WO2004078910A2 - Identifying inhibitors of type ii isopentenyl diphosphate: dimethylallyl diphosphate isomerase - Google Patents

Abstract

The invention provides a protein crystal of the protein type II isopentenyl diphosphate:dimethylallyl diphosphate isomerase. The invention further provides the crystal structure of said protein in the absence and in the presence of flavin mononucleotide. The invention also provides methods of identifying potential inhibitors of said protein. Said potential inhibitors may be used as antibiotics for combatting pathogenic microorganisms having said protein.

Description

Identifying inhibitors of type II isopentenyl diphosphaterdimethylallyl diphosphate isomerase

Field of the Invention

The present invention relates to protein crystals of the protein type H isopentenyl diphosphate:dimethylallyl diphosphate isomerase. The invention further relates to methods of crystallising said protein and to the three-dimensional structure of said protein determined from crystals of said protein. Further, methods of identifying potential inhibitors of said protein by rational drug design are provided.

Background of the invention

Isoprenoids are one of the largest groups of natural products. More than 30.000 respresentatives in all taxonomic groups have been described up to now, among them many biologically important compounds such as sterols, steroid hormones, carotenoids, the phytol side chain anchor of chlorophyll, the acyclic polyprenoid plastoquinone, the carbohydrate carrier dolichol, and the electron transporters ubiquinone respectively menaquinone, to mention just a few (1).

The structural complexity of many isoprenoid compounds is in striking contrast to their biosynthesis, because they are assembled from only two simple precursors, namely isopentenyl diphosphate (EPP, 1) and dimethylallyl diphosphate (DMAPP, 2)(Fig. 1). Two pathways for the biosynthesis of these universal intermediates have been described, the classical mevalonate pathway (for review, see Refs. (2-5)) and the more recently identified deoxyxylulose phosphate pathway (for review, see Refs.(6-10)). The classical route comprises 7 consecutive enzymatic steps (Fig. 1). Firstly, 3 molecules of acetyl-CoA (3) are condensated to 3-hydroxy-3-methylglutaryl coenzyme A (4), which is subsequently reduced to mevalonate (5). 5 is then converted into IPP by phosphorylation and decarboxylation. The last step of this pathway is the isomerisation of IPP to DMAPP.

The initial step in the deoxyxylulose phosphate pathway is the condensation of pyruvate (6) and D-glyceraldhyde 3-phosphate (7) to 1-deoxy-D-xylulose 5-phosphate (8), the first intermediate of this pathway (11,12) (Fig. 1). In a second step, 8 is converted into the branched chain polyol 2C-methyl-D-erythritol 4-phosphate (9) (13). 9 is further transformed in three consecutive reactions into its cyclic derivative 2C-methyl-D-erythritol 2,4-cyclodiphosphate (10) (14-19). The two remaining steps, in contrast to the mevalonate pathway, result in the simultaneous formation of both EPP and DMAPP via l-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate (11), the recently identified last intermediate of this pathway (20-24).

An important difference between both pathways is that the mevalonate pathway exclusively leads to IPP that must be isomerized to DMAPP whereas the methylerythritol phosphate pathway (also refened to as deoxyxylulose pathway or non-mevalonate pathway) branches in its final steps and results in the independent formation of IPP and DMAPP. The isomerization is performed by IPP:DMAPP isomerases (EC 5.3.3.2) which include two non- homologous protein families. The long known type I isomerases (EDI-1) from various organisms including man (25), S. cerevisiae (26), and E. coli (27), and A. thaliana (28) require divalent metals for activity. In contrast, the unrelated type H isomerase recently found in Streptomyces sp. strain CL190 which synthesizes IPP via the mevalonate pathway requires FMN, NAD(P)H and divalent metal ions (29). Orthologs were identified by comparative genomics in archaea and some eubacteria. It should be noted that there is no simple correlation between the route of EPP/DMAPP biosynthesis and the occunence of a particular type of HDL

The occurrence of the respective pathway in various species can be gleaned from recent isotope incoφoration studies in conjunction with comparative genomics (9,10,30). Archaea, animals and fungi use exclusively the mevalonate pathway. Plants invariably utilize the mevalonate pathway in the cytosolic compartment and the methylerythritol phosphate pathway in the plastids. Among apicomplexan protozoa, Plasmodium falciparum was shown to possess the methylerythritol phosphate pathway (31,32). The majority of eubacteria with the exception of Gram-positive cocci use the methylerythritol phosphate pathway (33).

Isomerization of IPP to DMAPP represents an obligatory step for the formation of higher isoprenoids and survival for organisms which biosynthesize IPP via the mevalonate route. Accordingly, EDI-1 is an essential enzyme in S. cerevisiae (34) but a non-essential enzyme in E. coli (27). The finding that humans utilize the mevalonate pathway and possess EDI-1, whereas some pathogenic Gram-positive pathogens including multi-drug resistant strains of Staphylococcus aureus, Streptococci and Enterococci utilize also the mevalonate pathway but possess IDI-2 makes these enzymes an attractive target for the development of new drugs for the treatment of infections caused by these pathogenic microorganisms.

Rational design of potential inhibitors of DDI-2 has not been possible so far since no three-dimensional structural information on IDI-2 has been available. It is therefore a problem of the invention to provide methods of rational drug design of potential inhibitors of DDI-2.

General Description of the Invention

The above object is achieved by the features of the independant claims. Prefened embodiments of the invention are characterized in the sub-claims.

The invention provides a crystal which comprises the protein type π isopentenyl diphosphate:dimethylallyl diphosphate isomerase (herein refened to as ^ΛEDI-2"), notably a tetragonal crystal form. The novel crystal of the invention suφrisingly allows soaking with a ligand, notably with flavin mononucleotide (FMN). The novel crystal allows the determination of the crystal structure of HDI-2. Further, the novel crystal allows the determination of the crystal structure of HDI-2 in complex with ligands, notably FMN. Suφrisingly, the ligand FMN has been found to bind to HDI-2 in the crystal of this invention, thereby identifying an active site of HDI-2 and allowing a detailed mapping of active site regions and residues which bind FMN and potential inhibitors. Thus, the present invention allows for the first time to perform rational drug design of novel inhibitors of HDI-2 based on the atomic coordinates of the crystal structures of the invention.

The novel crystal of the invention preferably has space group P2(l) and a unit cell with a= 115.5 2 D, c= 141.5 3 D. Said novel crystal diffracts x-rays to a resolution of better than 4 D, more preferably better than 3 D, and most preferably better than 2.5 D. The crystals of the invention feature the important advantage that ligands of HDI-2 may be soaked in, which allows soaking experiments and the determination of the three-dimensional (3D) structure of HDI-2 in complex with low molecular weigth organic compounds like inhibitors.

Crystallisation may be done by any method known in the art like batch methods or vapour diffusion methods. Hanging- or sitting-drop vapor diffusion methods are prefened. Sitting-drop vapor diffusion is most prefened (see example 4). According to a prefened crystallisation method, an aqueous solution of the protein DDI-2 is mixed with a reservoir solution, preferably in a 3 : 1 (v:v) ratio, followed by equilibrating the mixture of said protein and said reservoir solution against said reservoir solution by vapor diffusion, whereby said reservoir solution is an aqueous solution containing 14 % (v/v) PEG 400, 2.5 % (w/v) PEG 8000, 70 mM Tricine, 30 mM Tris HCl, 170 mM NaCl, pH 8.7. More preferably, said aqueous solution of said protein contains 5 mg/ml of said protein and 50 mM Tris/HCl pH 8.0).

The 3D structure of the protein HDI-2 in complex with a bound ligand may be solved by preparing a crystal containing DDI-2 in complex with the ligand. This may be achieved by co- crystallizing DDI-2 with the inhibitor or by soaking a crystal of DDI-2 not containing a potential ligand in mother liquor containing an excess of the inhibitor of interest for a suitable time. Prior to collection of diffraction data, crystals may be frozen according to known methods of cryo- crystallography, preferably after treatment of the crystal with a suitable cryo protectant.

The crystal of the invention may be used for the determination of the three-dimensional structure of the protein DDI-2 or the three-dimensional structure of said protein in complex with a bound ligand of said protein. The 3D structure of protein DDI-2, preferably with a bound ligand, may be solved according to known procedures of protein crystallography. Preferably, the 3D structure is solved as described in example 5. The accuracy of the coordinates of a protein crystal structure depends inter alia on the resolution of the diffraction data used in refinement. The resolution should be such that amino acid side chains in well-ordered regions of the protein can be seen in the electron density maps. The resolution should be at least 4 D , preferably better than 3 D , and most preferably at least 2.5 D . The coordinates provided herein contain experimental enor and are limited inter alia by the resolution and quality of the diffraction data. Crystallisation conditions may be further improved according to known approaches in protein crystallisation to obtain crystals of higher quality, diffraction data to better resolution or of otherwise better quality may be measured and more accurate coordinates may be obtained. This may e.g. be achieved by using synchrotron radiation, optionally in combination with cryo-crystallography. It has been found that the crystals used herein can be frozen by liquid nitrogen. Using the atomic coordinates disclosed herein as starting structure, such an improved structure may be easily obtained. This may change the numerical values of the atomic coordinates to some extent but the fold of protein HDI-2 will remain the same. All 3D structures of said protein, optionally containing a bound ligand like a potential inhibitor, with atomic coordinates the numerical values of which differ only within experimental or computational enor from those disclosed herein due to a different choice of the coordinate system, due to different experimental conditions or due to a different quality of experimental data are also comprised by the present invention.

Upon binding of a ligand to the protein DDI-2, the structure of said protein may undergo changes. Often, such changes are limited to amino acid side chain conformations but whole groups of amino acids including their peptide back bone may move as well, particularly amino acids in a flexible loop. Such altered conformations are also comprised by this invention as long as the overall fold of the protein remains the same. The two structures disclosed herein provide a framework of conformational states assumable by the protein HDI-2 in the absence and presence of ligands. When performing rational drug design or computer modelling, at least the conformation of amino acid side chains will also be varied in the process of finding a potential inhibitor. Prefened and less-preferred side chain conformations (torsion angles) are known in the art.

