Crystal structure

Information

  • Patent Grant
  • 6484103
  • Patent Number
    6,484,103
  • Date Filed
    Monday, September 11, 2000
    24 years ago
  • Date Issued
    Tuesday, November 19, 2002
    22 years ago
Abstract
A crystal of pantothenate synthetase (PS) has a monoclinic space group P21 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




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




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.




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.




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.




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.




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.




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




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.




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.




In a second aspect, the invention also provides a crystal of PS having the three dimensional atomic coordinates of Table 1.




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.




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.




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




In a fourth aspect, the present invention provides a method for identifying a potential inhibitor of PS comprising the steps of:




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




b. identifying the potential inhibitor by designing or selecting a compound for interaction with the active site.




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.




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.




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.




More specifically, a potential modulator of PS activity can be examined through the use of computer modelling using a docking program such as GRAM, DOCK, or AUTODOCK (see Walters et al.,


Drug Discovery Today


, Vol.3, No.4, (1998), 160-178, and Dunbrack et al.,


Folding and Design


, 2, (1997), 27-42) 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.




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)n—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.




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.




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.




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




c. obtaining or synthesising the potential inhibitor; and




d. contacting the potential inhibitor with PS to determine the ability of the potential inhibitor to interact with PS.




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.




Instead of, or in addition to, performing e.g. a chemical assay, the method may comprise the further steps of:




c. obtaining or synthesising said potential inhibitor;




d. forming a complex of PS and said potential inhibitor; and




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.




In a fifth aspect, the invention includes a compound which is identified as an inhibitor of PS by the method of the fourth aspect.




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 subdomain 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.




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.




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.




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.




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.




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.




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.




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.




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.




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 RAM or means for accessing computer readable media of the sixth aspect of the invention.











BRIEF DESCRIPTION OF THE DRAWINGS





FIG. 1

shows schematically the pathway for the synthesis of pantothenic acid,





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,





FIG. 3

is a stereo pair of images showing schematically the core of the dimerisation interface, and





FIG. 4

shows a Connolly surface generated around the proposed PS active site.











DETAILED DESCRIPTION OF THE INVENTION




The present invention is founded on the determination of the three dimensional atomic structure of PS.




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.




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 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.




PS Structural Characterization




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.




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. 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.




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 dimerisation region is crystallographically packed tightly against this region and that the disordered seen in B is more realistic for the apo-enzyme in vivo.




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.




Solving the PS Crystal Structure




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.




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.




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.




1. Production and Purification of PS




Native PS




DNA encoding the PanC gene was engineered into a pUC19 expression vector.


E. coil


cells were transformed using the plasmid.




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 at −80° C.




Selenomethionine PS




The same


E. coli


strain was used as for native expression, but the methionine pathway inhibition system (see van Duyne 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.




Purification




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).




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 removed by centrifugation (30 minutes, 15000×g). The solution was dialysed overnight against TD buffer (at least 21).




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.




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).




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.




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 (220-300nm) 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.




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.




2. Preparation of Crystals




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 pH8. 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.




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).




Crystals of PS were cryo-protected using a protocol of gradual soaking in the cryo-protectant, glycerol. A crystal was placed in 20μl of crystallisation solution, and the concentration of glycerol is gradually increased to 28% (v/v) in 4% increments.




3. Structural Determination




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.




Terminal radiation-induced diffraction decay was evident in the first crystal to be exposed, which influenced data collection from the second, final SeMet crystal.




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 Crystallographica


, D50, (1994), 760-763).




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 CCP4 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.




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 O, and the selenium atoms identified using SHARP providing guidance for chain-tracing.




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).




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 0. 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.




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.




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.,


Acta 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.




Identification of Likely Active Sites




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.




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.




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.




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 of 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.





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


μ1




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.




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).




Structure-Based Drug Design




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.




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.




As a result of the determination of the PS 3D structure, more purely computational techniques for rational drug 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.




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.




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.




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.




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.




References




The references listed below are incorporated by reference.




Barker et al.,


FEBS Letters


, 145, (1982), 191-193.




Bohacek et al.,


Medicinal Research Reviews


, Vol.16, (1996), 3-50.




Brick et al.,


J. of Molecular Biology


, 208, (1989), 83-98.




Bricogne,


Methods in Enzymology


, 276, (1997), 361-423.




Brunger et al.,


Acta Crystallographica


, D54, (1998), 905-921.




Blundell et al., in


Protein Crystallography


, Academic Press, New York, London and San Francisco, (1976).




Collaborative Computational Project 4. The CCP4 Suite: Programs for Protein Crystallography,


Acta Crystallographica


, D50, (1994), 760-763.




Dunbrack et al.,


Folding and Design


, 2, (1997), 27-42.




First et al., in


Biochemistry


, 32, (1993), 13644-13663.




Goodford,


J. Med. Chem


., 28, (1985), 849-857.




