Abstract:
A crystal of pantothenate synthetase (PS) has a monoclinic space group P2 1  and unit cell dimensions of a=66.0±0.2 Å, b=78.1±0.2 Å, c=77.1±0.2 Å and β=103.7±0.2°

Description:
FIELD OF THE INVENTION  
         [0001]    The present invention relates to the enzyme pantothenate synthetase, and in particular its crystal structure and the use of this structure in drug discovery.  
         BACKGROUND OF THE INVENTION  
         [0002]    Pantothenic acid (vitamin B 5 ) is found in coenzyme A (CoA; and the acyl carrier protein (ACP), both of which are involved in fatty acid metabolism.  
           [0003]    Pantothenic acid can be synthesised by plants and microorganisms but animals are apparently unable to make the vitamin, and require it in their diet. However, all organisms are able to convert pantothenic acid to its metabolically active form, coenzyme A.  
           [0004]    The pathway for the synthesis of pantothenic acid is shown in FIG. 1. It provides a potential target for the treatment of infectious disease, since inhibitors of the pathway should be damaging to bacteria and fungi but not to human or animal subjects infected by bacteria.  
           [0005]    Of specific interest is pantothenate synthetase (D-pantoate: β-alanine ligase (AMP-forming); EC 6.3.2.1) This enzyme catalyses the condensation between β-alanine and pantoic acid, the final steps in pantothenic acid biosynthesis. Inhibitors (whether competitive, non-competitive, uncompetitive or irreversible) of pantothenate synthetase would be of significant technical and commercial interest.  
           [0006]    Purification of pantothenate synthetase (PS) to homogeneity was achieved by Miyatake et. al, ( J. Biochem.,  79, (1976), 673-678). The enzyme was reported to require stoichiometric amounts of ATP as an energy source which is hydrolysed to AMP and inorganic pyrophosphate. The mechanism of the enzymic reaction involves pantoate adenylate as an intermediate.  
           [0007]    However, until now no one has successfully determined the structure of PS. This has prevented PS inhibitors being developed via structure-based drug design methodologies. Knowledge of the structure of PS would significantly assist the rational design of novel therapeutics based on PS inhibitors.  
         SUMMARY OF THE INVENTION  
         [0008]    The present invention is at least partly based on overcoming several technical hurdles: we have (i) produced PS crystals of suitable quality, including crystals of selenium atom PS derivatives, for performing X-ray diffraction analyses, (ii) collected X-ray diffraction data from the crystals, (iii) determined the three-dimensional structure of PS, and (iv) identified sites on the enzyme which are likely to be involved in the enzymic reaction.  
           [0009]    In a first aspect, the present invention provides a crystal of PS having a monoclinic space group P2 1 , and unit cell dimensions of a=66.0±0.2 Å, b=78.1±0.2 Å, c=77.1±0.2 Å and β=103.7±0.2°. Preferably the PS is a dimer.  
           [0010]    In a second aspect, the invention also provides a crystal of PS having the three dimensional azomic coordinates of Table 1.  
           [0011]    In a third aspect, the invention provides a method for crystallizing a selenium atom PS derivative which comprises producing PS by recombinant production in a bacterial host (e.g.  E.coli ) in the presence of selenomethionine, recovering a selenium atom PS derivative from the host and growing crystals from the recovered selenium atom PS derivative.  
           [0012]    Thus, the selenium atom PS derivative and PS produced by crystallising native PS (see the detailed description below) are provided as crystallised proteins suitable for X-ray diffraction analysis.  
           [0013]    The crystals may be grown by any suitable method, e.g. the hanging drop method.  
           [0014]    In a fourth aspect, the present invention provides a method for identifying a potential inhibitor of PS comprising the steps of:  
           [0015]    a. employing a three-dimensional structure of PS, or at least one sub-domain thereof, to characterise at least one PS active site, the three-dimensional structure being defined by atomic coordinate data according to Table 1; and  
           [0016]    b. identifying the potential inhibitor by designing or selecting a compound for interaction with the active site.  
           [0017]    By “sub-domain” is meant at least one complete element of secondary structure, i.e. an alpha helix or a beta sheet, as described in the detailed description below.  
           [0018]    If more than one PS active site is characterised and a plurality of respective compounds are designed or selected, the potential inhibitor may formed by linking the respective compounds into a larger compound which maintains the relative positions and orientations of the respective compounds at the active sites. The larger compound may be formed as a real molecule or by computer modelling.  
           [0019]    In any event, the determination of the three-dimensional structure of PS provides a basis for the design of new and specific ligands for PS. For example, knowing the three-dimensional structure of PS, computer modelling programs may be used to design different molecules expected to interact with possible or confirmed active sites, such as binding sites or other structural or functional features of PS.  
           [0020]    More specifically, a potential modulator of PS activity can be examined through the use of computer modeling using a docking program such as GRAM, DOCK, or AUTODOCK (see Walters et al.,  Drug Discovery Today , Vol.3, No.4, (1998), 160-178, and Dunbrack et al.,  Folding and Design,  2, (1997), 27-42) to identify potential inhibitors of PS. This procedure can include computer fitting of potential inhibitors to PS to ascertain how well the shape and the chemical structure of the potential inhibitor will bind to the enzyme.  
           [0021]    Also computer-assisted, manual examination of the active site structure of PS may be performed. The use of programs such as GRID (Goodford,  J. Med. Chem.,  28, (1985), 849-857)—a program that determines probable interaction sites between molecules with various functional groups and the enzyme surface—may also be used to analyse the active site to predict partial structures of inhibiting compounds.  
           [0022]    Computer programs can be employed to estimate the attraction, repulsion, and steric hindrance of the two binding partners (e.g. the PS and a potential inhibitor) Generally the tighter the fit, the fewer the steric hindrances, and the greater the attractive forces, the more potent the potential modulator since these properties are consistent with a tighter binding constant. Furthermore, the more specificity in the design of a potential drug, the more likely it is that the drug will not interact with other proteins as well. This will tend to minimise potential side-effects due to unwanted interactions with other proteins.  
           [0023]    Alternatively, step b. may involve selecting the compound by computationally screening a database of compounds for interaction with the active site. For example, a 3-D descriptor for the potential inhibitor may be derived, the descriptor including geometric and functional constraints derived from the architecture and chemical nature of the active site. The descriptor may then be used to interrogate the compound database, a potential inhibitor being a compound that has a good match to the features of the descriptor. In effect, the descriptor is a type of virtual pharmacophore.  
           [0024]    Having designed or selected possible binding partners, these can then be screened for activity. Consequently, the method preferably further comprises the further steps of:  
           [0025]    c. obtaining or synthesising the potential inhibitor; and  
           [0026]    d. contacting the potential inhibitor with PS to determine the ability of the potential inhibitor to interact with PS.  
           [0027]    More preferably, in step d. the potential inhibitor is contacted with PS in the presence of a substrate, and typically a buffer, to determine the ability of said potential inhibitor to inhibit PS. The substrate may be e.g. pantoic acid (or a salt thereof), β-alanine (or a salt thereof), or ATP. So, for example, an assay mixture for PS may be produced which comprises the potential inhibitor, substrate and buffer.  
           [0028]    Instead of, or in addition to, performing e.g. a chemical assay, the method may comprise the further steps of:  
           [0029]    c. obtaining or synthesising said potential inhibitor;  
           [0030]    d. forming a complex of PS and said potential inhibitor; and  
           [0031]    e. analysing said complex by X-ray crystallography to determine the ability of said potential inhibitor to interact with PS. Detailed structural information can then be obtained about the binding of the potential inhibitor to PS, and in the light of this information adjustments can be made to the structure or functionality of the potential inhibitor, e.g. to improve binding to the active site. Steps c. to e. may be repeated and re-repeated as necessary.  
           [0032]    In a fifth aspect, the invention includes a compound which is identified as an inhibitor of PS by the method of the fourth aspect.  
           [0033]    In a sixth aspect, the invention provides a method of analysing a PS-ligand complex comprising the step of employing (i) X-ray crystallographic diffraction data from the PS-ligand complex and (ii) a three-dimensional structure of PS, or at least one sub-domain thereof, to generate a difference Fourier electron density map of the complex, the three-dimensional structure being defined by atomic coordinate data according to Table 1.  
           [0034]    Therefore, PS-ligand complexes can be crystallised and analysed using X-ray diffraction methods, e.g. according to the approach described by Greer et al.,  J. of Medicinal Chemistry , Vol. 37, (1994), 1035-1054, and difference Fourier electron density maps can be calculated based on X-ray diffraction patterns of soaked or co-crystallised PS and the solved structure of uncomplexed PS. These maps can then be used to determine whether and where a particular ligand binds to PS and/or changes the conformation of PS.  
           [0035]    Electron density maps can be calculated using programs such as those from the CCP4 computing package (Collaborative Computational Project 4. The CCP4 Suite: Programs for Protein Crystallography,  Acta Crystallographica , D50, (1994), 760-763.). For map visualisation and model building programs such as “O” (Jones et al.,  Acta Crystallograhy , A47, (1991), 110-119) can be used.  
           [0036]    In a seventh aspect, the present invention provides computer readable media with either (a) atomic coordinate data according to Table 1 recorded thereon, said data defining the three-dimensional structure of PS or at least one sub-domain thereof, or (b) structure factor data for PS recorded thereon, the structure factor data being derivable from the atomic coordinate data of Table 1.  
           [0037]    As used herein, “computer readable media” refers to any media which can be read and accessed directly by a computer. Such media include, but are not limited to: magnetic storage media such as floppy discs, hard disc storage medium and magnetic tape; optical storage media such as optical discs or CD-ROM; electrical storage media such as RAM and ROM; and hybrids of these categories such as magnetic/optical storage media.  
           [0038]    By providing such computer readable media, the atomic coordinate data can be routinely accessed to model PS or a sub-domain thereof. For example, RASMOL (Sayle et al.,  TIBS , Vol. 20, (1995), 374) is a publicly available computer software package which allows access and analysis of atomic coordinate data for structure determination and/or rational drug design.  
           [0039]    On the other hand, structure factor data, which are derivable from atomic coordinate data (see e.g. Blundell et al., in  Protein Crystallography , Academic Press, New York, London and San Francisco, (1976)), are particularly useful for calculating e.g. difference Fourier electron density maps.  
           [0040]    In an eighth aspect, the present invention provides systems, particularly a computer systems, intended to generate structures and/or perform rational drug design for PS or PS ligand complexes, the systems containing either (a) atomic coordinate data according to Table 1, said data defining the three-dimensional structure of PS or at least one sub-domain thereof, or (b) structure factor data for PS, said structure factor data being derivable from the atomic coordinate data of Table 1.  
           [0041]    Examples of such systems are microcomputer workstations available from Silicon Graphics Incorporated and Sun Microsystems running Unix based, Windows NT or IBM OS/2 operating systems.  
           [0042]    As used herein, “a computer system” refers to the hardware means, software means and data storage means used to analyse the atomic coordinate data of the present invention. The minimum hardware means of the computer-based systems of the present invention comprises a central processing unit (CPU), input means, output means and data storage means. Desirably a monitor is provided to visualise structure data. The data storage means may be balm or means for accessing computer readable media of the sixth aspect of the invention. 
       
    
    
     BRIEF DESCRIPTION OF THE DRAWINGS  
       [0043]    [0043]FIG. 1 shows schematically the pathway for the synthesis of pantothenic acid,  
         [0044]    [0044]FIGS. 2 a - c  show the general structure of PS, being respectively (a) a “cartoon” of the dimer, (b) a schematic diagram of the monomer topology with numbering of secondary structures, and (c) a schematic plot of hydrogen bonding patterns between secondary structures,  
         [0045]    [0045]FIG. 3 is a stereo pair of images showing schematically the core of the dimerisation interface, and  
         [0046]    [0046]FIG. 4 shows a Connolly surface generated around the proposed PS active site.  
     
    
     DETAILED DESCRIPTION OF THE INVENTION  
       [0047]    The present invention is founded on the determination of the three dimensional atomic structure of PS.  
         [0048]    The structure is defined in Table 1 which gives atomic coordinate data for PS, which we have crystallised as a dimer, and associated water molecules. In Table 1 “Atom type” refers to the respective element, the first letter defining the element; “X, Y, Z” define, with respect to the crystallographic axes, the atomic position (in Å) of the respective atom; “Occ.” is the occupancy of the atom in the respective position; and “B” is a temperature factor (in Å 2 ) which accounts for movement of the atom around its atomic centre.  
         [0049]    The atomic positions in Table 1 are given to three decimal places. However, for the avoidance of doubt it is hereby mentioned that varying the atomic positions of the atoms of the structure by up is to about 0.2 Å in any direction will result in a structure which is substantially the same as the structure of Table 1 in terms of both its structural characteristics and utility e.g. for structure-based drug design.  
         [0050]    PS Structural Characterization  
         [0051]    We have found that the structure of a PS monomer consists of two major domains, joined at about residue  176  (FIGS. 2 a - c ). Domain N (so called because it contains the N terminal) has an alpha-beta-alpha architecture; six parallel β-strands with 1′-3-2-1-4-5 topology alternate with α-helices to form a Rossman fold with central β-sheet sandwiched between two layers of α-helices (FIG. 2 b ). The helices (α1′, 1, 2, 3 and 4) pack against the β-sheet in a right-handed way. The secondary structural elements have been numbered in FIGS. 2 a  and  b , with elements that are insertions or additions to the “standard” nucleotide-binding Rossman fold (discussed below under “Identification of Likely Active Sites”) denoted by primes. Strand β5 leads directly into the short β-hairpin and 3 10  helix motif (β6, β7 and ε 10 7), which lies at the head of domain C (containing the C terminal) and is likely to be involved in phosphate binding (see below). The rest of the domain has a simple two-layer organisation: a helix-turn-helix layered above a flat sheet of three anti-parallel β-strands (α8 and 9, β10-12). This sheet faces a prominent cleft in domain N, the predicted catalytic region (see below), making the whole structure resemble somewhat a pot (domain N) with its lid (domain C) on a hinge, a common arrangement in two-domain enzymes.  
         [0052]    We have also found that the two monomers, A and B, of PS are related by a non-crystallographic quasi 2-fold rotational symmetry (NCS) axis. The dimerisation interface has a surface area of 1340 Å 2  and the core of the interface is shown in FIG. 3. The centre of the nearly symmetrical dimerisation interface is unusual: below a 2-strand β-sheet (βD from A and B) Val109, Met166 and Phe168 form a hydrophobic pocket around weakly H-bonded polar clusters of Ser135, conserved Asn139 and three water molecules, one of which lies on the NCS axis. Above the β-sheet Tyr108, Asp110 and Arg128 form a tight charged cluster, and the rest of the interface consists of salt bridges (His106 to Asp165; Arg11 to Asp169) and extensive water-mediated H-bonding interactions.  
         [0053]    The average B-factor of monomer B is about 4 Å 2  greater than that of A, which on the whole contains fewer disordered stretches. Also conformational differences between the monomers which can be explained by crystal packing arrangements are found at residues 173-180 and 187-193.  
         [0054]    For residues B187-193, electron density was poor, and the apparent backbone connectivity could not be reconciled with stereochemical and Ramachandran constraints. The loop was eventually modelled using the same residues from monomer A (which are well ordered), and transformed by the operation that superimposes domain C of monomer A onto monomer B. However, it is likely that residues A187-193 are only ordered because the bottom of the dimerisazion region is crystallographically packed tightly against this region and that the disordered seen in B is more realistic for the apo-enzyme in vivo.  
         [0055]    Residues 239-244 also have entirely different but defined backbone conformations in the two monomers, and this difference is not readily explained by crystal packing. However, there appears to be no functional significance in the anomaly.  
         [0056]    Solving the PS Crystal Structure  
         [0057]    To solve the PS crystal structure, molecular replacement was not possible because prior to our determination of the PS structure similarities between the amino acid sequence of  E.coli  PS and that of proteins with known structures were not evident. Therefore, phase information needed to be obtained ab initio.  
         [0058]    The phase problem was first approached by the Multiple Isomorphous Replacement technique, and crystals of PS were soaked with a range of heavy atom salts at a range of concentrations. However, the majority of these conditions resulted in crystal damage.  
         [0059]    Eventually, production of selenomethionine PS (SeMet PS) was attempted, the selenium atoms being introduced into the protein prior to crystallisation by recombinant production of the protein in the presence of L-selenomethionine. This was successfully accomplished and is discussed in more detail below. X-ray analysis was performed on PS and SeMet PS crystals.  
         [0060]    1. Production and Purification of PS  
         [0061]    Native PS  
         [0062]    DNA encoding the PanC gene was engineered into a pUC19 expression sector.  E.coli  cells were Transformed using the plasmid.  
         [0063]    Colonies of transformed cells were inoculated directly, into LB medium containing ampicillin (100 mg/ml) and IPTG (70 mg/ml); induction of expression was continuous. The cultures were shaken (200 rpm on an orbital shaker) overnight at 37° C., when the cells were retrieved by centrifugation of the culture medium and the cell pellet stored frozen a: −80° C.  
         [0064]    Selenomethionine PS  
         [0065]    The same  E.coli  strain was used as for native expression, but the methionine pathway inhibition system (see van Duyrie et al.,  J. Mol. Biol.,  229, (1993), 105-124) was used for selenomethionine incorporation. Cells were grown on a minimal, defined medium (see Table 2) containing selenomethionine as well as six other amino acids, whose presence inhibits the natural pathways for methionine synthesis. A starter culture (100 ml) of the same medium as above, but without selenomethionine or the inhibitory amino acids, was inoculated with transformed cells and grown at 37° C. to log growth phase. 1 ml of this culture was used to inoculate baffled 2/Erlemeyer flasks (250 ml complete medium per flask) which were shaken at 37° C. overnight and harvested as for native protein.  
         [0066]    Purification  
         [0067]    Harvested cells were suspended in 20-40 ml TD buffer (50 mM Tris/HCl pH 7.5+0.1 mM dithiothreitol) sonicated at maximum intensity for 8 times 15 seconds, with 15 second breaks, and cell debris removed by centrifugation (30 minutes, 15000× g).  
         [0068]    The supernatant was stirred at 4° C. while (NH 4 ) 2 SO 4  was added slowly over ca. 15 minutes to a final concentration of 29.1% (w/v); after a further 30 minutes of stirring, precipitated contaminants were re-moved by centrifugation (30 minutes, 15000× g). The solution was dialysed overnight against TD buffer (at least 21).  
         [0069]    The dialysed protein solution was loaded at 4° C. onto an anion exchange column (Pharmacia Q-Sepharose, 16/10) and eluted with TD buffer against a NaCl gradient of 0 to 500 mM in 75 minutes, at a flow rate of 5 ml/min. The protein eluted between 0.21 and 0.24M NaCl. The protein-containing fractions were selected from SDS-PAGE analysis, and concentrated to ca 1 ml.  
         [0070]    The concentrated fractions were loaded at 4° C. onto a size exclusion column (Pharmacia S200HR), and eluted with TD buffer containing NaCl at 500 mM. The fractions containing PS were confirmed by SDS-PAGE analysis. The fractions were pooled and dialysed overnight against TD buffer (at least 21).  
         [0071]    The dialysed protein solution was loaded at room temperature onto an affinity column (Pharmacia Blue Sepharose HiLoad 16/10) and eluted with at least five column volumes of TD buffer containing 10 mM ATP. This effectively eluted all the protein, although this was not monitored directly.  
         [0072]    ATP was removed from the eluant by repeated cycles (at least 5) of concentration (in a stirred cell concentrator (Amicon® Ultrafiltration Cell) under pressure in an N 2  atmosphere) and dilution with TD buffer; ATP content was monitored by the UV spectrum (220-300 nm) of the solution. The protein was finally concentrated (Ultrafree® concentrator) to a concentration of between 20 and 30 mg/ml. At this concentration, the solution could be aliquoted and frozen directly at −80° C. without damage to the protein.  
         [0073]    For the purification of the SeMet protein, some precautions were taken to minimise oxidation of the selenium in the protein. The DTT concentration in all buffers was raised to 5 mM, all buffers were thoroughly purged with N 2  gas before use, and the whole procedure was completed as fast as possible, within two days. The SeMet preparations of PS were subjected to Electrospray Mass Spectrometry (ESMS) to confirm the incorporation of selenomethionine during the expression.  
         [0074]    2. Preparation of Crystals.  
         [0075]    Crystals of PS and SeMet PS were grown using the hanging drop vapour diffusion method. Protein (20 mg/ml) was mixed on a 1:1 ratio with crystallisation solution containing 4-7% (w/w) Polyethylene Glycol 4000 and 50 mM Tris/HCl buffer at pH 8. Crystals formed within 2-4 days at 19° C. Crystallisation of SeMet PS, was performed using a nearly identical protocol, but additionally, 2 mM DTT was added to the crystallisation solution before mixing the drop.  
         [0076]    Crystals ideally have approximate dimensions of 600×200×50 μm. Under non-optimal conditions, crystals grow in clusters and are generally much thinner in the 3 rd  dimension (10-20 μm).  
         [0077]    Crystals of PS were cryo-protected using a protocol of gradual soaking in the cryo-protectant, glycerol. A crystal was placed in 20 ul of crystallisation solution, and the concentration of glycerol is gradually increased to 28% (v/v) in 4% increments.  
         [0078]    3. Structural Determination  
         [0079]    Multi-wavelength data sets were collected from a cryo-cooled crystal of SeMet PS, on beam line X-25 of the NSLS at Brookhaven National Laboratories on Long Island, USA. This is a high-flux station with good intensity and wavelength stability. The presence of selenomethionine in the protein was confirmed independently by electrospray mass spectrometry. Before the experiment, a large number of crystals were extensively screened for highest resolution, low mosaicity and low background scatter.  
         [0080]    Terminal radiation-induced diffraction decay was evident in the first crystal to be exposed, which influenced data collection from the second, final SeMet crystal.  
         [0081]    In addition to the three data sets collected from SeMet crystals, a data set was collected from a large native crystal, which had been established to be nearly isomorphous with the SeMet crystals used. In order to have complete but also high resolution data, the same oscillation range was exposed twice, the first for measuring low resolution data (i.e. short exposures), and the second for the highest resolution possible (long exposures). All data were processed using MOSFLM (Leslie,  Joint CCP 4 and  EESF - EACMB Newsletter on Protein Crystallography , Vol.26, Daresbury Laboratory, UK) and scaled with SCALA (Collaborative Computational Project 4. The CCP4 Suite: Programs for Protein Crystallography,  Acta Cryscallographica , D50, (1994), 760-763).  
         [0082]    The selenium atoms were located using the program SnB (Weeks et al.,  J. of Applied Crystallography,  32, (1999), 120-124) and their positions refined using SHARP (LaFortelle et al.,  Methods in Enzymology,  276, (1997), 472-494 and LaFortelle et al., Maximum Likelihood Refinement in a Graphical environment, with SHARP, in  CCP 4  study week-end: Recent Advances in Phasing , ed. Wilson et al., Daresbury Laboratory, UK). The final model contained 19 selenium sites which were used to provide initial phasing. Solvent flattening and phase extension techniques were used to produce an interpretable electron density map.  
         [0083]    The program O was used for model building. The experimental, solvent flattened electron density map was readily interpretable and secondary structural elements were clearly defined in the electron density bones (calculated with MAPMAN, see Kleywegt et al.,  Acta Crystallographica , D52, (1996b), 826-828). The main chain of one monomer could be traced nearly continuously, using the secondary structure template building functionality in 0, and the selenium atoms identified using SHARP providing guidance for chain-tracing.  
         [0084]    The complete main chain model of monomer A was manually rotated to correspond with the bones of the second monomer (B). Since the relative orientation of the two domains was slightly different in monomer B, it was optimised by rigid body refinement (using REFMAC, see Murshudov et al.,  Acta Crystallographica , D53, (1997), 24-255), keeping separate the two domains (residues 1-176 and 177-283).  
         [0085]    The model was improved by three iterated cycles of restrained and individual isotropic maximum likelihood refinement with REFMAC (40−1.7 Å resolution) together with manual rebuilding in C. σ A -weighted 2F obs −F calc  and F obs −F calc  maps were used (Read,  Acta Crystallographica , A42, (1986), 140-149), the former frequently informative even when contoured at only 0.8-0.9 map standard deviations. For difficult parts of the model, maps and models resulting from simulated annealing in CNS (Brunger et al.,  Acta Crystallographica , D54, (1998), 905-921) were also considered. Ordered water molecules were modelled by automated cycles of water addition and removal by ARP (Perrakis et al.,  Acta Crystallographica , D55, (1999), 1765-1770) and refinement by REFMAC, with a final cycle of refinement with bulk solvent correction using CNS to ensure good geometry.  
         [0086]    The final model consists of 4290 non-hydrogen protein atoms, and 384 water molecules. All residues were modelled, but electron density was poor for C-terminal residues (A283, B282-3), as well as residues B187-193; the B-factors of these residues are high, approaching 80 Å 2 . Residues A251-259, B63-68 and B251-259, though visible, are also not well ordered and have B-factors approaching 60 Å 2 . Two residues (A4 and A273) have alternative conformations, and 12 surface-exposed side chains are disordered and were modelled as the most common rotamer at zero occupancy.  
         [0087]    Table 3 provides model parameters and refinement statistics for a version of the model which is essentially the same as that of Table 1 but contains more water molecules and also two ethanediol molecules and a Tris molecule. Residues B188-192 of this version of the model were reconstructed using BUSTER (Bricogne,  Methods in Enzymology,  276, (1997), 361-423) in its implementation with TNT (Tronrud,  Methods in Enzymology,  277, (1997), 306-319) instead of by the symmetry operation described above under “PS Structural Characterization”. The program DDQ (van den Akker et al.,  Arta Crystallographica , D55, (1999), 206-218) was used to assess local and global accuracy and satisfactory completion of refinement, by considering difference density peaks arising from the final model. σ A -weighted difference maps were calculated in REFMAC, excluding water molecules from the model. Quality of the model and its geometry were assessed by OOPS (Kleywegt et al., OOPS-a-daisy,  CCP 4 /ESF - EACBM Newsletter on Protein Crystallography,  30, (1994), 20-24), PROCHECK (Laskowski et al.,  J. Applied Crystallography,  26, (1993), 283-291) and WHATCHECK (Hooft et al.,  Nature,  381, (1996), 272). No serious deviations from expected values are present, and warnings either correspond to well-defined justifiable features or else poorly-visible features that have high B-factors anyway. There are no Ramachandran outliers, and 92.2% of residues lie in most favoured regions of the plot.  
         [0088]    Identification of Likely Active Sites  
         [0089]    Having solved the PS crystal structure it is now evident that in terms of their C α  coordinates, the ATP-binding domains of (i) class I amino-acid tRNA synthetases (tRS) (i.e. EtRS from  Thermus thermophilus , Nureki et al.,  Science,  267, (1995) 1958-1965; QtRS from  E. coli , Perona et al.,  Biochemistry,  32, (1993) 8758-8771; MtRS from  Thermus aquaticus , Mechulam et al.,  J. of Molecular Biology,  294, (1999), 1287-1297; and YtRS from  Bacillus stearothermophilus , Brick et al.,  J. of Molecular Biology,  208, (1989), 83-98), (ii) phosphopantetheine adenylyltransferase (PPAT) from  E. coli  (Izard et al.,  EMBO Journal,  18, (1999), 2021-2030) and (iii) CTP:glycerol-3-phosphate cytidylyltransferase (CGT) from  B. subtilis  (Weber et al.,  Structure with Folding and Design,  7, (1999), 1113-1124) are structurally similar to domain N of PS.  
         [0090]    More specifically, the particular class of Rossman fold which characterises tRS, CGT and PPAT consists of five β-strands in a central sheet and a cleft between β-strands β1 and β4 at the adenosine-binding site (see FIG. 2 c ). PS also has these features. In addition, in all four cases strand β5 is followed by catalytically important residues which form the KMSKS motif discussed below), and for both PS and tRS strand β5 leads directly into the next domain.  
         [0091]    Furthermore, two sequence motifs, HIGH and KMSKS (Barker et al.,  FEBS Letters,  145, (1982), 191-193), are conserved in tRS proteins and also in the wider superfamily. From mutational studies (First et al., in  Biochemistry,  32, (1993), 13644-13663) these motifs are known to be involved in ATP binding: the HIGH motif binds the adenine portion of ATP (cytidine in CGT) and the KMSKS motif stabilises the β- and γ-phosphate groups. These motifs are also found in PS and correspond respectively to residues 34-37 and 185-189.  
         [0092]    The location of the bound ATP adenine in the structure of QtRS corresponds to within 2 to 3 Å of the positions of the bound nucleotides in YtRS, PPAT and CGT, i.e. in the cleft between strands β1 and β4 of the Rossman fold and against the top of helix α1 (the location of the HIGH motif). When this domain of QtRS is aligned with domain N of PS the HIGH (actually HDGH in PS) residues line up very well and the QtRS-bound ATP fits nearly perfectly into the same cleft in PS. Despite this excellent match, there is a difference in the positions o: the helices ε 10 7 (in PS) and αI (in QtRS) relative to the Rossman domain. This is the location of the KMSKS motif. However, by changing conservatively the φ/φ-angles of residues Val175, Pro176, Ile177 and Met178 which form the PS inter-domain linker main chain, domain C can be rotated sufficiently to align the KMSKS residues with their QtRS counterparts and thus involve them in phosphate binding.  
         [0093]    [0093]FIG. 4 shows a Connolly surface generated around the proposed PS active site. It opens besides the ATP ribose group and the walls are formed by fully conserved residues, which are largely hydrophobic but include some polar groups. The catalytically essential Mg 2+  ion is shown at its most likely position where it is bound to OG Ser188 , OH Tyr71 , O β1   ATP  and O γ1   ATP . This is also the proposed Mg 2+  binding position in PPAT. Slightly more speculatively, the most favourable conformer of pantoate is shown positioned in a cavity where it appears to satisfy the hydrophobic and hydrogen-bonding interactions of the substrate, as well as being suitably positioned for attack on ATP.  
         [0094]    Binding positions for β-alanine may also be proposed, but with less certainty than the binding positions of ATP and pantoate. For example, the β-alanine carboxylate may bind in a conserved, positively charged pocket to Arg123, with Met30, Phe62 and Tyr71 providing a hydrophobic patch to accommodate the two β-alanine methylene groups, and His126 being suitably positioned to deprotonate the NH 3+  group).  
         [0095]    Structure-Based Drug Design  
         [0096]    Determination of the 3D structure of PS provides important information about the likely active sites of PS, particularly when comparisons are made with similar enzymes. This information may then be used for rational design of PS inhibitors, e.g. by computational techniques which identify possible binding ligands for the active sites, by enabling linked-fragment approaches to drug design, and by enabling the identification and location of bound ligands using X-ray crystallographic analysis. These techniques are discussed in more detail below.  
         [0097]    Greer et al. mentioned above describes an iterative approach to ligand design based on repeated sequences of computer modelling, protein-ligand complex formation and X-ray analysis. Thus novel thymidylate synthase inhibitor series were designed de novo by Greer et al., and PS inhibitors may also be designed in the this way. More specifically, using e.g. GRID on the solved 3D structure of PS, a ligand (e.g. a potential inhibitor) for PS may be designed that complements the functionalities of the PS active site(s). The ligand can then be synthesised, formed into a complex with PS, and the complex then analysed by X-ray crystallography to identify the actual position of the bound ligand. The structure and/or functional groups of the ligand can then be adjusted, if necessary, in view of the results of the X-ray analysis, and the synthesis and analysis sequence repeated until an optimised ligand is obtained. Related approaches to structure-based drug design are also discussed in Bohacek et al.,  Medicinal Research Reviews , Vol.16, (1996), 3-50.  
         [0098]    As a result of the determination of the PS 3D structure, more purely computational techniques for rational drag design may also be used to design PS inhibitors (for an overview of these techniques see e.g. Walters et al. mentioned above). For example, automated ligand-receptor docking programs (discussed e.g. by Jones et al. in  Current Opinion in Biotechnology , Vol.6, (1995), 652-656) which require accurate information on the atomic coordinates of target receptors may be used to design potential PS inhibitors.  
         [0099]    Linked-fragment approaches to drug design also require accurate information on the atomic coordinates of target receptors. The basic idea behind these approaches is to determine (computationally or experimentally) the binding locations of plural ligands to a target molecule, and then construct a molecular scaffold to connect the ligands together in such a way that their relative binding positions are preserved. The connected ligands thus form a potential lead compound that can be further refined using e.g. the iterative technique of Greer et al. For a virtual linked-fragment approach see Verlinde et al.,  J. of Computer - Aided Molecular Design,  6, (1992), 131-147, and for NMR and X-ray approaches see Shuker et al.,  Science,  274, (1996), 1531-1534 and Stout et al.,  Structure,  6, (1998), 839-848. The use of these approaches to design PS inhibitors is made possible by the determination of the PS structure.  
         [0100]    Many of the techniques and approaches to structure-based drug design described above rely at some stage on X-ray analysis to identify the binding position of a ligand in a ligand-protein complex. A common way of doing this is to perform X-ray crystallography on the complex, produce a difference Fourier electron density map, and associate a particular pattern of electron density with the ligand. However, in order to produce the map (as explained e.g. by Blundell et al. mentioned above) it is necessary to know beforehand the protein 3D structure (or at least the protein structure factors). Therefore, determination of the PS structure also allows difference Fourier electron density maps of PS-ligand complexes to be produced, which can greatly assist the process of rational drug design.  
         [0101]    The approaches to structure-based drug design described above all require initial identification of possible compounds for interaction with target bio-molecule (in this case PS). Sometimes these compounds are known e.g. from the research literature. However, when they are not, or when novel compounds are wanted, a first stage of the drug design program may involve computer-based in silico screening of compound databases (such as the Cambridge Structural Database) with the aim of identifying compounds which interact with the active site or sites of the target bio-molecule. Screening selection criteria may be based on pharmacokinetic properties such as metabolic stability and toxicity. However, determination of the PS structure allows the architecture and chemical nature of each PS active site to be identified, which in turn allows the geometric and functional constraints of a descriptor for the potential inhibitor to be derived. The descriptor is, therefore, a type of virtual 3-D pharmacophore, which can also be used as selection criteria or filter for database screening.  
         [0102]    While the invention has been described in conjunction with the exemplary embodiments described above, many equivalent modifications and variations will be apparent to those skilled in the art when given this disclosure. Accordingly, the exemplary embodiments of the invention set forth are considered to be illustrative and not limiting. Various changes to the described embodiments may be made without departing from the spirit and scope of the invention.  
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         [0109]    Blundell et al., in  Protein Crystallography , Academy Press, New York, London and San Francisco, (1976).  
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         [0117]    Jones et al.,  Acta Crystallograhy , A47, (1991), 110-119.  
         [0118]    Jones et al. in  Current Opinion in Biotechnology , Vol.6, (1995), 652-656.  
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                                                                                                                                                                                                                                                             TABLE 1                           REMARK Written by O version 6.2.1       REMARK Sun December 19 17:28:32 1999            CRYST1   66.031   78.075   77.126   90.00   103.71   90.00            CRIGX1   1.000000   0.000000   0.000000   0.00000       ORIGX2   0.000000   1.000000   0.000000   0.00000       ORIGX3   0.000000   0.000000   1.000000   0.00000       SCALE1   0.015144   0.000000   0.003694   0.00000       SCALE2   0.000000   0.012808   0.000000   0.00000       SCALE3   0.000000   0.000000   0.013346   0.00000                    Atom                       Atomic       type   X   Y   Z   Occ.   B   No.                    Monomer A            ATOM   1   N   MET A   1   21.480   5.652   9.350   1.00   40.77   7       ATOM   2   CA   MET A   1   22.828   6.214   9.115   1.00   37.51   6       ATOM   3   C   MET A   1   23.471   6.721   10.394   1.00   37.12   6       ATOM   4   O   MET A   1   22.954   7.659   10.999   1.00   37.52   8       ATOM   5   CB   MET A   1   22.777   7.385   8.130   1.00   35.78   6       ATOM   6   CG   MET A   1   24.222   7.748   7.741   1.00   33.60   6       ATOM   7   SD   MET A   1   24.158   8.882   6.335   1.00   30.36   16       ATOM   8   CE   MET A   1   23.874   10.429   7.197   1.00   27.91   6       ATOM   9   N   LEU A   2   24.565   6.125   10.835   1.00   33.76   7       ATOM   10   CA   LEU A   2   25.238   6.573   12.014   1.00   33.24   6       ATOM   11   C   LEU A   2   26.150   7.745   11.696   1.00   32.31   6       ATOM   12   O   LEU A   2   26.856   7.637   10.679   1.00   31.54   8       ATOM   13   CB   LEU A   2   26.138   5.467   12.571   1.00   36.11   6       ATOM   14   CG   LEU A   2   25.578   4.098   12.886   1.00   40.23   6       ATOM   15   CD1   LEU A   2   26.741   3.164   13.253   1.00   39.01   6       ATOM   16   CD2   LEU A   2   24.566   4.121   14.018   1.00   40.87   6       ATOM   17   N   ILE A   3   26.233   8.778   12.481   1.00   30.54   7       ATOM   18   CA   ILE A   3   27.148   9.869   12.303   1.00   30.81   6       ATOM   19   C   ILE A   3   28.090   9.801   13.509   1.00   31.50   6       ATOM   20   O   ILE A   3   27.616   9.918   14.642   1.00   31.89   8       ATOM   21   CB   ILE A   3   26.523   11.280   12.249   1.00   31.52   6       ATOM   22   CG1   ILE A   3   25.579   11.383   11.041   1.00   34.35   6       ATOM   23   CG2   ILE A   3   27.610   12.348   12.227   1.00   33.27   6       ATOM   24   CD1   ILE A   3   24.913   12.769   11.018   1.00   34.98   6       ATOM   25   N   ILE A   4   29.350   9.493   13.296   1.00   26.66   7       ATOM   26   CA   ILE A   4   30.352   9.345   14.340   1.00   27.86   6       ATOM   27   C   ILE A   4   31.314   10.510   14.337   1.00   28.36   6       ATOM   28   O   ILE A   4   31.896   10.956   13.322   1.00   26.38   8       ATOM   29   CB   ILE A   4   31.105   7.998   14.143   1.00   27.57   6       ATOM   30   CG1   ILE A   4   30.125   6.847   13.972   0.50   27.40   6       ATOM   31   CG2   ILE A   4   32.067   7.779   15.312   0.50   26.53   6       ATOM   32   CD1   ILE A   4   29.201   6.526   15.113   0.50   28.00   6       ATOM   33   N   GLU A   5   31.633   11.053   15.537   1.00   25.12   7       ATOM   34   CA   GLU A   5   32.526   12.186   15.655   1.00   28.91   6       ATOM   35   C   GLU A   5   33.843   11.934   16.357   1.00   26.18   6       ATOM   36   O   GLU A   5   34.724   12.779   16.300   1.00   27.45   8       ATOM   37   CB   GLU A   5   31.769   13.303   16.441   1.00   31.10   6       ATOM   38   CG   GLU A   5   30.611   13.871   15.627   1.00   34.62   6       ATOM   39   CD   GLU A   5   29.795   14.929   16.355   1.00   40.38   6       ATOM   40   OE1   GLU A   5   30.263   15.579   17.306   1.00   41.78   8       ATOM   41   OE2   GLU A   5   28.625   15.153   15.971   1.00   43.11   8       ATOM   42   N   THR A   6   33.976   10.823   17.094   1.00   27.41   ?       ATOM   43   CA   THR A   6   35.188   10.587   17.848   1.00   27.21   6       ATOM   44   C   THR A   6   35.969   9.345   17.384   1.00   26.94   6       ATOM   45   O   THR A   6   35.294   8.397   16.960   1.00   25.74   8       ATOM   46   CB   THR A   6   34.867   10.400   19.351   1.00   29.81   6       ATOM   47   OG1   THR A   6   34.175   9.170   19.608   1.00   30.13   8       ATOM   48   CG2   THR A   6   33.967   11.528   19.852   1.00   29.59   6       ATOM   49   N   LEU A   7   37.249   9.359   17.679   1.00   27.76   7       ATOM   50   CA   LEU A   7   38.052   8.175   17.280   1.00   27.99   6       ATOM   51   C   LEU A   7   37.684   6.899   18.006   1.00   29.61   6       ATOM   52   O   LEU A   7   37.546   5.845   17.381   1.00   26.94   8       ATOM   53   CB   LEU A   7   39.526   8.515   17.460   1.00   28.02   6       ATOM   54   CG   LEU A   7   40.011   9.725   16.678   1.00   31.71   6       ATOM   55   CD1   LEU A   7   41.523   9.840   16.799   1.00   34.04   6       ATOM   56   CD2   LEU A   7   39.612   9.641   15.219   1.00   32.76   6       ATOM   57   N   PRO A   8   37.434   6.913   19.313   1.00   30.58   7       ATOM   58   CA   PRO A   8   37.081   5.687   20.013   1.00   29.86   6       ATOM   59   C   PRO A   8   35.814   5.062   19.505   1.00   28.23   6       ATOM   60   O   PRO A   8   35.701   3.845   19.394   1.00   25.90   8       ATOM   61   CB   PRO A   8   37.001   6.107   21.485   1.00   31.83   6       ATOM   62   CG   PRO A   8   37.816   7.345   21.593   1.00   31.44   6       ATOM   63   CD   PRO A   8   37.601   8.053   20.243   1.00   30.62   6       ATOM   64   N   LEU A   9   34.754   5.838   19.239   1.00   27.49   7       ATOM   65   CA   LEU A   9   33.489   5.349   18.746   1.00   28.03   6       ATOM   66   C   LEU A   9   33.625   4.896   17.281   1.00   25.69   6       ATOM   67   O   LEU A   9   32.960   3.907   16.978   1.00   26.00   8       ATOM   68   CB   LEU A   9   32.376   6.393   18.920   1.00   31.67   6       ATOM   69   CG   LEU A   9   32.089   6.741   20.400   1.00   35.64   6       ATOM   70   CD1   LEU A   9   31.037   7.824   20.573   1.00   35.73   6       ATOM   71   CD2   LEU A   9   31.636   5.493   21.154   1.00   37.26   6       ATOM   72   N   LEU A   10   34.532   5.512   16.526   1.00   25.45   7       ATOM   73   CA   LEU A   10   34.763   5.045   15.154   1.00   23.19   6       ATOM   74   C   LEU A   10   35.461   3.678   15.228   1.00   23.87   6       ATOM   75   O   LEU A   10   35.017   2.730   14.592   1.00   23.85   8       ATOM   76   CB   LEU A   10   35.577   6.082   14.350   1.00   21.87   6       ATOM   77   CG   LEU A   10   36.012   5.560   12.953   1.00   22.51   6       ATOM   78   CD1   LEU A   10   34.829   5.397   12.007   1.00   22.75   6       ATOM   79   CD2   LEU A   10   37.072   6.488   12.337   1.00   23.02   6       ATOM   80   N   ARG A   11   36.423   3.571   16.150   1.00   25.14   7       ATOM   81   CA   ARG A   11   37.191   2.304   16.232   1.00   28.37   6       ATOM   82   C   ARG A   11   36.236   1.209   16.642   1.00   29.20   6       ATOM   83   O   ARG A   11   36.288   0.113   16.066   1.00   27.74   8       ATOM   84   CB   ARG A   11   38.399   2.556   17.142   1.00   31.48   6       ATOM   85   CG   ARG A   11   39.141   1.279   17.544   1.00   36.42   6       ATOM   86   CD   ARG A   11   40.384   1.586   18.401   1.00   40.76   6       ATOM   87   NE   ARG A   11   40.948   0.327   18.857   1.00   44.29   7       ATOM   88   CZ   ARG A   11   40.627   −0.524   19.819   1.00   45.48   6       ATOM   89   NH1   ARG A   11   39.610   −0.297   20.644   1.00   47.34   7       ATOM   90   NH2   ARG A   11   41.306   −1.656   20.008   1.00   45.04   7       ATOM   91   N   GLN A   12   35.347   1.474   17.591   1.00   26.32   7       ATOM   92   CA   GLN A   12   34.364   0.453   17.968   1.00   28.52   6       ATOM   93   C   GLN A   12   33.550   −0.050   16.798   1.00   27.48   6       ATOM   94   O   GLN A   12   33.340   −1.248   16.579   1.00   25.61   8       ATOM   95   CB   GLN A   12   33.450   1.032   19.051   1.00   30.81   6       ATOM   96   CG   GLN A   12   32.364   0.022   19.483   1.00   34.43   6       ATOM   97   CD   GLN A   12   31.513   0.662   20.570   1.00   37.80   6       ATOM   98   OE1   GLN A   12   31.804   0.354   21.743   1.00   43.75   8       ATOM   99   NE2   GLN A   12   30.545   1.495   20.293   1.00   38.11   7       ATOM   100   N   GLN A   13   32.938   0.879   16.025   1.00   25.56   7       ATOM   101   CA   GLN A   13   32.110   0.497   14.901   1.00   24.82   6       ATOM   102   C   GLN A   13   32.889   −0.235   13.804   1.00   23.46   6       ATOM   103   O   GLN A   13   32.360   −1.209   13.326   1.00   24.23   8       ATOM   104   CB   GLN A   13   31.427   1.706   14.213   1.00   28.90   6       ATOM   105   CG   GLN A   13   30.471   2.397   15.154   1.00   34.73   6       ATOM   106   CD   GLN A   13   29.201   1.611   15.405   1.00   37.69   6       ATOM   107   OE1   GLN A   13   28.697   0.913   14.519   1.00   40.12   8       ATOM   108   NE2   GLN A   13   28.765   1.760   16.646   1.00   39.64   7       ATOM   109   N   ILE A   14   34.075   0.258   13.493   1.00   21.48   7       ATOM   110   CA   ILE A   14   34.904   −0.413   12.482   1.00   23.36   6       ATOM   111   C   ILE A   14   35.252   −1.833   12.978   1.00   23.78   6       ATOM   112   O   ILE A   14   35.100   −2.754   12.163   1.00   24.98   8       ATOM   113   CB   ILE A   14   36.157   0.388   12.154   1.00   24.05   6       ATOM   114   CG1   ILE A   14   35.752   1.756   11.492   1.00   23.68   6       ATOM   115   CG2   ILE A   14   37.152   −0.372   11.258   1.00   23.44   6       ATOM   116   CD1   ILE A   14   34.981   1.571   10.185   1.00   22.33   6       ATOM   117   N   ARG A   15   35.691   −1.946   14.210   1.00   24.68   7       ATOM   118   CA   ARG A   15   36.062   −3.331   14.658   1.00   24.36   6       ATOM   119   C   ARG A   15   34.868   −4.230   14.500   1.00   24.62   6       ATOM   120   O   ARG A   15   34.925   −5.358   13.991   1.00   26.61   8       ATOM   121   CB   ARG A   15   36.618   −3.304   16.087   1.00   24.77   6       ATOM   122   CG   ARG A   15   38.037   −2.760   16.169   1.00   29.78   6       ATOM   123   CD   ARG A   15   38.488   −2.556   17.609   1.00   31.54   6       ATOM   124   NE   ARG A   15   38.632   −3.872   18.241   1.00   34.58   7       ATOM   125   CZ   ARG A   15   39.603   −4.741   17.996   1.00   36.36   6       ATOM   126   NH1   ARG A   15   40.588   −4.484   17.142   1.00   37.87   7       ATOM   127   NH2   ARG A   15   39.609   −5.896   18.638   1.00   37.41   7       ATOM   128   N   ARG A   16   33.681   −3.788   14.925   1.00   23.16   7       ATOM   129   CA   ARG A   16   32.495   −4.643   14.843   1.00   24.97   6       ATOM   130   C   ARG A   16   32.091   −5.007   13.453   1.00   26.58   6       ATOM   131   O   ARG A   16   31.688   −6.112   13.134   1.00   25.54   8       ATOM   132   CB   ARG A   16   31.335   −3.905   15.565   1.00   26.81   6       ATOM   133   CG   ARG A   16   31.739   −3.858   17.037   1.00   30.82   6       ATOM   134   CD   ARG A   16   30.609   −3.393   17.953   1.00   35.27   6       ATOM   135   NE   ARG A   16   31.145   −3.440   19.331   1.00   38.72   7       ATOM   136   CZ   ARG A   16   30.380   −3.407   20.431   1.00   41.50   6       ATOM   137   NH1   ARG A   16   29.057   −3.350   20.279   1.00   41.64   7       ATOM   138   NH2   ARG A   16   30.986   −3.478   21.616   1.00   40.81   7       ATOM   139   N   LEU A   17   32.236   −4.016   12.503   1.00   25.60   7       ATOM   140   CA   LEU A   17   31.869   −4.342   11.148   1.00   25.51   6       ATOM   141   C   LEU A   17   32.796   −5.382   10.547   1.00   25.77   6       ATOM   142   O   LEU A   17   32.287   −6.296   9.882   1.00   27.72   8       ATOM   143   CB   LEU A   17   31.929   −3.067   10.251   1.00   26.53   6       ATOM   144   CG   LEU A   17   30.763   −2.131   10.574   1.00   28.03   6       ATOM   145   CD1   LEU A   17   31.127   −0.707   10.125   1.00   29.84   6       ATOM   146   CD2   LEU A   17   29.455   −2.554   9.941   1.00   30.48   6       ATOM   147   N   ARG A   18   34.062   −5.187   10.811   1.00   25.72   7       ATOM   148   CA   ARG A   18   35.021   −6.172   10.278   1.00   26.50   6       ATOM   149   C   ARG A   18   34.894   −7.544   10.989   1.00   27.79   6       ATOM   150   O   ARG A   18   34.993   −8.564   10.329   1.00   26.32   8       ATOM   151   CB   ARG A   18   36.436   −5.665   10.405   1.00   28.86   6       ATOM   152   CG   ARG A   18   36.506   −4.291   9.685   1.00   31.17   6       ATOM   153   CD   ARG A   18   37.972   −4.010   9.471   1.00   36.04   6       ATOM   154   NE   ARG A   18   38.502   −4.834   8.364   1.00   39.73   7       ATOM   155   CZ   ARG A   18   39.788   −5.197   8.409   1.00   41.34   6       ATOM   156   NH1   ARG A   18   40.523   −4.806   9.456   1.00   42.67   7       ATOM   157   NH2   ARG A   18   40.324   −5.921   7.432   1.00   41.84   7       ATOM   158   N   MET A   19   34.537   −7.458   12.259   1.00   25.78   7       ATOM   159   CA   MET A   19   34.344   −8.735   13.010   1.00   27.53   6       ATOM   160   C   MET A   19   33.230   −9.524   12.371   1.00   26.64   6       ATOM   161   O   MET A   19   33.236   −10.747   12.181   1.00   25.81   8       ATOM   162   CB   MET A   19   34.097   −8.377   14.473   1.00   24.76   6       ATOM   163   CG   MET A   19   33.680   −9.547   15.350   1.00   26.07   6       ATOM   164   SD   MET A   19   31.960   −10.075   15.286   1.00   24.59   16       ATOM   165   CE   MET A   19   31.123   −8.581   15.796   1.00   28.15   6       ATOM   166   N   GLU A   20   32.202   −8.844   11.855   1.00   28.38   7       ATOM   167   CA   GLU A   20   31.083   −9.471   11.156   1.00   28.35   6       ATOM   168   C   GLU A   20   31.345   −9.875   9.720   1.00   31.76   6       ATOM   169   O   GLU A   20   30.395   −10.362   9.077   1.00   32.53   8       ATOM   170   CB   GLU A   20   29.874   −8.502   11.103   1.00   30.90   6       ATOM   171   CG   GLU A   20   29.474   −8.103   12.493   1.00   31.14   6       ATOM   172   N   GLY A   21   32.531   −9.676   9.217   1.00   29.46   7       ATOM   173   CA   GLY A   21   32.968   −10.045   7.901   1.00   30.44   6       ATOM   174   C   GLY A   21   32.503   −9.016   6.844   1.00   28.10   6       ATOM   175   O   GLY A   21   32.465   −9.457   5.705   1.00   30.38   8       ATOM   176   N   LYS A   22   32.195   −7.815   7.269   1.00   27.01   7       ATOM   177   CA   LYS A   22   31.684   −6.909   6.184   1.00   26.80   6       ATOM   178   C   LYS A   22   32.855   −6.293   5.441   1.00   26.41   6       ATOM   179   O   LYS A   22   33.844   −5.944   6.097   1.00   27.41   8       ATOM   180   CB   LYS A   22   30.773   −5.883   6.825   1.00   27.50   6       ATOM   181   CG   LYS A   22   29.392   −6.529   7.152   1.00   32.21   6       ATOM   182   CD   LYS A   22   28.721   −5.570   8.118   1.00   37.87   6       ATOM   183   CE   LYS A   22   27.207   −5.752   8.159   1.00   42.38   6       ATOM   184   NZ   LYS A   22   26.574   −4.400   8.447   1.00   46.00   7       ATOM   185   N   ARG A   23   32.737   −6.159   4.128   1.00   26.60   ?       