Herein, the Bacillus subtilis protein has been used to determine the structure of protein DDI-2. This invention relates also to said protein from other organisms. Although orthologous proteins from various organisms may differ considerably in the primary structure, the fold and active site architecture typically remain essentially the same. Active site residues necessary for the function of a protein are conserved. As a consequence, inhibitors found according to the methods of this invention using the 3D structure of protein DDI-2 from B. subtilis will also be inhibitors of orthologous proteins from organisms other than B. subtilis. This invention therefore comprises data storage devices having stored thereon HDI-2 crystal structures, optionally with a bound ligand, with root mean square deviations from the crystal structures disclosed herein over protein backbone atoms or, preferably, over all non-hydrogen protein atoms of not more than 3 D, preferably not more than 2 D and most preferably not more than 1 D. The 3D structures of such related proteins may easily be obtained by homology modeling using the 3D structures of this invention. Practically, other proteins comprised by this invention maybe those whose crystal structures can be solved by molecular replacement using the coordinates of the B. subtilis EDI-2 of this invention.

After the structure of the protein EDI-2 has been solved and refined, the atomic coordinates may be stored on a computer-readable data storage device for further use. A data storage device having stored thereon atomic coordinates of the three-dimensional structure of the protein HDI-2, optionally in complex with a bound ligand, is also comprised by the present invention.

The present invention discloses two crystal structures (cf. table 2):

(i) the structure of the apo form of HDI-2 from Bacillus subtilis at 1.9 A resolution (refened to herein as "EDI-2- APOA); the atomic coordinates are given in table 4.

(ii) the structure of the complex of HDI-2 from Bacillus subtilis with the ligand FMN at 2.8 A resolution (refened to as TDI-2- FMNA herein); the atomic coordinates are given in table 5. The 3D structures disclosed herein allow to perform methods of identifying potential inhibitors of HDI-2 employing computer methods of rational drug design and computer modeling. These methods may be combined with HDI-2 assays using potential inhibitors. Preferably, structural information of active site residues and/or of bound ligands and/or inhibitor fragments are used for rational design/computer modelling of potential inhibitors. Potential inhibitors may then be synthesized and their inhibitory potential be tested experimentally. This approach allows the direct design or identification of an inhibitor or reduces the number of compounds which have to be synthesized and to be tested for their inhibitory potential experimentally, since only structures found to be promising in silico are further pursued experimentally. Alternatively, the structures of already existing chemical compounds may be screened in silico using the 3D structures of EDI-2 of the invention and promising potential inhibitors may then be tested experimentally for actual inhibition activity on DDI-2. An inhibitor obtained by the methods of this invention may be used as antibiotic against pathogenic bacteria having DDI-2.

The invention provides the following methods that can be used for identifying novel inhibitors of DDI-2:

A method of using the protein EDI-2 and atomic coordinates of the three-dimensional structure of said protein optionally in complex with a bound ligand, said atomic coordinates being derived from a crystal structure determination, in an inhibitor-screening assay, comprising: (a) selecting a potential inhibitor by performing rational drug design using said atomic coordinates in conjunction with computer modelling;

(b) contacting the potential inhibitor with said protein; and

(c) detecting binding of the potential inhibitor to said protein or detecting inhibition of enzymatic activity of said protein by the potential inhibitor.

Preferably, said binding is detected by soaking a crystal comprising said protein with the potential inhibitor or by growing a crystal of said protein in the presence of the potential inhibitor and determining the three-dimensional structure of the complex comprising the protein and the potential inhibitor. Alternatively, binding may be detected using an activity assay of HDI- 2, whereby a reduced activity of EDI-2 in the presence of said potential activity compared to an assay in the absence of said potential inhibitor is inteφreted as binding of said potential inhibitor to said protein. As activity assay that described in Ref.29 or that described in example 3 may be used.

A method of identifying a potential inhibitor of the protein DDI-2 by determining binding interactions between the potential inhibitor and a set of binding interaction sites in a binding cavity of said protein, comprising

(a) generating the binding cavity on a computer screen using atomic coordinates of said protein,

(b) generating potential inhibitors with their spatial structure on the computer screen, and

(c) selecting potential inhibitors that can bind to at least 3 amino acid residues of said protein without steric interference.

A binding cavity that may be used in this method may be the site where FMN binds to EDI-2 as detected in structure HDI-2-FMN of this invention. Preferably, a potential inhibitor is selected in step (c) that binds at a position that interferes with the binding of flavin mononucleotide (FMN) to said protein.

A computer-assisted method for identifying potential inhibitors of the protein EDI-2 using a programmed computer comprising a processor, a data storage system, a data input device, and a data output device, comprising the following steps: (a) inputting into the programmed computer through said input device data comprising: atomic coordinates of a subset of the atoms of said protein and optionally atoms of a bound ligand, thereby generating a criteria data set;

(b) comparing, using said processor, the criteria data set to a computer data base of low-molecular weight organic chemical structures stored in the data storage system; and

(c) selecting from said data base, using computer methods, a chemical structure having a portion that is structurally complementary to the criteria data set pertaining to the protein, and/or structurally similar to the criteria data set pertaining to the bound ligand, and being free of steric interference with the protein.

A computer-assisted method for identifying potential inhibitors of the protein HDI-2 using a programmed computer comprising a processor, a data storage system, a data input device, and a data output device, comprising the following steps:

(a) inputting into the programmed computer through said input device data comprising: atomic coordinates of a subset of the atoms of said protein and optionally atoms of a bound ligand, thereby generating a criteria data set; and

(b) constructing, using computer methods, a model of a chemical structure having a portion that is structurally complementary to the criteria data set pertaimng to the protein and/or structurally similar to the criteria data set pertaining to the bound ligand and being free of steric interference with the protein.

In said computer-assisted methods, said subset may comprise atoms of one or more of the amino acids mentioned in table 3. Said bound ligand may be FMN and its atomic coordinates may be derived from structure EDI-2-FMN.

A method of identifying a candidate inhibitor capable of binding to and inhibiting the enzymatic activity of the protein HDI-2, said method comprising the following steps:

(a) introducing into a computer information derived from atomic coordinates defining a conformation of the active site of said protein, said atomic coordinates being based on three-dimensional structure determination of said protein, optionally in complex with a bound ligand, whereby said program utilizes or displays on the computer screen the structures of said conformation;

(b) generating a three-dimensional representation of a binding pocket of the active site of said protein, and optionally a three-dimensional representation of said bound ligand, by said computer program on a computer screen;

(c) superimposing a model of a candidate inhibitor on the representation of the binding pocket of the active site and/or of the bound ligand;

(d) assessing the possibility of bonding and the absence of steric interference of the candidate inhibitor with the active site of said protein;

(e) incoφorating said candidate compound in an activity assay of said protein; and

(f) determining whether said candidate compound inhibits enzymatic activity of said protein.

Preferably, said assessing the possibility of bonding of step (d) comprises using information of at least some of the following interactions of the active site with the bound ligand flavin mononucleotide (FMN):

Gly259 contacting with its amide group the phosphate group of FMN;

Als280 contacting with its amide group the phosphate group of FMN; Gly281 contacting with its amide group the phosphate group of FMN;

Ser93 hydrogen bonding with its backbone amide group the O4 oxygen of FMN;

Thr64 hydrogen bonding with its backbone amide group the N5 nitrogen of FMN;

Asn 122 bonding with its side-chain carboxamide group the O3 oxygen of FMN;

Asnl22 bonding with its side-chain carboxamide group the N3 nitrogen of FMN;

Met63 supporting the dimethylbenzene ring of FMN;

Asp289 contacting the dimethylbenzene ring of FMN of another subunit. h the above methods, compounds are preferably selected that can bind to at least 5 binding sites of said protein.

One approach of identifiying a potential inhibitor by rational drug design using the crystal structures of the invention is to block the binding of FMN to HDI-2. This may be achieved by designing or selecting a derivative of FMN that can bind to DDI-2 but is not able to perform the function of FMN. Preferably, said derivative does not have the redox properties of FMN. Also, said derivative may be rationally desinged using the crystal structures of the invention such that it binds to DDI-2 stronger than FMN does.

Once a suitable inhibitor of the synthase has been found, inhibitor-resistant mutants of the synthase may be designed using the 3D structures disclosed herein.

Brief description of the Figures

Figure 1

Biosynthesis of IPP and DMAPP by (a) the deoxyxylulose pathway that starts with pyruvate and D-glyceraldehyde 3-phosphate and (b) the mevalonate pathway that starts with acetyl-CoA.

Figure 2

Three-dimensional structure of B. subtilis EDI-2. (A) The monomer is comprised of a TIM barrel fold with N- (in dark blue) and C-terminal extensions (in pink). The FMN phosphate moiety is anchored at the standard phosphate binding (SPB) motif similar to other FMN-binding TEVI barrel proteins. Two disordered loop structures are indicated by dotted lines: that connecting H4 and H4' (residues Vall55 to Serl62) in dark blue and that connecting S6/H6' (Tyr211 to Ghι225) in orange. The latter becomes partially ordered for residues Tyr211 to Phe216 and shields the phosphoribityl moiety upon FMN binding. (B) Tetramer structure viewed from the center of the octameric cage. (C) Octamer of D4-symmetry present in the crystals and in solution viewed along a twofold axis. The FMN biding sites and the disordered loop structures reside inside the cage and are not involved in crystal contacts.

Figure 3

FMN binding site. (A) Close-up of the octameric contacts and the glycine-rich sequence motif T64GGG. (B) Fo-Fc simulated annealing omit electron density of FMN at 2.8 A resolution contoured at 2.5 sigma. The phosphate ion is hydrogen bonded to the amide of Gly259 of the glycine-rich motif Ser257GlyGly and to the amides of Ala280 and Gly281 that form the standard phosphate binding (SPB) motif. The isoalloxazine ring is fixed by hydrogen bonds to Thr64, S93 and N122. The si-side of FMN is exposed for reactions. The conserved Hisl47 is located near FMN.

