664 CA ARG B 113 95, .080 60. .711 50, .076 1. .00 47. .62 BBBB c

ATOM 3665 CB ARG B 113 96. .011 60. .284 51, .218 1. .00 50. .81 BBBB c

ATOM 3666 CG ARG B 113 96, .814 59, .033 50, .860 1, .00 54, ,40 BBBB c

ATOM 3667 CD ARG B 113 97, .279 58, .271 52, .082 1, .00 60, .99 BBBB c

ATOM 3668 NE ARG B 113 96, ,167 57, ,909 52, .960 1, .00 64, ,67 BBBB N

ATOM 3669 CZ ARG B 113 96, .310 57, .260 54, .112 1, .00 67. .91 BBBB C

ATOM 3670 NHl ARG B 113 97. .522 56, .896 54, .518 1, .00 65. .23 BBBB N

ATOM 3671 NH2 ARG B 113 95, .250 56, .996 54, .873 1, .00 70, .35 BBBB N

ATOM 3672 C ARG B 113 94. .226 61, .932 50, .457 1, ,00 46, .60 BBBB C

ATOM 3673 0 ARG B 113 92, .994 61, .846 50, .508 1, ,00 46, .11 BBBB O ATOM 3674 N TYR B 114 94.877 63.061 50.717 1.00 44,,05 BBBB N

ATOM 3675 CA TYR B 114 94.171 64.294 51.049 1. 00 44. .91 BBBB C

ATOM 3676 CB TYR B 114 94.060 64.514 52.559 1. 00 48. .04 BBBB C

ATOM 3677 CG TYR B 114 93.696 63.303 53.370 1. 00 50. ,27 BBBB C

ATOM 3678 CD1 TYR B 114 94.683 62.410 53.789 1, ,00 53, .51 BBBB C

ATOM 3679 CEl TYR B 114 94.367 61.310 54.573 1. ,00 57. .10 BBBB C

ATOM 3680 CD2 TYR B 114 92.373 63.065 53.749 1. ,00 51. .68 BBBB C

ATOM 3681 CE2 TYR B 114 92.040 61.967 54.533 1, ,00 54, .87 BBBB C

ATOM 3682 CZ TYR B 114 93.044 61.091 54.948 1, .00 57, .54 BBBB C

ATOM 3683 OH TYR B 114 92.745 60.015 55.764 1. ,00 60, .14 BBBB O

ATOM 3684 C TYR B 114 94.952 65.462 50.496 1. ,00 44, .00 BBBB C

ATOM 3685 O TYR B 114 95.960 65.299 49.810 1, .00 43, .12 BBBB O

ATOM 3686 N PHE B 115 94.465 66.651 50.804 1. ,00 40, ,43 BBBB N

ATOM 3687 CA PHE B 115 95.138 67.866 50.410 1. ,00 40. ,00 BBBB C

ATOM 3688 CB PHE B 115 94.986 68.143 48.902 1, ,00 37, .16 BBBB C

ATOM 3689 CG PHE B 115 93.580 68.466 48.450 1. ,00 40. ,31 BBBB C

ATOM 3690 GDI PHE B 115 93.151 69.789 48.355 1. ,00 39. .48 BBBB C

ATOM 3691 CD2 PHE B 115 92.710 67.453 48.044 1, ,00 41, .91 BBBB C

ATOM 3692 CEl PHE B 115 91.880 70.101 47.856 1. ,00 43, .76 BBBB C

ATOM 3693 CE2 PHE B 115 91.435 67.758 47.544 1. .00 45, .86 BBBB C

ATOM 3694 CZ PHE B 115 91.023 69.086 47.449 1, ,00 41, .87 BBBB C

ATOM 3695 C PHE B 115 94.554 68.968 51.272 1. ,00 43, .34 BBBB C

ATOM 3696 O PHE B 115 93.391 68.907 51.681 1, ,00 45, ,36 BBBB O

ATOM 3697 N PHE B 116 95.383 69.949 51.593 1, .00 42, .61 BBBB N

ATOM 3698 CA PHE B 116 94.945 71.046 52.421 1, .00 42, .33 BBBB C

ATOM 3699 CB PHE B 116 95.082 70.655 53.890 1, .00 41. .71 BBBB C

ATOM 3700 CG PHE B 116 96.487 70.345 54.297 1. .00 44, .81 BBBB C

ATOM 3701 CD1 PHE B 116 97.385 71.372 54.597 1. .00 45, .06 BBBB C

ATOM 3702 CD2 PHE B 116 96.930 69.024 54.355 1. .00 43, .91 BBBB C

ATOM 3703 CEl PHE B 116 98.710 71.084 54.950 1, .00 44, .94 BBBB C

ATOM 3704 CE2 PHE B 116 98.255 68.723 54.706 1, ,00 41, .12 BBBB C

ATOM 3705 CZ PHE B 116 99.147 69.757 55.005 1 .00 42 .49 BBBB C

ATOM 3706 C PHE B 116 95.791 72.265 52.103 1 .00 43 .26 BBBB C

ATOM 3707 O PHE B 116 96.822 72.166 51.439 1, .00 38 .60 BBBB O

ATOM 3708 N TYR B 117 95.353 73.421 52.580 1, .00 43, .26 BBBB N

ATOM 3709 CA TYR B 117 96.082 74.638 52.316 1 .00 42 .92 BBBB C

ATOM 3710 CB TYR B 117 95.133 75.678 51.726 1 .00 42 .85 BBBB C

ATOM 3711 CG TYR B 117 94.615 75.273 50.364 1 .00 39 .77 BBBB C

ATOM 3712 CD1 TYR B 117 93.567 74.359 50.237 1 .00 37 .70 BBBB C

ATOM 3713 CEl TYR B 117 93.115 73.951 48.985 1 .00 34 .09 BBBB C

ATOM 3714 CD2 TYR B 117 95.202 75.769 49.199 1 .00 40 .18 BBBB C

ATOM 3715 CE2 TYR B 117 94.760 75.365 47.940 1 .00 37 .78 BBBB C ATOM 3716 CZ TYR B 117 93..713 74..457 47..839 1.,00 39,.00 BBBB C

ATOM 3717 OH TYR B 117 93, .249 74. .080 46, .589 1. .00 38, .07 BBBB O

ATOM 3718 C TYR B 117 96. .795 75. .200 53. .524 1. ,00 43. .42 BBBB C

ATOM 3719 0 TYR B 117 96, .406 74. .953 54, .657 1. ,00 42, .56 BBBB O

ATOM 3720 N SER B 118 97. .874 75, .925 53. .258 1. .00 48, .11 BBBB N

ATOM 3721 CA SER B 118 98, ,660 76, .581 54, .291 1. .00 53, .12 BBBB C

ATOM 3722 CB SER B 118 100, ,132 76. ,193 54, .216 1. ,00 55, .14 BBBB C

ATOM 3723 OG SER B 118 100, ,373 75, .004 54, .930 1. .00 60, .10 BBBB O

ATOM 3724 C SER B 118 98, ,552 78, .044 53, .971 1. .00 56, .90 BBBB C

ATOM 3725 0 SER B 118 98, .293 78, .417 52, .829 1. .00 55, .67 BBBB O

ATOM 3726 N SER B 119 98, .749 78. .880 54, .977 1. .00 60, .51 BBBB N

ATOM 3727 CA SER B 119 98. .684 80. .309 54, .747 1. .00 62, .81 BBBB C

ATOM 3728 CB SER B 119 98. ,713 81. .063 56, .083 1. .00 63, .85 BBBB C

ATOM 3729 OG SER B 119 98. .292 82. .409 55. .924 1. .00 63, .48 BBBB 0

ATOM 3730 C SER B 119 99, ,913 80, .647 53. .909 1. .00 63, .89 BBBB c

ATOM 3731 0 SER B 119 101. ,032 80. .260 54, .260 1. .00 64, .88 BBBB 0

ATOM 3732 N GLY B 120 99, .701 81. .332 52, .786 1. .00 66. .27 BBBB N

ATOM 3733 CA GLY B 120 100, .817 81, .709 51, .939 1, .00 69, .98 BBBB C

ATOM 3734 C GLY B 120 101 .668 82 .720 52 .682 1, .00 72 .80 BBBB C

ATOM 3735 0 GLY B 120 102 .138 82 .457 53 .784 1, .00 75 .28 BBBB O

ATOM 3736 N GLU B 121 101 .865 83 .885 52 .085 1, .00 74 .56 BBBB N

ATOM 3737 CA GLU B 121 102, .651 84 .939 52 .710 1, .00 77 .58 BBBB C

ATOM 3738 CB GLU B 121 104, .147 84, .675 52 .514 1, .00 81, .04 BBBB C

ATOM 3739 CG GLU B 121 104, .643 83, .511 53, .363 1, .00 85, .01 BBBB c

ATOM 3740 CD GLU B 121 105, .905 82, .866 52, .829 1, .00 88, .41 BBBB c

ATOM 3741 OEl GLU B 121 106, .321 81, .822 53, .386 1. .00 88, .92 BBBB O

ATOM 3742 OE2 GLU B 121 106, .482 83, .399 51, .856 1. .00 91, .28 BBBB O

ATOM 3743 C GLU B 121 102, ,225 86, .247 52, .070 1. .00 77, .73 BBBB c

ATOM 3744 0 GLU B 121 101 .905 87 .213 52 .761 1, .00 75 .61 BBBB 0

ATOM 3745 N LYS B 122 102 .210 86 .271 50 .744 1, .00 78 .19 BBBB N

ATOM 3746 CA LYS B 122 101, .768 87 .455 50 .037 1, .00 81 .11 BBBB C

ATOM 3747 CB LYS B 122 102. .401 87, .511 48, .650 1, .00 81, .98 BBBB C

ATOM 3748 CG LYS B 122 103, .919 87, .458 48, .697 1, .00 84, .11 BBBB C

ATOM 3749 CD LYS B 122 104, ,532 87, .696 47, .336 1. .00 86, .07 BBBB C

ATOM 3750 CE LYS B 122 106, .041 87 .554 47, .387 1, .00 87, .12 BBBB c

ATOM 3751 NZ LYS B 122 106, .631 87, .768 46, .039 1, .00 87, .59 BBBB N

ATOM 3752 C LYS B 122 100, .253 87. .306 49, .947 1, ,00 82, .66 BBBB c

ATOM 3753 0 LYS B 122 99, .723 86, .210 50, .140 1. .00 82, .50 BBBB O

ATOM 3754 N LYS B 123 99, .557 88, .403 49, .674 1, .00 83, .35 BBBB N

ATOM 3755 CA LYS B 123 98 .100 88 .371 49 .580 1, .00 84, .07 BBBB C

ATOM 3756 CB LYS B 123 97 .558 89 .802 49 .455 1, .00 84, .74 BBBB C

ATOM 3757 CG LYS B 123 98, .045 90 .545 48 .209 1, ,00 87, .39 BBBB C fc fc fc c fc c fc fc fc fc fc fc fc fc fc fc t-3 t-3 δ t-3 δ Hi t-3 δ ι-3 δ δ f t-3 t-3 ι-3 δ δ cf ι-3 H t-3 δ t-3 δ f

H δ fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc t-3 t-3 H t-3 t-3 ι-3 Hi H t-3 H t-3 ι-3 t-3 t-3 H t-3 t-3 H t-3 t-3 Hi ι-3 t-3 t-3 Hi H H d d d d d d d d d d Ω d d d d d d d d d d d d d d d d d Ω d d d d d d d d d d o d d

2 2 2 3 2 2 3 3 3 2 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2

S3 d Ω d Ω Ω Ω Ω Ω Ω Ω p S3 d Ω Ω Ω Ω p S3 d Ω d d Ω Ω Ω p S3 d Ω d d Ω Ω i N CO a CO α Ω X fc 6 61 03 f X to to c α Ω ω Ω 03 to fc O ϋ to H 9 X d Ω a Ω ff 1 N to D to to tr* t-3 t-3 Hj H ι-3 t-3 H t-3 t-3 H t-3 <! <S < < <S Ω Ω Ω Ω Ω Ω Ω Ω Ω f

CO Ki Ki Ki fc fc c fc fc fc

Ki Ki fc fc tr* tr* tr* tr* tr fc s B fc P £ δ X tr* ir* X X tr* tr* ir* ir* cn CD cn cn n cn cn cn Ki Ki Ki

G to to td to to to to X to to X to tr* ir* X G G G G G G G G 13 13 13 13 13 13 13 cn cn ω cn c ω ω 03 03 03 03 to 03 X to X X 03 to 03 03 03 03 to X X to to 03 X to 03 ω 03 03 03 03 to 03 to to 03 03 to 03 03 03

H _-> H H to to to to to to to to to to to to to to to to to to to to to to to to

-o en en cn cn en in in in in in in in in rf_* rf* rf* rf_* rf_* rf_* rf_* rf_* oo to ω

H

CO vo vo o o o o o o o vo o vo vo o o o vo vo vo vo vo vo vo vo σ, vo in rf_* rf_* to to H o vo o cn to oo o oo en

H> tn tn co in rf_* oo tπ t cn en to rf* to rf* t H en rf* tπ σ_ t

H vo in vo to φ- rf* ω in (-^» vo t in in to en in -o o vo en rf* in o rf_* en tπ rf* tπ rf* rf* o tπ o rf_* tn in H rf_* cn cn tn ιn rf_* cn H en in cn rf*

to tπ rf* in in rf_* rf* in LΠ in in rf* rf* rf_* rf* rf_* rf* rf* rf_* rf* rf* rf_* rf_* rf* rf_* rf_* rf* rf_* rf* rf* rf_* rf* o vo σ o vo H H vo vo vo in rf_* rf_* rf_* rf* en tπ in in o o o O t to to t in to rf_* cn vo to rf_* rf* tπ o o in tπ rf* o to en to to o o o tπ o ω in rf* in O o in rf_* v in to rf* to o in > in to o to oo in σ. rf* o rf_* o rf_*

H H H¹ H H H H H> H H H H o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o rf_* rf* LΠ tn in in in tπ iπ in in in in en cn cn cn vo to in 00 in to H en vo oo o rf* σ. to vo oo rf* cn rf* o o rf* H o m m to o vo rf* to o rf* rf_* tn en o to vo en en vo σ. in vo en o

ω ω ω w ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω od ro ω ω ω to ω ω ω ω w ω ω ω ω ω ω ω ω ω ω ω ω

03 03 t0 03 00 03 03 03 03 03 03 03 03 03 03 ro ω ω^J 03 O3 tO 0L) 03 U3 03 O3 O3 D3 D3 03 O3 03 O3 O3 03 O3 O3 ϋ3 03 D3 03 03

03 O -3_ _3 0-3 0-3- O_3- 0-3 0-3- O-3- 6-d W-—03 O_3- O-3 0-3- 03 03 03 03 03 03 03 03 03 X X W X 03 03 03 03 03 03 03 03 03 03 tfl 03 03 03 03 ω ω ω ω ω ω ω ω ω ω ω ω ro ω ω ω ω w ω ω ω ro ω ω os ω ω ω ω ω ω ω ω ω ω rø ω ω tø

-3 0 Ω 0 Ω Ω Ω Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω d d Ω Ω Ω Ω S3 d Ω d d Ω Ω Ω S3 d O S3 Ω Ω

ATOM 3800 CA LEU B 128 98.,762 73..687 48,,534 1.00 39.,30 BBBB C

ATOM 3801 CB LEU B 128 98. ,385 73. .523 47. ,063 1. 00 38, ,48 BBBB C

ATOM 3802 CG LEU B 128 97. ,702 72, .195 46. ,725 1. ,00 39, .49 BBBB C

ATOM 3803 CD1 LEU B 128 96. ,443 72. .024 47. ,574 1. ,00 37. ,14 BBBB C

ATOM 3804 CD2 LEU B 128 97, .382 72, .146 45, .241 1, .00 37, .73 BBBB C

ATOM 3805 C LEU B 128 99. .582 72. .497 49. .002 1. ,00 36. .58 BBBB c

ATOM 3806 O LEU B 128 100. ,744 72, .359 48. .634 1. ,00 36, .74 BBBB 0

ATOM 3807 N ASN B 129 98, ,994 71, ,642 49. .825 1, ,00 36, .19 BBBB N

ATOM 3808 CA ASN B 129 99. ,725 70. .483 50. .307 1, ,00 37. .99 BBBB C

ATOM 3809 CB ASN B 129 99. .820 70, .491 51, .837 1. .00 39, .30 BBBB C

ATOM 3810 CG ASN B 129 100. ,315 71. .818 52. ,388 1. ,00 42. ,42 BBBB C

ATOM 3811 ODl ASN B 129 99. .541 72, .766 52, .525 1. ,00 45, .36 BBBB O

ATOM 3812 ND2 ASN B 129 101. .608 71, .895 52, .701 1. ,00 39, .32 BBBB N

ATOM 3813 C ASN B 129 99. ,087 69. .186 49. .849 1, .00 38, .81 BBBB C

ATOM 3814 O ASN B 129 97. .936 68, ,897 50. .174 1. ,00 38. .15 BBBB O

ATOM 3815 N LEU B 130 99. .854 68. .404 49. .097 1. ,00 39. . 69 BBBB N

ATOM 3816 CA LEU B 130 99. .372 67. .134 48. .590 1. ,00 39, .22 BBBB C

ATOM 3817 CB LEU B 130 99. .800 66. .960 47, .143 1. .00 38. .02 BBBB C

ATOM 3818 CG LEU B 130 99, .260 68. .024 46, .186 1, .00 41 .88 BBBB C

ATOM 3819 GDI LEU B 130 99, .743 69, .400 46, ,583 1. .00 44, .99 BBBB C

ATOM 3820 CD2 LEU B 130 99. .739 67, .710 44, .783 1. .00 46, ,53 BBBB C

ATOM 3821 C LEU B 130 99, .907 65, .992 49. ,441 1. .00 40. .79 BBBB C

ATOM 3822 O LEU B 130 101. .118 65, .773 49. ,515 1. ,00 40, ,53 BBBB 0

ATOM 3823 N VAL B 131 98, .984 65, .282 50. ,087 1. .00 39, .73 BBBB N

ATOM 3824 CA VAL B 131 99, .301 64, .147 50. ,956 1. .00 40, ,23 BBBB C

ATOM 3825 CB VAL B 131 98, .358 64, .125 52, .164 1, .00 38, .29 BBBB C

ATOM 3826 CGI VAL B 131 98, .614 62, .886 53, .003 1. .00 34, .03 BBBB C

ATOM 3827 CG2 VAL B 131 98, .544 65. .394 52. ,969 1, .00 30, .49 BBBB C

ATOM 3828 C VAL B 131 99 .193 62 .809 50, .206 1, .00 43 .77 BBBB C

ATOM 3829 O VAL B 131 98. .102 62, ,261 50, .016 1, .00 43, .68 BBBB O

ATOM 3830 N LEU B 132 100, .346 62, .280 49. .813 1. .00 44, .14 BBBB N

ATOM 3831 CA LEU B 132 100, .424 61, ,045 49. .051 1. .00 44, ,31 BBBB C

ATOM 3832 CB LEU B 132 101, .372 61, .261 47. .876 1, .00 42, .89 BBBB C

ATOM 3833 CG LEU B 132 101 .211 62 .624 47, ,189 1, .00 40 .69 BBBB C

ATOM 3834 GDI LEU B 132 102. .525 63 .065 46. .553 1, ,00 41, .96 BBBB C

ATOM 3835 CD2 LEU B 132 100 .091 62 .535 46 .163 1. .00 39 .30 BBBB C

ATOM 3836 C LEU B 132 100 .928 59, .887 49, .888 1, .00 48. . 69 BBBB C

ATOM 3837 O LEU B 132 101 .465 60 .079 50, .981 1, .00 49 .91 BBBB O

ATOM 3838 N ASP B 133 100 .753 58 .680 49, .362 1, .00 54 .04 BBBB N

ATOM 3839 CA ASP B 133 101 .217 57 .476 50, .039 1, .00 57 .94 BBBB C

ATOM 3840 CB ASP B 133 100 .635 56 .235 49 .379 1, .00 61 .72 BBBB C

ATOM 3841 CG ASP B 133 99, .141 56, .146 49, .529 1, .00 66. .76 BBBB C fc fc fc fc fc fc fc fc c fc c fc fc fc fc

Hi H t-3 t-3 ι-3 ι-3 δ f t-3 δ Hi fc t-3 δ H H δ H fc fc fc t-3 fc t-3 ι-3 Hi fc ι-3 fc fc

H fc fc fc fc fc fc fc fc fc fc ι-3 fc H fc H fc f

H fc H HI HI t-3

O O d d d d d d d d d d d d d d d d d d d d d Ω d d d O Ω O d d d d d d d d d d d

2 3 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2

Ω Ω S3 d Ω d d Ω Ω Ω Ω S3 d Ω Ω Ω p Ω S3 d Ω Ω Ω Ω c Ω 03 fc trJ Ω Ω to fc- S3 O Ω O Ω Ω Ω Ω Ω Ω Ω p S3 d Ω d to fc to to t) Ω X to f ffi N CO X CO O Ω 03 to to H fc α ι-3 Hi Ω Ω Ω Ω Ω Ω Ω Ω Ω 13 13 13 13 13 13 13 <! < < < < ⁽-3 HI t-3 t-3 t-3 t-3 H H t-3 t-3 HI ffi ffi ffi tr* tr* tr* X tr* tr* Ir* X tr* to to to fc fc f

S t to to £ fc δ fc fc c ; Ki Ki Ki Ki CO cc f fc Ki Ki Ki Ki K n c to X X G G G G G G G a G d d d d d d d ir* X tr* to to to to to to to to to to to X 13 13 13 1

03 X 03 to to 03 to to to to to to 03 03 to 03 to to 03 to to to t X 03 03 03 03 03 03 03 03 03 03 03 03 03 to to 03 t t

H H H H H H H H

LO oo oo oo LO LO oo co en cn en en in tπ in iπ m in m rf_* rf_* rf_* rf* rf_* rf_* rf* rf* rf* rf_*

H H* H> H H H H H H H H H H H o H> H> o o o o o o o o o o O o o o o o o o o o v H o rf* H> to o vo oo en en cn cn m tπ vo vo v] o LΠ φ- to en in rf_* vo o rf_* in vo H φ. H o vl H to oo o o in vl c vo o rf_* cn in H φ. vo oo vo vo j in o o oo rf* tn to tπ oo in cn in in H tn φ. o to to rf* o H¹ in o o in in in in tn rf_* rf_* LΠ m in in Π LΠ LΠ tπ tn tn Lπ on in tπ tπ in in in tn in in in tπ in in tπ in in tπ rf_* O CO CO o o to to φ> Φ- LO φ. in Φ- Φ- Φ- tπ φ. in v] en CΛ cn cn va m rf_* rf* vl φ. vo to to o en in cn m m φ. oo vo o o o σ in en o rf_* φ. oo o LΠ φ- in CΛ o tn rf* in in H> vo o H> o rf* φ- tn cn tn in -a cn H o in in o in cn cn o rf_* rf_* rf_* rf_* Φ- rf_* rf_* rf* Φ. φ. Φ- in in Φ- Φ- φ. Φ- φ. in in in m tπ tπ in tπ LΠ in φ. rf* in in cn j vj o o o co cn oo vo o o H to H o o oo o w o Φ- H rf_* vo o o cn oo cn en o φ> cn rf* rf_* o tn --a m σ. en in vl vo v o in vo tπ co vo

H to cn v] m o φ. in Φ. m v] cn LΠ in o en in

H> H¹ H> H> H H H t-> H H H H> H H H H H H o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o O o o σ o o o σ o o o o o o o σ o o o o o o o o o o o o o o o σ o o o o o O o rf_* rf* φ. cn cn m LΠ in in in in in in m m in in LΠ in in m en in tπ in on in in v] cn rf_* cn in vo o to LO LΠ H LO φ. in va o en cn v cn v] O o o o rf_* φ- cn cn cn in o in in o cn v] to in rf_* o φ. O o o in rf_* o o H> cn vo co o to vo o o en v] o to

ω ω ω ω ω o3 ω ω ω ω ω ω o3 ω -fl rj3 ω ω ω to ω ω ω ro ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω w ω ω ω o3 ω ω ω ω ω ω ω ω ro ω ω ω ro ω ω ω ω ω to ω ω ω ω ω ω ω ω o3 to ω ω ω ω ω ω ω o3 ω ω ω tύ ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ro ω w ω ω ω ω ω ω ω ro w ω ω ro ω ω o3 θ3 θ3 ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ro ω ω ω ω to ω ω ω ω ω ω ω ω ω ω o3 td ω o3 03 ω ω ω o3

Ω Ω S3 0 Ω O d Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω S3 d Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω S3 d Ω d O

ATOM 3884 OG1 THR B 138 113,,116 54,,874 42.,618 1.00 39.,57 BBBB O

ATOM 3885 CG2 THR B 138 111. .026 55. .561 43. ,577 1. ,00 42, ,82 BBBB C

ATOM 3886 C THR B 138 112. ,064 52. .397 41, ,687 1. ,00 43, .98 BBBB C

ATOM 3887 O THR B 138 113. .127 51. .846 41. ,957 1. ,00 44. .96 BBBB O

ATOM 3888 N VAL B 139 111. ,500 52. .321 40. ,488 1. ,00 40, ,53 BBBB N

ATOM 3889 CA VAL B 139 112, .148 51, .598 39. ,411 1. ,00 37. ,10 BBBB C

ATOM 3890 CB VAL B 139 111. .460 51. .847 38, ,071 1. ,00 34. ,46 BBBB C

ATOM 3891 CGI VAL B 139 112. .382 51. .485 36. ,924 1. ,00 26. .13 BBBB C

ATOM 3892 CG2 VAL B 139 110. .205 51. .028 38. ,000 1. ,00 33, .33 BBBB C

ATOM 3893 C VAL B 139 113. .581 52, .073 39. ,306 1. ,00 41, .03 BBBB C

ATOM 3894 O VAL B 139 114. ,476 51, .291 39. ,017 1. .00 41, .10 BBBB O

ATOM 3895 N TYR B 140 113, .810 53. .356 39, ,549 1. .00 44, .13 BBBB N

ATOM 3896 CA TYR B 140 115. .162 53. .871 39. .458 1. ,00 47. ,67 BBBB C

ATOM 3897 CB TYR B 140 115, .202 55, .373 39. .638 1, .00 47. .66 BBBB C

ATOM 3898 CG TYR B 140 116, .623 55, .868 39. .697 1, ,00 51. .81 BBBB C

ATOM 3899 GDI TYR B 140 117. .425 55. .877 38. .551 1, .00 55. .53 BBBB C

ATOM 3900 CEl TYR B 140 118, .765 56, .264 38, .608 1. .00 56, .19 BBBB C

ATOM 3901 CD2 TYR B 140 117, .192 56, .263 40. .908 1. .00 52, ,18 BBBB C

ATOM 3902 CE2 TYR B 140 118, .530 56, .654 40. .984 1. .00 55, .26 BBBB C

ATOM 3903 CZ TYR B 140 119. .314 56. .651 39. .831 1. ,00 58. .35 BBBB C

ATOM 3904 OH TYR B 140 120, .645 57, .017 39, .908 1, ,00 58, .11 BBBB 0

ATOM 3905 C TYR B 140 116, .110 53, .260 40. .477 1. ,00 50, .90 BBBB c

ATOM 3906 O TYR B 140 117, .263 52, .987 40, .152 1. .00 52. .83 BBBB 0

ATOM 3907 N ARG B 141 115, ,646 53, .075 41. ,712 1. ,00 50. .74 BBBB N

ATOM 3908 CA ARG B 141 116, .492 52, .490 42, .750 1. ,00 51, .84 BBBB C

ATOM 3909 CB ARG B 141 115, .836 52, .637 44, .130 1. ,00 54. .24 BBBB C

ATOM 3910 CG ARG B 141 116, .266 53, .909 44. .868 1, ,00 60. .00 BBBB C

ATOM 3911 CD ARG B 141 115, ,445 54, .160 46. .136 1. ,00 67, .66 BBBB C

ATOM 3912 NE ARG B 141 115 .938 55, .290 46, .935 1, ,00 74, .90 BBBB N

ATOM 3913 CZ ARG B 141 116, .172 56, .519 46, .467 1, ,00 79, .15 BBBB C

ATOM 3914 NHl ARG B 141 115, .965 56, .806 45! ÷185 1, .00 79, .97 BBBB N

ATOM 3915 NH2 ARG B 141 116, .608 57, .473 47, .285 1, .00 81, .26 BBBB N

ATOM 3916 C ARG B 141 116 .794 51 .025 42, .449 1, .00 51, .52 BBBB C

ATOM 3917 O ARG B 141 117 .940 50 .588 42 .541 1, .00 50, .30 BBBB O

ATOM 3918 N VAL B 142 115 .768 50, .267 42. .081 1, .00 48, .23 BBBB N

ATOM 3919 CA VAL B 142 115 .958 48 .862 41 .752 1, .00 46 .06 BBBB C

ATOM 3920 CB VAL B 142 114 .637 48 .223 41 .265 1, .00 45 .01 BBBB C

ATOM 3921 CGI VAL B 142 114 .892 46 .822 40, .772 1, .00 46 .03 BBBB C

ATOM 3922 CG2 VAL B 142 113 .623 48, .197 42, .391 1. .00 43, .70 BBBB C

ATOM 3923 C VAL B 142 117 .008 48 .740 40 .642 1, .00 49 .43 BBBB C

ATOM 3924 O VAL B 142 117 .900 47 .896 40 .702 1, .00 51 .94 BBBB O

ATOM 3925 N ALA B 143 116 .900 49 .603 39 .638 1, .00 49 .59 BBBB N fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc i-3 HI t-3 HI H t-3 t-3 H Hi ι-3 t-3 H HI HI H t-3 H H t-3 t-3 t-3 t-3 t-3 t-3 t-3 t-3 HI t-3 δ HI fc fc fc fc fc fc fc fc fc fc

HI H H t-3 ι-3 H ι-3 δ H fc

H H t-3 d d d d d d d d d d d o Ω d d d d d d d d d d d d Ω d d d d d d d d d d d d d d d d

2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2

Ω d Ω Ω S3 d Ω d Ω Ω Ω Ω Ω Ω Ω Ω S3 d Ω S3 Ω g Ω Ω Ω p S3 d Ω a Ω Ω Ω a d Ω Ω Ω

Ω 03 fc ffi N t O CO α Ω 03 fc to CO D Ω 03 fc §iff N a Ω Ω to O Ω 03 fc to to fc

CQ cn cn cn t-3 Hi t-3 Hi ι-3 t-3 t-3 Hi t-3 HI t-3 ffi ffi ff ffi ffi ffi ffi ffi ffi ffi

CO CO to t to i Ki K! Ki K! i

Ki to X to cn cn cn cn cn Ω f s Ω Ω is i 6s1 i 6s1 i Ωs i Ωs δ δ to to t to X to to to X to to to X X Ω 6 £1 Ϊ ΩS i f

Ωs c

13 fc fc to 03 03 03 03 to to t to 03 03 03 to to g

03 to 03 X 03 03 to to to to to to X 03 to 03 03 03 to ω 03 03 to 03 03 to 03 03

H H M rf_* Φ. φ. φ. Φ- φ. φ. rf* rf_* rf* rf* rf_* rf* rf* rf_* rf_* rf_* rf* rf* rf_* rf* fr* rf_* rf_* rf* rf_* rf_* cn cn cn en en cn cn tn tπ in Lπ in LΠ in LΠ in in rf_* rf_* rf_* φ. rf* rf* rf* rf_* rf*

H> H H H> H to to to to to H H cr. Lπ rf* oo o o H o o vo o o o o o vo o LΠ rf* on in in in φ- rf_* in o vo o tn rf* rf* o rf_* 00 vo m vo to vo CO o oo H o to o cn to co rf_* φ- rf_* o CΛ o co rf* O in tπ to vo Φ- CΛ cn LΠ o Lπ H o Φ- o cn vo to rf* o φ. tn H> σi rf* rf* rf_* rf* rf* rf* rf_* rf_* rf_* rf_* rf_* φ. rf_* φ- φ> Φ- rf* φ. φ. rf* φ- m in in in in m in in rf_* rf* tn φ- vo tπ cn to rf_* in LΠ rf_* in in vo o rf_* rf_* rf_* rf_* oo o vo vo rf_* oo o vo -a to en o φ- H rf_* en φ- in o o o m in in vo in o vo o vo rf_* in vo O vo φ. in vo en o vo to O o oo CΛ m tn rf* rf_* vo o tn rf* φ- oo φ. φ. rf* rf_* Φ- rf_* φ- rf_* rf* φ> rf* rf* rf* rf* rf* rf_* φ. φ- oo LO oo cn vo H o vo oo o φ. m in rf_* o tn rf* rf_* H o to o cn o Φ- rf* to in o rf_* in co in o in o on rf_* tπ φ. o oo in co tn φ. in vo o en in LΠ in o o LΠ o o o rf_* en rf_* vo ~ cn o o vo in H> in rf_* Φ- H o rf_*

H H H H H> o o σ o σ o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o cn en en tπ cn in m in in in in in in tn Lπ cn CΛ cn en in in in in in in cn tπ tπ tn in rf_* rf* rf* vo o vo va co vo cn in rf* rf_* φ. o o φ. to o co cn en rf* oo o vo vo φ. cn rf_* rf_* oo vo cn co φ. oo φ. o cn in co vo o rf* m vo vo o rf_* in -o vo vo to o o cn in cn o CΛ H

ϋ3 θ3 θ3 θ3 θ3 ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ω ro ro ω ω ω ro ω o3 ω o3 ω ω ω ω ω ω o3 ω to ω ω ω ω ω ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω tα ω tύ ω ω ω ω ω ω ω ω ω ω ω ω to ω to ω to ω ω ω ω ro ω to ω ω ω o3 to ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω o3 θ3 θ3 -o

Ω d Ω Ω d Ω d Ω Ω Ω Ω Ω Ω Ω a d Ω a Ω Ω Ω Ω Ω d Ω Ω Ω Ω Ω d O Ω Ω

ATOM 3968 O SER B 147 126..301 47..592 38..307 1.,00 67,.00 BBBB O

ATOM 3969 N ARG B 148 125. .108 48, .305 40, ,070 1. ,00 65, .77 BBBB N

ATOM 3970 CA ARG B 148 126. .276 48, .305 40, .941 1. .00 66, .16 BBBB C

ATOM 3971 CB ARG B 148 125. .948 48. .974 42, .282 1, .00 67, .01 BBBB C

ATOM 3972 CG ARG B 148 125. .933 50. .495 42. .209 1. .00 71. .68 BBBB c

ATOM 3973 CD ARG B 148 125, .580 51. .146 43. .542 1. ,00 73. .68 BBBB c

ATOM 3974 NE ARG B 148 125, .576 52. .606 43. ,423 1. ,00 79. .17 BBBB N

ATOM 3975 CZ ARG B 148 125, .035 53, .440 44, .312 1, .00 81, .64 BBBB C

ATOM 3976 NHl ARG B 148 124. .443 52, .968 45, .406 1, .00 81, .22 BBBB N

ATOM 3977 NH2 ARG B 148 125, .079 54. .751 44, .098 1, .00 82, .14 BBBB N

ATOM 3978 C ARG B 148 126. .724 46. .856 41. .148 1. .00 64. .46 BBBB C

ATOM 3979 O ARG B 148 127. .920 46. .561 41. .202 1. ,00 64. .28 BBBB O

ATOM 3980 N ALA B 149 125. .753 45. .954 41. .244 1. ,00 60. .94 BBBB B .