ATOM   186   CA   ARG A   23   33.781   −5.503   3.325   1.00   27.62   6       ATOM   187   C   ARG A   23   33.468   −4.008   3.350   1.00   25.54   6       ATOM   188   O   ARG A   23   32.293   −3.677   3.209   1.00   25.62   8       ATOM   189   CB   ARG A   23   33.784   −6.101   1.934   1.00   31.46   6       ATOM   190   CG   ARG A   23   34.506   −5.433   0.801   1.00   39.27   6       ATOM   191   CD   ARG A   23   34.206   −5.965   −0.610   1.00   43.15   6       ATOM   192   NE   ARG A   23   35.366   −5.731   −1.466   1.00   45.63   7       ATOM   193   CZ   ARG A   23   36.577   −6.268   −1.262   1.00   46.18   6       ATOM   194   NH1   ARG A   23   36.841   −7.101   −0.272   1.00   47.31   7       ATOM   195   NH2   ARG A   23   37.537   −5.954   −2.117   1.00   48.28   7       ATOM   196   N   VAL A   24   34.412   −3.165   3.697   1.00   23.62   7       ATOM   197   CA   VAL A   24   34.196   −1.743   3.900   1.00   22.06   6       ATOM   198   C   VAL A   24   34.785   −0.891   2.782   1.00   17.49   6       ATOM   199   O   VAL A   24   35.924   −1.166   2.392   1.00   18.13   8       ATOM   200   CB   VAL A   24   34.830   −1.279   5.218   1.00   22.91   6       ATOM   201   CG1   VAL A   24   34.677   0.198   5.452   1.00   24.86   6       ATOM   202   CG2   VAL A   24   34.173   −2.010   6.405   1.00   24.10   6       ATOM   203   N   ALA A   25   34.023   0.099   2.315   1.00   17.82   ?       ATOM   204   CA   ALA A   25   34.597   0.939   1.279   1.00   18.16   6       ATOM   205   C   ALA A   25   34.593   2.272   2.004   1.00   18.48   6       ATOM   206   O   ALA A   25   33.673   2.667   2.768   1.00   22.08   8       ATOM   207   CB   ALA A   25   33.863   1.032   −0.030   1.00   20.30   6       ATOM   208   N   LEU A   26   35.579   3.142   1.726   1.00   16.71   ?       ATOM   209   CA   LEU A   26   35.791   4.438   2.266   1.00   16.65   6       ATOM   210   C   LEU A   26   35.819   5.507   1.152   1.00   17.57   6       ATOM   211   O   LEU A   26   36.497   5.321   0.146   1.00   18.90   8       ATOM   212   CB   LEU A   26   37.120   4.628   3.038   1.00   18.22   6       ATOM   213   CG   LEU A   26   37.458   6.066   3.461   1.00   18.69   6       ATOM   214   CD1   LEU A   26   36.500   6.657   4.511   1.00   20.43   6       ATOM   215   CD2   LEU A   26   38.887   6.061   4.006   1.00   20.45   6       ATOM   216   N   VAL A   27   35.065   6.569   1.318   1.00   16.54   7       ATOM   217   CA   VAL A   27   35.028   7.712   0.418   1.00   16.69   6       ATOM   218   C   VAL A   27   35.493   8.915   1.208   1.00   15.96   6       ATOM   219   O   VAL A   27   34.643   9.495   1.891   1.00   17.62   8       ATOM   220   CB   VAL A   27   33.636   8.038   −0.196   1.00   18.00   6       ATOM   221   CG1   VAL A   27   33.738   9.238   −1.157   1.00   21.63   6       ATOM   222   CG2   VAL A   27   33.057   6.801   −0.869   1.00   20.05   6       ATOM   223   N   PRO A   28   36.728   9.403   1.100   1.00   18.63   7       ATOM   224   CA   PRO A   28   37.265   10.543   1.776   1.00   19.42   6       ATOM   225   C   PRO A   28   36.814   11.864   1.198   1.00   20.36   6       ATOM   226   O   PRO A   28   36.941   11.994   −0.024   1.00   21.38   8       ATOM   227   CB   PRO A   23   38.775   10.466   1.589   1.00   23.04   6       ATOM   228   CG   PRO A   28   39.036   9.147   0.945   1.00   23.71   6       ATOM   229   CD   PRO A   28   37.765   8.641   0.309   1.00   19.69   6       ATOM   230   N   THR A   29   36.209   12.765   1.957   1.00   20.05   7       ATOM   231   CA   THR A   29   35.752   14.046   1.426   1.00   20.41   6       ATOM   232   C   THR A   29   36.036   15.159   2.439   1.00   18.55   6       ATOM   233   O   THR A   29   36.271   14.922   3.618   1.00   19.34   8       ATOM   234   CB   THR A   29   34.254   14.069   1.053   1.00   21.16   6       ATOM   235   OG1   THR A   29   33.512   14.439   2.242   1.00   19.82   8       ATOM   236   CG2   THR A   29   33.658   12.762   0.537   1.00   20.33   6       ATOM   237   N   MET A   30   35.897   16.391   2.003   1.00   20.47   7       ATOM   238   CA   MET A   30   35.998   17.616   2.811   1.00   20.82   6       ATOM   239   C   MET A   30   34.587   18.281   2.815   1.00   23.33   6       ATOM   240   O   MET A   30   34.465   19.488   3.115   1.00   23.42   8       ATOM   241   CB   MET A   30   37.065   18.623   2.375   1.00   21.06   6       ATOM   242   CG   MET A   30   38.446   17.925   2.357   1.00   21.02   6       ATOM   243   SD   MET A   30   39.740   19.108   2.816   1.00   24.24   16       ATOM   244   CE   MET A   30   39.431   20.461   1.687   1.00   26.95   6       ATOM   245   N   GLY A   31   33.576   17.477   2.616   1.00   21.21   7       ATOM   246   CA   GLY A   31   32.189   17.985   2.705   1.00   24.38   6       ATOM   247   C   GLY A   31   31.835   18.946   1.563   1.00   24.71   6       ATOM   248   O   GLY A   31   32.498   18.909   0.524   1.00   22.94   8       ATOM   249   N   ASN A   32   30.712   19.650   1.637   1.00   24.08   7       ATOM   250   CA   ASN A   32   30.269   20.550   0.552   1.00   22.88   6       ATOM   251   C   ASN A   32   29.995   19.636   −0.655   1.00   22.70   6       ATOM   252   O   ASN A   32   30.519   19.801   −1.762   1.00   25.35   8       ATOM   253   CB   ASN A   32   31.269   21.654   0.253   1.00   27.38   6       ATOM   254   CG   ASN A   32   30.612   22.708   −0.658   1.00   31.01   6       ATOM   255   OD1   ASN A   32   29.390   22.842   −0.531   1.00   33.26   8       ATOM   256   ND2   ASN A   32   31.392   23.283   −1.538   1.00   31.51   7       ATOM   257   N   LEU A   33   29.250   18.551   −0.428   1.00   22.17   7       ATOM   258   CA   LEU A   33   29.111   17.438   −1.343   1.00   20.92   6       ATOM   259   C   LEU A   33   28.300   17.796   −2.594   1.00   23.49   6       ATOM   260   O   LEU A   33   27.325   18.519   −2.397   1.00   25.06   8       ATOM   261   CB   LEU A   33   28.479   16.200   −0.668   1.00   21.06   6       ATOM   262   CG   LEU A   33   29.372   15.713   0.501   1.00   21.76   6       ATOM   263   CD1   LEU A   33   28.821   14.431   1.108   1.00   24.92   6       ATOM   264   CD2   LEU A   33   30.834   15.495   0.073   1.00   21.13   6       ATOM   265   N   HIS A   34   28.691   17.217   −3.706   1.00   21.31   7       ATOM   266   CA   HIS A   34   27.929   17.454   −4.953   1.00   19.68   6       ATOM   267   C   HIS A   34   27.793   16.165   −5.698   1.00   21.69   6       ATOM   268   O   HIS A   34   28.073   15.035   −5.218   1.00   21.01   8       ATOM   269   CB   HIS A   34   28.648   18.575   −5.722   1.00   20.00   6       ATOM   270   CG   HIS A   34   30.062   18.267   −6.078   1.00   23.69   6       ATOM   271   ND1   HIS A   34   30.449   17.170   −6.770   1.00   26.07   7       ATOM   272   CD2   HIS A   34   31.211   18.953   −5.778   1.00   26.19   6       ATOM   273   CE1   HIS A   34   31.776   17.161   −6.890   1.00   27.03   6       ATOM   274   NE2   HIS A   34   32.262   18.221   −6.296   1.00   27.65   7       ATOM   275   N   ASP A   35   27.277   16.218   −6.957   1.00   20.96   7       ATOM   276   CA   ASP A   35   26.992   15.008   −7.685   1.00   21.21   6       ATOM   277   C   ASP A   35   28.213   14.132   −7.962   1.00   20.16   6       ATOM   278   O   ASP A   35   28.006   12.921   −8.079   1.00   22.17   8       ATOM   279   CB   ASP A   35   26.386   15.393   −9.061   1.00   23.09   6       ATOM   280   CG   ASP A   35   24.959   15.842   −8.957   1.00   26.28   6       ATOM   281   OD1   ASP A   35   24.273   15.662   −7.929   1.00   27.10   8       ATOM   282   OD2   ASP A   35   24.439   16.326   −10.018   1.00   25.60   8       ATOM   283   N   GLY A   36   29.375   14.766   −8.056   1.00   21.98   7       ATOM   284   CA   GLY A   36   30.620   14.030   −8.244   1.00   21.77   6       ATOM   285   C   GLY A   36   30.786   13.041   −7.065   1.00   22.77   6       ATOM   286   O   GLY A   36   31.157   11.870   −7.245   1.00   22.33   8       ATOM   287   N   HIS A   37   30.620   13.573   −5.849   1.00   22.48   7       ATOM   288   CA   HIS A   37   30.753   12.759   −4.642   1.00   19.90   6       ATOM   289   C   HIS A   37   29.688   11.715   −4.564   1.00   20.48   6       ATOM   290   O   HIS A   37   29.886   10.568   −4.111   1.00   20.51   8       ATOM   291   CB   HIS A   37   30.659   13.645   −3.371   1.00   20.77   6       ATOM   292   CG   HIS A   37   31.604   14.773   −3.310   1.00   23.28   6       ATOM   293   ND1   HIS A   37   32.947   14.667   −2.929   1.00   28.53   7       ATOM   294   CD2   HIS A   37   31.407   16.089   −3.544   1.00   19.82   6       ATOM   295   CE1   HIS A   37   33.536   15.843   −2.870   1.00   23.53   6       ATOM   296   NE2   HIS A   37   32.585   16.736   −3.250   1.00   26.84   7       ATOM   297   N   MET A   38   28.469   11.976   −5.080   1.00   19.18   7       ATOM   298   CA   MET A   38   27.409   10.961   −5.035   1.00   19.76   6       ATOM   299   C   MET A   38   27.795   9.798   −5.955   1.00   22.39   6       ATOM   300   O   MET A   38   27.476   8.670   −5.614   1.00   21.94   8       ATOM   301   CB   MET A   38   26.038   11.520   −5.422   1.00   23.14   6       ATOM   302   CG   MET A   38   25.482   12.594   −4.447   1.00   25.87   6       ATOM   303   SD   MET A   38   25.332   11.996   −2.726   1.00   28.93   16       ATOM   304   CE   MET A   38   26.690   12.846   −1.980   1.00   25.74   6       ATOM   305   N   LYS A   39   28.493   10.034   −7.069   1.00   19.54   7       ATOM   306   CA   LYS A   39   28.943   8.945   −7.921   1.00   21.23   6       ATOM   307   C   LYS A   39   29.995   8.090   −7.205   1.00   19.48   6       ATOM   308   O   LYS A   39   29.947   6.878   −7.283   1.00   19.63   8       ATOM   309   CB   LYS A   39   29.524   9.474   −9.236   1.00   23.04   6       ATOM   310   CG   LYS A   39   29.977   8.354   −10.200   1.00   23.73   6       ATOM   311   CD   LYS A   39   28.831   7.464   −10.663   1.00   29.69   6       ATOM   312   CE   LYS A   39   29.392   6.340   −11.576   1.00   32.23   6       ATOM   313   NZ   LYS A   39   28.207   5.549   −12.095   1.00   35.95   7       ATOM   314   N   LEU A   40   30.869   8.716   −6.387   1.00   18.59   7       ATOM   315   CA   LEU A   40   31.829   7.935   −5.587   1.00   19.30   6       ATOM   316   C   LEU A   40   31.065   7.001   −4.652   1.00   17.32   6       ATOM   317   O   LEU A   40   31.433   5.818   −4.467   1.00   19.58   8       ATOM   318   CB   LEU A   40   32.725   8.865   −4.822   1.00   20.84   6       ATOM   319   CG   LEU A   40   33.577   9.868   −5.641   1.00   21.98   6       ATOM   320   CD1   LEU A   40   34.510   10.649   −4.714   1.00   19.78   6       ATOM   321   CD2   LEU A   40   34.368   9.211   −6.759   1.00   22.47   6       ATOM   322   N   VAL A   41   30.079   7.532   −3.957   1.00   19.06   7       ATOM   323   CA   VAL A   41   29.260   6.732   −3.016   1.00   18.09   6       ATOM   324   C   VAL A   41   28.598   5.614   −3.736   1.00   17.62   6       ATOM   325   O   VAL A   41   28.537   4.470   −3.258   1.00   19.88   8       ATOM   326   CB   VAL A   41   28.253   7.674   −2.265   1.00   20.51   6       ATOM   327   CG1   VAL A   41   27.211   6.841   −1.514   1.00   21.02   6       ATOM   328   CG2   VAL A   41   29.010   8.629   −1.336   1.00   19.99   6       ATOM   329   N   ASP A   42   28.010   5.882   −4.952   1.00   18.32   7       ATOM   330   CA   ASP A   42   27.355   4.768   −5.614   1.00   20.18   6       ATOM   331   C   ASP A   42   28.312   3.653   −5.995   1.00   20.77   6       ATOM   332   O   ASP A   42   27.977   2.483   −5.943   1.00   22.32   8       ATOM   333   CB   ASP A   42   26.667   5.238   −6.920   1.00   22.54   6       ATOM   334   CG   ASP A   42   25.531   6.164   −6.652   1.00   24.06   6       ATOM   335   OD1   ASP A   42   24.908   6.188   −5.570   1.00   27.49   8       ATOM   336   OD2   ASP A   42   25.140   6.976   −7.558   1.00   30.83   8       ATOM   337   N   GLU A   43   29.539   4.041   −6.419   1.00   20.92   7       ATOM   338   CA   GLU A   43   30.528   3.015   −6.753   1.00   22.39   6       ATOM   339   C   GLU A   43   30.924   2.224   −5.512   1.00   21.74   6       ATOM   340   O   GLU A   43   31.185   1.036   −5.623   1.00   23.66   8       ATOM   341   CB   GLU A   43   31.816   3.583   −7.342   1.00   23.36   6       ATOM   342   CG   GLU A   43   31.560   4.030   −8.792   1.00   32.68   6       ATOM   343   CD   GLU A   43   31.450   2.806   −9.705   1.00   34.94   6       ATOM   344   OE1   GLU A   43   32.113   1.776   −9.517   1.00   39.24   8       ATOM   345   OE2   GLU A   43   30.590   2.908   −10.606   1.00   42.50   8       ATOM   346   N   ALA A   44   31.103   2.914   −4.372   1.00   21.59   7       ATOM   347   CA   ALA A   44   31.413   2.228   −3.131   1.00   20.24   6       ATOM   348   C   ALA A   44   30.241   1.299   −2.736   1.00   22.05   6       ATOM   349   O   ALA A   44   30.575   0.162   −2.324   1.00   23.77   8       ATOM   350   CB   ALA A   44   31.698   3.226   −2.025   1.00   19.63   6       ATOM   351   N   LYS A   45   29.033   1.800   −2.843   1.00   24.11   7       ATOM   352   CA   LYS A   45   27.888   0.912   −2.499   1.00   26.00   6       ATOM   353   C   LYS A   45   27.912   −0.215   −3.471   1.00   27.19   6       ATOM   354   O   LYS A   45   27.573   −1.297   −2.970   1.00   28.01   8       ATOM   355   CB   LYS A   45   26.550   1.612   −2.555   1.00   28.17   6       ATOM   356   CG   LYS A   45   26.331   2.723   −1.544   1.00   33.53   6       ATOM   357   CD   LYS A   45   25.613   2.271   −0.277   1.00   40.20   6       ATOM   358   CE   LYS A   45   24.365   1.437   −0.586   1.00   42.16   6       ATOM   359   NZ   LYS A   45   23.332   1.467   0.475   1.00   47.05   7       ATOM   360   N   ALA A   46   28.221   −0.250   −4.714   1.00   25.90   7       ATOM   361   CA   ALA A   46   28.227   −1.457   −5.529   1.00   26.79   6       ATOM   362   C   ALA A   46   29.360   −2.424   −5.183   1.00   29.75   6       ATOM   363   O   ALA A   46   29.233   −3.661   −5.395   1.00   28.75   8       ATOM   364   CB   ALA A   46   28.360   −1.038   −6.984   1.00   28.50   6       ATOM   365   N   ARG A   47   30.492   −1.922   −4.680   1.00   26.27   7       ATOM   366   CA   ARG A   47   31.649   −2.782   −4.511   1.00   25.06   6       ATOM   367   C   ARG A   47   31.816   −3.283   −3.103   1.00   25.85   6       ATOM   368   O   ARG A   47   32.669   −4.158   −2.954   1.00   29.00   8       ATOM   369   CB   ARG A   47   32.921   −1.993   −4.921   1.00   26.64   6       ATOM   370   CG   ARG A   47   32.973   −1.664   −6.407   1.00   30.45   6       ATOM   371   CD   ARG A   47   34.079   −0.626   −6.688   1.00   30.96   6       ATOM   372   NE   ARG A   47   33.831   −0.063   −8.068   1.00   36.09   7       ATOM   373   CZ   ARG A   47   34.612   −0.526   −9.051   1.00   37.23   6       ATOM   374   NH1   ARG A   47   35.552   −1.422   −8.779   1.00   37.53   7       ATOM   375   NH2   ARG A   47   34.458   −0.076   −10.277   1.00   38.83   7       ATOM   376   N   ALA A   48   31.118   −2.729   −2.117   1.00   23.59   7       ATOM   377   CA   ALA A   48   31.382   −3.211   −0.762   1.00   23.32   6       ATOM   378   C   ALA A   48   30.099   −3.421   0.008   1.00   23.85   6       ATOM   379   O   ALA A   48   29.048   −2.891   −0.355   1.00   26.50   8       ATOM   380   CB   ALA A   48   32.316   −2.196   −0.069   1.00   24.37   6       ATOM   381   N   ASP A   49   30.163   −4.115   1.146   1.00   22.20   7       ATOM   382   CA   ASP A   49   28.925   −4.271   1.916   1.00   26.00   6       ATOM   383   C   ASP A   49   28.562   −3.133   2.803   1.00   26.80   6       ATOM   384   O   ASP A   49   27.400   −2.841   3.120   1.00   28.51   8       ATOM   385   CB   ASP A   49   29.066   −5.563   2.775   1.00   31.27   6       ATOM   386   CG   ASP A   49   29.809   −6.700   2.149   1.00   35.17   6       ATOM   387   OD1   ASP A   49   30.741   −7.285   2.759   1.00   35.30   8       ATOM   388   OD2   ASP A   49   29.459   −7.142   1.032   1.00   39.32   8       ATOM   389   N   VAL A   50   29.551   −2.305   3.185   1.00   21.71   7       ATOM   390   CA   VAL A   50   29.379   −1.186   4.072   1.00   24.23   6       ATOM   391   C   VAL A   50   30.120   0.032   3.514   1.00   22.66   6       ATOM   392   O   VAL A   50   31.259   −0.150   3.088   1.00   23.46   8       ATOM   393   CB   VAL A   50   29.960   −1.492   5.460   1.00   28.04   6       ATOM   394   CG1   VAL A   50   29.862   −0.274   6.353   1.00   30.12   6       ATOM   395   CG2   VAL A   50   29.310   −2.723   6.087   1.00   31.57   6       ATOM   396   N   VAL A   51   29.462   1.181   3.484   1.00   20.55   7       ATOM   397   CA   VAL A   51   30.124   2.367   2.940   1.00   18.63   6       ATOM   398   C   VAL A   51   30.317   3.377   4.038   1.00   19.83   6       ATOM   399   O   VAL A   51   29.382   3.743   4.754   1.00   19.84   8       ATOM   400   CB   VAL A   51   29.292   3.029   1.830   1.00   21.12   6       ATOM   401   CG1   VAL A   51   29.993   4.288   1.310   1.00   22.56   6       ATOM   402   CG2   VAL A   51   29.015   2.098   0.666   1.00   23.68   6       ATOM   403   N   VAL A   52   31.527   3.878   4.198   1.00   18.34   7       ATOM   404   CA   VAL A   52   31.884   4.890   5.151   1.00   18.76   6       ATOM   405   C   VAL A   52   32.298   6.183   4.450   1.00   20.80   6       ATOM   406   O   VAL A   52   33.147   6.104   3.559   1.00   21.14   8       ATOM   407   CB   VAL A   52   33.088   4.473   6.034   1.00   20.37   6       ATOM   408   CG1   VAL A   52   33.539   5.585   6.978   1.00   19.87   6       ATOM   409   CG2   VAL A   52   32.719   3.217   6.820   1.00   21.14   6       ATOM   410   N   VAL A   53   31.712   7.325   4.777   1.00   18.75   7       ATOM   411   CA   VAL A   53   32.134   8.568   4.131   1.00   18.32   6       ATOM   412   C   VAL A   53   32.759   9.411   5.215   1.00   18.55   6       ATOM   413   O   VAL A   53   32.055   9.630   6.225   1.00   19.86   8       ATOM   414   CB   VAL A   53   30.949   9.327   3.473   1.00   18.40   6       ATOM   415   CG1   VAL A   53   31.462   10.680   2.967   1.00   20.65   6       ATOM   416   CG2   VAL A   53   30.322   8.469   2.396   1.00   17.69   6       ATOM   417   N   SER A   54   33.913   9.963   4.996   1.00   16.45   7       ATOM   418   CA   SER A   54   34.482   10.911   5.946   1.00   20.30   6       ATOM   419   C   SER A   54   34.280   12.349   5.478   1.00   21.22   6       ATOM   420   O   SER A   54   34.281   12.545   4.254   1.00   18.83   8       ATOM   421   CB   SER A   54   35.971   10.631   6.156   1.00   21.31   6       ATOM   422   OG   SER A   54   36.695   10.788   4.949   1.00   21.56   8       ATOM   423   N   ILE A   55   33.909   13.223   6.394   1.00   21.28   7       ATOM   424   CA   ILE A   55   33.699   14.621   6.108   1.00   19.86   6       ATOM   425   C   ILE A   55   34.649   15.356   7.100   1.00   20.76   6       ATOM   426   O   ILE A   55   34.344   15.342   8.300   1.00   22.84   8       ATOM   427   CB   ILE A   55   32.273   15.102   6.291   1.00   21.61   6       ATOM   428   CG1   ILE A   55   31.333   14.422   5.255   1.00   21.20   6       ATOM   429   CG2   ILE A   55   32.222   16.614   6.139   1.00   22.98   6       ATOM   430   CD1   ILE A   55   29.854   14.691   5.584   1.00   24.15   6       ATOM   431   N   PHE A   56   35.723   15.883   6.577   1.00   17.70   7       ATOM   432   CA   PHE A   56   36.699   16.589   7.404   1.00   18.93   6       ATOM   433   C   PHE A   56   37.459   17.589   6.579   1.00   20.83   6       ATOM   434   O   PHE A   56   38.263   17.314   5.680   1.00   21.50   8       ATOM   435   CB   PHE A   56   37.671   15.557   8.060   1.00   17.73   6       ATOM   436   CG   PHE A   56   38.721   16.209   8.950   1.00   19.66   6       ATOM   437   CD1   PHE A   56   38.297   16.881   10.098   1.00   20.08   6       ATOM   438   CD2   PHE A   56   40.059   16.144   8.616   1.00   20.24   6       ATOM   439   CE1   PHE A   56   39.261   17.479   10.909   1.00   19.99   6       ATOM   440   CE2   PHE A   56   41.029   16.743   9.433   1.00   20.35   6       ATOM   441   CZ   PHE A   56   40.591   17.409   10.573   1.00   21.50   6       ATOM   442   N   VAL A   57   37.284   18.883   6.949   1.00   21.60   7       ATOM   443   CA   VAL A   57   38.009   19.978   6.334   1.00   23.17   6       ATOM   444   C   VAL A   57   39.362   20.006   7.039   1.00   25.23   6       ATOM   445   O   VAL A   57   39.473   20.469   8.172   1.00   24.88   8       ATOM   446   CB   VAL A   57   37.247   21.325   6.458   1.00   23.78   6       ATOM   447   CG1   VAL A   57   38.051   22.403   5.763   1.00   24.08   6       ATOM   448   CG2   VAL A   57   35.853   21.178   5.874   1.00   23.56   6       ATOM   449   N   ASN A   58   40.343   19.429   6.377   1.00   24.28   7       ATOM   450   CA   ASN A   58   41.667   19.181   6.907   1.00   22.31   6       ATOM   451   C   ASN A   58   42.545   20.385   6.858   1.00   23.05   6       ATOM   452   O   ASN A   58   42.072   20.747   5.806   1.00   24.44   8       ATOM   453   CB   ASN A   58   42.250   18.045   6.040   1.00   21.07   6       ATOM   454   CG   ASN A   58   43.684   17.738   6.385   1.00   22.18   6       ATOM   455   OD1   ASN A   58   44.133   17.942   7.521   1.00   23.39   8       ATOM   456   ND2   ASN A   58   44.431   17.254   5.415   1.00   20.86   7       ATOM   457   N   PRO A   59   42.863   21.002   8.000   1.00   24.30   7       ATOM   458   CA   PRO A   59   43.727   22.187   7.996   1.00   25.81   6       ATOM   459   C   PRO A   59   45.060   22.042   7.348   1.00   26.27   6       ATOM   460   O   PRO A   59   45.679   22.957   6.784   1.00   27.28   8       ATOM   461   CB   PRO A   59   43.869   22.509   9.493   1.00   24.50   6       ATOM   462   CG   PRO A   59   42.719   21.834   10.171   1.00   26.42   6       ATOM   463   CD   PRO A   59   42.427   20.600   9.337   1.00   14.44   6       ATOM   464   N   MET A   60   45.602   20.784   7.391   1.00   27.24   7       ATOM   465   CA   MET A   60   46.952   20.529   6.856   1.00   28.64   6       ATOM   466   C   MET A   60   47.008   20.656   5.361   1.00   31.51   6       ATOM   467   O   MET A   60   48.101   20.868   4.822   1.00   31.68   8       ATOM   468   CB   MET A   60   47.374   19.171   7.462   1.00   28.13   6       ATOM   469   CG   MET A   60   48.810   18.867   7.264   1.00   32.00   6       ATOM   470   SD   MET A   60   49.373   17.277   7.999   1.00   31.44   16       ATOM   471   CE   MET A   60   50.665   17.068   6.848   1.00   31.98   6       ATOM   472   N   GLN A   61   45.847   20.601   4.648   1.00   30.53   7       ATOM   473   CA   GLN A   61   45.972   20.800   3.202   1.00   33.22   6       ATOM   474   C   GLN A   61   45.492   22.174   2.780   1.00   35.82   6       ATOM   475   O   GLN A   61   45.183   22.463   1.611   1.00   39.20   8       ATOM   476   CB   GLN A   61   45.264   19.567   2.566   1.00   31.83   6       ATOM   477   CG   CLN A   61   43.747   19.745   2.433   1.00   29.02   6       ATOM   478   CD   GLN A   61   43.189   18.320   2.094   1.00   28.13   6       ATOM   479   OE1   GLN A   61   43.302   17.290   2.731   1.00   24.18   8       ATOM   480   NE2   GLN A   61   42.486   18.326   0.963   1.00   28.14   7       ATOM   481   N   PHE A   62   45.576   23.209   3.658   1.00   33.24   7       ATOM   482   CA   PHE A   62   45.219   24.574   3.275   1.00   33.76   6       ATOM   483   C   PHE A   62   46.434   25.502   3.390   1.00   35.21   6       ATOM   484   O   PHE A   62   47.120   25.382   4.405   1.00   33.54   8       ATOM   485   CB   PHE A   62   44.138   25.218   4.136   1.00   31.27   6       ATOM   486   CG   PHE A   62   42.754   24.742   3.809   1.00   30.27   6       ATOM   487   CD1   PHE A   62   42.301   23.528   4.291   1.00   29.03   6       ATOM   488   CD2   PHE A   62   41.930   25.486   2.975   1.00   29.79   6       ATOM   489   CE1   PHE A   62   41.037   23.065   3.956   1.00   28.62   6       ATOM   490   CE2   PHE A   62   40.682   25.043   2.637   1.00   28.83   6       ATOM   491   CZ   PHE A   62   40.223   23.823   3.112   1.00   28.44   6       ATOM   492   N   ASP A   63   46.598   26.394   2.439   1.00   40.06   7       ATOM   493   CA   ASP A   63   47.689   27.339   2.350   1.00   42.93   6       ATOM   494   C   ASP A   63   47.787   28.342   3.485   1.00   44.06   6       ATOM   495   O   ASP A   63   48.906   28.726   3.827   1.00   43.96   8       ATOM   496   CB   ASP A   63   47.575   28.206   1.085   1.00   47.09   6       ATOM   497   CG   ASP A   63   47.423   27.434   −0.198   1.00   51.39   6       ATOM   498   OD1   ASP A   63   47.397   26.169   −0.162   1.00   54.46   8       ATOM   499   OD2   ASP A   63   47.317   28.098   −1.257   1.00   52.58   8       ATOM   500   N   ARG A   64   46.669   28.845   3.990   1.00   43.31   7       ATOM   501   CA   ARG A   64   46.717   29.795   5.095   1.00   44.44   6       ATOM   502   C   ARG A   64   45.451   29.635   5.923   1.00   41.86   6       ATOM   503   O   ARG A   64   44.424   29.201   5.428   1.00   38.21   8       ATOM   504   CB   ARG A   64   46.808   31.240   4.660   1.00   47.55   6       ATOM   505   CG   ARG A   64   48.161   31.803   4.295   1.00   52.46   6       ATOM   506   CD   ARG A   64   47.938   33.125   3.520   1.00   55.58   6       ATOM   507   NE   ARG A   64   47.067   32.875   2.441   1.00   58.62   7       ATOM   508   CZ   ARG A   64   46.215   32.846   1.486   1.00   60.36   6       ATOM   509   NH1   ARG A   64   45.436   33.900   1.230   1.00   62.10   7       ATOM   510   NH2   ARG A   64   46.118   31.748   0.742   1.00   60.56   7       ATOM   511   N   PRO A   65   45.506   30.080   7.169   1.00   41.07   7       ATOM   512   CA   PRO A   65   44.375   30.002   8.068   1.00   41.23   6       ATOM   513   C   PRO A   65   43.127   30.709   7.584   1.00   41.03   6       ATOM   514   O   PRO A   65   42.000   30.258   7.847   1.00   39.31   8       ATOM   515   CB   PRO A   65   44.911   30.622   9.356   1.00   42.70   6       ATOM   516   CG   PRO A   65   46.398   30.368   9.281   1.00   43.00   6       ATOM   517   CD   PRO A   65   46.709   30.642   7.823   1.00   42.34   6       ATOM   518   N   GLU A   66   43.274   31.789   6.810   1.00   41.59   7       ATOM   519   CA   GLU A   66   42.070   32.514   6.362   1.00   42.96   6       ATOM   520   C   GLU A   66   41.347   31.757   5.259   1.00   40.61   6       ATOM   521   O   GLU A   66   40.120   31.853   5.153   1.00   38.18   8       ATOM   522   CB   GLU A   66   42.463   33.934   5.932   1.00   48.02   6       ATOM   523   CG   GLU A   66   43.670   33.931   5.016   1.00   54.67   6       ATOM   524   CD   GLU A   66   44.083   35.290   4.503   1.00   59.02   6       ATOM   525   OE1   GLU A   66   44.156   36.244   5.323   1.00   62.04   8       ATOM   526   OE2   GLU A   66   44.334   35.389   3.276   1.00   60.81   8       ATOM   527   N   ASP A   67   42.108   30.969   4.481   1.00   38.50   7       ATOM   528   CA   ASP A   67   41.447   30.178   3.439   1.00   37.14   6       ATOM   529   C   ASP A   67   40.655   29.082   4.122   1.00   34.07   6       ATOM   530   O   ASP A   67   39.529   28.761   3.792   1.00   30.58   8       ATOM   531   CB   ASP A   67   42.413   29.550   2.449   1.00   41.16   6       ATOM   532   CG   ASP A   67   43.388   30.540   1.846   1.00   44.61   6       ATOM   533   OD1   ASP A   67   43.068   31.742   1.741   1.00   46.57   8       ATOM   534   OD2   ASP A   67   44.487   30.073   1.482   1.00   47.46   8       ATOM   535   N   LEU A   68   41.286   28.452   5.142   1.00   31.94   7       ATOM   536   CA   LEU A   68   40.581   27.433   5.887   1.00   30.62   6       ATOM   537   C   LEU A   68   39.303   27.981   6.477   1.00   30.54   6       ATOM   538   O   LEU A   68   38.243   27.345   6.533   1.00   30.35   8       ATOM   539   CB   LEU A   68   41.523   26.893   7.001   1.00   29.74   6       ATOM   540   CG   LEU A   68   40.908   25.958   8.016   1.00   30.11   6       ATOM   541   CD1   LEU A   68   40.510   24.577   7.474   1.00   30.95   6       ATOM   542   CD2   LEU A   68   41.899   25.712   9.149   1.00   31.60   6       ATOM   543   N   ALA A   69   39.345   29.225   7.012   1.00   29.90   7       ATOM   544   CA   ALA A   69   38.146   29.740   7.662   1.00   32.87   6       ATOM   545   C   ALA A   69   37.021   29.993   6.663   1.00   34.82   6       ATOM   546   O   ALA A   69   35.855   29.854   7.018   1.00   35.59   8       ATOM   547   CB   ALA A   69   38.487   31.030   8.425   1.00   32.66   6       ATOM   548   N   ARG A   70   37.345   30.321   5.431   1.00   34.63   7       ATOM   549   CA   ARG A   70   36.337   30.625   4.423   1.00   37.34   6       ATOM   550   C   ARG A   70   35.777   29.350   3.803   1.00   36.74   6       ATOM   551   O   ARG A   70   34.726   29.502   3.165   1.00   35.73   8       ATOM   552   CB   ARG A   70   36.923   31.526   3.334   1.00   38.93   6       ATOM   553   CG   ARG A   70   37.284   32.923   3.813   1.00   41.54   6       ATOM   554   CD   ARG A   70   37.555   33.855   2.643   1.00   43.19   6       ATOM   555   NE   ARG A   70   38.731   33.447   1.880   1.00   47.13   7       ATOM   556   CZ   ARG A   70   39.977   33.789   2.190   1.00   47.82   6       ATOM   557   NH1   ARG A   70   40.213   34.544   3.252   1.00   51.37   7       ATOM   558   NH2   ARG A   70   40.984   33.371   1.435   1.00   48.98   7       ATOM   559   N   TYR A   71   36.419   28.197   3.875   1.00   32.87   7       ATOM   560   CA   TYR A   71   35.941   26.999   3.187   1.00   31.99   6       ATOM   561   C   TYR A   71   34.522   26.700   3.578   1.00   30.54   6       ATOM   562   O   TYR A   71   34.125   26.714   4.739   1.00   30.28   8       ATOM   563   CB   TYR A   71   36.927   25.840   3.502   1.00   29.15   6       ATOM   564   CG   TYR A   71   36.753   24.730   2.482   1.00   29.96   6       ATOM   565   CD1   TYR A   71   37.363   24.753   1.233   1.00   30.99   6       ATOM   566   CD2   TYR A   71   35.931   23.658   2.815   1.00   29.82   6       ATOM   567   CE1   TYR A   71   37.166   23.667   0.356   1.00   33.09   6       ATOM   568   CE2   TYR A   71   35.713   22.625   1.927   1.00   31.04   6       ATOM   569   CZ   TYR A   71   36.332   22.650   0.702   1.00   31.47   6       ATOM   570   OH   TYR A   71   36.163   21.647   −0.214   1.00   34.74   8       ATOM   571   N   PRO A   72   33.687   26.356   2.591   1.00   33.76   7       ATOM   572   CA   PRO A   72   32.271   26.095   2.809   1.00   35.62   6       ATOM   573   C   PRO A   72   31.987   24.932   3.712   1.00   36.23   6       ATOM   574   O   PRO A   72   32.552   23.855   3.521   1.00   37.45   8       ATOM   575   CB   PRO A   72   31.695   25.904   1.408   1.00   36.05   6       ATOM   576   CG   PRO A   72   32.853   25.628   0.524   1.00   36.68   6       ATOM   577   CD   PRO A   72   34.044   26.284   1.155   1.00   35.26   6       ATOM   578   N   ARG A   73   31.114   25.089   4.705   1.00   35.24   7       ATOM   579   CA   ARG A   73   30.752   23.978   5.580   1.00   35.44   6       ATOM   580   C   ARG A   73   29.254   23.803   5.446   1.00   36.32   6       ATOM   581   O   ARG A   73   28.544   24.827   5.569   1.00   36.64   8       ATOM   582   CB   ARG A   73   31.232   24.214   7.012   1.00   37.96   6       ATOM   583   CG   ARG A   73   32.778   24.055   6.985   1.00   38.27   6       ATOM   584   CD   ARG A   73   33.433   24.599   8.180   1.00   39.86   6       ATOM   585   NE   ARG A   73   34.854   24.417   8.347   1.00   37.69   7       ATOM   586   CZ   ARG A   73   35.799   25.216   7.876   1.00   38.63   6       ATOM   587   NH1   ARG A   73   37.047   24.918   8.212   1.00   36.16   7       ATOM   588   NH2   ARG A   73   35.534   26.279   7.132   1.00   38.20   7       ATOM   589   N   THR A   74   28.763   22.645   5.057   1.00   34.43   7       ATOM   590   CA   THR A   74   27.358   22.363   4.859   1.00   34.04   6       ATOM   591   C   THR A   74   27.033   20.953   5.354   1.00   32.80   6       ATOM   592   O   THR A   74   26.421   20.107   4.689   1.00   31.08   8       ATOM   593   CB   THR A   74   26.856   22.409   3.403   1.00   36.39   6       ATOM   594   OG1   THR A   74   27.567   21.394   2.652   1.00   38.24   8       ATOM   595   CG2   THR A   74   27.020   23.800   2.776   1.00   37.30   6       ATOM   596   N   LEU A   75   27.405   20.714   6.616   1.00   31.90   7       ATOM   597   CA   LEU A   75   27.234   19.377   7.168   1.00   30.80   6       ATOM   598   C   LEU A   75   25.818   18.900   7.129   1.00   30.32   6       ATOM   599   O   LEU A   75   25.595   17.716   6.815   1.00   29.31   8       ATOM   600   CB   LEU A   75   27.865   19.401   8.605   1.00   32.17   6       ATOM   601   CG   LEU A   75   27.986   18.001   9.219   1.00   33.15   6       ATOM   602   CD1   LEU A   75   28.985   17.154   8.420   1.00   33.59   6       ATOM   603   CD2   LEU A   75   28.401   18.093   10.663   1.00   32.87   6       ATOM   604   N   GLN A   76   24.793   19.692   7.502   1.00   29.90   7       ATOM   605   CA   GLN A   76   23.429   19.175   7.436   1.00   31.72   6       ATOM   606   C   GLN A   76   23.040   18.695   6.054   1.00   28.82   6       ATOM   607   O   GLN A   76   22.449   17.626   5.924   1.00   30.69   8       ATOM   608   CB   GLN A   76   22.423   20.270   7.881   1.00   34.78   6       ATOM   609   CG   GLN A   76   21.016   19.720   8.042   1.00   40.38   6       ATOM   610   CD   GLN A   76   20.095   20.836   8.524   1.00   45.28   6       ATOM   611   OE1   GLN A   76   19.111   21.196   7.859   1.00   48.24   8       ATOM   612   NE2   GLN A   76   20.453   21.402   9.677   1.00   47.35   7       ATOM   613   N   GLU A   77   23.274   19.493   5.023   1.00   26.49   7       ATOM   614   CA   GLU A   77   22.946   19.111   3.656   1.00   27.35   6       ATOM   615   C   GLU A   77   23.777   17.906   3.193   1.00   27.59   6       ATOM   616   O   GLU A   77   23.263   17.064   2.463   1.00   27.03   8       ATOM   617   CB   GLU A   77   23.227   20.280   2.718   1.00   28.83   6       ATOM   618   CG   GLU A   77   22.722   19.997   1.302   1.00   32.09   6       ATOM   619   N   ASP A   78   25.048   17.886   3.617   1.00   26.66   7       ATOM   620   CA   ASP A   78   25.875   16.706   3.239   1.00   26.91   6       ATOM   621   C   ASP A   78   25.226   15.431   3.735   1.00   26.68   6       ATOM   622   O   ASP A   78   25.042   14.448   3.018   1.00   24.38   8       ATOM   623   CB   ASP A   78   27.275   16.820   3.796   1.00   25.18   6       ATOM   624   CG   ASP A   78   28.116   17.931   3.332   1.00   28.50   6       ATOM   625   OD1   ASP A   78   27.681   18.573   2.312   1.00   28.92   8       ATOM   626   OD2   ASP A   78   29.179   18.397   3.774   1.00   29.90   8       ATOM   627   N   CYS A   79   24.883   15.488   5.051   1.00   27.85   7       ATOM   628   CA   CYS A   79   24.304   14.292   5.666   1.00   30.04   6       ATOM   629   C   CYS A   79   22.949   13.894   5.111   1.00   29.71   6       ATOM   630   O   CYS A   79   22.684   12.715   4.944   1.00   29.58   8       ATOM   631   CB   CYS A   79   24.188   14.507   7.183   1.00   31.67   6       ATOM   632   SG   CYS A   79   25.844   14.386   7.916   1.00   33.92   16       ATOM   633   N   GLU A   80   22.134   14.874   4.734   1.00   30.93   7       ATOM   634   CA   GLU A   80   20.899   14.555   4.007   1.00   32.01   6       ATOM   635   C   GLU A   80   21.197   13.812   2.705   1.00   29.17   6       ATOM   636   O   GLU A   80   20.524   12.822   2.413   1.00   29.08   8       ATOM   637   CB   GLU A   80   20.135   15.852   3.756   1.00   36.34   6       ATOM   638   CG   GLU A   80   19.379   16.349   4.985   1.00   43.73   6       ATOM   639   CD   GLU A   80   18.700   17.700   4.818   1.00   48.86   6       ATOM   640   OE1   GLU A   80   18.432   18.156   3.670   1.00   51.62   8       ATOM   641   OE2   GLU A   80   18.442   18.338   5.884   1.00   51.33   8       ATOM   642   N   LYS A   81   22.175   14.264   1.921   1.00   26.79   7       ATOM   643   CA   LYS A   81   22.522   13.581   0.676   1.00   27.73   6       ATOM   644   C   LYS A   81   23.067   12.161   0.921   1.00   27.62   6       ATOM   645   O   LYS A   81   22.686   11.291   0.147   1.00   25.90   8       ATOM   646   CB   LYS A   81   23.541   14.390   −0.112   1.00   27.61   6       ATOM   647   CG   LYS A   81   23.036   15.708   −0.702   1.00   27.05   6       ATOM   648   CD   LYS A   81   24.149   16.381   −1.485   1.00   29.23   6       ATOM   649   CE   LYS A   81   23.586   17.726   −1.958   1.00   31.40   6       ATOM   650   NZ   LYS A   81   24.290   18.189   −3.180   1.00   33.21   7       ATOM   651   N   LEU A   82   23.941   12.067   1.932   1.00   25.01   7       ATOM   652   CA   LEU A   82   24.428   10.653   2.208   1.00   25.50   6       ATOM   653   C   LEU A   82   23.359   9.729   2.719   1.00   24.46   6       ATOM   654   O   LEU A   82   23.296   8.571   2.335   1.00   25.35   8       ATOM   655   CB   LEU A   82   25.616   10.767   3.179   1.00   24.87   6       ATOM   656   CG   LEU A   82   26.765   11.600   2.627   1.00   25.74   6       ATOM   657   CD1   LEU A   82   27.854   11.923   3.663   1.00   24.08   6       ATOM   658   CD2   LEU A   82   27.412   10.853   1.463   1.00   24.64   6       ATOM   659   N   ASN A   83   22.437   10.262   3.549   1.00   27.59   7       ATOM   660   CA   ASN A   83   21.352   9.467   4.081   1.00   29.62   6       ATOM   661   C   ASN A   83   20.400   9.086   2.941   1.00   31.66   6       ATOM   662   O   ASN A   83   20.066   7.899   2.966   1.00   31.60   8       ATOM   663   CB   ASN A   83   20.649   10.212   5.205   1.00   32.77   6       ATOM   664   CG   ASN A   83   19.718   9.324   6.010   1.00   37.49   6       ATOM   665   OD1   ASN A   83   18.788   9.898   6.588   1.00   42.54   8       ATOM   666   ND2   ASN A   83   19.899   8.019   6.093   1.00   37.69   7       ATOM   667   N   LYS A   84   20.176   9.954   1.933   1.00   31.56   7       ATOM   668   CA   LYS A   84   19.397   9.440   0.781   1.00   33.04   6       ATOM   669   C   LYS A   84   20.155   8.440   −0.069   1.00   34.14   6       ATOM   670   O   LYS A   84   19.531   7.661   −0.824   1.00   34.69   8       ATOM   671   CB   LYS A   84   18.915   10.637   −0.071   1.00   36.71   6       ATOM   672   CG   LYS A   84   17.639   11.350   0.339   1.00   42.14   6       ATOM   673   CD   LYS A   84   17.457   12.707   −0.355   1.00   45.16   6       ATOM   674   CE   LYS A   84   16.334   13.494   0.303   1.00   48.19   6       ATOM   675   NZ   LYS A   84   16.337   14.928   −0.105   1.00   50.51   7       ATOM   676   N   ARG A   85   21.483   8.305   0.021   1.00   34.32   7       ATOM   677   CA   ARG A   85   22.276   7.344   −0.773   1.00   33.70   6       ATOM   678   C   ARG A   85   22.620   6.057   −0.050   1.00   34.60   6       ATOM   679   O   ARG A   85   23.358   5.112   −0.377   1.00   36.33   8       ATOM   680   CB   ARG A   85   23.529   8.099   −1.166   1.00   34.84   6       ATOM   681   CG   ARG A   85   24.040   7.946   −2.583   1.00   36.24   6       ATOM   682   CD   ARG A   85   23.177   8.780   −3.502   1.00   37.79   6       ATOM   683   NE   ARG A   85   23.549   8.555   −4.891   1.00   36.63   7       ATOM   684   CZ   ARG A   85   23.122   9.364   −5.853   1.00   37.76   6       ATOM   685   NH1   ARG A   85   22.368   10.397   −5.507   1.00   38.88   7       ATOM   686   NH2   ARG A   85   23.473   9.117   −7.100   1.00   37.39   7       ATOM   687   N   LYS A   86   21.948   5.940   1.093   1.00   33.51   7       ATOM   688   CA   LYS A   86   21.983   4.881   2.059   1.00   34.48   6       ATOM   689   C   LYS A   86   23.404   4.563   2.503   1.00   32.25   6       ATOM   690   O   LYS A   86   23.823   3.405   2.516   1.00   34.37   8       ATOM   691   CB   LYS A   86   21.290   3.624   1.477   1.00   37.47   6       ATOM   692   CG   LYS A   86   19.862   3.957   1.034   1.00   42.40   6       ATOM   693   CD   LYS A   86   18.990   4.373   2.205   1.00   46.88   6       ATOM   694   CE   LYS A   86   18.857   3.256   3.233   1.00   50.03   6       ATOM   695   NZ   LYS A   86   18.397   3.827   4.543   1.00   52.47   7       ATOM   696   N   VAL A   87   24.138   5.595   2.885   1.00   29.97   7       ATOM   697   CA   VAL A   87   25.490   5.405   3.428   1.00   26.05   6       ATOM   698   C   VAL A   87   25.390   4.849   4.829   1.00   28.43   6       ATOM   699   O   VAL A   87   24.498   5.233   5.587   1.00   26.14   8       ATOM   700   CB   VAL A   87   26.199   6.749   3.397   1.00   26.58   6       ATOM   701   CG1   VAL A   87   27.425   6.848   4.304   1.00   23.69   6       ATOM   702   CG2   VAL A   87   26.640   7.063   1.961   1.00   25.53   6       ATOM   703   N   ASP A   88   26.274   3.947   5.231   1.00   25.06   7       ATOM   704   CA   ASP A   88   26.163   3.320   6.552   1.00   27.11   6       ATOM   705   C   ASP A   88   26.718   4.129   7.696   1.00   26.68   6       ATOM   706   O   ASP A   88   26.108   4.221   8.763   1.00   27.00   8       ATOM   707   CB   ASP A   88   26.899   1.986   6.461   1.00   29.00   6       ATOM   708   CG   ASP A   88   26.332   1.114   5.377   1.00   31.90   6       ATOM   709   OD1   ASP A   88   25.301   0.444   5.714   1.00   34.25   8       ATOM   710   OD2   ASP A   88   26.819   1.060   4.237   1.00   30.16   8       ATOM   711   N   LEU A   89   27.798   4.864   7.483   1.00   21.05   7       ATOM   712   CA   LEU A   89   28.448   5.620   8.532   1.00   22.89   6       ATOM   713   C   LEU A   89   29.085   6.879   7.997   1.00   25.24   6       ATOM   714   O   LEU A   89   29.775   6.771   6.967   1.00   24.36   8       ATOM   715   CB   LEU A   89   29.561   4.723   9.069   1.00   27.61   6       ATOM   716   CG   LEU A   89   30.275   5.099   10.342   1.00   31.35   6       ATOM   717   CD1   LEU A   89   30.916   3.857   10.963   1.00   34.98   6       ATOM   718   CD2   LEU A   89   31.363   6.137   10.099   1.00   33.01   6       ATOM   719   N   VAL A   90   28.910   7.987   8.677   1.00   22.49   7       ATOM   720   CA   VAL A   90   29.577   9.200   8.296   1.00   23.34   6       ATOM   721   C   VAL A   90   30.551   9.518   9.431   1.00   24.94   6       ATOM   722   O   VAL A   90   30.041   9.581   10.575   1.00   25.44   8       ATOM   723   CB   VAL A   90   28.602   10.366   8.153   1.00   21.61   6       ATOM   724   CG1   VAL A   90   29.294   11.692   7.966   1.00   23.24   6       ATOM   725   CG2   VAL A   90   27.695   10.065   6.945   1.00   24.01   6       ATOM   726   N   PHE A   91   31.819   9.736   9.120   1.00   20.62   7       ATOM   727   CA   PHE A   91   32.779   10.106   10.131   1.00   21.25   6       ATOM   728   C   PHE A   91   33.008   11.589   9.966   1.00   22.65   6       ATOM   729   O   PHE A   91   33.612   12.028   8.957   1.00   20.89   8       ATOM   730   CB   PHE A   91   34.059   9.254   9.968   1.00   20.01   6       ATOM   731   CG   PHE A   91   35.181   9.639   10.897   1.00   20.02   6       ATOM   732   CD1   PHE A   91   34.954   9.716   12.277   1.00   20.82   6       ATOM   733   CD2   PHE A   91   36.465   9.830   10.421   1.00   21.38   6       ATOM   734   CE1   PHE A   91   36.004   10.045   13.150   1.00   21.05   6       ATOM   735   CE2   PHE A   91   37.503   10.196   11.281   1.00   23.76   6       ATOM   736   CZ   PHE A   91   37.261   10.233   12.631   1.00   21.99   6       ATOM   737   N   ALA A   92   32.580   12.382   10.985   1.00   23.09   7       ATOM   738   CA   ALA A   92   32.750   13.824   10.898   1.00   23.04   6       ATOM   739   C   ALA A   92   33.406   14.387   12.142   1.00   24.15   6       ATOM   740   O   ALA A   92   32.699   14.986   12.979   1.00   24.45   8       ATOM   741   CB   ALA A   92   31.368   14.496   10.717   1.00   23.41   6       ATOM   742   N   PRO A   93   34.701   14.252   12.284   1.00   23.10   7       ATOM   743   CA   PRO A   93   35.387   14.638   13.507   1.00   21.87   6       ATOM   744   C   PRO A   93   35.695   16.093   13.560   1.00   23.67   6       ATOM   745   O   PRO A   93   35.740   16.790   12.510   1.00   24.71   8       ATOM   746   CB   PRO A   93   36.687   13.798   13.426   1.00   21.94   6       ATOM   747   CG   PRO A   93   37.002   13.904   11.930   1.00   23.58   6       ATOM   748   CD   PRO A   93   35.643   13.553   11.336   1.00   21.29   6       ATOM   749   N   SER A   94   35.940   16.664   14.752   1.00   23.63   7       ATOM   750   CA   SER A   94   36.447   18.022   14.812   1.00   26.17   6       ATOM   751   C   SER A   94   37.939   18.117   14.561   1.00   26.12   6       ATOM   752   O   SER A   94   38.700   17.126   14.588   1.00   25.24   8       ATOM   753   CB   SER A   94   36.151   18.617   16.207   1.00   26.90   6       ATOM   754   OG   SER A   94   36.930   17.871   17.168   1.00   27.23   8       ATOM   755   N   VAL A   95   38.487   19.308   14.308   1.00   25.69   7       ATOM   756   CA   VAL A   95   39.900   19.519   14.115   1.00   25.50   6       ATOM   757   C   VAL A   95   40.639   19.107   15.409   1.00   28.17   6       ATOM   758   O   VAL A   95   41.692   18.475   15.307   1.00   27.54   8       ATOM   759   CB   VAL A   95   40.319   20.963   13.788   1.00   27.40   6       ATOM   760   CG1   VAL A   95   41.808   21.236   13.929   1.00   27.91   6       ATOM   761   CG2   VAL A   95   39.873   21.263   12.346   1.00   26.36   6       ATOM   762   N   LYS A   96   40.047   19.405   16.570   1.00   26.82   7       ATOM   763   CA   LYS A   96   40.718   18.994   17.823   1.00   28.89   6       ATOM   764   C   LYS A   96   40.773   17.474   17.962   1.00   28.61   6       ATOM   765   O   LYS A   96   41.723   16.951   18.539   1.00   27.95   8       ATOM   766   CB   LYS A   96   40.013   19.550   19.066   1.00   29.19   6       ATOM   767   N   GLU A   97   39.756   16.765   17.486   1.00   28.36   7       ATOM   768   CA   GLU A   97   39.748   15.295   17.583   1.00   29.80   6       ATOM   769   C   GLU A   97   40.830   14.674   16.708   1.00   29.13   6       ATOM   770   O   GLU A   97   41.565   13.752   17.126   1.00   29.24   8       ATOM   771   CB   GLU A   97   38.365   14.782   17.214   1.00   29.05   6       ATOM   772   CG   GLU A   97   38.194   13.265   17.303   1.00   28.83   6       ATOM   773   CD   GLU A   97   38.133   12.796   18.762   1.00   30.81   6       ATOM   774   OE1   GLU A   97   38.046   13.687   19.649   1.00   32.00   8       ATOM   775   OE2   GLU A   97   38.132   11.592   19.080   1.00   28.32   8       ATOM   776   N   ILE A   98   41.066   15.194   15.516   1.00   26.74   7       ATOM   777   CA   ILE A   98   42.110   14.673   14.641   1.00   24.88   6       ATOM   778   C   ILE A   98   43.483   15.219   14.955   1.00   26.67   6       ATOM   779   O   ILE A   98   44.485   14.459   14.852   1.00   24.09   8       ATOM   780   CB   ILE A   98   41.817   14.972   13.147   1.00   23.79   6       ATOM   781   CG1   ILE A   98   40.483   14.337   12.789   1.00   22.35   6       ATOM   782   CG2   ILE A   98   42.971   14.486   12.252   1.00   22.39   6       ATOM   783   CD1   ILE A   98   40.431   12.804   12.865   1.00   24.57   6       ATOM   784   N   TYR A   99   43.603   16.493   15.375   1.00   24.39   7       ATOM   785   CA   TYR A   99   44.886   17.127   15.585   1.00   26.57   6       ATOM   786   C   TYR A   99   44.917   17.788   16.978   1.00   26.98   6       ATOM   787   O   TYR A   99   44.959   18.984   17.080   1.00   29.92   8       ATOM   788   CB   TYR A   99   45.244   18.185   14.514   1.00   24.58   6       ATOM   789   CG   TYR A   99   45.318   17.673   13.080   1.00   24.59   6       ATOM   790   CD1   TYR A   99   44.461   18.086   12.085   1.00   23.63   6       ATOM   791   CD2   TYR A   99   46.371   16.838   12.709   1.00   23.01   6       ATOM   792   CE1   TYR A   99   44.573   17.677   10.760   1.00   23.55   6       ATOM   793   CE2   TYR A   99   46.491   16.358   11.405   1.00   25.75   6       ATOM   794   CZ   TYR A   99   45.593   16.773   10.447   1.00   24.33   6       ATOM   795   OH   TYR A   99   45.814   16.340   9.160   1.00   22.62   8       ATOM   796   N   PRO A   100   44.891   17.004   18.020   1.00   29.54   7       ATOM   797   CA   PRO A   100   44.819   17.563   19.401   1.00   30.81   6       ATOM   798   C   PRO A   100   46.024   18.411   19.723   1.00   33.04   6       ATOM   799   O   PRO A   100   45.855   19.351   20.545   1.00   34.95   8       ATOM   800   CB   PRO A   100   44.652   16.358   20.291   1.00   32.03   6       ATOM   801   CG   PRO A   100   45.376   15.277   19.517   1.00   31.65   6       ATOM   802   CD   PRO A   100   44.894   15.532   18.081   1.00   29.86   6       ATOM   803   N   ASN A   101   47.177   18.234   19.116   1.00   30.09   7       ATOM   804   CA   ASN A   101   48.364   19.030   19.406   1.00   29.38   6       ATOM   805   C   ASN A   101   48.732   19.925   18.258   1.00   28.34   6       ATOM   806   O   ASN A   101   49.831   20.474   18.133   1.00   29.73   8       ATOM   807   CB   ASN A   101   49.573   18.111   19.726   1.00   32.63   6       ATOM   808   CG   ASN A   101   49.136   17.044   20.693   1.00   32.29   6       ATOM   809   OD1   ASN A   101   49.095   15.839   20.358   1.00   35.88   8       ATOM   810   ND2   ASN A   101   48.725   17.480   21.868   1.00   33.54   7       ATOM   811   N   GLY A   102   47.764   20.158   17.344   1.00   28.24   7       ATOM   812   CA   GLY A   102   48.018   20.969   16.192   1.00   28.54   6       ATOM   813   C   GLY A   102   48.572   20.122   15.054   1.00   28.73   6       ATOM   814   O   GLY A   102   48.848   18.918   15.212   1.00   28.80   8       ATOM   815   N   THR A   103   48.797   20.786   13.929   1.00   28.45   7       ATOM   816   CA   THR A   103   49.271   20.035   12.755   1.00   27.44   6       ATOM   817   C   THR A   103   50.751   20.121   12.584   1.00   27.75   6       ATOM   818   O   THR A   103   51.419   19.270   11.979   1.00   28.24   8       ATOM   819   CB   THR A   103   48.585   20.545   11.461   1.00   28.39   6       ATOM   820   OG1   THR A   103   49.011   21.911   11.287   1.00   29.31   8       ATOM   821   CG2   THR A   103   47.081   20.410   11.575   1.00   25.68   6       ATOM   822   N   GLU A   104   51.410   21.114   13.189   1.00   26.94   7       ATOM   823   CA   GLU A   104   52.843   21.274   12.953   1.00   30.65   6       ATOM   824   C   GLU A   104   53.682   20.149   13.572   1.00   27.87   6       ATOM   825   O   GLU A   104   54.755   19.902   13.010   1.00   30.98   8       ATOM   826   CB   GLU A   104   53.353   22.617   13.515   1.00   34.13   6       ATOM   827   CG   GLU A   104   52.613   23.746   12.784   1.00   40.22   6       ATOM   828   CD   GLU A   104   51.319   24.211   13.411   1.00   44.21   6       ATOM   829   OE1   GLU A   104   50.583   23.551   14.187   1.00   42.68   8       ATOM   830   OE2   GLU A   104   50.972   25.409   13.090   1.00   48.99   8       ATOM   831   N   THR A   105   53.210   19.618   14.686   1.00   24.87   7       ATOM   832   CA   THR A   105   54.112   18.554   15.230   1.00   25.37   6       ATOM   833   C   THR A   105   53.586   17.170   14.962   1.00   24.14   6       ATOM   834   O   THR A   105   54.100   16.162   15.504   1.00   23.64   8       ATOM   835   CB   THR A   105   54.301   18.763   16.735   1.00   24.29   6       ATOM   836   OG1   THR A   105   53.037   18.773   17.363   1.00   27.37   8       ATOM   837   CG2   THR A   105   55.020   20.098   16.999   1.00   27.01   6       ATOM   838   N   HIS A   106   52.456   17.094   14.251   1.00   22.37   7       ATOM   839   CA   HIS A   106   51.897   15.760   13.955   1.00   22.53   6       ATOM   840   C   HIS A   106   52.748   15.031   12.927   1.00   20.08   6       ATOM   841   O   HIS A   106   53.289   15.552   11.960   1.00   22.95   8       ATOM   842   CB   HIS A   106   50.457   15.962   13.432   1.00   20.21   6       ATOM   843   CG   HIS A   106   49.534   14.791   13.386   1.00   19.83   6       ATOM   844   ND1   HIS A   106   49.650   13.883   12.350   1.00   19.73   7       ATOM   845   CD2   HIS A   106   48.484   14.387   14.112   1.00   18.64   6       ATOM   846   CE1   HIS A   106   48.695   13.003   12.509   1.00   17.48   6       ATOM   847   NE2   HIS A   106   47.914   13.255   13.533   1.00   19.68   7       ATOM   848   N   THR A   107   52.772   13.689   13.062   1.00   21.05   7       ATOM   849   CA   THR A   107   53.466   12.840   12.117   1.00   20.53   6       ATOM   850   C   THR A   107   52.946   13.066   10.697   1.00   20.02   6       ATOM   851   O   THR A   107   51.730   13.301   10.684   1.00   20.34   8       ATOM   852   CB   THR A   107   53.232   11.366   12.525   1.00   21.22   6       ATOM   853   OG1   THR A   107   53.808   11.185   13.848   1.00   22.21   8       ATOM   854   CG2   THR A   107   53.856   10.364   11.540   1.00   21.83   6       ATOM   855   N   TYR A   108   53.769   13.113   9.699   1.00   20.01   7       ATOM   856   CA   TYR A   108   53.224   13.286   8.347   1.00   22.77   6       ATOM   857   C   TYR A   108   53.796   12.231   7.405   1.00   21.91   6       ATOM   858   O   TYR A   108   54.794   11.532   7.605   1.00   19.88   8       ATOM   859   CB   TYR A   108   53.505   14.695   7.860   1.00   23.51   6       ATOM   860   CG   TYR A   108   54.978   15.076   7.762   1.00   24.54   6       ATOM   861   CD1   TYR A   108   55.707   14.832   6.624   1.00   25.82   6       ATOM   862   CD2   TYR A   108   55.623   15.677   8.857   1.00   26.49   6       ATOM   863   CE1   TYR A   108   57.051   15.146   6.526   1.00   29.12   6       ATOM   864   CE2   TYR A   108   56.970   16.024   8.781   1.00   29.06   6       ATOM   865   CZ   TYR A   108   57.664   15.733   7.631   1.00   29.44   6       ATOM   866   OH   TYR A   108   58.995   16.072   7.478   1.00   32.47   8       ATOM   867   N   VAL A   109   53.052   12.125   6.280   1.00   19.53   7       ATOM   868   CA   VAL A   109   53.431   11.213   5.194   1.00   20.38   6       ATOM   869   C   VAL A   109   53.653   12.022   3.954   1.00   24.73   6       ATOM   870   O   VAL A   109   52.756   12.811   3.553   1.00   23.81   8       ATOM   871   CB   VAL A   109   52.263   10.230   4.964   1.00   20.04   6       ATOM   872   CG1   VAL A   109   52.619   9.362   3.731   1.00   23.57   6       ATOM   873   CG2   VAL A   109   51.946   9.420   6.209   1.00   17.72   6       ATOM   874   N   ASP A   110   54.753   11.885   3.237   1.00   25.18   7       ATOM   875   CA   ASP A   110   55.054   12.663   2.047   1.00   28.26   6       ATOM   876   C   ASP A   110   55.453   11.784   0.881   1.00   25.00   6       ATOM   877   O   ASP A   110   56.220   10.815   1.006   1.00   23.50   8       ATOM   878   CB   ASP A   110   56.199   13.596   2.383   1.00   34.46   6       ATOM   879   CG   ASP A   110   56.031   15.027   1.970   1.00   42.11   6       ATOM   880   CD1   ASP A   110   56.945   15.774   2.403   1.00   48.30   8       ATOM   881   OD2   ASP A   110   55.098   15.496   1.290   1.00   46.79   8       ATOM   882   N   VAL A   111   54.851   11.964   −0.272   1.00   24.14   7       ATOM   883   CA   VAL A   111   55.111   11.236   −1.493   1.00   23.80   6       ATOM   884   C   VAL A   111   56.023   12.085   −2.363   1.00   24.56   6       ATOM   885   O   VAL A   111   55.572   13.037   −3.027   1.00   25.12   5       ATOM   886   CB   VAL A   111   53.771   10.929   −2.218   1.00   23.25   6       ATOM   887   CG1   VAL A   111   54.020   10.068   −3.456   1.00   22.00   6       ATOM   888   CG2   VAL A   111   52.810   10.285   −1.246   1.00   22.35   6       ATOM   889   N   PRO A   112   57.278   11.687   −2.453   1.00   26.29   7       ATOM   890   CA   PRO A   112   58.274   12.438   −3.222   1.00   27.97   6       ATOM   891   C   PRO A   112   57.906   12.619   −4.650   1.00   30.72   6       ATOM   892   O   PRO A   112   57.272   11.711   −5.253   1.00   30.37   8       ATOM   893   CB   PRO A   112   59.532   11.573   −3.106   1.00   27.29   6       ATOM   894   CG   PRO A   112   59.413   10.926   −1.769   1.00   27.60   6       ATOM   895   CD   PRO A   112   57.905   10.536   −1.762   1.00   24.64   6       ATOM   896   N   GLY A   113   58.211   13.800   −5.209   1.00   30.68   7       ATOM   897   CA   GLY A   113   57.940   14.000   −6.614   1.00   32.72   6       ATOM   898   C   GLY A   113   56.543   14.464   −6.926   1.00   31.39   6       ATOM   899   O   GLY A   113   56.346   15.614   −7.280   1.00   30.61   8       ATOM   900   N   LEU A   114   55.558   13.575   −6.772   1.00   27.67   7       ATOM   901   CA   LEU A   114   54.192   13.922   −7.023   1.00   28.50   6       ATOM   902   C   LEU A   114   53.677   15.086   −6.186   1.00   29.37   6       ATOM   903   O   LEU A   114   52.810   15.829   −6.657   1.00   33.05   8       ATOM   904   CB   LEU A   114   53.283   12.710   −6.702   1.00   29.66   6       ATOM   905   CG   LEU A   114   53.515   11.551   −7.669   1.00   31.75   6       ATOM   906   CD1   LEU A   114   52.703   10.351   −7.233   1.00   31.73   6       ATOM   907   CD2   LEU A   114   53.134   11.977   −9.059   1.00   35.50   6       ATOM   908   N   SER A   115   54.161   15.180   −4.965   1.00   26.50   ?       