Figures 2 and 3 were created using the atomic coordinates disclosed in tables 4 and 5. Detailed Description of the Invention

Recombinant EDI-2 from Bacillus subtilis was isolated as a colorless protein and crystallized in the absence of FMN and other ligands. The tetragonal crystals were of space group 14. The apo structure was solved by multiple isomoφhous replacement with three heavy atom derivatives (Table 1) and refined to a final R-factor of 19.9% (Rfree 22.1%) at a resolution of 1.9 A (Table 2). The asymmetric unit contains two monomers organized as single TEVI barrel domains related by a non-crystallographic two-fold rotation. Ordered residues in molecule A comprise Arg21 to Ilel54, Phel63 to Gly210 and Arg226 to the C-terminus Arg349. The disordered loop connecting H4/H4' (Vail 55 to Serl62) of the TDVI banel domain harbors the conserved motif Glul58-Gly-Asp. The second disordered region from Tyr211 to Gln225 between S6/H6' of the TIM barrel contains the strictly conserved residues Gly212-Gly-Thr and Glu220. The rms deviation between molecules A and B is 0.27 A for 305 CD position without applying NCS -restrictions during refinement, hi the FMN complex (structure DDI-2-FMN), additional electron density for Nall55 and Metl56 at the first disordered loop and weak electron density for residues Tyr211 to Phe216 covering the phosphoribityl moiety of FMΝ at the second disordered loop was visible. This shows that the latter region including the conserved motif Gly212-Gly-Thr is involved in FMΝ binding. However, little electron density is visible for residues around the strictly conserved Glu220. Both disordered regions are located in the interior of the octameric cage.

Monomer and Octamer Structure

The monomer of HDI-2 consists of a regular T barrel (or D8D8 banel) domain (Fig. 2a) including residue De58 to Leu313. The Ν-terminal region up to Pro57 forms an irregular structure and an anti-parallel two-stranded D -sheet that functions as a support at one side of the barrel, a structural feature commonly observed for TIM banels (45). Parts of the Ν-terminal region pack against the C-terminal residues from Gly314 to Arg349. In particular, Asp27 to Nal31 form a two-stranded anti-parallel D-sheet with Leu326 to Gly330.

According to analysis of crystal packing, HDI-2 can form D4 symmetric octamers, e.g. two tetramers (Fig. 2b) related by a two-fold rotation (Fig. 2c). hi the crystals of space group 14 that contain two monomers of HDI-2 in the asymmetric unit, the tetramers with large intersubunit surfaces are generated by a four-fold symmetry axis. The second asymmetric monomer is related by a two-fold non-crystallographic axis. From this second monomer a second tetramer is generated likewise by the same four-fold axis. This results in an octameric cage-like assembly (Fig. 2c) as the tetramers contact each other only via tip-like edges of the monomers (Fig. 3 a). On the basis of gel-filtration experiments, the HDI-2 protein from Streptomyces sp. strain CL190 has been reported to form tetramers (29). Molecular mass determination by analytical ultracentrifugation in the absence and presence of ligands (FMΝ, ΝADPH, IP P) showed that EDI-2 from B. subtilis is an octamer in solution. Therefore, we conclude that the octamer observed in the crystals corresponds to the solution state of DDI-2 from B. subtilis.

The contact surface within the tetramer is about 1500 A² per monomer, whereas the surface buried by the octameric contact is only about 250 A² per monomer. The tetramer contact stabilizes ordered secondary structures that would otherwise very likely be disordered including the loop connecting H4 and H4¹ (residues 149 to 165), and the stretch preceding D -helix H6 (residues 227 to 236). Notably, both regions harbor conserved residues and the latter includes the completely disordered region Gly210 to Gly226. In contrast, the octameric contacts, that involve both hydrophobic and hydrophilic interactions, occur within structural elements that appear stabilized within the monomers, the turn regions between SI and HI and H8 and H8', the latter is composed of a helix-tum-helix motif connecting H8 and H8'. This structural feature argues that EDI-2 proteins might well be present as tetramers in other organisms as the residues involved in the octamer contacts are not well conserved.

FMN binding to EDI-2 (structure IDI-2-FMN)

The FMN cofactor of IDI-2 from B. subtilis is lost during purification. However, this does not significantly influence the apparent stability of the protein which could be crystallized in the absence of FMN. Soaking of the crystals with 20 mM FMN for two days was conducive of an additional electron density in the center of the TIM barrel domain (Figs. 2a, 3b). Therefore, one molecule FMN is bound per monomer. The phosphate moiety of FMN contacts the backbone amides located at the C-terminal end of S7 (Gly259) and H8 (Ala280, Gly281), respectively. This regions of TEVI banel proteins is known as standard phosphate binding (SPB) motif ranging form S7, loop7, H7, S8 to H8' and is utilized by several proteins of the FMOP family of FMN-dependent and phosphate binding enzymes (45). Interactions of the isoalloxazine ring involve residues of SI to S4 within the TEVI barrel. Here, the O4 oxygen of FMN is hydrogen bonded to backbone amide of the conserved Ser93 (2.6 A), the N5 nitrogen to the side chain hydroxyl of Thr64 of the TGG-motif (2.9 A). These contacts are rather tight and result in a well defined electron density for the pyrimidine portion, hi addition, the O3 oxygen and the N3 nitrogen of FMN are bound to the carboxamide group of Asnl22 (3.4 and 3.1 A, respectively).

The N5 atom of FMN, which is the site of oxidatiye attack, forms a hydrogen bond to the side chain hydroxyl of Thr64 (2.9 A) but has a rather long distance to its amide nitrogen (3.6 A) with an angle of 176D between N10-N5-OD(Thr64) and 137D between N10-N5-N(Thr64), respectively. An H-bond donor that influences the redox properties of FMN is frequently observed at N5 with a distance of about 3.0 A and an angle to N5 and N10 in the range of 116 to 170D (46). The dimethylbenzene ring of FMN that is supported by Met63 has a significantly weaker electron density compared to the pyrimidine ring. The side chain of Met63 is not well ordered in the FMN complex as well. The only contact of FMN to neighboring subunits occurs between the side chain of Asp289 and the dimethylbenzene ring.

Attempts to identify the binding site for the substrate IPP and for NADP⁺ failed as soaking crystals of the apo-protein with 10 mM of the respective compound in the presence of 5 mM Mg²⁺ did not show additional electron density. This indicates that the disordered regions between H4/H4' and S6/H6' are essential for substrate binding. Weak additional electron density was visible for the loop connecting S6 and H6' that covers the phosphoribityl chain of FMN. This loop may also shield the active site during catalysis as observed for many FMN-dependent enzymes (46).

Discussion of structure and reaction mechanism of DDI-2

No experimental data on the molecular mechanism of the isomerization reaction catalyzed by the recently discovered HDI-2 proteins in an FMN, NADPH and metal dependant way (29) have been available so far. The structural analysis of the B. subtilis EDI-2 presented here reveals a rigid, cage-like framework for the catalytic reaction. In the absence of FMN no predefined, well ordered binding sites for IPP, NADP(H) or divalent cations are observed. Near- stoichiometric binding of FMN is achieved at high concentrations of 10 mM which is certainly much higher than the cellular concentration. Ligand binding is apparently not significantly enhanced by the concomitant presence of IPP, NAD⁺, NADP⁺ and Mg²⁺. This may reflect a low intrinsic affinity for FMN and the absence of strong cooperativity. Blocking of binding sites by crystal contacts appears rather unlikely as the FMN binding sites and the disordered loop structures are located in the interior of the open cage. However, it cannot be ruled out that a slight rearrangement of the quaternary assembly of the octamer that is inhibited by crystal packing is associated with ligand binding. On the other hand, this may well be an intrinsic property of HDI-2 proteins as B. subtilis HDI-2 binds FMN also rather weakly in solution as is completely lost during purification and as a relatively low affinity to FMN has also been reported for the EDI-2 protein from Streptomyces sp. Strain CL190 (29).

DDI-2 represents an attractive target for novel antibiotics as many pathogenic organisms possess EDI-2 proteins, especially multi-drug resistant strains of Staphyloccus aureus, that are known to biosynthesize IPP via the mevalonate route and therefore depend on the isomerization of IPP to DMAPP. The present study indicates a mobile active site architecture likely without a well defined binding site for the NADPH adenosine moiety or a diphosphate binding site that is well structured in the absence of FMN. The relatively low affinity of FMN to HDI-2 from B. subtilis suggests that inhibitors may be directed to the FMN binding site e.g. by mimicking substructures of FMN that forms numerous contacts. However, this approach requires specific ligands that do not substitute FMN in essential proteins of the mammalian host organism affected by the pathogen.

In contrast to HDI-2 proteins, the molecular mechanism of IDI-1 proteins has been clarified by numerous biochemical studies (47-49) that demonstrate a rather simple protonation/ deprotonation mechanism involving two residues, a cysteine and a glutamate (50) on opposite sides of the substrate IPP. This geometry results in a stereoselective antarafacial [1.3] transposition of hydrogen and involves the formation of a carbonium ion during catalysis (51). Recent structural studies on DDI-1 from E. coli (52) complexed with divalent cations and a sulfate ion and yeast (53) revealed the precise geometry of the active site architecture of this enzyme and suggested that the carbonium ion might be stabilized by a tryptophane residue through quadrupole-charge interactions. Interestingly, the divalent cation is coordinated by three histidine and two glutamate residues including the catalytic Glul 16 and not involved in binding of the EPP diphosphate moiety. The reaction is probably initiated by protonation of the CC double bond of PP by Cys67, leading to the intermediate formation of a carbocation, and completed by deprotonation of the latter by Glul 16 forming DMAPP. Coordination of Glul 16 by the divalent metal ion is expected to increase its basic character and to favor deprotonation of the intermediate carbonium ion.

The reaction catalyzed by HDI-2 depends on the presence of FMN and NADPH (54). Reactions catalyzed by flavoproteins without a net redox change are well known as well as enzymes where flavins have only a structural role (54). Dfp proteins for example involved in coenzyme A biosynthesis in bacteria (55) and plants (56) perform the decarboxylation of terminal cysteins by redox catalysis. There, as suggested by structural (57,58) and biochemical (55,56,59) studies in the first step the thiol group of the cysteine is oxidized to a thioaldehyde that spontaneously decarboxylates and FMN is reduced to FMNH2. The resulting ene-thiol intermediate is then reduced under regeneration of FMN.

Potential roles of FMN and NADPH in flavoproteins with no redox catalysis function were recently discussed by Bornemann (54). In principle, FMN may have a structural role and/or may participate in redox chemistry during the isomerization reaction. The necessity of NADPH indicates that this role is performed by the reduced FMN. The reduced FMN may have a role similar to the tryptophan residue in HDI-l proteins in stabilizing a cationic species by favorable electrostatic interactions. Most notably, IDI-2 proteins do not have a conserved cysteine residue at the active site which is indicative of a mechanism different from the protonation/ deprotonation mechanism of HDI-l proteins. A reaction mechanism that involves redox chemistry may either lead to a saturated intermediate by reduction of IPP when a hydride and a proton are transfened, or to a radical when a single electron and a proton are transfened, respectively.