ATOM 3981 CA ALA B 149 126. .045 44, .541 41, ,422 1. .00 61, .97 BBBB B -

ATOM 3982 CB ALA B 149 124. ,819 43. .817 41, .956 1. .00 59, .42 BBBB B S

ATOM 3983 C ALA B 149 126, .451 43. .946 40, .083 1. .00 63, ,15 BBBB B ^•;

ATOM 3984 0 ALA B 149 126. .358 42. .733 39, .888 1. .00 60, .19 BBBB B ε

ATOM 3985 N LYS B 150 126, .906 44. .808 39, .172 1, ,00 65. .63 BBBB N

ATOM 3986 CA LYS B 150 127. .306 44. .401 37, .824 1. .00 68. .77 BBBB C

ATOM 3987 CB LYS B 150 128, .755 43, .911 37, .790 1, .00 67, .93 BBBB C

ATOM 3988 CG LYS B 150 129, .820 44, .977 37, .801 1, .00 68, .29 BBBB C

ATOM 3989 CD LYS B 150 131, .091 44, .405 37, .188 1. .00 68, .86 BBBB C

ATOM 3990 CE LYS B 150 132, .306 45, .246 37, .512 1, .00 70, .24 BBBB C

ATOM 3991 NZ LYS B 150 132, .534 45. .289 38, .986 1. .00 70, ,33 BBBB N

ATOM 3992 C LYS B 150 126, .416 43. .286 37, .284 1. .00 69. .14 BBBB C

ATOM 3993 O LYS B 150 126. .877 42. .442 36, .519 1, .00 71, ,38 BBBB O

ATOM 3994 N GLN B 151 125, .146 43. .276 37, .683 1. .00 70, .98 BBBB N

ATOM 3995 CA GLN B 151 124, .217 42. .243 37, .229 1, .00 70, ,86 BBBB C

ATOM 3996 CB GLN B 151 123. .544 41. .568 38. ,424 1, .00 73, .36 BBBB C

ATOM 3997 CG GLN B 151 123. .055 40. .161 38, .125 1, .00 77, ,85 BBBB C

ATOM 3998 CD GLN B 151 122. .201 39. .590 39, .241 1. .00 80, .07 BBBB C

ATOM 3999 OEl GLN B 151 122 .612 39, .562 40, .407 1, .00 79 .82 BBBB O

ATOM 4000 NE2 GLN B 151 121 .000 39, .126 38, .887 1, .00 80 .16 BBBB N

ATOM 4001 C GLN B 151 123, .150 42, .808 36, .290 1, .00 69 .26 BBBB C

ATOM 4002 O GLN B 151 123. .224 43, .970 35, .869 1, .00 65. .82 BBBB O

ATOM 4003 N THR B 152 122 .154 41, .986 35, .970 1, .00 68. .04 BBBB N

ATOM 4004 CA THR B 152 121 .096 4 .406 35 .058 1 .00 67 .82 BBBB C

ATOM 4005 CB THR B 152 121 .255 41 .708 33 .692 1, .00 71 .92 BBBB C

ATOM 4006 OG1 THR B 152 120 .325 42, .276 32. .758 1, .00 74. .61 BBBB O

ATOM 4007 CG2 THR B 152 121 .008 40, .194 33. .828 1. .00 72, .22 BBBB c

ATOM 4008 C THR B 152 119 .679 42, .149 35, .577 1. .00 64, .30 BBBB c

ATOM 4009 O THR B 152 119 .380 41, .072 36. .112 1. .00 64, ,10 BBBB 0 fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc c fc fc fc fc f fc t-3 t-3 t-3 t-3 t-3 H t-3 H H H ι-3 H t-3 t-3 H t-3 t-3 H H t-3 HI t-3 δ fc f t-3 Hi δ fc

H H Hi t-3 1-3 δ fc t-3 H δt-3 H δ fc fc fc c c t-3 t-3 HI t-3 t-3 δ f t-3 H t-3 Hi d d Ω d d d Ω d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d

2 2 2 2 2 3 3 3 3 3 2 2 2 2 2 3 2 2 2 2 2 2 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 rf* rf* rf_* rf_* Φ- Φ. φ- rf_* rf* rf_* Φ- φ. Φ- φ. φ. Φ- rf_* Φ- Φ. Φ- rf_* φ. Φ- rf* φ. Φ. Φ- Φ> Φ- Φ> Φ. Φ- Φ- Φ- Φ- Φ- φ. rf* rf_* rf* rf* rf_* o σ o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o m in rf* Φ- φ- rf_* Φ- φ. Φ- φ. Φ- φ. OJ oo oo LO LO LO 00 00 00 oo CO CO CO CO O O O to to DO H H H H¹ H H H H> H H

H o VO 00 vl CΛ in Φ- J CO H¹ o VD 00 vl en in Φ- OJ to H o vo 00 vl CΛ in φ- LO CO H O VO CO vl en in rf_* 0J to H¹ o d Ω d Ω Ω Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω 9 a d Ω Ω Ω Ω 9 a d Ω Ω Ω Ω Ω Ω Ω Ω Ω fi IS) CO X to X Ω 03 p f Ω to fc σ Ω Ω 03 Ω O Ω 03 fc fc O a d α Ω

D Ω to fc a

CO CO H> H> H H CO C H¹ to H

HI Hi H t-3 t-3 H ι-3 ι-3 t-3 t-3 HI t-3 H H H H HI H H H <: <! 13 13 13 13 13 13 13 tr* Ir* Ir* tr* t* X t* t*

Kj Kj Ki Ki Ki K; K! Ki K: Ki Ki Ki tr* ir* ir* tr* Ir* tr* Ir* X fc fc g fc t? δ F? to X to t to t to to to CO to CO to to to

X to to to to to to X X to to X CO CO CO to CO GO CO GO tr* tr* tr* d O d d d d d G G G G G G G G to 03 03 03 03 to to to X 03 to 03 03 03 03 03 to to 03 to 03 to to 03 to 03 03 03 X 03 03 03 03 03 to to to 03 03 03 03 03

H H H H H H> H H H> H» H> H> H> H H H> H H> H> H> H> H¹ H H H H> H¹ H> H> H> H H> H> H¹ H> H H^» H¹ H> H> H¹

LΠ LΠ LΠ in in in in in in LΠ in in in LΠ in on LΠ tn tn in in in in LΠ m in LΠ w in on in LΠ in in in on LΠ LΠ LΠ tn in LΠ

-J •vl vl ~J v vl -a vl vl •v] en en en en CΛ CΛ cn CΛ tπ on on LΠ LΠ in LΠ Φ- Φ- Φ- Φ- rf_* Φ. Φ- LO oo 00 00 LO OJ 00 OJ

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00 LO rf* Φ- LO 00 oo LO 00 OJ 00 OJ OJ to 00 00 00 OJ 00 0J 00 0J CO J J LO 0J 0J OJ 00 OJ LO 00 to oo LO 00 LO 00 OJ OJ J

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-a VD o vo H CO φ. CO φ- H> rf* OJ rf* CO LO 00 CΛ tn in o in 03 H> φ- 00 o o en vo rf* cn cn LO VD 00 o OO VD in VD

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03 03 03 tύ 03 03 ω ωx ωx ωx xω ωw ωx ωx ωx xω x xω ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx ωx xω xro ωx xω xω xω xω xω d Ω d Ω Ω Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω Ω Ω O Ω a

fc fc δ fc fc f

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H fcI H H fc fc fc fc

HI Hi H fci fc fc fc

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H cn in to tn o φ. vo vo VD m to cn o o o rf_* cn vo o en rf_* H¹ en -J

H> o o o o O o o O o o o o o o o o o o o o o o o o O o o o o o σ o o o o o o o o o O o o o o o o o o o o o o o o o o o o o o o o o o o O σ o o o o o oo oo OJ LO oo oo oo rf_* φ. φ. rf_* φ. ω φ. rf* rf_* rf* oo OJ vo cn vj cn φ. in rf_* oo vo H H v] cn o co to H to vo vo vo to H to o φ. rf* o cn to vo φ. tn H cn on in m rf* cn cn in o rf_* rf_* o o w in en oo vo vo o vo Φ- H in o oo in rf_*

ω ω ω ω ω ω ω o3 ω ω ω o3 ω ω ω ω ω ω o3 ω ω ω ω ω ω o3 θ3 ω o3 ω o3 ω ω ω ω ω ω ω ro ω o3 θ3 ω ω ω 03 ω ω ω 03 ω ω ω ro ω ω ω ro ω ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω o3 ϋ3 03 03 03 θ3 03 03 W 03 ro o3 θ3 -ύ M θ ro ro M 03 0 ro ro 03 ro ffi ro w o ro -ύ ro o θ3 θ td ϋ3 θ W 0 ro

O3 O3 W tO O3 O3 ro W 03 M ffi 03 ro M ro tO -ύ ro 03 03 ro 03 03 ro ro 03 W 03 O3 03 W O3 03 Ω CQ Ω Ω Ω a d Ω d Ω Ω Ω Ω Ω Ω Ω Ω a O Ω Ω Ω Ω Ω Ω a d Ω a Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a

δ fc δ fc δ c δ δ δ δ δ δ δ fc fc fc δ δ δ δ fc Hi Hi HI

£ d δ f δ δ fc δ

£ d δ δ δ δ δ fc d δ Ω δ δ Ω δ δ fc δ δ

£ £ Ω δ δ d 2 2 £ £ 2 3 3 £ 2 2 rf* rf* rf* rf* rf* rf* rf*

d Ω Ω Ω to to α a d Ω Ω Ω Ω Ω Ω α 03 a o Ω d Ω α fc Ω 03 α fc ffi tsi 61 03 to α 9 a d Ω a to α α 9 a d Ω

13 tr* tr* tr* tr* tr* tr* tr* tr* Ω Ω Ω Ω Ω ι-3 t-3 ι-3 t-3 H H t-3 t-3 2 2 ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi to Ir* Ir* tr* tr* tr* Ki Ki Ki i Ki Ki Ki Ki t to to to t t to to G G a g tr* a 1 Ω Ω a a a a to to to to to to t to to to to to HI Hi

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Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω a d Ω Ω Ω Ω a d O d Ω Ω Ω Ω Ω Ω Ω Ω a d Ω

fc fc δ fc fc fc fc fc fc f fc c fc fc fc f fc c c fc fc fc f fc

H t-3 HI ι-3 δ t-3 H δ fc fc I HI t-3 δ Hi H t-3 δ c f

H t-3 t-3 t-3 δ cf t-3 t-3 H t-3 δ c t-3 t-3 t-3 t-3 δ fc f

Hi t-3 t-3 δ f c

H H t-3 δ t-3 t-3 H δ t-3 δ fc fc fc

Hi HI HI t-3 H d d d d d d d d d d d d d d d d d d d d d d d d d d d d O O O O O O O O d d d d d d

2 2 2 2 2 2 2 3 3 2 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 rf* rf* rf* φ. φ. φ. rf* rf* φ. φ. rf* φ. φ. rf* rf* φ. rf* φ. rf* rf* rf* rf* rf* rf* rf* rf* rf* φ. φ. rf* rf* Φ> φ. φ. φ.

H H¹ H H H> H H H H H H H H H H H H> H¹ H> H> H en en in m in tn in tπ in LΠ in tπ rf* rf* rf* Φ- φ. φ. rf* φ. φ. en in φ. H o in oo vo in rf* to H o en tn to en d Ω d Ω Ω Ω Ω Ω Ω Ω Ω a Ω Ω Ω Ω a ffi tsi CO α GO D Ω 03 03 fc α O Ω 03 fc Ω 03 fc ffi |τj CO O Ω to fc to to H 9 a d Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω d Ω p a O Ω g g

H

H t-3 H t-3 t-3 t-3 HI Hi t-3 c fc c tr* f tr* tr*

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G G G G G G G G to to X to to t Ωs ϊx Ω i ΩS i Ω i Ωs Ω i i Ωs δ Ω i 6S ^ t 1 Ω Ω

03 03 03 03 03 03 to to 03 03 03 03 03 03 03 03 03 to 03 03 to to 03 03 to 03 to 03 03 03 to t to ω to to to to 03 03 03 03

H^> H H H H> H H> H H H H H H H H H

--a cn cn en cn en cn cn en cn en en en en en

H> H H> H H o o o o vo co -a -J

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H o in vo φ. o cn o to o LΠ H H> o o o H" cn vo rf* rf* to H cn vo en o rf* o vo m o rf* tπ to rf* o vo vo o o H vo rf* o o o in rf* o o vo vo in o to in H oo to to t t co ω en tn φ. Φ- H o vo vo vo σ H φ- rf* in rf* o oo rf* cn in en in o LΠ Φ- tn o in o rf> to cn o o en o co o tπ LΠ in φ. o iπ φ- en o H cn H cn rf* H to in co to o o H> Φ- tn o φ. cn o cn

H H H H H H H H H> H H H H H H H H> H H H H> o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o rf* rf* φ- φ. φ- rf* rf* rf* rf* oo oo oo to oo oo rf* m φ. φ. cn cn cn φ- rf* tn tπ VD cn to in CΛ cn cn in in H in H vo o H in in o CΛ o en in o o vo in oo o co H tπ o o H φ. rf* in Φ- φ. cn o oo φ. H to o oo vo in en co rf* rf* co vo in oo φ.

ro ro ro w ffi ro ro w M ro ro ro ω ro os ω ω M os ro ω ω ro w ro ro ro M ω ro w w oβ to ro os to ro w ro co tύ

X X X X X X X X iϋ X X X W X W X X X X X X X X X X X X X X X X X X X X X X X X X X

M ro ro ro ro ro -o ύ ro D3 D3 -ύ M i-3 θ θ3 ro o3 θ3 M ro o θ ro o3 -ύ ro ro ro ro D3 W X W W X X X X X X X X W X X X X X X X X X X X X X X X X X X X X X X X X X X X X X O Ω O Ω Ω Ω Ω Ω Ω a O Ω Ω a O Ω Ω Ω Ω Ω Ω a O Ω O Ω Ω a d Ω a O a

ATOM 4178 N ILE B 172 95..861 57..775 31.833 1.,00 42.30 BBBB N

ATOM 4179 CA ILE B 172 95, .898 59, ,239 31 .872 1. .00 43 .29 BBBB C

ATOM 4180 CB ILE B 172 97, .200 59. ,809 32 .514 1. ,00 40 .89 BBBB C

ATOM 4181 CG2 ILE B 172 97, .401 59. ,217 33, .903 1. ,00 38 .09 BBBB C

ATOM 4182 CGI ILE B 172 98. .407 59. .534 31, .624 1. 00 38, .88 BBBB C

ATOM 4183 CD1 ILE B 172 99. .667 60. .239 32, .090 1. ,00 38 .58 BBBB C

ATOM 4184 C ILE B 172 95. .742 59. .834 30, .479 1. 00 43, .71 BBBB C

ATOM 4185 O ILE B 172 94. .985 60. .784 30, .294 1. ,00 44 .59 BBBB O

ATOM 4186 N HIS B 173 96, .450 59. .271 29, .504 1. ,00 45, .79 BBBB N

ATOM 4187 CA HIS B 173 96, .375 59. .745 28, .123 1. ,00 43 .43 BBBB C

ATOM 4188 CB HIS B 173 97, .199 58. .846 27, .204 1. ,00 38, .84 BBBB C

ATOM 4189 CG HIS B 173 98, .670 59. .105 27, .260 1. ,00 39 .15 BBBB C

ATOM 4190 CD2 HIS B 173 99, .674 58. .721 26, .436 1. ,00 31, .08 BBBB C

ATOM 4191 NDl HIS B 173 99, ,264 59. .819 28, .280 1. ,00 38 .32 BBBB N

ATOM 4192 CEl HIS B 173 100, .569 59. ,863 28, .083 1. ,00 32, .80 BBBB C

ATOM 4193 NE2 HIS B 173 100, .843 59, .204 26, .971 1. ,00 29 .35 BBBB N

ATOM 4194 C HIS B 173 94, .933 59. .764 27, .630 1. ,00 46, .04 BBBB C

ATOM 4195 0 HIS B 173 94, .594 60. .537 26, .735 1. .00 48 .21 BBBB O

ATOM 4196 N SER B 174 94. .083 58. ,916 28, .206 1. ,00 46, ,83 BBBB N

ATOM 4197 CA SER B 174 92. .683 58. .875 27, .799 1. .00 47. .24 BBBB C

ATOM 4198 CB SER B 174 91, ,954 57. .694 28. ,448 1. ,00 46. .67 BBBB C

ATOM 4199 OG SER B 174 91, .626 57, .969 29, .796 1, .00 50, .88 BBBB O

ATOM 4200 C SER B 174 92. .013 60. .187 28, .196 1. ,00 48. .64 BBBB C

ATOM 4201 O SER B 174 91, .122 60, .666 27 .497 1, .00 52 .71 BBBB O

ATOM 4202 N PHE B 175 92, .443 60. .773 29. .314 1. ,00 47. .72 BBBB N

ATOM 4203 CA PHE B 175 91, .883 62, .047 29 .763 1, ,00 47 .55 BBBB C

ATOM 4204 CB PHE B 175 92. .011 62. .205 31. .271 1. ,00 48. .82 BBBB C

ATOM 4205 CG PHE B 175 91, .155 61, .277 32 .049 1, .00 55 .23 BBBB C

ATOM 4206 GDI PHE B 175 91, ,635 60. .042 32, ,445 1. ,00 55. .47 BBBB C

ATOM 4207 CD2 PHE B 175 89 .865 61, .644 32 .403 1, .00 57 .15 BBBB C

ATOM 4208 CEl PHE B 175 90, .843 59. .185 33, .185 1. .00 57. .95 BBBB C

ATOM 4209 CE2 PHE B 175 89 .066 60, .796 33 .140 1, .00 56 .84 BBBB C

ATOM 4210 CZ PHE B 175 89, .554 59. .564 33, .535 1. .00 58. ,16 BBBB C

ATOM 4211 C PHE B 175 92 .602 63 .221 29 .116 1 .00 47 .51 BBBB C

ATOM 4212 O PHE B 175 92. .450 64. .355 29, ,558 1. .00 49. .44 BBBB O

ATOM 4213 N GLY B 176 93 .393 62, .954 28 .082 1, .00 45, .24 BBBB N

ATOM 4214 CA GLY B 176 94, .126 64. .022 27, .422 1. .00 44. .37 BBBB C

ATOM 4215 C GLY B 176 95 .269 64. .580 28 .257 1, .00 44, .01 BBBB C

ATOM 4216 O GLY B 176 95, ,866 65. .586 27, .881 1. .00 45. .28 BBBB O

ATOM 4217 N ILE B 177 95 .581 63 .929 29 .381 1. .00 43, .33 BBBB N

ATOM 4218 CA ILE B 177 96, .663 64. .368 30 .274 1, .00 43. .56 BBBB C

ATOM 4219 CB ILE B 177 96 .373 63 .990 31 .737 1 .00 44, .01 BBBB C δ δ fc fc fc fc fc fc fc fc fc H ι-3 δ fc H H H H ι-3 H ι-3

£ d d δ δ c d δ d δ d δ δ δ δ d δ d d δ d δ d d δ Ω δ δ d d δ d δ d d d δ Ω δ δ δ fc d δ Ω δ f d Ω d δ

£ d δ δ d δ d δ d

2 2 2 2 2 2 2 £ £ £ 2 2 2 2 2 2 2 £ £ 2 2 2 2 2 2 2 £ £ 2 2 2 2 2 2 2 2 s 2 2 2 rf* rf* rf* rf* rf* rf* rf* rf* Φ- j* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* Φ- rf* rf* rf* rf_* to t to to to co cn. m in in m rf* rf* rf* rf* rf* rf* rf* rf* rf* oo oo oo o rf* H> σ vo m rf* H> vo rf* oo cn co

Ω a d d d Ω Ω a Ω Ω Ω Ω Ω Ω Ω Ω Ω c α X 61 03 9 a d Ω 1 Ω Ω Ω Ω to D Ω 03 a d a f fc CO t Ω 03 9 a d c Ω 03 O Ω Ω H* to α to f 9 a d Ω Ω Ω

H H

H H fc fc fc fc fc fc fc fc ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi Ω Ω Ω H H H H tr* CQ CQ CQ CD cn CQ CQ CQ δ X δX δX δX δX δX δX δX δX δX δX H H H H H H tr* tr* tr* ir* tr* GO 13 13 13 13 13 13 13 13 Ω Ω Ω Ω Ώ Ω Ω Ω Ω Ώ Ω cn cn cn cn cn cn cn cn cn cn t to CO CO GO to to 03 to 03 03 ω ω to 03 to 03 to 03 to to to to 03 to 03 to to 03 03 03 to 03 03 03 03 03 03 03 03 03 to 03 03 03 03

H H H H H H H H H H H H vl o o o o o o o vo vo vo o oo -j

H H H H H H H o o o o o o o o o o o o o o o o o o o o o o vo vo vo oo vo o vo oo co rf* rf* rf* rf* rf* oo rf* rf* cn on to σ co vo cn H rf* rf* o o H" o o vo o o in o rf* o m oo co cn cn rf* cn o to rf* vo H cn m en rf* rf* rf* cn cn cn cn cn cn en cn cn en cn cn cn en en cn cn cn cn en σ. cn cn o H H o co cn rf* rf* rf* rf* oo rf* rf* en vo o oo vo vo o en en o to cn H o H vo LΠ H o oo H rf* tn rf*

H vo H tπ tn o H H> in rf* -J rf* o oo oo oo cn vo o vo vo o o en m rf* vo cn en w in cn to oo H> o rf* vo rf* o in vo rf* vo o en o rf* rf* o vo o cn o cn vo vo rf* vo o o ^•-a rf* rf* en tn vo

H H H H H H H H H H H H H H H H H M H H H H> o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o oo rf_* oo rf* rf* rf* rf* rf* cn cn cn o oo rf* rf* vo o

~a vo cn vo o H rf* rf* o rf* o o o oo rf* to cn rf* o rf* o rf* rf* en H en rf* rf* •o cn

x x x x x x x x x w x x x x x x x x x x x x x x x x x x x w x x x x x w x x x x x x to ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω o3 ω to ω rjo ω ω ω ω ω ω ω ω -o ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω to ω ω ω os ω ω ω ω to oa ω o-f ω ω ω ω ω ω to ro ω ω ω ω ω ω ω ω ω Ds od ω ω ω ω ω ω ω ω w ω ω ω ω ω ω ω to a d Ω d Ω Ω d Ω a Ω Ω Ω d a Ω Ω Ω Ω Ω a d Ω Cn Ω Ω d Ω Ω Ω

ATOM 4262 CB ILE B 182 107,.852 59..431 31,.789 1.,00 39..08 BBBB C

ATOM 4263 CG2 ILE B 182 108, .203 57, .955 31, .855 1. ,00 36, . 16 BBBB C

ATOM 4264 CGI ILE B 182 106, .360 59, .638 32, .012 1, ,00 39. .72 BBBB C

ATOM 4265 CD1 ILE B 182 105, .510 58. .697 31. .255 1. ,00 46. ,62 BBBB C

ATOM 4266 C ILE B 182 110, .073 59, .826 32, .912 1. .00 39, .45 BBBB C

ATOM 4267 O ILE B 182 110. .867 60. .123 32. .013 1. ,00 39. ,35 BBBB O

ATOM 4268 N LYS B 183 110. .422 59. ,177 34. .015 1. .00 36. .64 BBBB N

ATOM 4269 CA LYS B 183 111. .768 58, ,700 34. .261 1. ,00 36. .77 BBBB C

ATOM 4270 CB LYS B 183 112. .671 59, ,867 34. .631 1. ,00 36. .34 BBBB C

ATOM 4271 CG LYS B 183 112, .209 60. .625 35, .846 1. ,00 40, .58 BBBB C

ATOM 4272 CD LYS B 183 113. ,151 61, ,769 36. ,112 1. ,00 39. .01 BBBB C

ATOM 4273 CE LYS B 183 112 .657 62, .653 37 .233 1, .00 43 .97 BBBB C

ATOM 4274 NZ LYS B 183 113. .545 63. ,846 37. .366 1. ,00 43, ,10 BBBB N

ATOM 4275 C LYS B 183 Ill .682 57, .672 35 .403 1, .00 38 .23 BBBB C

ATOM 4276 0 LYS B 183 110. .718 57, .668 36, .179 1. .00 39, .03 BBBB O

ATOM 4277 N PRO B 184 112, .689 56, .784 35, .515 1. .00 36, .07 BBBB N

ATOM 4278 CD PRO B 184 113, .967 56, .863 34 .781 1, .00 36 .84 BBBB C

ATOM 4279 CA PRO B 184 112, .749 55, .736 36, .540 1. .00 33, .07 BBBB C

ATOM 4280 CB PRO B 184 114, .204 55, ,292 36, .488 1, .00 33 .74 BBBB C

ATOM 4281 CG PRO B 184 114. .578 55. .527 35. ,065 1. ,00 34. .45 BBBB C

ATOM 4282 C PRO B 184 112. .358 56, .206 37 .936 1, .00 33 .98 BBBB C

ATOM 4283 O PRO B 184 Ill, .584 55, .550 38, .638 1, .00 33, .27 BBBB O

ATOM 4284 N GLN B 185 112, .909 57, .353 38, .320 1. .00 34, .64 BBBB N

ATOM 4285 CA GLN B 185 112, .693 57, .946 39, .628 1, .00 35, .88 BBBB C

ATOM 4286 CB GLN B 185 113, ,445 59. .276 39, .703 1, ,00 37. .75 BBBB C

ATOM 4287 CG GLN B 185 114, .958 59, ,132 39, .455 1, .00 46, .53 BBBB C

ATOM 4288 CD GLN B 185 115, .346 59. .043 37, .963 1, .00 50, ,81 BBBB C

ATOM 4289 OEl GLN B 185 114, .555 58. .630 37, .112 1, ,00 53, .65 BBBB O

ATOM 4290 NE2 GLN B 185 116. .580 59, .421 37, .657 1. .00 50, ,87 BBBB N

ATOM 4291 C GLN B 185 111. .225 58. .138 39. .967 1. .00 35. .46 BBBB C

ATOM 4292 O GLN B 185 110, .825 58. .040 41 .134 1 .00 33, .65 BBBB O

ATOM 4293 N ASN B 186 110, .419 58, .383 38. .940 1, .00 36. .20 BBBB N

ATOM 4294 CA ASN B 186 109, .000 58, .615 39, .131 1, .00 36, .42 BBBB C

ATOM 4295 CB ASN B 186 108, .505 59, .699 38. .159 1, ,00 34. .87 BBBB C

ATOM 4296 CG ASN B 186 109, .104 61, .073 38, .447 1, .00 31, ,12 BBBB C

ATOM 4297 ODl ASN B 186 109, .547 61. .359 39, .557 1, .00 36. .46 BBBB 0

ATOM 4298 ND2 ASN B 186 109. .096 61, .933 37. .447 1. .00 36. ,34 BBBB N

ATOM 4299 C ASN B 186 108 .136 57 .361 39 .003 1 .00 38, .66 BBBB C

ATOM 4300 O ASN B 186 106, .908 57. ,460 38, .895 1, .00 37, .14 BBBB O

ATOM 4301 N LEU B 187 108, .766 56, .185 39, .022 1, .00 39. .10 BBBB N

ATOM 4302 CA LEU B 187 108, .033 54, .915 38, .930 1, .00 38. .98 BBBB C

ATOM 4303 CB LEU B 187 108 .619 54 .060 37 .807 1 .00 40, .97 BBBB c ATOM 4304 CG LEU B 187 108.,611 54.,704 36.,419 1.,00 38.,88 BBBB C

ATOM 4305 CD1 LEU B 187 109. ,280 53, ,777 35. ,426 1. ,00 36. ,93 BBBB C

ATOM 4306 CD2 LEU B 187 107. .180 54, ,994 36. ,001 1, ,00 34. .73 BBBB C

ATOM 4307 C LEU B 187 108. ,131 54, ,180 40. ,274 1. ,00 40. ,70 BBBB C

ATOM 4308 O LEU B 187 109, ,170 53. ,611 40, ,614 1. ,00 39. ,16 BBBB O

ATOM 4309 N LEU B 188 107. ,045 54. ,198 41. ,039 1. ,00 39. ,22 BBBB N

ATOM 4310 CA LEU B 188 107. .037 53. ,570 42. ,354 1, ,00 40. .73 BBBB C

ATOM 4311 CB LEU B 188 106. .003 54, .247 43. .243 1, .00 42, .75 BBBB C

ATOM 4312 CG LEU B 188 106. ,187 55. .757 43. .329 1. .00 44, .35 BBBB C

ATOM 4313 CD1 LEU B 188 105. ,068 56. ,339 44. ,170 1. ,00 41. ,12 BBBB C

ATOM 4314 CD2 LEU B 188 107. .564 56. .083 43, ,895 1. ,00 33, ,83 BBBB C

ATOM 4315 C LEU B 188 106. .776 52. .079 42. .335 1. ,00 40, .24 BBBB C

ATOM 4316 0 LEU B 188 105, .977 51, ,588 41. .550 1. .00 38, .97 BBBB O

ATOM 4317 N LEU B 189 107. .443 51. .368 43. .234 1, ,00 44. ,26 BBBB N

ATOM 4318 CA LEU B 189 107, .317 49. .922 43. .326 1. .00 47. ,58 BBBB C

ATOM 4319 CB LEU B 189 108. ,619 49. .259 42. .887 1, ,00 47. ,20 BBBB C

ATOM 4320 CG LEU B 189 108. .907 48. .900 41. .437 1, ,00 48. .77 BBBB C

ATOM 4321 CD1 LEU B 189 108, .412 49, .978 40, .504 1, .00 47, .77 BBBB C

ATOM 4322 CD2 LEU B 189 110, .407 48. .700 41. .300 1, .00 44. .83 BBBB C

ATOM 4323 C LEU B 189 107, .021 49, ,422 44. .723 1. .00 50, .38 BBBB C

ATOM 4324 0 LEU B 189 107. .594 49. .906 45, .696 1, .00 52. .21 BBBB O

ATOM 4325 N ASP B 190 106, .118 48, ,455 44. .822 1, .00 53, .96 BBBB N

ATOM 4326 CA ASP B 190 105, .859 47, .844 46, .108 1, .00 58, .92 BBBB C

ATOM 4327 CB ASP B 190 104. .438 47. .332 46. .255 1. .00 61. .51 BBBB C

ATOM 4328 CG ASP B 190 104, .293 46, .408 47, .457 1, .00 66, .90 BBBB C

ATOM 4329 ODl ASP B 190 104, ,695 45, .228 47, .351 1, .00 68, .50 BBBB O

ATOM 4330 OD2 ASP B 190 103, ,806 46. .862 48, .517 1, .00 66, .43 BBBB O

ATOM 4331 C ASP B 190 106, .795 46, ,653 46, .067 1, .00 61, .29 BBBB C

ATOM 4332 O ASP B 190 106, .665 45 .776 45 .208 1 .00 62 .29 BBBB O

ATOM 4333 N PRO B 191 107, .754 46, .603 46, .997 1 .00 63, .23 BBBB N

ATOM 4334 CD PRO B 191 107, .805 47. .417 48, .226 1. .00 64, ,84 BBBB C

ATOM 4335 CA PRO B 191 108 .724 45, .506 47 .053 1 .00 64 .08 BBBB C

ATOM 4336 CB PRO B 191 109 .425 45, .743 48 .391 1 .00 65 .07 BBBB C

ATOM 4337 CG PRO B 191 108. .355 46, .438 49, .220 1, .00 63, .67 BBBB C

ATOM 4338 C PRO B 191 108 .120 44 .107 46 .945 1, .00 64 .05 BBBB C

ATOM 4339 O PRO B 191 108 .597 43 .271 46 .179 1 .00 64 .56 BBBB O

ATOM 4340 N ASP B 192 107. .056 43, .866 47, .699 1 .00 64 .29 BBBB N

ATOM 4341 CA ASP B 192 106 .408 42 .559 47 .718 1 .00 63 .77 BBBB C

ATOM 4342 CB ASP B 192 105 .454 42 .471 48 .927 1 .00 67 .67 BBBB C

ATOM 4343 CG ASP B 192 106 .139 42 .840 50 .250 1 .00 69 .63 BBBB C

ATOM 4344 ODl ASP B 192 107 .091 42 .132 50 .665 1 .00 68 .36 BBBB O

ATOM 4345 OD2 ASP B 192 105 .722 43 .848 50 .869 1 .00 69 .63 BBBB O fc fc fc fc c δ-3 fc c c t-3 t-3 t-3 H δ f i fc t-3 Hi t HI fc 1-3 fc Hi δ Hi fc

HI fc Hi fc fc

Hi t-3 fc H fc fc f fc fc t-3 fc t-3 fc fc fc fc t-3 H t-3 Hi t-3 1-3 t-3 ι-3 fc fc f fc t-3 t-3 H fc ι-3 fc HI fc H fc fc fc t-3 Hi fc H> fc HI H fc fc t-3 t-3 o d d d d d Ω d d d d d d d d d d d Ω d d d d d d Ω d d d d d d d d d Ω d d d d d

2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 rf* rf* rf_* rf_* rf* rf* rf_* rf_* rf* Φ. rf* rf_* rf*o rf* o rf*o rf* rf_* rf* t rfo_* rf_* rf* rf_* rf* rf* rf* rf_* rf_* rf o*o rf* rf_* rf* rf o_*o rf_* rf* Φ- rf* rf_* oo rf* o rf*o rf* rf_* ω oo o oo co cn σv σv cn m m in in LΠ in in ιπ in in rf_* rf_* rf_* rf_* m rf_* o vo ! in φ- to o vo oo cn in rf* o co LΠ rf* to to o

Ω Ω Ω a d Ω a Ω Ω Ω Ω Ω d Ω Ω Ω Ω Ω p a d Ω Ω Ω Ω p a d Ω Ω Ω d Ω Ω d Ω Ω

03 a a

Ω fc N GO 61 to to 03 a d α Ω to fc α α fc Ω Ω to H fc 03 fc Ω Ω

H fc tr* tr* ir* tr* t-ι tr* tr* t-ι tr* tr* ir* tr* tr* tr* tr* tr* tr* tr* tr* tr* tr* < < < < <S i

Ki CO to GO to CO GO t GO fc fc fc

£ s s fc s s FH & tr* fc t-3 ffi t-3 HI HI HI to fc o t to Ki Ki Ki Ki Ki Ki ffi ffi ffi ffi ffi ffi

G G G G cn cn ro cn cn cn cn G G G G G G G G tr* & fc fc fc fc fc X to to to to to o 13 1 to to 03 03 03 03 03 to to 03 to to to to 03 to to 03 to to 03 to 03 03 03 03 ω X 03 X 03 03 03 to 03 to 03 to to 03 to 0

H H H H H H> H H H H¹ H> H H H H H H H¹ H o vo vo vo vo vo VD vo f_* rf_* rf* vo cn cn cn cn cn en in LΠ LΠ LΠ in LΠ tπ r rf* rf_* ω t

H H H¹ H¹ H H> H H H H H H H H H< H H H H to o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o vj rf* o o to H Φ- cn tn rf* o o rf* φ. on LΠ LO φ- to oo cn i

LΠ en φ. φ- vo o cn to oo o φ- rf_* vo o Lπ in cn LΠ o C rf* Φ. o o in VD o en o in rf* o en rf* in in Φ. in H φ. CΛ o H* o cn vo en oo tπ in o H o vo oo o to tπ in in in LΠ in in LΠ in tn in m m in φ. rf* rf* rf_* rf* Φ> rf_* φ- rf* φ. rf_* rf* φ. rf* φ. rf* φ- φ- rf* rf* en en LΠ Φ. Φ- H> H> to co 00 oo o H o vo vo in cn LΠ LΠ m LO rf* oo to H* oo in H Φ. cn in o vo on o o H o o CΛ oo H> en φ. vo vo o H tn vo LΠ •~a φ- CO φ. in φ. cn o H in in vo oo co to o oo σ vo rf* o vo rf* rf* o vo o oo o oo o rf* φ- φ. Φ- rf_* φ. φ. rf* φ. oo to rf_* rf_* rf* rf* rf* φ. rf* rf_* rf* φ- φ. φ- φ. rf_* rf_* en o o rf_* o o va oo H> to o tn LΠ cn in en o φ- o LΠ o tn in to o H in to rf_* o tn en Lπ φ. in cn in φ- o n rf* in φ- LΠ rf_* rf* φ- en i in φ. to in en cn φ. φ. o co rf* tπ o cn to O vo co to oo σ to tn rf* LO in in o in o H o φ. o

H H H H> H H H H H H> H H H H H H H H H H H H H H¹ H o o o o o o o o o o O o o o o o o o σ o o o o o o o o o o o o o o o o o σ o o o o o σ o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o oo in rf* φ. rf_* φ- rf* φ- oo rf_* rf_* φ. rf* rf_* φ. rf* φ. rf* in in on tn in in LΠ cn en φ. cn oo vo oo φ- H> vo o o oo t rf_* to on tπ vo vo H en CΛ in to φ. LΠ φ> φ- oo tπ Φ- Φ- H cn in cn to in H in H oo o vo in o in in o rf* o in o to rf* rf* cn in in o to o

ω ω ω ω ω ω ω ω ω ω ω ω ω ω » ω ω ω ω ω o3 ω ω ω o3 ω ω ϋ3 θ3 ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ro ω o3 ω ro ω o3 to ϋ3 ϋ3 ω ω ω ω ω ω to ω ω ω ω ω ω ω ω ω ω ω ω o3 ω o3 ω ω ω o3 ω X X X X X X X X X X X X X X X X X X X X X X X X X X X 03 X X X X X X X X X X X X X X ϋ3 ω -o 03 3 ω ω ω ω ro ro ω ω ω ω w ω ω to to td 03 03 03 03 03 ϋ3 03 O3 O3 O3 D3 03 O3 03 03 D3 ω θ3 ω θ3 O3

Ω Ω Ω d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω Ω Ω d Ω Ω Ω a d Ω Ω d Ω Ω d Ω