ATOM   909   CA   SER A   115   53.664   16.206   −4.063   1.00   27.52   6       ATOM   910   C   SER A   115   54.245   17.582   −4.400   1.00   30.00   6       ATOM   911   O   SER A   115   53.590   18.536   −3.932   1.00   28.18   8       ATOM   912   CB   SER A   115   53.978   15.885   −2.599   1.00   25.46   6       ATOM   913   OG   SER A   115   55.407   15.846   −2.464   1.00   30.73   8       ATOM   914   N   THR A   116   55.312   17.617   −5.177   1.00   30.25   7       ATOM   915   CA   THR A   116   55.884   18.969   −5.426   1.00   32.64   ?       ATOM   916   C   THR A   116   55.854   19.345   −6.870   1.00   33.28   ?       ATOM   917   O   THR A   116   56.516   20.337   −7.260   1.00   37.48   ?       ATOM   918   CB   THR A   116   57.318   19.018   −4.839   1.00   31.68   ?       ATOM   919   OG1   THR A   116   58.066   17.923   −5.419   1.00   33.81   ?       ATOM   920   CG2   THR A   116   57.348   18.863   −3.344   1.00   30.91   ?       ATOM   921   N   MET A   117   55.075   18.691   −7.725   1.00   34.70   7       ATOM   922   CA   MET A   117   54.978   19.104   −9.116   1.00   36.76   6       ATOM   923   C   MET A   117   53.599   19.679   −9.408   1.00   35.12   6       ATOM   924   O   MET A   117   52.722   19.561   −8.569   1.00   34.04   8       ATOM   925   CB   MET A   117   55.258   17.952   −10.067   1.00   38.70   6       ATOM   926   CG   MET A   117   54.494   16.690   −9.707   1.00   41.51   6       ATOM   927   SD   MET A   117   55.327   15.244   −10.403   1.00   45.13   16       ATOM   928   CE   MET A   117   55.643   15.848   −12.065   1.00   43.90   6       ATOM   929   N   LEU A   118   53.449   20.272   −10.578   1.00   35.18   7       ATOM   930   CA   LEU A   118   52.173   20.846   −10.995   1.00   36.73   6       ATOM   931   C   LEU A   118   51.570   21.660   −9.877   1.00   36.48   6       ATOM   932   O   LEU A   118   52.236   22.552   −9.330   1.00   36.60   8       ATOM   933   CB   LEU A   118   51.252   19.706   −11.478   1.00   38.22   6       ATOM   934   CG   LEU A   118   51.872   18.829   −12.571   1.00   39.36   6       ATOM   935   CD1   LEU A   118   51.001   17.679   −13.051   1.00   41.36   6       ATOM   936   CD2   LEU A   118   52.194   19.710   −13.783   1.00   41.80   6       ATOM   937   N   GLU A   119   50.329   21.339   −9.481   1.00   38.80   7       ATOM   938   CA   GLU A   119   49.645   22.049   −8.411   1.00   37.83   6       ATOM   939   C   GLU A   119   50.401   22.088   −7.102   1.00   38.27   6       ATOM   940   O   GLU A   119   50.416   23.101   −6.393   1.00   38.36   8       ATOM   941   CB   GLU A   119   43.255   21.394   −8.141   1.00   41.10   6       ATOM   942   CG   GLU A   119   47.470   22.109   −7.049   1.00   41.69   6       ATOM   943   CD   GLU A   119   46.082   21.559   −6.784   1.00   44.93   6       ATOM   944   OE1   GLU A   119   45.654   20.593   −7.453   1.00   40.85   8       ATOM   945   OE2   GLU A   119   45.379   22.098   −5.892   1.00   45.21   8       ATOM   946   N   GLY A   120   51.165   21.031   −6.805   1.00   35.61   7       ATOM   947   CA   GLY A   120   51.945   20.951   −5.595   1.00   33.60   6       ATOM   948   C   GLY A   120   53.033   22.013   −5.540   1.00   34.42   6       ATOM   949   O   GLY A   120   53.390   22.405   −4.437   1.00   36.33   8       ATOM   950   N   ALA A   121   53.588   22.394   −6.677   1.00   35.01   7       ATOM   951   CA   ALA A   121   54.622   23.437   −6.741   1.00   35.93   6       ATOM   952   C   ALA A   121   54.069   24.789   −6.295   1.00   39.30   6       ATOM   953   O   ALA A   121   54.752   25.536   −5.588   1.00   40.98   8       ATOM   954   CB   ALA A   121   55.189   23.547   −8.150   1.00   32.29   6       ATOM   955   N   SER A   122   52.818   25.124   −6.644   1.00   41.40   7       ATOM   956   CA   SER A   122   52.261   26.415   −6.226   1.00   44.40   6       ATOM   957   C   SER A   122   51.626   26.354   −4.849   1.00   45.24   6       ATOM   958   O   SER A   122   51.056   27.328   −4.339   1.00   44.99   8       ATOM   959   CB   SER A   122   51.226   26.909   −7.241   1.00   45.02   6       ATOM   960   OG   SER A   122   50.178   25.972   −7.432   1.00   46.98   8       ATOM   961   N   ARG A   123   51.634   25.169   −4.197   1.00   45.65   7       ATOM   962   CA   ARG A   123   51.045   24.991   −2.876   1.00   44.81   6       ATOM   963   C   ARG A   123   51.908   24.083   −2.006   1.00   44.93   6       ATOM   964   O   ARG A   123   51.557   22.916   −1.788   1.00   44.88   8       ATOM   965   CB   ARG A   123   49.631   24.419   −2.992   1.00   45.81   6       ATOM   966   CG   ARG A   123   48.629   25.367   −3.630   1.00   46.85   6       ATOM   967   CD   ARG A   123   47.248   24.736   −3.714   1.00   50.24   6       ATOM   968   NE   ARG A   123   46.466   24.971   −2.504   1.00   52.21   7       ATOM   969   CZ   ARG A   123   45.271   24.437   −2.271   1.00   52.64   6       ATOM   970   NH1   ARG A   123   44.718   23.633   −3.169   1.00   52.96   7       ATOM   971   NH2   ARG A   123   44.633   24.708   −1.141   1.00   53.34   7       ATOM   972   N   PRO A   124   52.717   24.827   −1.604   1.00   44.27   7       ATOM   973   CA   PRO A   124   53.669   24.219   −0.725   1.00   43.54   6       ATOM   974   C   PRO A   124   53.075   23.501   0.473   1.00   43.43   6       ATOM   975   O   PRO A   124   52.427   24.264   1.223   1.00   44.21   8       ATOM   976   CB   PRO A   124   54.534   25.391   −0.224   1.00   43.61   6       ATOM   977   CG   PRO A   124   54.396   26.439   −1.257   1.00   44.17   6       ATOM   978   CD   PRO A   124   52.971   26.302   −1.746   1.00   44.92   6       ATOM   979   N   GLY A   125   53.248   21.897   0.840   1.00   39.19   7       ATOM   980   CA   GLY A   125   52.585   21.453   2.061   1.00   34.50   6       ATOM   981   C   GLY A   125   51.230   20.789   1.809   1.00   32.64   6       ATOM   982   O   GLY A   125   50.689   20.112   2.669   1.00   32.97   8       ATOM   983   N   HIS A   126   50.594   21.246   0.725   1.00   29.92   7       ATOM   984   CA   HIS A   126   49.259   20.776   0.381   1.00   29.41   6       ATOM   985   C   HIS A   126   49.186   19.276   0.256   1.00   29.27   6       ATOM   986   O   HIS A   126   48.500   18.637   1.071   1.00   29.29   8       ATOM   987   CB   HIS A   126   48.782   21.451   −0.934   1.00   29.82   6       ATOM   988   CG   HIS A   126   47.453   20.951   −1.417   1.00   30.87   6       ATOM   989   ND1   HIS A   126   46.254   21.263   −0.790   1.00   32.42   7       ATOM   990   CD2   HIS A   126   47.135   20.149   −2.435   1.00   30.12   6       ATOM   991   CE1   HIS A   126   45.274   20.643   −1.373   1.00   30.81   6       ATOM   992   NE2   HIS A   126   45.765   19.970   −2.384   1.00   33.87   7       ATOM   993   N   PHE A   127   49.882   18.662   −0.698   1.00   25.60   7       ATOM   994   CA   PHE A   127   49.770   17.232   −0.922   1.00   25.14   6       ATOM   995   C   PHE A   127   50.320   16.367   0.221   1.00   24.25   6       ATOM   996   O   PHE A   127   49.733   15.332   0.490   1.00   23.64   8       ATOM   997   CB   PHE A   127   50.454   16.851   −2.264   1.00   25.66   6       ATOM   998   CG   PHE A   127   49.518   17.250   −3.398   1.00   24.51   6       ATOM   999   CD1   PHE A   127   49.899   18.239   −4.302   1.00   25.76   6       ATOM   1000   CD2   PHE A   127   48.239   16.734   −3.509   1.00   26.77   6       ATOM   1001   CE1   PHE A   127   49.026   18.618   −5.301   1.00   27.57   6       ATOM   1002   CE2   PHE A   127   47.381   17.086   −4.518   1.00   27.77   6       ATOM   1003   CZ   PHE A   127   47.749   18.072   −5.444   1.00   28.09   6       ATOM   1004   N   ARG A   128   51.218   16.966   1.006   1.00   24.68   7       ATOM   1005   CA   ARG A   128   51.645   16.377   2.261   1.00   23.44   6       ATOM   1006   C   ARG A   128   50.408   16.283   3.155   1.00   21.06   6       ATOM   1007   O   ARG A   128   50.190   15.299   3.852   1.00   22.12   8       ATOM   1008   CB   ARG A   128   52.743   17.172   2.975   1.00   26.43   6       ATOM   1009   CG   ARG A   128   53.051   16.644   4.371   1.00   28.47   6       ATOM   1010   CD   ARG A   128   54.116   17.508   5.117   1.00   27.86   6       ATOM   1011   NE   ARG A   128   55.345   17.336   4.336   1.00   31.98   7       ATOM   1012   CZ   ARG A   123   56.526   17.872   4.699   1.00   36.93   6       ATOM   1013   NH1   ARG A   128   55.631   18.561   5.825   1.00   34.28   7       ATOM   1014   NH2   ARG A   128   57.586   17.630   3.912   1.00   38.42   7       ATOM   1015   N   GLY A   129   49.588   17.337   3.161   1.00   21.21   7       ATOM   1016   CA   GLY A   129   48.391   17.274   4.018   1.00   21.01   6       ATOM   1017   C   GLY A   129   47.468   16.152   3.484   1.00   21.29   6       ATOM   1018   O   GLY A   129   46.782   15.601   4.321   1.00   21.30   8       ATOM   1019   N   VAL A   130   47.317   16.084   2.166   1.00   21.70   7       ATOM   1020   CA   VAL A   130   46.441   15.028   1.634   1.00   21.40   6       ATOM   1021   C   VAL A   130   46.908   13.587   1.970   1.00   20.52   6       ATOM   1022   O   VAL A   130   46.140   12.807   2.542   1.00   19.78   8       ATOM   1023   CB   VAL A   130   46.256   15.179   0.107   1.00   22.23   6       ATOM   1024   CG1   VAL A   130   45.496   13.992   −0.479   1.00   22.29   6       ATOM   1025   CG2   VAL A   130   45.587   16.550   −0.161   1.00   22.53   6       ATOM   1026   N   SER A   131   48.184   13.286   1.709   1.00   22.62   7       ATOM   1027   CA   SER A   131   48.669   11.951   2.032   1.00   22.39   6       ATOM   1028   C   SER A   131   48.617   11.685   3.541   1.00   20.26   6       ATOM   1029   O   SER A   131   48.328   10.545   3.924   1.00   22.14   8       ATOM   1030   CB   SER A   131   50.095   11.641   1.549   1.00   22.52   6       ATOM   1031   OG   SER A   131   50.924   12.773   1.784   1.00   24.21   8       ATOM   1032   N   THR A   132   48.883   12.678   4.393   1.00   17.99   7       ATOM   1033   CA   THR A   132   48.785   12.419   5.812   1.00   17.46   6       ATOM   1034   C   THR A   132   47.375   12.119   6.296   1.00   17.48   6       ATOM   1035   O   THR A   132   47.180   11.104   7.013   1.00   17.25   8       ATOM   1036   CB   THR A   132   49.386   13.645   6.619   1.00   17.40   6       ATOM   1037   OG1   THR A   132   50.726   13.812   6.145   1.00   20.91   8       ATOM   1038   CG2   THR A   132   49.302   13.374   8.096   1.00   18.97   6       ATOM   1039   N   ILE A   133   46.378   12.918   5.840   1.00   17.51   7       ATOM   1040   CA   ILE A   133   45.048   12.635   6.366   1.00   17.42   6       ATOM   1041   C   ILE A   133   44.514   11.317   5.727   1.00   17.76   6       ATOM   1042   O   ILE A   133   43.831   10.598   6.432   1.00   16.73   8       ATOM   1043   CB   ILE A   133   44.056   13.814   6.199   1.00   19.04   6       ATOM   1044   CG1   ILE A   133   42.772   13.574   6.991   1.00   18.12   6       ATOM   1045   CG2   ILE A   133   43.692   14.007   4.713   1.00   19.62   6       ATOM   1046   CD1   ILE A   133   43.077   13.562   8.543   1.00   19.23   6       ATOM   1047   N   VAL A   134   44.834   11.013   4.468   1.00   20.06   7       ATOM   1048   CA   VAL A   134   44.318   9.805   3.843   1.00   20.66   6       ATOM   1049   C   VAL A   134   44.943   8.567   4.523   1.00   16.68   6       ATOM   1050   O   VAL A   134   44.181   7.608   4.840   1.00   16.16   8       ATOM   1051   CB   VAL A   134   44.556   9.769   2.329   1.00   20.12   6       ATOM   1052   CG1   VAL A   134   43.968   8.529   1.685   1.00   20.31   6       ATOM   1053   CG2   VAL A   134   43.953   11.019   1.680   1.00   21.96   6       ATOM   1054   N   SER A   135   46.232   8.622   4.793   1.00   17.42   7       ATOM   1055   CA   SER A   135   46.862   7.515   5.554   1.00   18.57   6       ATOM   1056   C   SER A   135   46.167   7.337   6.870   1.00   18.10   6       ATOM   1057   O   SER A   135   45.906   6.226   7.307   1.00   17.58   8       ATOM   1058   CB   SER A   135   48.367   7.725   5.776   1.00   21.85   6       ATOM   1059   OG   SER A   135   49.165   7.574   4.629   1.00   26.07   8       ATOM   1060   N   LYS A   136   45.960   8.454   7.642   1.00   17.06   7       ATOM   1061   CA   LYS A   136   45.344   8.319   8.939   1.00   16.75   6       ATOM   1062   C   LYS A   136   43.943   7.726   8.855   1.00   16.59   6       ATOM   1063   O   LYS A   136   43.549   6.804   9.565   1.00   17.77   8       ATOM   1064   CB   LYS A   136   45.347   9.698   9.654   1.00   17.50   6       ATOM   1065   CG   LYS A   136   44.778   9.658   11.055   1.00   17.92   6       ATOM   1066   CD   LYS A   136   45.193   10.949   11.821   1.00   18.19   6       ATOM   1067   CE   LYS A   136   44.719   10.824   13.255   1.00   20.47   6       ATOM   1068   NZ   LYS A   136   45.341   11.921   14.099   1.00   21.74   7       ATOM   1069   N   LEU A   137   43.114   8.215   7.905   1.00   16.58   7       ATOM   1070   CA   LEU A   137   41.820   7.610   7.620   1.00   16.97   6       ATOM   1071   C   LEU A   137   41.917   6.145   7.208   1.00   16.87   6       ATOM   1072   O   LEU A   137   41.086   5.366   7.671   1.00   18.31   8       ATOM   1073   CB   LEU A   137   41.186   8.426   6.450   1.00   16.26   6       ATOM   1074   CG   LEU A   137   40.680   9.774   6.970   1.00   19.05   6       ATOM   1075   CD1   LEU A   137   40.287   10.582   5.686   1.00   19.51   6       ATOM   1076   CD2   LEU A   137   39.540   9.723   7.939   1.00   20.72   6       ATOM   1077   N   PHE A   138   42.967   5.788   6.451   1.00   16.58   7       ATOM   1078   CA   PHE A   138   43.010   4.341   6.127   1.00   18.39   6       ATOM   1079   C   PHE A   138   43.255   3.486   7.348   1.00   18.60   6       ATOM   1080   O   PHE A   138   42.757   2.384   7.504   1.00   17.30   8       ATOM   1081   CB   PHE A   138   44.122   4.115   5.093   1.00   17.12   6       ATOM   1082   CG   PHE A   138   43.764   4.570   3.689   1.00   18.73   6       ATOM   1083   CD1   PHE A   138   44.806   4.543   2.766   1.00   17.88   6       ATOM   1084   CD2   PHE A   138   42.473   4.892   3.307   1.00   18.91   6       ATOM   1085   CE1   PHE A   138   44.536   4.879   1.448   1.00   20.01   6       ATOM   1086   CE2   PHE A   138   42.230   5.257   1.997   1.00   19.56   6       ATOM   1087   CZ   PHE A   138   43.254   5.215   1.074   1.00   19.96   6       ATOM   1088   N   ASN A   139   44.082   4.007   8.264   1.00   18.42   7       ATOM   1089   CA   ASN A   139   44.379   3.252   9.498   1.00   18.84   6       ATOM   1090   C   ASN A   139   43.214   3.179   10.420   1.00   18.89   6       ATOM   1091   O   ASN A   139   43.006   2.188   11.154   1.00   20.77   8       ATOM   1092   CB   ASN A   139   45.584   3.896   10.226   1.00   18.65   6       ATOM   1093   CG   ASN A   139   46.893   3.695   9.486   1.00   21.58   6       ATOM   1094   OD1   ASN A   139   47.077   2.678   8.835   1.00   23.27   8       ATOM   1095   ND2   ASN A   139   47.838   4.616   9.605   1.00   23.11   7       ATOM   1096   N   LEU A   140   42.380   4.245   10.477   1.00   18.73   7       ATOM   1097   CA   LEU A   140   41.227   4.287   11.337   1.00   19.89   6       ATOM   1098   C   LEU A   140   40.035   3.500   10.798   1.00   22.66   6       ATOM   1099   O   LEU A   140   39.348   2.886   11.581   1.00   23.40   8       ATOM   1100   CB   LEU A   140   40.725   5.736   11.530   1.00   19.74   6       ATOM   1101   CG   LEU A   140   41.667   6.734   12.211   1.00   20.69   6       ATOM   1102   CD1   LEU A   140   41.159   8.189   12.222   1.00   20.47   6       ATOM   1103   CD2   LEU A   140   41.923   6.357   13.687   1.00   21.82   6       ATOM   1104   N   VAL A   141   39.777   3.644   9.493   1.00   21.89   7       ATOM   1105   CA   VAL A   141   38.625   2.951   8.912   1.00   18.58   6       ATOM   1106   C   VAL A   141   38.930   1.566   8.477   1.00   18.27   6       ATOM   1107   O   VAL A   141   37.992   0.726   8.348   1.00   21.83   8       ATOM   1108   CB   VAL A   141   38.121   3.897   7.749   1.00   17.89   6       ATOM   1109   CG1   VAL A   141   37.004   3.204   6.948   1.00   19.45   6       ATOM   1110   CG2   VAL A   141   37.684   5.229   8.360   1.00   19.31   6       ATOM   1111   N   GLN A   142   40.157   1.207   8.147   1.00   19.32   7       ATOM   1112   CA   GLN A   142   40.614   −0.046   7.611   1.00   22.31   6       ATOM   1113   C   GLN A   142   39.731   −0.535   6.460   1.00   19.60   6       ATOM   1114   O   GLN A   142   39.182   −1.647   6.518   1.00   20.68   8       ATOM   1115   CB   GLN A   142   40.661   −1.162   8.674   1.00   23.95   6       ATOM   1116   CG   GLN A   142   41.594   −0.685   9.829   1.00   28.73   6       ATOM   1117   CD   GLN A   142   41.536   −1.705   10.951   1.00   34.39   6       ATOM   1118   OE1   GLN A   142   42.491   −2.469   11.021   1.00   39.24   8       ATOM   1119   NE2   GLN A   142   40.502   −1.784   11.754   1.00   35.26   7       ATOM   1120   N   PRO A   143   39.558   0.297   5.442   1.00   18.88   7       ATOM   1121   CA   PRO A   143   38.717   −0.119   4.346   1.00   18.57   6       ATOM   1122   C   PRO A   143   39.398   −1.140   3.497   1.00   19.27   6       ATOM   1123   O   PRO A   143   40.627   −1.225   3.382   1.00   21.22   8       ATOM   1124   CB   PRO A   143   38.538   1.179   3.558   1.00   17.81   6       ATOM   1125   CG   PRO A   143   39.829   1.905   3.755   1.00   17.73   6       ATOM   1126   CD   PRO A   143   40.201   1.627   5.230   1.00   17.54   6       ATOM   1127   N   ASP A   144   38.648   −1.982   2.768   1.00   17.55   7       ATOM   1128   CA   ASP A   144   39.097   −2.852   1.720   1.00   20.28   6       ATOM   1129   C   ASP A   144   39.283   −2.125   0.399   1.00   19.25   6       ATOM   1130   O   ASP A   144   40.083   −2.459   −0.481   1.00   20.98   8       ATOM   1131   CB   ASP A   144   38.033   −3.936   1.546   1.00   20.76   6       ATOM   1132   CG   ASP A   144   37.957   −4.815   2.798   1.00   26.72   6       ATOM   1133   OD1   ASP A   144   36.961   −4.629   3.528   1.00   28.28   8       ATOM   1134   OD2   ASP A   144   38.895   −5.587   3.031   1.00   31.50   8       ATOM   1135   N   ILE A   145   38.477   −1.081   0.131   1.00   17.25   7       ATOM   1136   CA   ILE A   145   38.375   −0.260   −1.035   1.00   18.60   6       ATOM   1137   C   ILE A   145   38.239   1.190   −0.687   1.00   18.09   6       ATOM   1138   O   ILE A   145   37.607   1.491   0.327   1.00   18.47   8       ATOM   1139   CB   ILE A   145   37.081   −0.719   −1.802   1.00   22.13   6       ATOM   1140   CG1   ILE A   145   37.350   −2.164   −2.291   1.00   26.63   6       ATOM   1141   CG2   ILE A   145   36.613   0.193   −2.934   1.00   28.58   6       ATOM   1142   CD1   ILE A   145   35.987   −2.820   −2.537   1.00   33.01   6       ATOM   1143   N   ALA A   146   38.745   2.119   −1.471   1.00   18.54   7       ATOM   1144   CA   ALA A   146   38.555   3.525   −1.287   1.00   17.65   6       ATOM   1145   C   ALA A   146   38.386   4.174   −2.669   1.00   18.82   6       ATOM   1146   O   ALA A   146   39.158   3.831   −3.590   1.00   20.86   8       ATOM   1147   CB   ALA A   146   39.754   4.169   −0.561   1.00   17.02   6       ATOM   1148   N   CYS A   147   37.421   5.032   −2.758   1.00   17.39   7       ATOM   1149   CA   CYS A   147   37.059   5.669   −4.042   1.00   19.79   6       ATOM   1150   C   CYS A   147   37.462   7.132   −4.108   1.00   20.20   6       ATOM   1151   O   CYS A   147   37.292   7.934   −3.181   1.00   20.69   8       ATOM   1152   CB   CYS A   147   35.534   5.576   −4.235   1.00   21.84   6       ATOM   1153   SG   CYS A   147   34.881   3.895   −4.275   1.00   25.91   16       ATOM   1154   N   PHE A   148   38.073   7.481   −5.256   1.00   20.78   7       ATOM   1155   CA   PHE A   148   38.521   8.824   −5.534   1.00   20.56   6       ATOM   1156   C   PHE A   148   38.105   9.201   −6.955   1.00   20.31   6       ATOM   1157   O   PHE A   148   38.047   8.291   −7.790   1.00   21.33   8       ATOM   1158   CB   PHE A   148   40.044   8.856   −5.392   1.00   19.98   6       ATOM   1159   CG   PHE A   148   40.527   8.697   −3.964   1.00   21.76   6       ATOM   1160   CD1   PHE A   148   40.803   7.418   −3.472   1.00   21.62   6       ATOM   1161   CD2   PHE A   148   40.682   9.781   −3.137   1.00   24.08   6       ATOM   1162   CE1   PHE A   148   41.217   7.237   −2.164   1.00   21.64   6       ATOM   1163   CE2   PHE A   148   41.150   9.580   −1.833   1.00   22.23   6       ATOM   1164   CZ   PHE A   148   41.384   8.321   −1.337   1.00   21.48   6       ATOM   1165   N   GLY A   149   37.874   10.485   −7.215   1.00   19.66   7       ATOM   1166   CA   GLY A   149   37.457   10.782   −8.630   1.00   19.28   6       ATOM   1167   C   GLY A   149   38.663   10.981   −9.537   1.00   21.16   6       ATOM   1168   O   GLY A   149   39.696   11.548   −9.117   1.00   25.03   8       ATOM   1169   N   GLU A   150   38.524   10.707   −10.848   1.00   21.70   7       ATOM   1170   CA   GLU A   150   39.588   10.939   −11.809   1.00   25.98   6       ATOM   1171   C   GLU A   150   39.777   12.386   −12.160   1.00   25.10   6       ATOM   1172   O   GLU A   150   40.841   12.764   −12.668   1.00   26.55   8       ATOM   1173   CB   GLU A   150   39.316   10.178   −13.146   1.00   28.34   6       ATOM   1174   CG   GLU A   150   39.447   8.683   −12.924   1.00   30.38   6       ATOM   1175   CD   GLU A   150   39.464   7.923   −14.241   1.00   36.75   6       ATOM   1176   OE1   GLU A   150   39.222   8.536   −15.309   1.00   39.43   8       ATOM   1177   OE2   GLU A   150   39.770   6.715   −14.171   1.00   39.37   8       ATOM   1178   N   LYS A   151   38.795   13.240   −11.874   1.00   25.17   7       ATOM   1179   CA   LYS A   151   38.970   14.660   −12.162   1.00   28.17   6       ATOM   1180   C   LYS A   151   40.159   15.229   −11.400   1.00   29.47   6       ATOM   1181   O   LYS A   151   40.955   16.017   −11.930   1.00   29.69   8       ATOM   1182   CB   LYS A   151   37.710   15.423   −11.787   1.00   30.49   6       ATOM   1183   CG   LYS A   151   37.865   16.877   −12.255   1.00   34.63   6       ATOM   1184   CD   LYS A   151   37.021   17.827   −11.434   1.00   40.81   6       ATOM   1185   CE   LYS A   151   37.161   19.249   −12.007   1.00   42.71   6       ATOM   1186   NZ   LYS A   151   35.905   20.032   −11.825   1.00   46.87   7       ATOM   1187   N   ASP A   152   40.274   14.877   −10.114   1.00   26.84   7       ATOM   1188   CA   ASP A   152   41.456   15.268   −9.322   1.00   26.83   6       ATOM   1189   C   ASP A   152   42.545   14.241   −9.529   1.00   26.30   6       ATOM   1190   O   ASP A   152   42.933   13.366   −8.715   1.00   24.28   8       ATOM   1191   CB   ASP A   152   41.078   15.419   −7.846   1.00   29.39   6       ATOM   1192   N   PHE A   153   43.137   14.340   −10.746   1.00   24.76   7       ATOM   1193   CA   PHE A   153   44.063   13.342   −11.241   1.00   24.28   6       ATOM   1194   C   PHE A   153   45.350   13.353   −10.435   1.00   24.40   6       ATOM   1195   O   PHE A   153   45.891   12.270   −10.274   1.00   24.91   8       ATOM   1196   CB   PHE A   153   44.385   13.509   −12.748   1.00   26.30   6       ATOM   1197   CG   PHE A   153   45.137   14.809   −12.939   1.00   29.67   6       ATOM   1198   CD1   PHE A   153   46.517   14.828   −13.025   1.00   30.48   6       ATOM   1199   CD2   PHE A   153   44.443   16.015   −13.033   1.00   32.69   6       ATOM   1200   CE1   PHE A   153   47.203   16.017   −13.147   1.00   31.59   6       ATOM   1201   CE2   PHE A   153   45.124   17.212   −13.186   1.00   33.09   6       ATOM   1202   CZ   PHE A   153   46.511   17.215   −13.241   1.00   34.20   6       ATOM   1203   N   GLN A   154   45.781   14.510   −9.931   1.00   25.98   7       ATOM   1204   CA   GLN A   154   47.028   14.521   −9.174   1.00   22.85   6       ATOM   1205   C   GLN A   154   46.851   13.825   −7.837   1.00   22.38   6       ATOM   1206   O   GLN A   154   47.695   13.032   −7.413   1.00   22.53   8       ATOM   1207   CB   GLN A   154   47.542   15.952   −8.933   1.00   24.08   6       ATOM   1208   CG   GLN A   154   48.929   15.967   −8.287   1.00   26.39   6       ATOM   1209   CD   GLN A   154   49.688   17.287   −8.508   1.00   28.37   6       ATOM   1210   OE1   GLN A   154   49.098   18.244   −8.993   1.00   28.49   8       ATOM   1211   NE2   GLN A   154   50.978   17.318   −8.158   1.00   26.87   7       ATOM   1212   N   GLN A   155   45.747   14.096   −7.174   1.00   21.22   7       ATOM   1213   CA   GLN A   155   45.470   13.411   −5.896   1.00   21.76   6       ATOM   1214   C   GLN A   155   45.362   11.902   −6.092   1.00   21.39   6       ATOM   1215   O   GLN A   155   45.852   11.100   −5.289   1.00   20.96   8       ATOM   1216   CB   GLN A   155   44.157   13.885   −5.251   1.00   23.33   6       ATOM   1217   CG   GLN A   155   44.285   15.020   −4.241   0.50   22.16   6       ATOM   1218   CD   GLN A   155   43.185   14.991   −3.184   0.50   22.84   6       ATOM   1219   OE1   GLN A   155   42.574   13.952   −2.872   0.50   25.23   8       ATOM   1220   NE2   GLN A   155   42.921   16.140   −2.600   0.50   20.85   7       ATOM   1221   N   LEU A   156   44.752   11.455   −7.214   1.00   20.25   7       ATOM   1222   CA   LEU A   156   44.592   10.045   −7.465   1.00   18.93   6       ATOM   1223   C   LEU A   156   45.938   9.367   −7.681   1.00   20.91   6       ATOM   1224   O   LEU A   156   46.240   8.334   −7.081   1.00   20.99   8       ATOM   1225   CB   LEU A   156   43.684   9.840   −8.695   1.00   20.06   6       ATOM   1226   CG   LEU A   156   43.409   8.396   −9.060   1.00   21.79   6       ATOM   1227   CD1   LEU A   156   42.773   7.624   −7.893   1.00   20.19   6       ATOM   1228   CD2   LEU A   156   42.493   8.367   −10.300   1.00   23.41   6       ATOM   1229   N   ALA A   157   46.790   9.991   −8.498   1.00   21.27   7       ATOM   1230   CA   ALA A   157   48.139   9.424   −8.654   1.00   20.85   6       ATOM   1231   C   ALA A   157   48.896   9.402   −7.339   1.00   22.15   6       ATOM   1232   O   ALA A   157   49.617   8.451   −7.039   1.00   23.09   8       ATOM   1233   CB   ALA A   157   48.919   10.292   −9.658   1.00   21.65   6       ATOM   1234   N   LEU A   158   48.771   10.447   −6.537   1.00   21.63   7       ATOM   1235   CA   LEU A   158   49.507   10.508   −5.235   1.00   20.79   6       ATOM   1236   C   LEU A   158   49.117   9.373   −4.311   1.00   22.51   6       ATOM   1237   O   LEU A   158   49.950   8.663   −3.702   1.00   22.35   8       ATOM   1238   CB   LEU A   158   49.227   11.847   −4.583   1.00   23.18   6       ATOM   1239   CG   LEU A   158   49.828   12.175   −3.211   1.00   25.19   6       ATOM   1240   CD1   LEU A   158   51.099   12.952   −3.381   1.00   28.19   6       ATOM   1241   CD2   LEU A   158   48.782   12.989   −2.433   1.00   26.28   6       ATOM   1242   N   ILE A   159   47.765   9.231   −4.212   1.00   18.01   7       ATOM   1243   CA   ILE A   159   47.322   8.127   −3.317   1.00   19.99   6       ATOM   1244   C   ILE A   159   47.680   6.760   −3.864   1.00   18.66   6       ATOM   1245   O   ILE A   159   48.038   5.871   −3.083   1.00   19.24   8       ATOM   1246   CB   ILE A   159   45.805   8.275   −3.083   1.00   23.08   6       ATOM   1247   CG1   ILE A   159   45.455   9.626   −2.443   1.00   21.73   6       ATOM   1248   CG2   ILE A   159   45.232   7.181   −2.187   1.00   23.20   6       ATOM   1249   CD1   ILE A   159   46.056   9.774   −1.063   1.00   27.28   6       ATOM   1250   N   ARG A   160   47.514   6.493   −5.148   1.00   20.78   7       ATOM   1251   CA   ARG A   160   47.956   5.202   −5.694   1.00   20.24   6       ATOM   1252   C   ARG A   160   49.422   4.914   −5.397   1.00   21.57   6       ATOM   1253   O   ARG A   160   49.738   3.802   −4.971   1.00   19.80   8       ATOM   1254   CB   ARG A   160   47.708   5.074   −7.218   1.00   21.86   6       ATOM   1255   CG   ARG A   160   46.192   5.007   −7.567   1.00   21.60   6       ATOM   1256   CD   ARG A   160   46.195   4.575   −9.066   1.00   25.76   6       ATOM   1257   NE   ARG A   160   44.867   4.625   −9.678   1.00   29.84   7       ATOM   1258   CZ   ARG A   160   43.905   3.713   −9.455   1.00   32.53   6       ATOM   1259   NH1   ARG A   160   44.040   2.653   −8.651   1.00   32.58   7       ATOM   1260   NH2   ARG A   160   42.788   3.911   −10.168   1.00   34.80   7       ATOM   1261   N   LYS A   161   50.322   5.905   −5.460   1.00   20.74   7       ATOM   1262   CA   LYS A   161   51.733   5.714   −5.164   1.00   19.39   6       ATOM   1263   C   LYS A   161   51.925   5.506   −3.674   1.00   19.31   6       ATOM   1264   O   LYS A   161   52.628   4.596   −3.191   1.00   22.15   8       ATOM   1265   CB   LYS A   161   52.523   6.929   −5.649   1.00   21.10   6       ATOM   1266   CG   LYS A   161   54.009   6.900   −5.202   1.00   24.79   6       ATOM   1267   CD   LYS A   161   54.612   5.615   −5.820   1.00   28.31   6       ATOM   1268   CE   LYS A   161   56.100   5.758   −6.162   1.00   31.56   6       ATOM   1269   NZ   LYS A   161   56.913   6.424   −5.128   1.00   26.44   7       ATOM   1270   N   MET A   162   51.191   6.312   −2.834   1.00   20.30   7       ATOM   1271   CA   MET A   162   51.287   6.115   −1.383   1.00   18.85   6       ATOM   1272   C   MET A   162   50.851   4.750   −0.908   1.00   21.35   6       ATOM   1273   O   MET A   162   51.504   4.085   −0.089   1.00   20.93   8       ATOM   1274   CB   MET A   162   50.412   7.231   −0.702   1.00   21.14   6       ATOM   1275   CG   MET A   162   50.512   7.132   0.818   1.00   21.47   6       ATOM   1276   SD   MET A   162   49.291   8.186   1.642   1.00   23.59   16       ATOM   1277   CE   MET A   162   47.948   6.994   1.780   1.00   27.52   6       ATOM   1278   N   VAL A   163   49.808   4.217   −1.577   1.00   19.66   7       ATOM   1279   CA   VAL A   163   49.304   2.897   −1.214   1.00   20.50   6       ATOM   1280   C   VAL A   163   50.289   1.806   −1.612   1.00   19.37   6       ATOM   1281   O   VAL A   163   50.554   0.867   −0.837   1.00   20.07   8       ATOM   1282   CB   VAL A   163   47.914   2.672   −1.873   1.00   21.79   6       ATOM   1283   CG1   VAL A   163   47.540   1.204   −1.894   1.00   22.15   6       ATOM   1284   CG2   VAL A   163   46.897   3.536   −1.100   1.00   22.77   6       ATOM   1285   N   ALA A   164   50.784   1.931   −2.837   1.00   21.03   7       ATOM   1286   CA   ALA A   164   51.773   0.937   −3.276   1.00   22.98   6       ATOM   1287   C   ALA A   164   53.006   0.925   −2.380   1.00   23.44   6       ATOM   1288   O   ALA A   164   53.478   −0.126   −1.927   1.00   23.96   8       ATOM   1289   CB   ALA A   164   52.136   1.263   −4.719   1.00   23.95   6       ATOM   1290   N   ASP A   165   53.552   2.121   −2.154   1.00   21.54   7       ATOM   1291   CA   ASP A   165   54.788   2.231   −1.387   1.00   23.74   6       ATOM   1292   C   ASP A   165   54.639   1.784   0.052   1.00   24.26   6       ATOM   1293   O   ASP A   165   55.440   1.000   0.544   1.00   24.84   8       ATOM   1294   CB   ASP A   165   55.321   3.664   −1.384   1.00   22.61   6       ATOM   1295   CG   ASP A   165   55.980   4.130   −2.662   1.00   24.69   6       ATOM   1296   OD1   ASP A   165   56.269   3.286   −3.531   1.00   24.19   8       ATOM   1297   OD2   ASP A   165   56.220   5.356   −2.781   1.00   24.88   8       ATOM   1298   N   MET A   166   53.590   2.288   0.725   1.00   21.43   7       ATOM   1299   CA   MET A   166   53.378   2.007   2.157   1.00   20.10   6       ATOM   1300   C   MET A   166   52.785   0.652   2.486   1.00   21.04   6       ATOM   1301   O   MET A   166   52.605   0.347   3.671   1.00   21.28   8       ATOM   1302   CB   MET A   166   52.540   3.142   2.751   1.00   20.75   6       ATOM   1303   CG   MET A   166   53.288   4.458   2.868   1.00   22.14   6       ATOM   1304   SD   MET A   166   55.034   4.259   3.242   1.00   26.84   16       ATOM   1305   CE   MET A   166   54.959   3.835   4.983   1.00   27.47   6       ATOM   1306   N   GLY A   167   52.458   −0.170   1.510   1.00   20.03   7       ATOM   1307   CA   GLY A   167   51.975   −1.522   1.790   1.00   22.00   6       ATOM   1308   C   GLY A   167   50.526   −1.606   2.218   1.00   20.49   6       ATOM   1309   O   GLY A   167   50.190   −2.660   2.782   1.00   24.46   8       ATOM   1310   N   PHE A   168   49.685   −0.585   2.002   1.00   21.54   7       ATOM   1311   CA   PHE A   168   48.287   −0.824   2.403   1.00   20.47   6       ATOM   1312   C   PHE A   168   47.645   −1.917   1.546   1.00   19.05   6       ATOM   1313   O   PHE A   168   47.704   −1.739   0.320   1.00   20.71   8       ATOM   1314   CB   PHE A   168   47.563   0.509   2.296   1.00   21.24   6       ATOM   1315   CG   PHE A   168   47.788   1.632   3.277   1.00   20.78   6       ATOM   1316   CD1   PHE A   168   48.548   2.751   2.932   1.00   22.23   6       ATOM   1317   CD2   PHE A   168   47.186   1.509   4.509   1.00   21.78   6       ATOM   1318   CE1   PHE A   168   48.736   3.747   3.913   1.00   20.66   6       ATOM   1319   CE2   PHE A   168   47.353   2.544   5.432   1.00   19.66   6       ATOM   1320   CZ   PHE A   168   48.085   3.665   5.136   1.00   20.15   6       ATOM   1321   N   ASP A   169   46.769   −2.693   2.126   1.00   22.42   7       ATOM   1322   CA   ASP A   169   46.084   −3.767   1.356   1.00   22.89   6       ATOM   1323   C   ASP A   169   44.743   −3.167   0.938   1.00   23.53   6       ATOM   1324   O   ASP A   169   43.705   −3.617   1.427   1.00   23.13   8       ATOM   1325   CB   ASP A   169   45.975   −5.057   2.147   1.00   28.05   6       ATOM   1326   CG   ASP A   169   45.399   −6.229   1.376   1.00   32.61   6       ATOM   1327   OD1   ASP A   169   45.492   −6.192   0.129   1.00   35.09   8       ATOM   1328   OD2   ASP A   169   44.838   −7.159   1.975   1.00   37.69   8       ATOM   1329   N   ILE A   170   44.751   −2.104   0.146   1.00   21.02   7       ATOM   1330   CA   ILE A   170   43.499   −1.409   −0.181   1.00   21.69   6       ATOM   1331   C   ILE A   170   43.372   −1.265   −1.677   1.00   21.49   6       ATOM   1332   O   ILE A   170   44.334   −0.773   −2.304   1.00   22.63   8       ATOM   1333   CB   ILE A   170   43.443   −0.013   0.493   1.00   21.71   6       ATOM   1334   CD1   ILE A   170   43.459   −0.124   2.030   1.00   21.39   6       ATOM   1335   CG2   ILE A   170   42.221   0.770   0.037   1.00   22.28   6       ATOM   1336   CD1   ILE A   170   43.745   1.240   2.694   1.00   23.40   6       ATOM   1337   N   GLU A   171   42.206   −1.583   −2.244   1.00   22.35   7       ATOM   1338   CA   GLU A   171   41.960   −1.346   −3.656   1.00   22.51   6       ATOM   1339   C   GLU A   171   41.609   0.133   −3.871   1.00   22.05   6       ATOM   1340   O   GLU A   171   40.625   0.577   −3.278   1.00   20.97   8       ATOM   1341   CB   GLU A   171   40.841   −2.288   −4.152   1.00   21.82   6       ATOM   1342   CG   GLU A   171   40.514   −1.978   −5.601   1.00   28.71   6       ATOM   1343   CD   GLU A   171   39.364   −2.857   −6.098   1.00   34.21   6       ATOM   1344   OE1   GLU A   171   38.911   −3.740   −5.361   1.00   36.00   8       ATOM   1345   OE2   GLU A   171   38.953   −2.650   −7.272   1.00   38.31   8       ATOM   1346   N   ILE A   172   42.352   0.886   −4.680   1.00   20.37   7       ATOM   1347   CA   ILE A   172   42.017   2.294   −4.940   1.00   19.10   6       ATOM   1348   C   ILE A   172   41.196   2.347   −6.217   1.00   23.26   6       ATOM   1349   O   ILE A   172   41.716   1.875   −7.239   1.00   26.08   8       ATOM   1350   CB   ILE A   172   43.306   3.159   −5.019   1.00   22.26   6       ATOM   1351   CG1   ILE A   172   44.060   2.969   −3.686   1.00   21.42   6       ATOM   1352   CG2   ILE A   172   42.975   4.587   −5.345   1.00   23.49   6       ATOM   1353   CD1   ILE A   172   43.283   3.498   −2.483   1.00   22.09   6       ATOM   1354   N   VAL A   173   39.937   2.751   −6.114   1.00   20.87   7       ATOM   1355   CA   VAL A   173   39.045   2.789   −7.278   1.00   23.09   6       ATOM   1356   C   VAL A   173   39.073   4.218   −7.811   1.00   23.54   6       ATOM   1357   O   VAL A   173   38.637   5.125   −7.058   1.00   23.05   8       ATOM   1358   CB   VAL A   173   37.637   2.318   −6.861   1.00   22.84   6       ATOM   1359   CG1   VAL A   173   36.675   2.449   −8.040   1.00   24.23   6       ATOM   1360   CG2   VAL A   173   37.756   0.893   −6.307   1.00   23.19   6       ATOM   1361   N   GLY A   174   39.480   4.451   −9.055   1.00   22.79   7       ATOM   1362   CA   GLY A   174   39.509   5.765   −9.652   1.00   22.28   6       ATOM   1363   C   GLY A   174   38.217   5.872   −10.462   1.00   25.76   6       ATOM   1364   O   GLY A   174   37.972   4.984   −11.306   1.00   25.34   8       ATOM   1365   N   VAL A   175   37.340   6.803   −10.087   1.00   22.69   7       ATOM   1366   CA   VAL A   175   35.996   6.810   −10.712   1.00   21.96   6       ATOM   1367   C   VAL A   175   36.025   7.779   −11.858   1.00   22.74   6       ATOM   1368   O   VAL A   175   36.298   8.938   −11.632   1.00   19.20   8       ATOM   1369   CB   VAL A   175   34.977   7.161   −9.632   1.00   21.95   6       ATOM   1370   CG1   VAL A   175   33.557   7.328   −10.233   1.00   23.84   6       ATOM   1371   CG2   VAL A   175   34.914   6.111   −8.501   1.00   20.67   6       ATOM   1372   N   PRO A   176   35.590   7.430   −13.068   1.00   23.97   7       ATOM   1373   CA   PRO A   176   35.714   8.344   −14.172   1.00   26.00   6       ATOM   1374   C   PRO A   176   34.750   9.485   −14.090   1.00   23.25   6       ATOM   1375   O   PRO A   176   33.689   9.357   −13.462   1.00   23.13   8       ATOM   1376   CB   PRO A   176   35.429   7.464   −15.401   1.00   26.90   6       ATOM   1377   CG   PRO A   176   35.554   6.062   −14.946   1.00   30.42   6       ATOM   1378   CD   PRO A   176   35.214   6.053   −13.467   1.00   26.21   6       ATOM   1379   N   ILE A   177   35.026   10.601   −14.706   1.00   25.15   7       ATOM   1380   CA   ILE A   177   34.220   11.792   −14.882   1.00   25.60   6       ATOM   1381   C   ILE A   177   32.858   11.452   −15.470   1.00   26.15   6       ATOM   1382   O   ILE A   177   32.823   10.610   −16.392   1.00   25.13   8       ATOM   1383   CB   ILE A   177   35.002   12.755   −15.816   1.00   27.16   6       ATOM   1384   CG1   ILE A   177   36.095   13.432   −14.910   1.00   32.12   6       ATOM   1385   CG2   ILE A   177   34.203   13.794   −16.565   1.00   27.48   6       ATOM   1386   CD1   ILE A   177   37.253   13.907   −15.774   1.00   33.86   6       ATOM   1387   N   MET A   178   31.789   11.892   −14.839   1.00   23.56   7       ATOM   1388   CA   MET A   178   30.439   11.695   −15.338   1.00   22.41   6       ATOM   1389   C   MET A   178   30.253   12.624   −16.564   1.00   19.13   6       ATOM   1390   O   MET A   178   30.623   13.780   −16.493   1.00   19.54   8       ATOM   1391   CB   MET A   178   29.352   12.079   −14.359   1.00   28.06   6       ATOM   1392   CG   MET A   178   29.443   11.331   −13.018   1.00   34.50   6       ATOM   1393   SD   MET A   178   28.135   11.774   −11.868   1.00   41.82   16       ATOM   1394   CE   MET A   178   28.027   13.573   −11.994   1.00   44.07   6       ATOM   1395   N   ARG A   179   29.559   12.130   −17.573   1.00   19.57   7       ATOM   1396   CA   ARG A   179   29.384   12.934   −18.776   1.00   18.81   6       ATOM   1397   C   ARG A   179   27.950   12.914   −19.257   1.00   19.43   6       ATOM   1398   O   ARG A   179   27.182   12.014   −18.938   1.00   19.78   8       ATOM   1399   CB   ARG A   179   30.252   12.380   −19.936   1.00   20.44   6       ATOM   1400   CG   ARG A   179   31.757   12.403   −19.680   1.00   21.94   6       ATOM   1401   CD   ARG A   179   32.547   11.665   −20.791   1.00   22.96   6       ATOM   1402   NE   ARG A   179   33.928   11.849   −20.377   1.00   24.17   7       ATOM   1403   CZ   ARG A   179   34.636   12.995   −20.379   1.00   23.08   6       ATOM   1404   NH1   ARG A   179   34.146   14.147   −20.883   1.00   22.58   7       ATOM   1405   NH2   ARG A   179   35.872   12.925   −19.895   1.00   25.87   7       ATOM   1406   N   ALA A   180   27.526   13.954   −19.931   1.00   19.29   7       ATOM   1407   CA   ALA A   180   26.247   14.023   −20.609   1.00   20.57   6       ATOM   1408   C   ALA A   180   26.269   13.017   −21.785   1.00   20.46   6       ATOM   1409   O   ALA A   180   27.305   12.438   −22.089   1.00   20.53   8       ATOM   1410   CB   ALA A   180   26.009   15.430   −21.100   1.00   20.95   6       ATOM   1411   N   LYS A   181   25.065   12.823   −22.355   1.00   23.00   7       ATOM   1412   CA   LYS A   181   24.978   11.807   −23.436   1.00   25.24   6       ATOM   1413   C   LYS A   181   25.745   12.150   −24.672   1.00   23.73   6       ATOM   1414   O   LYS A   181   26.108   11.238   −25.439   1.00   25.08   8       ATOM   1415   CB   LYS A   181   23.496   11.637   −23.802   1.00   25.36   6       ATOM   1416   CG   LYS A   181   22.670   10.939   −22.755   1.00   29.60   6       ATOM   1417   CD   LYS A   181   23.217   9.642   −22.291   1.00   31.75   6       ATOM   1418   N   ASP A   182   26.027   13.427   −24.854   1.00   22.41   7       ATOM   1419   CA   ASP A   182   26.844   13.896   −25.958   1.00   23.30   6       ATOM   1420   C   ASP A   182   28.319   13.944   −25.618   1.00   24.01   6       ATOM   1421   O   ASP A   182   29.102   14.328   −26.481   1.00   23.06   8       ATOM   1422   CB   ASP A   182   26.269   15.241   −26.435   1.00   23.96   6       ATOM   1423   CG   ASP A   182   26.307   16.365   −25.427   1.00   25.62   6       ATOM   1424   OD1   ASP A   182   26.954   16.241   −24.359   1.00   24.83   8       ATOM   1425   OD2   ASP A   182   25.690   17.397   −25.755   1.00   27.42   8       ATOM   1426   N   GLY A   183   28.808   13.557   −24.413   1.00   19.95   7       ATOM   1427   CA   GLY A   183   30.201   13.464   −24.071   1.00   23.13   6       ATOM   1428   C   GLY A   183   30.666   14.607   −23.127   1.00   19.95   6       ATOM   1429   O   GLY A   183   31.799   14.532   −22.661   1.00   21.39   8       ATOM   1430   N   LEU A   184   29.882   15.681   −23.119   1.00   19.14   7       ATOM   1431   CA   LEU A   184   30.339   16.847   −22.301   1.00   18.16   6       ATOM   1432   C   LEU A   184   30.494   16.470   −20.832   1.00   18.40   6       ATOM   1433   O   LEU A   184   29.587   15.913   −20.225   1.00   19.97   8       ATOM   1434   CB   LEU A   184   29.377   18.028   −22.486   1.00   18.63   6       ATOM   1435   CG   LEU A   184   29.738   19.280   −21.652   1.00   17.34   6       ATOM   1436   CD1   LEU A   184   31.065   19.909   −22.111   1.00   19.12   6       ATOM   1437   CD2   LEU A   184   28.615   20.311   −21.740   1.00   19.88   6       ATOM   1438   N   ALA A   185   31.607   16.870   −20.184   1.00   16.12   7       ATOM   1439   CA   ALA A   185   31.782   16.555   −18.761   1.00   18.63   6       ATOM   1440   C   ALA A   185   30.744   17.337   −17.942   1.00   17.79   6       ATOM   1441   O   ALA A   185   30.537   18.511   −18.196   1.00   18.57   8       ATOM   1442   CB   ALA A   185   33.237   16.872   −18.396   1.00   20.34   6       ATOM   1443   N   LEU A   186   30.024   16.634   −17.065   1.00   16.87   7       ATOM   1444   CA   LEU A   186   29.020   17.352   −16.271   1.00   16.99   6       ATOM   1445   C   LEU A   186   29.790   18.284   −15.327   1.00   17.67   6       ATOM   1446   O   LEU A   186   30.768   17.866   −14.658   1.00   20.34   8       ATOM   1447   CB   LEU A   186   28.117   16.384   −15.513   1.00   16.87   6       ATOM   1448   CG   LEU A   186   27.300   15.408   −16.358   1.00   18.67   6       ATOM   1449   CD1   LEU A   186   26.353   14.626   −15.456   1.00   20.67   6       ATOM   1450   CD2   LEU A   186   26.520   16.166   −17.415   1.00   17.31   6       ATOM   1451   N   SER A   187   29.252   19.481   −15.220   1.00   18.83   7       ATOM   1452   CA   SER A   187   29.915   20.486   −14.382   1.00   17.18   6       ATOM   1453   C   SER A   187   29.000   21.631   −14.105   1.00   17.64   6       ATOM   1454   O   SER A   187   28.216   22.057   −14.964   1.00   18.63   8       ATOM   1455   CB   SER A   187   31.153   21.021   −15.151   1.00   20.23   6       ATOM   1456   OG   SER A   187   31.730   22.134   −14.430   1.00   20.91   8       ATOM   1457   N   SER A   188   29.176   22.275   −12.905   1.00   17.55   7       ATOM   1458   CA   SER A   188   28.463   23.548   −12.722   1.00   17.70   6       ATOM   1459   C   SER A   188   28.806   24.605   −13.755   1.00   17.74   6       ATOM   1460   O   SER A   188   28.014   25.522   −14.095   1.00   18.92   8       ATOM   1461   CB   SER A   188   28.799   24.124   −11.327   1.00   19.73   6       ATOM   1462   OG   SER A   188   30.220   24.296   −11.200   1.00   20.84   8       ATOM   1463   N   ARG A   189   29.969   24.554   −14.393   1.00   18.16   7       ATOM   1464   CA   ARG A   189   30.424   25.497   −15.393   1.00   19.85   6       ATOM   1465   C   ARG A   189   29.538   25.498   −16.634   1.00   20.33   6       ATOM   1466   O   ARG A   189   29.484   26.473   −17.348   1.00   21.91   8       ATOM   1467   CB   ARG A   189   31.879   25.201   −15.823   1.00   20.55   6       ATOM   1468   CG   ARG A   189   32.801   25.314   −14.605   1.00   22.89   6       ATOM   1469   CD   ARG A   189   34.254   25.061   −15.042   1.00   23.21   6       ATOM   1470   NE   ARG A   189   35.037   25.170   −13.785   1.00   25.97   7       ATOM   1471   CZ   ARG A   189   36.121   25.924   −13.683   1.00   28.29   6       ATOM   1472   NH1   ARG A   189   36.608   26.564   −14.711   1.00   26.60   7       ATOM   1473   NH2   ARG A   189   36.744   25.966   −12.487   1.00   28.41   7       ATOM   1474   N   ASN A   190   28.914   24.324   −16.956   1.00   19.42   7       ATOM   1475   CA   ASN A   190   28.105   24.261   −18.156   1.00   19.64   6       ATOM   1476   C   ASN A   190   26.963   25.235   −18.114   1.00   22.61   6       ATOM   1477   O   ASN A   190   26.271   25.606   −19.109   1.00   23.27   8       ATOM   1478   CB   ASN A   190   27.544   22.841   −18.332   1.00   19.54   6       ATOM   1479   CG   ASN A   190   28.675   21.842   −18.530   1.00   21.41   6       ATOM   1480   OD1   ASN A   190   28.471   20.621   −18.265   1.00   21.40   8       ATOM   1481   ND2   ASN A   190   29.819   22.309   −18.997   1.00   19.16   7       ATOM   1497   N   GLY A   191   26.554   25.616   −16.760   1.00   27.44   