Greer et al.,


J. of Medicinal Chemistry


, Vol. 37, (1994), 1035-1054.




Hooft et al.,


Nature


, 381, (1996), 272.




Izard et al.,


EMBO Journal


, 18, (1999), 2021-2030.




Jones et al.,


Acta Crystallograhy


, A47, (1991), 110-119.




Jones et al. in


Current Opinion in Biotechnology


, Vol.6, (1995), 652-656.




Kleywegt et al., OOPS-a-daisy,


CCP


4


/ESF


-


EACBM Newsletter on Protein Crystallography


, 30, (1994), 20-24.




Kleywegt et al.,


Acta Crystallographica


, D52, (1996b), 826-828.




LaFortelle et al.,


Methods in Enzymology


, 276, (1997), 472-494.




LaFortelle et al., Maximum Likelihood Refinement in a Graphical environment, with SHARP, in CCP4 study week-end:


Recent Advances in Phasing


, ed. Wilson et al., Daresbury Laboratory, UK.




Leslie,


Joint CCP


4


and EESF


-


EACMB Newsletter on Protein Crystallography


, Vol.26, Daresbury Laboratory, UK.




Laskowski et al.,


J. Applied Crystallography


, 26, (1993), 283-291.




Mechulam et al.,


J. of Molecular Biology


, 294, (1999), 1287-1297.




Miyatake et. al,


J. Biochem


., 79, (1976), 673-678.




Murshudov et al.,


Acta Crystallographica


, D53, (1997), 24-255.




Nureki et al.,


Science


, 267, (1995) 1958-1965.




Perona et al.,


Biochemistry


, 32, (1993) 8758-8771.




Perrakis et al.,


Acta Crystallographica


, D55, (1999), 1765-1770.




Read, Acta Crystallographica, A42, (1986), 140-149.




Sayle et al.,


TIBS


, Vol. 20, (1995), 374.




Shuker et al.,


Science


, 274, (1996), 1531-1534.




Stout et al.,


Structure


, 6, (1998), 839-848.




Tronrud,


Methods in Enzymology


, 277, (1997),


306-319. van den Akker et al.,




Acta Crystallographica


, D55, (1999), 206-218.




van Duyne et al.,


J. Mol. Biol


., 229, (1993), 105-124.




Verlinde et al.,


J. of Computer


-


Aided Molecular Design


, 6, (1992), 131-147.




Walters et al.,


Drug Discovery Today


, Vol.3, No.4, (1998), 160-178.




Weber et al.,


Structure with Folding and Design


, 7, (1999), 1113-1124.




Weeks et al.,


J. of Applied Crystallography


, 32, (1999), 120-124.












TABLE 1











REMARK Written by O version 6.2.1






REMARK Sun Dec 19 17:28:32 1999






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0.000000




0.00000






ORIGX2




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0.000000




0.00000






ORIGX3




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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