ATOM 4388 CD1 LEU B 198 104.,442 57.,968 35.,969 1.,00 31,,15 BBBB C

ATOM 4389 CD2 LEU B 198 102. ,170 57. ,708 34. ,930 1. ,00 35. ,00 BBBB C

ATOM 4390 C LEU B 198 102, ,979 57. .527 39. ,363 1, ,00 39. ,34 BBBB C

ATOM 4391 O LEU B 198 101. ,852 57. ,679 39. ,866 1. ,00 39. ,48 BBBB O

ATOM 4392 N CYS B 199 103. ,989 58. ,367 39. ,590 1. ,00 39. ,54 BBBB N

ATOM 4393 CA CYS B 199 103. ,817 59. ,515 40. ,472 1. ,00 42. ,19 BBBB C

ATOM 4394 CB CYS B 199 104. ,387 59. ,200 41, ,860 1. ,00 44. .30 BBBB C

ATOM 4395 SG CYS B 199 106. ,192 59. ,392 42, ,014 1. .00 50. .49 BBBB S

ATOM 4396 C CYS B 199 104, ,449 60, ,804 39, ,956 1, ,00 41. .68 BBBB C

ATOM 4397 O CYS B 199 104. ,973 60. ,856 38. ,842 1. ,00 41. .19 BBBB O

ATOM 4398 N ASP B 200 104. .389 61, .835 40. ,800 1, .00 42. .42 BBBB N

ATOM 4399 CA ASP B 200 104. .925 63, .167 40. ,516 1. .00 44. .27 BBBB C

ATOM 4400 CB ASP B 200 106. .449 63, .125 40. .393 1. .00 47, .87 BBBB C

ATOM 4401 CG ASP B 200 107, .057 64, .514 40. .242 1. .00 53, .89 BBBB C

ATOM 4402 ODl ASP B 200 108. .286 64, .610 40. .025 1. .00 56, .09 BBBB O

ATOM 4403 OD2 ASP B 200 106. .305 65. .511 40. .344 1. .00 56, .87 BBBB O

ATOM 4404 C ASP B 200 104. .349 63, .822 39. .264 1. .00 41, ,57 BBBB C

ATOM 4405 O ASP B 200 105, .016 63, .876 38. .233 1, .00 41, .59 BBBB 0

ATOM 4406 N PHE B 201 103, .122 64, .331 39. .359 1, .00 39, .73 BBBB N

ATOM 4407 CA PHE B 201 102, .483 64, .982 38, .220 1, .00 38, .12 BBBB C

ATOM 4408 CB PHE B 201 100, .992 64. .666 38. ,208 1. .00 35, .67 BBBB C

ATOM 4409 CG PHE B 201 100. .692 63, .219 37. .929 1. .00 37, .02 BBBB C

ATOM 4410 GDI PHE B 201 100, .915 62, .247 38. .903 1, .00 40, .05 BBBB C

ATOM 4411 CD2 PHE B 201 100, .227 62, .822 36, .680 1, .00 34, .79 BBBB C

ATOM 4412 CEl PHE B 201 100, .682 60 .894 38, .638 1, .00 37 .57 BBBB C

ATOM 4413 CE2 PHE B 201 99 . .990 61, .476 36, .404 1, .00 42, .28 BBBB c

ATOM 4414 CZ PHE B 201 100, .220 60, .509 37, .389 1, .00 36, .73 BBBB c

ATOM 4415 C PHE B 201 102, .711 66, .491 38, ,189 1, .00 36, .36 BBBB c

ATOM 4416 O PHE B 201 101, .934 67 .242 37, .604 1, .00 36 .86 BBBB 0

ATOM 4417 N GLY B 202 103 .806 66 .919 38, .806 1, .00 34 .50 BBBB N

ATOM 4418 CA GLY B 202 104, .138 68, .326 38. .847 1, .00 37, .70 BBBB c

ATOM 4419 C GLY B 202 104, .391 68 .946 37, .486 1, .00 38, .54 BBBB c

ATOM 4420 O GLY B 202 104, .360 70 .169 37, .357 1, .00 40 .91 BBBB 0

ATOM 4421 N SER B 203 104 .645 68 .126 36, .471 1, .00 37 .25 BBBB N

ATOM 4422 CA SER B 203 104 .899 68 .649 35 .133 1 .00 39 .11 BBBB C

ATOM 4423 CB SER B 203 106, .191 68 .074 34, .571 1, .00 40 .86 BBBB C

ATOM 4424 OG SER B 203 107 .271 68 .389 35, .423 1, .00 46 .61 BBBB O

ATOM 4425 C SER B 203 103 .758 68 .303 34 .209 1, .00 39 .02 BBBB C

ATOM 4426 O SER B 203 103 .676 68 .796 33 .089 1 .00 36 .75 BBBB O

ATOM 4427 N ALA B 204 102 .869 67 .451 34 .691 1 .00 40 .69 BBBB N

ATOM 4428 CA ALA B 204 101 .734 67 .040 33 .889 1 .00 44 .32 BBBB C

ATOM 4429 CB ALA B 204 100 .882 66 .032 34 .659 1 .00 41 .57 BBBB C fc fc fc fc fc fc fc I HI fc fc fc fc fc f fc fc f -3 fc c

Hi fc Hi f fc Hi δ c fc fc

H fc c Hi δ fc δ H fc fc δ HI fc δ H fc fc

H ι-3 Hi c δ H δ ι-3 fc fc

Hi Hi H HI ι δ H δ f i δ ι-3 d d d Ω d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d Ω Ω d d d

2 3 3 3 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 rf* rf_* rf_* rf* rf* rf_* rf* rf* rf_* rf_* rf* rf_* rf* rf_* rf* rf* rf* rf_* rf_* rf* rf* rf_* rf* rf_* rf_* Φ. rf* rf_* rf* rf* rf* rf_* rf* rf* rf* rf* rf* rf* rf* rf_* rf* rf_* rf* rf_* rf> rf_* cn cn rf* Φ. rf* rf_* rf* rf_* rf* rf* Φ. rf* rf* rf* rf_* rf* Φ- rf_* rf* rf* rf* Φ. rf_* rf* rf*

CΛ en en cn in in LΠ Lπ LΠ o rf* rf* rf* rf* Φ- w oo vo cn rf> o vo en in rf* OJ to H¹ o o -a in to o iπ to o

Ω a Ω Ω Ω

61 tn 9 a d Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω a d Ω Ω Ω p a d Ω a Ω Ω Ω Ω Ω

61 Ω 03 to a d Ω

N GO α t) Ω 03 to fc O α Ω to fc GO CO to α Ω 03 fc fc

≥ tr* t δ δ δ δ δ tr* tr* X Ir* Ir* tr* tr* Ω o t to t to t to

61 61 Ω 61 Ω 61 0 tr* g 0 X g 0 X g 1 GO GO to to to CO CO o Ir*

61 G G G G G G G G a £ a

03 03 03 to to 03 03 to to X 03 X 03 to to 03 03 03 X 03 to 03 03 03 03 ω 03 03 X to to to to 03 03 to 03 to to 03 03 03 to to to to co to to o o o o o o o o σ o o σ o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o vo o o vo vo oo oo -a cn cn cn cn in tπ LΠ m in in LΠ LΠ rf_* rf_*

H H> vo vo vo vo vo vo vo vo vo vo vo vo o vo vo vo vo σ vo o o rf* cn in rf_* cn cn en co vo o o o t o cn -o oo o o en en o o cn o to H rf* to vo rf_* in rf* rf_* o cn o cn φ. vo vo cn rf* tn to to o φ. to rf* vo o o vo ^•~a o oo o vo tn o cn in H o o cn cn cn cn en en en cn en en cn en cn en cn oo o o o o o vo cn vo o

oo oo o vo co rf* cn o cn H vo φ- cn H o m oo o m rf* σ oo vo rf* H tn o o in o oo co cn vo co cn vo o rf_* oo to in o φ- oo o oo co oo cn oo en vo to t to to to to o to to to oo oo to to vo o to cn rf_* rf_* in in tπ tn in vo o o o H o vo o to o φ. o co o tπ in tn to en cn H o vo en rf_* en rf_* vo to vo o o en en in o H H o o o H en oo H vo to en oo rf_* oo oo o en to o o o cn in

H H H o o o o o o o o o o o o o o σ o o o o o o o o σ o o o o o o o o σ o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o σ o o o o o en tπ rf_* rf* rf_* in φ. rf_* rf_* rf_* rf* in cn en in tn in m rf_* to en m σ> vo o oo oo vo H Φ- in oo rf* rf* o en en en

H en vo in o vo rf* cn cn o en o to tπ to σ rf* o tn to to H oo m o to t en cn o

ω ω ω ω ω ω ω ω ω ω o3 θ3 ω ω ω ω to ω ω ω ro ω ω o3 ω ω ω ω ω ω ω to ω to ω ω

D3 3 03 ω 03 ω ro ω D3 03 03 03 03 03 to W 03 O3 ω ro ro θ3 03 D 03 -O O3 x x x x x x x x x x w x x x x x a x x x x x x x x ω a x x x x x x x x x x x x x x x a x x x ω x x a x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x

Ω a Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω d Ω a d Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω

ATOM 4472 NHl ARG B 209 92..804 65,.872 16..947 1.,00 82,.77 BBBB N

ATOM 4473 NH2 ARG B 209 91. ,003 66. ,148 18. ,347 1. 00 82. ,91 BBBB N

ATOM 4474 C ARG B 209 95. .028 72. .424 20. ,258 1. 00 55, .90 BBBB C

ATOM 4475 O ARG B 209 93, .955 72 .964 20, .533 1. .00 55, .47 BBBB O

ATOM 4476 N GLY B 210 96 , .081 73, .090 19, .795 1. ,00 54, .96 BBBB N

ATOM 4477 CA GLY B 210 96, .000 74 .517 19, .547 1, ,00 58, .62 BBBB C

ATOM 4478 C GLY B 210 96, .739 75. .325 20, ,597 1, ,00 60, .19 BBBB C

ATOM 4479 O GLY B 210 97. .539 76, .200 20, .258 1. ,00 60, .97 BBBB O

ATOM 4480 N GLU B 211 96. .469 75, .040 21, .870 1, .00 59, .59 BBBB N

ATOM 4481 CA GLU B 211 97. .116 75. .739 22, ,978 1. 00 58. .07 BBBB C

ATOM 4482 CB GLU B 211 96, .347 75, .481 24, .271 1, .00 60, .63 BBBB C

ATOM 4483 CG GLU B 211 94. .876 75, .868 24, .160 1. ,00 65, .73 BBBB C

ATOM 4484 CD GLU B 211 94. .070 75, .519 25. ,402 1. ,00 70. .80 BBBB C

ATOM 4485 OEl GLU B 211 92, .847 75, .805 25. .416 1. ,00 71, .77 BBBB O

ATOM 4486 OE2 GLU B 211 94. .661 74, .957 26. .359 1, ,00 73. .64 BBBB O

ATOM 4487 C GLU B 211 98, .546 75, .231 23, ,092 1, ,00 53. .62 BBBB C

ATOM 4488 O GLU B 211 98. .773 74. .051 23. .357 1. ,00 52. .25 BBBB 0

ATOM 4489 N PRO B 212 99. .529 76. .125 22. .888 1. ,00 50. .55 BBBB N

ATOM 4490 CD PRO B 212 99, .322 77 .578 22, .760 1, .00 48, .04 BBBB C

ATOM 4491 CA PRO B 212 100, .962 75, .814 22, .946 1. .00 48. .17 BBBB C

ATOM 4492 CB PRO B 212 101. .620 77, .142 22. ,577 1. .00 46. .69 BBBB C

ATOM 4493 CG PRO B 212 100, .673 78 .133 23, .156 1. .00 44, .34 BBBB C

ATOM 4494 C PRO B 212 101. .448 75, .276 24, .287 1, .00 46. .80 BBBB C

ATOM 4495 O PRO B 212 100, .902 75, .605 25, .342 1. .00 46, .03 BBBB O

ATOM 4496 N ASN B 213 102, .483 74, .444 24, .225 1. .00 44, .94 BBBB N

ATOM 4497 CA ASN B 213 103. .060 73, .840 25. .407 1. .00 40. .74 BBBB C

ATOM 4498 CB ASN B 213 102 .789 72 .341 25 .387 1, .00 43, .13 BBBB c

ATOM 4499 CG ASN B 213 101, .306 72, .014 25. .233 1. ,00 45, .04 BBBB c

ATOM 4500 ODl ASN B 213 100, .494 72, .286 26, .128 1, .00 44, .47 BBBB 0

ATOM 4501 ND2 ASN B 213 100, .946 71. .433 24, .090 1. .00 40. .65 BBBB N

ATOM 4502 C ASN B 213 104. .554 74. .116 25. .408 1. ,00 39. .18 BBBB C

ATOM 4503 O ASN B 213 105. ,188 74. .150 24, .359 1. .00 40. .11 BBBB O

ATOM 4504 N VAL B 214 105. .111 74. .322 26, .591 1. .00 35. .08 BBBB N

ATOM 4505 CA VAL B 214 106, .534 74, ,611 26, .735 1, .00 36, .91 BBBB c

ATOM 4506 CB VAL B 214 106 .860 74 .844 28 .231 1 .00 33 .76 BBBB c

ATOM 4507 CGI VAL B 214 106, .628 73, .562 29, .015 1, .00 34. .97 BBBB c

ATOM 4508 CG2 VAL B 214 108, .281 75, .338 28, .397 1, .00 36, .47 BBBB c

ATOM 4509 C VAL B 214 107 .441 73, .502 26 .151 1 .00 39 .13 BBBB c

ATOM 4510 O VAL B 214 107, .155 72, .313 26 .289 1 .00 40, .99 BBBB 0

ATOM 4511 N SER B 215 108 .535 73 .885 25 .502 1 .00 39 .56 BBBB N

ATOM 4512 CA SER B 215 109 .416 72, .892 2 .915 1 .00 42, .19 BBBB C

ATOM 4513 CB SER B 215 110, .180 73, .487 23, .741 1, .00 42, .39 BBBB c ATOM 4514 OG SER B 215 109..373 73,.476 22,.579 1.,00 48.,90 BBBB O

ATOM 4515 C SER B 215 110. .396 72, ,286 25, .897 1. ,00 43. .78 BBBB C

ATOM 4516 O SER B 215 110. .555 71, .068 25. .957 1. ,00 44. ,30 BBBB O

ATOM 4517 N PTR B 216 111. .078 73, .129 26, .653 1. .00 42. ,68 BBBB N

ATOM 4518 CA PTR B 216 112. .028 72, .616 27. ,631 1. .00 43. .29 BBBB C

ATOM 4519 CB PTR B 216 112. .861 73, .758 28. .217 1. .00 41. .81 BBBB C

ATOM 4520 CG PTR B 216 114. ,119 73. .313 28. .923 1. ,00 46. ,17 BBBB C

ATOM 4521 CD1 PTR B 216 115. ,216 72, .833 28. .203 1. ,00 44. .58 BBBB c

ATOM 4522 CEl PTR B 216 116, .381 72, .405 28, .855 1. .00 47, .58 BBBB c

ATOM 4523 CD2 PTR B 216 114. .209 73, .356 30. .312 1. .00 46, .15 BBBB c

ATOM 4524 CE2 PTR B 216 115, .365 72, .931 30, ,976 1, ,00 47, ,08 BBBB c

ATOM 4525 CZ PTR B 216 116. ,452 72, .456 30. ,247 1, .00 48. ,83 BBBB c

ATOM 4526 OH PTR B 216 117. ,629 72, .067 30. ,929 1. .00 54. .44 BBBB 0

ATOM 4527 P PTR B 216 117. .954 70, .561 31. .160 1, .00 56, .28 BBBB P

ATOM 4528 OIP PTR B 216 118. .544 70, .027 29. .884 1. .00 56. .49 BBBB 0

ATOM 4529 02P PTR B 216 119. .028 70, .524 32, .195 1. .00 57, .94 BBBB 0

ATOM 4530 03P PTR B 216 116. .759 69 , ,778 31, .603 1. .00 54, .85 BBBB 0

ATOM 4531 C PTR B 216 111. .195 71, .954 28, .730 1, .00 44, .64 BBBB c

ATOM 4532 O PTR B 216 110, .681 72 .622 29, .626 1, .00 43, .54 BBBB 0

ATOM 4533 N ILE B 217 111. .055 70, .639 28, ,650 1, .00 43, .13 BBBB N

ATOM 4534 CA ILE B 217 110, .266 69 .907 29, .626 1, .00 41, .99 BBBB c

ATOM 4535 CB ILE B 217 108. .779 69 . ,893 29. ,169 1. .00 39. .88 BBBB c

ATOM 4536 CG2 ILE B 217 108. ,644 69, ,140 27. .846 1, .00 36. .78 BBBB c

ATOM 4537 CGI ILE B 217 107. .880 69, .320 30. .265 1, .00 39, .52 BBBB c

ATOM 4538 GDI ILE B 217 107. .564 70, .289 31, .380 1, .00 36. .65 BBBB c

ATOM 4539 C ILE B 217 110, .874 68, .501 29. .704 1, .00 42, .39 BBBB c

ATOM 4540 O ILE B 217 111. ,634 68, .118 28. .808 1, .00 45. .39 BBBB 0

ATOM 4541 N CYS B 218 110, .562 67, .754 30. ,767 1, ,00 43, .11 BBBB N

ATOM 4542 CA CYS B 218 111, .101 66 .399 30, .987 1, .00 44, .66 BBBB c

ATOM 4543 CB CYS B 218 111, ,028 65, .539 29, .722 1, ,00 49, .83 BBBB c

ATOM 4544 SG CYS B 218 109, .399 65 .100 29, .165 1, .00 62 .76 BBBB s

ATOM 4545 C CYS B 218 112. ,564 66. .444 31. .407 1. .00 41. .17 BBBB c

ATOM 4546 O CYS B 218 113, .255 67, .432 31, .174 1. ,00 36, .38 BBBB 0

ATOM 4547 N SER B 219 113, ,040 65 .368 32, .021 1, .00 39, .84 BBBB N

ATOM 4548 CA SER B 219 114, ,437 65, .310 32. .416 1, .00 39, .67 BBBB C

ATOM 4549 CB SER B 219 114, .701 64 .089 33, .281 1, .00 40, .75 BBBB c

ATOM 4550 OG SER B 219 113, .825 64 .085 34, .391 1, .00 50, .30 BBBB 0

ATOM 4551 C SER B 219 115, .201 65 .194 31, .116 1, .00 40. .42 BBBB c

ATOM 4552 O SER B 219 114 .745 64 .529 30, .189 1 .00 39 .61 BBBB 0

ATOM 4553 N ARG B 220 116, .359 65 .837 31, .042 1, .00 41 .05 BBBB N

ATOM 4554 CA ARG B 220 117, .153 65 .814 29, .825 1. .00 41. .77 BBBB C

ATOM 4555 CB ARG B 220 118, .542 66 .378 30. .108 1. .00 42, .58 BBBB C fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc f fc c c fc fc fc f

HI H t-3 t-3 t-3 t-3 f c

Hi Hi t-3 t-3 t-3 t-3 H t-3 δ t-3 c t-3 t-3 t-3 t-3 δ f

H fc fc f ι-3 Hi Hi HI δ t-3 t-3 t-3 δ ι-3 δ c fc fc fc fc fc fc fc fc fc fc fc ι-3 Hi HI t-3 t-3 t-3 H t-3 ι-3 t-3 H HI

O O d d d d d d d d d d d d d d d d d o O O d d Ω d d d Ω O O d d d d d d d d d d d

3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 rf* rf_* Φ- rf* rf_* rf_* rf* rf_* rf_* rf_* rf_* rf* rf* rf_* rf_* rf_* rf* φ. φ. φ. rf* φ. rf* rf* rf_* rf* rf* rf* rf_* rf* rf* rf* rf_* rf* rf_* rf* rf_* rf_* Φ- rf* tπ in in in tπ tn tπ in in in in tπ tπ tπ in tπ tπ tπ m in in Lπ in in tπ tπ tπ in in m in in vo va va cn cn cn cn cn cn in in m m v cn in rf_* H en rf_* to H o vo en m oo to o vo co cn in rf_* o vo o a « Ω a Ω Ω Ω p a d Ω d Ω Ω Ω Ω Ω Ω Ω p a d Ω d Ω Ω Ω Ω Ω Ω Ω p a d Ω a g Ω fi ffi N t X a Ω Ω f Ω 03 fc ffi N CO X GO O 61 03 fc ffi t i t α GO α Ω 03 fc ffi ffi tsa CO X Ω

H H H H> is i iS iS is iS is is is HI Hi H t-3 Hi Hi Hi t-3 t-3 t-3 HI t-3 t-3 t-3 t-3 ι-3 t-3 H H H t-3 t-3

Ki Ki Ki Ki Ki Ki κ| Ki κ| Ki Ki Ki Ki Ki Ki δ JO δtO δfO δfO δtO tδO δtO δfO

Ω Ω Ω Ω Ω Ω Ω Ω 61 61 to t to to X to to X X to X X to to to to X to to t X to to Ω Ω Ω Ω Ω Ω Ω Ω

03 03 03 ω 03 03 03 03 to 03 03 03 03 03 X to to X 03 X 03 03 X 03 03 03 03 X to to 03 X to 03 to 03 03 to to to to 03 to to to to to to to to to to to to to to to to to t to to to to to to to to to to to t to to oo oo lo to to to to to H o o o o o o o o

H H H> H H> H H H H H H H H to H H> H> H H H H H to to to to

00 m in rf_* φ. cn tπ φ. in tn rf_* in σ. cn to o o ~ H o o σ o o o vo oo H o φ- rf* cn in oo φ. Φ- en to en in o σ to in tn o vo in o en to vo rf* in to in cn H o o rf_* φ. o to φ- en o rf* o in rf* cn in cn cn cn en cn cn en cn cn tπ in tn tπ in tn cn en cn cn cn en en en en en cn cn en in o o H H to rf* rf* to o in o vo cn vo -a to o cn to tπ H o rf_* rf_* o -o in rf_* φ. en to to o cn vo vo rf_* en o v H to φ. rf_* o rf_* cn cn en H tπ tn en oo o o cn in o H in H m H¹ H rf_* in Φ- cn cn t to to oo to oo to to tn cn cn cn en o to vo to o o H¹ o o vo vo h³ H o vo o o cn in in cn cn H> oo co o H rf_* H tn to o oo en o in en -a rf_* cn H vo o iπ o m rf_* rf* cn on o in m in φ- rf_* rf_* tπ cn en in rf_* on to

H> H H H H H H H H* H H H H H H H¹ H o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o

ω ω ro ω ω ω ω to ω o3 ω o3 ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ω ω ro ω O3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω o3 ω o3 ω oβ ω o3 w ω ω ω ro ω ω ω ω ω ω ω ω ω o3 t-3 03 03 O3 ω ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω o3 to ω ω ω ω ω ω ω o3 θ3 3 θ3 to td ω ω ω ro ω ω ω ro ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω to o3 ω ω ω ω ω ω ω ω ω

Ω a a Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω Ω Ω Ω d Ω d Ω Ω Ω Ω Ω Ω Ω a d Ω a Ω a Ω Ω

rf_* rf_* rf_* rf_* rf_* φ. Φ- φ. φ. Φ- Φ. rf* rf_* rf_* rf_* rf* φ. Φ. Φ- Φ. Φ- Φ- φ. Φ- φ. Φ- φ. Φ- Φ. Φ- cn en cn CΛ cn en CΛ CΛ en CΛ CΛ en CΛ CΛ en CΛ CΛ CΛ en CΛ cn CΛ en en cn CΛ CΛ cn CΛ cn

LO LO 00 ω oo OJ LO LO 00 0J CO CO O to CO CO CO CO t CO H> H H H> H> H> H> H> H H vo co vl CΛ on Φ- OJ CO H> o O co CΛ m rf* 00 CO H o vo 03 v] CΛ in Φ- 00 CO H o

13 13 13 13 Hi HI H H H H H H Ir* tr* tr* tr* X tr* X tr* Ω Ω Ω Ω 61 Ω Ω 13 13 13 13 ffi ffi ffi ffi t* tr* Ir* X Ir* tr* ir* tr* to to t t to GO t to tr* X tr* tr* X to to t CO GO CO CO CO CO to to to CO GO G G G G G G G G G G 3 G G G G d Ω d 8

03 03 03 03 03 03 t to 03 to 03 to 03 X 03 03 to 03 03 03 03 to to 03 03 o to to to to 03 to 03 03 to X 03 03 03 ω 03 to to CO to CO to CO CO O CO to O to to to CO to O to to CO CO CO O CO to to CO CO to CO O CO CO CO CO to > CO CO to CO to

CO DO CO to O DO to CO CO O O to CO to CO CO CO CO CO CO to CO to to CO CO CO CO CO CO to CO CO O to CO CO CO CO CO CO CO vo VD vo VD 03 03 CO 00 CO CO CO 03 v] •vl vl vl vl v] vl vl CΛ CΛ en CΛ CΛ CΛ en en CΛ tn in m in in in in φ- φ- φ. Φ. φ. LO

H> H> H H> H H H H> H> H> H> H H» H¹ H H H> H¹ H> H> H> H H> H> H H> H H H H H H> H H H> H> H> H> H¹ H¹ H H> H> H H H H H> H¹ H H> H H H O o O H H H> H> o o o O o H H¹ H H H> H H H¹ H¹ H> H> H H H H¹ rf* LO OJ to rf* en tn vl in φ. 00 CO CO 00 VD VD O H O O O •vl VD CO 00 vo o H J CO 00 0J 00 O CO CO to O H¹ H" rf*

CO H> LΠ vl ^■vl en va H> vl v] 0J in oo LΠ 03 cn VD σ CO 00 -a rf* Φ- rf* Φ- H¹ w OJ CO cn 00 LΠ 00 CO CΛ in OJ H cn D H¹ 0J H> CO H¹ oo 00 vo H> J OJ O v] H> vl φ. 00 to CO O LO φ. CΛ VD l en to o vo LΠ tn tn to rf* 03 tπ VO en φ. φ. J o on li00 cn φ. LO H O rf* o vl H> vo in oo VD φ. LO rf* 03 O H> O H j vl v] H o LΠ to o LΠ vo vl vo φ. H vl en -J CO o en v] vl vl -J ^•vl cn cn cn cn cn CΛ vj CΛ en CΛ CΛ cn cn cn cn cn cn en CΛ CΛ CΛ cn CΛ en CΛ CΛ σi CΛ cn cn cn CΛ CΛ cn cn en o o o O H O en va 03 03 o 00 o O 03 cn -a 00 VD co VD CO Φ- rf* rf* σ. CΛ vl cn CΛ CO rf* φ. CO Φ» LΠ φ. oo LO oo 00 rf* o vo H> H> 00 t Φ- 00 to φ. VO 00 -J cn ^■vl cn σ O in rf* H to CO 00 VD CO o CO H¹ CΛ o 00 •-a o cn φ. in rf* CO en o 00 m vl tn rf* CO 00 03 O CΛ CO vo o to o o to CO rf* vl o va rf* O H 00 vl vo cn VO CO o vo CD CO o tπ O 00 o tπ v] φ- vl oo vl CO to en to H VO 00 H LΠ CO in in H LΠ in rf* 03 H CO H vl CΛ H to O o VD in CO CO cn VD oo CO vo H

H H> H> O to to CO CO to to CO to to CO CO CO CO to to H* CO O H CO H> H> H H> H H¹ H H CO O CO CO CO CO O CO cn vl CO VD O O CO CO H H H> H> to to rf* LΠ φ. oo CO H¹ vo o o VO VD o 03 VD VD vo VO VO 03 o o o to O to 0J rf* φ.

Φ- H LO in H> 00 en CΛ to φ. CΛ 03 rf* DO OJ to o ^•vl 0J to cn o Φ- rf* VD o 03 o OJ cn en CO va VD CO VD in H 00 H in 00

0J cn to rf* VO 03 in vo o tπ CO H rf* o v] 03 00 H> tπ vo φ. H ω VD vl H H> o CΛ Φ- in in LΠ vo in OJ ! CΛ H> CO vl o J CΛ rf* O rf* •vl vl H Φ> CO CΛ CO vl CO vl CΛ 00 vl 00 LΠ va H¹ CO H> rf* 03 0J VD O CΛ LO in 03 H o CΛ CO CO rf* LΠ

H» H^» H H> H¹ H> H H H H H H H H H H H H H H¹ H H H> H H H H> H¹ H> H> H" H> H¹ H¹ H¹ H" H H¹ H H H o o o O O O O o O o o O o o o o o O O O O o o o O O O o O O O o o o O o o O O o o o o σ O O O O o o o o O O o o o o O o O O O o o O O O O o O O O o o o O o o O o O o o tn LΠ Φ- rf* rf* rf* 00 OJ φ- φ. φ. φ. rf* rf* LO LO 00 oo OJ φ. rf* rf* φ. rf* φ. rf* rf* φ. 0J OJ oo OJ OJ LO LO LO 00 to 0J LO OO LO o o -o 00 VD CΛ cn VD cn CO CO o O o VD Φ- •j 00 VO o O o 00 H φ. to o o •vl vl CΛ VD vj 1 tn v cn tn tπ rf* rf* in vo •j rf* in OJ v3 cn in o 03 O to vl VD vl o 00 H CO cn o -a CO vl CO -1 en 03 H CO v LO LΠ in CO v oo tπ cn O rf* vo vo in CO in VD VD vl OJ OJ φ- H o o CO CΛ CO O rf* O H vl vo VD vl to o en 00 en to H> H¹ φ. H¹ vo OJ oo o CΛ o o

M ro M w ro ro w w o3 W 03 ro ro ro ro ro ro ro w M ro to ro w ro to ro ro ro ro w w o3 -d 03 03 03 ro ro ro to to ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω os ω ω ω ω ω ω w ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ro o θ3 ω ro ro ro -o o3 ro ro M ro ro to ω ω ro ro ro o3 ro o3 θ ω o3 ω -d ro -o co ω o3 ro o3 ro D3 ro ro to ro o3 W 0 M ro -d 0 ro o3 ro w ro ro w ro o3 ro o3 to o3 ro o 03 ro M

Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω d d Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω Ω a d

rf* rf_* φ- Φ> rf* Φ- Φ- rf_* Φ- rf* *_* rf_* rf* rf* Φ- φ- Φ. φ. φ. φ. Φ- φ. φ. φ. rf* rf_* rf* rf* Φ> Φ- Φ- rf* φ. Φ- φ- rf* rf* Φ. Φ- Φ. Φ. rf* en cn en cn en cn en CΛ CΛ cn CΛ CΛ en cn cn cn CΛ cn CΛ CΛ cn en CΛ CΛ CΛ en en CΛ en cn cn cn cn en CΛ en CΛ CΛ CΛ cn cn cn

00 CO va vl -J vl va v] vl vl v] cn CΛ cn cn en cn en en cn cn in in in LΠ tπ in in in LΠ LΠ Φ- Φ- rf_* rf_* φ. Φ- Φ- Φ- rf* rf*

H o VD 00 vl cn tπ Φ- 0J CO H> o VD 00 cn in φ. 00 CO H o vo 00 vl en in rf* to CO H o VO 00 ! cn in rf* OJ CO H o

H HI Hi t-3 t-3 t-3 H t-3 HI t-3 c fc fc fc fc fc c 3 H Hi Hi fc Ω Ω Ω Ω 13 13 13 13 13 13 13

Ki j K! Ki Ki Ki Ki Ki Ki Ki f cn cn cn fc CQ cn CQ ω f ι-

CQ fif ffi ffi ffi ffi I ϊ I 13 tr* f ffi ffi ffi ffi ffi

X to to X to to X t to X X 13 13 13 13 13 13 13 13 to to to to to to to ϊ Ir* X tr* ffi fi

Ki Ki Ki κ| GO to GO CO CO CO CO

X 03 03 to 03 to X to 03 X to to 03 03 to to 03 03 to 03 03 to 03 03 03 03 X to X to to 03 03 to to tα to 03 03 03 to to

CO CO t to to to CO CO O CO CO CO O O to to to CO CO CO to to to to CO CO CO CO to CO CO to CO CO CO CO CO CO CO O CO to oo 0J 00 OJ CO co CO oo OJ oo OJ LO LO CO 00 00 LO LO J co oo LO OJ LO 00 OJ 00 LO LO 00 LO 00 00 LJ OJ to to CO CO CO DO to φ. φ. Φ- Φ- rf* φ. φ. rf* Φ. rf* rf_* 00 LO 00 00 00 LO LJ 0J DO to to to DO CO to H H> H> H H o o o o vo VD VO VD vo VD vo

H H H H> H H H> H¹ H¹ H H H> H" H* H> H> H> H> H> H" H> H H> H H H< H H> H H H H H H H H H> H¹ H H> o O o o o o o o o o o o O o o o O o O o O O O O O O O o w o o o o o H H> H H H H> H H H

CO tn LΠ in φ- rf* rf* rf* LO oo H> to 0J Φ- OJ to O 00 to 00 CΛ Φ- in in CΛ v] -J ^■vl -1 o 03 vo H> to to to CΛ tn LΠ Φ- φ. tn H¹ o vl v] 0J O vo VD v] in VO cn O cn rf* CO tn vl VD CO CΛ CΛ CO CO O ιπ H¹ cn VD LO VD v] CO H oo CΛ 0J vo v 03 CΛ

H rf_* CO cn o rf* vo va CΛ o o cn rf* 00 H¹ vo 00 VO o vj 00 CO to cn VO σ Lπ vo to rf_* vl LΠ 00 Φ- H> CO CO o H> LΠ v] vl in vl rf* CO o LO H CO o OJ LO O vl to rf* v CO vo 00 O Φ- φ. CO φ. L o in VD φ. o vl CΛ o H> 00 CO H φ. v to

CΛ ^■vl vl vl en en on cn cn cn cn cn v] v] -j vl v] v] v] va va vj vl vl vl vl -J v] vl v] vl v] va CΛ cn CΛ va CΛ -0 o o o vo 03 oo 03 03 03 o VD O H> H¹ H CO H> O oo OJ in in iπ LO CO H to o H H rf_* OJ 00 to O CO 00 vo v o CD tπ CΛ o tn vo 03 O o CO cn rf* H o cn in o cn to LO o LΠ rf_* o LΠ VD VO CO to vl VD H* CO rf_* LO vl H H Φ- LΠ o H

CΛ φ- 00 CΛ CO en LO φ. o LO CΛ o J φ. tn OJ H> 00 H O co -j M σ 00 cn LO φ. CO VO 03 rf_* 00 -J vo O CΛ CO H> J rf_*

LΠ H> o va φ. CD H> 00 00 00 J cn H vo LΠ VO CO O 00 O O va 03 to VO Φ. CO OJ vo v] 03 rf_* rf_* to o VD CO H" vo oo in

CO O CO CO O to to CO O O CO H> H H H H> CO CO CO to O CO CO CO CO H¹ H> H H H H H H H¹ H H H> H¹ H CΛ LΠ φ. OJ in LO CO H o o co VD cn v3 vl 00 VO VO H H H o H H> O H¹ o VO VD VO VO vo VO vo vl CO in Φ- CΛ on CΛ rf* LΠ LO CO o H* vo 00 m va in 00 CΛ o φ- H o in VD v3 O φ. H 00 00 CO cn φ- H CO LΠ cn cn VD cn φ. Φ- o CΛ H OJ CO o CΛ LO φ. H> vo in tπ CO H H> vo H CO vo LO tn o in o H¹ OJ O O H> oo Φ> VD OJ VO H 00 vl H CD CO vl LO tπ CO tn O

CO o o 00 H to va o vo CO rf* vo v] ^■vl VD to va 03 rf_* H H O rf_* CO 00 φ. φ. CΛ in σi o vl vl v] vo H H 00 tπ O to VO

H H H H> H H H> H¹ H H> H H H H> H H H> H H H H H H H H> H H H H> H> H> H H H H M H¹ H M H H> H o o o o σ o o o o o o o O o o o o O O O O O O O O o O O o o o o o σ o O O o o O o O o o o o o o o o o o o o O o o o o O O O O O O O O o O o o o o o o o o O O o o O o O

LO OJ LO 0J 00 0J 00 rf* rf_* 00 rf* rf_* φ- LΠ tπ in rf* rf_* rf* rf* Φ- OJ Φ- Φ- φ- φ. φ. Φ- Φ- rf* φ. rf_* rf_* LO Φ- φ. Φ- in LΠ in Φ- tπ VO VO in VO VD CΛ H VD rf_* vj φ. φ. φ. σ in LO O OJ O cn CO O o CO to 0J H CO CO CO H> vo 00 CO vj o o to VD to

O tn m O vo O tn LO o in to LO vo φ. to en LΠ LΠ VD 0J CO LO CΛ φ. 00 o in o OJ CO 00 in tπ to in LO CO H D tπ rf* CΛ LO H¹ 00 CΛ o o vi o cn vo H vo 03 cn vo oo LO -0 VD O cn in cn vl o in CO to VD φ. vl cn H cn CO O in CΛ CO vj o

03 to 03 03 03 03 to 03 to 03 to to to to 03 03 to 03 03 03 to 03 03 to 03 03 to 03 03 03 03 03 03 X 03 to to 03 to 03 to to 03 03 03 03 to to to 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 ωto to to 03 to 03 03 03 03 X 03 03 03 03 03 03 to to 03 03 03 03 to to 03 03 03 03 03 03 03 03 03 03 03 to 03 03 03 03 03 0 03 to 03 03 03 03 03 03 X 03 03 03 03 03 03 to to 03 03 03 03 03 03 03 03 03 03 03 03 0ω 03 3 03 03 03 03 03 to 03 03 03 03 03 ω3 03 to 03 03 03 03 03 03 03 03 03 03 03 03 03 to

Ω d Ω Ω Ω Ω Ω Ω Ω Ω a d Ω d O Ω Ω Ω a O Ω Ω O Ω O a Ω Ω Ω Ω a d Ω Ω a d Ω Ω O Ω Ω Ω

fc fc fc fc fc fc fc fc fc fc fc fc fc δ fc fc fc δ fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc

Hi Hi Hi HI Hi ι-3 ι-3 Hi t-3 ι-3 H HI HI HI ι-3 H ι-3 H δ fc fc fc

Hi Hi d d O d d d d d d d d d d d d d d Q d d d d d d d d d O O d d d d d d d d d d d d d

2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2

Ω Ω π Ω Ω a d Ω d d Ω Ω 9 a d Ω Ω Ω Ω Ω 9 a d Ω d Ω p a O Ω d Ω p a d Ω Ω d Ω p a d

Ω Ω to fc O α Ω 03 O O Ω 03 fc Ω 03 fc Ω 03 fc Ω Ω 03 fc co to

<! <! < < fc fc fc fc fc fc fc fc cn cn ro cn n ro cn t-3 t-3 ι-3 Hi Hi t-3 H ι-3 fc fc fc fc fδ fc cn ω n cn tr* Ir* t ¹ tr* t* t* tr* tr* GO CO GO GO GO GO to GO GO CO GO GO ffi ffi ffi ffi ffi ffi ffi Ki

X tr* ir* X X 13 13 X 13 GO to to GO to to GO GO X to X to X X to to to t to to to o to X X t to t ω 03 X 03 to 03 to CO X to ω X to to 03 to to to to to to to X to X 03 X 03 03 to 03 03 03 03 ω 03 03 03 03 to to 03 to to to to to to to to to to to o co rf_* rf_* rf_* rf_* Φ- to to Lo ω o o o o o o va en cn cn cn Lπ in in in LΠ in in Φ.