7       ATOM   1498   CA   GLY A   191   25.459   26.574   −16.600   1.00   28.04   6       ATOM   1499   C   GLY A   191   25.750   27.966   −17.117   1.00   29.70   6       ATOM   1500   O   GLY A   191   24.790   28.715   −17.294   1.00   31.47   8       ATOM   1482   N   TYR A   192   26.966   28.311   −17.457   1.00   26.92   7       ATOM   1483   CA   TYR A   192   27.272   29.642   −17.970   1.00   29.88   6       ATOM   1484   C   TYR A   192   27.308   29.633   −19.479   1.00   29.91   6       ATOM   1485   O   TYR A   192   27.538   30.724   −20.046   1.00   34.28   8       ATOM   1486   CB   TYR A   192   28.611   30.173   −17.427   1.00   30.32   6       ATOM   1487   CG   TYR A   192   28.459   30.366   −15.928   1.00   32.17   6       ATOM   1488   CD1   TYR A   192   28.608   29.256   −15.102   1.00   32.38   6       ATOM   1489   CD2   TYR A   192   28.097   31.585   −15.362   1.00   34.00   6       ATOM   1490   CE1   TYR A   192   28.438   29.352   −13.751   1.00   35.21   6       ATOM   1491   CE2   TYR A   192   27.927   31.687   −13.985   1.00   34.55   6       ATOM   1492   CZ   TYR A   192   28.106   30.589   −13.195   1.00   36.66   6       ATOM   1493   OH   TYR A   192   27.942   30.636   −11.819   1.00   38.33   8       ATOM   1494   N   LEU A   193   27.090   28.487   −20.135   1.00   28.20   7       ATOM   1495   CA   LEU A   193   27.054   28.479   −21.575   1.00   26.63   6       ATOM   1496   C   LEU A   193   25.718   28.903   −22.154   1.00   27.15   6       ATOM   1497   O   LEU A   193   24.697   28.434   −22.647   1.00   28.28   8       ATOM   1498   CB   LEU A   193   27.315   27.057   −22.112   1.00   26.20   6       ATOM   1499   CG   LEU A   193   28.613   26.402   −21.654   1.00   25.58   6       ATOM   1500   CD1   LEU A   193   28.593   24.905   −21.877   1.00   24.08   6       ATOM   1501   CD2   LEU A   193   29.827   27.005   −22.390   1.00   27.77   6       ATOM   1502   N   THR A   194   25.679   29.616   −23.303   1.00   28.42   7       ATOM   1503   CA   THR A   194   24.376   29.825   −23.934   1.00   27.62   6       ATOM   1504   C   THR A   194   23.892   28.531   −24.561   1.00   25.74   6       ATOM   1505   O   THR A   194   24.735   27.621   −24.723   1.00   26.48   8       ATOM   1506   CB   THR A   194   24.463   30.922   −25.011   1.00   29.34   6       ATOM   1507   OG1   THR A   194   25.465   30.535   −25.956   1.00   30.55   8       ATOM   1508   CG2   THR A   194   24.862   32.238   −24.353   1.00   32.65   6       ATOM   1509   N   ALA A   195   22.663   28.446   −25.043   1.00   25.15   7       ATOM   1510   CA   ALA A   195   22.211   27.253   −25.755   1.00   25.73   6       ATOM   1511   C   ALA A   195   23.105   26.994   −26.972   1.00   28.33   6       ATOM   1512   O   ALA A   195   23.460   25.834   −27.241   1.00   28.09   8       ATOM   1513   CB   ALA A   195   20.768   27.315   −26.209   1.00   25.63   6       ATOM   1514   N   GLU A   196   23.486   28.068   −27.703   1.00   27.21   7       ATOM   1515   CA   GLU A   196   24.366   27.886   −28.843   1.00   28.84   6       ATOM   1516   C   GLU A   196   25.718   27.351   −28.424   1.00   25.77   6       ATOM   1517   O   GLU A   196   26.282   26.445   −29.054   1.00   30.10   8       ATOM   1518   CB   GLU A   196   24.534   29.239   −29.570   1.00   31.35   6       ATOM   1519   N   GLN A   197   26.278   27.889   −27.328   1.00   26.45   7       ATOM   1520   CA   GLN A   197   27.567   27.412   −26.855   1.00   25.85   6       ATOM   1521   C   GLN A   197   27.489   25.961   −26.330   1.00   25.97   6       ATOM   1522   O   GLN A   197   28.406   25.210   −26.618   1.00   25.79   8       ATOM   1523   CB   GLN A   197   28.157   28.273   −25.717   1.00   27.14   6       ATOM   1524   CG   GLN A   197   28.452   29.662   −26.408   1.00   29.94   6       ATOM   1525   CD   GLN A   197   28.544   30.739   −25.358   1.00   31.03   6       ATOM   1526   OE1   GLN A   197   28.249   30.597   −24.174   1.00   31.48   8       ATOM   1527   NE2   GLN A   197   28.949   31.963   −25.739   1.00   30.58   7       ATOM   1528   N   ARG A   198   26.335   25.639   −25.736   1.00   23.62   7       ATOM   1529   CA   ARG A   198   26.151   24.282   −25.209   1.00   23.58   6       ATOM   1530   C   ARG A   198   26.204   23.282   −26.345   1.00   24.98   6       ATOM   1531   O   ARG A   198   26.761   22.214   −26.214   1.00   25.17   8       ATOM   1532   CB   ARG A   198   24.831   24.133   −24.454   1.00   22.16   6       ATOM   1533   CG   ARG A   198   24.576   22.689   −23.946   1.00   21.81   6       ATOM   1534   CD   ARG A   198   25.656   22.194   −23.010   1.00   22.56   6       ATOM   1535   NE   ARG A   198   25.386   20.830   −22.532   1.00   21.88   7       ATOM   1536   CZ   ARG A   198   25.614   19.724   −23.247   1.00   24.32   6       ATOM   1537   NH1   ARG A   198   25.384   18.481   −22.824   1.00   23.45   7       ATOM   1538   NH2   ARG A   198   26.118   19.830   −24.477   1.00   25.14   7       ATOM   1539   N   LYS A   199   25.707   23.649   −27.549   1.00   23.80   7       ATOM   1540   CA   LYS A   199   25.820   22.710   −28.684   1.00   22.66   6       ATOM   1541   C   LYS A   199   27.221   22.558   −29.202   1.00   22.59   6       ATOM   1542   O   LYS A   199   27.608   21.508   −29.753   1.00   24.00   8       ATOM   1543   CB   LYS A   199   24.855   23.272   −29.743   1.00   25.23   6       ATOM   1544   CG   LYS A   199   24.661   22.284   −30.903   1.00   27.40   6       ATOM   1545   CD   LYS A   199   23.602   22.991   −31.802   1.00   32.35   6       ATOM   1546   CE   LYS A   199   23.336   22.059   −32.983   1.00   36.02   6       ATOM   1547   NZ   LYS A   199   22.311   22.674   −33.894   1.00   38.59   7       ATOM   1548   N   ILE A   200   28.111   23.556   −29.074   1.00   22.04   7       ATOM   1549   CA   ILE A   200   29.513   23.458   −29.440   1.00   25.05   6       ATOM   1550   C   ILE A   200   30.415   22.725   −28.438   1.00   23.70   6       ATOM   1551   O   ILE A   200   31.347   21.980   −28.775   1.00   22.15   8       ATOM   1552   CB   ILE A   200   30.128   24.863   −29.575   1.00   25.43   6       ATOM   1553   CG1   ILE A   200   29.457   25.528   −30.809   1.00   26.99   6       ATOM   1554   CG2   ILE A   200   31.644   24.911   −29.704   1.00   26.61   6       ATOM   1555   CD1   ILE A   200   29.746   27.029   −30.827   1.00   28.65   6       ATOM   1556   N   ALA A   201   29.987   22.836   −27.170   1.00   22.88   7       ATOM   1557   CA   ALA A   201   30.773   22.278   −26.053   1.00   24.80   6       ATOM   1558   C   ALA A   201   31.217   20.829   −26.110   1.00   23.52   6       ATOM   1559   O   ALA A   201   32.363   20.607   −25.709   1.00   21.96   8       ATOM   1560   CB   ALA A   201   29.913   22.499   −24.781   1.00   24.70   6       ATOM   1561   N   PRO A   202   30.498   19.846   −26.659   1.00   24.18   7       ATOM   1562   CA   PRO A   202   30.946   18.473   −26.796   1.00   24.19   6       ATOM   1563   C   PRO A   202   32.191   18.288   −27.649   1.00   26.04   6       ATOM   1564   O   PRO A   202   32.900   17.282   −27.556   1.00   25.77   8       ATOM   1565   CB   PRO A   202   29.759   17.693   −27.382   1.00   24.31   6       ATOM   1566   CG   PRO A   202   28.579   18.572   −27.068   1.00   23.02   6       ATOM   1567   CD   PRO A   202   29.073   19.991   −27.051   1.00   22.33   6       ATOM   1568   N   GLY A   203   32.559   19.351   −28.406   1.00   25.61   7       ATOM   1569   CA   GLY A   203   33.779   19.327   −29.179   1.00   26.22   6       ATOM   1570   C   GLY A   203   35.012   19.196   −28.324   1.00   24.81   6       ATOM   1571   O   GLY A   203   36.061   18.750   −28.817   1.00   24.88   8       ATOM   1572   N   LEU A   204   34.999   19.724   −27.082   1.00   23.90   7       ATOM   1573   CA   LEU A   204   36.199   19.561   −26.254   1.00   23.72   6       ATOM   1574   C   LEU A   204   36.550   18.119   −26.035   1.00   23.32   6       ATOM   1575   O   LEU A   204   37.689   17.689   −26.239   1.00   24.33   8       ATOM   1576   CB   LEU A   204   35.957   20.361   −24.936   1.00   24.53   6       ATOM   1577   CG   LEU A   204   37.111   20.290   −23.972   1.00   25.84   6       ATOM   1578   CD1   LEU A   204   38.425   20.791   −24.586   1.00   26.75   6       ATOM   1579   CD2   LEU A   204   36.806   21.156   −22.742   1.00   26.68   6       ATOM   1580   N   TYR A   205   35.580   17.243   −25.663   1.00   21.57   7       ATOM   1581   CA   TYR A   205   35.804   15.836   −25.435   1.00   22.36   6       ATOM   1582   C   TYR A   205   36.200   15.116   −26.748   1.00   21.69   6       ATOM   1583   O   TYR A   205   37.041   14.212   −26.762   1.00   23.95   8       ATOM   1584   CB   TYR A   205   34.533   15.211   −24.809   1.00   21.96   6       ATOM   1585   CG   TYR A   205   34.766   13.758   −24.505   1.00   25.55   6       ATOM   1586   CD1   TYR A   205   35.727   13.322   −23.619   1.00   27.86   6       ATOM   1587   CD2   TYR A   205   34.059   12.802   −25.253   1.00   29.16   6       ATOM   1588   CE1   TYR A   205   35.901   11.979   −23.364   1.00   30.07   6       ATOM   1589   CE2   TYR A   205   34.261   11.448   −25.003   1.00   30.89   6       ATOM   1590   CZ   TYR A   205   35.158   11.052   −24.064   1.00   32.67   6       ATOM   1591   OH   TYR A   205   35.373   9.702   −23.839   1.00   36.20   8       ATOM   1592   N   LYS A   206   35.652   15.679   −27.333   1.00   23.35   7       ATOM   1593   CA   LYS A   206   36.040   15.114   −29.149   1.00   24.75   6       ATOM   1594   C   LYS A   206   37.530   15.306   −29.401   1.00   24.74   6       ATOM   1595   O   LYS A   206   38.252   14.359   −29.757   1.00   26.16   8       ATOM   1596   CB   LYS A   206   35.223   15.740   −30.293   1.00   25.21   6       ATOM   1597   CG   LYS A   206   33.784   15.236   −30.295   1.00   30.61   6       ATOM   1598   CD   LYS A   206   33.118   15.648   −31.621   1.00   34.58   6       ATOM   1599   CE   LYS A   206   31.600   15.547   −31.489   1.00   37.70   6       ATOM   1600   NZ   LYS A   206   30.951   15.934   −32.794   1.00   40.74   7       ATOM   1601   N   VAL A   207   37.995   16.518   −29.128   1.00   25.56   7       ATOM   1602   CA   VAL A   207   39.432   16.818   −29.324   1.00   26.41   6       ATOM   1603   C   VAL A   207   40.240   16.016   −28.333   1.00   26.75   6       ATOM   1604   O   VAL A   207   41.246   15.351   −28.662   1.00   26.06   8       ATOM   1605   CB   VAL A   207   39.714   18.318   −29.266   1.00   26.88   6       ATOM   1606   CG1   VAL A   207   41.212   18.590   −29.172   1.00   27.69   6       ATOM   1607   CG2   VAL A   207   39.062   18.967   −30.489   1.00   27.15   6       ATOM   1608   N   LEU A   208   39.793   15.917   −27.065   1.00   26.81   7       ATOM   1609   CA   LEU A   208   40.472   15.110   −26.079   1.00   26.80   6       ATOM   1610   C   LEU A   208   40.555   13.645   −26.462   1.00   27.53   6       ATOM   1611   O   LEU A   208   41.616   13.017   −26.276   1.00   27.79   8       ATOM   1612   CB   LEU A   208   39.736   15.325   −24.732   1.00   28.31   6       ATOM   1613   CG   LEU A   208   40.248   14.531   −23.535   1.00   31.14   6       ATOM   1614   CD1   LEU A   208   41.649   14.906   −23.142   1.00   31.37   6       ATOM   1615   CD2   LEU A   208   39.288   14.741   −22.347   1.00   33.29   6       ATOM   1616   N   SER A   209   39.539   13.042   −27.028   1.00   26.96   7       ATOM   1617   CA   SER A   209   39.536   11.655   −27.442   1.00   28.65   6       ATOM   1618   C   SER A   209   40.427   11.463   −28.696   1.00   30.30   6       ATOM   1619   O   SER A   209   41.021   10.401   −28.829   1.00   29.86   8       ATOM   1620   CB   SER A   209   38.141   11.126   −27.751   1.00   32.08   6       ATOM   1621   OG   SER A   209   37.320   11.455   −26.630   1.00   36.96   8       ATOM   1622   N   SER A   210   40.502   12.521   −29.507   1.00   31.09   7       ATOM   1623   CA   SER A   210   41.372   12.426   −30.703   1.00   33.89   6       ATOM   1624   C   SER A   210   42.826   12.447   −30.297   1.00   33.77   6       ATOM   1625   O   SER A   210   43.687   11.734   −30.842   1.00   34.87   8       ATOM   1626   CB   SER A   210   41.024   13.563   −31.655   1.00   36.51   6       ATOM   1627   OG   SER A   210   42.171   13.743   −32.490   1.00   42.40   8       ATOM   1628   N   ILE A   211   43.172   13.190   −29.230   1.00   31.25   7       ATOM   1629   CA   ILE A   211   44.530   13.129   −28.705   1.00   30.79   6       ATOM   1630   C   ILE A   211   44.815   11.731   −28.188   1.00   31.65   6       ATOM   1631   O   ILE A   211   45.878   11.124   −28.405   1.00   31.20   8       ATOM   1632   CB   ILE A   211   44.710   14.154   −27.580   1.00   30.45   6       ATOM   1633   CG1   ILE A   211   44.646   15.580   −28.137   1.00   29.16   6       ATOM   1634   CG2   ILE A   211   46.009   13.912   −26.797   1.00   28.20   6       ATOM   1635   CD1   ILE A   211   44.501   16.613   −27.014   1.00   28.78   6       ATOM   1636   N   ALA A   212   43.882   11.162   −27.426   1.00   31.19   7       ATOM   1637   CA   ALA A   212   44.069   9.828   −26.852   1.00   31.19   6       ATOM   1638   C   ALA A   212   44.251   8.789   −27.955   1.00   33.70   6       ATOM   1639   O   ALA A   212   45.100   7.892   −27.832   1.00   34.72   8       ATOM   1640   CB   ALA A   212   42.879   9.427   −25.995   1.00   31.27   6       ATOM   1641   N   ASP A   213   43.478   8.916   −29.045   1.00   32.83   7       ATOM   1642   CA   ASP A   213   43.576   7.982   −30.167   1.00   34.55   6       ATOM   1643   C   ASP A   213   45.008   7.998   −30.723   1.00   34.80   6       ATOM   1644   O   ASP A   213   45.616   6.938   −30.847   1.00   36.87   8       ATOM   1645   CB   ASP A   213   42.567   8.322   −31.256   1.00   33.87   6       ATOM   1646   CG   ASP A   213   41.145   7.900   −30.888   1.00   36.07   6       ATOM   1647   OD1   ASP A   213   40.932   7.091   −29.951   1.00   36.03   8       ATOM   1648   OD2   ASP A   213   40.224   8.400   −31.585   1.00   36.99   8       ATOM   1649   N   LYS A   214   45.527   9.193   −30.994   1.00   34.39   7       ATOM   1650   CA   LYS A   214   46.892   9.357   −31.506   1.00   35.31   6       ATOM   1651   C   LYS A   214   47.904   8.782   −30.536   1.00   37.91   6       ATOM   1652   O   LYS A   214   48.900   8.106   −30.920   1.00   39.73   8       ATOM   1653   CB   LYS A   214   47.196   10.833   −31.789   1.00   33.06   6       ATOM   1654   CG   LYS A   214   46.295   11.525   −32.774   1.00   33.68   6       ATOM   1655   CD   LYS A   214   46.733   12.968   −33.079   1.00   32.27   6       ATOM   1656   CE   LYS A   214   45.891   13.544   −34.215   1.00   33.88   6       ATOM   1657   NZ   LYS A   214   46.243   14.978   −34.497   1.00   35.57   7       ATOM   1658   N   LEU A   215   47.726   9.056   −29.227   1.00   38.37   7       ATOM   1659   CA   LEU A   215   48.742   8.507   −28.299   1.00   41.26   6       ATOM   1660   C   LEU A   215   48.676   6.988   −28.267   1.00   42.76   6       ATOM   1661   O   LEU A   215   49.717   6.311   −28.250   1.00   43.43   8       ATOM   1662   CB   LEU A   215   48.615   9.016   −26.871   1.00   38.15   6       ATOM   1663   CG   LEU A   215   48.941   10.483   −26.658   1.00   39.14   6       ATOM   1664   CD1   LEU A   215   48.406   10.973   −25.306   1.00   39.20   6       ATOM   1665   CD2   LEU A   215   50.441   10.749   −26.718   1.00   39.00   6       ATOM   1666   N   GLN A   216   47.493   6.407   −28.253   1.00   44.37   7       ATOM   1667   CA   GLN A   216   47.328   4.952   −28.225   1.00   47.10   6       ATOM   1668   C   GLN A   216   47.833   4.272   −29.499   1.00   47.76   6       ATOM   1669   O   GLN A   216   48.153   3.081   −29.469   1.00   48.80   8       ATOM   1670   CB   GLN A   216   45.859   4.643   −27.991   1.00   48.55   6       ATOM   1671   CG   GLN A   216   45.452   3.303   −27.435   1.00   50.81   6       ATOM   1672   CD   GLN A   216   44.259   3.444   −26.493   1.00   53.17   6       ATOM   1673   OE1   GLN A   216   43.252   4.063   −26.856   1.00   54.69   8       ATOM   1674   NE2   GLN A   216   44.354   2.898   −25.279   1.00   53.81   7       ATOM   1675   N   ALA A   217   47.944   4.977   −30.617   1.00   47.64   7       ATOM   1676   CA   ALA A   217   48.431   4.433   −31.869   1.00   48.49   6       ATOM   1677   C   ALA A   217   49.948   4.569   −31.997   1.00   48.68   6       ATOM   1678   O   ALA A   217   50.517   4.182   −33.024   1.00   51.00   8       ATOM   1679   CB   ALA A   217   47.789   5.138   −33.060   1.00   47.71   6       ATOM   1680   N   GLY A   218   50.612   5.211   −31.056   1.00   47.70   7       ATOM   1681   CA   GLY A   218   52.037   5.390   −31.027   1.00   46.44   6       ATOM   1682   C   GLY A   218   52.539   6.780   −31.316   1.00   47.59   6       ATOM   1683   O   GLY A   218   53.771   6.979   −31.285   1.00   47.50   8       ATOM   1684   N   GLU A   219   51.677   7.755   −31.607   1.00   45.89   7       ATOM   1685   CA   GLU A   219   52.216   9.086   −31.891   1.00   46.96   6       ATOM   1686   C   GLU A   219   52.912   9.624   −30.651   1.00   43.26   6       ATOM   1687   O   GLU A   219   52.403   9.484   −29.530   1.00   46.86   8       ATOM   1688   CB   GLU A   219   51.146   10.071   −32.380   1.00   47.88   6       ATOM   1689   CG   GLU A   219   50.460   9.695   −33.672   1.00   48.05   6       ATOM   1690   CD   GLU A   219   49.744   10.817   −34.384   1.00   50.68   6       ATOM   1691   OE1   GLU A   219   50.134   12.015   −34.408   1.00   51.01   8       ATOM   1692   OE2   GLU A   219   48.702   10.497   −35.025   1.00   52.09   8       ATOM   1693   N   ARG A   220   54.135   10.154   −30.831   1.00   47.68   7       ATOM   1694   CA   ARG A   220   54.868   10.698   −29.694   1.00   47.37   6       ATOM   1695   C   ARG A   220   55.402   12.091   −29.989   1.00   47.62   6       ATOM   1696   O   ARG A   220   56.106   12.622   −29.125   1.00   49.49   8       ATOM   1697   CB   ARG A   220   56.014   9.790   −29.239   1.00   46.78   6       ATOM   1698   CG   ARG A   220   55.570   8.463   −28.643   1.00   46.54   6       ATOM   1699   CD   ARG A   220   54.878   8.628   −27.293   1.00   45.80   6       ATOM   1700   NE   ARG A   220   54.371   7.359   −26.801   1.00   45.04   7       ATOM   1701   CZ   ARG A   220   53.281   6.683   −27.074   1.00   44.93   6       ATOM   1702   NH1   ARG A   220   52.341   7.093   −27.930   1.00   45.42   7       ATOM   1703   NH2   ARG A   220   53.080   5.516   −26.476   1.00   44.28   7       ATOM   1704   N   ASP A   221   54.976   12.756   −31.052   1.00   48.60   7       ATOM   1705   CA   ASP A   221   55.381   14.161   −31.242   1.00   48.15   6       ATOM   1706   C   ASP A   221   54.296   15.005   −30.557   1.00   46.06   6       ATOM   1707   O   ASP A   221   53.379   15.515   −31.197   1.00   44.76   8       ATOM   1708   CB   ASP A   221   55.576   14.527   −32.691   1.00   50.20   6       ATOM   1709   CG   ASP A   221   56.053   15.928   −32.988   1.00   53.21   6       ATOM   1710   OD1   ASP A   221   56.188   16.801   −32.101   1.00   53.81   8       ATOM   1711   OD2   ASP A   221   56.309   16.204   −34.191   1.00   55.09   8       ATOM   1712   N   LEU A   222   54.465   15.167   −29.249   1.00   43.92   7       ATOM   1713   CA   LEU A   222   53.451   15.829   −28.427   1.00   42.81   6       ATOM   1714   C   LEU A   222   53.215   17.271   −28.774   1.00   43.64   6       ATOM   1715   O   LEU A   222   52.066   17.762   −28.789   1.00   41.82   8       ATOM   1716   CB   LEU A   222   53.894   15.652   −26.952   1.00   43.09   6       ATOM   1717   CG   LEU A   222   54.196   14.191   −26.578   1.00   41.83   6       ATOM   1718   CD1   LEU A   222   54.442   14.033   −25.081   1.00   42.53   6       ATOM   1719   CD2   LEU A   222   53.086   13.237   −26.991   1.00   41.15   6       ATOM   1720   N   ASP A   223   54.285   18.012   −29.105   1.00   43.23   7       ATOM   1721   CA   ASP A   223   54.124   19.416   −29.472   1.00   44.33   6       ATOM   1722   C   ASP A   223   53.223   19.562   −30.688   1.00   44.26   6       ATOM   1723   O   ASP A   223   52.401   20.490   −30.770   1.00   45.10   8       ATOM   1724   CB   ASP A   223   55.508   20.042   −29.717   1.00   45.77   6       ATOM   1725   N   GLU A   224   53.398   18.654   −31.651   1.00   44.43   7       ATOM   1726   CA   GLU A   224   52.583   18.676   −32.863   1.00   45.57   6       ATOM   1727   C   GLU A   224   51.126   18.332   −32.533   1.00   41.13   6       ATOM   1728   O   GLU A   224   50.187   18.995   −32.967   1.00   40.57   8       ATOM   1729   CB   GLU A   224   53.146   17.723   −33.915   1.00   49.14   6       ATOM   1730   CG   GLU A   224   52.327   17.645   −35.186   1.00   53.71   6       ATOM   1731   CD   GLU A   224   52.241   18.926   −35.991   1.00   57.27   6       ATOM   1732   OE1   GLU A   224   52.627   20.028   −35.530   1.00   58.34   8       ATOM   1733   OE2   GLU A   224   51.738   18.792   −37.141   1.00   59.44   8       ATOM   1734   N   ILE A   225   50.928   17.234   −31.837   1.00   38.07   7       ATOM   1735   CA   ILE A   225   49.602   16.821   −31.360   1.00   36.44   6       ATOM   1736   C   ILE A   225   48.838   17.929   −30.641   1.00   35.31   6       ATOM   1737   O   ILE A   225   47.630   18.075   −30.873   1.00   34.79   8       ATOM   1738   CB   ILE A   225   49.745   15.630   −30.401   1.00   36.23   6       ATOM   1739   CG1   ILE A   225   50.310   14.449   −31.200   1.00   36.60   6       ATOM   1740   CG2   ILE A   225   48.432   15.233   −29.722   1.00   36.18   6       ATOM   1741   CD1   ILE A   225   50.515   13.174   −30.428   1.00   37.76   6       ATOM   1742   N   ILE A   226   49.522   18.680   −29.780   1.00   33.53   7       ATOM   1743   CA   ILE A   226   48.922   19.759   −29.025   1.00   33.52   6       ATOM   1744   C   ILE A   226   48.614   20.969   −29.881   1.00   33.80   6       ATOM   1745   O   ILE A   226   47.581   21.655   −29.737   1.00   32.30   8       ATOM   1746   CB   ILE A   226   49.877   20.107   −27.843   1.00   34.98   6       ATOM   1747   CG1   ILE A   226   49.847   18.937   −26.874   1.00   34.99   6       ATOM   1748   CG2   ILE A   226   49.490   21.417   −27.159   1.00   34.94   6       ATOM   1749   CD1   ILE A   226   50.657   19.117   −25.611   1.00   36.97   6       ATOM   1750   N   THR A   227   49.527   21.261   −30.830   1.00   33.69   7       ATOM   1751   CA   THR A   227   49.287   22.418   −31.697   1.00   34.02   6       ATOM   1752   C   THR A   227   48.040   22.160   −32.526   1.00   32.93   6       ATOM   1753   O   THR A   227   47.183   23.034   −32.604   1.00   33.21   8       ATOM   1754   CB   THR A   227   50.469   22.754   −32.630   1.00   36.23   6       ATOM   1755   OG1   THR A   227   51.656   22.905   −31.839   1.00   38.63   8       ATOM   1756   CG2   THR A   227   50.229   24.059   −33.378   1.00   37.54   6       ATOM   1757   N   ILE A   228   47.887   20.967   −33.060   1.00   33.57   7       ATOM   1758   CA   ILE A   228   46.742   20.647   −33.899   1.00   33.85   6       ATOM   1759   C   ILE A   228   45.453   20.703   −33.074   1.00   33.32   6       ATOM   1760   O   ILE A   228   44.417   21.205   −33.482   1.00   31.47   8       ATOM   1761   CB   ILE A   228   46.908   19.275   −34.533   1.00   36.08   6       ATOM   1762   CG1   ILE A   228   48.002   19.323   −35.634   1.00   39.34   6       ATOM   1763   CG2   ILE A   228   45.610   18.758   −35.136   1.00   35.68   6       ATOM   1764   CD1   ILE A   228   48.385   17.919   −36.092   1.00   39.59   6       ATOM   1765   N   ALA A   229   45.597   20.146   −31.859   1.00   33.09   7       ATOM   1766   CA   ALA A   229   44.441   20.114   −30.930   1.00   31.53   6       ATOM   1767   C   ALA A   229   43.948   21.497   −30.607   1.00   28.89   6       ATOM   1768   O   ALA A   229   42.733   21.771   −30.644   1.00   28.46   8       ATOM   1769   CB   ALA A   229   44.898   19.315   −29.707   1.00   31.42   6       ATOM   1770   N   GLY A   230   44.836   22.471   −30.407   1.00   29.20   7       ATOM   1771   CA   GLY A   230   44.485   23.857   −30.166   1.00   30.51   6       ATOM   1772   C   GLY A   230   43.797   24.472   −31.372   1.00   31.48   6       ATOM   1773   O   GLY A   230   42.759   25.155   −31.288   1.00   33.24   8       ATOM   1774   N   GLN A   231   44.374   24.217   −32.569   1.00   33.19   7       ATOM   1775   CA   GLN A   231   43.812   24.700   −33.823   1.00   33.48   6       ATOM   1776   C   GLN A   231   42.396   24.206   −34.027   1.00   32.96   6       ATOM   1777   O   GLN A   231   41.476   24.995   −34.324   1.00   34.21   8       ATOM   1778   CB   GLN A   231   44.704   24.245   −35.003   1.00   34.34   6       ATOM   1779   CG   GLN A   231   46.007   25.041   −35.007   1.00   36.14   6       ATOM   1780   CD   GLN A   231   47.002   24.556   −36.052   1.00   38.53   6       ATOM   1781   OE1   GLN A   231   46.812   23.541   −36.732   1.00   39.14   8       ATOM   1782   NE2   GLN A   231   48.085   25.312   −36.189   1.00   39.12   7       ATOM   1783   N   GLU A   232   42.214   22.900   −33.801   1.00   31.08   7       ATOM   1784   CA   GLU A   232   40.897   22.280   −33.907   1.00   33.90   6       ATOM   1785   C   GLU A   232   39.897   22.898   −32.923   1.00   32.79   6       ATOM   1786   O   GLU A   232   38.785   23.235   −33.345   1.00   30.71   8       ATOM   1787   CB   GLU A   232   40.956   20.772   −33.659   1.00   36.16   6       ATOM   1788   CG   GLU A   232   41.681   19.963   −34.705   1.00   40.99   6       ATOM   1789   CD   GLU A   232   41.956   18.526   −34.336   1.00   43.88   6       ATOM   1790   OE1   GLU A   232   42.231   18.222   −33.162   1.00   46.75   8       ATOM   1791   OE2   GLU A   232   41.978   17.624   −35.213   1.00   46.96   8       ATOM   1792   N   LEU A   233   40.279   23.075   −31.654   1.00   31.79   7       ATOM   1793   CA   LEU A   233   39.390   23.738   −30.717   1.00   31.75   6       ATOM   1794   C   LEU A   233   39.053   25.159   −31.151   1.00   30.93   6       ATOM   1795   O   LEU A   233   37.914   25.617   −31.117   1.00   29.58   8       ATOM   1796   CB   LEU A   233   40.002   23.804   −29.306   1.00   28.67   6       ATOM   1797   CG   LEU A   233   40.122   22.439   −28.598   1.00   29.48   6       ATOM   1798   CD1   LEU A   233   41.084   22.505   −27.425   1.00   29.09   6       ATOM   1799   CD2   LEU A   233   38.712   21.976   −28.189   1.00   30.10   6       ATOM   1800   N   ASN A   234   40.083   25.889   −31.615   1.00   32.79   7       ATOM   1801   CA   ASN A   234   39.861   27.288   −32.011   1.00   33.77   6       ATOM   1802   C   ASN A   234   38.946   27.388   −33.220   1.00   31.44   6       ATOM   1803   O   ASN A   234   38.071   28.254   −33.258   1.00   32.82   8       ATOM   1604   CB   ASN A   234   41.220   27.972   −32.243   1.00   36.16   6       ATOM   1805   CG   ASN A   234   41.890   28.295   −30.919   1.00   39.98   6       ATOM   1806   OD1   ASN A   234   41.296   28.257   −29.838   1.00   40.76   8       ATOM   1807   ND2   ASN A   234   43.185   28.592   −30.922   1.00   39.55   7       ATOM   1808   N   GLU A   235   39.068   26.440   −34.127   1.00   31.44   7       ATOM   1809   CA   GLU A   235   38.223   26.392   −35.306   1.00   34.68   6       ATOM   1810   C   GLU A   235   36.779   26.082   −34.971   1.00   34.35   6       ATOM   1811   O   GLU A   235   35.878   26.565   −35.629   1.00   35.56   8       ATOM   1812   CB   GLU A   235   38.763   25.314   −36.244   1.00   36.35   6       ATOM   1813   N   LYS A   236   36.532   25.307   −33.908   1.00   36.15   7       ATOM   1814   CA   LYS A   236   35.169   24.977   −33.488   1.00   35.47   6       ATOM   1815   C   LYS A   236   34.483   26.106   −32.738   1.00   34.87   6       ATOM   1816   O   LYS A   236   33.253   26.085   −32.561   1.00   36.38   8       ATOM   1817   CB   LYS A   236   35.213   23.748   −32.577   1.00   37.47   6       ATOM   1818   CG   LYS A   236   35.609   22.450   −33.245   1.00   38.51   6       ATOM   1819   CD   LYS A   236   35.643   21.345   −32.192   1.00   40.94   6       ATOM   1820   CE   LYS A   236   36.184   20.083   −32.827   1.00   42.93   6       ATOM   1821   NZ   LYS A   236   36.231   18.973   −31.850   1.00   45.15   7       ATOM   1822   N   GLY A   237   35.225   27.094   −32.274   1.00   33.61   7       ATOM   1823   CA   GLY A   237   34.660   28.241   −31.576   1.00   33.28   6       ATOM   1824   C   GLY A   237   35.127   28.401   −30.157   1.00   32.89   6       ATOM   1825   O   GLY A   237   34.644   29.291   −29.429   1.00   36.87   8       ATOM   1826   N   PHE A   238   36.017   27.546   −29.668   1.00   30.90   7       ATOM   1827   CA   PHE A   238   36.629   27.664   −28.380   1.00   31.61   6       ATOM   1828   C   PHE A   238   37.817   28.641   −28.417   1.00   35.03   6       ATOM   1829   O   PHE A   238   38.191   29.022   −29.528   1.00   37.95   8       ATOM   1830   CB   PHE A   238   37.201   26.338   −27.875   1.00   29.76   6       ATOM   1831   CG   PHE A   238   36.165   25.258   −27.686   1.00   30.50   6       ATOM   1832   CD1   PHE A   238   35.712   24.500   −28.727   1.00   29.47   6       ATOM   1833   CD2   PHE A   238   35.679   24.979   −26.414   1.00   31.42   6       ATOM   1834   CE1   PHE A   238   34.752   23.501   −28.555   1.00   31.11   6       ATOM   1835   CE2   PHE A   238   34.731   23.986   −26.233   1.00   29.77   6       ATOM   1836   CZ   PHE A   238   34.284   23.235   −27.279   1.00   29.29   6       ATOM   1837   N   ARG A   239   38.388   28.963   −27.268   1.00   34.76   7       ATOM   1838   CA   ARG A   239   39.674   29.645   −27.216   1.00   35.49   6       ATOM   1839   C   ARG A   239   40.472   28.742   −26.270   1.00   35.32   6       ATOM   1840   O   ARG A   239   40.308   28.724   −25.057   1.00   32.89   8       ATOM   1841   CB   ARG A   239   39.721   31.088   −26.754   1.00   37.36   6       ATOM   1842   CG   ARG A   239   39.226   32.068   −27.822   1.00   39.64   6       ATOM   1843   N   ALA A   240   41.233   27.877   −26.931   1.00   36.31   7       ATOM   1844   CA   ALA A   240   42.124   26.921   −26.293   1.00   36.79   6       ATOM   1845   C   ALA A   240   42.906   27.617   −25.203   1.00   38.54   6       ATOM   1846   O   ALA A   240   43.360   28.735   −25.495   1.00   39.25   8       ATOM   1847   CB   ALA A   240   43.087   26.347   −27.333   1.00   36.86   6       ATOM   1848   N   ASP A   241   43.035   27.053   −24.024   1.00   39.01   7       ATOM   1849   CA   ASP A   241   43.689   27.789   −22.947   1.00   42.42   6       ATOM   1850   C   ASP A   241   44.867   27.010   −22.396   1.00   43.73   6       ATOM   1851   O   ASP A   241   45.894   27.608   −22.061   1.00   46.19   8       ATOM   1852   CB   ASP A   241   42.686   28.105   −21.828   1.00   43.72   6       ATOM   1853   CG   ASP A   241   43.319   28.991   −20.771   1.00   46.29   6       ATOM   1854   OD1   ASP A   241   43.712   30.124   −21.130   1.00   47.38   8       ATOM   1855   OD2   ASP A   241   43.433   28.560   −19.610   1.00   46.21   8       ATOM   1856   N   ASP A   242   44.733   25.690   −22.292   1.00   41.53   7       ATOM   1857   CA   ASP A   242   45.828   24.876   −21.764   1.00   39.46   6       ATOM   1858   C   ASP A   242   45.607   23.442   −22.177   1.00   37.10   6       ATOM   1859   O   ASP A   242   44.496   22.895   −22.059   1.00   34.02   8       ATOM   1860   CB   ASP A   242   45.908   25.001   −20.242   1.00   43.32   6       ATOM   1861   CG   ASP A   242   47.103   24.275   −19.661   1.00   47.37   6       ATOM   1862   OD1   ASP A   242   46.980   23.437   −18.736   1.00   49.59   8       ATOM   1863   OD2   ASP A   242   48.231   24.530   −20.158   1.00   50.50   8       ATOM   1864   N   ILE A   243   46.597   22.785   −22.750   1.00   33.48   7       ATOM   1865   CA   ILE A   243   46.550   21.419   −23.193   1.00   32.08   6       ATOM   1866   C   ILE A   243   47.853   20.812   −22.718   1.00   33.41   6       ATOM   1867   O   ILE A   243   48.895   21.390   −23.062   1.00   32.28   8       ATOM   1868   CB   ILE A   243   46.424   21.205   −24.719   1.00   33.19   6       ATOM   1869   CG1   ILE A   243   45.141   21.847   −25.222   1.00   33.31   6       ATOM   1870   CG2   ILE A   243   46.504   19.703   −24.995   1.00   32.88   6       ATOM   1871   CD1   ILE A   243   44.892   21.792   −26.713   1.00   33.52   6       ATOM   1872   N   GLN A   244   47.829   19.735   −21.975   1.00   33.31   7       ATOM   1873   CA   GLN A   244   49.003   19.097   −21.436   1.00   35.24       ATOM   1874   C   GLN A   244   48.849   17.592   −21.483   1.00   34.74   6       ATOM   1875   O   GLN A   244   47.741   17.056   −21.422   1.00   33.25   8       ATOM   1876   CB   GLN A   244   49.300   19.528   −19.967   1.00   39.02   6       ATOM   1877   CG   GLN A   244   49.773   20.962   −19.905   1.00   43.89   6       ATOM   1878   CD   GLN A   244   50.076   21.564   −18.569   1.00   47.28   6       ATOM   1879   OE1   GLN A   244   50.148   20.870   −17.548   1.00   48.52   3       ATOM   1880   NE2   GLN A   244   50.259   22.895   −18.597   1.00   49.46   7       ATOM   1881   N   ILE A   245   49.943   16.870   −21.716   1.00   31.86   7       ATOM   1882   CA   ILE A   245   50.000   15.439   −21.801   1.00   31.75   6       ATOM   1883   C   ILE A   245   51.110   14.967   −20.852   1.00   33.59   6       ATOM   1884   O   ILE A   245   52.183   15.586   −20.888   1.00   36.14   8       ATOM   1885   CB   ILE A   245   50.299   14.888   −23.213   1.00   33.28   6       ATOM   1886   CG1   ILE A   245   49.188   15.324   −24.177   1.00   32.78   6       ATOM   1887   CG2   ILE A   245   50.470   13.387   −23.164   1.00   33.13   6       ATOM   1888   CD1   ILE A   245   49.424   15.049   −25.648   1.00   33.13   6       ATOM   1889   N   ARG A   246   50.827   14.054   −19.946   1.00   34.84   7       ATOM   1890   CA   ARG A   246   51.816   13.609   −18.982   1.00   35.92   6       ATOM   1891   C   ARG A   246   51.687   12.122   −18.690   1.00   35.36   6       ATOM   1892   O   ARG A   246   50.697   11.461   −18.911   1.00   35.88   8       ATOM   1893   CB   ARG A   246   51.713   14.251   −17.589   1.00   36.79   6       ATOM   1894   CG   ARG A   246   51.674   15.747   −17.458   1.00   41.24   6       ATOM   1895   CD   ARG A   246   53.032   16.284   −17.914   1.00   46.18   6       ATOM   1896   NE   ARG A   246   53.251   17.654   −17.502   1.00   49.48   7       ATOM   1897   CZ   ARG A   246   53.913   18.040   −16.420   1.00   51.58   6       ATOM   1898   NH1   ARG A   246   54.466   17.155   −15.603   1.00   51.91   7       ATOM   1899   NH2   ARG A   246   54.006   19.352   −16.229   1.00   53.89   7       ATOM   1900   N   ASP A   247   52.730   11.616   −18.003   1.00   35.81   7       ATOM   1901   CA   ASP A   247   52.753   10.248   −17.537   1.00   34.88   6       ATOM   1902   C   ASP A   247   51.652   10.087   −16.495   1.00   31.75   6       ATOM   1903   O   ASP A   247   51.690   10.908   −15.584   1.00   32.95   8       ATOM   1904   CB   ASP A   247   54.146   9.952   −16.954   1.00   37.68   6       ATOM   1905   CG   ASP A   247   54.195   8.479   −16.611   1.00   39.66   6       ATOM   1906   OD1   ASP A   247   53.482   8.015   −15.710   1.00   41.79   8       ATOM   1907   OD2   ASP A   247   54.924   7.748   −17.284   1.00   42.94   8       ATOM   1908   N   ALA A   248   50.712   9.185   −16.600   1.00   33.81   7       ATOM   1909   CA   ALA A   248   49.616   9.156   −15.609   1.00   32.51   6       ATOM   1910   C   ALA A   248   50.041   8.675   −14.232   1.00   34.35   6       ATOM   1911   O   ALA A   248   49.399   9.063   −13.249   1.00   33.85   8       ATOM   1912   CB   ALA A   248   48.499   8.253   −16.070   1.00   33.01   6       ATOM   1913   N   ASP A   249   51.057   7.825   −14.103   1.00   36.10   7       ATOM   1914   CA   ASP A   249   51.462   7.281   −12.822   1.00   35.70   6       ATOM   1915   C   ASP A   249   52.421   8.185   −12.073   1.00   33.40   6       ATOM   1916   O   ASP A   249   52.399   8.230   −10.818   1.00   31.30   8       ATOM   1917   CB   ASP A   249   52.152   5.916   −13.031   1.00   39.11   6       ATOM   1918   CG   ASP A   249   51.137   5.007   −13.715   1.00   43.20   6       ATOM   1919   OD1   ASP A   249   50.028   4.826   −13.134   1.00   45.31   8       ATOM   1920   OD2   ASP A   249   51.423   4.514   −14.817   1.00   43.99   8       ATOM   1921   N   THR A   250   53.275   8.844   −12.857   1.00   31.16   7       ATOM   1922   CA   THR A   250   54.301   9.667   −12.240   1.00   32.87   6       ATOM   1923   C   THR A   250   54.087   11.144   −12.416   1.00   32.81   6       ATOM   1924   O   THR A   250   54.760   11.935   −11.789   1.00   30.56   8       ATOM   1925   CB   THR A   250   55.740   9.378   −12.792   1.00   34.12   6       ATOM   1926   OG1   THR A   250   55.779   9.795   −14.158   1.00   34.42   8       ATOM   1927   CG2   THR A   250   56.080   7.911   −12.637   1.00   34.28   6       ATOM   1928   N   LEU A   251   53.281   11.587   −13.365   1.00   32.56   7       ATOM   1929   CA   LEU A   251   52.972   12.978   −13.672   1.00   34.35   6       ATOM   1930   C   LEU A   251   54.124   13.689   −14.360   1.00   35.41   6       ATOM   1931   O   LEU A   251   54.093   14.893   −14.592   1.00   35.99   8       ATOM   1932   CB   LEU A   251   52.494   13.758   −12.418   1.00   33.68   6       ATOM   1933   CG   LEU A   251   51.220   13.147   −11.792   1.00   34.55   6       ATOM   1934   CD1   LEU A   251   50.797   13.969   −10.573   1.00   35.91   6       ATOM   1935   CD2   LEU A   251   50.101   13.012   −12.821   1.00   35.43   6       ATOM   1936   N   LEU A   252   55.194   12.962   −14.695   1.00   39.58   7       ATOM   1937   CA   LEU A   252   56.323   13.507   −15.418   1.00   40.96   6       ATOM   1938   C   LEU A   252   55.945   13.614   −16.874   1.00   43.27   6       ATOM   1939   O   LEU A   252   54.906   13.129   −17.318   1.00   40.97   8       ATOM   1940   CB   LEU A   252   57.550   12.584   −15.264   1.00   42.55   6       ATOM   1941   CG   LEU A   252   58.072   12.496   −13.823   1.00   43.46   6       ATOM   1942   CD1   LEU A   252   59.196   11.476   −13.685   1.00   44.26   6       ATOM   1943   CD2   LEU A   252   58.546   13.868   −13.341   1.00   43.34   6       ATOM   1944   N   GLU A   253   56.855   14.189   −17.659   1.00   46.27   7       ATOM   1945   CA   GLU A   253   55.716   14.144   −19.109   1.00   48.94   6       ATOM   1946   C   GLU A   253   56.642   12.706   −19.612   1.00   48.01   6       ATOM   1947   O   GLU A   253   57.291   11.928   −18.871   1.00   48.08   8       ATOM   1948   CB   GLU A   253   57.877   14.878   −19.783   1.00   52.86   6       ATOM   1949   CG   GLU A   253   57.914   16.371   −19.500   1.00   57.25   6       ATOM   1950   CD   GLU A   253   56.720   17.104   −20.077   1.00   60.45   6       ATOM   1951   OE1   GLU A   253   56.308   16.771   −21.207   1.00   61.73   8       ATOM   1952   OE2   GLU A   253   56.194   18.011   −19.397   1.00   61.77   8       ATOM   1953   N   VAL A   254   55.835   12.324   −20.596   1.00   48.66   7       ATOM   1954   CA   VAL A   254   55.849   10.887   −20.872   1.00   49.85   6       ATOM   1955   C   VAL A   254   57.149   10.638   −21.614   1.00   51.30   6       ATOM   1956   O   VAL A   254   57.658   11.494   −22.340   1.00   49.27   8       ATOM   1957   CB   VAL A   254   54.576   10.399   −21.614   1.00   51.06   6       ATOM   1958   CG1   VAL A   254   53.600   11.541   −21.825   1.00   50.21   6       ATOM   1959   CG2   VAL A   254   54.935   9.757   −22.940   1.00   51.39   6       ATOM   1960   N   SER A   255   57.636   9.432   −21.398   1.00   50.78   7       ATOM   1961   CA   SER A   255   58.878   8.951   −21.946   1.00   52.29   6       ATOM   1962   C   SER A   255   58.718   7.516   −22.423   1.00   53.07   6       ATOM   1963   O   SER A   255   57.625   6.965   −22.444   1.00   53.08   8       ATOM   1964   CB   SER A   255   59.978   8.985   −20.878   1.00   51.99   6       ATOM   1965   OG   SER A   255   59.761   7.859   −20.013   1.00   51.83   8       ATOM   1966   N   GLU A   256   59.844   6.858   −22.692   1.00   55.01   7       ATOM   1967   CA   GLU A   256   59.903   5.485   −23.155   1.00   55.63   6       ATOM   1968   C   GLU A   256   59.251   4.493   −22.207   1.00   55.82   6       ATOM   1969   O   GLU A   256   58.566   3.543   −22.591   1.00   55.91   8       ATOM   1970   CB   GLU A   256   61.380   5.091   −23.350   1.00   56.43   6       ATOM   1971   N   THR A   257   59.458   4.732   −20.919   1.00   55.14   7       ATOM   1972   CA   THR A   257   58.921   3.928   −19.846   1.00   54.05   6       ATOM   1973   C   THR A   257   57.443   4.151   −19.554   1.00   51.69   6       ATOM   1974   O   THR A   257   56.836   3.301   −18.887   1.00   51.58   8       ATOM   1975   CB   THR A   257   59.723   4.223   −18.554   1.00   55.07   6       ATOM   1976   OG1   THR A   257   59.404   5.533   −18.065   1.00   56.77   8       ATOM   1977   CG2   THR A   257   61.215   4.150   −18.828   1.00   55.65   6       ATOM   1978   N   SER A   258   56.834   5.252   −20.000   1.00   49.85   7       ATOM   1979   CA   SER A   258   55.426   5.481   −19.663   1.00   46.23   6       ATOM   1980   C   SER A   258   54.484   4.382   −20.104   1.00   46.46   6       ATOM   1981   O   SER A   258   54.511   3.984   −21.269   1.00   47.83   8       ATOM   1982   CB   SER A   258   54.950   6.783   −20.306   1.00   44.06   6       ATOM   1983   OG   SER A   258   55.742   7.841   −19.839   1.00   40.94   8       ATOM   1984   N   LYS A   259   53.626   3.905   −19.221   1.00   46.05   7       ATOM   1985   CA   LYS A   259   52.624   2.902   −19.512   1.00   46.69   6       ATOM   1986   C   LYS A   259   51.252   3.551   −19.739   1.00   45.85   6       ATOM   1987   O   LYS A   259   50.329   3.046   −20.369   1.00   45.29   8       ATOM   1988   CB   LYS A   259   52.455   1.886   −18.382   1.00   46.44   6       ATOM   1989   CG   LYS A   259   53.726   1.200   −17.920   1.00   47.93   6       ATOM   1990   N   ARG A   260   51.088   4.696   −19.069   1.00   46.77   7       ATOM   1991   CA   ARG A   260   49.800   5.397   −19.104   1.00   45.39   6       ATOM   1992   C   ARG A   260   49.991   6.882   −19.278   1.00   41.75   6       ATOM   1993   O   ARG A   260   50.970   7.421   −18.763   1.00   41.96   8       ATOM   1994   CB   ARG A   260   49.004   5.146   −17.814   1.00   48.72   6       ATOM   1995   CG   ARG A   260   48.340   3.797   −17.715   1.00   52.78   6       ATOM   1996   CD   ARG A   260   47.783   3.490   −16.342   1.00   56.11   6       ATOM   1997   NE   ARG A   260   48.800   3.016   −15.423   1.00   60.02   7       ATOM   1998   CZ   ARG A   260   49.366   1.817   −15.362   1.00   61.86   6       ATOM   1999   NH1   ARG A   260   49.066   0.806   −16.179   1.00   62.97   7       ATOM   2000   NH2   ARG A   260   50.275   1.615   −14.410   1.00   62.19   7       ATOM   2001   N   ALA A   261   49.079   7.547   −20.024   1.00   39.42   7       ATOM   2002   CA   ALA A   261   49.232   8.993   −20.107   1.00   35.31   6       ATOM   2003   C   ALA A   261   47.928   9.630   −19.612   1.00   32.26   6       ATOM   2004   O   ALA A   261   46.872   9.005   −19.790   1.00   34.66   8       ATOM   2005   CB   ALA A   261   49.538   9.504   −21.504   1.00   34.95   6       ATOM   2006   N   VAL A   262   48.060   10.831   −19.087   1.00   29.67   7       ATOM   2007   CA   VAL A   262   46.852   11.578   −18.705   1.00   27.51   6       ATOM   2008   C   VAL A   262   46.916   12.796   −19.608   1.00   27.97   6       ATOM   2009   O   VAL A   262   47.977   13.414   −19.791   1.00   26.28   8       ATOM   2010   CB   VAL A   262   46.750   11.979   −17.233   1.00   29.25   6       ATOM   2011   CG1   VAL A   262   47.995   12.725   −16.785   1.00   30.58   6       ATOM   2012   CG2   VAL A   262   45.527   12.884   −16.976   1.00   30.36   6       ATOM   2013   N   ILE A   263   45.801   13.185   −20.185   1.00   26.21   7       ATOM   2014   CA   ILE A   263   45.639   14.343   −21.031   1.00   26.33   6       ATOM   2015   C   ILE A   263   44.738   15.341   −20.300   1.00   28.09   6       ATOM   2016   O   ILE A   263   43.635   14.903   −19.935   1.00   26.14   8       ATOM   2017   CB   ILE A   263   44.977   13.970   −22.357   1.00   27.18   6       ATOM   2018   CG1   ILE A   263   45.701   12.767   −22.999   1.00   30.42   6       ATOM   2019   CG2   ILE A   263   44.931   15.184   −23.302   1.00   26.41   6       ATOM   2020   CD1   ILE A   263   44.751   11.943   −23.867   1.00   32.55   6       ATOM   2021   N   LEU A   264   45.198   16.564   −20.149   1.00   28.73   7       ATOM   2022   CA   LEU A   264   44.453   17.626   −19.514   1.00   30.58   6       ATOM   2023   C   LEU A   264   44.108   18.698   −20.530   1.00   29.44   6       ATOM   2024   O   LEU A   264   45.005   19.177   −21.235   1.00   30.50   8       ATOM   2025   CB   LEU A   264   45.273   18.264   −18.392   1.00   33.45   6       ATOM   2026   CG   LEU A   264   46.310   17.397   −17.677   1.00   35.36   6       ATOM   2027   CD1   LEU A   264   47.287   18.261   −16.855   1.00   38.43   6       ATOM   2028   CD2   LEU A   264   45.634   16.357   −16.800   1.00   36.22   6       ATOM   2029   N   VAL A   265   42.875   19.166   −20.643   1.00   28.12   7       ATOM   2030   CA   VAL A   265   42.516   20.228   −21.586   1.00   30.77   6       ATOM   2031   C   VAL A   265   41.662   21.288   −20.868   1.00   30.38   6       ATOM   2032   O   VAL A   265   40.888   20.946   −19.964   1.00   33.23   8       ATOM   2033   CB   VAL A   265   41.740   19.716   −22.798   1.00   30.45   6       ATOM   2034   CG1   VAL A   265   42.546   18.732   −23.649   1.00   31.64   6       ATOM   2035   CG2   VAL A   265   40.456   18.962   −22.415   1.00   30.65   6       ATOM   2036   N   ALA A   266   41.822   22.538   −21.233   1.00   30.29   7       ATOM   2037   CA   ALA A   266   40.992   23.628   −20.697   1.00   27.93   6       ATOM   2038   C   ALA A   266   40.722   24.514   −21.890   1.00   28.75   6       ATOM   2039   O   ALA A   266   41.687   24.771   −22.653   1.00   31.65   8       ATOM   2040   CB   ALA A   266   41.637   24.388   −19.574   1.00   28.93   6       ATOM   2041   N   ALA A   267   39.535   25.012   −22.069   1.00   27.14   7       ATOM   2042   CA   ALA A   267   39.237   25.880   −23.189   1.00   28.13   6       ATOM   2043   C   ALA A   267   38.051   26.744   −22.796   1.00   29.67   6       ATOM   2044   O   ALA A   267   37.054   26.257   −22.261   1.00   27.60   8       ATOM   2045   CB   ALA A   267   38.861   25.167   −24.478   1.00   26.05   6       ATOM   2046   N   TRP A   268   38.151   28.007   −23.166   1.00   29.63   7       ATOM   2047   CA   TRP A   268   37.074   28.951   −22.969   1.00   28.26   6       ATOM   2048   C   TRP A   268   36.049   28.766   −24.072   1.00   29.88   6       ATOM   2049   O   TRP A   268   36.407   28.609   −25.245   1.00   30.20   8       ATOM   2050   CB   TRP A   268   37.599   30.394   −22.996   1.00   30.40   6       ATOM   2051   CG   TRP A   268   38.406   30.735   −21.778   1.00   31.50   6       ATOM   2052   CD1   TRP A   268   39.756   30.638   −21.572   1.00   32.04   6       ATOM   2053   CD2   TRP A   268   37.850   31.336   −20.602   1.00   29.94   6       ATOM   2054   NE1   TRP A   268   40.071   31.097   −20.307   1.00   32.09   7       ATOM   2055   CE2   TRP A   268   38.905   31.521   −19.699   1.00   32.21   6       ATOM   2056   CE3   TRP A   268   36.543   31.660   −20.214   1.00   29.41   6       ATOM   2057   CZ2   TRP A   268   38.729   32.062   −18.420   1.00   30.97   6       ATOM   2058   CZ3   TRP A   268   36.362   32.188   −18.965   1.00   30.37   6       ATOM   2059   CH2   TRP A   268   37.448   32.390   −18.097   1.00   29.74   6       ATOM   2060   N   LEU A   269   34.789   28.947   −23.715   1.00   28.17   7       ATOM   2061   CA   LEU A   269   33.648   28.954   −24.579   1.00   29.13   6       ATOM   2062   C   LEU A   269   32.680   29.913   −23.885   1.00   29.91   6       ATOM   2063   O   LEU A   269   32.201   29.674   −22.758   1.00   25.57   8       ATOM   2064   CB   LEU A   269   33.139   27.528   −24.786   1.00   30.48   6       ATOM   2065   CG   LEU A   269   31.952   27.443   −25.719   1.00   31.96   6       ATOM   2066   CD1   LEU A   269   32.337   27.993   −27.103   1.00   30.96   6       ATOM   2067   CD2   LEU A   269   31.423   26.003   −25.790   1.00   31.19   6       ATOM   2068   N   GLY A   270   32.559   31.132   −24.446   1.00   29.19   7       ATOM   2069   CA   GLY A   270   31.738   32.156   −23.798   1.00   29.83   6       ATOM   2070   C   GLY A   270   32.341   32.563   −22.463   1.00   32.39   6       ATOM   2071   O   GLY A   270   33.549   32.829   −22.369   1.00   32.69   8       ATOM   2072   N   ASP A   271   31.552   32.562   −21.390   1.00   30.56   7       ATOM   2073   CA   ASP A   271   32.088   32.888   −20.075   1.00   31.93   6       ATOM   2074   C   ASP A   271   32.450   31.649   −19.271   1.00   31.25   6       ATOM   2075   O   ASP A   271   32.749   31.710   −18.079   1.00   30.60   8       ATOM   2076   CB   ASP A   271   31.087   33.758   −19.289   1.00   33.98   6       ATOM   2077   CG   ASP A   271   31.073   35.165   −19.921   1.00   37.85   6       ATOM   2078   OD1   ASP A   271   32.103   35.682   −20.401   1.00   38.52   8       ATOM   2079   OD2   ASP A   271   29.996   35.770   −19.944   1.00   39.53   8       ATOM   2080   N   ALA A   272   32.462   30.482   −19.903   1.00   29.77   7       ATOM   2081   CA   ALA A   272   32.828   29.254   −19.228   1.00   27.77   6       ATOM   2082   C   ALA A   272   34.256   28.826   −19.557   1.00   26.45   6       ATOM   2083   O   ALA A   272   34.545   28.837   −20.745   1.00   26.44   8       ATOM   2084   CB   ALA A   272   31.977   28.068   −19.666   1.00   27.56   6       ATOM   2085   N   ARG A   273   35.053   28.448   −18.602   1.00   25.11   7       ATOM   2086   CA   ARG A   273   36.354   27.839   −18.859   1.00   25.96   6       ATOM   2087   C   ARG A   273   36.194   26.346   −18.606   1.00   23.79   6       ATOM   2088   O   ARG A   273   36.292   25.868   −17.465   1.00   25.36   8       ATOM   2089   CB   ARG A   273   37.467   28.400   −17.962   1.00   27.51   6       ATOM   2090   CG   ARG A   273   38.864   27.853   −18.355   1.00   27.52   6       ATOM   2091   CD   ARG A   273   39.848   28.605   −17.421   1.00   28.40   6       ATOM   2092   NE   ARG A   273   41.215   28.212   −17.720   0.50   26.25   7       ATOM   2093   CZ   ARG A   273   41.850   27.144   −17.306   0.50   26.10   6       ATOM   2094   NH1   ARG A   273   41.229   26.281   −16.517   0.50   28.04   7       ATOM   2095   NH2   ARG A   273   43.107   26.909   −17.691   0.50   25.33   7       ATOM   2096   N   LEU A   274   35.918   25.587   −19.693   1.00   25.09   7       ATOM   2097   CA   LEU A   274   35.608   24.173   −19.545   1.00   23.10   6       ATOM   2098   C   LEU A   274   36.845   23.385   −19.359   1.00   23.02   6       ATOM   2099   O   LEU A   274   37.846   23.706   −20.001   1.00   24.38   8       ATOM   2100   CB   LEU A   274   34.863   23.714   −20.847   1.00   22.40   6       ATOM   2101   CG   LEU A   274   33.548   24.488   −21.045   1.00   22.92   6       ATOM   2102   CD1   LEU A   274   32.953   24.119   −22.368   1.00   25.59   6       ATOM   2103   CD2   LEU A   274   32.619   24.185   −19.846   1.00   24.66   6       ATOM   2104   N   ILE A   275   36.844   22.342   −18.576   1.00   22.01   7       ATOM   2105   CA   ILE A   275   37.965   21.529   −18.235   1.00   24.38   6       ATOM   2106   C   ILE A   275   37.640   20.072   −18.439   1.00   24.31   6       ATOM   2107   O   ILE A   275   36.504   19.675   −18.126   1.00   23.32   8       ATOM   2108   CB   ILE A   275   38.290   21.785   −16.743   1.00   27.33   6       ATOM   2109   CG1   ILE A   275   38.853   23.233   −16.577   1.00   30.12   6       ATOM   2110   CG2   ILE A   275   39.295   20.826   −16.161   1.00   32.15   6       ATOM   2111   CD1   ILE A   275   38.634   23.632   −15.112   1.00   33.95   6       ATOM   2112   N   ASP A   276   38.611   19.282   −18.865   1.00   23.56   7       ATOM   2113   CA   ASP A   276   38.347   17.845   −19.005   1.00   24.73   6       ATOM   2114   C   ASP A   276   39.702   17.125   −18.966   1.00   24.26   6       ATOM   2115   O   ASP A   276   40.768   17.741   −19.153   1.00   24.98   8       ATOM   2116   CB   ASP A   275   37.551   17.545   −20.271   1.00   24.30   6       ATOM   2117   CG   ASP A   276   36.730   16.276   −20.290   1.00   26.28   6       ATOM   2118   OD1   ASP A   276   36.927   15.468   −19.324   1.00   27.91   8       ATOM   2119   OD2   ASP A   276   35.946   16.119   −21.251   1.00   25.73   8       ATOM   2120   N   ASN A   277   39.671   15.855   −18.697   1.00   22.14   7       ATOM   2121   CA   ASN A   277   40.857   15.020   −18.682   1.00   25.69   6       ATOM   2122   C   ASN A   277   40.473   13.587   −19.027   1.00   24.93   6       ATOM   2123   O   ASN A   277   39.335   13.139   −18.920   1.00   25.86   8       ATOM   2124   CB   ASN A   277   41.608   15.073   −17.350   1.00   28.42   6       ATOM   2125   CG   ASN A   277   41.077   14.298   −16.164   1.00   32.43   6       ATOM   2126   OD1   ASN A   277   40.715   13.140   −16.247   1.00   37.45   8       ATOM   2127   ND2   ASN A   277   41.023   14.889   −14.994   1.00   35.65   7       ATOM   2128   N   LYS A   278   41.517   12.825   −19.428   1.00   28.31   7       ATOM   2129   CA   LYS A   278   41.338   11.429   −19.765   1.00   31.78   6       ATOM   2130   C   LYS A   278   42.655   10.677   −19.634   1.00   33.11   6       ATOM   2131   O   LYS A   278   43.692   11.227   −19.991   1.00   33.12   8       ATOM   2132   CB   LYS A   278   40.814   11.323   −21.189   1.00   32.53   6       ATOM   2133   CG   LYS A   278   40.748   10.008   −21.905   1.00   35.09   6       ATOM   2134   CD   LYS A   278   39.814   10.144   −23.124   1.00   38.06   6       ATOM   2135   CE   LYS A   278   39.115   8.808   −23.384   1.00   39.45   6       ATOM   2136   NZ   LYS A   278   37.984   9.018   −24.354   1.00   40.81   7       ATOM   2137   N   MET A   279   42.594   9.455   −19.139   1.00   35.39   7       ATOM   2138   CA   MET A   279   43.799   8.636   −19.046   1.00   39.07   6       ATOM   2139   C   MET A   279   43.777   7.645   −20.201   1.00   40.75   6       ATOM   2140   O   MET A   279   42.688   7.224   −20.590   1.00   39.38   8       ATOM   2141   CB   MET A   279   43.895   7.997   −17.641   1.00   42.09   6       ATOM   2142   CG   MET A   279   44.366   9.076   −16.657   1.00   45.36   6       ATOM   2143   SD   MET A   279   44.591   8.656   −14.926   1.00   51.28   16       ATOM   2144   CE   MET A   279   42.948   8.136   −14.428   1.00   49.74   6       ATOM   2145   N   VAL A   280   44.953   7.391   −20.786   1.00   41.33   7       ATOM   2146   CA   VAL A   280   44.994   6.466   −21.917   1.00   44.04   6       ATOM   2147   C   VAL A   280   46.138   5.483   −21.692   1.00   45.91   6       ATOM   2148   O   VAL A   280   47.232   5.881   −21.274   1.00   44.69   8       ATOM   2149   CB   VAL A   280   45.126   7.195   −23.265   1.00   43.07   6       ATOM   2150   CG1   VAL A   280   46.430   7.978   −23.326   1.00   43.41   6       ATOM   2151   CG2   VAL A   280   45.060   6.239   −24.439   1.00   43.94   6       ATOM   2152   N   GLU A   281   45.787   4.211   −21.867   1.00   51.13   7       ATOM   2153   CA   GLU A   281   46.797   3.151   −21.712   1.00   54.78   6       ATOM   2154   C   GLU A   281   47.658   3.176   −22.971   1.00   55.75   6       ATOM   2155   O   GLU A   281   47.155   3.235   −24.094   1.00   55.40   8       ATOM   2156   CB   GLU A   281   46.186   1.784   −21.469   1.00   56.82   6       ATOM   2157   CG   GLU A   281   45.244   1.658   −20.296   1.00   59.30   6       ATOM   2158   CD   GLU A   281   45.898   1.424   −18.957   1.00   61.75   6       ATOM   2159   OE1   GLU A   281   47.135   1.218   −18.919   1.00   62.80   8       ATOM   2160   OE2   GLU A   281   45.187   1.411   −17.923   1.00   62.74   8       ATOM   2161   N   LEU A   282   48.958   3.235   −22.781   1.00   57.94   7       ATOM   2162   CA   LEU A   282   49.944   3.334   −23.844   1.00   60.20   6       ATOM   2163   C   LEU A   282   50.394   1.966   −24.343   1.00   62.75   6       ATOM   2164   O   LEU A   282   50.792   1.813   −25.501   1.00   63.61   8       ATOM   2165   CB   LEU A   282   51.132   4.160   −23.353   1.00   60.14   6       ATOM   2166   CG   LEU A   282   51.250   5.643   −23.655   1.00   59.64   6       ATOM   2167   CD1   LEU A   282   49.954   6.281   −24.103   1.00   59.72   6       ATOM   2168   CD2   LEU A   282   51.880   6.386   −22.494   1.00   58.92   6       ATOM   2169   N   ALA A   283   50.285   0.961   −23.484   1.00   64.72   7       ATOM   2170   CA   ALA A   283   50.637   −0.410   −23.818   1.00   66.41   6       ATOM   2171   C   ALA A   283   49.397   −1.291   −23.933   1.00   67.10   6       ATOM   2172   O   ALA A   283   48.394   −0.879   −24.563   1.00   63.25   8       ATOM   2173   CB   ALA A   283   51.563   −1.007   −22.764   1.00   66.62   6            Monomer B            ATOM   2174   N   MET B   1   58.003   −23.593   11.263   1.00   36.48   7       ATOM   2175   CA   MET B   1   58.132   −22.126   11.083   1.00   33.40   6       ATOM   2176   C   MET B   1   58.194   −21.749   9.627   1.00   33.88   6       ATOM   2177   O   MET B   1   59.003   −22.271   8.843   1.00   34.96   8       ATOM   2178   CB   MET B   1   59.383   −21.686   11.860   1.00   32.85   6       ATOM   2179   CG   MET B   1   59.602   −20.178   11.711   1.00   32.05   6       ATOM   2180   SD   MET B   1   61.001   −19.706   12.738   1.00   32.48   16       ATOM   2181   CE   MET B   1   62.316   −19.795   11.507   1.00   33.02   6       ATOM   2182   N   LEU B   2   57.366   −20.850   9.145   1.00   30.67   7       ATOM   2183   CA   LEU B   2   57.332   −20.400   7.790   1.00   31.35   6       ATOM   2184   C   LEU B   2   58.315   −19.246   7.576   1.00   32.39   6       ATOM   2185   O   LEU B   2   58.367   −18.394   8.491   1.00   31.76   8       ATOM   2186   CB   LEU B   2   55.926   −19.896   7.473   1.00   35.48   6       ATOM   2187   CG   LEU B   2   54.773   −20.875   7.670   1.00   38.24   6       ATOM   2188   CD1   LEU B   2   53.410   −20.187   7.668   1.00   37.95   6       ATOM   2189   CD2   LEU B   2   54.803   −21.930   6.560   1.00   38.99   6       ATOM   2190   N   ILE B   3   58.980   −19.217   6.439   1.00   28.48   7       ATOM   2191   CA   ILE B   3   59.916   −18.162   6.099   1.00   29.00   6       ATOM   2192   C   ILE B   3   59.442   −17.553   4.806   1.00   30.65   6       ATOM   2193   O   ILE B   3   59.350   −18.257   3.778   1.00   31.80   8       ATOM   2194   CB   ILE B   3   61.380   −18.634   5.938   1.00   31.56   6       ATOM   2195   CG1   ILE B   3   61.859   −19.222   7.261   1.00   31.29   6       ATOM   2196   CG2   ILE B   3   62.257   −17.481   5.477   1.00   32.77   6       ATOM   2197   CD1   ILE B   3   63.283   −19.769   7.266   1.00   37.37   6       ATOM   2198   N   ILE B   4   58.918   −16.333   4.826   1.00   24.55   7       ATOM   2199   CA   ILE B   4   58.284   −15.663   3.748   1.00   26.13   6       ATOM   2200   C   ILE B   4   59.159   −14.534   3.279   1.00   28.00   6       ATOM   2201   O   ILE B   4   59.649   −13.738   4.079   1.00   28.39   8       ATOM   2202   CB   ILE B   4   56.926   −15.034   4.179   1.00   26.38   6       ATOM   2203   CG1   ILE B   4   56.042   −16.103   4.827   1.00   30.33   6       ATOM   2204   CG2   ILE B   4   56.248   −14.318   3.013   1.00   28.07   6       ATOM   2205   CD1   ILE B   4   55.611   −17.272   3.955   1.00   30.56   6       ATOM   2206   N   GLU B   5   59.374   −14.485   1.987   1.00   29.37   7       ATOM   2207   CA   GLU B   5   60.209   −13.449   1.380   1.00   31.10   6       ATOM   2208   C   GLU B   5   59.387   −12.614   0.487   1.00   30.29   6       ATOM   2209   O   GLU B   5   59.982   −11.574   0.059   1.00   32.17   8       ATOM   2210   CB   GLU B   5   61.292   −14.267   0.655   1.00   35.81   6       ATOM   2211   CG   GLU B   5   62.267   −15.017   1.547   1.00   40.51   6       ATOM   2212   CD   GLU B   5   63.167   −15.907   0.709   1.00   45.93   6       ATOM   2213   OE1   GLU B   5   63.562   −16.994   1.195   1.00   48.88   8       ATOM   2214   OE2   GLU B   5   63.451   −15.521   −0.447   1.00   46.38   8       ATOM   2215   N   THR B   6   58.142   −12.721   0.076   1.00   26.13   7       ATOM   2216   CA   THR B   6   57.578   −11.758   −0.836   1.00   27.91   6       ATOM   2217   C   THR B   6   56.298   −11.128   −0.207   1.00   24.93   6       ATOM   2218   O   THR B   6   55.656   −11.788   0.619   1.00   27.98   8       ATOM   2219   CB   THR B   6   57.229   −12.351   −2.205   1.00   31.04   6       ATOM   2220   OG1   THR B   6   56.159   −13.300   −2.052   1.00   30.86   8       ATOM   2221   CG2   THR B   6   58.425   −13.076   −2.851   1.00   31.94   6       ATOM   2222   N   LEU B   7   55.927   −10.037   −0.790   1.00   27.39   7       ATOM   2223   CA   LEU B   7   54.715   −9.308   −0.367   1.00   28.55   6       ATOM   2224   C   LEU B   7   53.455   −10.153   −0.636   1.00   27.46   6       ATOM   2225   O   LEU B   7   52.669   −10.343   0.308   1.00   26.58   8       ATOM   2226   CB   LEU B   7   54.583   −7.921   −0.986   1.00   29.88   6       ATOM   2227   CG   LEU B   7   55.750   −6.939   −0.729   1.00   31.25   6       ATOM   2228   CD1   LEU B   7   55.361   −5.499   −1.043   1.00   31.80   6       ATOM   2229   CD2   LEU B   7   56.271   −7.052   0.703   1.00   30.25   6       ATOM   2230   N   PRO B   8   53.288   −10.697   −1.811   1.00   28.20   7       ATOM   2231   CA   PRO B   8   52.092   −11.501   −2.092   1.00   28.01   6       ATOM   2232   C   PRO B   8   51.973   −12.671   −1.172   1.00   27.27   6       ATOM   2233   O   PRO B   8   50.869   −12.943   −0.641   1.00   26.76   8       ATOM   2234   CB   PRO B   8   52.264   −11.941   −3.550   1.00   30.16   6       ATOM   2235   CG   PRO B   8   53.126   −10.877   −4.147   1.00   30.87   6       ATOM   2236   CD   PRO B   8   54.088   −10.500   −3.047   1.00   28.88   6       ATOM   2237   N   LEU B   9   53.045   −13.427   −0.954   1.00   25.43   7       ATOM   2238   CA   LEU B   9   53.054   −14.599   −0.088   1.00   25.93   6       ATOM   2239   C   LEU B   9   52.839   −14.206   1.363   1.00   27.59   6       ATOM   2240   O   LEU B   9   52.069   −14.843   2.081   1.00   25.94   8       ATOM   2241   CB   LEU B   9   54.355   −15.416   −0.317   1.00   27.71   6       ATOM   2242   CG   LEU B   9   54.311   −16.200   −1.656   1.00   31.97   6       ATOM   2243   CD1   LEU B   9   55.671   −16.790   −1.961   1.00   30.14   6       ATOM   2244   CD2   LEU B   9   53.236   −17.279   −1.607   1.00   32.64   6       ATOM   2245   N   LEU B   10   53.323   −13.028   1.819   1.00   25.26   7       ATOM   2246   CA   LEU B   10   53.068   −12.583   3.182   1.00   23.45   6       ATOM   2247   C   LEU B   10   51.581   −12.234   3.362   1.00   22.04   6       ATOM   2248   O   LEU B   10   50.941   −12.683   4.336   1.00   22.46   8       ATOM   2249   CB   LEU B   10   53.963   −11.368   3.535   1.00   25.32   6       ATOM   2250   CG   LEU B   10   53.618   −10.738   4.917   1.00   23.24   6       ATOM   2251   CD1   LEU B   10   53.904   −11.665   6.068   1.00   21.41   6       ATOM   2252   CD2   LEU B   10   54.376   −9.417   5.105   1.00   22.97   6       ATOM   2253   N   ARG B   11   50.992   −11.537   2.407   1.00   23.80   7       ATOM   2254   CA   ARG B   11   49.591   −11.130   2.459   1.00   26.88   6       ATOM   2255   C   ARG B   11   48.681   −12.350   2.583   1.00   26.18   6       ATOM   2256   O   ARG B   11   47.707   −12.322   3.328   1.00   23.87   8       ATOM   2257   CB   ARG B   11   49.208   −10.303   1.232   1.00   26.73   6       ATOM   2258   CG   ARG B   11   49.968   −8.984   1.209   1.00   29.98   6       ATOM   2259   CD   ARG B   11   49.306   −7.986   0.278   1.00   35.78   6       ATOM   2260   NE   ARG B   11   49.673   −6.602   0.492   1.00   38.73   7       ATOM   2261   CZ   ARG B   11   50.447   −5.830   −0.254   1.00   39.79   6       ATOM   2262   NH1   ARG B   11   51.031   −6.255   −1.376   1.00   41.64   7       ATOM   2263   NH2   ARG B   11   50.651   −4.546   0.070   1.00   40.26   7       ATOM   2264   N   GLN B   12   48.992   −13.409   1.864   1.00   24.75   7       ATOM   2265   CA   GLN B   12   48.289   −14.712   1.885   1.00   23.93   6       ATOM   2266   C   GLN B   12   48.282   −15.281   3.285   1.00   23.24   6       ATOM   2267   O   GLN B   12   47.231   −15.711   3.804   1.00   23.11   8       ATOM   2268   GB   GLN B   12   48.919   −15.669   0.879   1.00   25.20   6       ATOM   2269   CG   GLN B   12   48.494   −17.114   0.983   1.00   31.10   6       ATOM   2270   CD   GLN B   12   48.983   −18.004   −0.160   1.00   33.85   6       ATOM   2271   OE1   GLN B   12   50.160   −18.359   −0.226   1.00   34.46   8       ATOM   2272   NE2   GLN B   12   48.024   −18.373   −1.035   1.00   37.05   7       ATOM   2273   N   GLN B   13   49.406   −15.241   4.018   1.00   20.76   7       ATOM   2274   CA   GLN B   13   49.531   −15.725   5.367   1.00   21.58   6       ATOM   2275   C   GLN B   13   48.755   −14.802   6.342   1.00   19.88   6       ATOM   2276   O   GLN B   13   48.070   −15.312   7.250   1.00   20.12   8       ATOM   2277   CB   GLN B   13   51.005   −15.852   5.844   1.00   22.55   6       ATOM   2278   CG   GLN B   13   51.779   −16.951   5.087   1.00   25.94   6       ATOM   2279   CD   GLN B   13   51.107   −18.297   5.150   1.00   27.86   6       ATOM   2280   OE1   GLN B   13   50.677   −18.693   6.225   1.00   28.91   8       ATOM   2281   NE2   GLN B   13   50.985   −18.937   3.993   1.00   32.63   7       ATOM   2282   N   ILE B   14   48.738   −13.510   6.042   1.00   21.05   7       ATOM   2283   CA   ILE B   14   48.035   −12.575   6.947   1.00   20.18   6       ATOM   2284   C   ILE B   14   46.501   −12.822   6.819   1.00   21.51   6       ATOM   2285   O   ILE B   14   45.800   −12.838   7.850   1.00   21.76   8       ATOM   2286   CB   ILE B   14   48.438   −11.133   6.719   1.00   21.52   6       ATOM   2287   CG1   ILE B   14   49.931   −10.873   7.014   1.00   21.53   6       ATOM   2288   CG2   ILE B   14   47.609   −10.137   7.572   1.00   20.30   6       ATOM   2289   CD1   ILE B   14   50.448   −11.493   8.287   1.00   30.36   6       ATOM   2290   N   ARG B   15   46.060   −13.042   5.580   1.00   21.97   7       ATOM   2291   CA   ARG B   15   44.640   −13.407   5.403   1.00   21.03   6       ATOM   2292   C   ARG B   15   44.328   −14.704   6.120   1.00   20.84   6       ATOM   2293   O   ARG B   15   43.231   −14.819   6.693   1.00   21.21   8       ATOM   2294   CB   ARG B   15   44.362   −13.468   3.903   1.00   23.95   6       ATOM   2295   CG   ARG B   15   44.439   −12.110   3.182   1.00   28.33   6       ATOM   2296   CD   ARG B   15   43.633   −12.304   1.885   1.00   35.29   6       ATOM   2297   NE   ARG B   15   44.463   −13.095   0.938   1.00   39.61   7       ATOM   2298   CZ   ARG B   15   45.378   −12.352   0.272   1.00   43.48   6       ATOM   2299   NH1   ARG B   15   45.533   −11.036   0.426   1.00   44.40   7       ATOM   2300   NH2   ARG B   15   46.158   −12.973   −0.594   1.00   43.72   7       ATOM   2301   N   ARG B   16   45.189   −15.724   6.069   1.00   18.66   7       ATOM   2302   CA   ARG B   16   44.923   −16.986   6.717   1.00   19.99   6       ATOM   2303   C   ARG B   16   44.816   −16.743   8.234   1.00   20.42   6       ATOM   2304   O   ARG B   16   43.855   −17.229   8.824   1.00   19.70   8       ATOM   2305   CB   ARG B   16   45.959   −18.073   6.435   1.00   22.24   6       ATOM   2306   CG   ARG B   16   45.869   −19.264   7.352   1.00   23.29   6       ATOM   2307   CD   ARG B   16   46.986   −20.277   7.132   1.00   25.24   6       ATOM   2308   NE   ARG B   16   48.309   −19.702   7.470   1.00   27.88   7       ATOM   2309   CZ   ARG B   16   48.797   −19.716   8.706   1.00   28.92   6       ATOM   2310   NH1   ARG B   16   50.016   −19.215   8.961   1.00   28.52   7       ATOM   2311   NH2   ARG B   16   48.126   −20.327   9.679   1.00   24.92   7       ATOM   2312   N   LEU B   17   45.716   −15.933   8.815   1.00   19.27   7       ATOM   2313   CA   LEU B   17   45.626   −15.699   10.270   1.00   20.77   6       ATOM   2314   C   LEU B   17   44.352   −14.990   10.702   1.00   20.30   6       ATOM   2315   O   LEU B   17   43.778   −15.286   11.759   1.00   19.03   8       ATOM   2316   CB   LEU B   17   46.900   −14.923   10.697   1.00   22.28   6       ATOM   2317   CG   LEU B   17   48.154   −15.834   10.589   1.00   20.91   6       ATOM   2318   CD1   LEU B   17   49.346   −14.854   10.747   1.00   23.26   6       ATOM   2319   CD2   LEU B   17   48.210   −16.976   11.548   1.00   23.26   6       ATOM   2320   N   ARG B   18   43.880   −14.084   9.852   1.00   20.08   7       ATOM   2321   CA   ARG B   18   42.616   −13.394   10.085   1.00   20.19   6       ATOM   2322   C   ARG B   18   41.443   −14.367   10.053   1.00   20.24   6       ATOM   2323   O   ARG B   18   40.595   −14.419   10.938   1.00   19.77   8       ATOM   2324   CB   ARG B   18   42.410   −12.287   9.049   1.00   19.52   6       ATOM   2325   CG   ARG B   18   41.388   −11.239   9.456   1.00   25.28   6       ATOM   2326   CD   ARG B   18   40.953   −10.402   8.264   1.00   30.78   6       ATOM   2327   NE   ARG B   18   42.033   −9.556   7.766   1.00   37.79   7       ATOM   2328   CZ   ARG B   18   42.285   −9.348   6.478   1.00   41.34   6       ATOM   2329   NH1   ARG B   18   41.532   −9.927   5.553   1.00   41.84   7       ATOM   2330   NH2   ARG B   18   43.290   −8.562   6.119   1.00   42.14   7       ATOM   2331   N   MET B   19   41.447   −15.266   9.053   1.00   19.56   7       ATOM   2332   CA   MET B   19   40.384   −16.272   8.983   1.00   21.07   6       ATOM   2333   C   MET B   19   40.376   −17.192   10.199   1.00   19.93   6       ATOM   2334   O   MET B   19   39.291   −17.611   10.629   1.00   18.95   8       ATOM   2335   CB   MET B   19   40.507   −17.047   7.683   1.00   21.11   6       ATOM   2336   CG   MET B   19   39.650   −18.307   7.449   1.00   22.70   6       ATOM   2337   SD   MET B   19   40.253   −19.824   8.206   1.00   21.29   16       ATOM   2338   CE   MET B   19   41.816   −20.143   7.368   1.00   22.90   6       ATOM   2339   N   GLU B   20   41.516   −17.512   10.731   1.00   18.16   7       ATOM   2340   CA   GLU B   20   41.687   −18.429   11.858   1.00   20.12   6       ATOM   2341   C   GLU B   20   41.280   −17.732   13.182   1.00   20.85   6       ATOM   2342   O   GLU B   20   41.156   −18.387   14.243   1.00   24.28   8       ATOM   2343   CB   GLU B   20   43.113   −18.960   11.945   1.00   18.82   6       ATOM   2344   CG   GLU B   20   43.467   −19.977   10.846   1.00   21.83   6       ATOM   2345   CD   GLU B   20   44.911   −20.433   10.890   1.00   26.79   6       ATOM   2346   OE1   GLU B   20   45.611   −20.063   11.869   1.00   28.93   8       ATOM   2347   OE2   GLU B   20   45.312   −21.210   9.985   1.00   26.44   8       ATOM   2348   N   GLY B   21   41.236   −16.424   13.172   1.00   21.16   7       ATOM   2349   CA   GLY B   21   40.877   −15.568   14.299   1.00   20.08   6       ATOM   2350   C   GLY B   21   42.055   −15.540   15.311   1.00   21.45   6       ATOM   2351   O   GLY B   21   41.856   −15.580   16.546   1.00   20.95   8       ATOM   2352   N   LYS B   22   43.279   −15.515   14.815   1.00   17.96   7       ATOM   2353   CA   LYS B   22   44.458   −15.503   15.668   1.00   21.37   6       ATOM   2354   C   LYS B   22   44.924   −14.091   15.953   1.00   23.78   6       ATOM   2355   O   LYS B   22   44.942   −13.267   15.041   1.00   24.76   8       ATOM   2356   CB   LYS B   22   45.638   −16.191   14.984   1.00   22.71   6       ATOM   2357   CG   LYS B   22   45.420   −17.662   14.646   1.00   25.81   6       ATOM   2358   CD   LYS B   22   45.337   −18.553   15.836   1.00   28.29   6       ATOM   2359   CE   LYS B   22   44.963   −19.997   15.550   1.00   33.33   6       ATOM   2360   NZ   LYS B   22   45.832   −20.715   14.575   1.00   29.69   7       ATOM   2361   N   ARG B   23   45.285   −13.775   17.175   1.00   19.63   7       ATOM   2362   CA   ARG B   23   45.917   −12.467   17.446   1.00   22.19   6       ATOM   2363   C   ARG B   23   47.415   −12.521   17.203   1.00   20.99   6       ATOM   2364   O   ARG B   23   48.014   −13.529   17.533   1.00   22.27   8       ATOM   2365   CB   ARG B   23   45.620   −12.042   18.877   1.00   23.98   6       ATOM   2366   CG   ARG B   23   44.149   −11.748   19.161   1.00   33.05   6       ATOM   2367   CD   ARG B   23   43.965   −11.207   20.600   1.00   35.95   6       ATOM   2368   NE   ARG B   23   44.774   −11.865   21.560   1.00   39.00   7       ATOM   2369   CZ   ARG B   23   45.045   −12.903   22.319   1.00   38.30   6       ATOM   2370   NH1   ARG B   23   44.343   −14.060   22.457   1.00   34.37   7       ATOM   2371   NH2   ARG B   23   46.204   −12.653   22.881   1.00   33.10   7       ATOM   2372   N   VAL B   24   47.873   −11.534   16.444   1.00   19.44   7       ATOM   2373   CA   VAL B   24   49.260   −11.534   15.984   1.00   19.87   6       ATOM   2374   C   VAL B   24   50.133   −10.493   16.615   1.00   20.77   6       ATOM   2375   O   VAL B   24   49.724   −9.356   16.770   1.00   20.17   8       ATOM   2376   CB   VAL B   24   49.220   −11.301   14.473   1.00   20.82   6       ATOM   2377   CG1   VAL B   24   50.587   −11.071   13.856   1.00   21.58   6       ATOM   2378   CG2   VAL B   24   48.493   −12.516   13.838   1.00   22.44   6       ATOM   2379   N   ALA B   25   51.327   −10.950   17.072   1.00   18.32   7       ATOM   2380   CA   ALA B   25   52.294   −9.989   17.591   1.00   18.65   6       ATOM   2381   C   ALA B   25   53.431   −9.885   16.600   1.00   22.09   6       ATOM   2382   O   ALA B   25   53.908   −10.915   16.053   1.00   26.60   8       ATOM   2383   CB   ALA B   25   52.871   −10.371   18.953   1.00   20.06   6       ATOM   2384   N   LEU B   26   53.922   −8.705   16.329   1.00   18.28   7       ATOM   2385   CA   LEU B   26   54.997   −8.468   15.410   1.00   16.76   6       ATOM   2386   C   LEU B   26   56.273   −8.010   16.156   1.00   20.96   6       ATOM   2387   O   LEU B   26   56.139   −7.157   17.020   1.00   21.27   8       ATOM   2388   CB   LEU B   26   54.673   −7.425   14.340   1.00   19.09   6       ATOM   2389   CG   LEU B   26   53.816   −6.890   13.487   1.00   19.40   6       ATOM   2390   CD1   LEU B   26   55.464   −7.969   12.603   1.00   21.45   6       ATOM   2391   CD2   LEU B   26   55.320   −5.738   12.604   1.00   22.40   6       ATOM   2392   N   VAL B   27   57.396   −8.642   15.874   1.00   20.49   7       ATOM   2393   CA   VAL B   27   58.684   −8.136   16.430   1.00   19.53   6       ATOM   2394   C   VAL B   27   59.576   −7.694   15.308   1.00   21.55   6       ATOM   2395   O   VAL B   27   60.170   −8.516   14.520   1.00   22.20   8       ATOM   2396   CB   VAL B   27   59.378   −9.239   17.253   1.00   21.88   6       ATOM   2397   CG1   VAL B   27   60.658   −8.617   17.884   1.00   21.20   6       ATOM   2398   CG2   VAL B   27   58.513   −9.837   18.318   1.00   20.54   6       ATOM   2399   N   PRO B   28   59.761   −6.435   14.910   1.00   20.58   7       ATOM   2400   CA   PRO B   28   60.557   −5.881   13.878   1.00   21.31   6       ATOM   2401   C   PRO B   28   62.068   −5.886   14.202   1.00   24.78   6       ATOM   2402   O   PRO B   28   62.428   −5.538   15.336   1.00   26.50   8       ATOM   2403   CB   PRO B   28   60.112   −4.424   13.720   1.00   22.66   6       ATOM   2404   CG   PRO B   28   58.741   −4.426   14.395   1.00   20.85   6       ATOM   2405   CD   PRO B   28   58.946   −5.327   15.578   1.00   20.40   6       ATOM   2406   N   THR B   29   62.875   −6.483   13.317   1.00   26.26   7       ATOM   2407   CA   THR B   29   64.329   −6.556   13.614   1.00   25.08   6       ATOM   2408   C   THR B   29   65.126   −6.328   12.359   1.00   25.98   6       ATOM   2409   O   THR B   29   64.643   −6.415   11.228   1.00   23.47   8       ATOM   2410   CB   THR B   29   64.820   −7.900   14.201   1.00   26.97   6       ATOM   2411   OG1   THR B   29   65.022   −8.817   13.088   1.00   26.74   8       ATOM   2412   CG2   THR B   29   63.914   −8.579   15.219   1.00   25.95   6       ATOM   2413   N   MET B   30   66.471   −6.078   12.560   1.00   25.32   7       ATOM   2414   CA   MET B   30   67.357   −5.995   11.415   1.00   26.82   6       ATOM   2415   C   MET B   30   68.261   −7.249   11.384   1.00   28.96   6       ATOM   2416   O   MET B   30   69.347   −7.183   10.815   1.00   30.56   8       ATOM   2417   CB   MET B   30   68.229   −4.738   11.416   1.00   26.43   6       ATOM   2418   CG   MET B   30   67.252   −3.504   11.203   1.00   27.24   6       ATOM   2419   SD   MET B   30   67.969   −2.187   10.263   1.00   28.19   16       ATOM   2420   CE   MET B   30   69.323   −1.713   11.388   1.00   33.08   6       ATOM   2421   N   GLY B   31   67.793   −8.340   11.934   1.00   27.82   7       ATOM   2422   CA   GLY B   31   68.599   −9.593   11.926   1.00   29.40   6       ATOM   2423   C   GLY B   31   69.833   −9.495   12.829   1.00   31.29   6       ATOM   2424   O   GLY B   31   69.934   −8.645   13.713   1.00   28.83   8       ATOM   2425   N   ASN B   32   70.728   −10.486   12.690   1.00   31.40   7       ATOM   2426   CA   ASN B   32   71.923   −10.565   13.552   1.00   33.60   6       ATOM   2427   C   ASN B   32   71.454   −10.664   14.982   1.00   30.00   6       ATOM   2428   O   ASN B   32   71.870   −9.961   15.906   1.00   32.23   8       ATOM   2429   CB   ASN B   32   72.857   −9.379   13.347   1.00   35.71   6       ATOM   2430   CG   ASN B   32   74.231   −9.610   13.979   1.00   39.99   6       ATOM   2431   OD1   ASN B   32   74.920   −8.633   14.294   1.00   42.85   8       ATOM   2432   ND2   ASN B   32   74.607   −10.864   14.228   1.00   40.08   7       ATOM   2433   N   LEU B   33   70.506   −11.572   15.191   1.00   30.19   7       ATOM   2434   CA   LEU B   33   69.833   −11.774   16.449   1.00   29.02   6       ATOM   2435   C   LEU B   33   70.684   −12.343   17.566   1.00   35.03   6       ATOM   2436   O   LEU B   33   71.521   −13.207   17.312   1.00   36.34   8       ATOM   2437   CB   LEU B   33   68.616   −12.717   16.279   1.00   30.07   6       ATOM   2438   CG   LEU B   33   67.670   −12.217   15.191   1.00   29.98   6       ATOM   2439   CD1   LEU B   33   66.434   −13.121   15.083   1.00   31.08   6       ATOM   2440   CD2   LEU B   33   67.221   −10.777   15.431   1.00   28.84   6       ATOM   2441   N   HIS B   34   70.295   −11.945   18.774   1.00   35.85   7       ATOM   2442   CA   HIS B   34   71.004   −12.381   19.965   1.00   39.05   6       ATOM   2443   C   HIS B   34   69.976   −12.567   21.067   1.00   37.94   6       ATOM   2444   O   HIS B   34   68.762   −12.451   20.791   1.00   37.26   8       ATOM   2445   CB   HIS B   34   72.097   −11.404   20.404   1.00   40.15   6       ATOM   2446   CG   HIS B   34   71.668   −10.006   20.714   1.00   42.43   6       ATOM   2447   ND1   HIS B   34   70.876   −9.671   21.799   1.00   44.12   7       ATOM   2448   CD2   HIS B   34   71.953   −8.848   20.062   1.00   43.13   6       ATOM   2449   CE1   HIS B   34   70.689   −8.360   21.808   1.00   44.28   6       ATOM   2450   NE2   HIS B   34   71.323   −7.840   20.763   1.00   44.67   7       ATOM   2451   N   ASP B   35   70.439   −12.874   22.263   1.00   36.30   7       ATOM   2452   CA   ASP B   35   69.531   −13.176   23.352   1.00   38.71   6       ATOM   2453   C   ASP B   35   68.539   −12.055   23.649   1.00   38.11   6       ATOM   2454   O   ASP B   35   67.448   −12.373   24.116   1.00   38.15   8       ATOM   2455   CB   ASP B   35   70.309   −13.480   24.637   1.00   43.89   6       ATOM   2456   CG   ASP B   35   71.071   −14.776   24.631   1.00   48.19   6       ATOM   2457   OD1   ASP B   35   71.046   −15.496   23.603   1.00   50.75   8       ATOM   2458   OD2   ASP B   35   71.701   −15.074   25.689   1.00   51.91   8       ATOM   2459   N   GLY B   36   68.919   −10.788   23.499   1.00   35.59   7       ATOM   2460   CA   GLY B   36   68.007   −9.688   23.778   1.00   33.96   6       ATOM   2461   C   GLY B   36   66.844   −9.774   22.751   1.00   32.11   6       ATOM   2462   O   GLY B   36   65.738   −9.524   23.235   1.00   30.98   8       ATOM   2463   N   HIS B   37   67.149   −10.177   21.521   1.00   31.48   7       ATOM   2464   CA   HIS B   37   66.006   −10.322   20.581   1.00   31.68   6       ATOM   2465   C   HIS B   37   65.118   −11.479   20.969   1.00   33.06   6       ATOM   2466   O   HIS B   37   63.861   −11.440   20.850   1.00   30.99   8       ATOM   2467   CB   HIS B   37   66.507   −10.514   19.175   1.00   31.96   6       ATOM   2468   CG   HIS B   37   67.366   −9.425   18.643   1.00   34.37   6       ATOM   2469   ND1   HIS B   37   66.888   −8.299   18.005   1.00   37.43   7       ATOM   2470   CD2   HIS B   37   68.714   −9.330   18.624   1.00   34.96   6       ATOM   2471   CE1   HIS B   37   67.890   −7.535   17.580   1.00   35.54   6       ATOM   2472   NE2   HIS B   37   69.003   −8.153   17.962   1.00   39.23   7       ATOM   2473   N   MET B   38   65.704   −12.577   21.425   1.00   31.32   7       ATOM   2474   CA   MET B   38   64.880   −13.668   22.001   1.00   31.44   6       ATOM   2475   C   MET B   38   63.959   −13.252   23.115   1.00   29.66   6       ATOM   2476   O   MET B   38   62.851   −13.809   23.253   1.00   28.40   8       ATOM   2477   CB   MET B   38   65.799   −14.827   22.487   1.00   34.21   6       ATOM   2478   CG   MET B   38   66.423   −15.620   21.375   1.00   35.15   6       ATOM   2479   SD   MET B   38   65.631   −15.970   19.832   1.00   35.12   16       ATOM   2480   CE   MET B   38   66.123   −14.628   18.770   1.00   36.33   6       ATOM   2481   N   LYS B   39   64.228   −12.300   23.996   1.00   29.09   7       ATOM   2482   CA   LYS B   39   63.368   −11.857   25.065   1.00   26.18   6       ATOM   2483   C   LYS B   39   62.142   −11.078   24.470   1.00   25.41   6       ATOM   2484   O   LYS B   39   61.042   −11.228   24.964   1.00   26.08   8       ATOM   2485   CB   LYS B   39   64.048   −10.935   26.076   1.00   27.75   6       ATOM   2486   CG   LYS B   39   63.195   −10.551   27.262   1.00   27.45   6       ATOM   2487   CD   LYS B   39   64.031   −9.643   28.216   1.00   30.13   6       ATOM   2488   CE   LYS B   39   63.142   −9.261   29.377   1.00   29.21   6       ATOM   2489   NZ   LYS B   39   63.883   −8.413   30.361   1.00   32.36   7       ATOM   2490   N   LEU B   40   62.394   −10.379   23.402   1.00   26.07   7       ATOM   2491   CA   LEU B   40   61.256   −9.741   22.709   1.00   25.52   6       ATOM   2492   C   LEU B   40   60.254   −10.805   22.220   1.00   25.72   6       ATOM   2493   O   LEU B   40   59.055   −10.609   22.293   1.00   23.50   8       ATOM   2494   CB   LEU B   40   61.702   −8.954   21.497   1.00   26.47   6       ATOM   2495   CG   LEU B   40   62.739   −7.859   21.758   1.00   30.07   6       ATOM   2496   CD1   LEU B   40   63.073   −7.128   20.474   1.00   31.00   6       ATOM   2497   CD2   LEU B   40   62.237   −6.905   22.832   1.00   30.41   6       ATOM   2498   N   VAL B   41   60.844   −11.842   21.611   1.00   25.04   7       ATOM   2499   CA   VAL B   41   59.995   −12.936   21.065   1.00   24.43   6       ATOM   2500   C   VAL B   41   59.235   −13.579   22.162   1.00   23.84   6       ATOM   2501   O   VAL B   41   58.037   −13.868   22.103   1.00   23.75   8       ATOM   2502   CB   VAL B   41   60.893   −13.922   20.289   1.00   24.40   6       ATOM   2503   CG1   VAL B   41   60.057   −15.140   19.914   1.00   24.57   6       ATOM   2504   CG2   VAL B   41   61.496   −13.337   19.019   1.00   25.66   6       ATOM   2505   N   ASP B   42   59.826   −13.850   23.376   1.00   25.85   7       ATOM   2506   CA   ASP B   42   59.130   −14.426   24.480   1.00   26.19   6       ATOM   2507   C   ASP B   42   57.994   −13.543   24.981   1.00   28.20   6       ATOM   2508   O   ASP B   42   56.910   −14.030   25.341   1.00   27.55   8       ATOM   2509   CB   ASP B   42   60.131   −14.709   25.659   1.00   29.50   6       ATOM   2510   CG   ASP B   42   61.118   −15.822   25.377   1.00   32.71   6       ATOM   2511   OD1   ASP B   42   61.051   −16.616   24.419   1.00   33.03   8       ATOM   2512   OD2   ASP B   42   62.135   −15.893   26.160   1.00   33.67   8       ATOM   2513   N   GLU B   43   58.205   −12.216   24.957   1.00   26.23   7       ATOM   2514   CA   GLU B   43   57.130   −11.321   25.355   1.00   27.21   6       ATOM   2515   C   GLU B   43   55.973   −11.339   24.327   1.00   24.30   6       ATOM   2516   O   GLU B   43   54.809   −11.340   24.709   1.00   24.66   8       ATOM   2517   CB   GLU B   43   57.676   −9.912   25.475   1.00   30.67   6       ATOM   2518   CG   GLU B   43   56.740   −8.904   26.130   1.00   36.81   6       ATOM   2519   CD   GLU B   43   56.445   −9.257   27.585   1.00   40.25   6       ATOM   2520   OE1   GLU B   43   57.347   −9.847   28.236   1.00   44.07   8       ATOM   2521   OE2   GLU B   43   55.348   −8.999   28.121   1.00   40.92   8       ATOM   2522   N   ALA B   44   56.324   −11.466   23.083   1.00   26.35   7       ATOM   2523   CA   ALA B   44   55.321   −11.474   21.969   1.00   23.41   6       ATOM   2524   C   ALA B   44   54.526   −12.754   22.079   1.00   26.63   6       ATOM   2525   O   ALA B   44   53.287   −12.728   22.074   1.00   26.61   8       ATOM   2526   CB   ALA B   44   56.007   −11.299   20.651   1.00   25.41   6       ATOM   2527   N   LYS B   45   55.209   −13.882   22.329   1.00   27.34   7       ATOM   2528   CA   LYS B   45   54.542   −15.169   22.501   1.00   29.71   6       ATOM   2529   C   LYS B   45   53.589   −15.160   23.659   1.00   28.45   6       ATOM   2530   O   LYS B   45   52.559   −15.805   23.717   1.00   28.18   8       ATOM   2531   CB   LYS B   45   55.537   −16.322   22.783   1.00   32.90   6       ATOM   2532   CG   LYS B   45   56.368   −16.726   21.588   1.00   38.80   6       ATOM   2533   CD   LYS B   45   57.724   −17.301   21.961   1.00   43.49   6       ATOM   2534   CE   LYS B   45   57.757   −18.398   23.004   1.00   46.00   6       ATOM   2535   NZ   LYS B   45   59.077   −18.396   23.727   1.00   47.62   7       ATOM   2536   N   ALA B   46   53.935   −14.446   24.748   1.00   27.58   7       ATOM   2537   CA   ALA B   46   53.076   −14.389   25.900   1.00   27.60   6       ATOM   2538   C   ALA B   46   51.831   −13.527   25.751   1.00   28.91   6       ATOM   2539   O   ALA B   46   50.905   −13.633   26.549   1.00   30.19   8       ATOM   2540   CB   ALA B   46   53.882   −13.818   27.097   1.00   28.29   6       ATOM   2541   N   ARG B   47   51.754   −12.657   24.741   1.00   26.88   7       ATOM   2542   CA   ARG B   47   50.691   −11.719   24.586   1.00   25.76   6       ATOM   2543   C   ARG B   47   49.781   −11.972   23.373   1.00   23.01   6       ATOM   2544   O   ARG B   47   48.813   −11.243   23.291   1.00   23.89   8       ATOM   2545   CB   ARG B   47   51.345   −10.312   24.433   1.00   24.92   6       ATOM   2546   CG   ARG B   47   51.975   −9.858   25.800   1.00   27.22   6       ATOM   2547   CD   ARG B   47   52.755   −8.575   25.491   1.00   29.69   6       ATOM   2548   NE   ARG B   47   53.415   −7.966   26.670   1.00   34.33   7       ATOM   2549   CZ   ARG B   47   52.861   −6.966   27.358   1.00   35.85   6       ATOM   2550   NH1   ARG B   47   51.680   −6.442   27.073   1.00   35.22   7       ATOM   2551   NH2   ARG B   47   53.555   −6.467   28.392   1.00   37.54   7       ATOM   2552   N   ALA B   48   50.203   −12.899   22.529   1.00   23.33   7       ATOM   2553   CA   ALA B   48   49.413   −13.114   21.284   1.00   23.32   6       ATOM   2554   C   ALA B   48   49.405   −14.574   20.933   1.00   26.45   6       ATOM   2555   O   ALA B   48   50.224   −15.356   21.466   1.00   24.59   8       ATOM   2556   CB   ALA B   48   50.059   −12.332   20.168   1.00   23.24   6       ATOM   2557   N   ASP B   49   48.547   −15.010   20.004   1.00   24.54   7       ATOM   2558   CA   ASP B   49   48.537   −16.394   19.594   1.00   24.90   6       ATOM   2559   C   ASP B   49   49.677   −16.770   18.689   1.00   24.42   6       ATOM   2560   O   ASP B   49   50.254   −17.869   18.668   1.00   26.07   8       ATOM   2561   CB   ASP B   49   47.237   −16.656   18.803   1.00   26.28   6       ATOM   2562   CG   ASP B   49   45.979   −16.417   19.627   1.00   30.04   6       ATOM   2563   OD1   ASP B   49   45.977   −16.990   20.754   1.00   32.57   8       ATOM   2564   OD2   ASP B   49   45.038   −15.712   19.183   1.00   30.75   8       ATOM   2565   N   VAL B   50   50.004   −15.842   17.792   1.00   20.95   7       ATOM   2566   CA   VAL B   50   50.980   −15.998   16.747   1.00   20.87   6       ATOM   2567   C   VAL B   50   52.014   −14.905   16.734   1.00   20.83   6       ATOM   2568   O   VAL B   50   51.742   −13.704   16.973   1.00   20.70   8       ATOM   2569   CB   VAL B   50   50.241   −16.031   15.369   1.00   22.53   6       ATOM   2570   CG1   VAL B   50   51.112   −15.780   14.170   1.00   26.09   6       ATOM   2571   CG2   VAL B   50   49.536   −17.393   15.199   1.00   25.40   6       ATOM   2572   N   VAL B   51   53.286   −15.325   16.567   1.00   19.42   7       ATOM   2573   CA   VAL B   51   54.373   −14.336   16.499   1.00   22.20   6       ATOM   2574   C   VAL B   51   54.975   −14.279   15.113   1.00   22.35   6       ATOM   2575   O   VAL B   51   55.400   −15.274   14.489   1.00   23.37   8       ATOM   2576   CB   VAL B   51   55.498   −14.618   17.516   1.00   23.80   6       ATOM   2577   CG1   VAL B   51   56.616   −13.574   17.449   1.00   24.48   6       ATOM   2578   CG2   VAL B   51   54.855   −14.682   18.910   1.00   28.00   6       ATOM   2579   N   VAL B   52   55.108   −13.080   14.590   1.00   18.68   7       ATOM   2580   CA   VAL B   52   55.734   −12.772   13.322   1.00   17.55   6       ATOM   2581   C   VAL B   52   57.014   −11.980   13.623   1.00   21.15   6       ATOM   2582   O   VAL B   52   56.930   −10.957   14.319   1.00   19.41   8       ATOM   2583   CB   VAL B   52   54.885   −11.936   12.341   1.00   19.87   6       ATOM   2584   CG1   VAL B   52   55.613   −11.467   11.107   1.00   19.90   6       ATOM   2585   CG2   VAL B   52   53.651   −12.759   11.943   1.00   20.31   6       ATOM   2586   N   VAL B   53   58.150   −12.469   13.104   1.00   20.72   7       ATOM   2587   CA   VAL B   53   59.396   −11.698   13.267   1.00   20.35   6       ATOM   2588   C   VAL B   53   59.854   −11.261   11.925   1.00   22.26   6       ATOM   2589   O   VAL B   53   59.933   −12.026   10.948   1.00   23.47   8       ATOM   2590   CB   VAL B   53   60.505   −12.545   13.977   1.00   20.44   6       ATOM   2591   CG1   VAL B   53   61.791   −11.700   14.053   1.00   22.35   6       ATOM   2592   CG2   VAL B   53   60.059   −13.004   15.346   1.00   22.26   6       ATOM   2593   N   SER B   54   60.144   −9.957   11.694   1.00   20.14   7       ATOM   2594   CA   SER B   54   60.629   −9.453   10.425   1.00   20.53   6       ATOM   2595   C   SER B   54   62.157   −9.208   10.601   1.00   23.03   6       ATOM   2596   O   SER B   54   62.594   −8.867   11.697   1.00   23.22   8       ATOM   2597   CB   SER B   54   59.973   −8.182   9.883   1.00   24.56   6       ATOM   2598   OG   SER B   54   60.079   −7.161   10.861   1.00   24.52   8       ATOM   2599   N   ILE B   55   62.804   −9.615   9.537   1.00   25.11   7       ATOM   2600   CA   ILE B   55   64.289   −9.443   9.508   1.00   23.93   6       ATOM   2601   C   ILE B   55   64.589   −8.756   8.220   1.00   22.42   6       ATOM   2602   O   ILE B   55   64.333   −9.214   7.082   1.00   23.75   8       ATOM   2603   CB   ILE B   55   65.017   −10.788   9.599   1.00   25.95   6       ATOM   2604   CG1   ILE B   55   64.888   −11.494   10.920   1.00   25.74   6       ATOM   2605   CG2   ILE B   55   66.512   −10.480   9.307   1.00   26.43   6       ATOM   2606   CD1   ILE B   55   65.315   −12.955   10.805   1.00   29.38   6       ATOM   2607   N   PHE B   56   65.039   −7.469   8.273   1.00   23.02   7       ATOM   2608   CA   PHE B   56   65.225   −6.624   7.153   1.00   24.66   6       ATOM   2609   C   PHE B   56   66.202   −5.465   7.454   1.00   26.79   6       ATOM   2610   O   PHE B   56   65.937   −4.712   8.392   1.00   26.50   8       ATOM   2611   CB   PHE B   56   63.878   −6.011   6.668   1.00   22.93   6       ATOM   2612   CG   PHE B   56   64.081   −5.130   5.476   1.00   24.37   6       ATOM   2613   CD1   PHE B   56   64.570   −5.602   4.262   1.00   25.67   6       ATOM   2614   CD2   PHE B   56   63.711   −3.781   5.549   1.00   23.80   6       ATOM   2615   CE1   PHE B   56   64.765   −4.758   3.193   1.00   25.30   6       ATOM   2616   CE2   PHE B   56   63.882   −2.969   4.441   1.00   25.84   6       ATOM   2617   CZ   PHE B   56   64.399   −3.429   3.249   1.00   27.27   6       ATOM   2618   N   VAL B   57   67.330   −5.512   6.717   1.00   28.13   7       ATOM   2619   CA   VAL B   57   68.347   −4.471   7.001   1.00   27.59   6       ATOM   2620   C   VAL B   57   67.968   −3.357   6.089   1.00   26.50   6       ATOM   2621   O   VAL B   57   63.047   −3.404   4.871   1.00   28.47   8       ATOM   2622   CB   VAL B   57   69.787   −5.034   6.846   1.00   28.54   6       ATOM   2623   CG1   VAL B   57   70.795   −3.915   7.235   1.00   30.14   6       ATOM   2624   CG2   VAL B   57   70.028   −6.232   7.674   1.00   27.80   6       ATOM   2625   N   ASN B   58   67.280   −2.367   6.723   1.00   27.33   7       ATOM   2626   CA   ASN B   58   66.643   −1.277   5.989   1.00   28.47   6       ATOM   2627   C   ASN B   58   67.589   −0.208   5.529   1.00   28.30   6       ATOM   2628   O   ASN B   58   68.068   0.587   6.350   1.00   29.87   8       ATOM   2629   CB   ASN B   58   65.608   −0.711   7.004   1.00   27.68   6       ATOM   2630   CG   ASN B   58   64.919   0.542   6.507   1.00   24.26   6       ATOM   2631   OD1   ASN B   58   64.739   0.717   5.301   1.00   26.55   8       ATOM   2632   ND2   ASN B   58   64.487   1.392   7.445   1.00   24.78   7       ATOM   2633   N   PRO B   59   67.828   −0.063   4.251   1.00   32.20   7       ATOM   2634   CA   PRO B   59   68.766   0.929   3.749   1.00   32.85   6       ATOM   2635   C   PRO B   59   68.415   2.336   4.177   1.00   35.54   6       ATOM   2636   O   PRO B   59   69.298   3.191   4.360   1.00   33.70   8       ATOM   2637   CB   PRO B   59   68.703   0.729   2.239   1.00   36.08   6       ATOM   2638   CG   PRO B   59   68.404   −0.761   2.113   1.00   35.06   6       ATOM   2639   CD   PRO B   59   67.336   −0.957   3.170   1.00   34.20   6       ATOM   2640   N   MET B   60   67.111   2.642   4.360   1.00   34.39   7       ATOM   2641   CA   MET B   60   66.683   3.994   4.699   1.00   36.32   6       ATOM   2642   C   MET B   60   67.197   4.523   6.022   1.00   37.35   6       ATOM   2643   O   MET B   60   67.169   5.772   6.239   1.00   38.05   8       ATOM   2644   CB   MET B   60   65.148   4.088   4.790   1.00   37.91   6       ATOM   2645   CG   MET B   60   64.450   4.720   3.624   1.00   39.92   6       ATOM   2646   SD   MET B   60   62.934   5.666   4.060   1.00   39.02   16       ATOM   2647   CE   MET B   60   61.890   5.076   2.719   1.00   40.24   6       ATOM   2648   N   GLN B   61   67.520   3.632   6.950   1.00   36.15   7       ATOM   2649   CA   GLN B   61   67.973   4.079   8.262   1.00   37.72   6       ATOM   2650   C   GLN B   61   69.493   3.884   8.375   1.00   39.87   6       ATOM   2651   O   GLN B   61   70.042   3.727   9.476   1.00   42.79   8       ATOM   2652   CB   GLN B   61   67.179   3.390   9.361   1.00   35.80   6       ATOM   2653   CG   GLN B   61   67.540   1.949   9.681   1.00   32.41   6       ATOM   2654   CD   GLN B   61   66.514   1.303   10.572   1.00   29.81   6       ATOM   2655   OE1   GLN B   61   65.349   0.972   10.194   1.00   28.50   8       ATOM   2656   NE2   GLN B   61   66.860   0.939   11.787   1.00   27.42   7       ATOM   2657   N   PHE B   62   70.210   3.961   7.244   1.00   39.42   7       ATOM   2658   CA   PHE B   62   71.665   3.901   7.241   1.00   40.52   6       ATOM   2659   C   PHE B   62   72.216   5.205   6.643   1.00   43.48   6       ATOM   2660   O   PHE B   62   71.742   5.679   5.613   1.00   41.80   8       ATOM   2661   CB   PHE B   62   72.285   2.727   6.462   1.00   39.44   6       ATOM   2662   CG   PHE B   62   72.261   1.476   7.310   1.00   38.25   6       ATOM   2663   CD1   PHE B   62   71.094   0.697   7.350   1.00   37.73   6       ATOM   2664   CD2   PHE B   62   73.329   1.085   8.076   1.00   37.32   6       ATOM   2665   CE1   PHE B   62   71.053   −0.422   8.157   1.00   37.14   6       ATOM   2666   CE2   PHE B   62   73.294   −0.044   8.870   1.00   36.89   6       ATOM   2667   CZ   PHE B   62   72.145   −0.325   8.902   1.00   37.49   6       ATOM   2668   N   ASP B   63   73.267   5.723   7.257   1.00   48.37   7       ATOM   2669   CA   ASP B   63   73.887   6.980   6.816   1.00   51.97   6       ATOM   2670   C   ASP B   63   74.709   6.872   5.539   1.00   53.02   6       ATOM   2671   O   ASP B   63   74.642   7.765   4.679   1.00   53.58   8       ATOM   2672   CB   ASP B   63   74.800   7.511   7.922   1.00   53.54   6       ATOM   2673   CG   ASP B   63   74.087   7.668   9.251   1.00   55.47   6       ATOM   2674   OD1   ASP B   63   72.832   7.712   9.265   1.00   57.99   8       ATOM   2675   OD2   ASP B   63   74.767   7.751   10.294   1.00   56.33   8       ATOM   2676   N   ARG B   64   75.521   5.830   5.420   1.00   52.77   7       ATOM   2677   CA   ARG B   64   76.344   5.697   4.211   1.00   54.08   6       ATOM   2678   C   ARG B   64   76.323   4.250   3.759   1.00   54.41   6       ATOM   2679   O   ARG B   64   76.037   3.392   4.582   1.00   53.32   8       ATOM   2680   CB   ARG B   64   77.758   6.205   4.486   1.00   53.78   6       ATOM   2681   N   PRO B   65   76.658   3.987   2.505   1.00   56.79   7       ATOM   2682   CA   PRO B   65   76.654   2.637   1.974   1.00   57.90   6       ATOM   2683   C   PRO B   65   77.533   1.632   2.682   1.00   59.54   6       ATOM   2684   O   PRO B   65   77.159   0.456   2.659   1.00   59.29   8       ATOM   2685   CB   PRO B   65   77.123   2.790   0.528   1.00   58.01   6       ATOM   2686   CG   PRO B   65   77.017   4.235   0.201   1.00   58.02   6       ATOM   2687   CD   PRO B   65   77.011   5.007   1.489   1.00   57.36   6       ATOM   2688   N   GLU B   66   78.651   1.990   3.291   1.00   60.73   7       ATOM   2689   CA   GLU B   66   79.545   1.029   3.926   1.00   60.74   6       ATOM   2690   C   GLU B   66   78.996   0.590   5.268   1.00   58.41   6       ATOM   2691   O   GLU B   66   79.184   −0.554   5.672   1.00   59.32   8       ATOM   2692   CB   GLU B   66   80.949   1.612   4.114   1.00   63.95   6       ATOM   2693   CG   GLU B   66   81.554   2.085   2.807   1.00   67.09   6       ATOM   2694   CD   GLU B   66   81.129   3.469   2.387   1.00   69.60   6       ATOM   2695   OE1   GLU B   66   80.077   4.027   2.774   1.00   71.11   8       ATOM   2696   OE2   GLU B   66   81.873   4.122   1.612   1.00   71.37   8       ATOM   2697   N   ASP B   67   78.271   1.521   5.890   1.00   55.22   7       ATOM   2698   CA   ASP B   67   77.618   1.142   7.151   1.00   53.44   6       ATOM   2699   C   ASP B   67   76.586   0.068   6.773   1.00   49.67   6       ATOM   2700   O   ASP B   67   76.505   −0.978   7.418   1.00   47.57   8       ATOM   2701   CB   ASP B   67   77.109   2.400   7.818   1.00   55.45   6       ATOM   2702   CG   ASP B   67   78.226   3.389   8.134   1.00   58.05   6       ATOM   2703   OD1   ASP B   67   79.352   3.283   7.602   1.00   58.16   8       ATOM   2704   OD2   ASP B   67   77.993   4.307   8.954   1.00   58.74   8       ATOM   2705   N   LEU B   68   75.906   0.243   5.640   1.00   47.47   7       ATOM   2706   CA   LEU B   68   74.908   −0.706   5.170   1.00   45.94   6       ATOM   2707   C   LEU B   68   75.575   −2.002   4.715   1.00   46.59   6       ATOM   2708   O   LEU B   68   75.241   −3.082   5.201   1.00   47.70   8       ATOM   2709   CB   LEU B   68   74.066   −0.198   4.001   1.00   44.25   6       ATOM   2710   CG   LEU B   68   72.989   −1.184   3.489   1.00   42.50   6       ATOM   2711   CD1   LEU B   68   72.064   −1.563   4.634   1.00   40.69   6       ATOM   2712   CD2   LEU B   68   72.214   −0.620   2.317   1.00   42.43   6       ATOM   2713   N   ALA B   69   76.513   −1.866   3.793   1.00   46.99   7       ATOM   2714   CA   ALA B   69   77.238   −3.024   3.259   1.00   47.49   6       ATOM   2715   C   ALA B   69   77.930   −3.829   4.337   1.00   46.64   6       ATOM   2716   O   ALA B   69   77.913   −5.072   4.256   1.00   48.02   8       ATOM   2717   CB   ALA B   69   78.258   −2.532   2.235   1.00   48.47   6       ATOM   2718   N   ARG B   70   78.475   −3.201   5.370   1.00   45.74   7       ATOM   2719   CA   ARG B   70   79.158   −3.961   6.411   1.00   44.24   6       ATOM   2720   C   ARG B   70   78.246   −4.487   7.495   1.00   44.00   6       ATOM   2721   O   ARG B   70   78.700   −5.308   8.281   1.00   41.15   8       ATOM   2722   CB   ARG B   70   80.247   −3.071   7.038   1.00   46.62   6       ATOM   2723   N   TYR B   71   76.966   −4.108   7.573   1.00   41.84   7       ATOM   2724   CA   TYR B   71   76.076   −4.624   8.609   1.00   39.35   6       ATOM   2725   C   TYR B   71   75.935   −6.141   8.508   1.00   37.54   6       ATOM   2726   O   TYR B   71   75.788   −6.673   7.410   1.00   37.39   8       ATOM   2727   CB   TYR B   71   74.712   −3.919   8.487   1.00   38.73   6       ATOM   2728   CG   TYR B   71   73.927   −4.054   9.778   1.00   36.95   6       ATOM   2729   CD1   TYR B   71   74.099   −3.155   10.806   1.00   34.97   6       ATOM   2730   CD2   TYR B   71   72.993   −5.079   9.946   1.00   35.71   6       ATOM   2731   CE1   TYR B   71   73.405   −3.260   12.004   1.00   35.01   6       ATOM   2732   CE2   TYR B   71   72.287   −5.192   11.109   1.00   33.37   6       ATOM   2733   CZ   TYR B   71   72.462   −4.292   12.119   1.00   34.69   6       ATOM   2734   OH   TYR B   71   71.765   −4.407   13.290   1.00   34.77   8       ATOM   2735   N   PRO B   72   75.985   −6.835   9.625   1.00   37.73   7       ATOM   2736   CA   PRO B   72   76.030   −8.293   9.644   1.00   40.09   6       ATOM   2737   C   PRO B   72   74.756   −8.966   9.194   1.00   42.74   6       ATOM   2738   O   PRO B   72   73.697   −8.753   9.783   1.00   42.94   8       ATOM   2739   CB   PRO B   72   76.369   −8.681   11.080   1.00   39.27   6       ATOM   2740   CG   PRO B   72   76.366   −7.442   11.876   1.00   39.73   6       ATOM   2741   CD   PRO B   72   76.222   −6.266   10.967   1.00   37.89   6       ATOM   2742   N   ARG B   73   74.856   −9.773   8.147   1.00   42.53   7       ATOM   2743   CA   ARG B   73   73.687   −10.492   7.639   1.00   43.36   6       ATOM   2744   C   ARG B   73   73.881   −11.945   7.992   1.00   43.07   6       ATOM   2745   O   ARG B   73   74.875   −12.526   7.534   1.00   42.68   8       ATOM   2746   CB   ARG B   73   73.524   −10.225   6.143   1.00   45.53   6       ATOM   2747   CG   ARG B   73   73.306   −8.700   5.962   1.00   48.13   6       ATOM   2748   CD   ARG B   73   72.868   −8.393   4.559   1.00   49.65   6       ATOM   2749   NE   ARG B   73   72.537   −7.021   4.268   1.00   51.16   7       ATOM   2750   CZ   ARG B   73   73.255   −5.930   4.486   1.00   51.88   6       ATOM   2751   NH1   ARG B   73   74.449   −5.968   5.071   1.00   53.24   7       ATOM   2752   NH2   ARG B   73   72.779   −4.755   4.085   1.00   51.96   7       ATOM   2753   N   THR B   74   73.054   −12.505   8.869   1.00   40.78   7       ATOM   2754   CA   THR B   74   73.184   −13.870   9.338   1.00   38.76   6       ATOM   2755   C   THR B   74   71.806   −14.564   9.373   1.00   36.02   6       ATOM   2756   O   THR B   74   71.381   −15.074   10.395   1.00   35.74   8       ATOM   2757   CB   THR B   74   73.825   −13.949   10.726   1.00   39.81   6       ATOM   2758   OG1   THR B   74   72.965   −13.304   11.686   1.00   41.92   8       ATOM   2759   CG2   THR B   74   75.176   −13.231   10.872   1.00   39.68   6       ATOM   2760   N   LEU B   75   71.163   −14.648   8.241   1.00   38.10   7       ATOM   2761   CA   LEU B   75   69.795   −15.148   8.140   1.00   38.95   6       ATOM   2762   C   LEU B   75   69.657   −16.574   8.644   1.00   39.45   6       ATOM   2763   O   LEU B   75   68.791   −16.843   9.478   1.00   37.24   8       ATOM   2764   CB   LEU B   75   69.269   −15.024   6.693   1.00   41.95   6       ATOM   2765   CG   LEU B   75   67.785   −15.355   6.505   1.00   42.42   6       ATOM   2766   CD1   LEU B   75   66.907   −14.527   7.453   1.00   43.76   6       ATOM   2767   CD2   LEU B   75   67.332   −15.146   5.070   1.00   42.42   6       ATOM   2768   N   GLN B   76   70.525   −17.509   8.187   1.00   39.28   7       ATOM   2769   CA   GLN B   76   70.400   −18.884   8.667   1.00   39.73   6       ATOM   2770   C   GLN B   76   70.476   −18.965   10.181   1.00   36.54   6       ATOM   2771   O   GLN B   76   69.671   −19.700   10.759   1.00   35.73   8       ATOM   2772   CB   GLN B   76   71.477   −19.872   8.150   1.00   42.75   6       ATOM   2773   CG   GLN B   76   71.375   −21.209   8.897   1.00   45.19   6       ATOM   2774   CD   GLN B   76   72.464   −22.227   8.683   1.00   48.00   6       ATOM   2775   OE1   GLN B   76   72.386   −23.355   9.236   1.00   51.20   8       ATOM   2776   NE2   GLN B   76   73.482   −21.896   7.921   1.00   46.67   7       ATOM   2777   N   GLU B   77   71.442   −18.317   10.808   1.00   33.90   7       ATOM   2778   CA   GLU B   77   71.585   −18.356   12.259   1.00   33.25   6       ATOM   2779   C   GLU B   77   70.408   −17.708   13.013   1.00   32.48   6       ATOM   2780   O   GLU B   77   69.960   −18.170   14.072   1.00   31.46   8       ATOM   2781   CB   GLU B   77   72.885   −17.636   12.627   1.00   33.79   6       ATOM   2782   N   ASP B   78   69.915   −16.625   12.388   1.00   32.55   7       ATOM   2783   CA   ASP B   78   68.738   −15.937   12.973   1.00   30.24   6       ATOM   2784   C   ASP B   78   67.576   −16.964   12.993   1.00   28.55   6       ATOM   2785   O   ASP B   78   66.981   −17.174   14.032   1.00   