NADP⁺ was not detected bound to HDI-2 even in the presence of FMN, suggesting that no well defined binding site for the adenine nucleotide portion is present in the enzyme which usually serves as anchor for NADPH. In contrast, disorder of the nicotinamide portion of NADP is quite often observed. However, a parallel can be drawn to old yellow enzyme that is also a member of the TIM banel family. There, it appears that the nicotinamide moiety of NADP is tightly bound to the enzyme, while the adenine phosphate is not (60).

No additional electron density was observed upon soaking the crystals with IPP in the presence of Mg²⁺. Mg²⁺ that is essential for catalysis may be involved in binding of the diphosphate moiety of IPP, what may be mediated by carboxylic acids (Asp or Asn), hydroxyl groups (Ser or Thr) or backbone carbonyl ligands as observed for ATP binding proteins that also bind ADP in a metal mediated way (61). However, Mg²⁺ is not necessarily liganded by the IPP diphosphate moiety as observed for HDI-l proteins (52, 53). Even if EPP binding were independent of Mg²⁺, as often observed for enzymes that do not involve a chemical reaction at the phosphate moiety, the phosphate binding sites usually have rather high affinity for phosphate or sulfate that should be sufficient for the binding of the IPP diphosphate moiety.

Methods of selecting or identifying potential inhibitors of EDI-2 Potential inhibitors of DDI-2 may be identified using the structural information and the methods provided herein. Preferably, potential inhibitors are selected by their potential of binding to the active site. Compounds which bind to the active site can be expected to compete with binding of the substrate, thus functioning as competitive inhibitors of DDI-2. Alternatively, a potential inhibitor may be selected based on its capability to block binding of FMN to EDI-2. When selecting a potential inhibitor by rational drug design or computer modeling, the atomic coordinates of the 3D structure of the protein HDI-2, preferably structure HDI-2- APO and more preferably structure HDI-2-FMN, is loaded from a data storage device into a computer memory and maybe displayed (generated) on a computer screen using a suitable computer program. Preferably, only a subset of interest of the coordinates of the whole structure of said protein is loaded in the computer memory or displayed on the computer screen. This subset of interest may comprise the coordinates of active site residues and/or those which make up the binding site where FMN was found in strucure DDI-2-FMN. This subset may be called a criteria data set; this subset of atoms may be used for designing an inhibitor. It may contain amino acid residues mentioned in claim 15. Further interactions that may be used are shown in table 3.

A potential inhibitor may then be designed de novo by rational drug design in conjunction with computer modelling. Models of chemical structures or molecule fragments may be generated on a computer screen using information derived from known low-molecular weight organic chemical structures stored in a computer data base or are built using the general knowledge of an organic chemist regarding bonding types, conformations etc. Suitable computer programs may aid in this process in order to build chemical structures of realistic geometries. Chemical structures or molecule fragments may be selected and/or used to construct a potential inhibitor such that favorable interactions to said subset or criteria data set become possible. The more favorable interactions become possible, the stronger the potential inhibitor will bind to the synthase. Preferably, at least one favorable interaction with said metal ion and favourable interactions with at least two amino acid residues should become possible. Favorable interactions are any non- covalent attractive forces which may exist between chemical structures such as hydrophobic or van-der-Waals interactions and polar interactions such as hydrogen bonding, salt-bridges, metal ion-ligand interaction etc. Unfavorable interactions such as hydrophobic-hydrophilic interactions should be avoided but may be accepted if they are weaker than the sum of the attractive forces. Steric interference such as clashes or overlaps of portions of the inhibitor being selected or constructed with protein moieties will prevent binding unless resolvable by conformational changes. The binding strength of a potential inhibitor thus created may be assessed by comparing favorable and unfavorable interactions on the computer screen or by using computational methods implemented in commercial computer programs.

Conformational freedom of the potential inhibitor and amino acid side chains of DDI-2 should be taken into account. Accessible conformations of a potential inhibitor may be determined using known rules of molecular geometry, notably torsion angles, or computationally using computer programs having implemented procedures of molecular mechanics and/or dynamics or quantum mechanics or combinations thereof.

A potential inhibitor is at least partially complementary to at least a portion of the active site of the protein EDI-2 in terms of shape and in tenns of hydrophilic or hydrophobic properties. Databases of chemical structures (e.g. Cambridge structural database or from Chemical Abstracts Service; for a review see: Rusinko (1993) Chem. Des. Auto. News 8, 44-47) may be used to varying extents. In a totally automatic embodiment, all structures of a data base may be compared to the active site or to a binding pocket, notably the FMN binding pocket, of said protein for complementarity and lack of steric interference computationally using the processor of the computer and a suitable computer program, hi this case, computer modeling which comprises manual user interaction at a computer screen may not be necessary. Alternatively, molecular fragments may be selected from a data base and assembled or constructed on a computer screen e.g. manually. Also, the ratio of automation to manual interaction by a person skilled in the art in the process of selecting may vary a lot. As computer programs for drug design and docking of molecules to each other become better, the need for manual interaction decreases.

A prefened approach of selecting or identifying potential inhibitors of said protein makes use of structure HDI-2-FMN of the invention. The atomic coordinates of FMN may be removed from being displayed if desired. However, the conformations of amino acid side chains of DDI-2 then still reflect a bound ligand. FMN may be used as a lead structure for other inhibitors of the invention. A potential inhibitor may be found based on the ribityl group and/or the phosphate group of FMN. Preferably, however, a potential inhibitor maybe found based on the isoalloxazine moiety of FMN. Thus, chemical structures or fragments thereof may be selected from data bases or constructed based on similarity of these groups to FMN. These groups of FMN may be exchanged by such selected or constructed fragments or chemical structures in order to improve the inhibitory function and/or in order to improve the suitability of the potential inhibitor thus obtained for pharmaceutical proposes.

Another preferred approach is the design of mechanism-based inhibitors like suicide inhibitors which modify DDI-2 when turning over with the inhibitor.

Possible approaches for rational drug design are described extensively in the literature. See e.g. Meng et al. (1992) J. Comp. Chem. 505-524; Cohen et al. (1990) J. Med. Chem. 33, 883- 894; Navia and Murcko (1992) Current Opinion in Structural Biology, 202-210; A. Parrill: rational drug design, ACS symposium series 719, American Chemical Society, 1999, Washington DC; Chemical and structural approaches to rational drug design, eds.: D. Weiner and W. Williams, CRC Press, 1995, Boca Raton.

Programs usable for computer modelling include Quanta (Molecular Simulations, hie.) and Sibyl (Tripos Associates). Other useful programs are Autodock (Scripps Research Institute, La Jolla, described in Goodsell and Olsen (1990) Proteins: Structure, Function and Genetics, 8, 195-201), Dock (University of California, San Francisco, described in: Kuntz et al. (1982) J. Mol. Biol. 161, 269-288.

Experimental assessment of potential inhibitors

Potential inhibitors may be assessed experimentally for binding to EDI-2 and/or for their inhibitory action on the catalytic activity of HDI-2. The potential inhibitors can be synthesized according to the methods or organic chemistry. Preferably, compounds from a database have been selected without remodelling, since their synthesis may already be known or they may even be available on the market. In any event, the synthetic effort needed to find an inhibitor is greatly reduced by the achievements of this invention due to the preselection of promising inhibitors by the above methods. Binding of a potential inhibitor may be determined after contacting the potential inhibitor with EDI-2. This maybe done crystallographically by soaking a crystal of HDI-2 with the potential inhibitor or by cocrystallisation and determining the crystal structure of the complex. Preferably, binding may be measured in solution by an DDI-2 activity assay or according to other methods known in the art. More preferably, inhibition of the catalytic activity of DDI-2 by the inhibitor is determined e.g. using the assay described in the examples section.

The activity of the protein EDI-2 may be measured by determining the consumption of EPP and/or the formation of DMAPP. The measurement may be carried out either directly with the reaction mixture or after the separation of the reaction mixture by chromatography, such as HPLC. The reaction should preferably be carried out in the presence of Mg²⁺ or in the presence of other divalent cations. The start of this reaction can be timed by the addition of the last of the essential components e.g. HDI-2 or substrate. The reaction can be stopped, if necessary, by methanol, chelating agents, like EDTA or acids like trichloro acetic acid. The activity of HDI-2 maybe expressed as the amount of substrate comsumed or product produced in a specified period of time and under specified conditions.

Inhibition by potential inhibitor may be determined by repeating an activity assay in the presence of a predetermined concentration of a potential inhibitor and comparing the obtained activities of the synthase. An inhibitor may be tested at several different concentrations. Further, the type of inhibition e.g. competitive, non-competitive, mi-competitive or ineversible may be determined according to known methods. An assays of DDI-2 based on NMR-spectroscopy is described in example 3.

Examples Example 1

Cloning and expression of the idi-2 gene from Bacillus subtilis

The idi-2 gene of B. subtilis (GenBank accession number Z99115) specifying isopentenyl diphosphate isomerase type π is amplified from bp position 197302 to 198348 by PCR using chromosomal B. subtilis DNA as template and the oligonucleotides 5=- TTGGTGGGATCCGTGACTCGAGCAGAACGAAAAAGAC-3= and 5=-

GGCTTTTATCATTTATCGCACACTATAGCTTGATG-3= as primers. The amplificate is purified, treated with the restriction enzymes BamHl and Sail, and ligated into the expression vector pQE30 (Qiagen, Hilden, Germany) which has been treated with the same enzymes. The resulting plasmid pQEidi-2 is electrotransfonned into E. coli strain XLl-Blue (Stratagene, Bullock et al., 1978) affording the recombinant strain XLl-pQEidi-2.

Example 2

Purification of recombinant isopentenyl diphosphate somerase type π (Idi-2 protein) The recombinant E. coli strain XLl-pQEidi-2 is grown in Luria-Bertani broth containing ampicillin (180 mg l^"1) and riboflavin (1 mg l^"1). Cultures are incubated at 37 DC with shaking. At an optical density (600 nm) of 0.7, EPTG is added to a final concentration of 2 mM, and the culture is incubated for 5 h. The cells are harvested by centrifugation, washed with 100 mM Tris hydrochloride, pH 8.0, and stored at -20 DC.