H< H H H o o o o o o o o σ o o o o o o o σ o vo vo o o o o o o o o o in in rf* oo rf* tπ in in LΠ en en cn m rf* oo oo to to vo o oo vo o cn co H in rf* in in in o rf* in vo vo o in cn rf* vo on tπ vo tπ H m cn rf* o cn m CΛ in en σ o o oo rf* o en vo rf* σ vo vo o cn rf* in in in in on cn cn cn en en en cn cn en cn en cn cn en en en cn σ. cn en cn en cn en Ln en to o o in rf* o o o o to rf* tπ rf* in en

H rf* o to to in O φ. to vo oo en rf* cn rf* in in in rf* rf* oo en to o in oo cn o oo o o to in in tπ vo o vo m

--a rf* H> o to o cn to in cn vo vo vo CO o o to co to to to to to to to to to to to to to to to to to to to to H> φ- ω φ. in cn -J cn m m φ. φ. oo o o σ o vo cn Φ. cn o rf* in o o o φ- oo m o in vo o o vo rf* σ> in rf* vo o rf* to cn in rf* cn in in o o oo -a in oo en vo en vo o o on vo o LΠ

H H o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o σ o o o o o o o o o o o o o o o o σ o o o o o o o o o σ o o o oo φ. oo oo oo rf_* rf* rf_* oo oo rf* oo in in o o in rf* rf* in vo rf* o in oo en co oo oo oo oo o oo oo o oo rf* σ. to o o φ- in oo rf* -a o in o co cn o to o on to to to t to o to en in cn vo tπ o

ro ro w ro ro ro ro ro o ro ro ro ro ro ro ro ro D3 W M ro M ro ro ro ro ro ro ro w ro ro ro ro M M w o o3 03 0 -u ω ω ω ω ω ω ω ω o3 ω ω ω ω ω ω ω ω D3 ω ω ω ω ω ω ω ra o3 ω od ω ω ω ω ω ω ω ω o3 ω ω ω to to ω ω ω ω ω ω ω to ω ω ω ω ω ω ω ω ω o3 ω ω ω ro ω ω ω ro ω w ω ω ω ω ω ω ω ro ω to tα c3 3 ω ω ω ω ω ω ω ω o3 ω ω ω ω ro ω ω ω o3 ϋ3 ω ω o3 ω ω ω ω ω ω ω ω ω ω ω ω

Ω Ω Ω Ω Ω a d Ω O Ω Ω Ω Ω a Ω Ω Ω Ω Ω Ω Ω a d Ω d Ω Ω a d Ω d Ω Ω a d Ω Ω d Ω Ω a d

ATOM 4724 O VAL B 240 108.,088 56,,107 24,,908 1.00 36..16 BBBB O

ATOM 4725 N TRP B 241 107. ,970 58. ,222 24. ,176 1. 00 32, ,97 BBBB N

ATOM 4726 CA TRP B 241 109. ,395 58. ,289 23. ,920 1. 00 33. ,01 BBBB C

ATOM 4727 CB TRP B 241 109, .794 59. ,668 23, ,413 1. ,00 32. .38 BBBB C

ATOM 4728 CG TRP B 241 111. .279 59, .872 23, ,392 1. ,00 24, ,18 BBBB C

ATOM 4729 CD2 TRP B 241 112, ,158 59, .635 22, .286 1. ,00 22, .27 BBBB C

ATOM 4730 CE2 TRP B 241 113. .472 59, .902 22. .729 1, ,00 23, .69 BBBB C

ATOM 4731 CE3 TRP B 241 111. .961 59, .223 20. .958 1. ,00 25, .78 BBBB C

ATOM 4732 CD1 TRP B 241 112. .072 60, .261 24. .434 1. ,00 25. .48 BBBB C

ATOM 4733 NEl TRP B 241 113. ,393 60, .281 24. .045 1. ,00 25, ,23 BBBB N

ATOM 4734 CZ2 TRP B 241 114. ,590 59. ,766 21, ,891 1. ,00 27. ,59 BBBB C

ATOM 4735 CZ3 TRP B 241 113. .070 59. .086 20, ,123 1. 00 22. .96 BBBB C

ATOM 4736 CH2 TRP B 241 114. ,369 59. .360 20. .593 1. ,00 27. .87 BBBB C

ATOM 4737 C TRP B 241 110. ,132 58. .024 25. ,214 1. ,00 37. .32 BBBB C

ATOM 4738 O TRP B 241 Ill, ,018 57. .174 25. ,269 1. ,00 40. ,49 BBBB O

ATOM 4739 N SER B 242 109, .769 58, .771 26. .253 1. .00 39. .01 BBBB N

ATOM 4740 CA SER B 242 110, .393 58, .636 27. .562 1. .00 38, .13 BBBB C

ATOM 4741 CB SER B 242 109, ,720 59, .582 28. .549 1. .00 36. .71 BBBB C

ATOM 4742 OG SER B 242 109, ,821 60, .914 28. .086 1. .00 39, .05 BBBB O

ATOM 4743 C SER B 242 110, .293 57, .202 28. .063 1. .00 36, .19 BBBB C

ATOM 4744 O SER B 242 111, .203 56, .689 28. .713 1. .00 37, .07 BBBB O

ATOM 4745 N ALA B 243 109, .178 56, .556 27, .758 1. .00 35, .15 BBBB N

ATOM 4746 CA ALA B 243 108, .975 55, .178 28, .168 1. .00 32, .78 BBBB C

ATOM 4747 CB ALA B 243 107. .568 54, .722 27. .780 1. .00 34, .10 BBBB C

ATOM 4748 C ALA B 243 110, .029 54, .297 27, ,496 1. .00 33, .91 BBBB C

ATOM 4749 O ALA B 243 110, .614 53, .423 28, .136 1. .00 35, .76 BBBB O

ATOM 4750 N GLY B 244 110, .267 54, ,537 26. .208 1. ,00 29, .32 BBBB N

ATOM 4751 CA GLY B 244 111, .255 53 .767 25, .472 1, .00 27 .71 BBBB C

ATOM 4752 C GLY B 244 112, .642 53, .975 26, ,053 1. .00 31, .85 BBBB C

ATOM 4753 O GLY B 244 113, .498 53. .088 25, .985 1. .00 35. .07 BBBB O

ATOM 4754 N CYS B 245 112 .873 55 .160 26, .610 1, .00 28 .44 BBBB N

ATOM 4755 CA CYS B 245 114, ,148 55, .464 27, ,228 1, .00 29, .74 BBBB C

ATOM 4756 CB CYS B 245 114 .254 56 .962 27, .533 1, .00 32, .32 BBBB C

ATOM 4757 SG CYS B 245 114, .581 57 .977 26, .095 1, .00 33 .75 BBBB S

ATOM 4758 C CYS B 245 114, .279 54 .651 28, .519 1, .00 32 .30 BBBB C

ATOM 4759 O CYS B 245 115 .362 54 .164 28 .831 1 .00 32 .92 BBBB O

ATOM 4760 N VAL B 246 113 .182 54 .504 29 .267 1 .00 29 .98 BBBB N

ATOM 4761 CA VAL B 246 113 .198 53 .722 30 .509 1, .00 33 .21 BBBB C

ATOM 4762 CB VAL B 246 111 .885 53 .881 31 .293 1 .00 32 .63 BBBB C

ATOM 4763 CGI VAL B 246 111 .872 52 .938 32 .467 1 .00 32 .55 BBBB C

ATOM 4764 CG2 VAL B 246 111 .738 55 .305 31 .775 1 .00 34 .46 BBBB C

ATOM 4765 C VAL B 246 113 .392 52 .234 30 .183 1 .00 34 .41 BBBB C

φ. φ. Φ- φ. > φ. Φ- φ- Φ> Φ- φ. Φ- Φ- Φ- rf* Φ. Φ- φ. rf_* Φ- φ. φ. rf_* Φ- rf* rf_* Φ- Φ- Φ- φ- Φ-

03 03 oo 03 03 co 00 CO vl vj vl ^•vl v] vl va vl •vl ^•vl vl v] v] v -j vl v] •vl -0 vl v] -a va o o o o o o o vo vo vo vo VD vo VD vo vo vo oo CO CO oo 00 oo co 03 co 00 vl v vl l CΛ in φ. 00 CO H o VD CD ^•vl CΛ tn φ. 0J CO H σ vo oo v] CΛ tπ rf_* oo to H o VD 03 vl

Ω a d Ω 03 9 Ω Ωα Ω Ω Ω Ω Ω Ω O Ω 03 fc a d d d Ω Ω Ω Ω Ω to 9 a O Ω to CO X Ω 03 fc a d Ω Ω to α D Ω to a d

H> α Ωα Ω

H to H 9 a d Ω Ω Ω Ω Ω Ω fc H> tr* X tr* X ir* tr* ir* tr* X _-* tr* tr* tr* Ir* X tr* Ir* X tr* Ω Ω Ω Ω * Ir* X ir* tr* t-^| Ir*

CO CO to GO CO CO CO to to GO to CO GO CO X C t t tr* tr* tr* tr* tr* CO GO CO CO GO GO to G G G G G G G G G G G G G G a O to G G G G G G G G 8 61

G G G 1 l tr* tr

I ϊ ϊ ϊ GO G G G G G G G G

03 to to to 03 03 03 to 03 to 03 03 to 03 X to to 03 03 03 03 03 03 03 03 03 03 03 03 X to X X ω to 03 03 to to 03 to a 03 to to to to O to CO O CO to CO CO CO CO to to CO CO CO CO O O CO CO O CO to O O CO CO CO to CO to O to O O O CO to in LΠ m ιπ LΠ in in in in in in m in LΠ in in LΠ tπ in φ- φ. φ. φ. φ. rf_* φ. φ. φ. φ. rf* Φ- Φ- Φ- rf_* φ. φ. rf* Φ. Φ» rf_* rf_* rf*

CO CO to H> H> H> H> H> H H H¹ o o o o o o o o VD VD vo VD VD vo vo vo VD 00 oo oo 03 03 v] -j v vj vl v -j l CΛ

H H> H H> H H H> H H H> H H H H> H H H H> H> H H H H> H> H> H H H H H H H> H H H H H H H H H CO CO H CO H> H H H H H H> H H H H> H H H H H H H H> H¹ H> H> H> H H< H H H> H H H H H H H H>

H H> vo O VD in in LΠ vl 00 v3 v] vl rf* to rf* rf* cn en 00 v] oo vl vl 00 v] v] CΛ 00 vl cn CΛ Φ- φ. Φ- CO CO H> H> to CO Φ- tπ 0J vo OJ tn cn cn vo φ. o OJ CΛ H cn H rf* in •-a CΛ H rf* VD co H en vl H o 00 O CΛ v H> H> H> tn vl σi CO tπ rf* o co v] H VD CO H H cn VO LO to O H> vl VD LΠ LO tπ VO co rf_* M CΛ CO en 00 oo m H CΛ in VD o H CO in CΛ in CO o cn to OJ φ. LO o CO rf* tn oo rf* CΛ o H φ. 00 in vl vl m φ. CΛ vo 03 cn H> 00 H¹ VO in 03 LΠ oo H> rf* φ. Φ- φ. φ. φ. Φ- Φ- φ. rf* rf* Φ- φ. rf* rf* rf* rf* rf* rf* in tn tn in LΠ in LΠ tn tπ in in in in φ. in Φ- Φ- φ. tπ LΠ in in

VD 03 00 Lπ CΛ φ. cn en cn cn va CΛ vl vo 00 vo CO 03 VD o o φ. tπ rf* J CO H¹ H^» o o H o H VD O vl 03 00 o o H H l φ. O 00 VD to tn in in in rf* o en o H LΠ 00 H¹ tn CΛ tn cn OJ vo CO to vo 00 o H< H cn en vl H 00 vl in rf* H> en w o φ. LΠ o 00 CO D CO v] v] H vj in vl rf* H o CΛ cn o to in o o vo o VD O tn vl φ. oo en φ. in

00 oo H tπ en in vl oo 03 o to H o 00 H¹ in -J LΠ o VD vo LO OJ m OJ H< o oo en H O v] CO VD H oo H en o O to CO CO to CO CO to CO LO LO OJ LO 00 oo LO LO to 0J OJ OJ oo O to to CO to CO to O to O to CO to oo 00 VD VD vo VD 03 CΛ vl v] VD o H> H rf* 00 00 CO H> H* H φ- to OJ CO o vo 00 en vl 00 00 va in cn vl CO VD o tn O 00 o CO CO H> cn 00 to o VD 00 in o H CO o 00 l CO φ. in H Φ- 0J rf* t t o H> m 03 J 03 m vo tn vl to 1 v] 03 LO in o cn o H in 00 CO vo o H in 00 en Φ- o to v] H v] LΠ o o en vo o LΠ ^■vl VD ^■vl 00 cn v] CO CO VD

H> H> H> H> CO φ. Φ- φ. en 00 o H o CO rf* o in φ. CΛ cn OJ H VD o O 00 vo 03 to vo oo in o 00 to CO

H¹ H H" H> H H H H> H H* H> H> H H H H¹ H H H> H H H H H H> H¹ H H H> H¹ H H H H¹ H H¹ H H> H> H H H o O O o o O o o o o O o O o o o o o o o o O O o o O o o o O o o o O O o o o o o o o o O o o σ o o O o o o o O o o o o σ o o o o o o o O o σ o o o o o O o o o o o o o o

00 LO 00 oo 00 to 0J CO OJ oo φ. 00 00 LO J oo 00 rf* rf_* Φ> rf* 00 OJ 00 φ. to 00 LO LO CO OJ LO 00 LJ 00 03 tn -o φ. φ. en o ^•vl to in CO ^■vl tπ o to vl 00 VD cn rf* in O CO VD o VD vo vl o LΠ 03 CO o H¹ to

03 Lπ cn H> in in tn H va in to 10 en vo rf* o o tn 03 vo O to vl in CO o o o vo in cn H> CO φ. 03 tπ 00 LΠ 00 rf* rf* cn tπ cn CO cn φ- H> VD vl 03 CO in to H> 03 00 v] 00 in 00 00 va 03 VD rf* t φ. to en H φ- v] H o Φ- to to o rf* vo

ω ω ro ω ω ω ω ro ω ω ω ω ω ω o3 ω o3 θ3 D3 3 θ3 ω ω ω ro ω ro ω ro ω ω ω ro ω ω ω ω ω ω ω ω ω rjo ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω rø ω ro ω ω os ω ω ω ω ω ω ω ω ω ω ω ω w ro o3 03 ro ro ffl W to o3 -o ro ro ro w w ro w M 03 03 ro w o3 ro o3 ffi to fe w -o ro ro -o ro o3 ro ro o^ to ω or ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω td ω o3 ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω

Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω d d Ω Ω Ω Ω a d Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d

ATOM 4808 CG LEU B 252 121,.021 49,.835 27,,138 1.,00 41,.77 BBBB C

ATOM 4809 CD1 LEU B 252 121, .022 51, .286 26, .695 1. .00 37, .37 BBBB C

ATOM 4810 CD2 LEU B 252 121, .908 48, .983 26. ,244 1, .00 38. .95 BBBB C

ATOM 4811 C LEU B 252 121. .983 48, .518 30, .648 1, .00 37, .74 BBBB C

ATOM 4812 O LEU B 252 123, .175 48. .286 30. .799 1, ,00 41, .49 BBBB O

ATOM 4813 N GLY B 253 121, .184 48. ,882 31. ,641 1. ,00 38. .65 BBBB N

ATOM 4814 CA GLY B 253 121. .708 49. .032 32, ,985 1, .00 44, .69 BBBB C

ATOM 4815 C GLY B 253 122, .205 50, .454 33. .165 1, .00 48, .71 BBBB C

ATOM 4816 O GLY B 253 123. .021 50. .736 34. ,048 1, ,00 50, .69 BBBB O

ATOM 4817 N GLN B 254 121. .701 51. .354 32. .321 1, .00 51. .65 BBBB N

ATOM 4818 CA GLN B 254 122, .090 52. .761 32. ,359 1. .00 52, .13 BBBB C

ATOM 4819 CB GLN B 254 123. .571 52, ,882 32. ,073 1. .00 55, ,65 BBBB C

ATOM 4820 CG GLN B 254 123, .919 52, .280 30, ,739 1, .00 61, .40 BBBB C

ATOM 4821 CD GLN B 254 125. .388 52, .366 30, .441 1, .00 65, .90 BBBB C

ATOM 4822 OEl GLN B 254 126, .221 51. .960 31. ,257 1. .00 68. .80 BBBB O

ATOM 4823 NE2 GLN B 254 125, .724 52, .890 29, .263 1. .00 64, ,35 BBBB N

ATOM 4824 C GLN B 254 121, .329 53, .524 31, ,284 1, .00 49, .82 BBBB C

ATOM 4825 O GLN B 254 120, .821 52, .927 30, .340 1, .00 48, .43 BBBB O

ATOM 4826 N PRO B 255 121. .265 54. .859 31. .406 1. .00 48, .76 BBBB N

ATOM 4827 CD PRO B 255 121, .817 55, .666 32, .506 1, .00 47, .00 BBBB C

ATOM 4828 CA PRO B 255 120, .566 55, .719 30, .450 1, .00 47, .57 BBBB C

ATOM 4829 CB PRO B 255 120, .870 57. ,121 30. .964 1. .00 46. .17 BBBB C

ATOM 4830 CG PRO B 255 120, .976 56, .914 32, .423 1, .00 46, .16 BBBB C

ATOM 4831 C PRO B 255 121, .062 55, .511 29, ,028 1, .00 47, .79 BBBB C

ATOM 4832 O PRO B 255 122, .266 55. .446 28, .782 1. .00 51, .60 BBBB O

ATOM 4833 N ILE B 256 120, .134 55. .413 28, .088 1. .00 44, .91 BBBB N

ATOM 4834 CA ILE B 256 120, .507 55. ,211 26, .703 1. .00 41, .85 BBBB C

ATOM 4835 CB ILE B 256 119, .307 54, .666 25, .894 1, .00 41, ,94 BBBB C

ATOM 4836 CG2 ILE B 256 118 .096 55 .566 26 .075 1, .00 39, .99 BBBB C

ATOM 4837 CGI ILE B 256 119, .689 54, .538 24, .422 1. .00 40. .59 BBBB C

ATOM 4838 CD1 ILE B 256 118, .711 53, .709 23, .622 1, .00 42. .26 BBBB C

ATOM 4839 C ILE B 256 121 .031 56 .509 26, .087 1, .00 42, .16 BBBB C

ATOM 4840 O ILE B 256 121. .998 56, .492 25. .331 1. .00 39. .22 BBBB O

ATOM 4841 N PHE B 257 120, .411 57, .637 26, .429 1. ,00 37, .31 BBBB N

ATOM 4842 CA PHE B 257 120 .832 58 .934 25, .897 1, .00 39, .13 BBBB C

ATOM 4843 CB PHE B 257 119, .704 59, .537 25. .084 1. .00 33. .94 BBBB C

ATOM 4844 CG PHE B 257 119, .200 58 .646 24, .011 1, .00 31, .89 BBBB C

ATOM 4845 CD1 PHE B 257 117 .855 58 .317 23, .948 1, .00 29, .86 BBBB C

ATOM 4846 CD2 PHE B 257 120, .058 58, .180 23. .022 1, .00 31. .55 BBBB C

ATOM 4847 CEl PHE B 257 117, .360 57, .548 22. .911 1. .00 32. .83 BBBB C

ATOM 4848 CE2 PHE B 257 119 .575 57 .403 21. .972 1, .00 33, .13 BBBB C

ATOM 4849 CZ PHE B 257 118 .219 57 .088 21 .914 1. .00 31 .98 BBBB C ATOM 4850 C PHE B 257 121,.214 59..908 27,.009 1..00 39,.09 BBBB C

ATOM 4851 0 PHE B 257 120. .401 60. .732 27. ,422 1. ,00 40. .90 BBBB O

ATOM 4852 N PRO B 258 122, .458 59, .840 27. .500 1. ,00 37, .21 BBBB N

ATOM 4853 CD PRO B 258 123, .457 58. .770 27. .303 1. ,00 35. .29 BBBB C

ATOM 4854 CA PRO B 258 122, .865 60, .750 28, .571 1, .00 40, .46 BBBB C

ATOM 4855 CB PRO B 258 123, ,764 59. .863 29. .416 1. .00 40. .04 BBBB C

ATOM 4856 CG PRO B 258 124, .517 59, .097 28, .349 1, .00 36, .50 BBBB C

ATOM 4857 C PRO B 258 123, .586 62, .023 28, .089 1. .00 43, .83 BBBB C

ATOM 4858 O PRO B 258 124, .808 62. .130 28. .221 1. .00 46. .08 BBBB O

ATOM 4859 N GLY B 259 122. ,833 62. .983 27. .543 1. .00 46. .33 BBBB N

ATOM 4860 CA GLY B 259 123, .423 64, .226 27, .057 1, .00 48, .76 BBBB C

ATOM 4861 C GLY B 259 123. .849 65. .140 28. .193 1. .00 51. ,26 BBBB C

ATOM 4862 O GLY B 259 123, .219 65, .145 29, .249 1, .00 53, .09 BBBB 0

ATOM 4863 N ASP B 260 124, .916 65, .910 27, .990 1, .00 54, .08 BBBB N

ATOM 4864 CA ASP B 260 125. .416 66, .821 29. .024 1. .00 58, .51 BBBB C

ATOM 4865 CB ASP B 260 126, .910 67. .109 28. .830 1. .00 60. .91 BBBB C

ATOM 4866 CG ASP B 260 127, .773 65. .860 28, .917 1. ,00 65. .00 BBBB C

ATOM 4867 ODl ASP B 260 127, .691 65, .141 29, .945 1, .00 66, .92 BBBB O

ATOM 4868 OD2 ASP B 260 128, .541 65, .609 27, .956 1, ,00 66, .07 BBBB O

ATOM 4869 C ASP B 260 124, .663 68, .136 28, .961 1, .00 59, .45 BBBB C

ATOM 4870 O ASP B 260 124. .379 68, .763 29. .986 1. .00 61. .48 BBBB O

ATOM 4871 N SER B 261 124. .368 68. .551 27, .736 1. .00 59. .70 BBBB N

ATOM 4872 CA SER B 261 123. .647 69. .785 27, .475 1. .00 57, .09 BBBB C

ATOM 4873 CB SER B 261 124, .543 70, .782 26, .726 1, ,00 56, .51 BBBB C

ATOM 4874 OG SER B 261 124, .809 70, .354 25, .396 1, .00 57, .54 BBBB O

ATOM 4875 C SER B 261 122, .463 69, .408 26, .604 1, .00 57, .64 BBBB C

ATOM 4876 O SER B 261 122, .320 68, .251 26, .204 1, ,00 56, .94 BBBB O

ATOM 4877 N GLY B 262 121. .615 70, .384 26. .312 1. .00 56. .95 BBBB N

ATOM 4878 CA GLY B 262 120. .461 70. .125 25. .475 1. .00 55. ,81 BBBB C

ATOM 4879 C GLY B 262 120, .863 69, .869 24, .036 1, .00 56, .02 BBBB C

ATOM 4880 O GLY B 262 120, .148 69, .185 23, .306 1, .00 57, .09 BBBB O

ATOM 4881 N VAL B 263 121, .998 70, .423 23, .617 1, .00 54, .33 BBBB N

ATOM 4882 CA VAL B 263 122, .462 70, .215 22, .253 1, .00 53, .33 BBBB C

ATOM 4883 CB VAL B 263 123. .530 71, .241 21, .842 1. .00 53, ,87 BBBB C

ATOM 4884 CGI VAL B 263 123. .984 70, .960 20. .405 1. ,00 52, .39 BBBB C

ATOM 4885 CG2 VAL B 263 122 .979 72 .659 21 .990 1 .00 55 .49 BBBB C

ATOM 4886 C VAL B 263 123, .082 68, .832 22. .175 1, .00 53, .64 BBBB C

ATOM 4887 O VAL B 263 122, .932 68, .122 21, .179 1, .00 54, .03 BBBB O

ATOM 4888 N ASP B 264 123, .775 68, .456 23, .242 1, .00 52, .56 BBBB N

ATOM 4889 CA ASP B 264 124, .424 67, .160 23, .309 1. .00 52, .04 BBBB C

ATOM 4890 CB ASP B 264 125, .348 67, .107 24. .510 1. ,00 54, .00 BBBB C

ATOM 4891 CG ASP B 264 126 .067 65 .790 24 .612 1, .00 60 .56 BBBB C ATOM 4892 ODl ASP B 264 126.,428 65,.397 25,.742 1.,00 62..29 BBBB 0

ATOM 4893 OD2 ASP B 264 126. .276 65. .148 23, .555 1. ,00 63. .75 BBBB O

ATOM 4894 C ASP B 264 123. ,422 66. .006 23, .400 1. 00 49. ,68 BBBB C

ATOM 4895 O ASP B 264 123, ,687 64. .893 22. .946 1. ,00 51. ,21 BBBB O

ATOM 4896 N GLN B 265 122. ,276 66. .267 24. .009 1. ,00 46. ,84 BBBB N

ATOM 4897 CA GLN B 265 121. ,249 65. .253 24. ,138 1. ,00 44. ,20 BBBB C

ATOM 4898 CB GLN B 265 120. .061 65, .828 24, .892 1. ,00 41. .45 BBBB C

ATOM 4899 CG GLN B 265 119. .004 64, .819 25. .207 1. ,00 43. .47 BBBB C

ATOM 4900 CD GLN B 265 119. ,570 63. ,669 25. .970 1. ,00 40. ,66 BBBB C

ATOM 4901 OEl GLN B 265 120. ,335 63, .860 26. .910 1. ,00 42. .56 BBBB 0

ATOM 4902 NΞ2 GLN B 265 119. ,200 62. .461 25. .580 1. ,00 41. .80 BBBB N

ATOM 4903 C GLN B 265 120, .821 64, .816 22, .740 1. ,00 42, .87 BBBB C

ATOM 4904 O GLN B 265 120, .515 63, ,654 22. .504 1. .00 43. .03 BBBB O

ATOM 4905 N LEU B 266 120, .799 65. .759 21. .809 1. .00 42. .32 BBBB N

ATOM 4906 CA LEU B 266 120, .423 65, .437 20. .446 1, ,00 43. ,05 BBBB C

ATOM 4907 CB LEU B 266 120, .251 66, .709 19. .628 1. ,00 42. ,41 BBBB C

ATOM 4908 CG LEU B 266 119. .934 66, .450 18, .152 1, ,00 43, .06 BBBB C

ATOM 4909 CD1 LEU B 266 118. .940 65, .301 18, .004 1, ,00 42. ,10 BBBB c

ATOM 4910 CD2 LEU B 266 119. .370 67, .725 17, .546 1. ,00 46. .02 BBBB c

ATOM 4911 C LEU B 266 121, .506 64, .576 19, .819 1, ,00 44. ,82 BBBB c

ATOM 4912 O LEU B 266 121, .227 63. ,671 19, .027 1, ,00 44. ,76 BBBB 0

ATOM 4913 N VAL B 267 122, ,748 64, .880 20, .178 1. ,00 43, .83 BBBB N

ATOM 4914 CA VAL B 267 123, .906 64, .144 19, .687 1. ,00 46, .55 BBBB C

ATOM 4915 CB VAL B 267 125, .217 64, .738 20, .268 1. ,00 46. .59 BBBB C

ATOM 4916 CGI VAL B 267 126, .399 63, .844 19, .921 1. ,00 46. .11 BBBB C

ATOM 4917 CG2 VAL B 267 125, .431 66, .148 19, .719 1. ,00 45. .32 BBBB C

ATOM 4918 C VAL B 267 123, .778 62, ,674 20, .091 1. .00 45. .62 BBBB c

ATOM 4919 O VAL B 267 123, .911 61, .777 19, .249 1. .00 46, .94 BBBB 0

ATOM 4920 N GLU B 268 123, .522 62, .445 21, .380 1. .00 44, .18 BBBB N

ATOM 4921 CA GLU B 268 123 .337 61 .100 21 .925 1, .00 42, .69 BBBB C

ATOM 4922 CB GLU B 268 122, .879 61, .178 23, .379 1. .00 44. .74 BBBB c

ATOM 4923 CG GLU B 268 123. .958 61, .610 24, .313 1. .00 47. .20 BBBB c

ATOM 4924 CD GLU B 268 125, .070 60 .597 24 .363 1. .00 53, .05 BBBB c

ATOM 4925 OEl GLU B 268 124, .817 59. .464 24, .827 1. ,00 58, .04 BBBB 0

ATOM 4926 OE2 GLU B 268 126 .192 60 .926 23 .930 1, .00 56 .97 BBBB 0

ATOM 4927 C GLU B 268 122 .281 60 .365 21 .117 1, .00 41 .34 BBBB c

ATOM 4928 O GLU B 268 122, .437 59, .190 20, .797 1, .00 43, .71 BBBB 0

ATOM 4929 N ILE B 269 121 .202 61 .067 20 .797 1, .00 39 .04 BBBB N

ATOM 4930 CA ILE B 269 120 .126 60 .481 20 .023 1, .00 41 .84 BBBB C

ATOM 4931 CB ILE B 269 118 .925 61 .444 19 .935 1 .00 41 .50 BBBB C

ATOM 4932 CG2 ILE B 269 117 .869 60 .900 18 .982 1 .00 40 .99 BBBB c

ATOM 4933 CGI ILE B 269 118 .330 61 .631 21 .327 1 .00 35 .68 BBBB c ATOM 4934 GDI ILE B 269 117.069 62.439 21.337 1.,00 38..75 BBBB C

ATOM 4935 C ILE B 269 120.597 60.116 18.620 1. .00 45. .48 BBBB C

ATOM 4936 O ILE B 269 120.360 59.002 18.153 1, ,00 48, .55 BBBB O

ATOM 4937 N ILE B 270 121.275 61.044 17.955 1. .00 46, ,86 BBBB N

ATOM 4938 CA ILE B 270 121.751 60.794 16.601 1. .00 48. .11 BBBB C

ATOM 4939 CB ILE B 270 122.309 62.084 15.975 1, .00 49. .87 BBBB C

ATOM 4940 CG2 ILE B 270 123.067 61.763 14.674 1, .00 46. .26 BBBB C

ATOM 4941 CGI ILE B 270 121.145 63.061 15.746 1, .00 51, .87 BBBB C

ATOM 4942 CD1 ILE B 270 121.537 64.391 15.134 1, .00 48, .20 BBBB C

ATOM 4943 C ILE B 270 122.791 59.683 16.519 1, .00 47, .09 BBBB C

ATOM 4944 O ILE B 270 122.962 59.051 15.472 1, .00 44, .88 BBBB O

ATOM 4945 N LYS B 271 123.484 59.440 17.621 1. ,00 45. .57 BBBB N

ATOM 4946 CA LYS B 271 124.475 58.378 17.641 1, ,00 47. ,39 BBBB C

ATOM 4947 CB LYS B 271 125.272 58.418 18.950 1, ,00 48. ,45 BBBB C

ATOM 4948 CG LYS B 271 126.562 59.236 18.836 1, .00 53. .04 BBBB C

ATOM 4949 CD LYS B 271 127.125 59.673 20.190 1, ,00 54. .11 BBBB C

ATOM 4950 CE LYS B 271 127.565 58.504 21.066 1. ,00 58. .47 BBBB C

ATOM 4951 NZ LYS B 271 128.127 58.976 22.373 1. ,00 58. .81 BBBB N

ATOM 4952 C LYS B 271 123.790 57.025 17.471 1. ,00 47. ,37 BBBB C

ATOM 4953 O LYS B 271 124.392 56.073 16.983 1. .00 49. .42 BBBB O

ATOM 4954 N VAL B 272 122.522 56.951 17.860 1. .00 45. .53 BBBB N

ATOM 4955 CA VAL B 272 121.767 55.717 17.743 1. .00 41. .81 BBBB C

ATOM 4956 CB VAL B 272 120.898 55.470 18.975 1. .00 40. .02 BBBB C

ATOM 4957 CGI VAL B 272 120.003 54.274 18.736 1. .00 33. .06 BBBB C

ATOM 4958 CG2 VAL B 272 121.772 55.245 20.184 1. .00 31. .32 BBBB C

ATOM 4959 C VAL B 272 120.856 55.720 16.533 1, .00 42. .29 BBBB C

ATOM 4960 O VAL B 272 120.936 54.827 15.698 1, .00 43, .37 BBBB O

ATOM 4961 N LEU B 273 119.987 56.723 16.442 1. .00 42. .74 BBBB N

ATOM 4962 CA LEU B 273 119.029 56.823 15.334 1. .00 44. .08 BBBB C

ATOM 4963 CB LEU B 273 117.752 57.537 15.814 1. .00 45. .27 BBBB C

ATOM 4964 CG LEU B 273 117.047 57.032 17.088 1. .00 48. ,82 BBBB C

ATOM 4965 CD1 LEU B 273 115.916 57.978 17.442 1. .00 48. .41 BBBB C

ATOM 4966 CD2 LEU B 273 116.498 55.618 16.893 1, .00 47, ,36 BBBB C

ATOM 4967 C LEU B 273 119. 573 57.543 14.095 1, .00 46, .15 BBBB C

ATOM 4968 O LEU B 273 118.918 57.574 13.047 1, .00 44, .27 BBBB O

ATOM 4969 N GLY B 274 120.773 58.107 14.213 1, .00 47, .60 BBBB N

ATOM 4970 CA GLY B 274 121.346 58.848 13.106 1, .00 47, .91 BBBB C

ATOM 4971 C GLY B 274 120, 564 60.141 12.951 1 .00 49 .70 BBBB C

ATOM 4972 O GLY B 274 119, 851 60.547 13.861 1 .00 49 .38 BBBB O

ATOM 4973 N THR B 275 120, 677 60.792 11.803 1 .00 50 .04 BBBB N

ATOM 4974 CA THR B 275 119, 959 62.042 11.583 1 .00 52 .53 BBBB C

ATOM 4975 CB THR B 275 120.668 62.933 10.522 1. .00 54. .81 BBBB C δ δ fc fc fc fc d δ d δ f d δ Ω δ Ω δ δ fc fc δ fc fc

H -3 Hi δ HI t-3 H t-3 ι-3 d δ f

H H d δ c d δ Ω δ d d δ δ c t δ d δ d d 3 3 3 3 3 3 £ £ 3 3 3 3 3 2 £ d Ω δ Ω d δ δ d d δ δ d

2 £ 2 2 2 £ d d d δ d δ

2 2 2 2 2 £ d δ d d δ d d δ δ o d δ δ δ d

2 2 2 2 2 2 2 2 2 2 £ 2 2 2 2 in tπ in tn in tn in in in in in in in in tπ tπ in LΠ rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* o o o o o o o o o o o o o o o o o o vo vo vo vo vo vo vo vo vo vo vo vo vo o vo vo

H> H> H H< H H o o o o o o o o o o vo vo vo vo va CΛ tπ rf* to H o σi in rf* H o tn rf* H o in rf* o vo cn

Ω Ω Ω a d Ω d d Ω Ω Ω Ω d Ω a Ω a Ω Ω Ω d Ω Ω d Ω fc GO to α 61 03 a fc as tsi to α 61 03 Q a 61 to fc Ω Ω 0 a d Ω Ω 3 Ω 03 fc ϋ 61 Ω

H 9 Ω Ω Ω a d Ω Ω d

H

Ω Ω 61 Ω 61 61 Ω Ω 61 Ω 61 Ω Ω ι-3 H t-3 t-3 H 13 13 13 13 13 ι-3 HI t-3 t-3 tr* X tr* tr* tr* -ⁱ tr* tr* Ir* Ir* ffi ffi ffi ffi ffi to X to X X X to ffi ffi ffi ffi a a a a G G G G G G 61 i 6s1

X X X X to d O d O o d d to to to to to ro to to 03 03 03 to to to to to 03 ω 03 03 to 03 to 03 03 03 to 03 to 03 X X X X to 03 X ω ω 03 to to to to 03 ω to to to

~a en cn cn en cn m in tn in

H H H H H H> H» H H H H H H o o o o o o H H H H> H> H H o vo cn oo tn on rf* rf* to rf* to rf* rf* va cn in cn v -a cn cn vo en φ. to rf* vo tn LΠ H> H rf* tn to cn H in en o vo o in vo o cn rf* cn vo rf* cn co rf* en iπ cn en to o vo cn o in H rf* rf* o o o o φ- in rf* VD in cn cn cn cn cn cn cn cn σi cn en en en cn en cn en en cn cn cn en σi cn σι en o to oo oo rf* rf* φ. cn tπ o vo cn cn rf* rf* rf* o H rf* rf* vo to rf* to vo H o tn in cn o to o to m H va cn o to in in in rf* Co Φ- cn o to cn CO cn o rf* in rf* in o o o o in cn rf* vo to cn o cn o in tπ cn cn en va φ. oo rf* rf* en cn v co vo o vo oo t en vo o rf* LΠ o m o oo oo oo oo cn oo cn o oo oo to rf* co cn in tn vo o vo vo vo vo rf* o o m to H fr* vo H> LO vo rf* vo rf* cn o rf* rf*

H H H H H o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o in in in m en cn cn cn co cn in tn rf* φ- in in in tπ tn in LΠ m tπ in m in o rf* o en rf* o

cn H rf* to O 00 OJ rf* CΛ o tπ rf* rf* o rf* rf* cn in to rf* rf* rf* o vo oo vo vo -a rf* o oo oo in in rf* rf* oo vo rf* in rf* vo rf* in vo in rf* rf* in oo cn to -a co

w ro ro ro w ro w ro ro ro ro ro ro ro w ro ro ro ro ro w ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro w M ro ro ro 03 03 ro ro 03 W W M 03 W 03 ffl 03 W 03 ro o ω o ro 0 0 0 W M w ro w ro ro ro ro ro ro 0 w ro ro ro ro ro ro ro o3 D3 D3 03 ro ϋ3 03 θ3 ό3 ό3 W 03 D3 ro to 03 ϋ3 ro o3 ro ro b3 ro o3 ro ro o3 0 ro o to o3 0 03 b3 ro ro ω o3 ω o3 ro w ro to ro -o ro ro -o o3 -d -o -o to ϋ3 θ3 θ3 ro o3 ro ro M 03 03 ro M ro o ro o ro ro td 03 03