29.32   8       ATOM   2786   CB   ASP B   78   68.337   −14.697   12.209   1.00   31.08   6       ATOM   2787   CG   ASP B   78   69.331   −13.551   12.195   1.00   34.64   6       ATOM   2788   OD1   ASP B   78   70.144   −13.494   13.151   1.00   37.80   8       ATOM   2789   OD2   ASP B   78   69.328   −12.744   11.228   1.00   36.82   8       ATOM   2790   N   CYS B   79   67.355   −17.543   11.825   1.00   30.19   7       ATOM   2791   CA   CYS B   79   66.231   −18.500   11.625   1.00   33.57   6       ATOM   2792   C   CYS B   79   66.327   −19.720   12.495   1.00   35.51   6       ATOM   2793   O   CYS B   79   65.350   −20.136   13.149   1.00   34.66   8       ATOM   2794   CB   CYS B   79   66.184   −18.792   10.132   1.00   33.80   6       ATOM   2795   SG   CYS B   79   65.381   −17.456   9.190   1.00   37.92   16       ATOM   2796   N   GLU B   80   67.543   −20.281   12.707   1.00   36.68   7       ATOM   2797   CA   GLU B   80   67.692   −21.347   13.691   1.00   35.97   6       ATOM   2798   C   GLU B   80   67.370   −20.883   15.088   1.00   33.68   6       ATOM   2799   O   GLU B   80   66.764   −21.625   15.883   1.00   34.88   8       ATOM   2800   CB   GLU B   80   69.130   −21.906   13.660   1.00   36.66   6       ATOM   2801   N   LYS B   82   67.668   −19.638   15.520   1.00   34.02   7       ATOM   2802   CA   LYS B   81   67.277   −19.253   16.875   1.00   31.36   6       ATOM   2803   C   LYS B   81   65.756   −19.047   17.017   1.00   30.38   6       ATOM   2804   O   LYS B   81   65.183   −19.326   18.068   1.00   29.64   8       ATOM   2805   CB   LYS B   81   67.967   −17.965   17.314   1.00   35.26   6       ATOM   2806   CG   LYS B   81   69.451   −18.114   17.566   1.00   37.30   6       ATOM   2807   CD   LYS B   81   70.118   −16.744   17.730   1.00   39.14   6       ATOM   2808   CE   LYS B   81   71.635   −17.011   17.782   1.00   41.26   6       ATOM   2809   NZ   LYS B   81   72.310   −15.733   18.142   1.00   43.00   7       ATOM   2810   N   LEU B   82   65.158   −18.495   15.965   1.00   30.34   7       ATOM   2811   CA   LEU B   82   63.700   −18.248   16.019   1.00   30.06   6       ATOM   2812   C   LEU B   82   62.914   −19.540   16.028   1.00   32.53   6       ATOM   2813   O   LEU B   82   61.880   −19.695   16.694   1.00   32.69   8       ATOM   2814   CB   LEU B   82   63.335   −17.328   14.845   1.00   30.48   6       ATOM   2815   CG   LEU B   82   63.981   −15.924   14.936   1.00   28.69   6       ATOM   2816   CD1   LEU B   82   63.820   −15.222   13.603   1.00   25.14   6       ATOM   2817   CD2   LEU B   82   63.412   −15.105   16.103   1.00   28.77   6       ATOM   2818   N   ASN B   83   63.438   −20.549   15.323   1.00   33.22   7       ATOM   2819   CA   ASN B   83   62.748   −21.849   15.282   1.00   36.28   6       ATOM   2820   C   ASN B   83   62.747   −22.507   16.648   1.00   36.28   6       ATOM   2821   O   ASN B   83   61.735   −23.043   17.139   1.00   35.49   8       ATOM   2822   CB   ASN B   83   63.419   −22.656   14.181   1.00   39.05   6       ATOM   2823   CG   ASN B   83   62.717   −23.983   13.943   1.00   42.41   6       ATOM   2824   OD1   ASN B   83   63.382   −25.000   14.194   1.00   45.42   8       ATOM   2825   ND2   ASN B   83   61.474   −23.962   13.533   1.00   41.68   7       ATOM   2826   N   LYS B   84   63.820   −22.351   17.437   1.00   37.37   7       ATOM   2827   CA   LYS B   84   63.850   −22.927   18.780   1.00   39.89   6       ATOM   2828   C   LYS B   84   62.942   −22.200   19.747   1.00   40.11   6       ATOM   2829   O   LYS B   84   62.533   −22.693   20.801   1.00   40.80   8       ATOM   2830   CB   LYS B   84   65.305   −22.932   19.291   1.00   39.81   6       ATOM   2831   N   ARG B   85   62.590   −20.942   19.425   1.00   40.09   7       ATOM   2832   CA   ARG B   85   61.718   −20.125   20.235   1.00   39.63   6       ATOM   2833   C   ARG B   85   60.260   −20.305   19.812   1.00   40.59   6       ATOM   2834   O   ARG B   85   59.373   −19.647   20.334   1.00   42.54   8       ATOM   2835   CB   ARG B   85   62.093   −18.647   20.134   1.00   40.48   6       ATOM   2836   CG   ARG B   85   62.052   −17.972   21.510   1.00   41.38   6       ATOM   2837   CD   ARG B   85   63.336   −18.317   22.253   1.00   42.99   6       ATOM   2838   NE   ARG B   85   63.380   −17.724   23.588   1.00   42.49   7       ATOM   2839   CZ   ARG B   85   64.475   −17.764   24.342   1.00   43.47   6       ATOM   2840   NH1   ARG B   85   64.483   −17.233   25.553   1.00   42.44   7       ATOM   2841   NH2   ARG B   85   65.570   −18.361   23.872   1.00   44.83   7       ATOM   2842   N   LYS B   86   60.041   −21.151   18.827   1.00   39.06   7       ATOM   2843   CA   LYS B   86   58.702   −21.492   18.348   1.00   38.48   6       ATOM   2844   C   LYS B   86   57.996   −20.296   17.712   1.00   36.35   6       ATOM   2845   O   LYS B   86   56.785   −20.127   17.808   1.00   34.81   8       ATOM   2846   CB   LYS B   86   57.903   −22.087   19.511   1.00   39.68   6       ATOM   2847   N   VAL B   87   58.751   −19.515   16.953   1.00   33.22   7       ATOM   2848   CA   VAL B   87   58.133   −18.416   16.204   1.00   29.42   6       ATOM   2849   C   VAL B   87   57.340   −18.986   15.051   1.00   30.11   6       ATOM   2850   O   VAL B   87   57.704   −19.959   14.359   1.00   29.33   8       ATOM   2851   CB   VAL B   87   59.267   −17.508   15.732   1.00   27.19   6       ATOM   2852   CG1   VAL B   87   58.859   −16.637   14.581   1.00   28.11   6       ATOM   2853   CG2   VAL B   87   59.756   −16.544   16.909   1.00   28.45   6       ATOM   2854   N   ASP B   88   56.179   −18.408   14.740   1.00   27.32   7       ATOM   2855   CA   ASP B   88   55.356   −18.963   13.667   1.00   26.78   6       ATOM   2856   C   ASP B   88   55.780   −18.589   12.285   1.00   26.80   6       ATOM   2857   O   ASP B   88   55.687   −19.415   11.342   1.00   26.44   8       ATOM   2858   CB   ASP B   88   53.895   −18.488   13.889   1.00   29.04   6       ATOM   2859   CG   ASP B   88   53.482   −18.856   15.298   1.00   30.71   6       ATOM   2860   OD1   ASP B   88   52.991   −20.020   15.427   1.00   32.60   8       ATOM   2861   OD2   ASP B   88   53.717   −18.147   16.323   1.00   30.59   8       ATOM   2862   N   LEU B   89   56.204   −17.356   12.062   1.00   23.49   7       ATOM   2863   CA   LEU B   89   56.498   −16.854   10.756   1.00   23.51   6       ATOM   2864   C   LEU B   89   57.676   −15.880   10.729   1.00   23.91   6       ATOM   2865   O   LEU B   89   57.609   −14.975   11.552   1.00   24.58   8       ATOM   2866   CB   LEU B   89   55.236   −16.101   10.292   1.00   26.12   6       ATOM   2867   CG   LEU B   89   55.179   −15.845   8.823   1.00   29.47   6       ATOM   2868   CD1   LEU B   89   53.725   −15.783   8.333   1.00   31.30   6       ATOM   2869   CD2   LEU B   89   55.883   −14.542   8.494   1.00   32.84   6       ATOM   2870   N   VAL B   90   58.629   −15.971   9.842   1.00   23.43   7       ATOM   2871   CA   VAL B   90   59.716   −15.006   9.714   1.00   23.35   6       ATOM   2872   C   VAL B   90   59.553   −14.315   8.413   1.00   24.66   6       ATOM   2873   O   VAL B   90   59.386   −14.905   7.324   1.00   24.98   8       ATOM   2874   CB   VAL B   90   61.116   −15.722   9.862   1.00   23.84   6       ATOM   2875   CG1   VAL B   90   62.212   −14.701   9.640   1.00   26.41   6       ATOM   2876   CG2   VAL B   90   61.195   −16.379   11.217   1.00   23.75   6       ATOM   2877   N   PHE B   91   59.462   −12.972   8.351   1.00   23.00   7       ATOM   2878   CA   PHE B   91   59.363   −12.240   7.147   1.00   21.82   6       ATOM   2879   C   PHE B   91   60.754   −11.693   6.787   1.00   24.30   6       ATOM   2880   O   PHE B   91   61.258   −10.892   7.578   1.00   25.55   8       ATOM   2881   CB   PHE B   91   58.346   −11.073   7.207   1.00   20.44   6       ATOM   2882   CG   PHE B   91   58.180   −10.275   5.969   1.00   22.85   6       ATOM   2883   CD1   PHE B   91   58.030   −10.779   4.676   1.00   21.26   6       ATOM   2884   CD2   PHE B   91   58.164   −8.848   6.101   1.00   22.68   6       ATOM   2885   CE1   PHE B   91   57.900   −9.976   3.571   1.00   22.13   6       ATOM   2886   CE2   PHE B   91   58.006   −8.055   4.990   1.00   21.70   6       ATOM   2887   CZ   PHE B   91   57.852   −8.587   3.703   1.00   23.17   6       ATOM   2888   N   ALA B   92   61.345   −12.164   5.695   1.00   24.62   7       ATOM   2889   CA   ALA B   92   62.738   −11.659   5.375   1.00   23.61   6       ATOM   2890   C   ALA B   92   62.815   −11.216   3.975   1.00   25.99   6       ATOM   2891   O   ALA B   92   63.216   −12.052   3.123   1.00   27.84   8       ATOM   2892   CB   ALA B   92   63.656   −12.811   5.743   1.00   25.77   6       ATOM   2893   N   PRO B   93   62.300   −10.088   3.518   1.00   25.21   7       ATOM   2894   CA   PRO B   93   62.258   −9.655   2.170   1.00   26.28   6       ATOM   2895   C   PRO B   93   63.583   −9.189   1.617   1.00   25.56   6       ATOM   2896   O   PRO B   93   64.455   −8.761   2.381   1.00   27.95   6       ATOM   2897   CB   PRO B   93   61.283   −8.471   2.238   1.00   26.93   6       ATOM   2898   CG   PRO B   93   61.547   −7.888   3.586   1.00   26.11   6       ATOM   2899   CD   PRO B   93   61.769   −9.060   4.516   1.00   24.38   6       ATOM   2900   N   SER B   94   63.668   −9.114   0.292   1.00   28.86   7       ATOM   2901   CA   SER B   94   64.891   −8.524   −0.309   1.00   30.21   6       ATOM   2902   C   SER B   94   64.735   −7.010   −0.305   1.00   31.63   6       ATOM   2903   O   SER B   94   63.635   −6.521   −0.100   1.00   27.09   8       ATOM   2904   CB   SER B   94   65.138   −8.951   −1.719   1.00   28.52   6       ATOM   2905   OG   SER B   94   64.254   −8.353   −2.673   1.00   29.83   8       ATOM   2906   N   VAL B   95   65.802   −6.264   −0.628   1.00   32.49   7       ATOM   2907   CA   VAL B   95   65.724   −4.840   −0.723   1.00   31.55   6       ATOM   2908   C   VAL B   95   64.919   −4.487   −1.938   1.00   31.75   6       ATOM   2909   O   VAL B   95   64.138   −3.540   −1.883   1.00   31.41   8       ATOM   2910   CB   VAL B   95   67.144   −4.172   −0.780   1.00   32.74   6       ATOM   2911   CG1   VAL B   95   67.050   −2.736   −1.221   1.00   34.17   6       ATOM   2912   CG2   VAL B   95   67.813   −4.258   0.570   1.00   33.43   6       ATOM   2913   N   LYS B   96   65.004   −5.262   −3.023   1.00   31.26   7       ATOM   2914   CA   LYS B   96   64.226   −5.022   −4.212   1.00   31.62   6       ATOM   2915   C   LYS B   96   62.744   −5.267   −3.889   1.00   29.22   6       ATOM   2916   O   LYS B   96   61.905   −4.611   −4.487   1.00   32.48   8       ATOM   2917   CB   LYS B   96   64.685   −5.913   −5.380   1.00   32.35   6       ATOM   2918   N   GLU B   97   62.464   −6.172   −2.988   1.00   30.27   7       ATOM   2919   CA   GLU B   97   61.056   −6.463   −2.667   1.00   31.03   6       ATOM   2920   C   GLU B   97   60.375   −5.301   −1.936   1.00   30.11   6       ATOM   2921   O   GLU B   97   59.235   −4.950   −2.211   1.00   31.04   8       ATOM   2922   CB   GLU B   97   61.000   −7.749   −1.850   1.00   32.49   6       ATOM   2923   CG   GLU B   97   59.570   −8.220   −1.623   1.00   33.54   6       ATOM   2924   CD   GLU B   97   58.875   −8.792   −2.844   1.00   35.26   6       ATOM   2925   OE1   GLU B   97   59.540   −9.132   −3.867   1.00   34.07   8       ATOM   2926   OE2   GLU B   97   57.632   −8.980   −2.841   1.00   32.87   8       ATOM   2927   N   ILE B   98   61.084   −4.723   −0.999   1.00   28.92   7       ATOM   2928   CA   ILE B   98   60.582   −3.564   −0.235   1.00   28.98   6       ATOM   2929   C   ILE B   98   60.727   −2.241   −0.955   1.00   30.40   6       ATOM   2930   O   ILE B   98   59.849   −1.353   −0.964   1.00   25.83   8       ATOM   2931   CB   ILE B   98   61.320   −3.544   1.123   1.00   26.40   6       ATOM   2932   CG1   ILE B   98   60.992   −4.753   1.985   1.00   30.78   6       ATOM   2933   CG2   ILE B   98   60.988   −2.241   1.865   1.00   26.02   6       ATOM   2934   CD1   ILE B   98   59.551   −5.137   2.182   1.00   30.67   6       ATOM   2935   N   TYR B   99   61.889   −2.036   −1.638   1.00   31.00   7       ATOM   2936   CA   TYR B   99   62.170   −0.808   −2.356   1.00   32.52   6       ATOM   2937   C   TYR B   99   62.505   −1.034   −3.812   1.00   34.54   6       ATOM   2938   O   TYR B   99   63.655   −0.817   −4.255   1.00   35.45   8       ATOM   2939   CB   TYR B   99   63.366   −0.108   −1.661   1.00   31.16   6       ATOM   2940   CG   TYR B   99   63.179   0.250   −0.213   1.00   28.25   6       ATOM   2941   CD1   TYR B   99   63.952   −0.243   0.825   1.00   28.01   6       ATOM   2942   CD2   TYR B   99   62.202   1.193   0.117   1.00   28.98   6       ATOM   2943   CE1   TYR B   99   63.754   0.159   2.135   1.00   27.92   6       ATOM   2944   CE2   TYR B   99   62.006   1.609   1.427   1.00   28.86   6       ATOM   2945   CZ   TYR B   99   62.774   1.073   2.446   1.00   27.90   6       ATOM   2946   OH   TYR B   99   62.576   1.499   3.756   1.00   27.84   8       ATOM   2947   N   PRO B   100   61.555   −1.416   −4.630   1.00   35.55   7       ATOM   2948   CA   PRO B   100   61.774   −1.742   −6.033   1.00   37.21   6       ATOM   2949   C   PRO B   100   62.327   −0.596   −6.843   1.00   38.72   6       ATOM   2950   O   PRO B   100   63.107   −0.784   −7.787   1.00   39.39   8       ATOM   2951   CB   PRO B   100   60.417   −2.189   −6.566   1.00   37.99   6       ATOM   2952   CG   PRO B   100   59.412   −1.826   −5.543   1.00   35.50   6       ATOM   2953   CD   PRO B   100   60.151   −1.710   −4.256   1.00   35.06   6       ATOM   2954   N   ASN B   101   61.921   0.620   −6.487   1.00   38.14   7       ATOM   2955   CA   ASN B   101   62.391   1.803   −7.192   1.00   38.05   6       ATOM   2956   C   ASN B   101   63.459   2.537   −6.385   1.00   36.99   6       ATOM   2957   O   ASN B   101   63.676   3.726   −6.553   1.00   39.29   8       ATOM   2958   CB   ASN B   101   61.202   2.723   −7.451   1.00   39.89   6       ATOM   2959   CG   ASN B   101   60.007   1.987   −8.013   1.00   41.77   6       ATOM   2960   OD1   ASN B   101   58.930   1.884   −7.425   1.00   42.16   8       ATOM   2961   ND2   ASN B   101   60.229   1.436   −9.197   1.00   42.54   7       ATOM   2962   N   GLY B   102   64.028   1.920   −5.376   1.00   34.24   7       ATOM   2963   CA   GLY B   102   64.956   2.603   −4.480   1.00   33.96   6       ATOM   2964   C   GLY B   102   64.329   3.353   −3.324   1.00   34.73   6       ATOM   2965   O   GLY B   102   63.091   3.507   −3.190   1.00   33.28   8       ATOM   2966   N   THR B   103   65.153   3.914   −2.430   1.00   32.52   7       ATOM   2967   CA   THR B   103   64.591   4.613   −1.279   1.00   32.04   6       ATOM   2968   C   THR B   103   64.351   6.098   −1.472   1.00   33.64   6       ATOM   2969   O   THR B   103   63.426   6.615   −0.800   1.00   32.63   8       ATOM   2970   CB   THR B   103   65.544   4.405   −0.100   1.00   34.27   6       ATOM   2971   OG1   THR B   103   66.808   4.981   −0.489   1.00   34.81   8       ATOM   2972   CG2   THR B   103   65.762   2.948   0.225   1.00   34.11   6       ATOM   2973   N   GLU B   104   65.063   6.775   −2.375   1.00   31.00   7       ATOM   2974   CA   GLU B   104   64.919   8.220   −2.452   1.00   34.38   6       ATOM   2975   C   GLU B   104   63.553   8.693   −2.915   1.00   35.05   6       ATOM   2976   O   GLU B   104   63.205   9.837   −2.567   1.00   36.53   8       ATOM   2977   CB   GLU B   104   66.012   8.810   −3.394   1.00   37.66   6       ATOM   2978   N   THR B   105   62.883   7.955   −3.798   1.00   32.50   7       ATOM   2979   CA   THR B   105   61.572   8.395   −4.264   1.00   33.06   6       ATOM   2980   C   THR B   105   60.409   7.607   −3.633   1.00   30.67   6       ATOM   2981   O   THR B   105   59.255   7.825   −4.025   1.00   30.32   8       ATOM   2982   CB   THR B   105   61.469   8.256   −5.780   1.00   34.96   6       ATOM   2983   OG1   THR B   105   61.702   6.883   −6.107   1.00   35.88   8       ATOM   2984   CG2   THR B   105   62.498   9.147   −6.493   1.00   37.41   6       ATOM   2985   N   HIS B   106   60.705   6.829   −2.610   1.00   28.38   7       ATOM   2986   CA   HIS B   106   59.686   6.055   −1.897   1.00   26.95   6       ATOM   2987   C   HIS B   106   58.943   6.945   −0.916   1.00   27.21   6       ATOM   2988   O   HIS B   106   59.558   7.820   −0.286   1.00   25.40   8       ATOM   2989   CB   HIS B   106   60.299   4.906   −1.129   1.00   26.76   6       ATOM   2990   CG   HIS B   106   59.397   3.804   −0.619   1.00   26.50   6       ATOM   2991   ND1   HIS B   106   58.822   3.908   0.632   1.00   26.30   7       ATOM   2992   CD2   HIS B   106   59.017   2.642   −1.214   1.00   26.99   6       ATOM   2993   CE1   HIS B   106   58.139   2.730   0.807   1.00   26.31   6       ATOM   2994   NE2   HIS B   106   58.209   1.992   −0.276   1.00   27.12   7       ATOM   2995   N   THR B   107   57.621   6.749   −0.815   1.00   24.60   7       ATOM   2996   CA   THR B   107   56.852   7.517   0.177   1.00   22.48   6       ATOM   2997   C   THR B   107   57.510   7.428   1.528   1.00   23.26   6       ATOM   2998   O   THR B   107   58.100   6.378   1.812   1.00   24.71   8       ATOM   2999   CB   THR B   107   55.425   6.933   0.229   1.00   22.11   6       ATOM   3000   OG1   THR B   107   54.846   7.149   −1.052   1.00   21.94   8       ATOM   3001   CG2   THR B   107   54.603   7.713   1.242   1.00   24.08   6       ATOM   3002   N   TYR B   108   57.441   8.470   2.356   1.00   21.20   7       ATOM   3003   CA   TYR B   108   58.037   8.298   3.677   1.00   22.80   6       ATOM   3004   C   TYR B   108   57.170   8.870   4.799   1.00   23.19   6       ATOM   3005   O   TYR B   108   56.257   9.711   4.564   1.00   20.67   8       ATOM   3006   CB   TYR B   108   59.500   8.861   3.752   1.00   26.29   6       ATOM   3007   CG   TYR B   108   59.581   10.367   3.586   1.00   27.43   6       ATOM   3008   CD1   TYR B   108   59.350   11.243   4.641   1.00   30.64   6       ATOM   3009   CD2   TYR B   108   59.795   10.914   2.331   1.00   31.95   6       ATOM   3010   CE1   TYR B   108   59.352   12.617   4.478   1.00   31.91   6       ATOM   3011   CE2   TYR B   108   59.821   12.272   2.159   1.00   34.14   6       ATOM   3012   CZ   TYR B   108   59.609   13.130   3.235   1.00   34.42   6       ATOM   3013   OH   TYR B   108   59.634   14.497   3.014   1.00   36.77   8       ATOM   3014   N   VAL B   109   57.454   8.419   6.031   1.00   21.49   7       ATOM   3015   CA   VAL B   109   56.734   8.809   7.224   1.00   21.55   6       ATOM   3016   C   VAL B   109   57.707   9.552   8.149   1.00   23.45   6       ATOM   3017   O   VAL B   109   58.712   8.918   8.447   1.00   22.21   8       ATOM   3018   CB   VAL B   109   56.125   7.624   8.009   1.00   20.74   6       ATOM   3019   CG1   VAL B   109   55.351   8.074   9.216   1.00   22.40   6       ATOM   3020   CG2   VAL B   109   55.248   6.829   7.006   1.00   21.59   6       ATOM   3021   N   ASP B   110   57.376   10.750   8.596   1.00   22.01   7       ATOM   3022   CA   ASP B   110   58.343   11.465   9.478   1.00   24.43   6       ATOM   3023   C   ASP B   110   57.632   11.952   10.711   1.00   23.59   6       ATOM   3024   O   ASP B   110   56.504   12.458   10.672   1.00   21.44   8       ATOM   3025   CB   ASP B   110   58.991   12.648   8.759   1.00   27.76   6       ATOM   3026   CG   ASP B   110   60.461   12.751   9.239   1.00   36.19   6       ATOM   3027   OD1   ASP B   110   61.056   12.013   10.077   1.00   37.59   8       ATOM   3028   OD2   ASP B   110   61.173   13.585   8.645   1.00   39.38   8       ATOM   3029   N   VAL B   111   58.257   11.795   11.392   1.00   23.56   7       ATOM   3030   CA   VAL B   111   57.669   12.175   13.148   1.00   22.23   6       ATOM   3031   C   VAL B   111   58.397   13.444   13.636   1.00   26.13   6       ATOM   3032   O   VAL B   111   59.555   13.322   13.987   1.00   27.27   8       ATOM   3033   CB   VAL B   111   57.822   11.100   14.216   1.00   23.73   6       ATOM   3034   CG1   VAL B   111   57.213   11.440   15.574   1.00   23.64   6       ATOM   3035   CG2   VAL B   111   57.143   9.759   13.858   1.00   24.27   6       ATOM   3036   N   PRO B   112   57.801   14.619   13.564   1.00   24.70   7       ATOM   3037   CA   PRO B   112   58.542   15.820   13.939   1.00   24.12   6       ATOM   3038   C   PRO B   112   59.048   15.823   15.355   1.00   25.44   6       ATOM   3039   O   PRO B   112   58.457   15.302   16.281   1.00   25.94   8       ATOM   3040   CB   PRO B   112   57.517   16.950   13.719   1.00   26.49   6       ATOM   3041   CG   PRO B   112   56.471   16.411   12.776   1.00   25.85   6       ATOM   3042   CD   PRO B   112   56.449   14.912   13.005   1.00   25.31   6       ATOM   3043   N   GLY B   113   60.180   16.517   15.580   1.00   27.49   7       ATOM   3044   CA   GLY B   113   60.648   16.709   16.978   1.00   27.16   6       ATOM   3045   C   GLY B   113   61.466   15.490   17.404   1.00   29.14   6       ATOM   3046   O   GLY B   113   62.690   15.588   17.383   1.00   29.51   8       ATOM   3047   N   LEU B   114   60.785   14.355   17.638   1.00   27.78   7       ATOM   3048   CA   LEU B   114   61.512   13.141   18.019   1.00   28.34   6       ATOM   3049   C   LEU B   114   62.545   12.685   17.019   1.00   29.38   6       ATOM   3050   O   LEU B   114   63.611   12.122   17.362   1.00   28.08   8       ATOM   3051   CB   LEU B   114   60.493   12.006   18.279   1.00   26.74   6       ATOM   3052   CG   LEU B   114   59.539   12.250   19.424   1.00   28.28   6       ATOM   3053   CD1   LEU B   114   58.565   11.088   19.594   1.00   26.02   6       ATOM   3054   CD2   LEU B   114   60.295   12.476   20.742   1.00   28.90   6       ATOM   3055   N   SER B   115   62.355   12.921   15.738   1.00   28.55   7       ATOM   3056   CA   SER B   115   63.262   12.446   14.710   1.00   28.22   6       ATOM   3057   C   SER B   115   64.540   13.284   14.611   1.00   30.73   6       ATOM   3058   O   SER B   115   65.515   12.778   14.048   1.00   29.82   8       ATOM   3059   CB   SER B   115   62.556   12.433   13.359   1.00   28.87   6       ATOM   3060   OG   SER B   115   62.188   13.728   12.878   1.00   31.15   8       ATOM   3061   N   THR B   116   64.480   14.501   15.168   1.00   30.45   7       ATOM   3062   CA   THR B   116   65.625   15.383   14.934   1.00   32.38   6       ATOM   3063   C   THR B   116   66.349   15.755   16.226   1.00   34.29   6       ATOM   3064   O   THR B   116   67.346   16.447   16.085   1.00   38.91   8       ATOM   3065   CB   THR B   116   65.213   16.700   14.232   1.00   32.70   6       ATOM   3066   OG1   THR B   116   64.062   17.200   14.921   1.00   32.18   8       ATOM   3067   CG2   THR B   116   64.868   16.509   12.776   1.00   33.85   6       ATOM   3068   N   MET B   117   65.882   15.315   17.364   1.00   34.18   7       ATOM   3069   CA   MET B   117   66.556   15.577   18.625   1.00   35.31   6       ATOM   3070   C   MET B   117   67.520   14.454   18.990   1.00   37.27   6       ATOM   3071   O   MET B   117   67.419   13.329   18.506   1.00   35.45   8       ATOM   3072   CB   MET B   117   65.555   15.716   19.758   1.00   36.44   6       ATOM   3073   CG   MET B   117   64.825   14.432   20.149   1.00   34.64   6       ATOM   3074   SD   MET B   117   63.385   14.720   21.138   1.00   35.68   16       ATOM   3075   CE   MET B   117   64.113   15.441   22.628   1.00   35.24   6       ATOM   3076   N   LEU B   118   68.432   14.767   19.943   1.00   36.08   7       ATOM   3077   CA   LEU B   118   69.384   13.776   20.444   1.00   35.32   6       ATOM   3078   C   LEU B   118   70.141   13.060   19.370   1.00   36.49   6       ATOM   3079   O   LEU B   118   70.769   13.672   18.490   1.00   38.03   8       ATOM   3080   CB   LEU B   118   68.602   12.780   21.326   1.00   34.52   6       ATOM   3081   CG   LEU B   118   67.955   13.401   22.550   1.00   34.53   6       ATOM   3082   CD1   LEU B   118   67.125   12.422   23.336   1.00   33.90   6       ATOM   3083   CD2   LEU B   118   69.054   13.987   23.492   1.00   36.09   6       ATOM   3084   N   GLU B   119   70.061   11.719   19.302   1.00   39.19   7       ATOM   3085   CA   GLU B   119   70.748   10.969   18.252   1.00   39.90   6       ATOM   3086   C   GLU B   119   70.345   11.391   16.861   1.00   39.96   6       ATOM   3087   O   GLU B   119   71.144   11.319   15.931   1.00   39.74   8       ATOM   3088   CB   GLU B   119   70.439   9.477   18.447   1.00   42.37   6       ATOM   3089   CC   GLU B   119   71.094   8.560   17.433   1.00   46.28   6       ATOM   3090   CD   GLU B   119   70.981   7.080   17.777   1.00   47.62   6       ATOM   3091   OE1   GLU B   119   70.337   6.733   18.805   1.00   48.65   8       ATOM   3092   OE2   GLU B   119   71.561   6.302   16.970   1.00   49.17   8       ATOM   3093   N   GLY B   120   69.102   11.892   16.668   1.00   38.75   7       ATOM   3094   CA   GLY B   120   68.668   12.258   15.318   1.00   39.65   6       ATOM   3095   C   GLY B   120   69.318   13.524   14.807   1.00   41.25   6       ATOM   3096   O   GLY B   120   69.425   13.755   13.602   1.00   39.83   8       ATOM   3097   N   ALA B   121   69.785   14.354   15.771   1.00   42.58   7       ATOM   3098   CA   ALA B   121   70.410   15.623   15.404   1.00   44.15   6       ATOM   3099   C   ALA B   121   71.647   15.421   14.552   1.00   44.51   6       ATOM   3100   O   ALA B   121   71.836   16.162   13.587   1.00   46.30   8       ATOM   3101   CB   ALA B   121   70.755   16.396   16.671   1.00   44.12   6       ATOM   3102   N   SER B   122   72.464   14.428   14.839   1.00   46.51   7       ATOM   3103   CA   SER B   122   73.663   14.179   14.040   1.00   48.95   6       ATOM   3104   C   SER B   122   73.442   13.166   12.932   1.00   49.98   6       ATOM   3105   O   SER B   122   74.351   12.912   12.125   1.00   49.74   8       ATOM   3106   CB   SER B   122   74.790   13.675   14.943   1.00   49.52   6       ATOM   3107   OG   SER B   122   74.248   12.758   15.879   1.00   51.88   8       ATOM   3108   N   ARG B   123   72.222   12.591   12.854   1.00   48.32   7       ATOM   3109   CA   ARG B   123   71.947   11.586   11.826   1.00   46.67   6       ATOM   3110   C   ARG B   123   70.694   11.919   11.018   1.00   46.85   6       ATOM   3111   O   ARG B   123   69.644   11.274   11.155   1.00   45.46   8       ATOM   3112   CB   ARG B   123   71.789   10.202   12.467   1.00   46.37   6       ATOM   3113   CG   ARG B   123   72.838   9.776   13.470   1.00   46.42   6       ATOM   3114   CD   ARG B   123   72.773   8.316   13.871   1.00   46.50   6       ATOM   3115   NE   ARG B   123   72.926   7.465   12.686   1.00   47.12   7       ATOM   3116   CZ   ARG B   123   72.709   6.151   12.722   1.00   48.23   6       ATOM   3117   NH1   ARG B   123   72.343   5.594   13.870   1.00   48.08   7       ATOM   3118   NH2   ARG B   123   72.847   5.460   11.600   1.00   48.83   7       ATOM   3119   N   PRO B   124   70.814   12.888   10.125   1.00   46.75   7       ATOM   3120   CA   PRO B   124   69.724   13.307   9.272   1.00   45.09   6       ATOM   3121   C   PRO B   124   69.159   12.130   8.501   1.00   43.72   6       ATOM   3122   O   PRO B   124   69.907   11.332   7.919   1.00   42.42   8       ATOM   3123   CB   PRO B   124   70.287   14.368   8.344   1.00   46.93   6       ATOM   3124   CG   PRO B   124   71.771   14.278   8.490   1.00   47.37   6       ATOM   3125   CD   PRO B   124   72.023   13.715   9.861   1.00   46.92   6       ATOM   3126   N   GLY B   125   67.828   12.007   8.537   1.00   41.20   7       ATOM   3127   CA   GLY B   125   67.230   10.900   7.774   1.00   39.29   6       ATOM   3128   C   GLY B   125   67.135   9.577   8.510   1.00   37.20   6       ATOM   3129   O   GLY B   125   66.420   8.699   7.989   1.00   36.11   8       ATOM   3130   N   HIS B   126   67.837   9.368   9.601   1.00   34.73   7       ATOM   3131   CA   HIS B   126   67.849   8.102   10.308   1.00   33.50   6       ATOM   3132   C   HIS B   126   66.493   7.708   10.877   1.00   32.20   6       ATOM   3133   O   HIS B   126   65.982   6.611   10.531   1.00   31.89   8       ATOM   3134   CB   HIS B   126   68.894   8.136   11.442   1.00   32.39   6       ATOM   3135   CG   HIS B   126   68.767   6.907   12.285   1.00   30.02   6       ATOM   3136   ND1   HIS B   126   69.142   5.669   11.764   1.00   32.16   7       ATOM   3137   CD2   HIS B   126   68.315   6.679   13.524   1.00   28.99   6       ATOM   3138   CE1   HIS B   126   68.928   4.739   12.670   1.00   30.29   6       ATOM   3139   NE2   HIS B   126   68.411   5.323   13.726   1.00   31.28   7       ATOM   3140   N   PHE B   127   65.874   8.567   11.680   1.00   28.23   7       ATOM   3141   CA   PHE B   127   64.599   8.199   12.287   1.00   27.72   6       ATOM   3142   C   PHE B   127   63.495   8.234   11.213   1.00   26.35   6       ATOM   3143   O   PHE B   127   62.599   7.393   11.386   1.00   26.75   8       ATOM   3144   CB   PHE B   127   64.268   9.034   13.528   1.00   27.25   6       ATOM   3145   CG   PHE B   127   65.109   8.550   14.698   1.00   28.04   6       ATOM   3146   CD1   PHE B   127   66.034   9.472   15.239   1.00   27.72   6       ATOM   3147   CD2   PHE B   127   65.127   7.278   15.203   1.00   26.78   6       ATOM   3148   CE1   PHE B   127   66.838   9.035   16.291   1.00   26.75   6       ATOM   3149   CE2   PHE B   127   65.919   6.858   16.231   1.00   29.31   6       ATOM   3150   CZ   PHE B   127   66.844   7.755   16.771   1.00   26.94   6       ATOM   3151   N   ARG B   128   63.652   9.015   10.140   1.00   26.25   7       ATOM   3152   CA   ARG B   128   62.665   8.940   9.054   1.00   26.31   6       ATOM   3153   C   ARG B   128   62.641   7.529   8.474   1.00   27.01   6       ATOM   3154   O   ARG B   128   61.607   6.896   8.176   1.00   27.70   8       ATOM   3155   CB   ARG B   128   62.995   9.950   7.986   1.00   29.81   6       ATOM   3156   CG   ARG B   128   62.174   9.865   6.694   1.00   28.97   6       ATOM   3157   CD   ARG B   128   62.614   10.959   5.713   1.00   31.50   6       ATOM   3158   NE   ARG B   128   62.199   12.249   6.307   1.00   36.12   7       ATOM   3159   CZ   ARG B   128   62.359   13.422   5.685   1.00   36.94   6       ATOM   3160   NH1   ARG B   128   62.917   13.437   4.474   1.00   36.92   7       ATOM   3161   NH2   ARG B   128   61.956   14.553   6.237   1.00   36.80   7       ATOM   3162   N   GLY B   129   63.823   6.942   8.316   1.00   25.53   7       ATOM   3163   CA   GLY B   129   63.959   5.579   7.803   1.00   25.39   6       ATOM   3164   C   GLY B   129   63.296   4.587   8.744   1.00   24.86   6       ATOM   3165   O   GLY B   129   62.618   3.654   8.238   1.00   24.05   8       ATOM   3166   N   VAL B   130   63.374   4.723   10.054   1.00   23.36   7       ATOM   3167   CA   VAL B   130   62.752   3.848   11.024   1.00   22.23   6       ATOM   3168   C   VAL B   130   61.208   3.977   10.944   1.00   23.73   6       ATOM   3169   O   VAL B   130   60.528   2.931   10.910   1.00   21.98   8       ATOM   3170   CB   VAL B   130   63.156   4.153   12.443   1.00   24.21   6       ATOM   3171   CG1   VAL B   130   62.503   3.325   13.534   1.00   24.51   6       ATOM   3172   CG2   VAL B   130   64.713   3.953   12.537   1.00   24.12   6       ATOM   3173   N   SER B   131   60.667   5.199   11.057   1.00   21.64   7       ATOM   3174   CA   SER B   131   59.218   5.336   11.014   1.00   21.18   6       ATOM   3175   C   SER B   131   58.706   4.864   9.647   1.00   21.42   6       ATOM   3176   O   SER B   131   57.608   4.304   9.684   1.00   22.71   8       ATOM   3177   CB   SER B   131   58.790   6.781   11.406   1.00   20.10   6       ATOM   3178   OG   SER B   131   59.534   7.744   10.678   1.00   22.33   8       ATOM   3179   N   THR B   132   59.376   5.073   8.538   1.00   21.18   7       ATOM   3180   CA   THR B   132   58.883   4.600   7.250   1.00   22.97   6       ATOM   3181   C   THR B   132   58.795   3.079   7.224   1.00   25.11   6       ATOM   3182   O   THR B   132   57.728   2.514   6.885   1.00   19.95   8       ATOM   3183   CB   THR B   132   59.742   5.139   6.108   1.00   23.70   6       ATOM   3184   OG1   THR B   132   59.721   6.590   6.182   1.00   21.14   8       ATOM   3185   CG2   THR B   132   59.214   4.625   4.749   1.00   21.10   6       ATOM   3186   N   ILE B   133   59.876   2.374   7.590   1.00   23.47   7       ATOM   3187   CA   ILE B   133   59.792   0.897   7.444   1.00   22.30   6       ATOM   3188   C   ILE B   133   58.868   0.339   8.499   1.00   20.08   6       ATOM   3189   O   ILE B   133   58.186   −0.702   8.247   1.00   20.82   8       ATOM   3190   CB   ILE B   133   61.163   0.202   7.503   1.00   22.40   6       ATOM   3191   CG1   ILE B   133   61.076   −1.270   7.056   1.00   22.66   6       ATOM   3192   CG2   ILE B   133   61.699   0.252   8.924   1.00   22.72   6       ATOM   3193   CD1   ILE B   133   60.726   −1.465   5.594   1.00   24.76   6       ATOM   3194   N   VAL B   134   58.775   0.387   9.716   1.00   19.44   7       ATOM   3195   CA   VAL B   134   57.874   0.272   10.678   1.00   19.92   6       ATOM   3196   C   VAL B   134   56.425   0.507   10.228   1.00   19.95   6       ATOM   3197   O   VAL B   134   55.596   −0.408   10.340   1.00   18.76   8       ATOM   3198   CB   VAL B   134   58.087   0.785   12.093   1.00   20.66   6       ATOM   3199   CG1   VAL B   134   57.101   0.289   13.127   1.00   21.02   6       ATOM   3200   CG2   VAL B   134   59.472   0.315   12.628   1.00   23.22   6       ATOM   3201   N   SER B   135   56.098   1.693   9.701   1.00   21.84   7       ATOM   3202   CA   SER B   135   54.738   1.892   9.197   1.00   21.43   6       ATOM   3203   C   SER B   135   54.448   0.852   8.088   1.00   20.41   6       ATOM   3204   O   SER B   135   53.335   0.320   8.054   1.00   19.83   8       ATOM   3205   CB   SER B   135   54.490   3.262   8.563   1.00   25.05   6       ATOM   3206   OG   SER B   135   54.496   4.192   9.637   1.00   30.48   8       ATOM   3207   N   LYS B   136   55.430   0.706   7.189   1.00   18.76   7       ATOM   3208   CA   LYS B   136   55.189   −0.267   6.067   1.00   20.34   6       ATOM   3209   C   LYS B   136   54.944   −1.659   6.626   1.00   19.06   6       ATOM   3210   O   LYS B   136   54.010   −2.371   6.185   1.00   18.19   8       ATOM   3211   CB   LYS B   136   56.351   −0.243   5.052   1.00   20.12   6       ATOM   3212   CG   LYS B   136   56.143   −1.143   3.805   1.00   20.78   6       ATOM   3213   CD   LYS B   136   57.014   −0.638   2.664   1.00   22.99   6       ATOM   3214   CE   LYS B   136   56.995   −1.594   1.478   1.00   25.34   6       ATOM   3215   NZ   LYS B   136   57.435   −0.897   0.229   1.00   25.62   7       ATOM   3216   N   LEU B   137   55.713   −2.120   7.604   1.00   17.80   7       ATOM   3217   CA   LEU B   137   55.582   −3.427   8.237   1.00   19.98   6       ATOM   3218   C   LEU B   137   54.275   −3.552   8.976   1.00   19.20   6       ATOM   3219   O   LEU B   137   53.616   −4.573   8.857   1.00   18.56   8       ATOM   3220   CB   LEU B   137   56.745   −3.696   9.220   1.00   19.53   6       ATOM   3221   CG   LEU B   137   58.074   −4.009   8.556   1.00   22.60   6       ATOM   3222   CD1   LEU B   137   59.179   −3.990   9.627   1.00   18.94   6       ATOM   3223   CD2   LEU B   137   58.043   −5.360   7.886   1.00   20.42   6       ATOM   3224   N   PHE B   138   53.777   −2.469   9.583   1.00   16.81   7       ATOM   3225   CA   PHE B   138   52.487   −2.532   10.200   1.00   17.03   6       ATOM   3226   C   PHE B   138   51.342   −2.677   9.163   1.00   15.57   6       ATOM   3227   O   PHE B   138   50.365   −3.369   9.434   1.00   17.73   8       ATOM   3228   CB   PHE B   138   52.183   −1.237   10.974   1.00   17.43   6       ATOM   3229   CG   PHE B   138   52.989   −1.110   12.277   1.00   18.89   6       ATOM   3230   CD1   PHE B   138   52.929   0.069   12.997   1.00   18.99   6       ATOM   3231   CD2   PHE B   138   53.729   −2.164   12.784   1.00   19.88   6       ATOM   3232   CE1   PHE B   138   53.604   0.229   14.200   1.00   18.80   6       ATOM   3233   CE2   PHE B   138   54.411   −2.031   14.006   1.00   21.38   6       ATOM   3234   CZ   PHE B   138   54.324   −0.829   14.750   1.00   19.09   6       ATOM   3235   N   ASN B   139   51.457   −2.015   8.033   1.00   18.34   7       ATOM   3236   CA   ASN B   139   50.419   −2.157   7.032   1.00   17.77   6       ATOM   3237   C   ASN B   139   50.464   −3.511   6.357   1.00   18.27   6       ATOM   3238   O   ASN B   139   49.403   −4.059   5.975   1.00   20.66   8       ATOM   3239   CB   ASN B   139   50.565   −1.044   5.974   1.00   19.21   6       ATOM   3240   CG   ASN B   139   50.220   0.335   6.571   1.00   23.72   6       ATOM   3241   OD1   ASN B   139   49.304   0.418   7.359   1.00   24.33   8       ATOM   3242   ND2   ASN B   139   50.901   1.344   6.090   1.00   25.57   7       ATOM   3243   N   LEU B   140   51.670   −4.126   6.251   1.00   17.43   7       ATOM   3244   CA   LEU B   140   51.816   −5.435   5.643   1.00   19.77   6       ATOM   3245   C   LEU B   140   51.392   −6.531   6.585   1.00   21.88   6       ATOM   3246   O   LEU B   140   50.667   −7.465   6.154   1.00   22.03   8       ATOM   3247   CB   LEU B   140   53.291   −5.684   5.198   1.00   18.61   6       ATOM   3248   CG   LEU B   140   53.850   −4.849   4.059   1.00   20.20   6       ATOM   3249   CD1   LEU B   140   55.377   −5.000   3.978   1.00   21.39   6       ATOM   3250   CD2   LEU B   140   53.219   −5.272   2.744   1.00   21.81   6       ATOM   3251   N   VAL B   141   51.714   −6.509   7.876   1.00   19.81   7       ATOM   3252   CA   VAL B   141   51.423   −7.589   8.813   1.00   19.15   6       ATOM   3253   C   VAL B   141   50.129   −7.384   9.575   1.00   18.23   6       ATOM   3254   O   VAL B   141   49.508   −8.383   9.942   1.00   20.17   8       ATOM   3255   CB   VAL B   141   52.613   −7.729   9.811   1.00   18.50   6       ATOM   3256   CG1   VAL B   141   52.402   −8.790   10.886   1.00   19.99   6       ATOM   3257   CG2   VAL B   141   53.895   −8.020   9.003   1.00   21.20   6       ATOM   3258   N   GLN B   142   49.697   −6.125   9.766   1.00   19.03   7       ATOM   3259   CA   GLN B   142   48.456   −5.803   10.496   1.00   18.67   6       ATOM   3260   C   GLN B   142   48.367   −6.472   11.813   1.00   18.44   6       ATOM   3261   O   GLN B   142   47.434   −7.193   12.153   1.00   18.66   8       ATOM   3262   CB   GLN B   142   47.254   −6.242   9.585   1.00   23.65   6       ATOM   3263   CG   GLN B   142   47.341   −5.370   8.311   1.00   27.77   6       ATOM   3264   CD   GLN B   142   46.179   −5.714   7.395   1.00   31.08   6       ATOM   3265   OE1   GLN B   142   45.039   −5.391   7.745   1.00   34.74   8       ATOM   3266   NE2   GLN B   142   46.447   −6.335   6.281   1.00   33.99   7       ATOM   3267   N   PRO B   143   49.444   −6.363   12.645   1.00   19.66   7       ATOM   3268   CA   PRO B   143   49.526   −7.003   13.913   1.00   21.32   6       ATOM   3269   C   PRO B   143   48.579   −6.373   14.939   1.00   20.88   6       ATOM   3270   O   PRO B   143   48.162   −5.222   14.777   1.00   23.53   8       ATOM   3271   CB   PRO B   143   50.974   −6.829   14.398   1.00   19.63   6       ATOM   3272   CG   PRO B   143   51.245   −5.445   13.833   1.00   20.10   6       ATOM   3273   CD   PRO B   143   50.576   −5.419   12.433   1.00   20.21   6       ATOM   3274   N   ASP B   144   48.242   −7.127   15.964   1.00   19.65   7       ATOM   3275   CA   ASP B   144   47.481   −6.572   17.069   1.00   19.58   6       ATOM   3276   C   ASP B   144   48.443   −5.798   17.998   1.00   20.96   6       ATOM   3277   O   ASP B   144   48.078   −4.862   18.701   1.00   21.10   8       ATOM   3278   CB   ASP B   144   46.769   −7.645   17.857   1.00   21.71   6       ATOM   3279   CG   ASP B   144   45.715   −8.336   16.977   1.00   29.09   6       ATOM   3280   OD1   ASP B   144   46.026   −9.413   16.419   1.00   28.54   8       ATOM   3281   OD2   ASP B   144   44.670   −7.652   16.763   1.00   29.74   8       ATOM   3282   N   ILE B   145   49.639   −6.395   18.133   1.00   19.56   7       ATOM   3283   CA   ILE B   145   50.662   −5.948   19.117   1.00   20.94   6       ATOM   3284   C   ILE B   145   52.010   −5.887   18.446   1.00   19.85   6       ATOM   3285   O   ILE B   145   52.279   −6.676   17.481   1.00   19.52   8       ATOM   3286   CB   ILE B   145   50.680   −6.958   20.269   1.00   21.71   6       ATOM   3287   CG1   ILE B   145   49.386   −6.954   21.122   1.00   24.70   6       ATOM   3288   CG2   ILE B   145   51.900   −6.729   21.173   1.00   26.93   6       ATOM   3289   CD1   ILE B   145   49.072   −8.328   21.695   1.00   28.80   6       ATOM   3290   N   ALA B   146   52.910   −4.978   18.807   1.00   20.13   7       ATOM   3291   CA   ALA B   146   54.247   −4.939   18.221   1.00   20.86   6       ATOM   3292   C   ALA B   146   55.243   −4.703   19.396   1.00   23.49   6       ATOM   3293   O   ALA B   146   54.897   −3.879   20.234   1.00   21.46   8       ATOM   3294   CB   ALA B   146   54.442   −3.869   17.206   1.00   21.57   6       ATOM   3295   N   CYS B   147   56.282   −5.520   19.470   1.00   21.24   7       ATOM   3296   CA   CYS B   147   57.227   −5.418   20.634   1.00   21.57   6       ATOM   3297   C   CYS B   147   58.514   −4.835   20.232   1.00   19.68   6       ATOM   3298   O   CYS B   147   59.148   −5.086   19.189   1.00   23.55   8       ATOM   3299   CB   CYS B   147   57.487   −6.803   21.192   1.00   25.97   6       ATOM   3300   SG   CYS B   147   56.049   −7.649   21.811   1.00   30.41   16       ATOM   3301   N   PHE B   148   59.070   −3.904   21.116   1.00   21.36   7       ATOM   3302   CA   PHE B   148   60.268   −3.195   20.823   1.00   19.98   6       ATOM   3303   C   PHE B   148   61.134   −3.123   22.146   1.00   19.23   6       ATOM   3304   O   PHE B   148   60.479   −3.140   23.148   1.00   23.93   8       ATOM   3305   CB   PHE B   148   60.072   −1.760   20.374   1.00   22.31   6       ATOM   3306   CG   PHE B   148   59.349   −1.636   19.056   1.00   21.62   6       ATOM   3307   CD1   PHE B   148   57.968   −1.677   19.110   1.00   22.35   6       ATOM   3308   CD2   PHE B   148   60.045   −1.548   17.891   1.00   24.41   6       ATOM   3309   CE1   PHE B   148   57.226   −1.664   17.918   1.00   21.17   6       ATOM   3310   CE2   PHE B   148   59.307   −1.425   16.674   1.00   23.20   6       ATOM   3311   CZ   PHE B   148   57.930   −1.509   16.754   1.00   19.10   6       ATOM   3312   N   GLY B   149   62.415   −3.168   22.002   1.00   22.90   7       ATOM   3313   CA   GLY B   149   63.243   −3.177   23.235   1.00   24.26   6       ATOM   3314   C   GLY B   149   63.315   −1.783   23.884   1.00   26.58   6       ATOM   3315   O   GLY B   149   63.397   −0.779   23.199   1.00   27.16   8       ATOM   3316   N   GLU B   150   63.380   −1.759   25.212   1.00   27.01   7       ATOM   3317   CA   GLU B   150   63.530   −0.425   25.870   1.00   29.68   6       ATOM   3318   C   GLU B   150   64.894   0.200   25.737   1.00   31.07   6       ATOM   3319   O   GLU B   150   65.020   1.425   25.978   1.00   30.50   8       ATOM   3320   CB   GLU B   150   63.214   −0.532   27.368   1.00   31.68   6       ATOM   3321   CG   GLU B   150   61.747   −0.632   27.660   1.00   34.09   6       ATOM   3322   CD   GLU B   150   61.359   −0.743   29.111   1.00   37.99   6       ATOM   3323   OE1   GLU B   150   62.205   −0.936   30.001   1.00   38.43   8       ATOM   3324   OE2   GLU B   150   60.143   −0.643   29.350   1.00   40.17   8       ATOM   3325   N   LYS B   151   65.951   −0.544   25.401   1.00   29.23   7       ATOM   3326   CA   LYS B   151   67.258   0.093   25.292   1.00   31.41   6       ATOM   3327   C   LYS B   151   67.273   1.220   24.300   1.00   31.27   6       ATOM   3328   O   LYS B   151   67.936   2.260   24.433   1.00   27.21   8       ATOM   3329   CB   LYS B   151   68.320   −0.926   24.878   1.00   34.10   6       ATOM   3330   CG   LYS B   151   69.755   −0.397   24.923   1.00   37.66   6       ATOM   3331   CD   LYS B   151   70.640   −1.476   24.317   1.00   41.05   6       ATOM   3332   CE   LYS B   151   72.080   −1.431   24.765   1.00   43.98   6       ATOM   3333   NZ   LYS B   151   72.893   −0.452   23.975   1.00   44.59   7       ATOM   3334   N   ASP B   152   66.506   1.027   23.164   1.00   28.39   7       ATOM   3335   CA   ASP B   152   66.518   2.032   22.110   1.00   28.38   6       ATOM   3336   C   ASP B   152   65.332   2.937   22.374   1.00   28.23   6       ATOM   3337   O   ASP B   152   64.210   2.803   21.783   1.00   26.26   8       ATOM   3338   CB   ASP B   152   66.440   1.375   20.725   1.00   28.61   6       ATOM   3339   N   PHE B   153   65.516   3.702   23.467   1.00   25.07   7       ATOM   3340   CA   PHE B   153   64.373   4.471   23.974   1.00   26.53   6       ATOM   3341   C   PHE B   153   63.892   5.520   22.974   1.00   21.61   6       ATOM   3342   O   PHE B   153   62.708   5.839   23.024   1.00   24.77   8       ATOM   3343   CB   PHE B   153   64.730   5.118   25.330   1.00   26.51   6       ATOM   3344   CG   PHE B   153   65.779   6.167   25.190   1.00   29.71   6       ATOM   3345   CD1   PHE B   153   65.443   7.493   24.943   1.00   29.96   6       ATOM   3346   CD2   PHE B   153   67.132   5.855   25.398   1.00   29.77   6       ATOM   3347   CE1   PHE B   153   66.423   8.454   24.846   1.00   31.18   6       ATOM   3348   CE2   PHE B   153   68.099   6.820   25.256   1.00   28.84   6       ATOM   3349   CZ   PHE B   153   67.763   8.135   24.997   1.00   31.32   6       ATOM   3350   N   GLN B   154   64.740   6.002   22.113   1.00   23.01   7       ATOM   3351   CA   GLN B   154   64.352   7.012   21.149   1.00   24.58   6       ATOM   3352   C   GLN B   154   63.443   6.353   20.075   1.00   24.87   6       ATOM   3353   O   GLN B   154   62.466   6.997   19.707   1.00   23.87   8       ATOM   3354   CB   GLN B   154   65.558   7.664   20.502   1.00   26.01   6       ATOM   3355   CG   GLN B   154   65.117   8.877   19.710   1.00   28.34   6       ATOM   3356   CD   GLN B   154   66.171   9.934   19.456   1.00   30.51   6       ATOM   3357   OE1   GLN B   154   67.342   9.742   19.766   1.00   32.27   8       ATOM   3358   NE2   GLN B   154   65.742   11.030   18.839   1.00   28.70   7       ATOM   3359   N   GLN B   155   63.841   5.183   19.619   1.00   24.42   7       ATOM   3360   CA   GLN B   155   62.944   4.439   18.714   1.00   24.63   6       ATOM   3361   C   GLN B   155   61.612   4.204   19.382   1.00   22.70   6       ATOM   3362   O   GLN B   155   60.577   4.285   18.652   1.00   24.30   8       ATOM   3363   CB   GLN B   155   63.549   3.094   18.268   1.00   25.06   6       ATOM   3364   CG   GLN B   155   64.450   3.209   17.029   1.00   29.61   6       ATOM   3365   CD   GLN B   155   64.506   1.856   16.285   1.00   32.67   6       ATOM   3366   OE1   GLN B   155   65.360   1.610   15.440   1.00   37.92   8       ATOM   3367   NE2   GLN B   155   63.610   0.953   16.599   1.00   28.61   7       ATOM   3368   N   LEU B   156   61.522   3.748   20.602   1.00   20.20   7       ATOM   3369   CA   LEU B   156   60.288   3.409   21.273   1.00   22.81   6       ATOM   3370   C   LEU B   156   59.381   4.671   21.280   1.00   25.01   6       ATOM   3371   O   LEU B   156   58.192   4.596   20.961   1.00   22.03   8       ATOM   3372   CB   LEU B   156   60.549   2.887   22.651   1.00   23.28   6       ATOM   3373   CG   LEU B   156   59.393   2.429   23.497   1.00   22.55   6       ATOM   3374   CD1   LEU B   156   58.484   1.403   22.784   1.00   24.60   6       ATOM   3375   CD2   LEU B   156   59.895   1.814   24.812   1.00   24.72   6       ATOM   3376   N   ALA B   157   59.971   5.799   21.745   1.00   21.98   7       ATOM   3377   CA   ALA B   157   59.149   7.006   21.699   1.00   23.16   6       ATOM   3378   C   ALA B   157   58.684   7.366   20.300   1.00   21.84   6       ATOM   3379   O   ALA B   157   57.504   7.836   20.225   1.00   22.95   8       ATOM   3380   CB   ALA B   157   59.953   8.235   22.216   1.00   21.48   6       ATOM   3381   N   LEU B   158   59.510   7.286   19.278   1.00   20.55   7       ATOM   3382   CA   LEU B   158   59.209   7.601   17.902   1.00   24.17   6       ATOM   3383   C   LEU B   158   58.018   6.737   17.408   1.00   24.35   6       ATOM   3384   O   LEU B   158   57.063   7.345   16.896   1.00   21.76   8       ATOM   3385   CB   LEU B   158   60.387   7.347   16.959   1.00   23.67   6       ATOM   3386   CG   LEU B   158   60.332   7.840   15.511   1.00   25.33   6       ATOM   3387   CD1   LEU B   158   60.910   9.254   15.385   1.00   25.04   6       ATOM   3388   CD2   LEU B   158   61.078   6.855   14.633   1.00   24.59   6       ATOM   3389   N   ILE B   159   58.085   5.451   17.683   1.00   21.94   7       ATOM   3390   CA   ILE B   159   56.938   4.578   17.235   1.00   22.18   6       ATOM   3391   C   ILE B   159   55.685   4.727   18.032   1.00   24.01   6       ATOM   3392   O   ILE B   159   54.587   4.804   17.414   1.00   21.79   8       ATOM   3393   CB   ILE B   159   57.436   3.108   17.263   1.00   21.63   6       ATOM   3394   CG1   ILE B   159   58.615   3.036   16.314   1.00   21.10   6       ATOM   3395   CG2   ILE B   159   56.305   2.118   16.906   1.00   21.29   6       ATOM   3396   CD1   ILE B   159   58.290   3.361   14.848   1.00   27.17   6       ATOM   3397   N   ARG B   160   55.764   5.016   19.357   1.00   21.20   7       ATOM   3398   CA   ARG B   160   54.563   5.304   20.113   1.00   23.22   6       ATOM   3399   C   ARG B   160   53.911   6.620   19.579   1.00   20.84   6       ATOM   3400   O   ARG B   160   52.688   6.604   19.482   1.00   22.99   8       ATOM   3401   CB   ARG B   160   54.786   5.438   21.627   1.00   22.64   6       ATOM   3402   CG   ARG B   160   54.975   4.035   22.266   1.00   25.40   6       ATOM   3403   CD   ARG B   160   55.364   4.303   23.720   0.50   28.99   6       ATOM   3404   NE   ARG B   160   55.627   3.143   24.540   0.50   32.14   7       ATOM   3405   CZ   ARG B   160   54.843   2.116   24.819   0.50   32.06   6       ATOM   3406   NH1   ARG B   160   53.609   1.993   24.361   0.50   31.32   7       ATOM   3407   NH2   ARG B   160   55.288   1.143   25.624   0.50   32.40   7       ATOM   3408   N   LYS B   161   54.699   7.617   19.257   1.00   20.06   7       ATOM   3409   CA   LYS B   161   54.121   8.866   18.707   1.00   19.89   6       ATOM   3410   C   LYS B   161   53.502   8.570   17.331   1.00   20.88   6       ATOM   3411   O   LYS B   161   52.418   9.085   17.017   1.00   20.38   8       ATOM   3412   CB   LYS B   161   55.172   9.998   18.633   1.00   21.42   6       ATOM   3413   CG   LYS B   161   54.474   11.290   18.133   1.00   23.56   6       ATOM   3414   CD   LYS B   161   55.345   12.508   18.131   1.00   27.88   6       ATOM   3415   CE   LYS B   161   54.736   13.692   17.336   1.00   31.75   6       ATOM   3416   NZ   LYS B   161   53.349   13.390   17.879   1.00   29.32   7       ATOM   3417   N   MET B   162   54.244   7.875   16.465   1.00   19.25   7       ATOM   3418   CA   MET B   162   53.744   7.586   15.106   1.00   20.25   6       ATOM   3419   C   MET B   162   52.443   6.849   15.190   1.00   20.77   6       ATOM   3420   O   MET B   162   51.432   7.100   14.451   1.00   20.50   8       ATOM   3421   CB   MET B   162   54.864   6.798   14.378   1.00   20.27   6       ATOM   3422   CG   MET B   162   54.438   6.504   12.918   1.00   20.30   6       ATOM   3423   SD   MET B   162   55.575   5.209   12.231   1.00   23.99   16       ATOM   3424   CE   MET B   162   54.976   3.754   13.066   1.00   22.75   6       ATOM   3425   N   VAL B   163   52.331   5.858   16.110   1.00   19.38   7       ATOM   3426   CA   VAL B   163   51.106   5.095   16.243   1.00   20.12   6       ATOM   3427   C   VAL B   163   49.926   5.955   16.693   1.00   22.03   6       ATOM   3428   O   VAL B   163   48.820   5.841   16.163   1.00   19.78   8       ATOM   3429   CB   VAL B   163   51.310   3.926   17.212   1.00   19.66   6       ATOM   3430   CG1   VAL B   163   50.044   3.269   17.672   1.00   20.89   6       ATOM   3431   CG2   VAL B   163   52.253   2.958   16.455   1.00   20.73   6       ATOM   3432   N   ALA B   164   50.127   6.771   17.688   1.00   20.47   7       ATOM   3433   CA   ALA B   164   49.065   7.634   18.189   1.00   21.69   6       ATOM   3434   C   ALA B   164   48.642   8.624   17.101   1.00   20.50   6       ATOM   3435   O   ALA B   164   47.419   8.750   16.892   1.00   23.25   8       ATOM   3436   CB   ALA B   164   49.604   8.359   19.418   1.00   20.80   6       ATOM   3437   N   ASP B   165   49.612   9.237   16.440   1.00   19.12   7       ATOM   3438   CA   ASP B   165   49.190   10.233   15.409   1.00   18.46   6       ATOM   3439   C   ASP B   165   48.550   9.577   14.207   1.00   22.82   6       ATOM   3440   O   ASP B   165   47.594   10.145   13.660   1.00   22.60   8       ATOM   3441   CB   ASP B   165   50.392   10.996   14.943   1.00   18.70   6       ATOM   3442   CG   ASP B   165   51.018   12.009   15.941   1.00   18.80   6       ATOM   3443   OD1   ASP B   165   50.354   12.300   16.916   1.00   21.84   8       ATOM   3444   OD2   ASP B   165   52.112   12.486   