Frozen cell mass (8 g) is thawed in 40 ml of 100 mM Tris hydrochloride, pH 8.0, containing 0.5 M sodium chloride and 20 mM imidazole hydrochloride. The suspension is subjected to ultrasonic treatment and centrifuged. The supernatant is applied to a column of Ni-chelating Sepharose FF (2.0 x 2 cm, Amersham Pharmacia Biotech) which has been equilibrated with 100 mM Tris hydrochloride, pH 8.0, containing 0.5 M sodium chloride and 20 mM imidazole (flow rate, 2 ml min^"1). The column is washed with 50 ml of 100 mM Tris hydrochloride, pH 8.0, containing 0.5 M sodium chloride and 20 mM imidazole and is then developed with a gradient of 20 - 100 mM imidazole in 20 ml of 100 mM Tris hydrochloride, pH 8.0, followed by a gradient of 100 - 500 mM imidazole in 100 mM Tris hydrochloride, pH 8.0, containing 0.5 M sodium chloride (total volume, 120 ml). Fractions containing HDI-2 protein are combined, concentrated by ultrafiltration and dialyzed overnight against 100 mM Tris hydrochloride, pH 8.0, containing 1 mM DTT and 0.02 % sodium azide.

Example 3

Assay for isopentenyl diphosphate isomerase type H (HDI-2 protein) activity based on H- NMR spectroscopy

Assay mixtures contain 100 mM Tris hydrochloride, pH 8.0, 10 mM MgCl₂, 2.5 mM NADPH, 10 μM FMN, 1 mM DTT, 6.7 mM isopentenyl diphosphate (EPP), and 0.3 mg DDI-2 protein in a total volume of 600 μl. The reaction is initiated by adding protein to the complete assay mixture and the mixture is incubated at 37 DC. The conversion of IPP into dimethylallyl diphosphate (DMAPP) in the reaction mixture is analyzed directly by integration of the ¹H-NMR signals for the methyl groups of EPP (chemical shift, D 1.66 ppm) and DMAPP (chemical shifts, 1.61 and 1.65 ppm), respectively. The chemical shifts are referenced to external trimethylsilylpropane sulfonate. Example 4

Crystallization, Data collection and Data Processing

The isolated enzyme showed EPP:DMAPP isomerase activity in the presence of FMN, NADPH and Mg²⁺. Crystallization experiments were performed at 20 DC in Linbro plates using the sitting drop vapor diffusion technique. A drop of 30 μl of the protein solution (5 mg/ml in 50 mM Tris/HCl, 0.02 % (w/v) NaN₃, pH 8.0) was mixed with 10 μl of reservoir solution containing 70 mM Tricine, 30 mM Tris HCl, 170 mM NaCl, 14 % (v/v) PEG 400, 2.5 % (w/v) PEG 8000, pH 8.7. The droplets were equilibrated over 900 μl of the reservoir solution at 21 DC. Crystals of varying size appeared after 2 to 3 days. Crystals of 0.2 x 0.2 x 0.2 mm diffracted weakly to about 2.8 A resolution and showed rapid decay of the diffraction quality at room temperature. A larger frozen crystal of about 0.5 x 0.5 x 0.5 mm diffracted to 1.9 A resolution. Data of a crystal soaked with 10 mM FMN overnight were measured at 100 K and useful to 2.8 A resolution. The native and derivative data sets were collected at room temperature whereas all other data sets were collected at 100 K under cryogenic conditions using an Oxford cryostieam. Derivatives were prepared by soaking a crystal for 1 hour in the reservoir solution containing 2 mM Hg(II)acetate, Ta_δBrι₄ or K₂PtCi₄, respectively. For flash-freezing, crystals were incubated for at least 30 minutes in a buffer containing 30% PEG 400 and 70% of the reservoir solution.

All x-ray data were collected on a MAR Research345 image plate detector mounted on a Rigaku RU-200 rotating anode operated at 50 mA and 100 kV with D (CuKD) = 1.542 A. Diffraction intensities were integrated and reduced using either the program MOSFLM (35) and the CCP4 suite (30) or the HKL suite (31).

Example 5

Phasing, Model Building and Refinement

Initial heavy atom positions for the Hg(H)acetate derivative were identified with the program SHELXS (37) whereas all others were analysed by the inspection of difference Fourier maps. Heavy atom parameters were refined using MLPHARE (35). Phase calculation was performed between 25 and 3.3 A resolution for the apo enzyme. The electron density was improved by solvent flattening using the program DM (35) and twofold NCS averaging using the program ANE (38). Table I gives a summary of the data collection and phasing statistics. The 3.3 A electron density map was of sufficient quality to permit unambiguous chain tracing for about 90% of the model in the first round of model building using the program MAIN (39). Refinement steps carried out consisted of conjugate gradient minimisation, simulated annealing, and B-factor refinement with the program CNS using the mlf target (40). For cross- validation a random test set of 5 % of the total number of reflections was excluded from the refinement and used for the calculation of the free R-factor (41). The non-crystallographic symmetry restraints were released in the last cycles of refinement for the high resolution data set Nativ π. The Ramachandran plot (42) calculated with the program PROCHECK (43) showed no residues with angular values in forbidden areas. Accessible surface areas were calculated with GRASP (44).

merge =D D_hkl [(Di |I, - DIE|)/D, I,] Phasing power / r. m. s. lack of closure

Table 2: Refinement statistics of structures HDI-2-APO and EDI-2-FMN

Rcryst = Dhki ||Fobs| - k|F_calc|| /D_hkι |F_obs| for hkl D working set Rfree = D_hki ||F_obι| - k|F_caι_c|| /D_hki |F_obs| for hkl D test set

Table 3: Contacts of EDI-2 to FMN from structure DDI-2-FMN

Comment: symm denotes that D 289 resides in a symmetry related protomer of the octamer. ACarboxamide@ indicates that the atom can be either a nitrogen or oxygen atom of the carboxamide group as its orientation can not be determined unambiguously. The nomenclature of atoms of FMN is given in the following formula:

Tabelle 4: Koordinaten der Struktur EDI-2-APO

CRYSTl 115.833 115.833 141.520 90.00 90.00 90.00 I 4

ATOM 1 CB ARG 21 17. .236 -6.930 13. .212 1.00 61. .04 MOLA

ATOM 2 CG ARG 21 16, ,544 -8.099 12, ■ 518 1.00 63. .17 MOLA

ATOM 3 CD ARG 21 16, ,593 -9.373 13, .357 1.00 64. .74 MOLA

ATOM 4 NE ARG 21 15, .953 -9.233 14, .666 1.00 66. .38 MOLA

ATOM 5 CZ ARG 21 15, ,984 -10.168 15, .616 1.00 66, ,12 MOLA

ATOM 6 NH1 ARG 21 15, ,373 -9.957 16. .776 1.00 65, .46 MOLA

ATOM 7 NH2 ARG 21 16. ,631 -11.311 15, .405 1.00 64, .77 MOLA

ATOM 8 C ARG 21 17, .871 -4.502 13, .036 1.00 59. .01 MOLA

ATOM 9 O ARG 21 18. .929 -3.884 12, .910 1.00 59, .73 MOLA

ATOM 10 N ARG 21 18, .807 -6.196 11, .453 1.00 60, .78 MOLA

ATOM 11 CA ARG 21 17. ,618 -5.798 12, .258 1.00 60, ,07 MOLA

ATOM 12 N GLU 22 16. .900 -4.090 13, .844 1.00 56, .64 MOLA

ATOM 13 CA GLU 22 17. .038 -2.851 14, .602 1.00 53. .22 MOLA

ATOM 14 CB GLU 22 15, .647 -2.260 14. .860 1.00 57, ,67 MOLA

ATOM 15 CG GLU 22 14, .877 -1.919 13. .576 1.00 64. ,05 MOLA

ATOM 16 CD GLU 22 13, .471 -1.398 13, .841 1.00 68. .31 MOLA

ATOM 17 OE1 GLU 22 12, .621 -2.173 14, .351 1.00 70, .34 MOLA

ATOM 18 OΞ2 GLU 22 13, .210 -0.210 13, .536 1.00 69, .97 MOLA

ATOM 19 C GLU 22 17, .810 -2.977 15. .925 1.00 47, ,92 MOLA ATOM 20 O GLU 22 17.759 -4.003 16.598 1.00 46.44 MOLA

ATOM 21 N THR 23 18.525 -1.915 16.283 1.00 42.07 MOLA

ATOM 22 CA THR 23 19.297 -1.864 17.526 1.00 37.87 MOLA

ATOM 23 CB THR 23 20.372 -0.785 17.462 1.00 36.52 MOLA

ATOM 24 OG1 THR 23 19.738 0.457 17.130 1.00 34.45 MOLA

ATOM 25 CG2 THR 23 21.441 -1.119 16.405 1.00 38.56 MOLA

ATOM 26 C THR 23 18.385 -1.470 18.686 1.00 34.62 MOLA

ATOM 27 O THR 23 18.765 -1.587 19.851 1.00 33.89 MOLA

ATOM 28 N GLY 24 17.197 -0.975 18.357 1.00 31.77 MOLA

ATOM 29 CA GLY 24 16.274 -0.519 19.381 1.00 30.35 MOLA

ATOM 30 C GLY 24 16.533 0.941 19.764 1.00 30.75 MOLA

ATOM 31 O GLY 24 15.739 1.557 20.493 1.00 31.64 MOLA

ATOM 32 N LEU 25 17.629 1.513 19.277 1.00 29.39 MOLA

ATOM 33 CA LEU 25 17.962 2.904 19.622 1.00 29.15 MOLA

ATOM 34 CB LEU 25 19.389 3.250 19.138 1.00 26.73 MOLA

ATOM 35 CG LEU 25 20.462 2.405 19.877 1.00 31.05 MOLA

ATOM 36 GDI LEU 25 21.867 2.710 19.341 1.00 31.08 MOLA

ATOM 37 CD2 LEU 25 20.419 2.696 21.394 1.00 28.35 MOLA

ATOM 38 C LEU 25 16.924 3.936 19.138 1.00 30.91 MOLA

ATOM 39 O LEU 25 16.826 5.019 19.711 1.00 29.59 MOLA

ATOM 40 N ASP 26 16.135 3.601 18.118 1.00 29.43 MOLA

ATOM 41 CA ASP 26 15.081 4.522 17.660 1.00 33.52 MOLA

ATOM 42 CB ASP 26 14.492 4.059 16.326 1.00 36.63 MOLA

ATOM 43 CG ASP 26 15.453 4.253 15.158 1.00 42.31 MOLA

ATOM 44 OD1 ASP 26 15.245 3.610 14.110 1.00 46.44 MOLA

ATOM 45 OD2 ASP 26 16.412 5.048 15.281 1.00 43.03 MOLA

ATOM 46 C ASP 26 13.949 4.622 18.704 1.00 32.98 MOLA

ATOM 47 O ASP 26 13.121 5.526 18.633 1.00 33.85 MOLA

ATOM 48 N ASP 27 13.909 3.685 19.657 1.00 30.83 MOLA

ATOM 49 CA ASP 27 12.914 3.702 20.726 1.00 30.73 MOLA

ATOM 50 CB ASP 27 12.723 2.302 21.335 1.00 30.84 MOLA

ATOM 51 CG ASP 27 11.928 1.372 20.444 1.00 33.05 MOLA

ATOM 52 OD1 ASP 27 12.072 0.137 20.580 1.00 34.38 MOLA

ATOM 53 OD2 ASP 27 11.147 1.877 19.619 1.00 ύ Δ *

MOLA

ATOM 54 C ASP 27 13.363 4.646 21.846 1.00 30.32 MOLA

ATOM 55 O ASP 27 12.699 4.748 22.876 1.00 31.14 MOLA

ATOM 56 N ILE 28 14.491 5.313 21.647 1.00 29.04 MOLA

ATOM 57 CA I Ξ 28 15.034 6.243 22.647 1.00 27.84 MOLA

ATOM 58 CB ILE 28 16.536 5.863 23.016 1.00 27.48 MOLA

ATOM 59 CG2 ILΞ 28 17.274 7.072 23.571 1.00 27.61 MOLA

ATOM 60 CGI ILE 28 16.593 4.835 24.172 1.00 28.47 MOLA

ATOM 61 CD1 ILΞ 28 15.889 3.535 23.995 1.00 28.09 MOLA

ATOM 62 C ILΞ 28 14.958 7.690 22.126 1.00 28.41 MOLA

ATOM 63 O ILE 28 15.363 7.983 20.994 1.00 28.96 MOLA

ATOM 64 N THR 29 14.384 8.577 22.940 1.00 30.06 MOLA

ATOM 65 CA THR 29 14.289 9.999 22.604 1.00 30.63 MOLA

ATOM 66 CB THR 29 12.835 10.469 22.334 1.00 31.49 MOLA

ATOM 67 OG1 THR 29 12.273 9.707 21.265 1.00 32.68 MOLA

ATOM 68 CG2 THR 29 12.814 11.955 21.932 1.00 33.72 MOLA

ATOM 69 C THR 29 14.800 10.820 23.783 1.00 29.92 MOLA

ATOM 70 O THR 29 14.247 10.747 24.881 1.00 29.66 MOLA

ATOM 71 N PHE 30 15.854 11.597 23.555 1.00 31.00 MOLA

ATOM 72 CA PHE 30 16.399 12.445 24.614 1.00 30.71 MOLA

ATOM 73 CB PHE 30 17.695 13.160 24.170 1.00 29.19 MOLA

ATOM 74 CG PHE 30 18.925 12.286 24.161 1.00 27.75 MOLA ATOM 75 CD1 PHE 30 19,,531 11..921 22..955 1.00 29..87 MOLA

ATOM 76 CD2 PHE 30 19. ,504 11. ,863 25. .358 1.00 29. ,41 MOLA

ATOM 77 CE1 PHE 30 20. ,702 11. ,150 22. .938 1.00 27. .93 MOLA

ATOM 78 CE2 PHE 30 20. ,679 11. ,092 25. .357 1.00 30. ,95 MOLA

ATOM 79 CZ PHE 30 21. ,278 10. ,737 24. .146 1.00 30. .11 MOLA

ATOM 80 C PHE 30 15. ,370 13. .539 24. .895 1.00 31. .38 MOLA

ATOM 81 O PHE 30 14. .629 13. ,963 23, .986 1.00 30. .21 MOLA

ATOM 82 N VAL 31 15. .319 13. .980 26, .148 1.00 29. .78 MOLA

ATOM 83 CA VAL 31 14. .445 15. .080 26, .526 1.00 31. .54 MOLA

ATOM 84 CB VAL 31 14, ,180 15, .085 28, .051 1.00 30. .37 MOLA

ATOM 85 CGI VAL 31 13. .446 16. .370 28, .455 1.00 32. .01 MOLA