Ω Ω Ω a d Ω d d Ω Ω Ω d Ω a Ω Ω Ω Ω Ω a d Ω Ω d Ω Ω d Ω Ω Ω Ω Ω a d Ω Ω d

ATOM 5018 CD GLN B 280 112.,666 59,.924 10..807 1,.00 51,.17 BBBB C

ATOM 5019 OEl GLN B 280 113. ,839 60, .083 10. .500 1, ,00 46. .15 BBBB O

ATOM 5020 NE2 GLN B 280 112. ,246 58, .877 11. .518 1. ,00 51. .82 BBBB N

ATOM 5021 C GLN B 280 110. .847 64, .695 11, .010 1, .00 54, .36 BBBB C

ATOM 5022 O GLN B 280 110. ,100 64, .964 11. .957 1. ,00 51, .41 BBBB O

ATOM 5023 N ILE B 281 111. ,722 65. .568 10. .508 1. ,00 52. ,04 BBBB N

ATOM 5024 CA ILE B 281 111. .863 66 , .919 11. .063 1. .00 50. .70 BBBB C

ATOM 5025 CB ILE B 281 112. .914 67, .720 10. .296 1. ,00 48. ,44 BBBB C

ATOM 5026 CG2 ILE B 281 112. .855 69, .174 10, .713 1, .00 49, .35 BBBB C

ATOM 5027 CGI ILE B 281 114. .297 67, .122 10. .547 1. .00 49, .99 BBBB C

ATOM 5028 CD1 ILE B 281 115. .397 67, .708 9. .680 1, .00 48, .49 BBBB C

ATOM 5029 C ILE B 281 110. .529 67. .656 10. .964 1. .00 49. .94 BBBB C

ATOM 5030 O ILE B 281 110. .086 68, .326 11. .896 1. .00 49, .33 BBBB 0

ATOM 5031 N ARG B 282 109. .899 67, .513 9. .810 1. .00 52. .50 BBBB N

ATOM 5032 CA ARG B 282 108, ,614 68. .123 9. ,518 1. ,00 55. ,30 BBBB C

ATOM 5033 CB ARG B 282 108, ,233 67. .745 8. ,086 1, ,00 56. .36 BBBB C

ATOM 5034 CG ARG B 282 106, .992 68. .370 7. .500 1. .00 61. .18 BBBB C

ATOM 5035 CD ARG B 282 106, .770 67. .745 6. .125 1. .00 62. .87 BBBB C

ATOM 5036 NE ARG B 282 108, .002 67. .787 5. ,327 1. ,00 64. .90 BBBB N

ATOM 5037 CZ ARG B 282 108, ,257 67. .017 4, ,268 1. ,00 64. .64 BBBB C

ATOM 5038 NHl ARG B 282 107, .361 66, .122 3, .857 1. .00 64. .29 BBBB N

ATOM 5039 NH2 ARG B 282 109. .418 67, .131 3. .623 1, .00 60. .47 BBBB N

ATOM 5040 C ARG B 282 107. ,588 67, .583 10. .511 1. .00 54. .78 BBBB C

ATOM 5041 O ARG B 282 106. ,649 68. .278 10. .895 1. .00 57. .80 BBBB O

ATOM 5042 N GLU B 283 107. ,792 66. .338 10. .933 1. .00 55. .55 BBBB N

ATOM 5043 CA GLU B 283 106. ,893 65. .660 11. .865 1. .00 54. .35 BBBB C

ATOM 5044 CB GLU B 283 107, ,119 64. .156 11. .778 1. ,00 59. .15 BBBB C

ATOM 5045 CG GLU B 283 106, ,544 63. .532 10. ,549 1. ,00 65. .60 BBBB C

ATOM 5046 CD GLU B 283 105, .061 63, .783 10, .455 1, .00 70, .20 BBBB C

ATOM 5047 OEl GLU B 283 104, .343 63, .508 11, .444 1, .00 72, .52 BBBB O

ATOM 5048 OE2 GLU B 283 104, .613 64, .256 9, .392 1, .00 75, .92 BBBB O

ATOM 5049 C GLU B 283 107, .031 66, .093 13, .318 1, .00 52, .74 BBBB C

ATOM 5050 O GLU B 283 106, .039 66, .196 14, .042 1, .00 47, .16 BBBB O

ATOM 5051 N MET B 284 108. .270 66, .326 13, ,739 1, .00 50, .40 BBBB N

ATOM 5052 CA MET B 284 108. .551 66, .739 15. .102 1, .00 51, .18 BBBB C

ATOM 5053 CB MET B 284 110, .007 66, .454 15. .440 1, .00 49, .57 BBBB C

ATOM 5054 CG MET B 284 110 .391 65 .010 15, .262 1, .00 48, .51 BBBB C

ATOM 5055 SD MET B 284 112 .081 64 .750 15, .769 1, .00 47, .32 BBBB S

ATOM 5056 CE MET B 284 112 .971 65 .158 14, .272 1, .00 47, .41 BBBB C

ATOM 5057 C MET B 284 108 .262 68 .216 15, .306 1, .00 49, .73 BBBB C

ATOM 5058 O MET B 284 107 .906 68 .632 16 .402 1 .00 49 .05 BBBB O

ATOM 5059 N ASN B 285 108, .420 69 .008 14, .250 1, .00 50, .03 BBBB N ATOM 5060 CA ASN B 285 108.,157 70.,442 14.329 1.00 52.,00 BBBB C

ATOM 5061 CB ASN B 285 109. ,229 71. ,123 15. 186 1. 00 51, .75 BBBB C

ATOM 5062 CG ASN B 285 108. .933 72. ,590 15. ,427 1. ,00 51. .92 BBBB C

ATOM 5063 ODl ASN B 285 107, .785 73. ,033 15. ,327 1. ,00 51. .08 BBBB O

ATOM 5064 ND2 ASN B 285 109. ,966 73. ,349 15. ,764 1. ,00 48. .50 BBBB N

ATOM 5065 C ASN B 285 108. 092 71. ,089 12. 945 1. 00 52. ,06 BBBB C

ATOM 5066 O ASN B 285 109. .114 71. ,464 12. ,372 1. ,00 49, .14 BBBB O

ATOM 5067 N PRO B 286 106, ,877 71. ,228 12. ,392 1. ,00 54. ,30 BBBB N

ATOM 5068 CD PRO B 286 105. ,594 70. .792 12. ,966 1. ,00 54. .29 BBBB C

ATOM 5069 CA PRO B 286 106. ,667 71. ,828 11. ,073 1. ,00 56. .37 BBBB C

ATOM 5070 CB PRO B 286 105. ,150 71, ,895 10. .964 1. ,00 54. .44 BBBB C

ATOM 5071 CG PRO B 286 104. .717 70. .698 11, .737 1. .00 56, .47 BBBB C

ATOM 5072 C PRO B 286 107. .304 73. .201 10. .943 1. .00 58, .90 BBBB C

ATOM 5073 O PRO B 286 107. .799 73. .563 9. .880 1, ,00 60, .56 BBBB O

ATOM 5074 N ASN B 287 107. .300 73. .964 12. ,029 1. ,00 60, . 61 BBBB N

ATOM 5075 CA ASN B 287 107. .872 75. .301 11. .996 1. .00 60, . 99 BBBB C

ATOM 5076 CB ASN B 287 107. .368 76. .121 13. .186 1. .00 62, ,50 BBBB C

ATOM 5077 CG ASN B 287 105. .850 76, .132 13, .281 1, .00 68, .33 BBBB C

ATOM 5078 ODl ASN B 287 105. .158 76, .529 12, .341 1. .00 71, .01 BBBB O

ATOM 5079 ND2 ASN B 287 105. .325 75, .690 14, ,420 1, .00 69, .60 BBBB N

ATOM 5080 C ASN B 287 109. .393 75, .298 11, .979 1. .00 59 .23 BBBB C

ATOM 5081 O ASN B 287 110. .008 76, .359 11, .966 1, ,00 60, .97 BBBB O

ATOM 5082 N TYR B 288 110. .010 74, .121 11. .980 1, .00 55, .35 BBBB N

ATOM 5083 CA TYR B 288 Ill, .470 74, .078 11. .951 1. .00 55, .71 BBBB C

ATOM 5084 CB TYR B 288 112, .024 73, .013 12, .901 1, .00 50. .66 BBBB C

ATOM 5085 CG TYR B 288 113, .539 72, .998 12, .939 1, .00 48, .17 BBBB C

ATOM 5086 CD1 TYR B 288 114, .274 72, .143 12, .114 1. .00 44, .23 BBBB C

ATOM 5087 CEl TYR B 288 115. .674 72 .143 12 .131 1, .00 4 .23 BBBB C

ATOM 5088 CD2 TYR B 288 114, ,241 73, .858 13, .781 1. .00 47, .55 BBBB c

ATOM 5089 CE2 TYR B 288 115, .633 73, .867 13, .804 1. .00 45, .49 BBBB c

ATOM 5090 CZ TYR B 288 116. .344 73, .008 12, .980 1. .00 45, .75 BBBB c

ATOM 5091 OH TYR B 288 117 .723 73 .016 13 .022 1, .00 46, .95 BBBB 0

ATOM 5092 C TYR B 288 112. .013 73 .840 10 .549 1, .00 58, .54 BBBB c

ATOM 5093 0 TYR B 288 Ill .500 73 .001 9 .803 1, .00 60, .94 BBBB 0

ATOM 5094 N THR B 289 113. .071 74 .573 10 .211 1, .00 60, .26 BBBB N

ATOM 5095 CA THR B 289 113 .686 74 .486 8 .892 1 .00 62 .41 BBBB C

ATOM 5096 CB THR B 289 113 .228 75 .669 8 .009 1 .00 64 .74 BBBB C

ATOM 5097 OG1 THR B 289 111 .806 75 .622 7 .839 1, .00 64, .70 BBBB O

ATOM 5098 CG2 THR B 289 113, .922 75 .629 6 .651 1, ,00 62, ,98 BBBB c

ATOM 5099 C THR B 289 115 .212 74 .503 8 .923 1, .00 63 .75 BBBB c

ATOM 5100 O THR B 289 115 .823 75 .367 9 .552 1, .00 66, .07 BBBB 0

ATOM 5101 N GLU B 290 115 .825 73 .549 8 .235 1 .00 64 .54 BBBB N ATOM 5102 CA GLU B 290 117.,277 73,.495 8.,158 1.,00 67.,83 BBBB C

ATOM 5103 CB GLU B 290 117. ,844 72, .513 9. ,185 1. ,00 66, ,41 BBBB C

ATOM 5104 CG GLU B 290 119. ,362 72. ,543 9. ,281 1. ,00 64, .65 BBBB C

ATOM 5105 CD GLU B 290 119. ,889 71. ,853 10, ,530 1. ,00 66, .24 BBBB C

ATOM 5106 OEl GLU B 290 121, ,123 71, .739 10. .663 1. ,00 66, .88 BBBB O

ATOM 5107 OE2 GLU B 290 119. ,076 71, .429 11. .383 1. ,00 65. .24 BBBB O

ATOM 5108 C GLU B 290 117, .619 73, .067 6. .735 1, .00 71. .04 BBBB C

ATOM 5109 O GLU B 290 117. ,797 71, ,883 6. ,441 1. ,00 71. .79 BBBB O

ATOM 5110 N PHE B 291 117, ,690 74, .063 5. .858 1, .00 73. .56 BBBB N

ATOM 5111 CA PHE B 291 117. ,964 73, ,878 4, .437 1. .00 74. .76 BBBB C

ATOM 5112 CB PHE B 291 118, ,419 75, .216 3. .827 1. ,00 76, .02 BBBB C

ATOM 5113 CG PHE B 291 117. ,450 76. .351 4. ,077 1. ,00 76. .77 BBBB C

ATOM 5114 GDI PHE B 291 117. .706 77, .303 5. .061 1. ,00 77, .60 BBBB C

ATOM 5115 CD2 PHE B 291 116, ,248 76. .430 3. .371 1. ,00 77, .66 BBBB C

ATOM 5116 CEl PHE B 291 116. .776 78, .315 5. ,342 1. .00 78. ,99 BBBB C

ATOM 5117 CE2 PHE B 291 115. ,312 77. .438 3. .645 1. .00 75. .84 BBBB C

ATOM 5118 CZ PHE B 291 115. .576 78. .379 4. .631 1. ,00 76. .74 BBBB C

ATOM 5119 C PHE B 291 118. ,928 72, .749 4. .068 1. ,00 73. .38 BBBB C

ATOM 5120 O PHE B 291 118. ,779 72. .139 3. .012 1. .00 74, .31 BBBB 0

ATOM 5121 N LYS B 292 119. .910 72. .462 4. .916 1. .00 73, ,05 BBBB N

ATOM 5122 CA LYS B 292 120. ,834 71. .373 4. .618 1. .00 73. .12 BBBB C

ATOM 5123 CB LYS B 292 121. .728 71, .725 3. .427 1. .00 75, ,71 BBBB C

ATOM 5124 CG LYS B 292 122. .748 72, ,825 3, .671 1, .00 76, .87 BBBB C

ATOM 5125 CD LYS B 292 123. .631 72, .965 2, .436 1. .00 81, .39 BBBB C

ATOM 5126 CE LYS B 292 124. .716 74, .022 2, .590 1. .00 82, .84 BBBB c

ATOM 5127 NZ LYS B 292 125, .537 7 .134 1 .341 1, .00 82 .13 BBBB N

ATOM 5128 C LYS B 292 121. .702 70, ,997 5, .805 1. .00 72, .84 BBBB c

ATOM 5129 O LYS B 292 122. .003 71, .839 6, .650 1, .00 74, .37 BBBB 0

ATOM 5130 N PHE B 293 122. .096 69, .725 5, .855 1. .00 69, .75 BBBB N

ATOM 5131 CA PHE B 293 122, .935 69 .203 6 .930 1, .00 65 .71 BBBB C

ATOM 5132 CB PHE B 293 122, .108 69 .027 8 .203 1, .00 62 .94 BBBB C

ATOM 5133 CG PHE B 293 120, .901 68, .153 8 .026 1, .00 60 .37 BBBB C

ATOM 5134 GDI PHE B 293 121, .006 66 .765 8 .111 1, .00 58 .91 BBBB C

ATOM 5135 CD2 PHE B 293 119 .651 68 .720 7 .768 1 .00 56 .21 BBBB C

ATOM 5136 CEl PHE B 293 119 .879 65 .950 7 .942 1 .00 57 .38 BBBB C

ATOM 5137 CE2 PHE B 293 118 .516 67 .920 7 .597 1 .00 55 .36 BBBB C

ATOM 5138 CZ PHE B 293 118 .630 66 .531 7 .684 1 .00 54 .60 BBBB C

ATOM 5139 C PHE B 293 123 .563 67 .873 6 .541 1 .00 64 .47 BBBB c

ATOM 5140 O PHE B 293 122 .996 67 .116 5 .757 1 .00 64 .58 BBBB 0

ATOM 5141 N PRO B 294 124 .748 67 .573 7 .092 1 .00 65 .09 BBBB N

ATOM 5142 CD PRO B 294 125 .450 68 .366 8 .118 1 .00 66 .88 BBBB C

ATOM 5143 CA PRO B 294 125. .475 66 .331 6 .815 1 .00 65 .89 BBBB C

tπ in in tπ in in m in in tπ in m in Lπ tπ LΠ tπ tπ m LΠ in tn tπ tπ m in LΠ in LΠ in in in tπ LΠ LΠ LΠ LΠ LΠ tπ tπ tπ in

H> H H H H H H> H H H H> H H H H H H H> H H H> H H H> H> H> H H> H> H> H> H> H> H> H> H H¹ (-> H H> H H

CO co co oo 03 oo -j v] vl vl ] va vj v] va vl cn cn cn cn σ. CΛ CΛ CΛ cn CΛ in LΠ in in in in in m in LΠ rf* rf* rf* rf* rf* rf*

LΠ fr* LO to H< o VD 00 v] en in rf* 00 to H> σ VD 03 -0 CΛ in rf* LO CO H o o 00 -o CΛ in rf* LO CO H o VD 00 v] CΛ in Φ-

Ω a Ω Ω Ω Ω a d Ω Ω p a d Ω a Ω Ω Ω Ω p a O Ω Ω Ω Ω Ω Ω a d Ω a O Ω Ω Ω p a d Ω Ω α Ω

CO α Ω 03 fc 03 fc N to X Ω to fc X Ω Ω 03 fc CO to α Ω 03 fc Ω 03

H> H> CO H H> CO CO H ffi ffi ffi ffi ffi ffi tu fc fc fc fc fc tr* ir* tr* ir* tr* tr* X X X H H H H H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω 13 13 13 13

H H H H H H H hH Hi Ki Ki j Ki Ki Ki Ki ro cn cn fc fc fc fc !3 Ki t-i tr* tr* tr* tr* tr* IT* tr* Ir* tr* tr* t* Ir* tr* t-ι f ir* to X to to cn CD CQ CQ ro cn ro ω ω CQ CQ cn ro GO to CO GO to to GO GO a a a a a a a a a d O d d

03 03 03 03 to 03 to 03 03 03 03 to 03 ro ω 03 03 to 03 03 to to to 03 03 to 03 to to to to to to ω 03 to 03 to 03 X to 03

CO CO CO O O O O CO CO to CO CO CO CO CO CO CO CO CO CO O CO CO CO CO CO CO CO O CO CO CO CO CO to CO to to CO CO CO CO vo VD vo VO vo vo VD VD vo VD VD VD vo vo VD VD O o o VD VD vo vo vo vo vo VD VD VD vo vo vo vo VD o VD VD VD VD vo vo VD o VD vo VO vo VD VD 03 CO 03 CO 03 vl v] vl -J vl vj -J -a 1 CΛ CΛ en CΛ en cn cn CΛ in LΠ in LΠ in in in LΠ tπ rf* rf* rf* φ.

H H H> H H H H H H H¹ H* H> H> H> H H H> H H" H H H H> H H> H H H H H> H H¹ H H> H H H H H> H to CO CO CO CO CO CO CO CO to H CO CO CO CO H O to to to to CO CO CO CO CO CO to CO O CO CO CO CO CO CO CO CO CO CO CO CO CO cn CΛ Φ- φ. LO 00 CO to CO VD H> H LO to oo σ H> CO 00 oo LJ to LO vl LΠ LΠ φ- φ- 00 in φ.

LD o o H H> O rf* rf* Φ> en en rf_* CO H -J 03 va to φ. en to 00 to cn vl 00 VO t to cn LΠ O VD to Φ- o CΛ H> en in VD σi CΛ 03 ^•vl O ^■vl vo CO LΠ 0J vj Φ. CO CO vl CO in vo in φ- to H in o φ. φ. φ. 00 cn H o vo OJ φ. cn vl 00 tn vo 03 H VD vo O CΛ CO CΛ rf* tn to rf* 00 φ. 03 oo o vl VD CΛ LΠ va 00 H> H H> Lπ v] 00 CΛ vl Φ- H VD CO 03 Φ- in in vo to 00 CO in 00 in H VO φ. VD VD H> cn VD CO ^•vl H¹ vl

LΠ in in in in in LΠ on LΠ W LΠ in tπ in Lπ LΠ in tπ in on tn tπ in cn CΛ in cn CΛ cn n CΛ cn CΛ CΛ cn cn cn cn cn σ. CΛ CΛ

H" CO o H CO CO OJ to 00 φ. in in CΛ en in Φ- LΠ φ. LΠ cn vl vo vo H H vo o o H H H LO H CO 00 CO CO rf* in LΠ v] CΛ o o 03 vo oo in en H CO tπ o <Λ H H in VD CO en -a vl 00 00 H in 03 Φ- cn CO oo Φ- CO oo CΛ 00 CO 00 vo o CO H¹ LO in i in OJ to CΛ to CO CO to in o CO in oo o 00 o CΛ Φ- m 03 CΛ H LO LΠ Φ- co CO LJ CO o cn 00 CO cn rf* VD O cn CO CO

00 oo 00 VD CO H H> O φ. o 00 o O oo CO CO VD o Φ- vo tπ o in 00 in H- O φ> vo vo cn CO CΛ to rf* rf* rf* CO to CO φ. in

H> H H H H> H> H H H H> H H^» H H H> H H> H> cn in va σi m Φ- 00 H CO CO CO H> H o co 00 vl •vi CO vo VD VD VD o H to H VD CO v] v] 00 φ. rf* tπ cn vl cn 03 vl 03 -j

Φ. 03 o CO vl 00 00 -o CΛ to to o CΛ CO CΛ CO cn D φ- Φ- tπ -J CΛ 03 00 o CO -J VD φ. 03 σ. oo in oo H to n σ. φ. σ. φ. o Φ. to H rf* CΛ VD CO H> cn VD to in o VD H Φ- LΠ o H< H H CΛ o CΛ va tn n CΛ v] VO CΛ in rf* O H H> vo 00 in LΠ LΠ o en H> vo o O 00 l φ. vo φ. ^■vl 00 CO H vl VD o tn m Φ- 03 vo LO CΛ CO rf* rf* rf* 0J H> φ. o vo 03 to O rf* rf* CΛ in o

H H H> H H H H> H H¹ H> H H H> H H H H" H H" H H¹ H> H^» H> H» H> H> H" H H H> H> H H H> H H H> H H H>

O O o o O O o O o o o o o o o σ O O o O o o o o o o o O o o o o o o o o o o o o o o O o o o O O σ O o o o o o o o O O O O o o o o o O O o o o o o o o o o σ O o O o o o

CΛ cn CΛ tπ tπ φ. Φ- in in in in in in in CΛ en cn CΛ LΠ tn cn CΛ σ. CΛ CΛ CΛ CΛ CΛ CΛ CΛ CΛ vl -J vl CΛ CΛ CΛ vl CΛ CΛ en Φ. H H> 03 H VD o H* H> oo φ. 00 en O to φ. 00 vo vo H LO oo 00 OJ H 00 oo φ- vl in cn va in H 00 vl 00 H> oo LΠ LΠ in CO VD in va in CΛ 00 CO VD H> o o Φ- Φ- cn •vl Φ- oo H> o in φ. in 03 O φ- o oo H> to rf* 03 00 00 o H in LΠ H"

LO o 03 CO O CO H> VD cn to v3 VD LΠ vo vj o H> LΠ φ. o vo H¹ o o cn in oo H VD φ. 00 CΛ CΛ H in CO CO LO O VD Φ- CO

ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω to to td to ω ω ω to

D3 O3 O3 03 D3 O3 O3 03 03 03 03 M M ω o ro ώ θ -o o3 ro o b b θ3 w ro ro ro ro o3 tύ ro ro ro b3 ό3 D3 θ3 W 03 0ω3 0ro3 ω03 ω03 ω03 0ω3 ω03 0ro3 0ω3 0ro3 0ω3 ω ro 03 ωϋ3 ωro ωw όω3 ωro ωro ωro oro3 bω3 ω03 ωro ωw ωro ωro wro wω ωro oω3 θω3 6ro3 roD3 roω tω Dw θw3 D3 D3 03 ό3

Ω a Ω Ω Ω Ω d Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a Ω d Ω Ω Ω Ω d Ω Ω Ω

ATOM 5186 NE2 HIS B 299 126.,061 50,.327 17.,116 1.00 62.,82 BBBB N

ATOM 5187 C HIS B 299 122. ,321 51. ,302 14. ,439 1. ,00 49. .80 BBBB C

ATOM 5188 O HIS B 299 121. ,129 51, .454 14. ,710 1. ,00 51. .05 BBBB O

ATOM 5189 N PRO B 300 122, .837 50, .084 14, ,176 1. ,00 49. .81 BBBB N

ATOM 5190 CD PRO B 300 124. .163 49. .809 13. ,592 1. 00 47. .29 BBBB C

ATOM 5191 CA PRO B 300 122. ,028 48, .852 14. ,230 1. ,00 47. .92 BBBB C

ATOM 5192 CB PRO B 300 123, ,036 47, .764 13, .864 1. ,00 46, .91 BBBB C

ATOM 5193 CG PRO B 300 123, .948 48, .473 12, ,903 1. ,00 46. ,76 BBBB C

ATOM 5194 C PRO B 300 121. ,440 48. .641 15. ,622 1, ,00 42. ,73 BBBB C

ATOM 5195 O PRO B 300 122. ,167 48, . 666 16, .609 1. .00 41. .92 BBBB O

ATOM 5196 N TRP B 301 120, ,133 48, .426 15, ,702 1, .00 43, .07 BBBB N

ATOM 5197 CA TRP B 301 119, .492 48 .255 17, ,002 1. .00 44, .34 BBBB C

ATOM 5198 CB TRP B 301 117, .980 48, .092 16, .840 1, .00 43, .21 BBBB C

ATOM 5199 CG TRP B 301 117. .203 49, .391 16. .860 1. .00 43, .64 BBBB C

ATOM 5200 CD2 TRP B 301 117, .126 50 .338 17, .941 1, .00 43, .11 BBBB C

ATOM 5201 CE2 TRP B 301 116, .236 51, .363 17. .540 1, .00 43, .20 BBBB C

ATOM 5202 CE3 TRP B 301 117. .721 50, .419 19. .209 1. .00 42, .14 BBBB C

ATOM 5203 CD1 TRP B 301 116. .381 49, .874 15. .874 1. .00 43. .76 BBBB C

ATOM 5204 NEl TRP B 301 115, .795 51 .054 16, .277 1, .00 41, .64 BBBB N

ATOM 5205 CZ2 TRP B 301 115. .927 52. .457 18. .363 1. .00 42, .86 BBBB C

ATOM 5206 CZ3 TRP B 301 117. .413 51, .506 20, .025 1, .00 42. .24 BBBB C

ATOM 5207 CH2 TRP B 301 116, .523 52 .510 19, .595 1, .00 43, .17 BBBB C

ATOM 5208 C TRP B 301 120, .040 47, .091 17, .805 1, .00 43, .40 BBBB C

ATOM 5209 O TRP B 301 120, .183 47, .182 19. .022 1, ,00 45. ,39 BBBB O

ATOM 5210 N THR B 302 120. .348 45, .999 17, .115 1. .00 43. .32 BBBB N

ATOM 5211 CA THR B 302 120, .870 44 .793 17, .749 1, .00 44, .25 BBBB C

ATOM 5212 CB THR B 302 120, .839 43, .622 16, .757 1, .00 42, .89 BBBB C

ATOM 5213 OG1 THR B 302 121. .712 43. .890 15, .647 1, .00 42. .31 BBBB O

ATOM 5214 CG2 THR B 302 119. .420 43, .441 16, .235 1, .00 46, .13 BBBB C

ATOM 5215 C THR B 302 122, .284 44 .970 18, .295 1, .00 43, .67 BBBB C

ATOM 5216 O THR B 302 122 .735 44 .183 19 .133 1 .00 45 .92 BBBB O

ATOM 5217 N LYS B 303 122, .969 46 .006 17 .810 1 .00 44, .42 BBBB N

ATOM 5218 CA LYS B 303 124. .327 46, .344 18. .240 1, .00 47. .98 BBBB C

ATOM 5219 CB LYS B 303 125, .090 47, .053 17, .123 1, .00 51, .52 BBBB C

ATOM 5220 CG LYS B 303 125 .602 46 .141 16 .022 1 .00 58 .00 BBBB C

ATOM 5221 CD LYS B 303 126, .702 45, .200 16, .513 1, .00 62. .74 BBBB C

ATOM 5222 CE LYS B 303 127, .429 44, .546 15. .326 1, .00 66, .36 BBBB C

ATOM 5223 NZ LYS B 303 128 .598 43, .693 15, .727 1 .00 69, .35 BBBB N

ATOM 5224 C LYS B 303 124 .273 47 .267 19 .450 1 .00 49 .45 BBBB C

ATOM 5225 O LYS B 303 125 .193 47 .268 20 .275 1 .00 48 .33 BBBB O

ATOM 5226 N VAL B 304 123 .193 48 .051 19 .542 1 .00 46 .86 BBBB N

ATOM 5227 CA VAL B 304 122 .985 48 .993 20 .646 1 .00 44 .58 BBBB C fc fc fc fc fc fc c fc fc fc fc fc fc c fc fc fc fc fc fc fc fc fc fc cf c 3 δ f fc fc t-3 fc f fc

H H δ t- HI ι-3 H t-3 δ H fc fc fc fc fc fc t-3 ι-3 Hi t-3 δ HI fc fc f

H HI Hi H Hi t-3 Hi t-3 t-3 H t-3 t-3 t-3 ι-3 t-3 t-3 t-3 t-3 ι-3 t-3 HI t-3 H t-3 t-3 H d d d d d d d d d d d d d d O d d d d d d d d d d d d d d d d d d d d d d d d d d d

2 2 2 2 2 3 3 3 3 3 2 2 2 2 3 2 2 2 2 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 in LΠ tπ on tπ in tπ in in in LΠ m tπ LΠ tn tπ in in in LΠ LΠ in tπ tπ in tπ iπ m LΠ in Lπ LΠ in LΠ in LΠ in in in in in LΠ t to to to to co to to to to to to to to to to to to cn cn cn cn cn in in LΠ tn in in in in tπ LΠ φ- φ. φ. rf* φ. rf* rf* rf* rf* oo oo OJ to vo va in rf* to o vo CΛ in o vo va iπ rf_* oo o cn iπ rf* H> o vo g Ω a Ω Ω Ω P a d Ω Ω Ω P Ω a d Ω g ffi to α Ω 03 fc Ω 03 fc D ffi § Ω ffi N a Ω Ω Ω p a d Ω Ω Ω Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω

CO D Ω 03 fc tS) CO CO D t α Ω 03 fc Ω Ω 03 δ 13 13 X £ 13 13 13 13 13 t δo to to to δto to to to to X to to to to is S i is is is i is is i ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi

Ω d O d d d Ω O Ω Ω Ω Ω Ω Ω Ω 0 0 0 g s3

61 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω GO to to to to to to to to to CO X X X X X

03 03 ω ω to 03 03 ω ω X ω 03 to 03 03 ω 03 03 ro ω to 03 ω 03 03 to to to 03 ω 03 03 03 03 ω 03 X to X X 03 oo oo oo oo oo oo oo co oo oo to oo to oo oo oo oo oo oo o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o oo co cn cn cn cn cn on in in tπ LΠ in on in in LΠ in φ- φ. rf*

H> H> H H H H H H H" H H to to to to CO to CO to CO to to H to

VD to H> to tn rf_* fr_* to cn rf* in Lπ rf_* rf_* v vo o to H σ. φ- H¹ in in rf_* rf_* o o o rf_* vo cn φ. rf_* to rf_* v rf_* cn o φ. tπ rf_* rf* o o o rf_* o o ιn to rf* tπ vo cn vo to oo ~a en oo LΠ vo rf_* o o en en to rf_* rf_* rf_* rf_* rf_* rf_* rf_* rf* rf* rf_* rf_* rf_* rf* φ. φ. rf_* rf_* φ- Φ- Φ. rf* rf_* in m φ. tn o vo o to en en rf* rf_* φ- in vo in a o vo o H> o to o en H o o en H cn cn in in o vo H o φ- rf* vo rf_* cn vo vo vo o rf_* cn en en oo en co tn o rf* o o in en en en oo rf_* en vo vo cn m rf_* o tπ vo vo oo to to to to to to to to O to to o cn in rf* to O rf_* o o en en rf* to H> vo o vo in o rf* rf_* tn o vo oo cn rf_* vo in Φ- in φ. o o vo cn cn H o CΛ vo o to rf_* φ- rf_* o Φ- LΠ o in vo o o rf* in o o o in rf_* to rf* CΛ vo en in cn in CO o vo

H H H H H> o o o o o o o o o o o o o o o o o o σ o o o o o o σ o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o in in rf_* tπ in rf_* in in tπ in in in -a en tn m rf_* rf* φ. φ. φ. rf* rf_* rf* φ- cn in H vo o H> O H H to to cn tπ rf* en va rf_* rf* o H H> o to to tn o vo H to H LΠ in cn o vo o va cn in rf* co o in tn o in to rf_* o vo rf* VD oo vo o H> rf* oo tn o vo o m

ω ω ww ωω ωω ωω ωω ωK ωω ωω ωω ωω ωω ωω ωω ωtø ωω ωω ωω roω wω ωω ωω ωω ωω ωω ωω ωro ωω ωω ωω ωω ωω ωω ωω ωω roω ωω ω ω ω ω ω ro ω ω ω ω ω ω ro ω ω ω ω ω ω -o ω ω ω ω ω ω ω ro w ω ω ω ω ω ω ω ω ω ω ω ω ω ro ω ro ω ω M ω ro ω ω ω ω ω ω ω ω ω ω ω w ro ω ω ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ω ω to ω ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω d Ω a Ω a Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω Ω Ω O a d Ω Ω Ω

fc fc fc fc fc f t-3 H tcf-3 t-3 t-3 fc

H t-3 δ c t-3 H3 d Ω d Ω d d d d O

3 3 3 3 3 3 3 3 3

in in LΠ on LΠ on in on in LΠ in Lπ on LΠ tπ LΠ in m in in in in in tπ LΠ LΠ in Lπ tn in in in in in in in on LΠ m in tn LΠ

LO 00 LO oo J LO OJ OJ oo OJ OJ oo CO CO CO CO CO to CO CO CO CO to t to to to CO CO to O to CO CO CO CO CO CO to to O CO

H H> o o o o o o o o o o vo VD VD VD VD vo D o vo vo oo CO 03 03 CO CO CO 03 00 co vl ^•vl va -a 1

H> o vo 00 -J cn in Φ> oo CO H o VD CO vl CΛ LΠ Φ- 10 CO H> o vo 03 -J CΛ in Φ- 0J CO H o VD 00 cn m rf* OJ CO H» o

Ω Ω Ω a d Ω Ω p a d Ω d d Ω Ω Ω p a O Ω Ω Ω Ω Ω a d Ω Ω Ω 9 Ω a d Ω Ω d Ω Ω a d Ω g

Ω 03 fc 03 fc to to X Ω 03 fc Ω 03 fc c X

CO CO H> o Ω 03 fc α Ω Ω 03 f to H> CO

H H H Hi fc fc fc fc Ω Ω Ω Ω Ω Ω Ω Ω Ω 13 13 13 13 13 13 13 13 13 13 13 13 13 13 Hi t-3 t-3 H t-3 t-3 Hi fc fc fc tr* tr* Ir* t* H H

13 6 13 X tr* tr* tr* tr* tr* ir* ir* tr* 3 X to X to X to to X X X to to X ffi ffi ffi ffi ffi ffi ffi X X

CO CO CO CO fc fc fc G G G G G G G G G O O d O O O d d o O O d d d to X to to to to to Ω Ω Ω to 03 03 03 to 03 03 to ω 03 to to to 03 03 to 03 to 03 ω 03 X to 03 03 03 w X X 03 03 03 03 X 03 03 03 03 03 to to to

OJ OJ 00 00 OJ LO OJ 0J 00 00 OJ LO OJ 00 to 00 LO to LO LO 00 OJ 00 00 CO OO LO 00 00 Lo 00 LO LO LO LO L 00 OJ to 00 to J

H H H> H H* H H H H H H¹ H H> H H> H> H> H> H H> M H H H" H H> H H H¹ H H H O o o o o o o o o o rf* rf* rf* rf* J 0J LO OJ 0J CO CO O to to to to to DO H H> H¹ H H H o o o o o o o VD vo vo VD vo VD o oo CO 00

H> H» H H H> H* H H H H H H> H H H H H> H H H H> H H H H H H H H> H H H> H> H H H> H¹ H H H H H H H H H H H H> H> H H" H¹ O o o o H> H H H H» H> H¹ H> H> H< H H> H H H> H H H H H H CO H CO to CΛ LΠ rf* rf* t CO OJ to CO σ H vl oo 03 vo O H> CO 10 OJ LΠ φ. φ. LΠ tπ in in φ- φ- in cn cn 03 vl -J vo vo 00 o vo o H rf* CO cn o Φ- o 0J Φ- to rf* CO 00 in σi 03 O O 0J to OJ 00 0J 0*. H O H CO oo LΠ CΛ 00 H> VD vl VD H> VD H 0J DO LO VD to vo CO VD 00 rf* o o rf* H> in rf* 00 VD 00 -J φ- VD Lπ vo o H¹ O O φ. 00 LΠ to oo tπ o vo φ. rf* CΛ H¹ φ. in en tn in oo VO rf* φ. CO o σ 00 VD VD H H> co oo to on H 00 VD 03 H> CΛ v CΛ OJ oo vo o H OJ 00 CO 03 CO o CΛ vo rf* rf* rf* rf* rf* rf* φ- φ- φ- Φ- φ- oo 00 0J LO φ. Φ- φ. rf* φ. 00 0J Φ- 00 OJ φ- φ. φ- 00 LO rf* φ. φ. φ. φ. φ- φ- rf* rf* OJ LO 00 m rf* tπ rf* CΛ rf* J J CO LO O 00 VD o o DO H 00 VD O 00 VD H o o vo vo o o o o 00 00 O o CO CO φ-

LΠ CΛ rf* in H vo cn vo CΛ tn CΛ oo VD t o φ- 00 CΛ DO H H H OJ H n φ. to o H> 00 o o H 0J H to rf* o CO φ- vo VD en en LO v] O vl vl O VD in CO in VD φ- in o CO H¹ VD m O σ. O cn H in φ. vo CO v] vo o vo vl VD o VD O φ. H vo vo rf* ■vl 00 vl in OJ O O 03 CO φ. H> CO O to tn vl OJ to 00 in 03 to 00 LΠ H o H vo φ. vl to CΛ o φ. vo o CO vl o 0J

H to CO to to to CO CO O CO CO CO CO CO CO to CO to CO to H> CO CO CO CO O CO to CO CO CO CO CO CO CO CO CO CO CO to oo VD o H to O 00 in OJ 00 CO CO H 00 H> H CO H> H» o o o vo o H> H> CO CO cn in rf* cn φ. LO φ. φ. m rf* on in CΛ in o in m oo to vo o H vo H H to O H D φ. H> tπ 0J CΛ vo Φ- φ- φ- vl VD CD H> o o O CO H LO 0*. v] CO o o in n v] VD o 00 rf* H o tn VD H O CΛ in to rf* in O H rf* 0J l 03 03 in o 00 CΛ l LΠ rf* v n H o rf* LO H vl CO 10 v rf* VD 00 in CO rf* LΠ o CΛ CO O H tn CO o to CΛ 0J 03 rf* VD to Φ- o 00 o H vl H o tn o LO oo rf* va VD H 00