15.692   1.00   21.56   8       ATOM   3445   N   MET B   166   49.185   8.526   13.694   1.00   19.28   7       ATOM   3446   CA   MET B   166   48.660   7.953   12.411   1.00   20.68   6       ATOM   3447   C   MET B   166   47.436   7.082   12.604   1.00   21.52   6       ATOM   3448   O   MET B   166   46.935   6.605   11.577   1.00   22.25   8       ATOM   3449   CB   MET B   166   49.878   7.292   11.723   1.00   17.15   6       ATOM   3450   CG   MET B   166   50.905   8.348   11.281   1.00   21.78   6       ATOM   3451   SD   MET B   166   50.266   9.743   10.357   1.00   21.48   16       ATOM   3452   CE   MET B   166   49.315   9.048   8.969   1.00   22.58   6       ATOM   3453   N   GLY B   167   46.947   6.745   13.792   1.00   22.34   7       ATOM   3454   CA   GLY B   167   45.725   5.983   14.001   1.00   21.60   6       ATOM   3455   C   GLY B   167   45.804   4.480   13.881   1.00   21.23   6       ATOM   3456   O   GLY B   167   44.803   3.783   13.677   1.00   19.88   8       ATOM   3457   N   PHE B   168   47.043   3.939   13.961   1.00   21.11   7       ATOM   3458   CA   PHE B   168   47.170   2.494   13.958   1.00   20.42   6       ATOM   3459   C   PHE B   168   46.553   1.828   15.193   1.00   20.83   6       ATOM   3460   O   PHE B   168   46.842   2.233   16.321   1.00   22.53   8       ATOM   3461   CB   PHE B   168   48.653   2.079   13.921   1.00   21.51   6       ATOM   3462   CG   PHE B   168   49.420   2.244   12.648   1.00   21.26   6       ATOM   3463   CD1   PHE B   168   50.305   3.310   12.535   1.00   21.28   6       ATOM   3464   CD2   PHE B   168   49.352   1.351   11.604   1.00   21.16   6       ATOM   3465   CE1   PHE B   168   51.095   3.489   11.409   1.00   22.13   6       ATOM   3466   CE2   PHE B   168   50.080   1.550   10.442   1.00   24.10   6       ATOM   3467   CZ   PHE B   168   50.978   2.592   10.348   1.00   20.59   6       ATOM   3468   N   ASP B   169   45.751   0.812   14.997   1.00   22.55   7       ATOM   3469   CA   ASP B   169   45.089   0.089   16.054   1.00   23.63   6       ATOM   3470   C   ASP B   169   46.010   −1.072   16.556   1.00   23.14   6       ATOM   3471   O   ASP B   169   45.637   −2.215   16.493   1.00   23.77   8       ATOM   3472   CB   ASP B   169   43.773   −0.497   15.594   1.00   27.60   6       ATOM   3473   CG   ASP B   169   42.879   −1.031   16.711   1.00   30.74   6       ATOM   3474   OD1   ASP B   169   43.197   −0.784   17.892   1.00   34.41   8       ATOM   3475   OD2   ASP B   169   41.884   −1.685   16.342   1.00   34.81   8       ATOM   3476   N   ILE B   170   47.137   −0.643   17.058   1.00   20.48   7       ATOM   3477   CA   ILE B   170   48.196   −1.584   17.457   1.00   19.43   6       ATOM   3478   C   ILE B   170   48.725   −1.236   18.834   1.00   21.42   6       ATOM   3479   O   ILE B   170   49.048   −0.083   19.071   1.00   22.91   8       ATOM   3480   CB   ILE B   170   49.351   −1.526   16.434   1.00   19.13   6       ATOM   3481   CG1   ILE B   170   48.940   −1.849   14.994   1.00   21.06   6       ATOM   3482   CG2   ILE B   170   50.464   −2.519   16.854   1.00   20.00   6       ATOM   3483   CD1   ILE B   170   50.054   −1.568   13.974   1.00   23.10   6       ATOM   3484   N   GLU B   171   48.847   −2.233   19.720   1.00   20.51   7       ATOM   3485   CA   GLU B   171   49.415   −1.968   21.050   1.00   22.48   6       ATOM   3486   C   GLU B   171   50.925   −1.992   20.961   1.00   23.14   6       ATOM   3487   O   GLU B   171   51.470   −3.024   20.518   1.00   23.79   8       ATOM   3488   CB   GLU B   171   48.824   −2.974   22.034   1.00   24.29   6       ATOM   3489   CG   GLU B   171   49.506   −2.861   23.391   1.00   28.59   6       ATOM   3490   CD   GLU B   171   49.089   −3.843   24.453   1.00   33.66   6       ATOM   3491   OE1   GLU B   171   48.310   −4.782   24.246   1.00   34.21   8       ATOM   3492   OE2   GLU B   171   49.580   −3.608   25.609   1.00   37.13   8       ATOM   3493   N   ILE B   172   51.637   −0.956   21.410   1.00   21.22   7       ATOM   3494   CA   ILE B   172   53.093   −0.965   21.349   1.00   19.30   6       ATOM   3495   C   ILE B   172   53.656   −1.362   22.720   1.00   24.29   6       ATOM   3496   O   ILE B   172   53.145   −0.847   23.730   1.00   25.41   8       ATOM   3497   CB   ILE B   172   53.631   0.401   20.893   1.00   20.79   6       ATOM   3498   CG1   ILE B   172   53.086   0.809   19.509   1.00   22.57   6       ATOM   3499   CG2   ILE B   172   55.162   0.435   20.888   1.00   22.05   6       ATOM   3500   CD1   ILE B   172   53.459   −0.175   18.386   1.00   21.95   6       ATOM   3501   N   VAL B   173   54.392   −2.471   22.752   1.00   21.27   7       ATOM   3502   CA   VAL B   173   54.895   −3.034   24.024   1.00   25.99   6       ATOM   3503   C   VAL B   173   56.363   −2.785   24.113   1.00   25.58   6       ATOM   3504   O   VAL B   173   57.087   −3.255   23.240   1.00   22.50   8       ATOM   3505   CB   VAL B   173   54.583   −4.552   24.123   1.00   25.82   6       ATOM   3506   CG1   VAL B   173   55.242   −5.122   25.406   1.00   26.85   6       ATOM   3507   CG2   VAL B   173   53.094   −4.779   24.096   1.00   27.94   6       ATOM   3508   N   GLY B   174   56.820   −2.085   25.189   1.00   24.62   7       ATOM   3509   CA   GLY B   174   58.270   −1.862   25.313   1.00   23.53   6       ATOM   3510   C   GLY B   174   58.740   −3.002   26.282   1.00   23.91   6       ATOM   3511   O   GLY B   174   57.998   −3.288   27.218   1.00   26.78   3       ATOM   3512   N   VAL B   175   59.801   −3.641   25.849   1.00   22.58   7       ATOM   3513   CA   VAL B   175   60.234   −4.783   26.676   1.00   24.09   6       ATOM   3514   C   VAL B   175   61.523   −4.341   27.430   1.00   23.90   6       ATOM   3515   O   VAL B   175   62.502   −4.011   26.762   1.00   24.10   8       ATOM   3516   CB   VAL B   175   60.476   −6.015   25.853   1.00   24.37   6       ATOM   3517   CG1   VAL B   175   60.852   −7.180   26.767   1.00   28.33   6       ATOM   3518   CG2   VAL B   175   59.219   −6.353   24.984   1.00   24.52   6       ATOM   3519   N   PRO B   176   61.469   −4.464   28.728   1.00   28.58   7       ATOM   3520   CA   PRO B   176   62.648   −4.211   29.574   1.00   32.47   6       ATOM   3521   C   PRO B   176   63.888   −4.974   29.180   1.00   32.41   6       ATOM   3522   O   PRO B   176   63.831   −6.135   28.746   1.00   28.92   8       ATOM   3523   CB   PRO B   176   62.159   −4.588   30.980   1.00   33.03   6       ATOM   3524   CG   PRO B   176   60.685   −4.380   30.922   1.00   34.15   6       ATOM   3525   CD   PRO B   176   60.320   −4.916   29.543   1.00   28.09   6       ATOM   3526   N   ILE B   177   65.121   −4.418   29.353   1.00   31.48   7       ATOM   3527   CA   ILE B   177   66.307   −5.079   28.865   1.00   32.30   6       ATOM   3528   C   ILE B   177   66.572   −6.407   29.607   1.00   30.07   6       ATOM   3529   O   ILE B   177   66.054   −6.698   −30.686   1.00   32.04   8       ATOM   3530   CB   ILE B   177   67.641   −4.292   28.903   1.00   33.70   6       ATOM   3531   CG1   ILE B   177   68.066   −3.943   30.331   1.00   33.12   6       ATOM   3532   CG2   ILE B   177   67.518   −3.039   28.030   1.00   34.28   6       ATOM   3533   CD1   ILE B   177   69.430   −3.243   30.349   1.00   34.81   6       ATOM   3534   N   MET B   178   67.408   −7.204   28.952   1.00   32.08   7       ATOM   3535   CA   MET B   178   67.674   −8.503   29.572   1.00   35.37   6       ATOM   3536   C   MET B   178   68.620   −8.292   30.772   1.00   34.12   6       ATOM   3537   O   MET B   178   69.597   −7.573   30.642   1.00   31.98   8       ATOM   3538   CB   MET B   178   68.295   −9.532   28.641   1.00   40.27   6       ATOM   3539   CG   MET B   178   67.437   −10.819   28.679   1.00   44.21   6       ATOM   3540   SD   MET B   178   68.203   −12.124   27.749   1.00   51.85   16       ATOM   3541   CE   MET B   178   69.561   −11.316   26.916   1.00   48.86   6       ATOM   3542   N   ARG B   179   68.313   −8.994   31.814   1.00   35.69   7       ATOM   3543   CA   ARG B   179   69.085   −8.847   33.060   1.00   36.43   6       ATOM   3544   C   ARG B   179   69.292   −10.188   33.715   1.00   37.86   6       ATOM   3545   O   ARG B   179   68.430   −11.054   33.618   1.00   38.23   8       ATOM   3546   CB   ARG B   179   68.260   −7.887   33.870   1.00   36.62   6       ATOM   3547   CG   ARG B   179   68.473   −7.248   35.163   1.00   38.40   6       ATOM   3548   CD   ARG B   179   67.373   −6.311   35.598   1.00   34.70   6       ATOM   3549   NE   ARG B   179   67.202   −5.122   34.808   1.00   31.82   7       ATOM   3550   CZ   ARG B   179   68.057   −4.149   34.534   1.00   32.71   6       ATOM   3551   NH1   ARG B   179   69.308   −4.167   34.984   1.00   30.99   7       ATOM   3552   NH2   ARG B   179   67.715   −3.067   33.831   1.00   33.25   7       ATOM   3553   N   ALA B   180   70.363   −10.335   34.477   1.00   36.11   7       ATOM   3554   CA   ALA B   180   70.602   −11.562   35.235   1.00   36.60   6       ATOM   3555   C   ALA B   180   69.640   −11.614   36.404   1.00   36.37   6       ATOM   3556   O   ALA B   180   68.929   −10.685   36.743   1.00   36.44   8       ATOM   3557   CB   ALA B   180   72.048   −11.541   35.689   1.00   36.08   6       ATOM   3558   N   LYS B   181   69.621   −12.775   37.102   1.00   37.25   7       ATOM   3559   CA   LYS B   181   68.797   −12.903   38.292   1.00   38.41   6       ATOM   3560   C   LYS B   181   69.223   −11.942   39.395   1.00   37.82   6       ATOM   3561   O   LYS B   181   68.366   −11.482   40.158   1.00   40.11   8       ATOM   3562   CB   LYS B   181   68.862   −14.317   38.895   1.00   39.54   6       ATOM   3563   N   ASP B   182   70.495   −11.584   39.503   1.00   36.65   7       ATOM   3564   CA   ASP B   182   70.935   −10.663   40.548   1.00   35.51   6       ATOM   3565   C   ASP B   182   70.714   −9.206   40.091   1.00   35.06   6       ATOM   3566   O   ASP B   182   71.004   −8.303   40.868   1.00   33.11   8       ATOM   3567   CB   ASP B   182   72.392   −10.861   40.981   1.00   37.04   6       ATOM   3568   CG   ASP B   182   73.414   −10.661   39.890   1.00   38.43   6       ATOM   3569   OD1   ASP B   182   73.047   −10.265   38.753   1.00   38.66   8       ATOM   3570   OD2   ASP B   182   74.624   −10.938   40.116   1.00   38.45   8       ATOM   3571   N   GLY B   183   70.283   −8.992   38.840   1.00   35.23   7       ATOM   3572   CA   GLY B   183   69.907   −7.618   38.467   1.00   32.81   6       ATOM   3573   C   GLY B   183   70.883   −7.003   37.494   1.00   33.61   6       ATOM   3574   O   GLY B   183   70.523   −5.956   36.928   1.00   33.06   8       ATOM   3575   N   LEU B   184   72.029   −7.592   37.220   1.00   31.99   7       ATOM   3576   CA   LEU B   184   72.977   −7.004   36.286   1.00   32.29   6       ATOM   3577   C   LEU B   184   72.517   −7.011   34.826   1.00   33.46   6       ATOM   3578   O   LEU B   184   72.300   −8.130   34.314   1.00   32.16   8       ATOM   3579   CB   LEU B   184   74.325   −7.737   36.370   1.00   32.38   6       ATOM   3580   CG   LEU B   184   75.481   −7.019   35.655   1.00   32.34   6       ATOM   3581   CD1   LEU B   184   75.643   −5.559   36.125   1.00   34.61   6       ATOM   3582   CD2   LEU B   184   76.748   −7.838   35.853   1.00   34.57   6       ATOM   3583   N   ALA B   185   72.466   −5.818   34.204   1.00   32.96   7       ATOM   3584   CA   ALA B   185   72.099   −5.821   32.780   1.00   33.17   6       ATOM   3585   C   ALA B   185   73.053   −6.670   31.950   1.00   35.69   6       ATOM   3586   O   ALA B   185   74.281   −6.510   32.057   1.00   35.57   8       ATOM   3587   CB   ALA B   185   72.076   −4.368   32.316   1.00   29.95   6       ATOM   1443   N   LEU B   186   72.752   −7.823   31.203   1.00   16.87           ATOM   1444   CA   LEU B   186   73.699   −8.676   30.476   1.00   16.99           ATOM   1445   C   LEU B   186   74.354   −7.793   29.406   1.00   17.67           ATOM   1446   O   LEU B   186   73.662   −7.050   28.666   1.00   20.34           ATOM   1447   CB   LEU B   186   73.001   −9.890   29.872   1.00   16.87           ATOM   1448   CG   LEU B   186   72.315   −10.841   30.851   1.00   18.67           ATOM   1449   CD1   LEU B   186   71.803   −12.062   30.097   1.00   20.67           ATOM   1450   CD2   LEU B   186   73.289   −11.257   31.936   1.00   17.31           ATOM   1451   N   SER B   187   75.650   −7.991   29.285   1.00   18.83           ATOM   1452   CA   SER B   187   76.407   −7.179   28.327   1.00   17.18           ATOM   1453   C   SER B   187   77.754   −7.771   28.079   1.00   17.64           ATOM   1454   O   SER B   187   78.405   −8.305   28.987   1.00   18.63           ATOM   1455   CB   SER B   187   76.597   −5.762   28.933   1.00   20.23           ATOM   1456   OG   SER B   187   77.485   −4.989   28.093   1.00   20.91           ATOM   1457   N   SER B   188   78.290   −7.564   26.832   1.00   17.55           ATOM   1458   CA   SER B   188   79.706   −7.917   26.649   1.00   17.70           ATOM   1459   C   SER B   188   80.653   −7.182   27.579   1.00   17.74           ATOM   1460   O   SER B   188   81.764   −7.648   27.944   1.00   18.92           ATOM   1461   CB   SER B   188   80.127   −7.598   25.196   1.00   19.73           ATOM   1462   OG   SER B   188   79.893   −6.208   24.915   1.00   20.84           ATOM   1463   N   ARG B   189   80.298   −6.012   28.096   1.00   18.16           ATOM   1464   CA   ARG B   189   81.104   −5.205   28.988   1.00   19.85           ATOM   1465   C   ARG B   189   81.386   −5.909   30.311   1.00   20.33           ATOM   1466   O   ARG B   189   82.356   −5.612   30.969   1.00   21.91           ATOM   1467   CB   ARG B   189   80.426   −3.848   29.284   1.00   20.55           ATOM   1468   CG   ARG B   189   80.245   −3.075   27.973   1.00   22.89           ATOM   1469   CD   ARG B   189   79.609   −1.707   28.273   1.00   23.21           ATOM   1470   NE   ARG B   189   79.461   −1.073   26.939   1.00   25.97           ATOM   1471   CZ   ARG B   189   79.880   0.157   26.683   1.00   28.29           ATOM   1472   NH1   ARG B   189   80.387   0.915   27.617   1.00   26.60           ATOM   1473   NH2   ARG B   189   79.714   0.627   25.429   1.00   28.41           ATOM   1474   N   ASN B   190   80.441   −6.790   30.763   1.00   19.42           ATOM   1475   CA   ASN B   190   80.639   −7.442   32.041   1.00   19.64           ATOM   1476   C   ASN B   190   81.891   −8.271   32.059   1.00   22.61           ATOM   1477   O   ASN B   190   82.467   −8.717   33.097   1.00   23.27           ATOM   1478   CB   ASN B   190   79.437   −8.347   32.355   1.00   19.54           ATOM   1479   CG   ASN B   190   78.168   −7.518   32.494   1.00   21.41           ATOM   1480   OD1   ASN B   190   77.045   −8.077   32.323   1.00   21.40           ATOM   1481   ND2   ASN B   190   78.310   −6.244   32.814   1.00   19.16           ATOM   1497   N   GLY B   191   82.333   −8.712   30.735   1.00   27.44           ATOM   1498   CA   GLY B   191   83.554   −9.514   30.632   1.00   28.04           ATOM   1499   C   GLY B   191   84.823   −8.796   31.035   1.00   29.70           ATOM   1500   O   GLY B   191   85.815   −9.487   31.266   1.00   31.47           ATOM   1482   N   TYR B   192   84.825   −7.501   31.228   1.00   26.92           ATOM   1483   CA   TYR B   192   86.032   −6.786   31.629   1.00   29.88           ATOM   1484   C   TYR B   192   86.054   −6.581   33.125   1.00   29.91           ATOM   1485   O   TYR B   192   87.053   −5.998   33.601   1.00   34.28           ATOM   1486   CB   TYR B   192   86.154   −5.424   30.922   1.00   30.32           ATOM   1487   CG   TYR B   192   86.340   −5.687   29.438   1.00   32.17           ATOM   1488   CD1   TYR B   192   85.211   −5.943   28.667   1.00   32.38           ATOM   1489   OD2   TYR B   192   87.596   −5.764   28.842   1.00   34.00           ATOM   1490   CE1   TYR B   192   85.313   −6.234   27.337   1.00   35.21           ATOM   1491   CE2   TYR B   192   87.703   −6.056   27.486   1.00   34.55           ATOM   1492   CZ   TYR B   192   86.578   −6.276   26.747   1.00   36.66           ATOM   1493   OH   TYR B   192   86.631   −6.577   25.395   1.00   38.33           ATOM   1494   N   LEU B   193   85.033   −7.028   33.865   1.00   28.20           ATOM   1495   CA   LEU B   193   85.075   −6.900   35.299   1.00   26.63           ATOM   1496   C   LEU B   193   85.870   −7.994   35.986   1.00   27.15           ATOM   1497   O   LEU B   193   85.690   −9.155   35.614   1.00   28.28           ATOM   1498   CB   LEU B   193   83.651   −6.979   35.888   1.00   26.20           ATOM   1499   CG   LEU B   193   82.648   −5.971   35.339   1.00   25.58           ATOM   1500   CD1   LEU B   193   81.223   −6.375   35.649   1.00   24.08           ATOM   1501   CD2   LEU B   193   82.909   −4.563   35.910   1.00   27.77           ATOM   1502   N   THR B   194   86.596   −7.704   37.090   1.00   28.42           ATOM   1503   CA   THR B   194   87.177   −8.819   37.838   1.00   27.62           ATOM   1504   C   THR B   194   86.087   −9.564   38.585   1.00   25.74           ATOM   1505   O   THR B   194   84.983   −8.990   38.712   1.00   26.48           ATOM   1506   CB   THR B   194   88.236   −8.313   38.835   1.00   29.34           ATOM   1507   OG1   THR B   194   87.611   −7.354   39.693   1.00   30.55           ATOM   1508   CG2   THR B   194   89.370   −7.647   38.064   1.00   32.65           ATOM   3620   N   ALA B   195   86.095   −11.397   38.739   1.00   45.01   7       ATOM   3621   CA   ALA B   195   85.137   −12.052   39.619   1.00   45.61   6       ATOM   3622   C   ALA B   195   84.702   −11.095   40.732   1.00   46.90   6       ATOM   3623   O   ALA B   195   83.510   −11.093   41.082   1.00   45.91   8       ATOM   3624   CB   ALA B   195   85.717   −13.336   40.196   1.00   46.79   6       ATOM   3625   N   GLU B   196   85.603   −10.280   41.278   1.00   47.33   7       ATOM   3626   CA   GLU B   196   85.242   −9.350   42.330   1.00   48.34   6       ATOM   3627   C   GLU B   196   84.313   −8.252   41.828   1.00   46.99   6       ATOM   3628   O   GLU B   196   83.325   −7.912   42.497   1.00   47.72   8       ATOM   3629   CB   GLU B   196   86.459   −8.634   42.959   1.00   52.20   6       ATOM   3630   CG   GLU B   196   86.011   −7.646   44.018   1.00   56.19   6       ATOM   3631   CD   GLU B   196   86.989   −6.639   44.543   1.00   59.41   6       ATOM   3632   OE1   GLU B   196   88.104   −6.474   43.993   1.00   61.45   8       ATOM   3633   OE2   GLU B   196   86.639   −5.966   45.555   1.00   61.84   8       ATOM   3634   N   GLN B   197   84.641   −7.664   40.687   1.00   44.75   7       ATOM   3635   CA   GLN B   197   83.801   −6.624   40.095   1.00   43.46   6       ATOM   3636   C   GLN B   197   82.428   −7.188   39.782   1.00   42.72   6       ATOM   3637   O   GLN B   197   81.425   −6.478   39.983   1.00   41.97   8       ATOM   3638   CB   GLN B   197   84.430   −6.018   38.832   1.00   43.86   6       ATOM   3639   CG   GLN B   197   85.754   −5.346   39.203   1.00   46.24   6       ATOM   3640   CD   GLN B   197   86.485   −4.709   38.047   1.00   48.63   6       ATOM   3641   OE1   GLN B   197   86.387   −5.148   36.902   1.00   50.12   8       ATOM   3642   NE2   GLN B   197   87.247   −3.655   38.397   1.00   49.65   7       ATOM   3643   N   ARG B   198   82.339   −8.436   39.342   1.00   40.11   7       ATOM   3644   CA   ARG B   198   81.024   −9.023   39.025   1.00   40.65   6       ATOM   3645   C   ARG B   198   80.231   −9.134   40.321   1.00   40.50   6       ATOM   3646   O   ARG B   198   79.001   −9.070   40.226   1.00   40.26   8       ATOM   3647   CB   ARG B   198   81.196   −10.331   38.255   1.00   38.75   6       ATOM   3648   CG   ARG B   198   79.950   −11.169   37.980   1.00   40.23   6       ATOM   3649   CD   ARG B   198   78.984   −10.360   37.114   1.00   38.56   6       ATOM   3650   NE   ARG B   198   77.712   −10.999   36.860   1.00   40.33   7       ATOM   3651   CZ   ARG B   198   76.685   −10.913   37.703   1.00   38.73   6       ATOM   3652   NH1   ARG B   198   76.828   −10.212   38.843   1.00   37.38   7       ATOM   3653   NH2   ARG B   198   75.530   −11.506   37.383   1.00   39.11   7       ATOM   3654   N   LYS B   199   80.821   −9.198   41.506   1.00   40.18   7       ATOM   3655   CA   LYS B   199   80.067   −9.237   42.738   1.00   41.84   6       ATOM   3656   C   LYS B   199   79.519   −7.843   43.083   1.00   39.14   6       ATOM   3657   O   LYS B   199   78.440   −7.806   43.660   1.00   39.85   8       ATOM   3658   CB   LYS B   199   80.852   −9.706   43.969   1.00   44.70   6       ATOM   3659   CG   LYS B   199   81.675   −10.963   43.783   1.00   48.43   6       ATOM   3660   CD   LYS B   199   82.186   −11.540   45.087   1.00   50.67   6       ATOM   3661   CE   LYS B   199   82.837   −10.559   46.037   1.00   52.79   6       ATOM   3662   NZ   LYS B   199   84.285   −10.286   45.751   1.00   55.36   7       ATOM   3663   N   ILE B   200   80.245   −6.791   42.754   1.00   36.48   7       ATOM   3664   CA   ILE B   200   79.815   −5.425   43.013   1.00   36.30   6       ATOM   3665   C   ILE B   200   78.867   −4.836   41.964   1.00   34.09   6       ATOM   3666   O   ILE B   200   77.970   −4.048   42.300   1.00   31.98   8       ATOM   3667   CB   ILE B   200   81.036   −4.477   43.052   1.00   37.30   6       ATOM   3668   CG1   ILE B   200   81.938   −4.835   44.261   1.00   39.39   6       ATOM   3669   CG2   ILE B   200   80.668   −2.995   43.087   1.00   38.32   6       ATOM   3670   CD1   ILE B   200   83.228   −4.024   44.171   1.00   39.23   6       ATOM   3671   N   ALA B   201   78.923   −5.343   40.749   1.00   31.89   7       ATOM   3672   CA   ALA B   201   78.199   −4.790   39.605   1.00   30.33   6       ATOM   3673   C   ALA B   201   76.683   −4.738   39.757   1.00   30.26   6       ATOM   3674   O   ALA B   201   76.126   −3.736   39.270   1.00   28.19   8       ATOM   3675   CB   ALA B   201   78.588   −5.549   38.327   1.00   31.33   6       ATOM   3676   N   PRO B   202   75.978   −5.632   40.395   1.00   29.89   7       ATOM   3677   CA   PRO B   202   74.538   −5.483   40.618   1.00   31.17   6       ATOM   3678   C   PRO B   202   74.130   −4.220   41.350   1.00   30.89   6       ATOM   3679   O   PRO B   202   72.942   −3.842   41.356   1.00   33.70   8       ATOM   3680   CB   PRO B   202   74.171   −6.714   41.422   1.00   31.80   6       ATOM   3681   CG   PRO B   202   75.203   −7.727   41.041   1.00   32.51   6       ATOM   3682   CD   PRO B   202   76.485   −6.926   40.935   1.00   30.92   6       ATOM   3683   N   GLY B   203   75.003   −3.520   42.079   1.00   30.61   7       ATOM   3684   CA   GLY B   203   74.724   −2.274   42.775   1.00   29.71   6       ATOM   3685   C   GLY B   203   74.185   −1.180   41.844   1.00   29.14   6       ATOM   3686   O   GLY B   203   73.382   −0.333   42.278   1.00   27.39   8       ATOM   3687   N   LEU B   204   74.569   −1.208   40.562   1.00   26.29   7       ATOM   3688   CA   LEU B   204   74.116   −0.193   39.634   1.00   27.87   6       ATOM   3689   C   LEU B   204   72.595   −0.279   39.482   1.00   26.50   6       ATOM   3690   O   LEU B   204   71.878   0.736   39.532   1.00   26.32   8       ATOM   3691   CB   LEU B   204   74.789   −0.294   38.259   1.00   28.45   6       ATOM   3692   CG   LEU B   204   74.362   0.731   37.212   1.00   29.87   6       ATOM   3693   CD1   LEU B   204   74.600   2.168   37.697   1.00   31.40   6       ATOM   3694   CD2   LEU B   204   75.087   0.559   35.887   1.00   32.44   6       ATOM   3695   N   TYR B   205   72.132   −1.509   39.245   1.00   26.81   7       ATOM   3696   CA   TYR B   205   70.667   −1.619   39.081   1.00   28.26   6       ATOM   3697   C   TYR B   205   69.946   −1.322   40.382   1.00   28.28   6       ATOM   3698   O   TYR B   205   68.816   −0.829   40.340   1.00   27.87   8       ATOM   3699   CB   TYR B   205   70.328   −2.995   38.524   1.00   27.88   6       ATOM   3700   CG   TYR B   205   68.848   −3.144   38.265   1.00   30.23   6       ATOM   3701   CD1   TYR B   205   68.193   −2.323   37.360   1.00   30.41   6       ATOM   3702   CD2   TYR B   205   68.111   −4.106   38.935   1.00   32.30   6       ATOM   3703   CE1   TYR B   205   66.838   −2.493   37.115   1.00   31.17   6       ATOM   3704   CE2   TYR B   205   66.743   −4.304   38.698   1.00   32.16   6       ATOM   3705   CZ   TYR B   205   66.134   −3.480   37.784   1.00   33.79   6       ATOM   3706   OH   TYR B   205   64.774   −3.587   37.529   1.00   36.69   8       ATOM   3707   N   LYS B   206   70.554   −1.567   41.568   1.00   27.79   7       ATOM   3708   CA   LYS B   206   69.949   −1.137   42.812   1.00   23.48   6       ATOM   3709   C   LYS B   206   69.794   0.379   42.849   1.00   26.89   6       ATOM   3710   O   LYS B   206   68.729   0.847   43.295   1.00   26.06   8       ATOM   3711   CB   LYS B   206   70.814   −1.650   44.005   1.00   31.12   6       ATOM   3712   CG   LYS B   206   70.702   −3.191   44.056   1.00   35.12   6       ATOM   3713   CD   LYS B   206   71.439   −3.803   45.235   1.00   38.80   6       ATOM   3714   CE   LYS B   206   71.267   −5.329   45.230   1.00   41.11   6       ATOM   3715   NZ   LYS B   206   72.055   −5.939   46.361   1.00   44.45   7       ATOM   3716   N   VAL B   207   70.786   1.151   42.450   1.00   24.10   7       ATOM   3717   CA   VAL B   207   70.698   2.623   42.437   1.00   23.57   6       ATOM   3718   C   VAL B   207   69.692   3.075   41.353   1.00   25.00   6       ATOM   3719   O   VAL B   207   68.785   3.854   41.709   1.00   25.30   8       ATOM   3720   CB   VAL B   207   72.075   3.263   42.273   1.00   25.80   6       ATOM   3721   CG1   VAL B   207   71.998   4.765   42.088   1.00   24.61   6       ATOM   3722   CG2   VAL B   207   72.941   2.900   43.507   1.00   26.07   6       ATOM   3723   N   LEU B   208   69.679   2.455   40.200   1.00   25.37   7       ATOM   3724   CA   LEU B   208   68.640   2.782   39.185   1.00   25.10   6       ATOM   3725   C   LEU B   208   67.243   2.553   39.694   1.00   24.92   6       ATOM   3726   O   LEU B   208   66.280   3.338   39.468   1.00   25.42   8       ATOM   3727   CB   LEU B   208   68.989   1.910   37.985   1.00   26.66   6       ATOM   3728   CG   LEU B   208   68.261   2.079   36.661   1.00   30.34   6       ATOM   3729   CD1   LEU B   208   68.389   3.525   36.163   1.00   32.04   6       ATOM   3730   CD2   LEU B   208   68.793   1.084   35.646   1.00   31.70   6       ATOM   3731   N   SER B   209   67.019   1.416   40.355   1.00   26.22   7       ATOM   3732   CA   SER B   209   65.726   1.035   40.907   1.00   29.64   6       ATOM   3733   C   SER B   209   65.293   2.025   41.988   1.00   30.28   6       ATOM   3734   O   SER B   209   64.107   2.380   42.055   1.00   30.20   8       ATOM   3735   CB   SER B   209   65.710   −0.386   41.480   1.00   30.00   6       ATOM   3736   OG   SER B   209   65.923   −1.312   40.425   1.00   32.79   8       ATOM   3737   N   SER B   210   66.262   2.526   42.772   1.00   29.87   7       ATOM   3738   CA   SER B   210   65.938   3.533   43.764   1.00   30.73   6       ATOM   3739   C   SER B   210   65.469   4.839   43.141   1.00   28.63   6       ATOM   3740   O   SER B   210   64.551   5.481   43.694   1.00   30.02   8       ATOM   3741   CB   SER B   210   67.171   3.837   44.652   1.00   33.65   6       ATOM   3742   OG   SER B   210   66.847   4.965   45.451   1.00   38.88   8       ATOM   3743   N   ILE B   211   66.115   5.259   42.067   1.00   26.67   7       ATOM   3744   CA   ILE B   211   65.727   6.462   41.337   1.00   26.97   6       ATOM   3745   C   ILE B   211   64.283   6.278   40.860   1.00   29.84   6       ATOM   3746   O   ILE B   211   63.426   7.151   41.011   1.00   29.98   8       ATOM   3747   CB   ILE B   211   66.584   6.759   40.124   1.00   26.70   6       ATOM   3748   CG1   ILE B   211   68.031   7.036   40.607   1.00   26.03   6       ATOM   3749   CG2   ILE B   211   66.046   7.935   39.290   1.00   27.20   6       ATOM   3750   CD1   ILE B   211   69.081   7.179   39.551   1.00   25.43   6       ATOM   3751   N   ALA B   212   64.062   5.111   40.250   1.00   29.63   7       ATOM   3752   CA   ALA B   212   62.703   4.840   39.732   1.00   31.76   6       ATOM   3753   C   ALA B   212   61.680   4.874   40.827   1.00   33.70   6       ATOM   3754   O   ALA B   212   60.601   5.488   40.669   1.00   35.70   8       ATOM   3755   CB   ALA B   212   62.713   3.477   39.041   1.00   30.18   6       ATOM   3756   N   ASP B   213   61.985   4.267   41.976   1.00   35.57   7       ATOM   3757   CA   ASP B   213   61.051   4.267   43.097   1.00   37.44   6       ATOM   3758   C   ASP B   213   60.766   5.705   43.541   1.00   38.51   6       ATOM   3759   O   ASP B   213   59.588   5.981   43.821   1.00   39.54   8       ATOM   3760   CB   ASP B   213   61.540   3.469   44.294   1.00   40.83   6       ATOM   3761   CG   ASP B   213   61.594   1.978   44.075   1.00   43.42   6       ATOM   3762   OD1   ASP B   213   60.952   1.468   43.127   1.00   44.23   8       ATOM   3763   OD2   ASP B   213   62.266   1.294   44.889   1.00   45.13   8       ATOM   3764   N   LYS B   214   61.739   6.605   43.622   1.00   36.89   7       ATOM   3765   CA   LYS B   214   61.439   7.980   44.023   1.00   37.14   6       ATOM   3766   C   LYS B   214   60.553   8.695   43.015   1.00   38.10   6       ATOM   3767   O   LYS B   214   59.689   9.521   43.354   1.00   38.08   8       ATOM   3768   CB   LYS B   214   62.734   8.783   44.210   1.00   35.35   6       ATOM   3769   CG   LYS B   214   63.592   8.274   45.353   1.00   34.18   6       ATOM   3770   CD   LYS B   214   64.924   9.016   45.447   1.00   33.76   6       ATOM   3771   CE   LYS B   214   65.708   8.660   46.703   1.00   35.46   6       ATOM   3772   NZ   LYS B   214   66.968   9.471   46.836   1.00   33.81   7       ATOM   3773   N   LEU B   215   60.824   8.468   41.720   1.00   37.41   7       ATOM   3774   CA   LEU B   215   60.005   9.116   40.679   1.00   38.52   6       ATOM   3775   C   LEU B   215   58.575   8.587   40.776   1.00   41.72   6       ATOM   3776   O   LEU B   215   57.606   9.372   40.631   1.00   41.98   8       ATOM   3777   CB   LEU B   215   60.604   8.904   39.310   1.00   37.43   6       ATOM   3778   CG   LEU B   215   61.897   9.594   38.900   1.00   36.45   6       ATOM   3779   CD1   LEU B   215   62.313   9.105   37.529   1.00   36.60   6       ATOM   3780   CD2   LEU B   215   61.767   11.119   38.869   1.00   37.66   6       ATOM   3781   N   GLN B   216   58.409   7.300   41.061   1.00   42.52   7       ATOM   3782   CA   GLN B   216   57.077   6.739   41.231   1.00   46.61   6       ATOM   3783   C   GLN B   216   56.353   7.337   42.439   1.00   47.19   6       ATOM   3784   O   GLN B   216   55.125   7.438   42.427   1.00   48.78   8       ATOM   3785   CB   GLN B   216   57.069   5.232   41.449   1.00   48.29   6       ATOM   3786   CG   GLN B   216   57.290   4.444   40.180   1.00   53.02   6       ATOM   3787   CD   GLN B   216   56.839   3.002   40.322   1.00   54.94   6       ATOM   3788   OE1   GLN B   216   55.736   2.658   39.896   1.00   57.54   8       ATOM   3789   NE2   GLN B   216   57.710   2.210   40.927   1.00   55.50   7       ATOM   3790   N   ALA B   217   57.092   7.678   43.486   1.00   46.68   7       ATOM   3791   CA   ALA B   217   56.502   8.282   44.665   1.00   47.12   6       ATOM   3792   C   ALA B   217   56.114   9.746   44.444   1.00   46.63   6       ATOM   3793   O   ALA B   217   55.403   10.274   45.308   1.00   47.81   8       ATOM   3794   CB   ALA B   217   57.460   8.177   45.853   1.00   46.15   6       ATOM   3795   N   GLY B   218   56.519   10.406   43.374   1.00   45.52   7       ATOM   3796   CA   GLY B   218   56.156   11.790   43.127   1.00   45.00   6       ATOM   3797   C   GLY B   218   57.308   12.764   43.230   1.00   45.03   6       ATOM   3798   O   GLY B   218   57.199   13.970   42.964   1.00   45.86   8       ATOM   3799   N   GLU B   219   58.491   12.255   43.605   1.00   43.84   7       ATOM   3800   CA   GLU B   219   59.664   13.121   43.708   1.00   43.09   6       ATOM   3801   C   GLU B   219   60.052   13.746   42.388   1.00   40.95   6       ATOM   3802   O   GLU B   219   60.141   13.088   41.333   1.00   39.42   8       ATOM   3803   CB   GLU B   219   60.804   12.270   44.287   1.00   45.88   6       ATOM   3804   CG   GLU B   219   61.238   12.787   45.633   1.00   50.50   6       ATOM   3805   CD   GLU B   219   62.401   12.048   46.269   1.00   52.33   6       ATOM   3806   OE1   GLU B   219   62.065   11.125   47.052   1.00   54.16   8       ATOM   3807   OE2   GLU B   219   63.564   12.388   46.016   1.00   53.19   8       ATOM   3808   N   ARG B   220   60.247   15.065   42.373   1.00   38.26   7       ATOM   3809   CA   ARG B   220   60.572   15.785   41.151   1.00   38.87   6       ATOM   3810   C   ARG B   220   61.803   16.664   41.272   1.00   38.94   6       ATOM   3811   O   ARG B   220   62.119   17.358   40.305   1.00   39.85   8       ATOM   3812   CB   ARG B   220   59.396   16.676   40.670   1.00   39.03   6       ATOM   3813   CG   ARG B   220   58.187   15.871   40.179   1.00   39.62   6       ATOM   3814   CD   ARG B   220   58.562   15.016   38.972   1.00   39.07   6       ATOM   3815   NE   ARG B   220   57.490   14.110   38.632   1.00   39.25   7       ATOM   3816   CZ   ARG B   220   57.184   12.886   39.019   1.00   39.75   6       ATOM   3817   NH1   ARG B   220   57.946   12.211   39.893   1.00   39.07   7       ATOM   3818   NH2   ARG B   220   56.073   12.331   38.529   1.00   38.25   7       ATOM   3819   N   ASP B   221   62.564   16.577   42.361   1.00   38.00   7       ATOM   3820   CA   ASP B   221   63.792   17.372   42.433   1.00   38.21   6       ATOM   3821   C   ASP B   221   64.911   16.557   41.791   1.00   36.88   6       ATOM   3822   O   ASP B   221   65.691   15.899   42.474   1.00   36.84   8       ATOM   3823   CB   ASP B   221   64.146   17.760   43.866   1.00   40.08   6       ATOM   3824   CG   ASP B   221   65.276   18.775   43.867   1.00   40.98   6       ATOM   3825   OD1   ASP B   221   66.189   18.865   43.017   1.00   40.33   8       ATOM   3826   OD2   ASP B   221   65.237   19.583   44.824   1.00   45.27   8       ATOM   3827   N   LEU B   222   64.940   16.559   40.472   1.00   36.51   7       ATOM   3828   CA   LEU B   222   65.839   15.703   39.697   1.00   35.37   6       ATOM   3829   C   LEU B   222   67.312   15.852   40.004   1.00   34.02   6       ATOM   3830   O   LEU B   222   68.053   14.855   40.041   1.00   31.24   8       ATOM   3831   CB   LEU B   222   65.575   15.983   38.203   1.00   35.83   6       ATOM   3832   CG   LEU B   222   64.144   15.686   37.720   1.00   38.11   6       ATOM   3833   CD1   LEU B   222   64.187   15.314   36.239   1.00   38.86   6       ATOM   3834   CD2   LEU B   222   63.430   14.608   38.526   1.00   36.91   6       ATOM   3835   N   ASP B   223   67.763   17.101   40.153   1.00   33.49   7       ATOM   3836   CA   ASP B   223   69.154   17.349   40.442   1.00   33.63   6       ATOM   3837   C   ASP B   223   69.524   16.656   41.751   1.00   31.73   6       ATOM   3838   O   ASP B   223   70.620   16.132   41.870   1.00   31.34   8       ATOM   3839   CB   ASP B   223   69.494   18.827   40.653   1.00   34.33   6       ATOM   3840   N   GLU B   224   68.635   16.790   42.733   1.00   31.71   7       ATOM   3841   CA   GLU B   224   68.909   16.161   44.035   1.00   31.51   6       ATOM   3842   C   GLU B   224   68.836   14.656   43.974   1.00   29.02   6       ATOM   3843   O   GLU B   224   69.667   13.945   44.502   1.00   28.00   8       ATOM   3844   CB   GLU B   224   67.907   16.696   45.089   1.00   34.56   6       ATOM   3845   CG   GLU B   224   68.123   16.063   46.454   1.00   37.72   6       ATOM   3846   CD   GLU B   224   69.389   16.542   47.140   1.00   42.79   6       ATOM   3847   OE1   GLU B   224   70.120   17.403   46.574   1.00   43.28   8       ATOM   3848   OE2   GLU B   224   69.660   16.051   48.273   1.00   43.45   8       ATOM   3849   N   ILE B   225   67.863   14.079   43.231   1.00   27.24   7       ATOM   3850   CA   ILE B   225   67.835   12.642   43.056   1.00   26.19   6       ATOM   3851   C   ILE B   225   69.109   12.145   42.417   1.00   25.15   6       ATOM   3852   O   ILE B   225   69.651   11.121   42.828   1.00   26.25   8       ATOM   3853   CB   ILE B   225   66.632   12.214   42.152   1.00   28.29   6       ATOM   3854   CG1   ILE B   225   65.340   12.494   42.878   1.00   29.03   6       ATOM   3855   CG2   ILE B   225   66.803   10.740   41.776   1.00   25.65   6       ATOM   3856   CD1   ILE B   225   64.109   12.596   42.001   1.00   31.93   6       ATOM   3857   N   ILE B   226   69.578   12.801   41.373   1.00   26.43   7       ATOM   3858   CA   ILE B   226   70.786   12.406   40.641   1.00   25.84   6       ATOM   3859   C   ILE B   226   72.040   12.551   41.500   1.00   27.10   6       ATOM   3860   O   ILE B   226   72.923   11.716   41.451   1.00   24.94   8       ATOM   3861   CB   ILE B   226   70.923   13.170   39.304   1.00   27.17   6       ATOM   3862   CG1   ILE B   226   69.753   12.662   38.429   1.00   27.18   6       ATOM   3863   CG2   ILE B   226   72.280   12.981   38.632   1.00   27.48   6       ATOM   3864   CD1   ILE B   226   69.562   13.504   37.159   1.00   27.31   6       ATOM   3865   N   THR B   227   72.095   13.642   42.283   1.00   25.81   7       ATOM   3866   CA   THR B   227   73.300   13.811   43.112   1.00   25.80   6       ATOM   3867   C   THR B   227   73.368   12.725   44.157   1.00   24.81   6       ATOM   3868   O   THR B   227   74.457   12.188   44.484   1.00   23.72   8       ATOM   3869   CB   THR B   227   73.230   15.226   43.714   1.00   25.87   6       ATOM   3870   OG1   THR B   227   73.461   16.226   42.719   1.00   27.10   8       ATOM   3871   CG2   THR B   227   74.317   15.419   44.776   1.00   30.13   6       ATOM   3872   N   ILE B   228   72.202   12.447   44.753   1.00   21.50   7       ATOM   3873   CA   ILE B   228   72.230   11.384   45.756   1.00   21.63   6       ATOM   3874   C   ILE B   228   72.645   10.046   45.160   1.00   23.87   6       ATOM   3875   O   ILE B   228   73.410   9.242   45.679   1.00   22.19   8       ATOM   3876   CB   ILE B   228   70.892   11.236   46.481   1.00   21.84   6       ATOM   3877   CG1   ILE B   228   70.746   12.501   47.397   1.00   24.08   6       ATOM   3878   CG2   ILE B   228   70.762   9.964   47.278   1.00   22.76   6       ATOM   3879   CD1   ILE B   228   69.295   12.583   47.901   1.00   26.19   6       ATOM   3880   N   ALA B   229   72.035   9.747   43.962   1.00   23.45   7       ATOM   3881   CA   ALA B   229   72.386   8.510   43.308   1.00   24.32   6       ATOM   3882   C   ALA B   229   73.835   8.419   42.943   1.00   21.10   6       ATOM   3883   O   ALA B   229   74.403   7.325   43.107   1.00   23.01   8       ATOM   3884   CB   ALA B   229   71.481   8.404   42.050   1.00   22.78   6       ATOM   3885   N   GLY B   230   74.533   9.496   42.596   1.00   22.98   7       ATOM   3886   CA   GLY B   230   75.940   9.540   42.325   1.00   25.69   6       ATOM   3887   C   GLY B   230   76.731   9.266   43.636   1.00   25.98   6       ATOM   3888   O   GLY B   230   77.669   8.455   43.656   1.00   23.67   8       ATOM   3889   N   GLN B   231   76.233   9.789   44.748   1.00   25.92   7       ATOM   3890   CA   GLN B   231   76.907   9.478   46.035   1.00   27.99   6       ATOM   3891   C   GLN B   231   76.700   8.048   46.427   1.00   26.47   6       ATOM   3892   O   GLN B   231   77.666   7.384   46.850   1.00   25.84   8       ATOM   3893   CB   GLN B   231   76.407   10.471   47.120   1.00   28.03   6       ATOM   3894   CG   GLN B   231   76.834   10.043   48.531   1.00   32.38   6       ATOM   3895   CD   GLN B   231   78.316   10.219   48.756   1.00   32.95   6       ATOM   3896   OE1   GLN B   231   79.045   10.701   47.905   1.00   33.95   8       ATOM   3897   NE2   GLN B   231   78.780   9.786   49.922   1.00   36.62   7       ATOM   3898   N   GLU B   232   75.516   7.434   46.178   1.00   26.86   7       ATOM   3899   CA   GLU B   232   75.285   6.024   46.475   1.00   25.40   6       ATOM   3900   C   GLU B   232   76.193   5.139   45.605   1.00   27.57   6       ATOM   3901   O   GLU B   232   76.802   4.178   46.110   1.00   28.11   8       ATOM   3902   CB   GLU B   232   73.827   5.559   46.287   1.00   27.07   6       ATOM   3903   CG   GLU B   232   72.820   6.282   47.171   1.00   30.63   6       ATOM   3904   CD   GLU B   232   71.375   5.946   46.930   1.00   34.51   6       ATOM   3905   OE1   GLU B   232   71.033   5.379   45.860   1.00   37.23   8       ATOM   3906   OE2   GLU B   232   70.510   6.232   47.794   1.00   35.98   8       ATOM   3907   N   LEU B   233   76.346   5.489   44.313   1.00   26.60   7       ATOM   3908   CA   LEU B   233   77.272   4.700   43.490   1.00   26.30   6       ATOM   3909   C   LEU B   233   78.710   4.784   44.024   1.00   28.83   6       ATOM   3910   O   LEU B   233   79.402   3.781   44.040   1.00   28.19   8       ATOM   3911   CB   LEU B   233   77.171   5.171   42.025   1.00   27.72   6       ATOM   3912   CG   LEU B   233   75.816   4.809   41.372   1.00   26.70   6       ATOM   3913   CD1   LEU B   233   75.511   5.576   40.104   1.00   27.51   6       ATOM   3914   CD2   LEU B   233   75.819   3.312   41.048   1.00   28.08   6       ATOM   3915   N   ASN B   234   79.166   6.006   44.330   1.00   31.21   7       ATOM   3916   CA   ASN B   234   80.540   6.248   44.790   1.00   32.86   6       ATOM   3917   C   ASN B   234   80.761   5.404   46.020   1.00   32.80   6       ATOM   3918   O   ASN B   234   81.764   4.675   46.099   1.00   34.18   8       ATOM   3919   CB   ASN B   234   80.775   7.750   45.048   1.00   33.46   6       ATOM   3920   CG   ASN B   234   82.187   8.099   45.503   1.00   38.46   6       ATOM   3921   OD1   ASN B   234   82.545   7.889   46.687   1.00   39.27   8       ATOM   3922   ND2   ASN B   234   83.042   8.646   44.636   1.00   38.37   7       ATOM   3923   N   GLU B   235   79.781   5.385   46.942   1.00   32.30   7       ATOM   3924   CA   GLU B   235   79.995   4.556   48.156   1.00   34.69   6       ATOM   3925   C   GLU B   235   80.036   3.082   47.880   1.00   35.00   6       ATOM   3926   O   GLU B   235   80.783   2.325   48.548   1.00   34.91   8       ATOM   3927   CB   GLU B   235   78.927   4.941   49.210   1.00   35.01   6       ATOM   3928   N   LYS B   236   79.431   2.541   46.819   1.00   32.85   7       ATOM   3929   CA   LYS B   236   79.476   1.161   46.438   1.00   32.12   6       ATOM   3930   C   LYS B   236   80.733   0.795   45.662   1.00   31.23   6       ATOM   3931   O   LYS B   236   81.027   −0.387   45.442   1.00   32.24   8       ATOM   3932   CB   LYS B   236   78.257   0.838   45.530   1.00   31.56   6       ATOM   3933   CG   LYS B   236   76.968   0.739   46.321   1.00   33.04   6       ATOM   3934   CD   LYS B   236   75.825   0.425   45.347   1.00   34.58   6       ATOM   3935   CE   LYS B   236   74.486   0.657   46.017   1.00   38.11   6       ATOM   3936   NZ   LYS B   236   74.152   −0.406   47.008   1.00   41.00   7       ATOM   3937   N   GLY B   237   81.463   1.790   45.196   1.00   31.15   7       ATOM   3938   CA   GLY B   237   82.701   1.595   44.467   1.00   32.69   6       ATOM   3939   C   GLY B   237   82.728   2.025   43.030   1.00   33.87   6       ATOM   3940   O   GLY B   237   83.730   1.798   42.345   1.00   36.00   8       ATOM   3941   N   PHE B   238   81.635   2.625   42.522   1.00   30.77   7       ATOM   3942   CA   PHE B   238   81.579   3.079   41.154   1.00   31.26   6       ATOM   3943   C   PHE B   238   82.111   4.488   41.041   1.00   32.04   6       ATOM   3944   O   PHE B   238   82.216   5.186   42.067   1.00   32.73   8       ATOM   3945   CB   PHE B   238   80.125   3.016   40.628   1.00   31.33   6       ATOM   3946   CG   PHE B   238   79.481   1.668   40.628   1.00   29.12   6       ATOM   3947   CD1   PHE B   238   78.935   1.079   41.736   1.00   29.70   6       ATOM   3948   CD2   PHE B   238   79.401   0.975   39.390   1.00   29.67   6       ATOM   3949   CE1   PHE B   238   78.325   −0.181   41.661   1.00   30.02   6       ATOM   3950   CE2   PHE B   238   78.805   −0.265   39.328   1.00   28.39   6       ATOM   3951   CZ   PHE B   238   78.268   −0.858   40.457   1.00   29.71   6       ATOM   3952   N   ARG B   239   82.539   4.918   39.876   1.00   32.94   7       ATOM   3953   CA   ARG B   239   83.050   6.269   39.716   1.00   35.90   6       ATOM   3954   C   ARG B   239   82.426   6.906   38.487   1.00   38.53   6       ATOM   3955   O   ARG B   239   81.735   6.244   37.694   1.00   38.62   8       ATOM   3956   CB   ARG B   239   84.581   6.280   39.597   1.00   35.70   6       ATOM   3957   CG   ARG B   239   85.340   5.894   40.856   1.00   36.08   6       ATOM   3958   CD   ARG B   239   85.108   6.926   41.956   1.00   35.58   6       ATOM   3959   NE   ARG B   239   85.710   6.612   43.215   1.00   36.21   7       ATOM   3960   CZ   ARG B   239   85.280   5.815   44.190   1.00   37.41   6       ATOM   3961   NH1   ARG B   239   84.113   5.159   44.129   1.00   35.39   7       ATOM   3962   NH2   ARG B   239   86.015   5.707   45.288   1.00   35.70   7       ATOM   3963   N   ALA B   240   82.667   8.199   38.339   1.00   38.40   7       ATOM   3964   CA   ALA B   240   82.310   8.977   37.152   1.00   39.45   6       ATOM   3965   C   ALA B   240   80.954   8.630   36.553   1.00   39.96   6       ATOM   3966   O   ALA B   240   80.846   8.388   35.348   1.00   41.59   8       ATOM   3967   CB   ALA B   240   83.408   8.761   36.103   1.00   39.64   6       ATOM   3968   N   ASP B   241   79.899   8.687   37.369   1.00   39.86   7       ATOM   3969   CA   ASP B   241   78.567   8.382   36.881   1.00   37.91   6       ATOM   3970   C   ASP B   241   78.087   9.495   35.947   1.00   39.44   6       ATOM   3971   O   ASP B   241   78.464   10.658   36.063   1.00   38.78   8       ATOM   3972   CB   ASP B   241   77.554   8.232   38.028   1.00   39.68   6       ATOM   3973   CG   ASP B   241   77.464   9.573   38.758   1.00   42.34   6       ATOM   3974   OD1   ASP B   241   76.577   10.419   38.447   1.00   44.14   8       ATOM   3975   OD2   ASP B   241   78.353   9.828   39.610   1.00   41.04   8       ATOM   3976   N   ASP B   242   77.220   9.122   35.028   1.00   36.17   7       ATOM   3977   CA   ASP B   242   76.543   10.050   34.122   1.00   36.78   6       ATOM   3978   C   ASP B   242   75.102   9.548   34.108   1.00   32.97   6       ATOM   3979   O   ASP B   242   74.890   8.412   33.654   1.00   32.78   8       ATOM   3980   CB   ASP B   242   77.160   10.107   32.755   1.00   41.35   6       ATOM   3981   CG   ASP B   242   76.317   10.792   31.704   1.00   46.81   6       ATOM   3982   OD1   ASP B   242   76.414   10.318   30.543   1.00   50.98   8       ATOM   3983   OD2   ASP B   242   75.539   11.741   31.944   1.00   49.34   8       ATOM   3984   N   ILE B   243   74.204   10.301   34.710   1.00   29.36   7       ATOM   3985   CA   ILE B   243   72.817   9.893   34.861   1.00   27.87   6       ATOM   3986   C   ILE B   243   71.890   10.907   34.213   1.00   28.93   6       ATOM   3987   O   ILE B   243   71.986   12.098   34.489   1.00   28.18   8       ATOM   3988   CB   ILE B   243   72.407   9.746   36.339   1.00   28.09   6       ATOM   3989   CG1   ILE B   243   73.240   8.680   37.065   1.00   28.98   6       ATOM   3990   CG2   ILE B   243   70.934   9.373   36.477   1.00   26.56   6       ATOM   3991   CD1   ILE B   243   73.044   8.655   38.575   1.00   28.71   6       ATOM   3992   N   GLN B   244   70.912   10.442   33.437   1.00   27.35   7       ATOM   3993   CA   GLN B   244   69.944   11.390   32.837   1.00   29.56   6       ATOM   3994   C   GLN B   244   68.550   10.906   33.126   1.00   28.63   6       ATOM   3995   O   GLN B   244   68.328   9.670   33.170   1.00   28.44   8       ATOM   3996   CB   GLN B   244   70.154   11.546   31.342   1.00   32.37   6       ATOM   3997   CG   GLN B   244   71.494   11.871   30.754   1.00   33.10   6       ATOM   3998   N   ILE B   245   67.580   11.792   33.287   1.00   28.47   7       ATOM   3999   CA   ILE B   245   66.194   11.454   33.560   1.00   27.98   6       ATOM   4000   C   ILE B   245   65.367   12.295   32.544   1.00   29.53   6       ATOM   4001   O   ILE B   245   65.647   13.473   32.427   1.00   28.72   8       ATOM   4002   CB   ILE B   245   65.647   11.723   34.955   1.00   30.08   6       ATOM   4003   CG1   ILE B   245   66.275   10.837   36.048   1.00   31.65   6       ATOM   4004   CG2   ILE B   245   64.136   11.475   34.988   1.00   30.80   6       ATOM   4005   CD1   ILE B   245   65.994   11.415   37.433   1.00   33.41   6       ATOM   4006   N   ARG B   246   64.608   11.578   31.703   1.00   28.63   7       ATOM   4007   CA   ARG B   246   63.903   12.319   30.635   1.00   29.40   6       ATOM   4008   C   ARG B   246   62.475   11.841   30.597   1.00   29.33   6       ATOM   4009   O   ARG B   246   62.198   10.775   31.136   1.00   29.29   8       ATOM   4010   CB   ARG B   246   64.481   12.084   29.252   1.00   33.51   6       ATOM   4011   CG   ARG B   246   65.896   12.479   29.026   1.00   37.29   6       ATOM   4012   CD   ARG B   246   66.517   12.212   27.672   1.00   42.16   6       ATOM   4013   NE   ARG B   246   67.527   13.251   27.472   1.00   47.11   7       ATOM   4014   CZ   ARG B   246   68.770   13.142   27.056   1.00   50.44   6       ATOM   4015   NH1   ARG B   246   69.318   11.970   26.737   1.00   53.10   7       ATOM   4016   NH2   ARG B   246   69.502   14.252   26.974   1.00   51.57   7       ATOM   4017   N   ASP B   247   61.544   12.634   30.039   1.00   28.70   7       ATOM   4018   CA   ASP B   247   60.185   12.189   29.792   1.00   29.87   6       ATOM   4019   C   ASP B   247   60.289   11.146   28.656   1.00   25.96   6       ATOM   4020   O   ASP B   247   60.989   11.431   27.671   1.00   27.47   8       ATOM   4021   CB   ASP B   247   59.303   13.349   29.389   1.00   31.15   6       ATOM   4022   CG   ASP B   247   57.894   13.014   28.997   1.00   33.47   6       ATOM   4023   OD1   ASP B   247   57.667   12.084   28.184   1.00   32.45   8       ATOM   4024   OD2   ASP B   247   56.982   13.703   29.524   1.00   33.36   8       ATOM   4025   N   ALA B   248   59.759   9.981   28.873   1.00   27.20   7       ATOM   4026   CA   ALA B   248   59.987   8.893   27.906   1.00   28.58   6       ATOM   4027   C   ALA B   248   59.141   9.055   26.643   1.00   29.88   6       ATOM   4028   O   ALA B   248   59.444   8.315   25.702   1.00   29.99   8       ATOM   4029   CB   ALA B   248   59.652   7.572   28.566   1.00   28.03   6       ATOM   4030   N   ASP B   249   58.121   9.877   26.724   1.00   28.08   7       ATOM   4031   CA   ASP B   249   57.293   10.116   25.513   1.00   30.80   6       ATOM   4032   C   ASP B   249   57.764   11.262   24.667   1.00   29.85   6       ATOM   4033   O   ASP B   249   57.690   11.217   23.402   1.00   30.23   8       ATOM   4034   CB   ASP B   249   55.853   10.392   25.955   1.00   32.78   6       ATOM   4035   CG   ASP B   249   55.226   9.204   26.623   1.00   37.46   6       ATOM   4036   OD1   ASP B   249   55.538   8.084   26.164   1.00   39.14   8       ATOM   4037   OD2   ASP B   249   54.448   9.329   27.595   1.00   39.72   8       ATOM   4038   N   THR B   250   58.264   12.361   25.283   1.00   26.32   7       ATOM   4039   CA   THR B   250   58.710   13.526   24.523   1.00   27.61   6       ATOM   4040   C   THR B   250   60.191   13.683   24.413   1.00   26.93   6       ATOM   4041   O   THR B   250   60.785   14.328   23.570   1.00   28.19   8       ATOM   4042   CB   THR B   250   58.162   14.831   25.186   1.00   30.35   6       ATOM   4043   OG1   THR B   250   58.797   14.978   26.457   1.00   31.06   8       ATOM   4044   CG2   THR B   250   56.677   14.760   25.380   1.00   32.40   6       ATOM   4045   N   LEU B   251   60.891   12.958   25.324   1.00   27.41   7       ATOM   4046   CA   LEU B   251   62.336   12.857   25.461   1.00   30.17   6       ATOM   4047   C   LEU B   251   62.928   14.204   25.968   1.00   31.32   6       ATOM   4048   O   LEU B   251   64.110   14.434   25.775   1.00   33.84   8       ATOM   4049   CB   LEU B   251   63.096   12.483   24.205   1.00   30.53   6       ATOM   4050   CG   LEU B   251   62.568   11.151   23.560   1.00   30.23   6       ATOM   4051   CD1   LEU B   251   63.382   10.891   22.307   1.00   31.95   6       ATOM   4052   CD2   LEU B   251   62.575   10.004   24.541   1.00   30.44   6       ATOM   4053   N   LEU B   252   62.054   15.017   26.483   1.00   33.09   7       ATOM   4054   CA   LEU B   252   62.441   16.323   27.015   1.00   34.68   6       ATOM   4055   C   LEU B   252   62.530   16.162   28.519   1.00   35.10   6       ATOM   4056   O   LEU B   252   62.436   15.037   29.003   1.00   30.04   8       ATOM   4057   CB   LEU B   252   61.439   17.401   26.633   1.00   35.48   6       ATOM   4058   CG   LEU B   252   61.476   17.664   25.106   1.00   38.16   6       ATOM   4059   CD1   LEU B   252   60.219   18.416   24.715   1.00   38.56   6       ATOM   4060   CD2   LEU B   252   62.782   18.361   24.789   1.00   38.57   6       ATOM   4061   N   GLU B   253   62.625   17.316   29.217   