ATOM 86 CG2 VAL 31 13, ,332 13, ,870 28. .429 1.00 30, .55 MOLA

ATOM 87 C VAL 31 15. ,213 16. .351 26. .121 1.00 32. .37 MOLA

ATOM 88 O VAL 31 16. .352 16. .553 26. .538 1.00 32. .90 MOLA

ATOM 89 N HIS 32 14. .594 17. ,180 25. .284 1.00 31. .54 MOLA

ATOM 90 CA HIS 32 15, .206 18, .417 24. .810 1.00 33. .20 MOLA

ATOM 91 CB HIS 32 14, .263 19. .102 23. .813 1.00 33, .16 MOLA

ATOM 92 CG HIS 32 14. .757 20. .428 23, .314 1.00 34, .84 MOLA

ATOM 93 CD2 HIS 32 14, .207 21. .664 23, .382 1.00 31, .95 MOLA

ATOM 94 ND1 HIS 32 15. .958 20. .580 22, .656 1.00 33, .87 MOLA

ATOM 95 CE1 HIS 32 16. .129 21, .853 22, .341 1.00 34, .69 MOLA

ATOM 96 NΞ2 HIS 32 15. .079 22, .532 22. .769 1.00 33. .84 MOLA

ATOM 97 C HIS 32 15. ,554 19. .390 25. .935 1.00 32. .47 MOLA

ATOM 98 O HIS 32 14. .749 19, .626 26. .848 1.00 33. .71 MOLA

ATOM 99 N VAL 33 16. .762 19, ,938 25. .863 1.00 32. .12 MOLA

ATOM 100 CA VAL 33 17, .266 20. .899 26. .843 1.00 34. .65 MOLA

ATOM 101 CB VAL 33 18, .702 20. ,509 27, .306 1.00 36. .56 MOLA

ATOM 102 CGI VAL 33 19, .271 21. .561 28. .254 1.00 36. .73 MOLA

ATOM 103 CG2 VAL 33 18. .649 19. .164 28. .012 1.00 35. .76 MOLA

ATOM 104 C VAL 33 17, .290 22, .249 26, .135 1.00 34, .14 MOLA

ATOM 105 O VAL 33 18, .019 22, .429 25, .166 1.00 32, .85 MOLA

ATOM 106 N SER 34 16. .471 23, .183 26, .618 1.00 33, .04 MOLA

ATOM 107 CA SER 34 16, .368 24, .517 26, .020 1.00 33. .03 MOLA

ATOM 108 CB SER 34 15, .068 25. .178 26. .489 1.00 33. > 5δ MOLA

ATOM 109 OG SER 34 13, .943 24. .507 25, .933 1.00 36. .77 MOLA

ATOM 110 C SER 34 17, .531 25. .469 26 .305 1.00 33, .32 MOLA

ATOM 111 O SER 34 17, .858 26, .322 25 .472 1.00 33, .99 MOLA

ATOM 112 N LEU 35 18, .131 25, .313 27 .483 1.00 34, .18 MOLA

ATOM 113 CA LEU 35 19, .231 26, .154 27 .962 1.00 36, .13 MOLA

ATOM 114 CB LEU 35 18 .734 26, .985 29 .144 1.00 36, .41 MOLA

ATOM 115 CG LEU 35 17 .482 27, .830 28 .879 1.00 36, .38 MOLA

ATOM 116 CD1 LEU 35 16, .546 27. .762 30, .104 1.00 35. .20 MOLA

ATOM 117 CD2 LEU 35 17, .887 29. .267 28 .574 1.00 35. .77 MOLA

ATOM 118 C LEU 35 20 .427 25, .296 28 .405 1.00 36, .37 MOLA

ATOM 119 O LEU 35 20 .755 25, .222 29 .588 1.00 35, .16 MOLA

ATOM 120 N PRO 36 21 .091 24, .632 27 .452 1.00 35, .70 MOLA

ATOM 121 CD PRO 36 20 .921 24, .755 25 .998 1.00 34, .13 MOLA

ATOM 122 CA PRO 36 22 .242 23 .786 27 .778 1.00 38, .14 MOLA

ATOM 123 CB PRO 36 22 .651 23 .234 26 .417 1.00 35, .70 MOLA

ATOM 124 CG PRO 36 22 .268 24 .297 25 .486 1.00 36 .09 MOLA

ATOM 125 C PRO 36 23 .373 24 .521 28 .515 1.00 41 .18 MOLA

ATOM 126 O PRO 36 24 .102 23 .913 29 .293 1.00 42 .58 MOLA

ATOM 127 N ASP 37 23 .524 25 .820 28 .278 1.00 43, .72 MOLA

ATOM 128 CA ASP 37 24 .556 26 .595 28 .987 1.00 46 .09 MOLA

ATOM 129 CB ASP 37 24 .216 26 .684 30 .478 1.00 47 .92 MOLA ATOM 130 CG ASP 37 25.,031 27.753 31..204 1.00 52.,65 MOLA

ATOM 131 OD1 ASP 37 25. 293 27. 590 32. ,422 1.00 49. 54 MOLA

ATOM 132 OD2 ASP 37 25. 390 28. 760 30. ,549 1.00 54. 17 MOLA

ATOM 133 C ASP 37 25. 922 25. 934 28. ,855 1.00 47. 68 MOLA

ATOM 134 O ASP 37 26. 665 25. 826 29. ,831 1.00 48. 48 MOLA

ATOM 135 N LEU 38 26. 256 25. 500 27. ,650 1.00 47. 68 MOLA

ATOM 136 CA LEU 38 27. ,521 24. ,828 27. ,436 1.00 48. 22 MOLA

ATOM 137 CB LEU 38 27. ,289 23. ,314 27. ,482 1.00 48. ,93 MOLA

ATOM 138 CG LEU 38 28. ,249 22. .418 28. ,264 1.00 51. 28 MOLA

ATOM 139 CD1 LEU 38 27. ,851 20. .954 28. ,042 1.00 48. ,08 MOLA

ATOM 140 CD2 LEU 38 29. ,673 22. ,655 27. .807 1.00 50. ,74 MOLA

ATOM 141 C LEU 38 28. 111 25. .213 26. .093 1.00 48. ,04 MOLA

ATOM 142 O LEU 38 27. .389 25. .367 25. .105 1.00 47. .93 MOLA

ATOM 143 N ALA 39 29. ,430 25. .384 26. .059 1.00 49. .83 MOLA

ATOM ' 144 CA ALA 39 30. ,121 25. .716 24. .813 1.00 49. ,29 MOLA

ATOM 145 CB ALA 39 31. ,184 26. .794 25. .055 1.00 49. ,85 MOLA

ATOM 146 C ALA 39 30. .778 24. .434 24. .312 1.00 48. ,74 MOLA

ATOM 147 O ALA 39 31. .298 23. .652 25. .101 1.00 48. ,25 MOLA

ATOM 148 N LEU 40 30. .742 24. .236 22. .999 1.00 49. .61 MOLA

ATOM 149 CA LEU 40 31. .308 23. .062 22. .353 1.00 52. .32 MOLA

ATOM 150 CB LEU 40 31. .280 23. .247 20. .836 1.00 53. .60 MOLA

ATOM 151 CG LEU 40 31. ,884 22. .120 19. .995 1.00 55. ,59 MOLA

ATOM 152 CD1 LEU 40 30. .847 21. .038 19. .739 1.00 54. .90 MOLA

ATOM 153 CD2 LEU 40 32. .369 22. .702 18. .674 1.00 56. .10 MOLA

ATOM 154 C LEU 40 32. .733 22. .740 22. .795 1.00 53. .13 MOLA

ATOM 155 O LEU 40 33. .117 21, .574 22. .825 1.00 53. .71 MOLA

ATOM 156 N GLU 41 33. .504 23, .769 23. .150 1.00 54. .08 MOLA

ATOM 157 CA GLU 41 34. .896 23, .600 23. .579 1.00 55. ,04 MOLA

ATOM 158 CB GLU 41 35. .675 24. .920 23. .423 1.00 58. .61 MOLA

ATOM 159 CG GLU 41 34. .821 26, .147 23. .089 1.00 62. .46 MOLA

ATOM 160 CD GLU 41 34, .207 26, .054 21. .699 1.00 65. .94 MOLA

ATOM 161 OE1 GLU 41 34. .971 25, .829 20. .727 1.00 66. .48 MOLA

ATOM 162 OΞ2 GLU 41 32. .966 26, .203 21. .577 1.00 65, .22 MOLA

ATOM 163 C GLU 41 35,i Q v 23, .097 25, .008 1.00 53. .79 MOLA^'