H> H H" H> H* H H H H¹ H H H H H H H> H> H H H> H H H H H> H H> H> H> H H H> H H H H¹ H> H> H» I-¹ o o O o o σ o o O O o O o o o o O o o O O O O o o o o o o o o o o o o o o o o o o o o o o o o o o o O σ o O o o o o O o o O O O O O o o o o o o o o o σ o o o o o o o o

CO OJ oo oo OJ LO oo oo 0J OO rf* rf* Φ- rf* LO 0J 0J rf* OJ to LO to to 00 OJ LO φ. LO 00 φ- φ- φ. φ- tπ tπ rf* rf* φ, in in 00 VD H» rf* φ. 00 tπ 00 in φ- vl CΛ φ. oo va CO 03 00 rf* o 00 -o v Φ- OJ vl vo 00 CO cn vo o OJ CΛ φ- H o VD CO to H in

O 00 VD vo o rf* 00 O OJ o in vo H H> 00 cn CO H> OJ Φ. VO OJ LΠ CΛ cn oo cn to cn o φ- 03 tn LΠ CO in o H o O CΛ LΠ CO LΠ VD in vo rf* in CΛ rf* 00 Φ- in oo LΠ o H H> o H> O va LΠ CO 1 o vl v3 cn CO vl H VD vl o 00 φ. o 00

ω ω ω ω ω ω ω ω ω w ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ω ω ω ω ω ro ro ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω to ro -o -o ro ro ro ro ffl 03 w ro -o ro w ro o3 03 03 ro o3 ro M w w ro ro ro ro w o3 ro ro ro ro o3 or w w -o ro o3 W 03 03 ro w D3 03 03 03 W M 03 M ro ro ro ro o3 w ro o3 03 03 ffl o 03 ro

Ω Ω Ω a d Ω Ω Ω a O Ω d d Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a d Ω Ω d Ω Ω a d Ω a

ATOM 5312 CGI ILE B 314 116.829 44.,136 21.,615 1.00 31.92 BBBB C

ATOM 5313 CD1 ILE B 314 117. 962 43, ,331 20. ,997 1. ,00 30. ,15 BBBB C

ATOM 5314 C ILE B 314 113. 696 45. ,893 20. ,231 1. ,00 36. ,37 BBBB C

ATOM 5315 O ILE B 314 113. ,714 47, ,051 19. ,784 1. ,00 37. ,76 BBBB O

ATOM 5316 N ALA B 315 112. 835 44. ,977 19. ,796 1. ,00 35. ,76 BBBB N

ATOM 5317 CA ALA B 315 111. 851 45. .306 18. ,775 1. ,00 33, ,99 BBBB C

ATOM 5318 CB ALA B 315 111. 071 44. ,063 18. ,393 1. ,00 32. ,93 BBBB C

ATOM 5319 C ALA B 315 110. ,910 46, .386 19, ,308 1. ,00 35. ,79 BBBB C

ATOM 5320 O ALA B 315 110. ,736 47. ,439 18. ,698 1. ,00 32. ,75 BBBB O

ATOM 5321 N LEU B 316 110. ,309 46. ,113 20, ,458 1. ,00 34. ,19 BBBB N

ATOM 5322 CA LEU B 316 109. ,400 47. ,051 21, ,077 1. ,00 31. ,96 BBBB C

ATOM 5323 CB LEU B 316 108. .999 46. .542 22, .455 1. .00 30. ,78 BBBB C

ATOM 5324 CG LEU B 316 108. .241 47, .532 23, ,340 1. .00 32. .50 BBBB C

ATOM 5325 GDI LEU B 316 107. .035 48, ,087 22, .598 1, .00 31, .44 BBBB C

ATOM 5326 CD2 LEU B 316 107. .811 46, ,831 24. .617 1, .00 32, .90 BBBB C

ATOM 5327 C LEU B 316 110, .068 48, .401 21, .220 1, .00 34, .91 BBBB C

ATOM 5328 O LEU B 316 109, .518 49, .431 20, .845 1, .00 33. .56 BBBB O

ATOM 5329 N CYS B 317 111. .271 48, .387 21. .766 1. .00 38. .16 BBBB N

ATOM 5330 CA CYS B 317 112. .015 49, .610 21, .989 1, .00 39, .63 BBBB C

ATOM 5331 CB CYS B 317 113, .371 49, ,268 22. ,581 1, .00 44, .14 BBBB C

ATOM 5332 SG CYS B 317 114, .176 50, .653 23, .311 1, .00 52, .32 BBBB S

ATOM 5333 C CYS B 317 112. .191 50, .430 20. .722 1. .00 39, .76 BBBB C

ATOM 5334 O CYS B 317 112, .071 51, .649 20, .740 1, .00 39, .52 BBBB O

ATOM 5335 N SER B 318 112. .465 49, .763 19, .612 1. .00 39, .01 BBBB N

ATOM 5336 CA SER B 318 112, .653 50, .471 18, .357 1, .00 39, .96 BBBB C

ATOM 5337 CB SER B 318 113. .202 49, .519 17. .301 1, ,00 39, .87 BBBB C

ATOM 5338 OG SER B 318 112, .173 48, .678 16, .800 1, .00 45, .38 BBBB O

ATOM 5339 C SER B 318 111, .358 51, .096 17, .831 1, .00 41, .16 BBBB C

ATOM 5340 O SER B 318 111 .392 51. .868 16, .874 1, .00 40, .75 BBBB O

ATOM 5341 N ARG B 319 110, .223 50, .749 18, .440 1, .00 39, .37 BBBB N

ATOM 5342 CA ARG B 319 108 .918 51 .274 18, .025 1. .00 37 .88 BBBB C

ATOM 5343 CB ARG B 319 107 .858 50. .173 18, .053 1, .00 39 .77 BBBB C

ATOM 5344 CG ARG B 319 108 .095 49 .078 17 .051 1 .00 41 .12 BBBB C

ATOM 5345 CD ARG B 319 107 .921 49 .595 15, .635 1, .00 40 .70 BBBB C

ATOM 5346 NE ARG B 319 106 .761 48 .976 15 .002 1 .00 50 .11 BBBB N

ATOM 5347 CZ ARG B 319 105 .577 49 .561 14 .837 1, .00 48 .24 BBBB C

ATOM 5348 NHl ARG B 319 105 .379 50 .807 15, .249 1, .00 56, .42 BBBB N

ATOM 5349 NH2 ARG B 319 104 .580 48 .884 14 .281 1, .00 46 .39 BBBB N

ATOM 5350 C ARG B 319 108 .486 52 .387 18 .953 1. .00 39 .70 BBBB C

ATOM 5351 O ARG B 319 107 .416 52 .979 18 .794 1. .00 43 .29 BBBB 0

ATOM 5352 N LEU B 320 109 .324 52 .656 19 .942 1, .00 38 .70 BBBB N

ATOM 5353 CA LEU B 320 109 .036 53 .705 20 .896 1 .00 38 .21 BBBB C ATOM 5354 CB LEU B 320 109,,213 53..183 22,,318 1.,00 35.,10 BBBB C

ATOM 5355 CG LEU B 320 108. ,368 51, ,950 22, ,645 1, ,00 36, ,88 BBBB C

ATOM 5356 CD1 LEU B 320 108, ,788 51, ,397 23, ,982 1. ,00 33. ,93 BBBB C

ATOM 5357 CD2 LEU B 320 106. ,906 52. ,305 22. ,662 1. 00 27. 32 BBBB C

ATOM 5358 C LEU B 320 110. ,009 54. ,835 20. ,624 1. ,00 39. ,86 BBBB C

ATOM 5359 O LEU B 320 109. ,614 55. ,993 20. ,555 1. ,00 40. ,17 BBBB O

ATOM 5360 N LEU B 321 111. ,280 54, ,490 20. .447 1. ,00 36. ,14 BBBB N

ATOM 5361 CA LEU B 321 112, ,303 55. ,482 20, ,177 1. ,00 33. ,74 BBBB C

ATOM 5362 CB LEU B 321 113. ,644 55. .008 20. .730 1. ,00 29. ,39 BBBB C

ATOM 5363 CG LEU B 321 113, .585 54. .624 22. .218 1. ,00 33. ,44 BBBB c

ATOM 5364 GDI LEU B 321 114. .984 54. .297 22. .714 1, .00 30, ,62 BBBB c

ATOM 5365 CD2 LEU B 321 112. .978 55. .752 23. .043 1, ,00 33. ,29 BBBB c

ATOM 5366 C LEU B 321 112. .401 55. .777 18, .684 1. ,00 37. ,84 BBBB c

ATOM 5367 O LEU B 321 113, .347 55, .380 18, .003 1, ,00 37. .19 BBBB 0

ATOM 5368 N GLU B 322 111, .393 56. ,489 18. .197 1, .00 39. .91 BBBB N

ATOM 5369 CA GLU B 322 111, .282 56. .896 16. .805 1. ,00 42. .61 BBBB C

ATOM 5370 CB GLU B 322 110, .017 56, .290 16, .201 1. .00 44. .85 BBBB C

ATOM 5371 CG GLU B 322 110, .137 54, .823 15, .895 1, .00 52, .96 BBBB C

ATOM 5372 CD GLU B 322 110, ,352 54. .565 14, .417 1. .00 56. .32 BBBB c

ATOM 5373 OEl GLU B 322 110. .951 55. .438 13, .736 1. ,00 57. .18 BBBB 0

ATOM 5374 OE2 GLU B 322 109, .927 53. .485 13, ,940 1, ,00 57. .25 BBBB 0

ATOM 5375 C GLU B 322 111, .189 58. .422 16, ,717 1, .00 41. .74 BBBB c

ATOM 5376 O GLU B 322 110, .550 59, ,050 17, .561 1, ,00 44, .71 BBBB 0

ATOM 5377 N TYR B 323 111, .820 59. ,013 15, ,703 1, ,00 41. ,22 BBBB N

ATOM 5378 CA TYR B 323 111, .778 60. ,463 15, .491 1. .00 40. .27 BBBB C

ATOM 5379 CB TYR B 323 112. .658 60, .845 14, .306 1, .00 35, .78 BBBB C

ATOM 5380 CG TYR B 323 114 .109 61, .031 14 .660 1, .00 34, .68 BBBB C

ATOM 5381 CD1 TYR B 323 115 .115 60, .577 13 .812 1 .00 35 .95 BBBB C

ATOM 5382 CEl TYR B 323 116 .464 60, .808 14 .105 1, .00 37, .56 BBBB C

ATOM 5383 CD2 TYR B 323 114 .482 61 .717 15 .815 1 .00 34 .12 BBBB c

ATOM 5384 CE2 TYR B 323 115 .816 61 .956 16 .113 1 .00 33 .75 BBBB c

ATOM 5385 CZ TYR B 323 116 .802 61 .503 15 .257 1 .00 33 .07 BBBB c

ATOM 5386 OH TYR B 323 118 .128 61 .762 15 .540 1 .00 39 .25 BBBB 0

ATOM 5387 C TYR B 323 110 .359 60 .976 15 .237 1 .00 42 .31 BBBB c

ATOM 5388 O TYR B 323 109 .932 61 .969 15 .838 1 .00 42 .86 BBBB 0

ATOM 5389 N THR B 324 109 .635 60 .302 14 .343 1 .00 42, .29 BBBB N

ATOM 5390 CA THR B 324 108 .259 60 .691 14 .014 1 .00 43 .10 BBBB c

ATOM 5391 CB THR B 324 107 .798 60, .050 12 .692 1 .00 40 .78 BBBB c

ATOM 5392 OG1 THR B 324 108 .597 60 .557 11 .612 1 .00 42 .05 BBBB 0

ATOM 5393 CG2 THR B 324 106 .332 60 .363 12 .433 1 .00 37 .49 BBBB c

ATOM 5394 C THR B 324 107 .261 60 .316 15 .115 1 .00 44 .08 BBBB c

ATOM 5395 O THR B 324 106 .876 59 .147 15 .253 1 .00 46 .73 BBBB 0 ATOM 5396 N PRO B 325 106,.824 61..313 15,.910 1.,00 45.20 BBBB N

ATOM 5397 CD PRO B 325 107 .227 62, .731 15 .783 1, .00 46 .23 BBBB C

ATOM 5398 CA PRO B 325 105, .870 61, .136 17, .017 1. .00 43 .46 BBBB C

ATOM 5399 CB PRO B 325 105 .469 62 .572 17 .340 1 .00 41 .11 BBBB C

ATOM 5400 CG PRO B 325 106 .758 63, .327 17 .087 1, .00 43 .41 BBBB C

ATOM 5401 C PRO B 325 104 .659 60, .231 16, .731 1. .00 43 .19 BBBB C

ATOM 5402 O PRO B 325 104 .271 59, .404 17 .555 1, .00 41 .92 BBBB O

ATOM 5403 N THR B 326 104 .065 60 .400 15 .560 1, .00 42 .97 BBBB N

ATOM 5404 CA THR B 326 102 .902 59, .619 15 .159 1, ,00 45 .88 BBBB C

ATOM 5405 CB THR B 326 102, .285 60, .192 13, .872 1, .00 47 .27 BBBB C

ATOM 5406 OG1 THR B 326 103 .336 60, .525 12, .952 1, ,00 48 .09 BBBB O

ATOM 5407 CG2 THR B 326 101, .467 61, .430 14, .173 1. .00 45, .02 BBBB C

ATOM 5408 C THR B 326 103. .260 58. .160 14. ,905 1. ,00 44, .95 BBBB c

ATOM 5409 O THR B 326 102, .386 57. .296 14, .931 1, .00 44, .64 BBBB 0

ATOM 5410 N ALA B 327 104, .544 57, ,902 14, .652 1. .00 42 .34 BBBB N

ATOM 5411 CA ALA B 327 105, .054 56, .558 14, .378 1. .00 42, .47 BBBB C

ATOM 5412 CB ALA B 327 106. .425 56. .647 13, .716 1. ,00 40, .60 BBBB C

ATOM 5413 C ALA B 327 105, .155 55. .715 15. .642 1, .00 41, .72 BBBB C

ATOM 5414 O ALA B 327 105, .077 54, .484 15, .589 1, ,00 44 .12 BBBB O

ATOM 5415 N ARG B 328 105 .342 56, ,383 16, .776 1. ,00 40 .91 BBBB N

ATOM 5416 CA ARG B 328 105, .458 55, .702 18, .056 1. ,00 40, .59 BBBB C

ATOM 5417 CB ARG B 328 105, .825 56, .691 19, .163 1. .00 38 .11 BBBB C

ATOM 5418 CG ARG B 328 107, .186 57. .325 18. .991 1. ,00 38, .23 BBBB C

ATOM 5419 CD ARG B 328 107, .344 58. .559 19, .868 1. .00 37, .53 BBBB c

ATOM 5420 NE ARG B 328 108, .377 59. .433 19. .319 1. .00 38, .77 BBBB N

ATOM 5421 CZ ARG B 328 108. .548 60. .706 19. .657 1. ,00 39. .82 BBBB C

ATOM 5422 NHl ARG B 328 107, .750 61. .266 20, .559 1. ,00 37, .09 BBBB N

ATOM 5423 NH2 ARG B 328 109, .503 61. .426 19, .072 1. .00 41, .98 BBBB N

ATOM 5424 C ARG B 328 104, ,167 54. .998 18. .426 1, .00 40, .62 BBBB C

ATOM 5425 O ARG B 328 103. ,071 55. ,463 18. .101 1, ,00 39. .04 BBBB O

ATOM 5426 N LEU B 329 104, .323 53. ,868 19. .109 1. ,00 39. .52 BBBB N

ATOM 5427 CA LEU B 329 103. ,209 53. ,047 19. .569 1. .00 38. .27 BBBB C

ATOM 5428 CB LEU B 329 103, .763 51. .744 20. .172 1. ,00 35. .46 BBBB C

ATOM 5429 CG LEU B 329 103. .732 50. ,364 19. .494 1, ,00 35. ,79 BBBB C

ATOM 5430 CD1 LEU B 329 103, .957 50, ,431 17. .996 1. ,00 25. .13 BBBB C

ATOM 5431 CD2 LEU B 329 104, .792 49, .510 20, .164 1. .00 36, .65 BBBB c

ATOM 5432 C LEU B 329 102 .415 53, .809 20, .633 1, .00 38, .44 BBBB c

ATOM 5433 O LEU B 329 102, .957 54, .681 21, ,325 1, .00 38, .56 BBBB 0

ATOM 5434 N THR B 330 101, .129 53. .497 20. .756 1. .00 40, .82 BBBB N

ATOM 5435 CA THR B 330 100, .312 54. .137 21. ,775 1. .00 42, .88 BBBB C

ATOM 5436 CB THR B 330 98, ,807 54, .251 21. .345 1. .00 44, .91 BBBB C

ATOM 5437 OG1 THR B 330 98, ,226 52. .948 21. .228 1, ,00 47. ,29 BBBB O ATOM 5438 CG2 THR B 330 98,.682 54..969 20..009 1.00 41,.85 BBBB C

ATOM 5439 C THR B 330 100. .446 53. .242 23, .010 1. 00 42. ,56 BBBB C

ATOM 5440 O THR B 330 100. .727 52. .051 22, ,890 1. 00 44. . 66 BBBB O

ATOM 5441 N PRO B 331 100. .276 53. .801 24. .212 1. ,00 41, .93 BBBB N

ATOM 5442 CD PRO B 331 100. .047 55. .206 24, .589 1, ,00 35, .89 BBBB C

ATOM 5443 CA PRO B 331 100, .403 52. .956 25, .399 1. ,00 39, .49 BBBB C

ATOM 5444 CB PRO B 331 99, .873 53, .855 26, .503 1. ,00 39, .89 BBBB C

ATOM 5445 CG PRO B 331 100, .373 55, .194 26, .065 1. ,00 39, .34 BBBB C

ATOM 5446 C PRO B 331 99 . .658 51, .624 25, .301 1. ,00 40, .35 BBBB C

ATOM 5447 O PRO B 331 100, .190 50, .585 25, .680 1. ,00 41, .21 BBBB O

ATOM 5448 N LEU B 332 98, .432 51, ,640 24, .797 1. ,00 40, .88 BBBB N

ATOM 5449 CA LEU B 332 97, .694 50. .391 24, ,670 1. ,00 43, .51 BBBB C

ATOM 5450 CB LEU B 332 96, .277 50. .635 24. .157 1. ,00 46, .43 BBBB C

ATOM 5451 CG LEU B 332 95, .186 50. .948 25. .180 1. .00 47. .84 BBBB C

ATOM 5452 GDI LEU B 332 93. .843 50. .940 24. .472 1. ,00 48, .76 BBBB C

ATOM 5453 CD2 LEU B 332 95. .186 49. .907 26. .288 1. ,00 46. .03 BBBB C

ATOM 5454 C LEU B 332 98, .409 49, .438 23, .727 1. ,00 45, .58 BBBB C

ATOM 5455 O LEU B 332 98, .654 48. .290 24, .084 1. .00 47, .03 BBBB O

ATOM 5456 N GLU B 333 98 .736 49. .915 22 .526 1. .00 45 .97 BBBB N

ATOM 5457 CA GLU B 333 99 .441 49. .097 21 .542 1. .00 46 .83 BBBB C

ATOM 5458 CB GLU B 333 99 .896 49. .935 20 .340 1. .00 50 .26 BBBB C

ATOM 5459 CG GLU B 333 98, .801 50, .690 19 .605 1, .00 52, .01 BBBB C

ATOM 5460 CD GLU B 333 99, .342 51, .517 18 .444 1, .00 54, .31 BBBB C

ATOM 5461 OEl GLU B 333 100, .407 52, .154 18, .598 1. .00 52, .71 BBBB O

ATOM 5462 OE2 GLU B 333 98, .692 51, .540 17. .376 1. .00 55, .78 BBBB O

ATOM 5463 C GLU B 333 100, .676 48, .465 22. .177 1. ,00 45, .18 BBBB C

ATOM 5464 O GLU B 333 100, .986 47, .303 21, .912 1, ,00 47, .94 BBBB O

ATOM 5465 N ALA B 334 101. .381 49, .236 23. .004 1. .00 41, .57 BBBB N

ATOM 5466 CA ALA B 334 102, .583 48. .749 23. .676 1. .00 40, .86 BBBB C

ATOM 5467 CB ALA B 334 103. .244 49, .881 24, .452 1, .00 37. .40 BBBB C

ATOM 5468 C ALA B 334 102. .246 47. .593 24, .613 1. .00 40. .62 BBBB C

ATOM 5469 O ALA B 334 102, .929 46. .572 24, .615 1. .00 40. .56 BBBB O

ATOM 5470 N CYS B 335 101. .191 47. .763 25, .406 1. .00 40. .71 BBBB N

ATOM 5471 CA CYS B 335 100. .749 46. .736 26, .340 1. ,00 40. .56 BBBB C

ATOM 5472 CB CYS B 335 ^"99, .462 47. .166 27 .044 1, .00 39, .91 BBBB C

ATOM 5473 SG CYS B 335 99, .720 48. .328 28 .398 1, .00 45, .78 BBBB S

ATOM 5474 C CYS B 335 100, .491 45, ,437 25 .610 1, ,00 41, .16 BBBB C

ATOM 5475 O CYS B 335 100, .753 44. .353 26 .128 1, ,00 39, .62 BBBB O

ATOM 5476 N ALA B 336 99 .966 45, .563 24 .399 1 .00 38 .84 BBBB N

ATOM 5477 CA ALA B 336 99 .655 44, .412 23 .565 1 .00 38 .75 BBBB C

ATOM 5478 CB ALA B 336 98 .517 44, .755 22 .633 1 .00 32 .30 BBBB C

ATOM 5479 C ALA B 336 100 .870 43, .954 22 .757 1 .00 38 .38 BBBB c ATOM 5480 O ALA B 336 100.,785 43.,032 21..950 1..00 37..40 BBBB O

ATOM 5481 N HIS B 337 102. ,012 44. .589 22. .964 1. ,00 37. .93 BBBB N

ATOM 5482 CA HIS B 337 103. .165 44. .173 22. .203 1. ,00 37. .71 BBBB C

ATOM 5483 CB HIS B 337 104. .337 45. ,139 22. .396 1. ,00 32. .01 BBBB C

ATOM 5484 CG HIS B 337 105. ,490 44. .869 21, .475 1. ,00 33, .76 BBBB c

ATOM 5485 CD2 HIS B 337 105. .757 45. .321 20. .227 1. ,00 30, .39 BBBB c

ATOM 5486 NDl HIS B 337 106. .526 44. .020 21. .802 1, ,00 32, .98 BBBB N

ATOM 5487 CEl HIS B 337 107. .382 43. .963 20, .797 1. ,00 29, .78 BBBB C

ATOM 5488 NE2 HIS B 337 106. .939 44. .743 19, .829 1. ,00 27, .92 BBBB N

ATOM 5489 C HIS B 337 103. .573 42. .759 22. .592 1. ,00 39, .88 BBBB C

ATOM 5490 O HIS B 337 103. .487 42, .355 23, .762 1. ,00 40. .51 BBBB O

ATOM 5491 N SER B 338 104. .000 42. .020 21, .573 1. ,00 41. .00 BBBB N

ATOM 5492 CA SER B 338 104. .454 40. .645 21. .689 1, .00 40. .58 BBBB C

ATOM 5493 CB SER B 338 105. .205 40, .282 20, .406 1, .00 39. .84 BBBB C

ATOM 5494 OG SER B 338 105. .488 38. .904 20. .346 1, .00 48, .19 BBBB O

ATOM 5495 C SER B 338 105. .358 40, .440 22, .905 1, .00 39, .57 BBBB C

ATOM 5496 O SER B 338 105, .342 39, .390 23, .534 1. .00 40, .24 BBBB O

ATOM 5497 N PHE B 339 106. .142 41, ,458 23. .236 1. .00 38, ,84 BBBB N

ATOM 5498 CA PHE B 339 107, .078 41, .397 24. .351 1. .00 36, .55 BBBB C

ATOM 5499 CB PHE B 339 107, .887 42, .694 24. .388 1. ,00 37, .19 BBBB C

ATOM 5500 CG PHE B 339 108, ,831 42, .791 25, .543 1. ,00 34, .52 BBBB C

ATOM 5501 CD1 PHE B 339 109, ,842 41, .858 25. ,712 1. .00 35, .71 BBBB C

ATOM 5502 CD2 PHE B 339 108, .702 43, .811 26. .474 1, .00 34, .52 BBBB C

ATOM 5503 CEl PHE B 339 110, .712 41, .937 26. .797 1. .00 31, .85 BBBB C

ATOM 5504 CE2 PHE B 339 109, .569 43, .902 27. .568 1. .00 34, .13 BBBB C

ATOM 5505 CZ PHE B 339 110, .574 42, .963 27. .728 1. .00 37. .18 BBBB C

ATOM 5506 C PHE B 339 106, .418 41, .151 25. .705 1. .00 40, .14 BBBB c

ATOM 5507 O PHE B 339 107, .069 40, .726 26. ,663 1. .00 42, .06 BBBB 0

ATOM 5508 N PHE B 340 105. .120 41. .403 25. ,796 1, ,00 42. .20 BBBB N

ATOM 5509 CA PHE B 340 104, .429 41. ,203 27. ,061 1, ,00 40. .98 BBBB c

ATOM 5510 CB PHE B 340 103, .512 42. .392 27. .318 1, ,00 37. ,93 BBBB c

ATOM 5511 CG PHE B 340 104. .261 43. .680 27. .498 1. .00 36, ,43 BBBB c

ATOM 5512 GDI PHE B 340 105, .082 43. .868 28. .609 1. ,00 32, ,32 BBBB c

ATOM 5513 CD2 PHE B 340 104. .189 44, .685 26. .541 1. .00 33, .19 BBBB c

ATOM 5514 CEl PHE B 340 105. .822 45, .035 28, .760 1. .00 28, .57 BBBB c

ATOM 5515 CE2 PHE B 340 104 .927 45 .855 26, .685 1, .00 26, .13 BBBB c

ATOM 5516 CZ PHE B 340 105 .743 46 .031 27, .794 1, .00 25 .20 BBBB c

ATOM 5517 C PHE B 340 103 .647 39 .898 27, .126 1, .00 40 .89 BBBB c

ATOM 5518 0 PHE B 340 102 .988 39 .619 28, .126 1, .00 38 .73 BBBB 0

ATOM 5519 N ASP B 341 103 .736 39 .102 26, .061 1, .00 41 .36 BBBB N

ATOM 5520 CA ASP B 341 103 .030 37 .824 25, .977 1. .00 43 .34 BBBB c

ATOM 5521 CB ASP B 341 103 .482 37 .044 24. .729 1 .00 38 .70 BBBB c fc d 3

in m LΠ in Lπ m m LΠ on LΠ LΠ LΠ LΠ in in in in in in in LΠ on in Lπ in in in LΠ in in in LΠ LΠ in in in m m in tπ LΠ LΠ LΠ in in LΠ in tn in m in LΠ LΠ in LΠ m in LΠ LΠ in in LΠ in tn cn cn cn LΠ in in LΠ in rf* rf* rf* rf* rf* rf* rf* rf_* rf* Φ- oo 00 LO 00 00 00 oo oo CO to O CO H o vo 00 v] CΛ rf* 00 o o 00 -a rf* 00 H> o vo 00 •-a CΛ m rf* 00 H> o oo vl CΛ rf* LO CO

13 fc fc fc fc fc fc fc fc tr* 61 Ω 61 Ω Ω 61 Ω Ω Ω fc fc fc fc fc to cn cn CQ CQ cn cn cn cn CO tr* tr* tr* tr* tr* tr* tr* cn cn ro cn cn d 13 13 13 13 13 13 13 13 61 i Ω i Ω i Ω i Ω i Ω

G G G G G G G G 13 13 13 to 03 to 03 to to 03 to 03 03 03 03 03 ω 03 03 03 03 ω 03 03 03 to 03 03 03 03 to to to ro t to 03 to 03 to to to 03 to 03

00 00 00 00 oo 00 oo oo 00 oo 00 oo oo oo oo oo oo 00 oo oo 00 oo oo oo oo rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* Φ> rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* Φ- Φ- Φ- Φ- rf_* rf* rf* rf* rf* rf_* rf* rf* rf* rf* rf* rf* rf* rf* rf* cn LΠ rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* 00 00 00 OJ oo H> H H

H> H> H¹ H H> H H> H H H> H> H> H> H H H H H H¹ H H

VD vo o o o o o VD vo o vo o vo VO VD o o O o O o o o o o o o o o o O o o o o o

CO vo H> H o o 03 vo H> o 00 03 o o H rf* 00 00 to to 00 00 00 03 rf* rf* OJ LO

00 to CΛ ω rf* H φ. to H tn o CΛ VD v] 00 O LΠ vl VD in rf* to ^•vl o H CΛ Φ- H vo v] vl 03 CΛ cn o 03 cn vo φ. 00 03 o CΛ H H in VD o 03 in rf* 00 to o o 03 LΠ o CΛ Φ- to LO H

H φ- v] Φ. o cn H φ. rf* va H H> H> 03 0J v] VD v] 0J 03 cn VD tπ CΛ 00 VD LΠ rf* H H 03 CΛ H¹

00 00 oo oo LO oo OJ 00 rf* rf* 00 00 00 OJ LO 00 00 rf* rf* 00 LO OJ 00 00 00 00 00 00 OJ 00 LO

H 00 00 00 rf* φ. in H> o vo VD 00 l cn vl vi vl VD H o VD 00 vl in CΛ rf* in tπ CΛ CΛ on cn 00 a vj vo CΛ o vo rf* 03 03 Φ- v] rf* VD rf* rf* cn vj VD rf* v] CO vl CΛ rf* rf* 03 in 00 H> O 00 φ. VD σ. o CΛ oo CO cn o rf* H> Φ- rf* 00 OJ --a vl rf* cn cn VD O H* 00 rf* on CO cn LO va --a cn rf* Φ- in v] tn CO rf* to -J o rf* LO vj Φ- o rf* v] 03 LΠ --a 00 03 03 rf* o m CO LO 00 cn CO CΛ oo oo CΛ to v] in o LΠ

OJ LO 00 00 CO 00 00 to CO CO CO oo 00 OJ 00 oo 00 oo OJ OJ oo oo oo CO O CO

H CO H> o 03 vo o o o 03 vo cn in cn oo 03 vo H¹ CO H> H H¹ o o o o H o vo 00 v va oo

00 03 oo 00 03 vo 00 rf* CO vo rf* 03 cn o H> rf* vl O 00 03 cn to o to cn 00 v] CO Φ- l CO J φ. 03 LΠ LΠ CΛ vo to LO φ- O 00 00 H 03 O H> LΠ o to oo VD o VD 00 00 CΛ to 03 VD oo vo H LΠ o cn to 00 00 tπ cn tn 03 LO 0J o H> co 00 LΠ 03 03 o v rf* CO

H" H H H H> H H> H H H> H H H H> H> H> H H H¹ H H H H> H H H H H H H H H> H H H H> H> H H H H

O o o o o o o o o o o o o o o o o o O o o O o O o o o o o o o o o o O o o o o o o o o o O o o o o o o o o o o o o o o O o o o o O o o o o o o o o o o O o o o o o o on cn in LΠ LΠ rf* rf* rf* rf* φ. rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* rf* in rf* rf* φ. φ. φ. φ- φ- vo m rf* o CΛ rf* 00 v] vl tn rf* CΛ cn vl rf* cn in cn 03 va vl o 03 0J φ- 00 cn tπ

Φ> rf_* 03 VD 00 03 o 00 rf* CΛ 03 O cn LO v] o 00 v] to vl 00 H> CO oo CΛ 00 o 00 cn o cn in v] CΛ to o en cn cn rf* CO rf* cn cn 00 CO in 00 H cn •-a vo o 00 H CO vl 00 o

x x x x x w x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x x ro ω ro w ω 03 ro ro ro ro ro w ro 03 M ro ro ro ro ro ro o3 ro M W 03 ro ro ro ro ro ro o3 ro ro ro ro o3 ro o3 θ3 D3 w ro w w ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ro ϋs ro ro M ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ro ω ω a d Ω d d Ω Ω Ω d Ω a Ω a Ω Ω Ω d Ω Ω Ω Ω Ω Ω a d Ω d d Ω Ω Ω Ω a d Ω d d Ω

ATOM 5564 CD PRO B 346 98.,352 31.,185 30.,739 1.00 60..37 BBBB C

ATOM 5565 CA PRO B 346 98, ,271 31. .516 33. ,140 1. ,00 60. .55 BBBB C

ATOM 5566 CB PRO B 346 97. ,346 30, ,380 32. .703 1. ,00 59. .00 BBBB C

ATOM 5567 CG PRO B 346 97, ,034 30. ,711 31, ,272 1. ,00 59. .42 BBBB C

ATOM 5568 C PRO B 346 99. ,293 31. ,041 34. ,183 1. 00 61, ,67 BBBB C

ATOM 5569 O PRO B 346 99. ,071 31, .171 35. ,387 1. ,00 60. .23 BBBB O

ATOM 5570 N ASN B 347 100. ,413 30. .498 33. ,711 1. ,00 63. .97 BBBB N

ATOM 5571 CA ASN B 347 101. ,455 29. ,970 34. ,593 1. ,00 64. .31 BBBB C

ATOM 5572 CB ASN B 347 102. ,279 28. ,900 33, ,867 1. 00 64. .32 BBBB C

ATOM 5573 CG ASN B 347 101. .414 27. .898 33. ,124 1, ,00 67. .97 BBBB C

ATOM 5574 ODl ASN B 347 100. .470 27. .335 33. ,685 1, ,00 65. .00 BBBB O

ATOM 5575 ND2 ASN B 347 101. ,738 27. .665 31. ,850 1, ,00 69. .52 BBBB N

ATOM 5576 C ASN B 347 102. ,414 31. .020 35. ,122 1. ,00 64. .56 BBBB C

ATOM 5577 O ASN B 347 103, ,318 30. .703 35. .897 1, ,00 65, .80 BBBB O

ATOM 5578 N VAL B 348 102. .225 32. .265 34. .713 1. ,00 62, .06 BBBB N

ATOM 5579 CA VAL B 348 103. .119 33. .314 35. .153 1. ,00 60. .24 BBBB C

ATOM 5580 CB VAL B 348 102, .827 34, .626 34, ,388 1. ,00 59, .53 BBBB C

ATOM 5581 CGI VAL B 348 101, .486 35. .199 34, .813 1. .00 59, .23 BBBB C

ATOM 5582 CG2 VAL B 348 103. .959 35. .611 34, ,605 1. ,00 58, .35 BBBB c

ATOM 5583 C VAL B 348 103. .083 33. .553 36. .670 1. ,00 59. .88 BBBB c

ATOM 5584 O VAL B 348 102, .014 33, .661 37, .279 1. ,00 60, .66 BBBB 0

ATOM 5585 N LYS B 349 104. .276 33, ,613 37, .262 1. ,00 59, .01 BBBB N

ATOM 5586 CA LYS B 349 104. .471 33, .842 38. .698 1. .00 59, .77 BBBB C

ATOM 5587 CB LYS B 349 104, .769 32. .527 39. .428 1, ,00 59, .95 BBBB C

ATOM 5588 CG LYS B 349 103, .575 31, .650 39, .729 1, .00 62, .14 BBBB c

ATOM 5589 CD LYS B 349 102, ,923 32, .024 41, .045 1. ,00 65, .85 BBBB c

ATOM 5590 CE LYS B 349 101. ,778 31, .074 41, .372 1. ,00 68, .01 BBBB c

ATOM 5591 NZ LYS B 349 101. .191 31, .361 42, ,713 1. .00 70, .59 BBBB N

ATOM 5592 C LYS B 349 105, .679 34 .752 38, .883 1. .00 59 .36 BBBB C

ATOM 5593 O LYS B 349 106, .518 34, .861 37, .991 1, .00 58 .54 BBBB O

ATOM 5594 N LEU B 350 105, .776 35, .392 40. .044 1, .00 58, .28 BBBB N

ATOM 5595 CA LEU B 350 106, .915 36, .257 40, .328 1. .00 57, .73 BBBB C

ATOM 5596 CB LEU B 350 106 .537 37 .354 41 .330 1, .00 58 .01 BBBB C

ATOM 5597 CG LEU B 350 105 .524 38 .441 40 .953 1, .00 58 .22 BBBB C

ATOM 5598 GDI LEU B 350 105 .293 39 .352 42 .159 1, .00 56 .68 BBBB C

ATOM 5599 CD2 LEU B 350 106 .036 39 .232 39 .764 1 .00 55 .12 BBBB C

ATOM 5600 C LEU B 350 108 .036 35 .399 40 .917 1 .00 57 .90 BBBB C

ATOM 5601 O LEU B 350 107 .790 34 .289 41 .397 1, .00 57 .06 BBBB 0

ATOM 5602 N PRO B 351 109 .281 35 .903 40 .886 1, .00 58 .02 BBBB N

ATOM 5603 CD PRO B 351 109 .707 37 .114 40 .165 1 .00 56 .57 BBBB C

ATOM 5604 CA PRO B 351 110 .448 35 .188 41 .415 1 .00 57 .11 BBBB C

ATOM 5605 CB PRO B 351 111 .600 36 .150 41 .130 1 .00 55 .65 BBBB C δ δ fc f fc fc c fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc fc f t-3 δ δ c c i δ c fc fc c fc

Hi H t-3 H δI t δ-3 H Hi δ f

HI t-3 δ fc f f -3 fc fc t-3 t-3 ι-3 H t ι-3 HI H t-3 t-3 t-3 t-3 t-3 H t-3 δ t-3 t-3 H t-3 t-3 H t-3 t-3 H H H H H HI o d d Ω Ω d d d d d d d d d d d d d d d d d d Ω d d d Ω d d d O O O O d d d d d d d