7






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




18




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




48.588




−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




26.87




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




7






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




7






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




7






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.B87




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




28




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






ATON




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




29.980




−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




1.06




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




43.072




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




24.44




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




20.8D0




3.202




1.00




33.22




6






ATOM




474




C




GLN




A




61




45.492




22.174




2.780




1.00




35.82




6






ATON




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




GLN




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




PRG




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




23.808




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






ATON




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




OD1




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




8






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




26.28




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




30.66




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




7






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




6






ATOM




916




C




THR




A




116




55.854




19.345




−6.870




1.00




33.28




6






ATOM




917




O




THR




A




116




56.516




20.337




−7.260




1.00




37.48




8






ATOM




918




CB




THR




A




116




57.318




19.018




−4.839




1.00




31.68




6






ATOM




919




OG1




THR




A




116




58.066




17.923




−5.419




1.00




33.81




8






ATOM




920




CG2




THR




A




116




57.348




18.863




−3.344




1.00




30.91




6






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




48.255




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




128




56.526




17.872




4.699




1.00




36.93




6






ATOM




1013




NH1




ARG




A




128




56.631




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




1886




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




CG1




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




1B3




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




−21.647




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




11.053




−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




−27.833




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




SEP




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




−30.886




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




CD




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




48.26




6






ATOM




1687




O




GLU




A




219




52.403




9.484




−29.530




1.00




48.86




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




1804




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




6






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




8






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




13.587




−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




56.716




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




32.20




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




29.03




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




30.89




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




276




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




S






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




68.25




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




CB




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




6.718




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




20.36




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




11.546




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




55.816




−6.890




13.487




1.00




19.40




6






ATOM




2390




CD1




LEU




B




26




56.464




−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




66.086




−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




21.486




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




−12.308




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




59.855




−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




19.819




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




8




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




22.879




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




51.688




−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




16.498




1.80




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




14.488




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




23.82




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




68.047




−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




5.381




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




C




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




−0.825




B.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




38.12




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




42.41




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




31.00




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




81




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






ATOH




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




−16.644




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




8






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




−0.598




−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




−1.828




−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




−6.653




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




11.892




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




15.930




1.00




39.74




8






ATOM




3088




CB




GLU




B




119




70.439




9.477




18.447




1.00




42.37




6






ATOM




3089




CG




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




57.688




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




4.628




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




0.887




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




1.882




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




31.00




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




s.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




19.7D7




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




1.80




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




1.80




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




6.684




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




13.890




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




8






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




O




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




−5.989




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




−7.581




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




86.854




−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




CD2




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




38.55






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




48.196




1.00




46.79




6






ATOM




3625




N




GLU




B




196




85.603




−18.288




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




28.48




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




CC1




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




CLN




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




1.09




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




35.99




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




68.695




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




5






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




5






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




35.960




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




50.665




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




13.892




−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




−4.052




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




W




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




78.486




−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




4463




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




−13.826




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




−18.128




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




38.855




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




38.498




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




280




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




9.282




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






















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 μl




Autoclaved 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 prevent









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









as one stock. Final









concentrations were 100 and









50 mg/l respectively.






L-phenylalanine




12.5 g/l






L-threonine




12.5 g/l






L-isoleucine




 6.25 g/l






L-leucine




 6.25 g/l






L-valine




 6.25 g/l






L-seleno-




Final conc:





No need to sterilise, to






methionine




50 mg/l





minimise risk of oxidation.









Dissolved in water directly









in bottle in which









supplied, then added.













a


Sambrook, J., Fritsch, E. F. & Maniatis, T. (1989). Molecular cloning: a laboratory manual, 2nd ed. Cold Spring Harbour Laboratory Press, Cold Spring Harbor, N.Y.























TABLE 3











Crystallographic








refinement






No. reflexions (test set)




77294 (4062)




Test set is ex-








cluded from re-








finement for








cross-validation






No. restraints




15730




Restraints in TNT








with a weight








assigned






No. parameters




20236






Weight for geom.




3






restraints (TNT)






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 re-








flexions






R


factor






22.6




R


factor


=








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




28.0






B


factor


(Å


2


)






Model quality






Ramachandran plot




% residues in most




92.2







favoured region







% residues in generously-




7.4







allowed region







No. residues in dis-




0







allowed region






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




2.6







expected limits







% bond angles outside




3.1







expected limits







% planar groups outside




1.0







expected limits






WhatCheck criteria




No. unsaturated H-bonds




2







No. residues in unusual




14







environments













Claims
  • 1. A crystal of pantothenate synthetase (PS) having a monoclinic space group P21, and unit cell dimensions of a=66.0±0.2 Å, b=78.1±0.2 Å, c=77.1±0.2 Å and f=103.7±0.2°.
  • 2. A crystal of PS having the three dimensional atomic coordinates of Table 1.
Non-Patent Literature Citations (20)
Entry
Alexeev et al. The Crystal Structure of 8-Amino-7-oxononanoate Synthase: A Bacterial PLP-dependent, Acyl-CoA-condensing Enzyme. Journal of Molecular Biology,. Nov. 1998, vol. 284, No. 2, pp. 401-419.*
Fraser et al. Phosphorylated and Dephosphorylated Structures of Pig Heart, GTP-specific Succinyl-CoA Synthetase. Journal of Molecular Biology. Jun. 2000, vol. 299, No. 5, pp. 1325-1339.*
Barker et al., “Conserved cysteine and histidine residues in the structures of the tyrosyl and methionyl-tRNA synthetases”, FEBS Letters, vol. 145, No. 2, Aug. 1982, pp. 191-193.
Bohacek et al., “The Art and Practice of Structure-Based Drug Design: A Molecular Modeling Perspective”, Medicinal Research Reviews, vol. 16, (1996), pp. 3-50.
Brick et al., “Structure of Tyrosyl-tRNA Synthetase Refined at 2-3, A Resolution”, J. Med. Biol. (1988), 208, pp. 83-98.
Greer et al., “Application of the Three-Dimensional Structures of Protein Target Molecules in Structure-Based Drug Design”, Journal of Medicinal Chemistry, Apr. 15, 1994, vol. 37, No. 8, pp. 1035-1054.
Izard et al., “The crystal structure of a novel bacterial adenylyltransferase reveals half of sites reactivity”, The EMBO Journal, vol. 18, No. 8, (1999), pp. 2021-2030.
Jones et al., “Docking small-molecule ligands into active sites”, Current Opinion in Biotechnology, vol. 6, (1995), pp. 652-656.
Mechulam et al., “Crystal Structure of Escherichia coli Methionyl-tRNA synthetase Highlights Species-specific Features”, J. Mol. Biol., (1999), 294, pp. 1287-1297.
Nureki et al., “Architectures of Class-Defining and Specific Domains of Glutamyl-tRNA Synthetase”, Science, vol. 267, Mar. 31, 1995, p. 1958-1965.
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