1.00   36.82   7       ATOM   4062   CA   GLU B   253   62.731   17.220   30.668   1.00   39.59   6       ATOM   4063   C   GLU B   253   61.417   16.777   31.259   1.00   39.50   6       ATOM   4064   O   GLU B   253   60.403   17.042   30.591   1.00   40.91   8       ATOM   4065   CB   GLU B   253   63.103   18.586   31.274   1.00   42.93   6       ATOM   4066   CG   GLU B   253   64.342   19.202   30.643   1.00   48.27   6       ATOM   4067   CD   GLU B   253   65.560   18.356   30.999   1.00   51.88   6       ATOM   4068   OE1   GLU B   253   65.758   18.143   32.226   1.00   54.42   8       ATOM   4069   OE2   GLU B   253   66.259   17.915   30.063   1.00   53.71   8       ATOM   4070   N   VAL B   254   61.405   16.130   32.403   1.00   39.00   7       ATOM   4071   CA   VAL B   254   60.167   15.751   33.062   1.00   40.35   6       ATOM   4072   C   VAL B   254   59.384   16.991   33.488   1.00   43.05   6       ATOM   4073   O   VAL B   254   59.955   17.997   33.903   1.00   42.79   8       ATOM   4074   CB   VAL B   254   60.425   14.856   34.285   1.00   39.32   6       ATOM   4075   CG1   VAL B   254   59.162   14.614   35.088   1.00   37.70   6       ATOM   4076   CG2   VAL B   254   61.054   13.553   33.783   1.00   38.29   6       ATOM   4077   N   SER B   255   58.070   16.937   33.293   1.00   46.50   7       ATOM   4078   CA   SER B   255   57.178   18.041   33.641   1.00   47.57   6       ATOM   4079   C   SER B   255   56.027   17.520   34.498   1.00   48.72   6       ATOM   4080   O   SER B   255   56.063   16.436   35.062   1.00   49.33   8       ATOM   4081   CB   SER B   255   56.663   18.739   32.379   1.00   47.97   6       ATOM   4082   OG   SER B   255   55.566   18.022   31.814   1.00   50.04   8       ATOM   4083   N   GLU B   256   54.990   18.358   34.593   1.00   48.58   7       ATOM   4084   CA   GLU B   256   53.787   18.010   35.346   1.00   49.19   6       ATOM   4085   C   GLU B   256   52.838   17.201   34.488   1.00   49.15   6       ATOM   4086   O   GLU B   256   51.953   16.493   34.969   1.00   50.39   8       ATOM   4087   CB   GLU B   256   53.154   19.321   35.844   1.00   49.68   6       ATOM   4088   N   THR B   257   53.078   17.241   33.177   1.00   48.71   7       ATOM   4089   CA   THR B   257   52.306   16.471   32.211   1.00   49.54   6       ATOM   4090   C   THR B   257   52.962   15.121   31.914   1.00   48.26   6       ATOM   4091   O   THR B   257   52.333   14.259   31.285   1.00   48.37   8       ATOM   4092   CB   THR B   257   52.146   17.265   30.913   1.00   50.65   6       ATOM   4093   OG1   THR B   257   53.430   17.717   30.454   1.00   52.73   8       ATOM   4094   CG2   THR B   257   51.277   18.496   31.154   1.00   52.44   6       ATOM   4095   N   SER B   258   54.201   14.933   32.368   1.00   44.00   7       ATOM   4096   CA   SER B   258   54.923   13.690   32.124   1.00   43.02   6       ATOM   4097   C   SER B   258   54.197   12.470   32.665   1.00   41.05   6       ATOM   4098   O   SER B   258   53.785   12.435   33.808   1.00   40.25   8       ATOM   4099   CB   SER B   258   56.315   13.710   32.765   1.00   39.95   6       ATOM   4100   OG   SER B   258   57.171   14.561   32.020   1.00   37.63   8       ATOM   4101   N   LYS B   259   54.041   11.453   31.819   1.00   40.55   7       ATOM   4102   CA   LYS B   259   53.347   10.253   32.275   1.00   40.93   6       ATOM   4103   C   LYS B   259   54.339   9.094   32.390   1.00   38.96   6       ATOM   4104   O   LYS B   259   54.036   8.130   33.071   1.00   39.56   8       ATOM   4105   CB   LYS B   259   52.193   9.870   31.340   1.00   44.20   6       ATOM   4106   CG   LYS B   259   51.223   11.038   31.184   1.00   47.43   6       ATOM   4107   CD   LYS B   259   49.868   10.656   30.608   1.00   50.95   6       ATOM   4108   CE   LYS B   259   48.814   11.646   31.143   1.00   52.15   6       ATOM   4109   NZ   LYS B   259   47.678   11.728   30.177   1.00   54.34   7       ATOM   4110   N   ARG B   260   55.446   9.187   31.695   1.00   38.03   7       ATOM   4111   CA   ARG B   260   56.469   8.146   31.706   1.00   36.81   6       ATOM   4112   C   ARG B   260   57.852   8.765   31.794   1.00   33.36   6       ATOM   4113   O   ARG B   260   58.150   9.717   31.075   1.00   30.91   8       ATOM   4114   CB   ARG B   260   56.438   7.267   30.445   1.00   38.22   6       ATOM   4115   CG   ARG B   260   55.182   6.504   30.103   1.00   42.83   6       ATOM   4116   CD   ARG B   260   55.389   5.584   28.896   1.00   43.79   6       ATOM   4117   NE   ARG B   260   54.174   4.856   28.536   1.00   46.34   7       ATOM   4118   N   ALA B   261   58.808   8.142   32.519   1.00   31.91   7       ATOM   4119   CA   ALA B   261   60.182   8.623   32.486   1.00   28.39   6       ATOM   4120   C   ALA B   261   61.176   7.524   32.106   1.00   25.89   6       ATOM   4121   O   ALA B   261   60.882   6.354   32.381   1.00   29.01   8       ATOM   4122   CB   ALA B   261   60.695   9.169   33.836   1.00   29.25   6       ATOM   4123   N   VAL B   262   62.238   7.874   31.454   1.00   27.17   7       ATOM   4124   CA   VAL B   262   63.325   6.947   31.122   1.00   29.12   6       ATOM   4125   C   VAL B   262   64.544   7.432   31.944   1.00   28.50   6       ATOM   4126   O   VAL B   262   64.860   8.605   31.932   1.00   27.83   8       ATOM   4127   CB   VAL B   262   63.659   6.838   29.647   1.00   30.51   6       ATOM   4128   CG1   VAL B   262   63.902   8.231   29.043   1.00   30.91   6       ATOM   4129   CG2   VAL B   262   64.881   5.958   29.356   1.00   30.63   6       ATOM   4130   N   ILE B   263   65.221   6.505   32.611   1.00   29.18   7       ATOM   4131   CA   ILE B   263   66.406   6.792   33.454   1.00   27.39   6       ATOM   4132   C   ILE B   263   67.590   6.119   32.790   1.00   25.94   6       ATOM   4133   O   ILE B   263   67.437   4.906   32.507   1.00   25.04   8       ATOM   4134   CB   ILE B   263   66.243   6.278   34.881   1.00   29.45   6       ATOM   4135   CG1   ILE B   263   64.898   6.687   35.497   1.00   29.18   6       ATOM   4136   CG2   ILE B   263   67.369   6.819   35.758   1.00   29.13   6       ATOM   4137   CD1   ILE B   263   64.395   5.672   36.508   1.00   32.09   6       ATOM   4138   N   LEU B   264   68.626   6.784   32.377   1.00   25.66   7       ATOM   4139   CA   LEU B   264   69.795   6.289   31.701   1.00   27.04   6       ATOM   4140   C   LEU B   264   70.978   6.430   32.666   1.00   29.07   6       ATOM   4141   O   LEU B   264   71.152   7.574   33.143   1.00   29.50   8       ATOM   4142   CB   LEU B   264   70.153   7.070   30.438   1.00   29.75   6       ATOM   4143   CG   LEU B   264   68.950   7.229   29.452   1.00   32.20   6       ATOM   4144   CD1   LEU B   264   69.399   8.095   28.298   1.00   33.01   6       ATOM   4145   CD2   LEU B   264   68.453   5.842   29.091   1.00   31.89   6       ATOM   4146   N   VAL B   265   71.753   5.394   32.886   1.00   29.03   7       ATOM   4147   CA   VAL B   265   72.864   5.494   33.821   1.00   32.13   6       ATOM   4148   C   VAL B   265   74.099   4.822   33.213   1.00   34.01   6       ATOM   4149   O   VAL B   265   74.044   3.750   32.557   1.00   34.46   8       ATOM   4150   CB   VAL B   265   72.642   4.856   35.202   1.00   32.74   6       ATOM   4151   CG1   VAL B   265   71.525   5.474   36.025   1.00   33.45   6       ATOM   4152   CG2   VAL B   265   72.331   3.361   35.046   1.00   33.30   6       ATOM   4153   N   ALA B   266   75.219   5.485   33.397   1.00   33.41   7       ATOM   4154   CA   ALA B   266   76.501   4.926   33.000   1.00   32.14   6       ATOM   4155   C   ALA B   266   77.411   5.092   34.221   1.00   32.17   6       ATOM   4156   O   ALA B   266   77.390   6.213   34.746   1.00   32.13   8       ATOM   4157   CB   ALA B   266   77.139   5.570   31.794   1.00   32.99   6       ATOM   4158   N   ALA B   267   78.175   4.058   34.569   1.00   31.42   7       ATOM   4159   CA   ALA B   267   79.107   4.338   35.679   1.00   32.75   6       ATOM   4160   C   ALA B   267   80.356   3.503   35.491   1.00   35.34   6       ATOM   4161   O   ALA B   267   80.213   2.423   34.884   1.00   36.90   8       ATOM   4162   CB   ALA B   267   78.446   4.006   36.993   1.00   31.22   6       ATOM   4163   N   TRP B   268   81.511   3.868   36.036   1.00   36.69   7       ATOM   4164   CA   TRP B   268   82.665   2.974   35.881   1.00   38.65   6       ATOM   4165   C   TRP B   268   82.910   2.113   37.105   1.00   40.28   6       ATOM   4166   O   TRP B   268   82.777   2.579   38.235   1.00   38.57   8       ATOM   4167   CB   TRP B   268   83.927   3.805   35.609   1.00   40.65   6       ATOM   4168   CG   TRP B   268   83.860   4.563   34.319   1.00   43.80   6       ATOM   4169   CD1   TRP B   268   83.114   5.662   34.040   1.00   44.47   6       ATOM   4170   CD2   TRP B   268   84.577   4.256   33.115   1.00   45.14   6       ATOM   4171   NE1   TRP B   268   83.311   6.063   32.729   1.00   45.41   7       ATOM   4172   CE2   TRP B   268   84.199   5.211   32.144   1.00   45.95   6       ATOM   4173   CE3   TRP B   268   85.470   3.244   32.757   1.00   45.65   6       ATOM   4174   CZ2   TRP B   268   84.703   5.199   30.836   1.00   46.17   6       ATOM   4175   CZ3   TRP B   268   85.984   3.242   31.463   1.00   46.00   6       ATOM   4176   CH2   TRP B   268   85.596   4.206   30.522   1.00   45.63   6       ATOM   4177   N   LEU B   269   83.300   0.869   36.821   1.00   39.18   7       ATOM   4178   CA   LEU B   269   83.691   −0.026   37.916   1.00   43.86   6       ATOM   4179   C   LEU B   269   85.093   −0.471   37.522   1.00   46.33   6       ATOM   4180   O   LEU B   269   85.247   −0.946   36.400   1.00   47.07   8       ATOM   4181   CB   LEU B   269   82.635   −1.086   38.058   1.00   43.77   6       ATOM   4182   CG   LEU B   269   82.651   −2.072   39.212   1.00   44.62   6       ATOM   4183   CD1   LEU B   269   82.571   −1.312   40.537   1.00   44.46   6       ATOM   4184   CD2   LEU B   269   81.518   −3.080   39.046   1.00   42.39   6       ATOM   4185   N   GLY B   270   86.102   −0.049   38.293   1.00   48.41   7       ATOM   4186   CA   GLY B   270   87.475   −0.340   37.862   1.00   51.49   6       ATOM   4187   C   GLY B   270   87.681   0.391   36.532   1.00   54.10   6       ATOM   4188   O   GLY B   270   87.397   1.588   36.464   1.00   54.18   8       ATOM   4189   N   ASP B   271   88.108   −0.331   35.503   1.00   56.24   7       ATOM   4190   CA   ASP B   271   88.288   0.320   34.199   1.00   56.89   6       ATOM   4191   C   ASP B   271   87.142   −0.096   33.280   1.00   54.99   6       ATOM   4192   O   ASP B   271   87.162   0.231   32.097   1.00   55.57   8       ATOM   4193   CB   ASP B   271   89.670   0.026   33.618   1.00   60.69   6       ATOM   4194   CG   ASP B   271   90.400   −1.175   34.164   1.00   64.16   6       ATOM   4195   OD1   ASP B   271   89.789   −2.194   34.571   1.00   65.71   8       ATOM   4196   OD2   ASP B   271   91.657   −1.179   34.206   1.00   66.40   8       ATOM   4197   N   ALA B   272   86.129   −0.780   33.807   1.00   52.97   7       ATOM   4198   CA   ALA B   272   84.966   −1.186   33.031   1.00   50.67   6       ATOM   4199   C   ALA B   272   83.843   −0.149   33.103   1.00   50.64   6       ATOM   4200   O   ALA B   272   83.482   0.315   34.203   1.00   49.32   8       ATOM   4201   CB   ALA B   272   84.389   −2.501   33.520   1.00   50.42   6       ATOM   4202   N   ARG B   273   83.255   0.166   31.958   1.00   47.60   7       ATOM   4203   CA   ARG B   273   82.163   1.131   31.939   1.00   46.77   6       ATOM   4204   C   ARG B   273   80.841   0.398   31.804   1.00   45.84   6       ATOM   4205   O   ARG B   273   80.636   −0.256   30.770   1.00   46.17   8       ATOM   4206   CB   ARG B   273   82.312   2.144   30.804   1.00   48.87   6       ATOM   4207   CG   ARG B   273   81.234   3.214   30.839   1.00   49.86   6       ATOM   4208   CD   ARG B   273   81.436   4.283   29.773   1.00   52.81   6       ATOM   4209   NE   ARG B   273   80.277   5.174   29.733   1.00   54.38   7       ATOM   4210   CZ   ARG B   273   79.665   5.669   28.671   1.00   55.34   6       ATOM   4211   NH1   ARG B   273   80.083   5.410   27.433   1.00   56.45   7       ATOM   4212   NH2   ARG B   273   78.606   6.455   28.819   1.00   54.66   7       ATOM   4213   N   LEU B   274   79.992   0.448   32.821   1.00   41.38   7       ATOM   4214   CA   LEU B   274   78.715   −0.229   32.792   1.00   37.98   6       ATOM   4215   C   LEU B   274   77.584   0.737   32.506   1.00   37.26   6       ATOM   4216   O   LEU B   274   77.586   1.908   32.909   1.00   36.11   8       ATOM   4217   CB   LEU B   274   78.395   −0.939   34.118   1.00   38.68   6       ATOM   4218   CG   LEU B   274   79.554   −1.797   34.654   1.00   41.26   6       ATOM   4219   CD1   LEU B   274   79.161   −2.469   33.960   1.00   41.73   6       ATOM   4220   CD2   LEU B   274   79.999   −2.827   33.625   1.00   42.85   6       ATOM   4221   N   ILE B   275   76.603   0.270   31.724   1.00   35.74   7       ATOM   4222   CA   ILE B   275   75.493   1.141   31.372   1.00   33.53   6       ATOM   4223   C   ILE B   275   74.202   0.402   31.685   1.00   32.45   6       ATOM   4224   O   ILE B   275   74.121   −0.836   31.733   1.00   31.50   8       ATOM   4225   CB   ILE B   275   75.466   1.658   29.914   1.00   36.92   6       ATOM   4226   CG1   ILE B   275   75.105   0.527   28.946   1.00   37.93   6       ATOM   4227   CG2   ILE B   275   76.794   2.331   29.537   1.00   36.91   6       ATOM   4228   CD1   ILE B   275   74.962   1.004   27.506   1.00   38.53   6       ATOM   4229   N   ASP B   276   73.124   1.174   31.933   1.00   28.46   7       ATOM   4230   CA   ASP B   276   71.866   0.517   32.262   1.00   30.30   6       ATOM   4231   C   ASP B   276   70.716   1.517   32.068   1.00   29.63   6       ATOM   4232   O   ASP B   276   71.081   2.666   31.835   1.00   27.88   8       ATOM   4233   CB   ASP B   276   71.937   −0.066   33.671   1.00   32.97   6       ATOM   4234   CG   ASP B   276   70.851   −1.058   33.987   1.00   34.63   6       ATOM   4235   OD1   ASP B   276   69.857   −1.272   33.231   1.00   37.08   8       ATOM   4236   OD2   ASP B   276   70.931   −1.716   35.054   1.00   35.37   8       ATOM   4237   N   ASN B   277   69.478   1.072   32.012   1.00   30.76   7       ATOM   4238   CA   ASN B   277   68.339   1.963   31.738   1.00   31.92   6       ATOM   4239   C   ASN B   277   67.121   1.388   32.426   1.00   29.27   6       ATOM   4240   O   ASN B   277   67.035   0.187   32.641   1.00   30.64   8       ATOM   4241   CB   ASN B   277   68.041   2.214   30.258   1.00   37.99   6       ATOM   4242   CG   ASN B   277   66.700   1.999   29.601   1.00   41.20   6       ATOM   4243   OD1   ASN B   277   65.702   1.397   30.046   1.00   41.98   8       ATOM   4244   ND2   ASN B   277   66.503   2.495   28.345   1.00   41.86   7       ATOM   4245   N   LYS B   278   66.149   2.219   32.760   1.00   28.29   7       ATOM   4246   CA   LYS B   278   64.891   1.736   33.328   1.00   30.58   6       ATOM   4247   C   LYS B   278   63.822   2.756   32.929   1.00   33.32   6       ATOM   4248   O   LYS B   278   64.130   3.940   32.793   1.00   32.01   8       ATOM   4249   CB   LYS B   278   64.919   1.486   34.834   1.00   31.32   6       ATOM   4250   CG   LYS B   278   63.617   0.953   35.422   1.00   35.08   6       ATOM   4251   CD   LYS B   278   63.793   0.340   36.790   1.00   38.13   6       ATOM   4252   CE   LYS B   278   63.031   −0.950   37.108   1.00   39.29   6       ATOM   4253   NZ   LYS B   278   63.193   −1.103   38.612   1.00   44.44   7       ATOM   4254   N   MET B   279   62.625   2.256   32.594   1.00   33.66   7       ATOM   4255   CA   MET B   279   61.488   3.102   32.303   1.00   36.39   6       ATOM   4256   C   MET B   279   60.543   3.014   33.483   1.00   35.26   6       ATOM   4257   O   MET B   279   60.470   1.929   34.090   1.00   38.21   8       ATOM   4258   CB   MET B   279   60.797   2.708   30.965   1.00   38.06   6       ATOM   4259   CG   MET B   279   61.358   3.604   29.846   1.00   42.01   6       ATOM   4260   SD   MET B   279   61.219   2.888   28.222   1.00   48.77   16       ATOM   4261   CE   MET B   279   62.632   3.595   27.392   1.00   46.06   6       ATOM   4262   N   VAL B   280   59.853   4.082   33.859   1.00   34.69   7       ATOM   4263   CA   VAL B   280   58.937   4.046   34.991   1.00   37.86   6       ATOM   4264   C   VAL B   280   57.655   4.778   34.624   1.00   39.91   6       ATOM   4265   O   VAL B   280   57.722   5.842   33.971   1.00   39.57   8       ATOM   4266   CB   VAL B   280   59.605   4.627   36.262   1.00   40.03   6       ATOM   4267   CG1   VAL B   280   60.582   5.734   35.894   1.00   40.43   6       ATOM   4268   CG2   VAL B   280   58.595   5.132   37.286   1.00   41.28   6       ATOM   4269   N   GLU B   281   56.521   4.221   35.046   1.00   42.47   7       ATOM   4270   CA   GLU B   281   55.243   4.911   34.809   1.00   45.74   6       ATOM   4271   C   GLU B   281   54.973   5.919   35.910   1.00   47.07   6       ATOM   4272   O   GLU B   281   55.370   5.595   37.039   1.00   46.25   8       ATOM   4273   CB   GLU B   281   54.152   3.848   34.719   1.00   47.41   6       ATOM   4274   CG   GLU B   281   54.308   2.918   33.516   1.00   48.19   6       ATOM   4275   CD   GLU B   281   53.705   3.562   32.275   1.00   50.10   6       ATOM   4276   OE1   GLU B   281   52.718   4.312   32.460   1.00   51.21   8       ATOM   4277   OE2   GLU B   281   54.203   3.330   31.153   1.00   50.72   8       ATOM   4278   N   LEU B   282   54.358   7.077   35.662   1.00   49.43   7       ATOM   4279   CA   LEU B   282   54.144   8.043   36.731   1.00   52.69   6       ATOM   4280   C   LEU B   282   52.714   8.211   37.222   1.00   56.10   6       ATOM   4281   O   LEU B   282   51.741   8.259   36.479   1.00   57.86   8       ATOM   4282   CB   LEU B   282   54.654   9.413   36.232   1.00   51.33   6       ATOM   4283   CG   LEU B   282   56.153   9.442   35.898   1.00   51.16   6       ATOM   4284   CD1   LEU B   282   56.568   10.774   35.313   1.00   49.90   6       ATOM   4285   CD2   LEU B   282   56.959   9.109   37.146   1.00   50.87   6       ATOM   4286   N   ALA B   283   52.591   8.404   38.527   1.00   58.60   7       ATOM   4287   CA   ALA B   283   51.340   8.572   39.260   1.00   61.51   6       ATOM   4288   C   ALA B   283   50.222   7.659   38.748   1.00   62.69   6       ATOM   4289   O   ALA B   283   49.365   7.240   39.565   1.00   64.21   8       ATOM   4290   CB   ALA B   283   50.878   10.031   39.215   1.00   61.28                Water            ATOM   4303   O   WAT W   1   33.957   17.885   −21.689   1.00   20.48           ATOM   4304   O   WAT W   2   37.847   13.185   4.982   1.00   21.45           ATOM   4305   O   WAT W   3   63.980   −1.350   11.191   1.00   28.46           ATOM   4306   O   WAT W   4   56.095   −1.331   −2.328   1.00   33.26           ATOM   4307   O   WAT W   5   33.170   18.137   −24.293   1.00   23.96           ATOM   4308   O   WAT W   6   37.215   10.622   −2.497   1.00   25.23           ATOM   4309   O   WAT W   7   34.408   20.030   −20.099   1.00   22.90           ATOM   4310   O   WAT W   8   44.843   0.417   12.211   1.00   25.44           ATOM   4311   O   WAT W   9   32.057   20.794   −18.723   1.00   21.33           ATOM   4312   O   WAT W   10   39.891   15.086   5.128   1.00   21.17           ATOM   4313   O   WAT W   11   60.554   9.975   11.882   1.00   23.86           ATOM   4314   O   WAT W   12   47.956   16.767   16.754   1.00   25.70           ATOM   4315   O   WAT W   13   26.013   19.028   0.123   1.00   29.25           ATOM   4316   O   WAT W   14   41.289   15.802   −0.016   1.00   29.45           ATOM   4317   O   WAT W   15   26.238   26.828   −12.429   1.00   26.43           ATOM   4318   O   WAT W   16   42.677   −8.069   14.438   1.00   49.57           ATOM   4319   O   WAT W   17   44.205   −22.405   7.937   1.00   26.54           ATOM   4320   O   WAT W   18   41.204   15.438   2.596   1.00   28.73           ATOM   4321   O   WAT W   19   50.655   6.851   −9.161   1.00   28.82           ATOM   4322   O   WAT W   20   45.856   11.020   16.763   1.00   28.19           ATOM   4323   O   WAT W   21   56.240   9.146   22.228   1.00   29.25           ATOM   4324   O   WAT W   22   34.167   22.025   −17.131   1.00   24.52           ATOM   4325   O   WAT W   23   46.937   −3.706   12.756   1.00   34.74           ATOM   4326   O   WAT W   24   42.413   2.422   14.402   1.00   33.61           ATOM   4327   O   WAT W   25   41.229   −21.204   14.206   1.00   24.13           ATOM   4328   O   WAT W   26   41.221   12.093   −6.937   1.00   25.26           ATOM   4329   O   WAT W   27   24.372   15.958   −5.041   1.00   27.65           ATOM   4330   O   WAT W   28   35.615   −12.052   11.939   1.00   30.34           ATOM   4331   O   WAT W   29   37.895   12.192   −4.849   1.00   26.69           ATOM   4332   O   WAT W   30   52.106   20.252   −2.182   1.00   28.30           ATOM   4333   O   WAT W   31   68.369   9.094   44.468   1.00   25.44           ATOM   4334   O   WAT W   32   56.344   0.572   −4.129   1.00   43.47           ATOM   4335   O   WAT W   33   23.101   20.797   −4.005   1.00   36.59           ATOM   4336   O   WAT W   34   49.261   −5.331   2.868   1.00   26.99           ATOM   4337   O   WAT W   35   47.984   −9.414   25.007   1.00   26.83           ATOM   4338   O   WAT W   36   42.604   −1.487   5.352   1.00   30.62           ATOM   4339   O   WAT W   37   62.274   −5.597   10.141   1.00   27.42           ATOM   4340   O   WAT W   38   26.216   16.962   −12.131   1.00   28.51           ATOM   4341   O   WAT W   39   30.958   20.957   −10.945   1.00   28.67           ATOM   4342   O   WAT W   40   34.816   15.313   17.023   1.00   30.79           ATOM   4343   O   WAT W   41   49.918   15.022   17.578   1.00   28.50           ATOM   4344   O   WAT W   42   51.910   5.889   8.625   1.00   38.44           ATOM   4345   O   WAT W   43   62.846   −1.187   14.226   1.00   46.50           ATOM   4346   O   WAT W   44   25.403   26.593   −16.292   1.00   39.06           ATOM   4347   O   WAT W   45   30.520   20.301   5.385   1.00   32.49           ATOM   4348   O   WAT W   46   45.010   −17.167   2.635   1.00   34.22           ATOM   4349   O   WAT W   47   47.032   −2.770   5.031   1.00   22.23           ATOM   4350   O   WAT W   48   48.414   1.477   −5.713   1.00   29.51           ATOM   4351   O   WAT W   49   31.672   7.463   −13.621   1.00   36.04           ATOM   4352   O   WAT W   50   62.969   0.366   20.839   1.00   25.12           ATOM   4353   O   WAT W   51   52.181   16.341   18.209   1.00   33.67           ATOM   4354   O   WAT W   52   34.216   17.207   10.342   1.00   25.68           ATOM   4355   O   WAT W   53   52.739   13.392   −0.142   1.00   24.81           ATOM   4356   O   WAT W   54   48.513   −7.403   4.595   1.00   33.10           ATOM   4357   O   WAT W   55   50.165   3.786   7.424   1.00   31.96           ATOM   4358   O   WAT W   56   61.601   −10.884   −3.900   1.00   38.55           ATOM   4359   O   WAT W   57   40.862   −13.477   5.834   1.00   26.78           ATOM   4360   O   WAT W   58   73.540   −3.703   38.069   1.00   28.56           ATOM   4361   O   WAT W   59   53.267   18.858   −0.006   1.00   28.15           ATOM   4362   O   WAT W   60   47.896   −10.104   11.452   1.00   29.42           ATOM   4363   O   WAT W   61   32.210   13.233   −12.282   1.00   31.94           ATOM   4364   O   WAT W   62   48.007   11.908   18.269   1.00   37.69           ATOM   4365   O   WAT W   63   29.173   9.259   −17.716   1.00   30.38           ATOM   4366   O   WAT W   64   35.297   19.389   9.031   1.00   29.80           ATOM   4367   O   WAT W   65   40.504   2.299   −10.545   1.00   32.49           ATOM   4368   O   WAT W   66   41.958   −10.772   13.351   1.00   42.64           ATOM   4369   O   WAT W   67   36.143   16.525   −1.066   1.00   34.59           ATOM   4370   O   WAT W   68   62.385   −11.067   −1.312   1.00   33.16           ATOM   4371   O   WAT W   69   65.110   11.392   10.350   1.00   28.97           ATOM   4372   O   WAT W   70   63.427   −3.415   19.364   1.00   27.45           ATOM   4373   O   WAT W   71   68.617   14.525   33.511   1.00   37.55           ATOM   4374   O   WAT W   72   61.639   −4.893   17.918   1.00   24.98           ATOM   4375   O   WAT W   73   66.736   4.204   19.794   1.00   30.21           ATOM   4376   O   WAT W   74   55.982   12.796   22.001   1.00   36.21           ATOM   4377   O   WAT W   75   64.346   6.123   −5.386   1.00   40.37           ATOM   4378   O   WAT W   76   65.025   −2.313   32.956   1.00   37.41           ATOM   4379   O   WAT W   77   44.448   −0.359   −6.294   1.00   29.00           ATOM   4380   O   WAT W   78   48.675   −0.966   −4.566   1.00   35.26           ATOM   4381   O   WAT W   79   31.748   14.620   −27.469   1.00   30.01           ATOM   4382   O   WAT W   80   22.272   14.300   −4.370   1.00   33.41           ATOM   4383   O   WAT W   81   61.185   6.162   25.319   1.00   33.42           ATOM   4384   O   WAT W   82   25.793   11.693   −9.261   1.00   32.09           ATOM   4385   O   WAT W   83   44.087   16.403   −7.636   1.00   30.17           ATOM   4386   O   WAT W   84   42.576   −4.126   6.016   1.00   55.25           ATOM   4387   O   WAT W   85   68.891   7.733   20.798   1.00   37.85           ATOM   4388   O   WAT W   86   70.712   −5.611   41.295   1.00   34.04           ATOM   4389   O   WAT W   87   43.384   −22.647   14.391   1.00   41.78           ATOM   4390   O   WAT W   88   70.983   −8.966   9.646   1.00   33.63           ATOM   4391   O   WAT W   89   75.957   −17.895   11.852   1.00   47.71           ATOM   4392   O   WAT W   90   63.730   −0.759   18.432   1.00   34.78           ATOM   4393   O   WAT W   91   31.689   15.534   −14.467   1.00   32.23           ATOM   4394   O   WAT W   92   44.527   −11.830   12.755   1.00   34.17           ATOM   4395   O   WAT W   93   20.677   30.620   −24.626   1.00   31.71           ATOM   4396   O   WAT W   94   44.639   17.338   −10.200   1.00   34.48           ATOM   4397   O   WAT W   95   75.731   12.312   36.456   1.00   43.57           ATOM   4398   O   WAT W   96   44.412   10.904   19.269   1.00   42.19           ATOM   4399   O   WAT W   97   22.294   30.665   −27.831   1.00   34.67           ATOM   4400   O   WAT W   98   61.020   1.839   −4.047   1.00   32.70           ATOM   4401   O   WAT W   99   63.564   −3.241   9.033   1.00   26.37           ATOM   4402   O   WAT W   100   58.754   3.167   −4.838   1.00   32.36           ATOM   4403   O   WAT W   101   65.772   −9.474   4.700   1.00   28.90           ATOM   4404   O   WAT W   102   68.154   15.020   30.966   1.00   48.55           ATOM   4405   O   WAT W   103   69.423   3.142   26.541   1.00   37.38           ATOM   4406   O   WAT W   104   46.011   16.393   −32.096   1.00   35.12           ATOM   4407   O   WAT W   105   29.379   18.412   −31.086   1.00   39.01           ATOM   4408   O   WAT W   106   45.917   −11.276   10.149   1.00   27.62           ATOM   4409   O   WAT W   107   24.739   28.644   −17.280   1.00   32.77           ATOM   4410   O   WAT W   108   79.205   12.257   45.859   1.00   41.16           ATOM   4411   O   WAT W   109   73.058   −3.265   35.431   1.00   33.63           ATOM   4412   O   WAT W   110   46.854   −9.240   3.826   1.00   36.79           ATOM   4413   O   WAT W   111   25.850   9.001   −9.625   1.00   34.69           ATOM   4414   O   WAT W   112   62.047   8.655   0.423   1.00   33.56           ATOM   4415   O   WAT W   113   37.663   10.928   −18.842   1.00   34.05           ATOM   4416   O   WAT W   114   34.619   21.383   −14.295   1.00   30.74           ATOM   4417   O   WAT W   115   58.523   21.835   −8.875   1.00   37.34           ATOM   4418   O   WAT W   116   28.178   28.182   −10.656   1.00   43.64           ATOM   4419   O   WAT W   117   66.395   −3.417   24.653   1.00   32.24           ATOM   4420   O   WAT W   118   51.651   21.138   16.503   1.00   35.04           ATOM   4421   O   WAT W   119   46.184   −9.790   13.725   1.00   38.61           ATOM   4422   O   WAT W   120   77.317   −2.960   44.894   1.00   29.27           ATOM   4423   O   WAT W   121   53.189   17.937   10.605   1.00   29.73           ATOM   4424   O   WAT W   122   36.010   12.829   −10.679   1.00   33.47           ATOM   4425   O   WAT W   123   34.086   3.401   −11.327   1.00   50.83           ATOM   4426   O   WAT W   124   67.551   −6.941   −3.458   1.00   40.00           ATOM   4427   O   WAT W   125   22.839   14.210   −21.134   1.00   33.56           ATOM   4428   O   WAT W   126   46.144   1.450   −7.279   1.00   34.78           ATOM   4429   O   WAT W   127   44.101   21.525   16.698   1.00   39.31           ATOM   4430   O   WAT W   128   53.306   5.434   −16.838   1.00   54.57           ATOM   4431   O   WAT W   129   50.250   1.205   22.740   1.00   28.98           ATOM   4432   O   WAT W   130   26.485   19.155   −29.949   1.00   29.98           ATOM   4433   O   WAT W   131   24.707   18.542   −27.822   1.00   37.35           ATOM   4434   O   WAT W   132   67.710   5.567   21.896   1.00   29.04           ATOM   4435   O   WAT W   133   45.674   −4.032   19.840   1.00   36.16           ATOM   4436   O   WAT W   134   24.220   25.124   −21.068   1.00   34.59           ATOM   4437   O   WAT W   135   61.598   17.680   13.540   1.00   42.71           ATOM   4438   O   WAT W   136   49.468   −7.110   25.310   1.00   38.94           ATOM   4439   O   WAT W   137   66.911   11.234   12.429   1.00   37.05           ATOM   4440   O   WAT W   138   57.148   2.737   30.896   1.00   48.38           ATOM   4441   O   WAT W   139   34.489   9.771   −18.467   1.00   30.91           ATOM   4442   O   WAT W   140   32.760   21.132   4.304   1.00   29.66           ATOM   4443   O   WAT W   141   49.857   −2.000   −1.297   1.00   39.89           ATOM   4444   O   WAT W   142   54.890   −1.411   27.207   1.00   47.87           ATOM   4445   O   WAT W   143   64.172   15.675   32.993   1.00   36.07           ATOM   4446   O   WAT W   144   55.868   −7.470   −4.555   1.00   42.27           ATOM   4447   O   WAT W   145   44.776   21.855   −19.009   1.00   46.18           ATOM   4448   O   WAT N   146   81.842   9.124   42.112   1.00   41.17           ATOM   4449   O   WAT W   147   65.891   12.184   46.900   1.00   41.27           ATOM   4450   O   WAT W   148   61.870   −0.694   32.618   1.00   36.54           ATOM   4451   O   WAT W   149   53.665   −22.423   14.114   1.00   45.13           ATOM   4452   O   WAT W   150   70.406   −11.509   9.153   1.00   39.16           ATOM   4453   O   WAT W   151   57.272   24.770   −5.465   1.00   53.97           ATOM   4454   O   WAT W   152   76.932   13.052   43.714   1.00   34.28           ATOM   4455   O   WAT W   153   46.722   −10.271   21.629   1.00   39.60           ATOM   4456   O   WAT W   154   71.871   −14.779   14.884   1.00   41.12           ATOM   4457   O   WAT W   155   75.221   −2.490   33.675   1.00   36.01           ATOM   4458   O   WAT W   156   79.538   8.216   41.312   1.00   39.15           ATOM   4459   O   WAT W   157   37.416   −3.706   5.762   1.00   38.40           ATOM   4460   O   WAT W   158   35.517   15.310   19.620   1.00   36.39           ATOM   4461   O   WAT W   159   51.237   5.731   5.785   1.00   34.79           ATOM   4462   O   WAT W   160   51.381   −1.632   26.211   1.00   44.45           ATOM   4453   O   WAT W   161   43.466   16.232   −32.007   1.00   52.60           ATOM   4464   O   WAT W   162   75.662   12.257   40.222   1.00   38.37           ATOM   4465   O   WAT W   163   32.057   −13.026   10.708   1.00   39.45           ATOM   4466   O   WAT W   164   44.346   0.072   6.468   1.00   36.40           ATOM   4467   O   WAT W   165   52.324   −2.560   −1.704   1.00   46.60           ATOM   4468   O   WAT W   166   57.861   8.649   −15.458   1.00   41.61           ATOM   4469   O   WAT W   167   67.132   −5.044   15.257   1.00   40.23           ATOM   4470   O   WAT W   168   59.264   −1.197   31.588   1.00   51.30           ATOM   4471   O   WAT W   169   51.835   3.346   23.021   1.00   39.67           ATOM   4472   O   WAT W   170   57.419   −5.177   −4.443   1.00   35.72           ATOM   4473   O   WAT W   171   48.627   11.775   20.770   1.00   47.02           ATOM   4474   O   WAT W   172   64.778   −5.263   25.321   1.00   34.04           ATOM   4475   O   WAT W   173   21.644   11.926   −2.423   1.00   35.54           ATOM   4476   O   WAT W   174   40.345   0.581   13.671   1.00   59.11           ATOM   4477   O   WAT W   175   65.019   −5.440   32.798   1.00   40.87           ATOM   4478   O   WAT W   176   44.228   −7.202   4.474   1.00   39.61           ATOM   4479   O   WAT W   177   83.719   10.000   40.277   1.00   42.80           ATOM   4480   O   WAT W   178   68.408   −7.591   −0.478   1.00   38.18           ATOM   4481   O   WAT W   179   63.973   −9.992   −4.755   1.00   51.42           ATOM   4482   O   WAT W   180   39.726   7.902   −27.189   1.00   49.92           ATOM   4483   O   WAT W   181   55.044   0.850   −6.811   1.00   51.09           ATOM   4484   O   WAT W   182   25.424   1.610   −6.315   1.00   30.30           ATOM   4485   O   WAT W   183   25.655   20.392   −3.870   1.00   43.57           ATOM   4486   O   WAT W   184   43.760   −10.333   15.054   1.00   39.92           ATOM   4487   O   WAT W   185   46.383   19.180   −9.597   1.00   33.30           ATOM   4488   O   WAT W   186   57.924   9.404   −18.120   1.00   44.22           ATOM   4489   O   WAT W   187   58.234   −16.451   0.308   1.00   36.17           ATOM   4490   O   WAT W   188   38.059   −19.859   11.817   1.00   32.02           ATOM   4491   O   WAT W   189   42.349   23.603   0.069   1.00   55.22           ATOM   4492   O   WAT W   190   62.117   0.301   41.059   1.00   47.46           ATOM   4493   O   WAT W   191   39.146   34.096   6.333   1.00   35.61           ATOM   4494   O   WAT W   192   52.021   −17.641   1.723   1.00   36.52           ATOM   4495   O   WAT W   193   30.405   15.315   −12.140   1.00   40.90           ATOM   4496   O   WAT W   194   56.589   6.376   −25.137   1.00   50.29           ATOM   4497   O   WAT W   195   32.292   21.747   −31.418   1.00   30.10           ATOM   4498   O   WAT W   196   25.932   26.262   −31.876   1.00   33.19           ATOM   4499   O   WAT W   197   44.253   27.169   0.607   1.00   41.25           ATOM   4500   O   WAT W   198   31.985   18.702   10.898   1.00   43.36           ATOM   4501   O   WAT W   199   66.104   14.551   9.666   1.00   42.15           ATOM   4502   O   WAT W   200   65.400   14.447   48.384   1.00   54.11           ATOM   4503   O   WAT W   201   23.164   26.745   −32.350   1.00   43.78           ATOM   4504   O   WAT W   202   36.449   −19.529   9.775   1.00   56.52           ATOM   4505   O   WAT W   203   37.955   9.830   −30.717   1.00   42.18           ATOM   4506   O   WAT W   204   80.612   −6.612   30.354   1.00   58.09           ATOM   4507   O   WAT W   205   42.193   −5.177   3.641   1.00   53.40           ATOM   4508   O   WAT W   206   34.846   19.253   −0.441   1.00   43.51           ATOM   4509   O   WAT W   207   55.615   −2.982   −4.231   1.00   46.41           ATOM   4510   O   WAT W   208   51.625   4.220   −8.519   1.00   45.10           ATOM   4511   O   WAT W   209   25.739   8.524   −24.942   1.00   36.13           ATOM   4512   O   WAT W   210   68.747   17.314   21.066   1.00   43.56           ATOM   4513   O   WAT W   211   84.666   3.989   47.339   1.00   56.35           ATOM   4514   O   WAT W   212   39.125   28.472   0.851   1.00   43.49           ATOM   4515   O   WAT W   213   40.758   −6.436   1.126   1.00   43.08           ATOM   4516   O   WAT W   214   65.742   −7.673   25.260   1.00   39.84           ATOM   4517   O   WAT W   215   68.113   −7.014   26.268   1.00   44.06           ATOM   4518   O   WAT W   216   50.292   24.666   −37.803   1.00   47.27           ATOM   4519   O   WAT W   217   76.215   −4.709   32.421   1.00   35.98           ATOM   4520   O   WAT W   218   28.732   31.945   −22.056   1.00   33.29           ATOM   4521   O   WAT W   219   74.218   14.100   34.912   1.00   76.11           ATOM   4522   O   WAT W   220   57.961   0.451   28.074   1.00   47.45           ATOM   4523   O   WAT W   221   32.590   10.932   −11.111   1.00   49.96           ATOM   4524   O   WAT W   222   51.203   −19.722   11.498   1.00   41.52           ATOM   4525   O   WAT W   223   55.448   −14.143   −4.633   1.00   36.90           ATOM   4526   O   WAT W   224   21.981   23.670   −26.954   1.00   35.03           ATOM   4527   O   WAT W   225   38.572   −13.668   7.579   1.00   39.66           ATOM   4528   O   WAT W   226   56.707   −16.581   26.316   1.00   35.78           ATOM   4529   O   WAT W   227   70.225   2.519   46.317   1.00   45.99           ATOM   4530   O   WAT W   228   36.498   21.585   14.126   1.00   33.98           ATOM   4531   O   WAT W   229   61.790   −13.520   −4.514   1.00   50.15           ATOM   4532   O   WAT W   230   64.989   −1.584   30.303   1.00   36.47           ATOM   4533   O   WAT W   231   38.229   27.188   10.218   1.00   45.56           ATOM   4534   O   WAT W   232   67.835   −7.729   5.083   1.00   34.03           ATOM   4535   O   WAT W   233   45.674   22.663   18.801   1.00   65.84           ATOM   4536   O   WAT W   234   43.579   −5.428   17.882   1.00   43.49           ATOM   4537   O   WAT W   235   64.221   5.067   46.860   1.00   41.97           ATOM   4538   O   WAT W   236   72.469   18.804   43.000   1.00   36.08           ATOM   4539   O   WAT W   237   43.180   3.609   16.574   1.00   59.75           ATOM   4540   O   WAT W   238   34.121   16.290   −13.499   1.00   46.11           ATOM   4541   O   WAT W   239   62.037   17.693   20.122   1.00   50.69           ATOM   4542   O   WAT W   240   37.376   10.472   −16.234   1.00   45.81           ATOM   4543   O   WAT W   241   26.431   22.009   −0.233   1.00   46.92           ATOM   4544   O   WAT W   242   25.310   12.750   −11.978   1.00   50.59           ATOM   4545   O   WAT W   243   19.671   9.916   −3.708   1.00   49.70           ATOM   4546   O   WAT W   244   38.186   21.703   16.967   1.00   35.43           ATOM   4547   O   WAT W   245   40.977   −0.520   −8.992   1.00   51.53           ATOM   4548   O   WAT W   246   17.264   17.138   1.436   1.00   65.65           ATOM   4549   O   WAT W   247   59.212   −16.788   −2.401   1.00   43.21           ATOM   4550   O   WAT W   248   77.330   −11.434   7.852   1.00   51.89           ATOM   4551   O   WAT W   249   22.908   25.131   −34.628   1.00   44.65           ATOM   4552   O   WAT W   250   37.272   2.059   20.950   1.00   42.62           ATOM   4553   O   WAT W   251   78.365   −12.406   10.087   1.00   55.28           ATOM   4554   O   WAT W   252   31.173   17.182   −10.252   1.00   47.60           ATOM   4555   O   WAT W   253   48.516   −12.376   −1.883   1.00   33.36           ATOM   4556   O   WAT W   254   43.940   18.919   −6.022   1.00   54.48           ATOM   4557   O   WAT W   255   30.610   3.062   18.104   1.00   46.62           ATOM   4558   O   WAT W   256   72.364   2.032   11.881   1.00   60.78           ATOM   4559   O   WAT W   257   36.491   −6.172   6.630   1.00   48.36           ATOM   4560   O   WAT W   258   65.789   −10.191   31.731   1.00   42.15           ATOM   4561   O   WAT W   259   59.438   15.957   21.720   1.00   40.75           ATOM   4562   O   WAT W   260   31.766   20.345   7.940   1.00   41.46           ATOM   4563   O   WAT W   261   38.175   22.668   9.740   1.00   36.51           ATOM   4564   O   WAT W   262   69.731   20.766   33.855   1.00   45.16           ATOM   4565   O   WAT W   263   25.834   32.385   −27.930   1.00   39.41           ATOM   4566   O   WAT W   264   70.140   −4.383   3.316   1.00   42.01           ATOM   4567   O   WAT W   265   17.686   28.637   −27.597   1.00   36.50           ATOM   4568   O   WAT W   266   30.498   10.397   17.979   1.00   38.49           ATOM   4569   O   WAT W   267   41.552   17.448   −14.793   1.00   45.70           ATOM   4570   O   WAT W   268   43.965   −4.267   15.684   1.00   47.33           ATOM   4571   O   WAT W   269   24.247   23.631   −0.377   1.00   52.61           ATOM   4572   O   WAT W   270   39.439   16.949   −2.045   1.00   40.49           ATOM   4573   O   WAT W   271   49.374   23.294   3.413   1.00   46.56           ATOM   4574   O   WAT W   272   39.872   8.421   −18.197   1.00   45.41           ATOM   4575   O   WAT W   273   46.466   −1.275   7.239   1.00   47.88           ATOM   4576   O   WAT W   274   29.019   38.205   −20.300   1.00   61.46           ATOM   4577   O   WAT W   275   69.375   1.409   13.444   1.00   43.48           ATOM   4578   O   WAT W   276   72.207   3.732   29.386   1.00   40.43           ATOM   4579   O   WAT W   277   39.712   37.170   0.051   1.00   39.08           ATOM   4580   O   WAT W   278   48.094   −1.929   10.639   1.00   35.23           ATOM   4581   O   WAT W   279   46.176   −0.007   10.070   1.00   57.82           ATOM   4582   O   WAT W   230   34.060   14.226   −7.694   1.00   47.69           ATOM   4583   O   WAT W   281   66.985   −1.458   15.223   1.00   40.31           ATOM   4584   O   WAT W   282   69.909   −11.226   6.382   1.00   54.99           ATOM   4585   O   WAT W   283   27.681   22.895   8.733   1.00   41.91           ATOM   4586   O   WAT W   284   44.274   −3.092   9.331   1.00   47.80           ATOM   4587   O   WAT W   285   35.726   14.777   −5.459   1.00   63.96           ATOM   4588   O   WAT W   286   36.355   13.676   −2.214   1.00   51.47           ATOM   4589   O   WAT W   287   45.262   7.207   17.415   1.00   54.68           ATOM   4590   O   WAT W   288   68.185   20.756   43.230   1.00   51.92           ATOM   4591   O   WAT W   289   61.045   16.189   10.892   1.00   47.39           ATOM   4592   O   WAT W   290   37.948   29.641   −14.217   1.00   51.54           ATOM   4593   O   WAT W   291   25.752   1.732   16.571   1.00   50.52           ATOM   4594   O   WAT W   292   21.651   4.509   5.878   1.00   55.37           ATOM   4595   O   WAT W   293   57.826   3.992   44.663   1.00   46.21           ATOM   4596   O   WAT W   294   66.103   19.731   40.130   1.00   39.58           ATOM   4597   O   WAT W   295   46.479   4.707   17.542   1.00   44.15           ATOM   4598   O   WAT W   296   71.219   −3.422   0.474   1.00   42.17           ATOM   4599   O   WAT W   297   39.881   2.904   14.591   1.00   39.80           ATOM   4600   O   WAT W   298   56.543   16.797   18.584   1.00   46.72           ATOM   4601   O   WAT W   299   61.789   −18.999   2.206   1.00   57.02           ATOM   4602   O   WAT W   300   42.705   10.878   −13.312   1.00   41.71           ATOM   4603   O   WAT W   301   69.432   7.509   6.399   1.00   56.46           ATOM   4604   O   WAT W   302   50.399   1.771   −8.208   1.00   46.36           ATOM   4605   O   WAT W   303   80.707   8.597   32.436   1.00   57.84           ATOM   4606   O   WAT W   304   35.950   −3.190   −6.617   1.00   47.01           ATOM   4607   O   WAT W   305   63.191   13.663   10.338   1.00   47.69           ATOM   4608   O   WAT W   306   32.746   17.045   16.882   1.00   38.37           ATOM   4609   O   WAT W   307   55.795   22.081   −3.121   1.00   45.39           ATOM   4610   O   WAT W   308   52.917   −15.266   −5.084   1.00   58.04           ATOM   4611   O   WAT W   309   32.990   20.281   −2.705   1.00   41.15           ATOM   4612   O   WAT W   310   65.221   −0.521   13.373   1.00   50.04           ATOM   4613   O   WAT W   311   31.445   8.146   −16.640   1.00   47.12           ATOM   4614   O   WAT W   312   70.526   −1.084   −1.047   1.00   43.90           ATOM   4615   O   WAT W   313   67.588   −6.363   21.900   1.00   57.15           ATOM   4616   O   WAT W   314   66.096   −4.686   20.242   1.00   69.24           ATOM   4617   O   WAT W   315   47.292   23.337   13.967   1.00   42.45           ATOM   4618   O   WAT W   316   77.697   −6.690   46.864   1.00   61.61           ATOM   4619   O   WAT W   317   57.134   18.189   −19.802   1.00   61.48           ATOM   4620   O   WAT W   318   56.615   6.099   −16.259   1.00   55.28           ATOM   4621   O   WAT W   319   70.759   17.127   50.284   1.00   46.60           ATOM   4622   O   WAT W   320   72.021   −17.283   5.694   1.00   53.07           ATOM   4623   O   WAT W   321   23.729   4.269   −4.449   1.00   58.06           ATOM   4624   O   WAT W   322   22.138   20.117   −24.492   1.00   37.83           ATOM   4625   O   WAT W   323   40.526   13.448   −0.063   1.00   54.95           ATOM   4626   O   WAT W   324   28.034   −4.586   23.421   1.00   50.98           ATOM   4627   O   WAT W   325   38.920   16.623   −33.391   1.00   53.48           ATOM   4628   O   WAT W   326   77.040   −7.476   27.616   1.00   73.56           ATOM   4629   O   WAT W   327   68.678   −0.075   28.998   1.00   51.90           ATOM   4630   O   WAT W   328   46.505   7.743   −11.664   1.00   43.38           ATOM   4631   O   WAT W   329   43.657   18.299   −3.514   1.00   20.00           ATOM   4632   O   WAT W   330   40.596   13.269   −4.354   1.00   20.00           ATOM   4633   O   WAT W   331   66.428   −1.404   17.847   1.00   20.00           ATOM   4634   O   WAT W   332   41.584   19.897   −1.703   1.00   20.00           ATOM   4635   O   WAT W   333   41.694   22.971   −4.274   1.00   20.00           ATOM   4636   O   WAT W   334   67.997   3.764   15.541   1.00   20.00           ATOM   4637   O   WAT W   335   60.537   18.286   2.068   1.00   20.00           ATOM   4638   O   WAT W   336   56.447   20.428   10.716   1.00   20.00           ATOM   4639   O   WAT W   337   55.557   22.546   9.246   1.00   20.00           ATOM   4640   O   WAT W   338   58.179   16.183   −0.749   1.00   20.00           ATOM   4641   O   WAT W   339   58.887   16.112   −3.916   1.00   20.00           ATOM   4642   O   WAT W   340   63.509   11.351   2.806   1.00   20.00           ATOM   4643   O   WAT W   341   62.716   14.296   1.151   1.00   20.00           ATOM   4644   O   WAT W   342   39.563   −4.272   12.971   1.00   20.00           ATOM   4645   O   WAT W   343   39.743   −6.346   11.592   1.00   20.00           ATOM   4646   O   WAT W   344   44.345   −8.782   9.232   1.00   20.00           ATOM   4647   O   WAT W   345   38.126   −6.949   4.925   1.00   20.00           ATOM   4648   O   WAT W   346   41.558   −9.568   2.423   1.00   20.00           ATOM   4649   O   WAT W   347   46.133   −8.864   −1.132   1.00   20.00           ATOM   4650   O   WAT W   348   42.431   12.582   19.513   1.00   20.00           ATOM   4651   O   WAT W   349   39.817   3.709   21.589   1.00   20.00           ATOM   4652   O   WAT W   350   40.535   5.544   20.119   1.00   20.00           ATOM   4653   O   WAT W   351   41.467   8.090   20.981   1.00   20.00           ATOM   4654   O   WAT W   352   61.469   16.879   −5.628   1.00   20.00           ATOM   4655   O   WAT W   353   57.522   13.280   −9.676   1.00   20.00           ATOM   4656   O   WAT W   354   57.275   9.042   −5.426   1.00   20.00           ATOM   4657   O   WAT W   355   59.327   5.417   −6.085   1.00   20.00           ATOM   4658   O   WAT W   356   52.962   −4.323   −3.179   1.00   20.00           ATOM   4659   O   WAT W   357   36.344   −8.909   7.979   1.00   20.00           ATOM   4660   O   WAT W   358   42.391   30.320   −15.418   1.00   20.00           ATOM   4661   O   WAT W   359   52.354   18.876   −21.657   1.00   20.00           ATOM   4662   O   WAT W   360   85.510   2.059   39.934   1.00   20.00           ATOM   4663   O   WAT W   361   86.895   4.068   37.822   1.00   20.00           ATOM   4664   O   WAT W   362   81.610   8.015   30.106   1.00   20.00           ATOM   4665   O   WAT W   363   81.600   7.773   49.392   1.00   20.00           ATOM   4666   O   WAT W   364   76.414   9.988   52.505   1.00   20.00           ATOM   4667   O   WAT W   365   67.897   8.778   49.346   1.00   20.00           ATOM   4668   O   WAT W   366   63.858   2.436   46.800   1.00   20.00           ATOM   4669   O   WAT W   367   71.953   1.096   48.138   1.00   20.00           ATOM   4670   O   WAT W   368   89.873   −11.648   35.808   1.00   20.00           ATOM   4671   O   WAT W   369   88.460   −12.813   38.004   1.00   20.00           ATOM   4672   O   WAT W   370   91.761   −9.669   35.928   1.00   20.00           ATOM   4673   O   WAT W   371   88.580   −15.367   38.475   1.00   20.00           ATOM   4674   O   WAT W   372   76.861   −9.543   44.348   1.00   20.00           ATOM   4675   O   WAT W   373   74.471   −6.743   45.210   1.00   20.00           ATOM   4676   O   WAT W   374   79.402   −2.424   46.754   1.00   20.00           ATOM   4677   O   WAT W   375   75.647   −0.122   49.778   1.00   20.00           ATOM   4678   O   WAT W   376   77.752   1.584   49.411   1.00   20.00           ATOM   4679   O   WAT W   377   37.468   −4.589   21.373   1.00   20.00           ATOM   4680   O   WAT W   378   45.334   −7.735   21.716   1.00   20.00           ATOM   4681   O   WAT W   379   46.136   −5.299   22.588   1.00   20.00           ATOM   4682   O   WAT W   380   43.144   −7.232   20.423   1.00   20.00           ATOM   4683   O   WAT W   381   42.129   −4.775   20.988   1.00   20.00           ATOM   4684   O   WAT W   382   47.659   −14.000   24.499   1.00   20.00           ATOM   4685   O   WAT W   383   41.892   −6.834   15.632   1.00   20.00           ATOM   4686   O   WAT W   384   42.961   −8.398   13.868   1.00   20.00                  
 
         [0142]    [0142]                                                                         TABLE 2                           Composition of defined minimal culture medium for       selenium-containing PS. All components were filter-sterilized       through 0.22 μm filters, except where indicated.            Compound   Stock conc.   Volume   Comments                    M9 medium a     1       250 ml   Autoclaved.       MgSO 4     1   M   250 μ1   Ausoclaved separately from M9 medium to avoid                       precipitation.       D-glucose   4%   w/v    25 ml   Not autoclaved, since that caused glucose to                       caramelize (yellow colour); filter sterilized instead.       Thiamine   0.5%   w/v    25 μl   Prepared stock and stored at −20° C.; since repeated                       cycles of freeze and thaw do not damage it.       FeSO 4     4.2   g/l   250 μl   Prepared stock and stored at −20° C. to present                       oxidation.       Ampicillin   100   mg/ml   250 μl   Filter sterilized and stored as aliquots - cycles of                       freeze and thaw were avoided.       IPTG   70   mg/ml   250 μl       L-arginine   2.53%   w/v    5 ml   Supplemented for AT1371 deficiency; prepared                       together as single stock.       L-histidine   0.31%   w/v       L-proline   4.6%   w/v       Adenine   1.35%   w/v       L-lysine   12.5   g/l    2 ml   Cocktail for methionine pathway inhibition; prepared       L-phenylalanine   12.5   g/l       as one stock. Final concentrations were 100 and       L-threonine   12.5   g/l       50 mg/l respectively.       L-isoleucine   6.25   g/l       L-leucine   6.25   g/l       L-valine   6.25   g/l            L-seleno-methionine   Final conc: 50 mg/l   —   No need to sterilise, to minimise risk of oxidation.                   Dissolved in water directly in bottle in which                   supplied, then added.                            
         [0143]    [0143]                                                       TABLE 3                           Crystallographic refinement               No. reflexions (test set)   77 294 (4062)   Test set is excluded from refinement for cross-validation       No. restraints   15 730   Restraints in TNT with a weight assigned       No. parameters   20 236       Weight for geom. restraints (TNT)         3       Final model parameters       Residues         566       Hetero         1 Tris. 2 ethanediol       No water molecules         622       No. non-hydrogen atoms         5059       Resolution range (Å)         45-1.7       Refinement convergence            R free               24.9   R factor  calculated using test reflexions       F factor               22.6   R facotr  =Σ h ||F obs | − |F calc ||/               Σ h |F obs |,w/o test reflexions.       DDQ (score, ranking)   UFO         0.71 (bottom 25%)   “Unassigned positive Feature left-Over score”           DDQ-R         15.2 (bottom 25%)   Ratio of Shift and Water peak contributions.       Average B-factor,   subunit A (Å 2 )         33.9           subunit B (Å 2 )         36.4           waters (Å 2 )         47.8       Wilson distribution   B factor  (Å 2)           28.0       Model quality            Ramachandran plot   % residues in most favoured region   92.2           % residues in generously-allowed region    7.4           No. residues in disallowed region    0       Rms deviation from ideal   Covalent bond lengths (Å)    0.018       (“root mean square”)   Bond angles (°)    1.41           Planar groups (Å)    0.007       Procheck criteria   % bond lengths outside expected limits    2.6           % bond angles outside expected limits    3.1           % planar groups outside expected limits    1.0       WhatCheck criteria   No. unsaturated H-bonds    2           No. residues in unusual environments   14