2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 in in in in m LΠ in tπ in LΠ Lπ tn LΠ Lπ in iπ in tπ tπ tπ m LΠ m in tn LΠ in tn in tn in in in in in w in in in in in LΠ σ. cn cn CΛ cn cn n cn CΛ CΛ cn n cn cn cn CΛ cn cn CΛ cn cn CΛ cn rf* rf_* rf_* rf* rf* rf* rf* rf* oo oo oo to to to to to to H o o o o

LΠ rf_* o vo in rf_* to o cn LΠ rf_* oo H o oo cn in rf_* to o cn a d Ω Ω d Ω Ω a d Ω d d Ω Ω Ω g a Ω

Ω Ω 03 c α α Ω 03 to f 9 a d a Ω Ω Ω Ω a Ω Ω Ω a O Ω g d Ω Ω p a d Ω Ω

K GO α Ω ω t ffi N fc fc α Ω to fc Ω

03 to ω 03 to 03 X X 03 03 to 03 to 03 to 03 03 03 03 03 03 03 03 ω 03 03 ro 03 to 03 ω 03 to to ω ω to to 03 to to to oo oo oo oo oo oo oo oo oo oo oo tπ tπ LΠ on LΠ in on in in LΠ in in in LΠ on in in in in in LΠ on in in in in LΠ in in LΠ in in tn in m in LΠ in LΠ iπ in in

CΛ cn cn cn in in LΠ LΠ in in in in rf* rf_* rf* rf* rf* rf* rf_* rf_* rf_* rf_* rf* LO LO H> H>

H H H H H H H H H H H H H H H H H H H H H H o o o o o σ o o vo vo vo o o o o o o o o o o o o o o o o o o o o o o H H> H vo to rf* oo in rf* rf_* oo rf_* oo Lπ φ- cn co co vo o rf* cn on o H in tπ to φ- in o in o oo to vo LΠ rf_* co vo H o CO φ- o tπ o o w oo VD rf_* H in vo oo vo rf_* oo oo oo to oo oo

H> vo co rf_* oo φ. in in tn in on rf_* to oo φ. oo in in o oo o on to rf_* vo en o cn rf_* φ. co co φ. cn oo vo tπ oo o rf* in oo to o to in rf* co vo to oo oo rf_* in o o vo vo rf* oo H vo rf_* en o vo vo o H> cn rf* in to in o vo to rf_* rf_* rf_* φ. φ. rf* rf* rf* rf* rf_* rf_* rf_* rf* rf_* rf_* rf_* rf_* rf_* rf_* rf* rf_* φ. φ. φ. φ. rf_* rf_* rf_* rf* φ- o vo H to to vo cn on rf_* rf_* Φ- Φ- in in in in m m oo to o vo in in vo tn H o o rf_* to to in vo o o cn rf_* o rf_* o o tπ o vo Φ- o o to vo to tπ H o o vo rf* in in vo cn cn cn in o rf_*

H H H> H H H H H H H H H H H> H H H H H H H o o o o o o o o o o o o O o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o m tπ tπ on in tn in in va en in cn cn in cπ in Lπ LΠ in in in in LΠ iπ m in in φ. oo in cn cn vo co m co o in oo o vo in in in H> in rf_* rf_* rf* in in

CΛ o o o to oo en rf* o oo o o m to LΠ to cn H¹ CΛ o to H in H tn in o en cn rf_* tπ rf* to cn vo to oo

a d Ω O Ω Ω a d Ω d d Ω Ω Ω a d Ω a a Ω Ω Ω Ω Ω a o Ω Ω a d Ω a d Ω Ω Ω a d Ω Ω

ATOM 5648 CD PRO B 357 101.,894 41,.710 39.,536 1.,00 53..57 BBBB C

ATOM 5649 CA PRO B 357 99. ,572 42. .013 40. ,148 1. ,00 52. .75 BBBB C

ATOM 5650 CB PRO B 357 100, ,293 43, .348 40. .011 1. ,00 51. .57 BBBB C

ATOM 5651 CG PRO B 357 101. ,720 42, .992 40. .295 1. ,00 55. .82 BBBB C

ATOM 5652 C PRO B 357 98. ,402 41, ,910 39, .192 1. ,00 49, ,71 BBBB C

ATOM 5653 O PRO B 357 98. ,449 41. ,137 38. .235 1. ,00 49. .02 BBBB O

ATOM 5654 N ALA B 358 97, ,351 42. .680 39. ,454 1, ,00 49. .71 BBBB N

ATOM 5655 CA ALA B 358 96. .186 42, .691 38, .572 1. .00 47, .67 BBBB C

ATOM 5656 CB ALA B 358 95, .095 43, .560 39, .151 1. ,00 45. .14 BBBB C

ATOM 5657 C ALA B 358 96. .711 43. .299 37, .285 1. ,00 45, .82 BBBB c

ATOM 5658 O ALA B 358 97. .320 44. .366 37. ,311 1. ,00 47, .28 BBBB 0

ATOM 5659 N LEU B 359 96, .484 42 .636 36, .159 1. .00 45 .59 BBBB N

ATOM 5660 CA LEU B 359 97. .008 43, .154 34. .912 1. .00 45, .72 BBBB C

ATOM 5661 CB LEU B 359 98, .175 42 .273 34, .444 1, .00 45 .20 BBBB C

ATOM 5662 CG LEU B 359 99. .440 42, .201 35, .315 1. .00 46, .25 BBBB C

ATOM 5663 CD1 LEU B 359 100. .353 41, .089 34, .826 1. .00 44, .93 BBBB c

ATOM 5664 CD2 LEU B 359 100. .171 43, .531 35, .275 1. .00 42 .84 BBBB c

ATOM 5665 C LEU B 359 96 . .003 43, .293 33, .785 1. .00 47, .21 BBBB c

ATOM 5666 O LEU B 359 96 . .267 44, .001 32. ,819 1. ,00 46, .49 BBBB 0

ATOM 5667 N PHE B 360 94, .847 42 .650 33, .903 1. .00 47 .40 BBBB N

ATOM 5668 CA PHE B 360 93, .875 42 .711 32, .815 1. .00 51 .45 BBBB C

ATOM 5669 CB PHE B 360 93. .674 41, .314 32, ,237 1. .00 52, .30 BBBB C

ATOM 5670 CG PHE B 360 94. .919 40, .497 32. .235 1. .00 52, .56 BBBB C

ATOM 5671 CD1 PHE B 360 95. .081 39, .454 33. .141 1. .00 51, .52 BBBB C

ATOM 5672 CD2 PHE B 360 95. .967 40, .816 31, ,380 1. .00 50, .59 BBBB c

ATOM 5673 CEl PHE B 360 96, .272 38 .742 33, .201 1. .00 48 .96 BBBB c

ATOM 5674 CE2 PHE B 360 97, .164 40 .108 31, .432 1. .00 50 .59 BBBB c

ATOM 5675 CZ PHE B 360 97. .317 39, .070 32. .346 1. .00 49, .00 BBBB c

ATOM 5676 C PHE B 360 92. .523 43, .309 33. .141 1. .00 53, .04 BBBB c

ATOM 5677 O PHE B 360 91, .600 43, .262 32. .326 1. .00 55. .34 BBBB 0

ATOM 5678 N ASN B 361 92, ,401 43 .871 34, .330 1. .00 54 .62 BBBB N

ATOM 5679 CA ASN B 361 91, .152 44 .478 34, .741 1. .00 55 .16 BBBB C

ATOM 5680 CB ASN B 361 91, .122 44 .536 36, .259 1, .00 55 .52 BBBB C

ATOM 5681 CG ASN B 361 92, .390 45 .128 36, .829 1. .00 56 .61 BBBB c

ATOM 5682 ODl ASN B 361 93, .441 45, .088 36. .190 1. .00 60, .02 BBBB 0

ATOM 5683 ND2 ASN B 361 92, ,308 45 .667 38, .039 1. ,00 54 .30 BBBB N

ATOM 5684 C ASN B 361 91 .044 45 .883 34 .147 1, .00 58 .24 BBBB C

ATOM 5685 O ASN B 361 91, .071 46 .868 34, .885 1. ,00 57 .53 BBBB O

ATOM 5686 N PHE B 362 90, .928 45 . 966 32, .815 1. .00 59 .37 BBBB N

ATOM 5687 CA PHE B 362 90, .817 47 .247 32, .100 1. .00 60 .74 BBBB C

ATOM 5688 CB PHE B 362 91, ,163 47 .084 30, .620 1. ,00 57 .64 BBBB C

ATOM 5689 CG PHE B 362 92 .606 46 .801 30 .360 1, .00 59 .07 BBBB C fc δ f

Hi fc fc ι-3 fc δ H cf fc ι-3 fc fc H fc HI fc fc fc ι-3 fc c fc c f c cf fc fc fc fc fc f f fc fc

Hi δ ι-3 fc H f fc f fc fc c H H H fc H H c ι-3 fc fc fc fc ι-3 HI fc c ι-3 HI fc H d d d d d d d d d d d d d d d d d d d d O d d d d d O O O O O d d d O O o O O O O O

2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 tπ

H

Ir* tr* Lr* Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω H HI ι-3 H t-3 ι-3 t-3 H Hi 13 TJ 13 X 13 13 13

GO o to tr* tr* X tr* tr* t* tr* tr* lr* X lr* tr* ir* X X tr* X tr* ffi ffi ffi ffi ffi ffi ns ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi

G G G G G G G G G G G G a a a a a a a a a X t to X X X X to X t to X to X CO CO CO CO CO CO CO

03 03 to 03 03 to 03 03 03 to 03 ω to ω ω to to to 03 to ω 03 03 03 03 X 03 03 03 X 03 03 03 03 03 03 03 03 03 03 to 03

to vo vo vo vo vo vo oo co oo co oo co co vo vo vo vo o vo o o to to rf_* vo vo vo oo cn rf* cn oo vo vo vo LΠ rf* rf_* vj oo oo oo n cn o oo co H> oo o in oo rf_* rf* oo --a rf_* rf_* o oo to cn Φ- to o rf* rf_* en o o vo oo vo rf* H* H oo rf_* vo tπ H H va o o oo H cn vo rf* rf* in m in LΠ m tn tn in on tπ in in Lπ in ιπ in tπ m m in tπ in in tπ rf_* rf* rf_* rf* rf_* o o o o H LO Φ- -~a en rf_* rf* H o o o σ o o H vo m in rf_* vo o o H in H> rf_* to o vo in H to in to in rf* rf_* to in cn H en on rf_* o rf_* in o o o in o vo vo rf_* rf_* Oo to o in -a cn cn in to o cn vo vo w o o in oo to oo to to co to to to

H o vo o o o o o vo o o H rf* VD vo o o

Lπ in vo rf* o rf* t H> cn tπ m H H in o φ. en

H to o H> cn vo oo to to o to Φ. to o o oo o vo rf_* oo to tπ on tn tπ in rf* tn rf* rf*

cn rf* H> o o tπ oo φ. LΠ o

H H H H H H H H H H H> H H> H o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o cn cn en cn en cn en en cn cn en cn cn tn in in m vo o vo vo Φ- o rf_* H oo cn to vo to rf_* rf* to o on vo vo vo oo o o oo in rf_* en cn o cn o o rf* vo Φ. oo oo rf_* o m to n oo vo o oo rf* o cn cn in oo

to to 03 03 ω to to 03 03 03 to 03 03 ro 03 03 ro ω 03 03 to ω 03 03 ω 03 ro to to to to to 03 03 to ω to 03 03 ω ω ro

03 03 03 03 to ro 03 03 03 03 03 ω 03 03 03 03 ω 03 03 03 03 03 03 03 ro 03 ro 03 03 03 03 03 03 03 03 03 to 03 03 ω to ω 03 03 03 03 03 ω 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 03 to 03 03 ω 03 03 03 03 03 ω 03 03 03 03 03 ro 03 03 03 ω

-o td b0 ro 03 ro ro b3 03 b3 ό3 D3 ro D3 ό3 ro tb 03 ro ro 03 ro ro 03 03 03 ό3 03 ό3 03

Ω Ω a O Ω d d Ω Ω Ω Ω a d Ω a d Ω Ω Ω Ω a d Ω Ω Ω Ω Ω a Ω Ω Ω d Ω Ω a O Ω Ω Ω Ω Ω Ω

ATOM 5732 CG LEU B 367 90.116 48.377 27.415 1.00 70.26 BBBB C

ATOM 5733 CD1 LEU B 367 89.084 48.104 28.495 1.00 71.53 BBBB C

ATOM 5734 CD2 LEU B 367 90.342 47.134 26.570 1.00 70.10 BBBB C

ATOM 5735 C LEU B 367 89.794 51.759 25.522 1.00 71.10 BBBB C

ATOM 5736 O LEU B 367 89.762 51.413 24.343 1.00 72.67 BBBB O

ATOM 5737 N SER B 368 89.334 52.926 25.948 1.00 71.01 BBBB N

ATOM 5738 CA SER B 368 88.724 53.904 25.054 1.00 70.28 BBBB C

ATOM 5739 CB SER B 368 88.572 55.233 25.802 1.00 69.97 BBBB C

ATOM 5740 OG SER B 368 89.797 55.635 26.392 1.00 71.65 BBBB O

ATOM 5741 C SER B 368 89.400 54.156 23.695 1.00 70.28 BBBB C

ATOM 5742 O SER B 368 88.731 54.167 22.657 1.00 72.09 BBBB O

ATOM 5743 N SER B 369 90.715 54.351 23.699 1.00 68.98 BBBB N

ATOM 5744 CA SER B 369 91.450 54.649 22.472 1.00 68.36 BBBB C

ATOM 5745 CB SER B 369 92.925 54.933 22.794 1.00 67.42 BBBB C

ATOM 5746 OG SER B 369 93.580 53.791 23.320 1.00 69.20 BBBB O

ATOM 5747 C SER B 369 91.377 53.617 21.349 1.00 68.63 BBBB C

ATOM 5748 O SER B 369 91.583 53.962 20.185 1.00 69.85 BBBB O

ATOM 5749 N ASN B 370 91.094 52.363 21.685 1.00 67.54 BBBB N

ATOM 5750 CA ASN B 370 91.021 51.303 20.681 1.00 67.12 BBBB C

ATOM 5751 CB ASN B 370 92.438 50.858 20.294 1.00 68.80 BBBB C

ATOM 5752 CG ASN B 370 92.485 50.093 18.979 1.00 71.02 BBBB C

ATOM 5753 ODl ASN B 370 91.692 49.184 18.747 1.00 72.57 BBBB O

ATOM 5754 ND2 ASN B 370 93.433 50.452 18.120 1.00 70.16 BBBB N

ATOM 5755 C ASN B 370 90.267 50.152 21.328 1.00 67.02 BBBB C

ATOM 5756 O ASN B 370 90.849 49.116 21.647 1.00 66.98 BBBB O

ATOM 5757 N PRO B 371 88.951 50.325 21.529 1.00 66.38 BBBB N

ATOM 5758 CD PRO B 371 88.177 51.453 20.982 1.00 66.33 BBBB C

ATOM 5759 CA PRO B 371 88.055 49.342 22.145 1.00 66.02 BBBB C

ATOM 5760 CB PRO B 371 86.682 49.804 21.673 1.00 65.37 BBBB C

ATOM 5761 CG PRO B 371 86.844 51.287 21.662 1.00 66.24 BBBB C

ATOM 5762 C PRO B 371 88.333 47.881 21.795 1.00 65.00 BBBB C

ATOM 5763 O PRO B 371 88.359 47.015 22.674 1.00 63.12 BBBB O

ATOM 5764 N PRO B 372 88.553 47.594 20.504 1.00 64.59 BBBB N

ATOM 5765 CD PRO B 372 88.486 48.523 19.361 1.00 65.97 BBBB C

ATOM 5766 CA PRO B 372 88.824 46.234 20.037 1.00 64.67 BBBB C

ATOM 5767 CB PRO B 372 88.714 46.371 18.524 1.00 65.50 BBBB C

ATOM 5768 CG PRO B 372 89.197 47.747 18.281 1.00 66.15 BBBB C

ATOM 5769 C PRO B 372 90.138 45.592 20.456 1.00 66.22 BBBB C

ATOM 5770 O PRO B 372 90.340 44.400 20.231 1.00 68.85 BBBB O

ATOM 5771 N LEU B 373 91.043 46.357 21.049 1.00 64.76 BBBB N

ATOM 5772 CA LEU B 373 92.309 45.766 21.456 1.00 61.34 BBBB C

ATOM 5773 CB LEU B 373 93.323 46.839 21.854 1.00 60.46 BBBB C δ fc fc c δ δ c f fc

H HI H

O δ d δ d δ δ d δ d d δ d δ δ fc d δ d δ d δ δ d δ d δ d δ f Ω δ δ δ f H i δ δ HI o O δ O δ d d δ δ c d δ d δ H d d δ Ω Ω Ω δ Ω d δ δ d δ d 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 £ d δ 2 £ d d

2 2 2 2 2 £ d

2 2 2 2 2 2 2 2 2 2 2 2 2 2 in m in m co oo -a o o o o o o o o o o vo vo vo vo vo vo vo rf_* o vo en rf_* oo H o tπ rf_* H> o rf* H o vo en rf* a O Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω d Ω Ω d Ω a d Ω Ω Ω d Ω Ω Ω Ω α Ω Ω 03 9 O to a d Ω Ω α Ω Ω Ω

Ω O Ω Ω 03 a f Ω Ω to fc 03 a fc O Ω

H 9 H c

H H

13 H tr* tr* ir* lr* tr* r* X ir* H H ι-3 ι-3 H H fc fc lr* tr* tr* lr* X s lr* tr* lr* t* tr* tr* lr* tr* CO CO GO GO GO CO to GO tr* IT* X tr* tr* tr* tr* tr* ffi ffi if ffi ffi ffi O GO CO GO CO CO CO GO GO CO CO CO G G G G G G G G to CO X to to CO GO to X 1 f to to X to to to 5 fc Ϊ Ϊ 13 G G G G G G

03 03 to ω 03 ω 03 to to 03 to to 03 to to 03 to 03 X 03 03 03 to to X to to to to to 03 to to X X 03 to COto 03 oo oo oo oo oo oo oo oo oo oo oo oo oo

-a ^•-a -a oo oo co en cn cn en en en on rf* rf_* rf* rf* rf_* oo

to vo vo vo vo vo vo vo vo vo vo vo vo vo oo vo vo vo vo co vo vo o o rf_* fr* rf_* rf* tn rf* o o o o o vo o o rf* to cn rf_* rf_* vo cn o o rf* cn rf_* vo vo cn vo o vo to vo o o n H co rf_* -a en o rf_* o o o cn en o rf_* rf* o H o rf* en H en rf* rf* rf_* rf* rf* rf* rf_* rf_* rf_* rf* rf* rf* rf_* rf* rf* rf* oo Φ- rf* rf_* rf_* rf_* rf_* fr_* rf_* rf_* rf* rf* fr* rf* rf* rf_* rf_* o o o H rf* rf_* o H> vo H o o o o H H> rf* rf* rf* o rf_* o o oo rf* o vo o cn H rf_* rf_* rf* o o vo oo rf_* to o o vo vo rf* o rf* cn rf_* cn rf_* rf_* o vo rf* o o rf* o rf* cn o vo H o rf* o to o en vo --a to to to cn vo cn n rf* rf_* o o to vo rf* rf_* rf_* o rf* oo o o rf* rf_* o rf* H cn σ en rf_* oo ιπ o co vo vo rf_* cn vo cn cn o H H vo o rf_* o cn o cn n vo o o rf_* o vo vo to rf_* o o o LΠ

H H H H H H H H o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o rf* m cn in en cn cn en cn cn in to cn rf* rf* vo o LΠ o to H cn rf_* oo vo o rf* o H rf_* o o H oo vo o en cn o co cn rf* w o vo rf* H rf* o o rf_* o m

ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ω ro ω ω ω ω ω ω ω ω ω ro ω ω ω w ro ro ω w ro ro ro ro ro w ω ro ro ω ω w ro ro ro w ro ω ro ω ro w ro ro ro ω ro ro ro w ro ro ro ro ro ro ro ro ro ro w ro ro ro ro ro ro w ro ro ro ro w ro ro ro ro ro w ro os M w ro ro ro ro ro ro ro ro ro w ro ro ro w ro ro ro to ro ro w ro ro ro -d -d ro ro w ro ro w M ro to ro ro w ro ro ro ro a d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω Ω Ω Ω Ω Ω a d Ω Ω O Ω Ω a d Ω Ω Ω a d Ω Ω Ω Ω

ATOM 5816 CD PRO B 379 94.,352 38,.558 29.,271 1.,00 62..35 BBBB C

ATOM 5817 CA PRO B 379 93. ,531 36. ,659 28. ,047 1. ,00 65. .44 BBBB C

ATOM 5818 CB PRO B 379 94. ,669 36, .279 28. .994 1. ,00 63. .72 BBBB c

ATOM 5819 CG PRO B 379 95. ,437 37. ,535 29. ,133 1. 00 63. ,39 BBBB c

ATOM 5820 C PRO B 379 92, ,276 35, ,853 28. ,346 1. ,00 68. ,54 BBBB c

ATOM 5821 O PRO B 379 91. ,401 36. ,294 29. ,097 1. ,00 67, ,47 BBBB 0

ATOM 5822 N PRO B 380 92. ,180 34, ,648 27. .760 1, ,00 72, .38 BBBB N

ATOM 5823 CD PRO B 380 93, ,124 34. ,102 26. ,762 1. ,00 74, .12 BBBB C

ATOM 5824 CA PRO B 380 91, ,039 33, .747 27. ,951 1, ,00 74. .08 BBBB C

ATOM 5825 CB PRO B 380 91. ,459 32, ,501 27. .174 1. ,00 75. ,04 BBBB C

ATOM 5826 CG PRO B 380 92. ,285 33, ,074 26. ,043 1. ,00 74, .10 BBBB C

ATOM 5827 C PRO B 380 90, ,790 33. ,448 29. ,429 1, .00 75. .76 BBBB C

ATOM 5828 O PRO B 380 89, .671 33. ,587 29. .922 1, .00 75. .75 BBBB O

ATOM 5829 N HIS B 381 91. ,857 33. .049 30. .121 1, .00 78. .71 BBBB N

ATOM 5830 CA HIS B 381 91, ,809 32. .701 31. .544 1. .00 80, .84 BBBB C

ATOM 5831 CB HIS B 381 93, .176 32, .167 32. .002 1. .00 79, .76 BBBB C

ATOM 5832 CG HIS B 381 94, .296 33. .150 31. .864 1. .00 77, .98 BBBB C

ATOM 5833 CD2 HIS B 381 95, .277 33, .258 30. .938 1, .00 79, .01 BBBB C

ATOM 5834 NDl HIS B 381 94. .504 34, ,174 32. .762 1. ,00 76. .39 BBBB N

ATOM 5835 CEl HIS B 381 95, .567 34. .868 32. .398 1. ,00 77. .16 BBBB C

ATOM 5836 NE2 HIS B 381 96, .055 34, .332 31. .294 1. ,00 78. .59 BBBB N

ATOM 5837 C HIS B 381 91, .361 33. .832 32. .462 1. .00 82. .74 BBBB C

ATOM 5838 O HIS B 381 91, .289 33. .666 33. .683 1. .00 82. .30 BBBB O

ATOM 5839 N ALA B 382 91, .070 34. .983 31. .870 1. .00 85, .14 BBBB N

ATOM 5840 CA ALA B 382 90, .600 36. .126 32. .633 1, .00 88, .67 BBBB C

ATOM 5841 CB ALA B 382 91, .256 37, .405 32. .125 1, .00 88, .22 BBBB C

ATOM 5842 C ALA B 382 89, .081 36. ,184 32. .448 1. .00 91, .25 BBBB C

ATOM 5843 O ALA B 382 88, .321 35, .878 33, .375 1, .00 91, .26 BBBB O

ATOM 5844 N ARG B 383 88, .646 36, .550 31. .242 1, .00 93, .68 BBBB N

ATOM 5845 CA ARG B 383 87 .222 36, .646 30, .922 1, .00 95 .96 BBBB C

ATOM 5846 CB ARG B 383 87 .033 36, .660 29, .403 1, .00 95, .96 BBBB c

ATOM 5847 CG ARG B 383 87 .604 37 .885 28, .717 1 .00 97 .12 BBBB c

ATOM 5848 CD ARG B 383 87 .780 37 .609 27, .249 1, .00 97 .81 BBBB c

ATOM 5849 NE ARG B 383 88 .730 36 .521 27, .037 1 .00 99 .92 BBBB N

ATOM 5850 CZ ARG B 383 88 .917 35 .903 25, .874 1, .00100 .73 BBBB C

ATOM 5851 NHl ARG B 383 88 .214 36, .258 24, .808 1, .00101, .42 BBBB N

ATOM 5852 NH2 ARG B 383 89 .818 34 .938 25, .768 1 .00100 .71 BBBB N

ATOM 5853 C ARG B 383 86 .437 35 .481 31, .537 1, .00 98 .03 BBBB C

ATOM 5854 0 ARG B 383 85 .515 35 .749 32 .349 1 .00 99 .45 BBBB O

ATOM 5855 OT ARG B 383 86 .761 34 .316 31, .205 1. .00 99 .28 BBBB O

ATOM 5856 CB ASP B 511 124 .446 79 .563 28 .920 1 .00 98 .66 YYYY C

ATOM 5857 CG ASP B 511 122 .996 79 .181 29 .208 1 .00 99 .24 YYYY C ATOM 5858 ODl ASP B 511 122..187 80,,082 29.,532 1..00 98..92 YYYY 0

ATOM 5859 OD2 ASP B 511 122. .663 77, ,981 29, ,112 1. ,00101. .06 YYYY 0

ATOM 5860 C ASP B 511 124. .651 77. ,753 27. ,180 1. ,00 98. .04 YYYY c

ATOM 5861 O ASP B 511 124. .119 78. ,476 26, ,328 1. ,00 97. .10 YYYY 0

ATOM 5862 N ASP B 511 126, ,691 78. .836 28. ,141 1, ,00 97, .20 YYYY N

ATOM 5863 CA ASP B 511 125, .294 78, .376 28. ,430 1. ,00 98, ,06 YYYY c

ATOM 5864 N PRO B 512 124, .693 76, .402 27. .058 1, ,00 98. ,51 YYYY N

ATOM 5865 CD PRO B 512 125. .480 75. .503 27. ,923 1. ,00 99. ,35 YYYY c

ATOM 5866 CA PRO B 512 124. .126 75. .648 25. .921 1, ,00 97. .60 YYYY c

ATOM 5867 CB PRO B 512 124, .739 74, .244 26. ,075 1, ,00 98. .82 YYYY c

ATOM 5868 CG PRO B 512 125. ,968 74. ,469 26. ,926 1. ,00100. .10 YYYY c

ATOM 5869 C PRO B 512 122, .589 75. .593 25. ,893 1. ,00 96. .22 YYYY c

ATOM 5870 O PRO B 512 121. .999 74. ,771 25. ,169 1. ,00 95. ,27 YYYY 0

ATOM 5871 N HIS B 513 121. .956 76. .460 26. ,691 1, ,00 94. .12 YYYY N

ATOM 5872 CA HIS B 513 120. .496 76. ,543 26, ,766 1. ,00 91. .60 YYYY c

ATOM 5873 CB HIS B 513 120. ,048 76, .910 28, ,188 1. ,00 94. ,23 YYYY c

ATOM 5874 CG HIS B 513 118, ,563 76. ,860 28, ,385 1. ,00 98, ,31 YYY c

ATOM 5875 CD2 HIS B 513 117. ,538 77. .079 27. ,525 1. .00100. ,31 YYYY c

ATOM 5876 NDl HIS B 513 117, .983 76. .563 29. ,602 1, ,00100. .76 YYYY N

ATOM 5877 CEl HIS B 513 116. ,667 76. .600 29. .482 1, ,00101. .96 YYYY c

ATOM 5878 NE2 HIS B 513 116, .371 76. .912 28. .230 1. .00102. .49 YYYY N

ATOM 5879 C HIS B 513 120, .006 77, .591 25. .767 1, .00 88, .33 YYYY c

ATOM 5880 O HIS B 513 119. .080 77, .335 24. .986 1. .00 87. .10 YYYY 0

ATOM 5881 N ARG B 514 120, .623 78, .772 25, .804 1. .00 83, .65 YYY N

ATOM 5882 CA ARG B 514 120, .278 79. .831 24. .866 1, ,00 78. .27 YYYY c

ATOM 5883 CB ARG B 514 120, .973 81, .132 25. .252 1, ,00 81, .59 YYYY c

ATOM 5884 CG ARG B 514 120, .327 81, .822 26. .429 1. .00 87, .26 YYYY c

ATOM 5885 CD ARG B 514 121 .134 83 .026 26, .867 1, .00 90, .23 YYY c

ATOM 5886 NE ARG B 514 122, .376 82, .627 27, .522 1. .00 92, .09 YYYY N

ATOM 5887 CZ ARG B 514 123 .226 83 .476 28, .090 1, .00 91, .83 YYY c

ATOM 5888 NHl ARG B 514 122, .969 84, .778 28, .081 1. .00 92, .23 YYYY N

ATOM 5889 NH2 ARG B 514 124 .322 83 .023 28, .683 1, .00 91, .21 YYYY N

ATOM 5890 C ARG B 514 120, .784 79, .355 23, ,517 1, .00 72, .57 YYYY c

ATOM 5891 O ARG B 514 120 .126 79 .522 22, .491 1, .00 69, .00 YYY 0

ATOM 5892 N LEU B 515 121 .963 78 .743 23 .547 1, .00 66 .69 YYYY N

ATOM 5893 CA LEU B 515 122 .598 78 .202 22 .360 1 .00 61 .93 YYY c

ATOM 5894 CB LEU B 515 123 .838 77 .407 22 .765 1 .00 59 .44 YYYY c

ATOM 5895 CG LEU B 515 124 .574 76 .635 21, .672 1, .00 61, .59 YYYY c

ATOM 5896 CD1 LEU B 515 125 .070 77 .594 20 .601 1 .00 63 .30 YYY c

ATOM 5897 CD2 LEU B 515 125 .725 75 .864 22 .295 1 .00 60 .78 YYYY c

ATOM 5898 C LEU B 515 121 .617 77 .298 21 .628 1 .00 60 .84 YYY c

ATOM 5899 O LEU B 515 121 .444 77 .405 20 .413 1, .00 57, .53 YYYY 0 ATOM 5900 N LEU B 516 120..976 76..406 22..373 1,.00 58..23 YYYY N

ATOM 5901 CA LEU B 516 120. .013 75. .498 21, .776 1. .00 59. .84 YYYY c

ATOM 5902 CB LEU B 516 119. ,396 74. .586 22. ,834 1. ,00 60. ,73 YYYY c

ATOM 5903 CG LEU B 516 118. ,298 73, .651 22. ,321 1. ,00 59. ,26 YYY c

ATOM 5904 CD1 LEU B 516 118. ,858 72, .737 21. ,237 1. ,00 55. ,48 YYYY c

ATOM 5905 CD2 LEU B 516 117. .731 72, .852 23. ,488 1. ,00 58. ,25 YYYY c

ATOM 5906 C LEU B 516 118. .923 76. .322 21. .119 1. ,00 60. .62 YYYY c

ATOM 5907 O LEU B 516 118. .631 76. .151 19. .935 1. .00 62, .37 YYYY 0

ATOM 5908 N GLN B 517 118. .326 77, .221 21. .892 1. .00 61. .66 YYYY N

ATOM 5909 CA GLN B 517 117, .274 78, .077 21. .370 1. .00 62, .85 YYYY c

ATOM 5910 CB GLN B 517 116, ,815 79. .056 22. .453 1. .00 65. .96 YYYY c

ATOM 5911 CG GLN B 517 116. ,218 78. .359 23. .682 1, ,00 72. .97 YYYY c

ATOM 5912 CD GLN B 517 115. ,774 79. .330 24. .778 1. ,00 75. .07 YYYY c

ATOM 5913 OEl GLN B 517 116. .595 80. .025 25. .381 1. .00 77. .59 YYYY 0

ATOM 5914 NE2 GLN B 517 114, .469 79, .375 25. .038 1. .00 74. .44 YYYY N

ATOM 5915 C GLN B 517 117. ,720 78. .831 20. .110 1. ,00 61. ,56 YYYY c

ATOM 5916 O GLN B 517 116, ,915 79. .068 19. .212 1, ,00 62. ,01 YYYY 0

ATOM 5917 N GLN B 518 118, ,997 79. .201 20. ,032 1, ,00 60. ,27 YYYY N

ATOM 5918 CA GLN B 518 119. ,506 79. .913 18. ,857 1, .00 57. .45 YYYY c

ATOM 5919 CB GLN B 518 120. ,881 80. .534 19. .130 1. ,00 56. .54 YYYY c

ATOM 5920 CG GLN B 518 120. .861 82. .034 19. .414 1. ,00 56. .81 YYYY c

ATOM 5921 CD GLN B 518 120. .259 82, ,855 18. .279 1. ,00 55. .33 YYYY c

ATOM 5922 OEl GLN B 518 120. .702 82, ,784 17. .128 1. ,00 57. .05 YYY 0

ATOM 5923 NE2 GLN B 518 119, .245 83, .648 18. .606 1. .00 53. .10 YYYY N

ATOM 5924 C GLN B 518 119, .621 78, .971 17. .676 1, .00 58, .14 YYYY c

ATOM 5925 O GLN B 518 119, .167 79, .287 16. .573 1, .00 58, .88 YYYY 0

ATOM 5926 N LEU B 519 120, .237 77, .814 17, .913 1, .00 57, .56 YYYY N

ATOM 5927 CA LEU B 519 120, .416 76, .816 16, .867 1, .00 54, .87 YYYY c

ATOM 5928 CB LEU B 519 121 .131 75, .585 17, .428 1, .00 56, .52 YYYY c

ATOM 5929 CG LEU B 519 122, .555 75, .818 17. .949 1. .00 57, .51 YYYY c

ATOM 5930 CD1 LEU B 519 123, .141 74, .524 18. ,517 1. .00 58, .18 YYYY c

ATOM 5931 CD2 LEU B 519 123, .416 76, .332 16. .816 1, .00 53, .62 YYYY c

ATOM 5932 C LEU B 519 119, .070 76, .415 16, .284 1, .00 53, .69 YYY c

ATOM 5933 O LEU B 519 118 .947 76, .180 15, .081 1, ,00 52, .87 YYYY 0

ATOM 5934 N VAL B 520 118 .059 76, .348 17, .143 1, .00 52, .17 YYYY N

ATOM 5935 CA VAL B 520 116 .717 75, .981 16, .710 1, .00 52, .77 YYYY c

ATOM 5936 CB VAL B 520 115 .777 75. .734 17, .918 1 .00 50 .92 YYYY c

ATOM 5937 CGI VAL B 520 114 .415 75 .279 17. .437 1 .00 51 .65 YYYY c

ATOM 5938 CG2 VAL B 520 116 .364 74 .677 18 .827 1 .00 50 .70 YYYY c

ATOM 5939 C VAL B 520 116 .123 77 .082 15 .837 1 .00 53 .75 YYYY c

ATOM 5940 O VAL B 520 115 .524 76 .805 14 .792 1 .00 56 .95 YYYY 0

ATOM 5941 N LEU B 521 116 .299 78 .331 16. .271 1. .00 54 .36 YYYY N ATOM 5942 CA LEU B 521 115..787 79,.500 15..554 1..00 51,.61 YYYY c

ATOM 5943 CB LEU B 521 115. ,871 80. ,739 16. .446 1. 00 47, ,88 YYYY c

ATOM 5944 CG LEU B 521 114, ,893 80. ,752 17. ,621 1. 00 46, ,08 YYYY c

ATOM 5945 CD1 LEU B 521 115. ,146 81. .940 18. .516 1. ,00 47. ,55 YYYY c

ATOM 5946 CD2 LEU B 521 113. ,488 80. ,796 17. .082 1. 00 45. ,36 YYYY c

ATOM 5947 C LEU B 521 116. .548 79„ -7.42 14, .259 1. ,00 53. .72 YYYY c

ATOM 5948 O LEU B 521 115. .947 79, .982 13, .211 1, ,00 54. .74 YYYY O

ATOM 5949 N SER B 522 117. .872 79. ,673 14, .331 1. ,00 53. .00 YYYY N

ATOM 5950 CA SER B 522 118. .693 79. .880 13, .151 1. ,00 54. .07 YYYY c

ATOM 5951 CB SER B 522 120. .166 79. .967 13, .539 1. ,00 52. .91 YYYY c

ATOM 5952 OG SER B 522 120. .598 78. ,763 14. .138 1. ,00 54. .99 YYYY O

ATOM 5953 C SER B 522 118. .491 78. .730 12, .176 1. ,00 55. .87 YYYY c

ATOM 5954 O SER B 522 118. .638 78. ,902 10. .969 1. ,00 55. .92 YYYY 0

ATOM 5955 N GLY B 523 118. ,139 77. ,562 12. .702 1. ,00 55. .92 YYYY N

ATOM 5956 CA GLY B 523 117. .956 76. ,402 11. .856 1. ,00 52. .11 YYYY c

ATOM 5957 C GLY B 523 119. .297 75. .747 11, .565 1. ,00 52. .66 YYYY c

ATOM 5958 O GLY B 523 119. .621 75. .505 10. .406 1. .00 52, .92 YYYY 0

ATOM 5959 N ASN B 524 120, .082 75, .477 12 .612 1. .00 54, .07 YYYY N

ATOM 5960 CA ASN B 524 121. .398 74, .832 12, .481 1. .00 54. .48 YYYY c

ATOM 5961 CB ASN B 524 122, .535 75. .833 12, .662 1. .00 56, .38 YYYY c

ATOM 5962 CG ASN B 524 122, .578 76, .869 11 .584 1. .00 58, .24 YYYY c

ATOM 5963 ODl ASN B 524 122. .764 76. .556 10. .409 1, .00 60, .84 YYYY 0

ATOM 5964 ND2 ASN B 524 122, .411 78, ,124 11, .974 1, .00 60, .88 YYYY N

ATOM 5965 C ASN B 524 121, .582 73, .774 13 .554 1, .00 56, .29 YYYY c

ATOM 5966 O ASN B 524 122. .716 73. .427 13, .901 1. .00 57, .93 YYYY 0

ATOM 5967 N LEU B 525 120, .479 73. .269 14, .090 1. .00 54, .91 YYYY N

ATOM 5968 CA LEU B 525 120, .565 72, .276 15, .150 1, .00 55, .24 YYYY c

ATOM 5969 CB LEU B 525 119, .162 71, .979 15 .705 1, ,00 53, .33 YYYY c

ATOM 5970 CG LEU B 525 119, .059 70, .980 16 .872 1, .00 49 .93 YYYY c

ATOM 5971 GDI LEU B 525 119 .970 71, .402 18 .020 1, .00 43 .06 YYY c

ATOM 5972 CD2 LEU B 525 117, .606 70, .877 17 .329 1, .00 46, .26 YYYY c

ATOM 5973 C LEU B 525 121 .256 70, .976 14 .720 1, .00 54, .55 YYYY c

ATOM 5974 O LEU B 525 122, .212 70, .525 15, .370 1, .00 53, .36 YYYY 0

ATOM 5975 N ILE B 526 120, .788 70, .386 13 .621 1, .00 52 .76 YYY N

ATOM 5976 CA ILE B 526 121 .341 69 .126 13 .132 1, .00 52 .72 YYYY c

ATOM 5977 CB ILE B 526 120, .452 68, .551 12 .019 1, .00 51 .37 YYYY c

ATOM 5978 CG2 ILE B 526 120 .947 67, .165 11 .617 1, .00 48 .36 YYY c

ATOM 5979 CGI ILE B 526 119 .004 68 .491 12 .517 1 .00 49 .92 YYY c

ATOM 5980 CD1 ILE B 526 118 .008 68 .074 11 .485 1, .00 48 .86 YYY c

ATOM 5981 C ILE B 526 122 .770 69 .268 12 .633 1 .00 53 .69 YYYY c

ATOM 5982 O ILE B 526 123 .592 68 .375 12 .810 1 .00 53 .54 YYYY 0

ATOM 5983 N LYS B 527 123. .046 70, .407 12 .010 1, .00 56 .20 YYYY N ATOM 5984 CA LYS B 527 124.,369 70..744 11.,477 1.,00 57.,85 YYYY c

ATOM 5985 CB LYS B 527 124. .324 72. ,145 10. ,853 1. ,00 60. ,42 YYYY c

ATOM 5986 CG LYS B 527 124. ,544 72. ,222 9. ,350 1. 00 63. 54 YYYY c

ATOM 5987 CD LYS B 527 123, ,947 73. ,515 8. ,772 1. 00 63. ,96 YYYY c

ATOM 5988 CE LYS B 527 122. ,437 73. ,571 9, ,025 1. ,00 63. ,50 YYYY c

ATOM 5989 NZ LYS B 527 121, ,707 74, ,583 8. .216 1. ,00 66. ,10 YYYY N

ATOM 5990 C LYS B 527 125. ,395 70, .754 12. .605 1. ,00 56. ,20 YYYY c

ATOM 5991 O LYS B 527 126. .435 70, .104 12. .529 1. ,00 56. .62 YYYY 0

ATOM 5992 N GLU B 528 125. .081 71. .521 13, ,645 1, ,00 55. .65 YYYY N

ATOM 5993 CA GLU B 528 125, .944 71. .672 14, .800 1. .00 55. .77 YYYY c

ATOM 5994 CB GLU B 528 125. ,423 72, ,810 15. .672 1. ,00 56. ,37 YYYY c

ATOM 5995 CG GLU B 528 126. .281 73. ,113 16. .896 1, ,00 60. .97 YYYY c

ATOM 5996 CD GLU B 528 127. .738 73. .414 16, .550 1, .00 62. .44 YYYY c

ATOM 5997 OEl GLU B 528 127, .988 73. .957 15, .446 1, ,00 63. .55 YYYY 0

ATOM 5998 OE2 GLU B 528 128. .626 73. .121 17, .393 1, .00 63. .38 YYYY 0

ATOM 5999 C GLU B 528 126. ,028 70. ,389 15. .610 1. ,00 55. .28 YYYY c

ATOM 6000 O GLU B 528 127. ,060 70. ,081 16. .214 1. ,00 53. .39 YYYY 0

ATOM 6001 N ALA B 529 124. .939 69. .636 15, .633 1. .00 53. ,70 YYYY N

ATOM 6002 CA ALA B 529 124, .941 68. .386 16, .374 1. .00 55. .16 YYYY c

ATOM 6003 CB ALA B 529 123, .531 67. .821 16, .438 1. ,00 54. .76 YYYY c

ATOM 6004 C ALA B 529 125, .891 67, .400 15, .682 1. ,00 54, .28 YYYY c

ATOM 6005 O ALA B 529 126. .776 66. .819 16, .317 1. ,00 53. ,21 YYYY 0

ATOM 6006 N VAL B 530 125. .712 67. .226 14, .376 1, ,00 54. .57 YYYY N

ATOM 6007 CA VAL B 530 126, .550 66. ,316 13, .604 1. .00 55. .85 YYYY c

ATOM 6008 CB VAL B 530 126, .126 66, .300 12, .123 1. .00 53, .46 YYYY c

ATOM 6009 CGI VAL B 530 127, .108 65, .485 11 .316 1, .00 49, .28 YYYY c

ATOM 6010 CG2 VAL B 530 124 .719 65, .721 11 .991 1, .00 50, .98 YYYY c

ATOM 6011 C VAL B 530 128 .024 66 .703 13 .700 1, .00 57, .94 YYYY c

ATOM 6012 O VAL B 530 128 .901 65 .836 13 .733 1, .00 57, .55 YYYY 0

ATOM 6013 N ARG B 531 128 .289 68, .008 13 .749 1, . 00 60, .05 YYYY N

ATOM 6014 CA ARG B 531 129 .656 68, .504 13 .840 1, .00 62, .63 YYYY c

ATOM 6015 CB ARG B 531 129, .676 70, .035 13, .815 1. ,00 63, ,77 YYYY c

ATOM 6016 CG ARG B 531 131 .076 70, .627 13, .654 1, .00 68, .68 YYYY c

ATOM 6017 CD ARG B 531 131 .100 72, .140 13 .882 1, .00 74, .32 YYYY c

ATOM 6018 NE ARG B 531 130 .755 72 .488 15 .260 1, ,00 77, .43 YYYY N

ATOM 6019 CZ ARG B 531 131 .522 72 .229 16 .318 1, .00 79 .79 YYYY c

ATOM 6020 NHl ARG B 531 132 .694 71 .622 16 .156 1 .00 81 .39 YYYY N

ATOM 6021 NH2 ARG B 531 131 .109 72 .555 17 .543 1 .00 79 .17 YYYY N

ATOM 6022 C ARG B 531 130 .284 68 .001 15 .129 1 .00 63 .15 YYYY c

ATOM 6023 O ARG B 531 131 .325 67 .345 15 .105 1 .00 64 .05 YYYY 0

ATOM 6024 N ARG B 532 129 .640 68 .301 16 .254 1 .00 61 .82 YYYY N

ATOM 6025 CA ARG B 532 130 .136 67 .877 17 .560 1 .00 62 .62 YYYY c δ fc cf fc fc fc fc H H

O δ d δ d δ d d δ δ d d d δ δ d δ d d δ d δ Ω δ Ω d δ δ δ d d δ d d o δ d δ δ Ω δ Ω δ d δ d δ o δ d d δ δ fc fc o δ d o d δ d Ω δ d d δ d δ Ω δ d δ Ω δ 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 £ 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 cn cn cn cn cn cn cn cn cn cn cn o o o o o o o o o o o o o o o n cn cn cn in LΠ Φ. Φ- Φ- Φ- oo oo to cn in H vo o cn LΠ to o vo cn in rf* cn

ffi ffi ffi ffi ffi ffi ffi ffi cn cn ffi ffi ffi ffi ffi ffi ffi ffi ffi in tr* X tr* tr* tr* tr* tr* lr* d d d d d d d GO GO CO to GO GO GO GO X CO GO GO GO GO to ffi ffi ffi ffi ffi ffi ffi X to X to to to X cn cn cn cn cn ro cn G G G G G G G G i Ω Ω i ΩS g Ω % Ω Ω i Ω i Ωs Ω

Si si SI a a a a a ω X to 03 X to to ω to to to 03 ω 03 to to 03 to to to to to 03 ro ω ω 03 to 03 ω

LΠ tn in LΠ LΠ on LΠ oo oo oo

Φ. Φ- oo oo co

H

LO to o vo o oo oo M σ rf* vo n rf_* cn oo rf_* o o o o vo vo o oo vo

LΠ oo vo LΠ vo vo LΠ vo o o o vo o rf* o o vo vo LΠ rf* rf* o vo vo vo oo cn rf* oo vo rf* oo vo rf* rf* -a LΠ vo in LΠ vo o --a rf* o o vo rf* o o to rf* •-a LΠ n rf* cn cn cn CΛ n cn cn cn en en cn cn o rf* in rf* LΠ in tπ rf* rf* rf* rf* rf* to rf* o vo rf* o vo H> o LΠ to o rf* vo co to o vo oo vo rf* vo vo in o o o o rf* rf* vo rf* oo vo o o o o rf* cn rf* vo rf* cn rf* cn oo rf* oo o to to to rf* H o oo cn rf* o rf* rf_* n o vo o rf* on o vo rf* o in on o -a rf* LΠ oo vo cn vo o o rf* rf* rf* rf* cn o rf* LΠ LΠ o o in o rf* rf* o oo oo cn oo rf* o --a cn rf* rf* o cn

o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o σ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o

LΠ rf* rf* rf* oo oo oo oo oo en en cn en en cn o cn rf* o o vo o vo rf* LΠ to o vo cn o o vo rf* rf* o o o rf* oo o o rf* vo to o cn o vo on o rf* vo on in rf* vo oo rf* oo cn oo

Ω d d d d d d d d d Ω d Ω Ω a d Ω a Ω a Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω d Ω a a Ω a Ω Ω Ω

ATOM 6068 O HOH W 9 95.,038 22,.823 11.,031 1.,00 33..56 WWWW 0

ATOM 6069 O HOH 10 111. .298 35, .385 21. ,814 1. ,00 31, .13 WWWW 0

ATOM 6070 O HOH W 11 117, .504 55, .783 29. ,480 1. ,00 28, .05 WWW 0

ATOM 6071 0 HOH 12 105. .757 18. .204 -2. .289 1. .00 40, .91 WWW 0

ATOM 6072 0 HOH 13 97, .093 54, .325 24. .328 1. .00 47, .10 WWWW 0

ATOM 6073 0 HOH 14 116, .152 28, .438 5, .841 1, .00 36 .57 WWWW 0

ATOM 6074 0 HOH 15 103. .137 19, .672 0. .014 1, .00 46, .57 WWWW 0

ATOM 6075 0 HOH W 16 91 . .794 72. .347 25. .344 1. .00 29, .40 WWW 0

ATOM 6076 0 HOH 17 103, ,068 21. .409 -8. ,984 1. .00 52, .48 WWWW 0

ATOM 6077 0 HOH W 18 119, ,248 82. .284 22. .298 1. .00 43, .75 WWW 0

ATOM 6078 0 HOH 19 104. .767 65. .385 35. .739 1. .00 34, ,83 WWWW 0

ATOM 6079 0 HOH 20 112. .123 47. ,961 1. .736 1. .00 39, .08 WWW 0

ATOM 6080 0 HOH 21 90. .671 73, .872 45, .990 1. .00 43, .06 WWWW 0

ATOM 6081 0 HOH W 22 116, .906 25, .875 6, .981 1, .00 39 .46 WWW 0

ATOM 6082 0 HOH 23 97. .968 64, .484 23. .558 1, .00 49. .14 WWWW 0

ATOM 6083 0 HOH W 24 106. .042 22. .445 5, .989 1. .00 29, .63 WWWW 0

ATOM 6084 0 HOH W 25 97. .594 42. .175 28. .344 1. .00 48, .62 WWWW 0

ATOM 6085 0 HOH W 26 113. .039 31. .582 20. .614 1. .00 62, .85 WWWW 0

ATOM 6086 0 HOH W 27 96. .717 20, ,283 12, .824 1. .00 38, .42 WWWW 0

ATOM 6087 0 HOH 28 118, .332 58, .196 28. .006 1. .00 43, .19 WWWW 0

ATOM 6088 0 HOH W 29 95, .942 12, .410 10, .743 1. .00 40, .03 WWWW 0

ATOM 6089 0 HOH W 30 107, .781 16, .435 1, .839 1, .00 47 .19 WWWW 0

ATOM 6090 0 HOH 31 103. .709 20. .110 15. .132 1. .00 29. .91 WWWW 0

ATOM 6091 0 HOH 32 88. .594 21, .458 20. .667 1. .00 86, .75 WWW 0

ATOM 6092 0 HOH W 33 107. ,638 62. .267 29. .847 1. .00 39, .45 WWWW 0

ATOM 6093 0 HOH 34 115. .874 61, .513 25, .078 1, .00 36, .10 WWWW 0

ATOM 6094 0 HOH W 35 125, ,271 50, .553 23, ,730 1, .00 43 .78 WWW 0

ATOM 6095 0 HOH 36 117. .842 33. .930 0. .549 1, .00 51, .09 WWW 0

ATOM 6096 O HOH w 37 96, ,829 42, .655 8, .609 1, .00 47, .98 WWWW 0

ATOM 6097 0 HOH w 38 94, .109 74, .936 43, .837 1, .00 42 .74 WWW 0

ATOM 6098 0 HOH w 39 95. .881 61. .640 61. .301 1, .00 51. .39 WWWW 0

ATOM 6099 0 HOH 40 109. .151 58. .692 74, .716 1, .00 39, .41 WWWW 0

ATOM 6100 0 HOH w 41 103, .505 62. .156 43. .625 1. .00 64. .64 WWWW 0

ATOM 6101 0 HOH 42 125, .584 39. .135 26, .630 1, .00 38, .54 WWWW 0

ATOM 6102 0 HOH 43 104, .282 64, .431 20, .325 1, .00 38 .28 WWWW 0

ATOM 6103 0 HOH w 44 99, .423 21, .381 -6, .365 1, .00 40, .77 WWWW 0

ATOM 6104 0 HOH w 45 123 .965 26, .701 20, .754 1 .00 51 .72 WWW 0

ATOM 6105 0 HOH 46 108 .417 21 .030 9 .021 1 .00 32 .01 WWWW 0

ATOM 6106 0 HOH 47 112 .849 26, .655 21, .685 1 .00 32 .34 WWWW 0

ATOM 6107 0 HOH w 48 119, .269 45. .607 13, ,933 1, .00 59, .13 WWWW 0

ATOM 6108 0 HOH 49 114, .137 73. .961 22. .212 1, .00 55, .03 WWWW 0

ATOM 6109 0 HOH w 50 125 .315 43, .651 20, ,303 1, .00 52 .23 WWWW 0 ATOM 6110 O HOH W 51 114.,740 8.,346 8..415 1.,00 73..47 WWW 0

ATOM 6111 O HOH W 52 114. .556 22. .783 10, .230 1. ,00 44. .78 WWWW 0

ATOM 6112 0 HOH W 53 113, .721 71, ,603 24, .700 1. .00 43, ,42 WWWW 0

ATOM 6113 0 HOH W 54 107, .226 35, .910 24, .579 1. .00 46, .38 WWWW 0

ATOM 6114 0 HOH W 55 115, .116 13, .883 9, .598 1. .00 46, ,91 WWWW 0

ATOM 6115 0 HOH W 56 109 .393 12, .706 26, .242 1. .00 54, .35 WWWW 0

ATOM 6116 0 HOH W 57 114, .170 38, .817 42, .818 1. .00 64, .99 WWWW 0

ATOM 6117 0 HOH W 58 105 .948 63, .552 45, .135 1. .00 49, .78 WWWW 0

ATOM 6118 0 HOH W 59 114, .312 42, .770 42, .890 1. .00 76, .34 WWWW 0

ATOM 6119 0 HOH W 60 100, .234 47 .904 16, .590 1. .00 48, .64 WWWW 0

ATOM 6120 0 HOH W 61 123, ,066 27, .950 4, .131 1. ,00 68, .36 WWWW 0

ATOM 6121 0 HOH W 62 101, .974 46, .193 19, .073 1. .00 44, .15 WWWW 0

ATOM 6122 0 HOH W 63 111, .105 64, .542 1, .854 1. ,00 58. .28 WWW 0

ATOM 6123 0 HOH W 64 104. .689 70, .058 57, .161 1. ,00 57. .08 WWWW 0

ATOM 6124 0 HOH W 65 98, .767 46, .788 35, .680 1. ,00 42, .85 WWWW 0

ATOM 6125 0 HOH W 66 118, .266 16, .715 31, .819 1. .00 45 94 WWWW 0

ATOM 6126 0 HOH W 67 94 .637 77 .828 43 .904 1, .00 54, .62 WWWW 0

ATOM 6127 0 HOH W 68 106, .754 31, .434 21, .200 1, .00 47, .91 WWWW o

ATOM 6128 0 HOH W 69 101 .301 23 .515 -7 .622 1, ,00 79, .67 WWW 0

ATOM 6129 0 HOH w 70 111, .681 36, .072 27, .028 1, .00 63. .21 WWWW 0

ATOM 6130 0 HOH w 71 118 .675 21 .134 27 .496 1, ,00 40. .55 WWW 0

ATOM 6131 0 HOH w 72 115, .491 47, .646 2, .467 1. .00 52, ,18 WWWW 0

ATOM 6132 0 HOH w 73 118, .831 31, ,256 0, .358 1. .00 52, .66 WWWW 0

ATOM 6133 0 HOH w 74 113, .114 65, .910 0, .248 1, .00 77, .18 WWWW 0

ATOM 6134 0 HOH w 75 106, .231 46, ,861 10, .080 1. .00 62, .16 WWWW 0

ATOM 6135 0 HOH w 76 100, .631 13, .521 2, ,096 1. ,00 35, .15 WWW 0

ATOM 6136 0 HOH w 77 118, .566 48. ,625 13. .015 1, ,00 52. .46 WWWW 0

ATOM 6137 0 HOH w 78 103, .719 71, .161 54, .626 1, ,00 62. .12 WWWW 0

ATOM 6138 0 HOH w 79 121. .189 52, .868 35. .838 1, ,00 51. .06 WWWW 0

ATOM 6139 0 HOH w 80 100 .736 30 .796 20, .380 1, .00 60, .39 WWWW 0

ATOM 6140 0 HOH w 81 117, .926 11, .376 6, .724 1, .00 76, .83 WWWW 0

ATOM 6141 0 HOH w 82 119 .721 36 .553 -0, .385 1, .00 64 .64 WWWW 0

ATOM 6142 0 HOH w 83 94, .826 31, .639 15, .496 1, .00 42, .09 WWWW 0

ATOM 6143 0 HOH w 84 114, .802 16, .613 2, .188 1. .00 35, ,43 WWWW 0

ATOM 6144 0 HOH w 85 112 .490 37, .798 22, .778 1, .00 40, .83 WWWW 0

ATOM 6145 0 HOH w 86 120, .076 31, .719 -2, ,092 1, .00 49, .86 WWWW 0

ATOM 6146 0 HOH w 87 102 .013 64 .169 42, .153 1, .00 38, .97 WWWW 0

ATOM 6147 0 HOH w 88 110, .669 38, .254 25. .207 1, .00 44, .75 WWWW 0

ATOM 6148 0 HOH w 89 101 .362 27 .097 14, .730 1. .00 48, .17 WWW 0

ATOM 6149 o HOH w 90 116, .847 59, .665 58, .917 1. .00 65, .41 WWWW 0

ATOM 6150 0 HOH w 91 112 .498 12 .682 10, .339 1. .00 52, .20 WWW 0

ATOM 6151 0 HOH w 92 89 .734 70 .905 35. .980 1. .00 47, .75 WWWW 0 ATOM 6152 O HOH W 93 107..373 52..762 14..916 1..00 47,,43 WWWW O

ATOM 6153 O HOH W 94 103. .349 18, ,609 17. .577 1. ,00 37, .47 WWWW O

ATOM 6154 O HOH W 95 117. .467 37, ,968 0, .669 1. .00 63, .50 WWW O

ATOM 6155 O HOH W 96 98, ,996 15, .165 -19, .239 1, .00 55 .49 WWWW O

ATOM 6156 O HOH W 97 88, ,788 47. .538 13, .382 1. .00 82, .84 WWWW O

ATOM 6157 O HOH W 98 93, .421 26, .588 -5, .195 1. .00 47 .30 WWWW 0

ATOM 6158 O HOH W 99 122, .523 49, .509 46, .327 1, .00 55 .72 WWWW 0

ATOM 6159 O HOH W 100 99. .074 46, .458 39, ,152 1, .00 43, .71 WWWW 0

ATOM 6160 O HOH W 101 120, ,365 35, .257 -11, .151 1. .00 50 .52 WWWW 0

ATOM 6161 O HOH W 102 113, ,598 16. .061 -12, .435 1. .00 47, .98 WWWW 0

ATOM 6162 O HOH W 103 110. .555 25. .736 -7. .907 1. ,00 61, .64 WWW 0

ATOM 6163 O HOH W 104 124. .699 42, .355 15. .535 1. .00 67, .49 WWWW 0

ATOM 6164 0 HOH W 105 117. ,345 43. .444 31. .719 1. .00 44, .31 WWWW 0

ATOM 6165 0 HOH W 106 106. .945 37. .936 26, .790 1. .00 50, .79 WWW 0

ATOM 6166 0 HOH W 107 113. .687 57. .209 14. .158 1. .00 36, ,23 WWWW 0

ATOM 6167 0 HOH W 108 100. .857 35. .907 20. ,756 1. .00 51, .06 WWWW 0

ATOM 6168 0 HOH W 109 119. .254 40. .781 7, .360 1. .00 38, ,22 WWWW 0

ATOM 6169 0 HOH W 110 95. ,297 56. .235 26. ,013 1. .00 50, .58 WWW 0

ATOM 6170 0 HOH W 111 113. ,161 12, .145 27. .750 1. .00 61, .32 WWWW 0

ATOM 6171 0 HOH W 112 124, .643 10. ,485 9. .231 1. .00 49, .44 WWWW 0

ATOM 6172 0 HOH W 113 98, .573 19, ,787 19, .883 1. .00 36, .01 WWW 0

ATOM 6173 0 HOH W 114 101. .430 20. .312 19. .168 1. .00 40, .97 WWWW 0

ATOM 6174 0 HOH W 115 120. .812 8, .679 27, ,909 1, .00 43, .84 WWW 0

ATOM 6175 0 HOH w 116 120. .953 74, .804 5, .722 1. .00 63, .46 WWWW 0

ATOM 6176 0 HOH w 117 111. .889 14. .427 28, .907 1. .00 54, .65 WWWW 0

ATOM 6177 0 HOH w 118 126. .156 54. ,224 13, .992 1. .00 54, .89 WWW 0

ATOM 6178 0 HOH w 119 101. .235 25. .933 17, .906 1. .00 47, .89 WWWW 0

ATOM 6179 0 HOH w 120 93, .096 54, .208 26, .061 1. .00 61, .76 WWWW 0

ATOM 6180 0 HOH w 121 115. .634 27. .473 22, .850 1. ,00 36, .10 WWW 0

ATOM 6181 0 HOH w 122 118, .923 76. .397 7, .708 1. .00 46, .70 WWWW 0

ATOM 6182 0 HOH w 123 92, .936 29, .570 -5, .329 1. .00 55 .69 WWWW 0

ATOM 6183 0 HOH w 124 118. .396 42, .347 29, ,241 1. ,00 51, ,12 WWW 0

ATOM 6184 0 HOH w 125 93, .788 40, .687 36, .880 1. ,00 45, .99 WWWW 0

ATOM 6185 0 HOH w 126 113, .556 28, .863 19, .855 1. ,00 71, .97 WWW 0

ATOM 6186 0 HOH w 127 124, .476 68, .617 33, .504 1. ,00 74, .73 WWWW 0

ATOM 6187 0 HOH w 128 100. .225 50, .310 14. .965 1. ,00 50. .34 WWW o

ATOM 6188 0 HOH w 129 101, .565 15, .991 20. .904 1. ,00 47, .18 WWW 0

ATOM 6189 0 HOH w 130 94, .844 32, .464 18, .388 1. ,00 60, .05 WWWW 0

ATOM 6190 0 HOH w 131 109. .775 26, .588 22. .600 1. ,00 49. .93 WWW 0

ATOM 6191 0 HOH w 132 Ill, .902 45, .942 12, .697 1. ,00 40. .45 WWWW 0

ATOM 6192 0 HOH w 133 118, .203 6, .877 26, .429 1. ,00 67, ,15 WWWW 0

ATOM 6193 0 HOH w 134 111, .779 48, .361 14, .290 1. ,00 48, .18 WWWW 0 t

CΛ CΛ cn cn cn cn cn CΛ CΛ CΛ cn CΛ CΛ CΛ CΛ cn cn CΛ CΛ CΛ CΛ CΛ CΛ CΛ cn CΛ CΛ CΛ en en CΛ cn en cn cn 0-1 cn CΛ

CO CO O CO CO to CO O O CO CO to CO CO CO CO CO CO CO CO CO CO CO to CO CO CO to to to CO CO H H> H> H H H

OJ OJ CO to CO CO CO CO O to CO CO H H M H> H H H H H H o o o O O O O O O o vo VD VD vo vo VO

H O vo 03 vj cn in rf* 00 to H> O VD 00 -J cn in rf_* 00 CO H o VD CO -j CΛ in rf_* OJ to H o vo 03 ^■vl en LΠ rf* d d d d CQ d d d d cn d d d d ω d Ω

00 d LO d d cn d d d Ω d d d d d d d rf* CO H* rf_* 00 CO H> rf_* CO H H> vo CΛ a Ω Ω d d d

Φ- OJ to H> tπ rf_* 00 CO H> CO cn cn CQ CQ CQ cn ro CQ cn cn cn CQ ω cn ro cn CQ ro cn ω o ι-3 t-3 t-3 t-3 t-3 t-3 t-3 ι-3 ffi ffi ffi ffi ffi ffi ffi ffi ffi ffi d d d d d d d d d d d d d d d d d o to to to to f* r_* rf_* rf_* f_* d f φ> Φ. rf_* rf* r Φ. rf_* Φ- Φ- φ. rf_* o t rf_* o X X X rf_* H H H HI HI HI H HI o d d d d d d d

Φ. rf* rf_* r o ffi ffi ffi ffl ffi ffi ffi ffi ffi ffi cn cn CQ CQ cn CQ CQ cn cn ro cn ro cn cn ω cn cn ro CQ cn ι-3 ι-3 H t-3 H t-3 t-3 t-3

H H H H> H> H H> H> H H> a a a a a a a a a a

CΛ σi CΛ CΛ cn o o o o o Λ CΛ CΛ CΛ cn H H H H H H H¹ H> H H o O O O o o o o o o o O o o o rf* rf_* rf* rf_* rf_* 00 00 OJ 00 LO

H H H H H H H> H> H H H¹ H H H H> H H H H H H¹ H H H H H H> H> rf_* LO CO H O VD CO ^■vl cn in

H¹ H> H H H¹ H> H> H¹ H> H" H H H H H

LO VO to VD vo vo O O O O o CO VO VD vo vo O O o VD o VD vo vo vo VD vo vo VD o H" VO H CO VD o VD o VD H CO O H H> H> 00 CO 00 CO VD H> O o o H CO H> VD H CΛ vj en rf* tπ tn en in VD en v] v3 o 0-1 vl 0J 00 φ- H LD cn rf* H> H> 00 CΛ vo vl φ. VO vl VD CO to m rf* o LO v] H CΛ vl to OJ in H v] Φ- en to in CO VD 00 -J o vl φ- rf* O v] tπ VD 00 O φ. cn CΛ va O H> 00 00 CΛ CΛ cn CΛ H in rf* H 03 VD CO LΠ in CΛ -0 oo 00 vl in in in 00 en vo H" rf_* LO CO en oo φ. OJ v] CΛ in oo 00 VD CO 00 in to H 0-1 vl H oo LO v] o tn CO o φ. 0-1 00 H H en cn cn CΛ CΛ v] v] vl v] vl H> H¹ H> H H H vl vl va vl v] v] vl Φ- CΛ 0J Φ- vl 00 H 00 H vo co vo v] 00 in in 00 φ- rf* vl CΛ en m en O 03 O VD VD cn cn ω CΛ en Φ- CΛ in CΛ to tπ H H o 03 φ- 00 φ- vj vl H rf* vl in v] v] to 00 in va CO CO rf* v] 03 03 in VD H CO φ. CΛ OJ O 00 H φ. CO o m vl o oo φ. to 03 oo rf* m 00 O w VD φ. O vo in LΠ CO tπ rf* O CO OJ 00 CO rf* in tn vo VD VD 00 CO o CO VD 03 -J H 00 CΛ cn 00 O 00 H H H> H φ. in vl H cn vo 00 03 in H H o

vo in CO vo CO VD Φ- 03 o 00 CΛ CO H¹ o to CO CO t CO LO CO CO OJ CO H> H H H> H> LO 00 OJ oo oo oo 00 oo H LO 1 1 H 00 H> φ.

00 H H oo CO o vo 03 H> vo rf* rf_* to in rf* v] in rf* in tπ H> oo O oo H CO φ. LO o v] LΠ CO φ. 0J 00 o VD oo rf* rf* CΛ o LO o CO v O -O vo rf* vo H> 00 O vl in 03 v] o in OJ D 03 vo H¹ CO VO H> vo to to o to vo CO rf* Lπ to 00 rf* vo H rf* CO CO cn O v] 00 LO en H CO 03 oo CO in H> H va VD 00 φ. O O rf* 00 φ. H vo vl LO ^■vl CO cn H> 0J 00 VD VD rf* v] o o CΛ in LO Lπ ^■vl vo o H rf* rf* vo OJ Φ- in VD CO H 00 CO rf* 03 v 00 o LO 03 rf*

H H H H> H H H H H H> H> H H H H H H> H H H H H H H H H H H H> H H> H H H H H> H H o o O o o O O O O o o o o o O O o o o o o o o o o o O o O O o o o o o o o o o o O o o O O O O o O o o o o O o o o o o o o o o O o o O O O o o o o o o o

H H H CO CO CO to to rf* rf* rf* rf* rf* ro CD CO CO 00 w rf* rf* rf* tπ 00 vo 03 VD VD 03 03 00 Φ- rf* rf* vl φ. in φ. φ. vj en O H H to H cn O vl rf* to O in o CO CO rf* v] en tπ o o o in H o 03 VD o φ. 00 03 vo O H φ. -J o o

H o 00 o VD vo H> 00 CO vo H vl H O H CΛ CΛ VD H in CO Lπ H on 00 CO ^■vl VD H v] LO o in LO H vl VD H H H vo cn rf* cn O to o 0J rf* VD rf* in CO CΛ vl cn en in LO to in en o in VD oo LO H φ. OJ CΛ φ. vl φ. φ. rf*

CQ Cn cn cn cQ CQ Cn cn cn cn cn cn cn cn ω cn cn cn cn cn

O O O O cn o O O O cn O O O O Cn O O O O CQ O O O a Ω Ω Ω Ω O O O O O O O O O O

Claims

1. A crystal structure comprising a GSK-3 β protein in crystalline form.

2. A crystal structure comprising a GSK-3 β:FRAT-tide complex in crystalline form.

3. A fragment ofthe structure of claim 1 or 2.

4. A ligand binding site ofthe structure of claim 1 or 2.

5. A ligand binding site of claim 4 wherein the binding site is selected from the group consisting of; ATP, sulphate, FRAT-tide.

6. An ATP ligand binding of claim 5 site having a three dimensional configuration as defined by the spatia arrangement ofthe amino acids He 62, Gly 63, Asn 64, Gly 65, Ser 66, Phe 67, Gly 68, Nal 70, Gin 72, Ala 83, Lys 85, Asn 95, Glu 97, Nal 110, Leu 130, Leu 132, Asp 133, Tyr 134, Nal 135, Pro 136, Glu 137, Thr 138, Tyr 140, Arg 141, Asp 181, Lys 183, Gin 185, Asn 186, Leu 188, Cys 199, Asp 200 and Ser 219 of SEQ.I.D. ΝO:2.

7. A sulphate (or phosphoserine) binding site of claim 5 having a three dimensional configuration as define by the spatial arrangement ofthe amino acids Arg 96, Arg 180, Lys 205, Nal 214 of SEQ.I.D.ΝO:2.

8. A FRAT-tide binding site of claim 5 having a three dimensional configuration as defined by the spatial arrangement ofthe amino acids He 228, Phe 229, Val 263, Leu 266, Val 267, He 270, Lys 271, He 281, Tyr 288, Thr 289, Glu 290, Phe 291, Lys 292, Pro 294, Gin 295, He 296 of SEQ.I.D.NO.2.

A FRAT-tide composition in crystalline form having a GSK-3 β binding site which site has a three dimensional configuration as defined by the spatial arrangement ofthe amino acids Leu 516, Val 520, Gly 523, Leu 525, Ile526, Lys 527, Ala 529, Val 530, Arg 532 and Leu 533 of SEQ.I.D.NO:3. 10. An electronic representation ofthe structure of any preceding claim.

1 l.Use of he crystal structure of any one of claims 1 to 9 or the representation of claim 10 in the design or selection of a potential inhibitor and/or activator of GSK-3 β kinase activity.

12. A method for identifying a potential inhibitor and/or activator for GSK-3 β kinase activity which method comprises the steps of; (a) (a) using a three dimensional structure of GSK-3 β protein (or FRAT-tide), ligand binding site or fragment thereof, as defined by the atomic coordinates set forth in Table i;

(b) employing the structure of step (a) to design or select a potential inhibitor and/or activator;

(c) providing a sample of the inhibitor or activator of step (b);

(d) contacting the inhibitor or activator of step (c) with a GSK-3 β polypeptide in the presence of a substrate to determine the ability ofthe inhibitor or activator to inhibit or activate, respectively, GSK-3 β kinase activity.

13. Use ofthe crystal structure of any one of claims 1 to 9 or the representation of claim 10 in the design or selection of a pharmacophore wherein an inhibitor having said pharmacophore is capable of forming at least two, preferably three or greater noncovalent bonds with the amino acids that define a ligand binding site of said GSK-3 β protein.

14. An inhibitor having the pharmacophore identified by the method of claim 13.

15. An inhibitor of claim 14 wherein said inhibitor is capable of binding to a ligand binding site selected from the group of;

ATP, sulphate, phosphoserine, FRAT-tide.

16. Use of an inhibitor or activator of GSK-3 β kinase activity in the manufacture of a medicament for the treatment of a disease or disorder selected from the group consisting of; Type II Diabetes mellitus, obesity, neurodegenerative disorders such as Alzheimer's disease, stroke and mood disorders such as bipolar and unipolar depression, schizophreniacancer, wherem said inhibitor or activator is characterised as having the pharmacophore of claim 14 or 15.

17. A method for treating a human patient afflicted with a disease or disorder selected from the group consisting of;

Type II Diabetes mellitus, obesity, neurodegenerative disorders such as Alzheimer's disease, stroke and mood disorders such as bipolar and unipolar depression, schizophrenia, cancer; which method comprises the step of administrating to said patient a therapeutically effective amount of an inhibitor (or activator) of GSK-3 β kinase activity wherein said inhibitor has the pharmacophore of claim 14 or 15.

18. A method for identifying inhibitors and/or activators of GSK-3 β kinase activity which method comprises the steps of: i) providing the coordinates of a structure as defined in Table 1 and/or Table 5 to a computerized modeling system; ii) identifying compounds which will bind to the structure of step (I); and iii) screening the compounds or analogs identified, or derived therefrom, for kinase inhibitory or activatory activity.

19. Use of an inhibitor as identified in claim 18 in the manufacture of a medicament for the treatment of a disease or disorder selected from the group consisting of;

Type II Diabetes mellitus, obesity, neurodegenerative disorders such as Alzheimer's disease, stroke and mood disorders such as bipolar and unipolar depression, schizophrenia cancer

20. A method for treating a human patient afflicted with a disease or disorder selected from the group consisting of;

Type II Diabetes mellitus, obesity, neurodegenerative disorders such as Alzheimer's disease, stroke and mood disorders such as bipolar and unipolar depression, schizophrenia, (or cancer) which method comprises the step of administrating to said patient a therapeutically effective amount of a GSK-3 β kinase inhibitor identified in the method of claim 18.

21. A computer system configured to generate structures of GSK-3β and/or GSK-3β:FRAT- tide and/or perform rational drug design for GSK-3, particularly GSK-3 β and/or GSK- 3β:FRAT-tide binding chemical entities.

22. A machine readable data carrier having recorded thereon, the atomic coordinates as set forth in Table 1 and/or Table 5.

23. A carrier of claim 22 wherein said carrier is selected from the group consisting of; magnetic storage media such as floppy discs, hard storage media and magnetic tape; optical storage media such as optical discs or CD-ROM; electrical storage media such as RAM and ROM.

24. A computer controlled method for designing a ligand capable of binding to a GSK-3 β binding site of FRAT-tide comprising the steps of: i) providing a model ofthe crystal structure ofthe GSK-3 β binding site of FRAT-tide; ii) analyzing the model to design a ligand which provides the necessary GSK-3 β contact atoms, and iii) determining the effect ofthe ligand on the GSK-3 β binding site domain.

25 . A computer controlled method for designing or selecting a ligand capable of binding to a binding site of comprising the steps of: i) providing a model ofthe crystal structure ofthe GSK-3 binding site of FRAT-tide; ii) analyzing the model to design a ligand which provides the necessary GSK-3 contact atoms, and iii) determining the effect ofthe ligand on the GSK3 binding site domain