ATOM 164 O GLU 41 36, .162 22 .699 25, .401 1.00 53, .14 MOLA

ATOM 165 N GLN 42 33, .998 23 .124 25, .794 1.00 51. .86 MOLA

ATOM 166 CA GLN 42 34, .080 22 .651 27, .173 1.00 50, .20 MOLA

ATOM 167 CB GLN 42 33, .112 23 .430 28, .061 1.00 51, .79 MOLA

ATOM 168 CG GLN 42 33 .128 24 .935 27 .844 1.00 55, .41 MOLA

ATOM 169 CD GLN 42 32 .230 25 .662 28 .832 1.00 56, .54 MOLA

ATOM 170 OΞ1 GLN 42 32 .600 25 .859 29 .993 1.00 60 .35 MOLA

ATOM 171 NΞ2 GLN 42 31, .041 26 .051 28, .383 1.00 54, .09 MOLA

ATOM 172 C GLN 42 33, .738 21 .159 27, .265 1.00 48, .49 MOLA

ATOM 173 O GLN 42 33 .896 20 .534 28 .320 1.00 46, .48 MOLA

ATOM 174 N VAL 43 33 .274 20 .589 26 .159 1.00 46, .15 MOLA

ATOM 175 CA VAL 43 32 .890 19 .187 26 .161 1.00 45, .30 MOLA

ATOM 176 CB VAL 43 32 .020 18 .854 24 .938 1.00 44 .49 MOLA

ATOM 177 CGI VAL 43 31 .651 17 .379 24 .948 1.00 42 .79 MOLA

ATOM 178 CG2 VAL 43 30 .768 19 .708 24 .958 1.00 45 .56 MOLA

ATOM 179 C VAL 43 34 .074 18 .230 26 .208 1.00 44 .72 MOLA

ATOM 180 O VAL 43 34 .987 18 .313 25 .382 1.00 45 .67 MOLA

ATOM 181 N ASP 44 34 .043 17 .334 27 .189 1.00 44 .43 MOLA

ATOM 182 CA ASP 44 35 .077 16 .319 27 .389 1.00 45 .15 MOLA

ATOM 183 CB ASP 44 35 .547 16 .339 28 .847 1.00 47 .51 MOLA

ATOM 184 CG ASP 44 36 .452 15 .161 29 .192 1.00 50 .15 MOLA ATOM 185 OD1 ASP 44 37.137 14.652 28.297 1.00 53.71 MOLA

ATOM 186 OD2 ASP 44 36.483 14.744 30.363 1.00 55.64 MOLA

ATOM 187 C ASP 44 34.521 14.926 27.061 1.00 45.00 MOLA

ATOM 188 O ASP 44 33.610 14.439 27.736 1.00 44.31 MOLA

ATOM 189 N ILE 45 35.081 14.270 26.050 1.00 43.53 MOLA

ATOM 190 CA ILE 45 34.592 12.947 25.679 1.00 42.43 MOLA

ATOM 191 CB ILΞ 45 34.419 12.825 24.155 1.00 42.45 MOLA

ATOM 192 CG2 ILΞ 45 33.325 13.760 23.679 1.00 42.54 MOLA

ATOM 193 CGI ILΞ 45 35.738 13.145 23.449 1.00 42.51 MOLA

ATOM 194 CD1 ILΞ 45 35.713 12.766 21.974 1.00 42.12 MOLA

ATOM 195 C ILΞ 45 35.459 11.791 26.171 1.00 43.13 MOLA

ATOM 196 O ILΞ 45 35.329 10.655 25.701 1.00 41.89 MOLA

ATOM 197 N SΞR 46 36.340 12.064 27.123 1.00 42.71 MOLA

ATOM 198 CA SΞR 46 37.192 11.009 27.647 1.00 44.31 MOLA

ATOM 199 CB SΞR 46 38.310 11.603 28.511 1.00 44.74 MOLA

ATOM 200 OG SΞR 46 37.793 12.282 29.627 1.00 49.27 MOLA

ATOM 201 C SΞR 46 36.327 10.041 28.447 1.00 44.09 MOLA

ATOM 202 O SΞR 46 35.295 10.429 29.005 1.00 43.77 MOLA

ATOM 203 N THR 47 36.733 8.779 28.503 1.00 41.69 MOLA

ATOM 204 CA THR 47 35.941 7.782 29.215 1.00 43.14 MOLA

ATOM 205 CB THR 47 34.895 7.129 28.255 1.00 41.47 MOLA

ATOM 206 OG1 THR 47 33.974 6.331 29.013 1.00 39.15 MOLA

ATOM 207 CG2 THR 47 35.599 6.225 27.214 1.00 40.19 MOLA

ATOM 208 C THR 47 36.809 6.679 29.819 1.00 45.03 MOLA

ATOM 209 O THR 47 38.035 6.758 29.801 1.00 44.95 MOLA

ATOM 210 N LYS 48 36.163 5.642 30.338 1.00 47.52 MOLA

ATOM 211 CA LYS 48 36.885 4.527 30.930 1.00 49.23 MOLA

ATOM 212 CB LYS 48 36.972 4.703 32.451 1.00 52.29 MOLA

ATOM 213 CG LYS 48 37.856 5.868 32.846 1.00 57.48 MOLA

ATOM 214 CD LYS 48 38.045 5.974 34.348 1.00 61.87 MOLA

ATOM 215 CΞ LYS 48 39.257 6.851 34.661 1.00 63.78 MOLA

ATOM 216 NZ LYS 48 39.250 8.125 33.867 1.00 65.80 MOLA

ATOM 217 C LYS 48 36.302 3.161 30.616 1.00 49.44 MOLA

ATOM 218 O LYS 48 35.088 2.972 30.587 1.00 49.51 MOLA

ATOM 219 N ILΞ 49 37.186 2.205 30.369 1.00 48.85 MOLA

ATOM 220 CA ILΞ 49 36.782 0.845 30.100 1.00 51.09 MOLA

ATOM 221 CB ILΞ 49 37.288 0.360 28.721 1.00 50.78 MOLA

ATOM 222 CG2 ILΞ 49 36.938 -1.112 28.535 1.00 50.67 MOLA

ATOM 223 CGI ILΞ 49 36.687 1.226 27.617 1.00 50.52 MOLA

ATOM 224 CD1 ILΞ 49 37.284 0.986 26.249 1.00 53.04 MOLA

ATOM 225 C ILΞ 49 37.445 0.034 31.201 1.00 52.59 MOLA

ATOM 226 O ILΞ 49 38.616 -0.327 31.101 1.00 52.59 MOLA

ATOM 227 N GLY 50 36.696 -0.243 32.261 1.00 54.45 MOLA

ATOM 228 CA GLY 50 37.268 -0.979 33.367 1.00 55.96 MOLA

ATOM 229 C GLY 50 38.299 -0.054 33.993 1.00 55.17 MOLA

ATOM 230 O GLY 50 37.957 1.046 34.398 1.00 55.62 MOLA

ATOM 231 N GLU 51 39.560 -0.475 34.028 1.00 56.30 MOLA

ATOM 232 CA GLU 51 40.623 0.330 34.613 1.00 56.10 MOLA

ATOM 233 CB GLU 51 41.609 -0.591 35.351 1.00 60.51 MOLA

ATOM 234 CG GLU 51 42.708 0.125 36.140 1.00 66.75 MOLA

ATOM 235 CD GLU 51 43.491 -0.808 37.081 1.00 69.23 MOLA

ATOM 236 OE1 GLU 51 44.105 -1.795 36.602 1.00 70.35 MOLA

ATOM 237 OE2 GLU 51 43.494 -0.542 38.308 1.00 70.77 MOLA

ATOM 238^' C GLU 51 41.352 1.179 33.572 1.00 54.00 MOLA

ATOM 239 O GLU 51 42.165 2.032 33.916 1.00 52.53 MOLA ATOM 240 N LEU 52 41.052 0.947 32.297 1.00 51.59 MOLA

ATOM 241 CA LΞU 52 41.678 1. 694 31.209 1.00 48 . 92 MOLA

ATOM 242 CB LEU 52 41.585 0 .927 29.892 1.00 48.03 MOLA

ATOM 243 CG LΞU 52 42.486 -0.268 29.683 1.00 47 .76 MOLA

ATOM 244 CD1 LΞU 52 42.179 -0.844 28.298 1.00 44.98 MOLA

ATOM 245 CD2 LEU 52 43.950 0.155 29.803 1.00 44.91 MOLA

ATOM 246 C LEU 52 41.050 3.048 30.983 1.00 47.87 MOLA

ATOM 247 O LΞU 52 39.845 3.223 31.138 1.00 47.17 MOLA

ATOM 248 N SER 53 41.872 4. 002 30.577 1.00 48.17 MOLA

ATOM 249 CA SΞR 53 41.394 5.346 30.311 1. 00 49.17, MOLA

ATOM 250 CB SΞR 53 42.198 6 .372 31.124 1.00 49.95 MOLA

ATOM 251 OG SΞR 53 42.036 6 .152 32.515 1. 00 51. 80 MOLA

ATOM 252 C SΞR 53 41. 552 5 .625 28 . 835 1.00 48.72 MOLA

ATOM 253 O SΞR 53 42 . 611 5 .371 28.252 1.00 50.66 MOLA

ATOM 254 N SΞR 54 40.497 6 .144 28.223 1.00 46.55 MOLA

ATOM 255 CA SΞR 54 40.524 6.459 26.804 1.00 44.68 MOLA

ATOM 256 CB SΞR 54 39.620 5.474 26.048 1.00 44.53 MOLA

ATOM 257 OG SΞR 54 39.613 5.772 24.666 1.00 42.82 MOLA

ATOM 258 C SΞR 54 40.088 7.897 26.517 1.00 43.52 MOLA

ATOM 259 O SΞR 54 39.140 8.404 27.098 1.00 44.97 MOLA

ATOM 260 N SΞR 55 40.785 8.550 25.611 1. 00 42.37 MOLA

ATOM 261 CA SΞR 55 40.450 9.908 25.249 1.00 42.36 MOLA

ATOM 262 CB SΞR 55 41.638 10.562 24.551 1.00 44.26 MOLA

ATOM 263 OG SΞR 55 41.942 9.871 23.345 1.00 45.93 MOLA

ATOM 264 C SΞR 55 39.232 9.953 24.322 1.00 41.09 MOLA

ATOM 265 O SΞR 55 38.680 11.025 24.054 1. 00 41.44 MOLA

ATOM 266 N SΞR 56 38.826 8.793 23.816 1.00 40.40 MOLA

ATOM 267 CA SΞR 56 37.674 8.703 22.917 1. 00 38.43 MOLA

ATOM 268 CB SΞR 56 38.134 8.341 21.501 1.00 39.54 MOLA

ATOM 269 OG SΞR 56 37.042 7.904 20.686 1.00 38.14 MOLA

ATOM 270 C SΞR 56 36 . 662 7.660 23.382 1. 00 36.60 MOLA

ATOM 271 O SΞR 56 37.032 6 . 633 23.957 1.00 37.03 MOLA

ATOM 272 N PRO 57 35.361 7 . 926 23.158 1. 00 34.54 MOLA

ATOM 273 CD PRO 57 34.806 9 .267 22 • 882 1. 00 jj « / MOLA

ATOM 274 CA PRO 57 34 .294 6.999 23.547 1.00 34 . 66 MOLA

ATOM 275 CB PRO 57 33.164 7.944 23.967 1. 00 32.43 MOLA

ATOM 276 CG PRO 57 33.290 9.039 23.018 1.00 32 .31 MOLA

ATOM 277 C PRO 57 33.927 6.122 22.332 1.00 34 .11 MOLA

ATOM 278 O PRO 57 32.940 5.381 22.341 1. 00 32 . 99 MOLA

ATOM 279 N ILΞ 58 34.738 6.217 21.281 1. 00 32.75 MOLA

ATOM 280 CA ILΞ 58 34.519 5 .426 20.072 1. 00 32.54 MOLA

ATOM 281 CB ILΞ 58 34.059 6 .327 18.912 1.00 35.56 MOLA

ATOM 282 CG2 ILΞ 58 33.983 5. 540 17.618 1.00 34.87 MOLA

ATOM 283 CGI ILΞ 58 32.702 6.937 19.254 1.00 35.28 MOLA

ATOM 284 CD1 ILΞ 58 32.235 7 . 970 18.255 1.00 41.14 MOLA

ATOM 285 C ILE 58 35.807 4.720 19.676 1. 00 31.58 MOLA

ATOM 286 O ILΞ 58 36.875 5.322 19.711 1.00 31.22 MOLA

ATOM 287 N PHΞ 59 35.725 3.432 19.359 1.00 31.23 MOLA

ATOM 288 CA PHΞ 59 36.926 2.731 18.920 1.00 32.00 MOLA

ATOM 289 CB PHE 59 37.439 1.739 19.981 1.00 30.37 MOLA

ATOM ^'290 CG PHE 59 36.533 0.556 20.233 1.00 33.34 MOLA

ATOM 291 CD1 PHE 59 36.653 -0.602 19.479 1.00 31.48 MOLA

ATOM 292 CD2 PHΞ 59 35.556 0.609 21.231 1.00 35.45 MOLA

ATOM 293 CΞ1 PHE 59 35.822 -1.700 19.700 1.00 33.12 MOLA

ATOM 294 CΞ2 PHΞ 59 34.712 - 0 .490 21.465 1.00 37.52 MOLA ATOM 295 CZ PHΞ 59 34.849 -1.647 20.693 1.00 33.54 MOLA

ATOM 296 C PHΞ 59 36.664 2.035 17.596 1.00 30.99 MOLA

ATOM 297 O PHE 59 35.515 1.859 17.183 1.00 31.57 MOLA

ATOM 298 N ILΞ 60 37.745 1.665 16.922 1.00 31.47 MOLA

ATOM 299 CA ILE 60 37.662 0.994 15.635 1.00 33.29 MOLA

ATOM 300 CB ILΞ 60 38.881 1.331 14.735 1.00 35.99 MOLA

ATOM 301 CG2 ILE 60 38.737 0.621 13.367 1.00 37.89 MOLA

ATOM 302 CGI ILΞ 60 39.015 2.828 14.553 1.00 38.42 MOLA

ATOM 303 CD1 ILE 60 40.370 3.207 13.919 1.00 40.95 MOLA

ATOM 304 C ILΞ 60 37.692 -0.505 15.811 1.00 34.03 MOLA

ATOM 305 O ILE 60 38.559 -1.025 16.507 1.00 34.74 MOLA

ATOM 306 N ASN 61 36.749 -1.190 15.179 1.00 35.85 MOLA

ATOM 307 CA ASN 61 36.676 -2.647 15.182 1.00 38.46 MOLA

ATOM 308 CB ASN 61 35.235 -3.107 15.335 1.00 41.99 MOLA

ATOM 309 CG ASN 61 34.872 -3.412 16.756 1.00 45.53 MOLA

ATOM 310 OD1 ASN 61 33.781 -3.068 17.215 1.00 46.68 MOLA

ATOM 311 ND2 ASN 61 35.778 -4.080 17.467 1.00 45.36 MOLA

ATOM 312 C ASN 61 37.171 -3.130 13.816 1.00 41.35 MOLA

ATOM 313 O ASN 61 36.441 -3.056 12.821 1.00 42.00 MOLA

ATOM 314 N ALA 62 38.399 -3.620 13.750 1.00 42.33 MOLA

ATOM 315 CA ALA 62 38.926 -4.122 12.486 1.00 44.84 MOLA

ATOM 316 CB ALA 62 40.434 -4.272 12.579 1.00 41.27 MOLA

ATOM 317 C ALA 62 38.295 -5.475 12.142 1.00 48.24 MOLA

ATOM 318 O ALA 62 37.797 -6.177 13.020 1.00 48.52 MOLA

ATOM 319 N MET 63 38.289 -5.830 10.862 1.00 52.05 MOLA

ATOM 320 CA MET 63 37.769 -7.134 10.460 1.00 55.82 MOLA

ATOM 321 CB MET 63 36.996 -7.052 9.144 1.00 59.64 MOLA

ATOM 322 CG MET 63 35.751 -6.195 9.194 1.00 66.07 MOLA

ATOM 323 SD MET 63 34.697 -6.450 7.735 1.00 74.49 MOLA

ATOM 324 CΞ MET 63 35.861 -6.131 6.379 1.00 69.42 MOLA

ATOM 325 C MΞT 63 38.945 -8.084 10.276 1.00 56.07 MOLA

ATOM 326 O MET 63 40.091 -7.656 10.065 1.00 55.00 MOLA

ATOM 327 N THR 64 38.664 -9.380 10.348 1.00 57.10 MOLA

ATOM 328 CA THR 64 39.707 -10.382 10.176 1.00 57.56 MOLA

ATOM 329 CB THR 64 39.154 -11.798 10.454 1.00 59.59 MOLA

ATOM 330 OG1 THR 64 38.404 -11.778 11.681 1.00 60.63 MOLA

ATOM 331 CG2 THR 64 40.304 -12.807 10.586 1.00 59.44 MOLA

ATOM 332 C THR 64 40.251 -10.303 8.749 1.00 56.47 MOLA

ATOM 333 O THR 64 41.446 -10.480 8.528 1.00 56.81 MOLA

ATOM 334 N GLY 65 39.371 -10.022 7.787 1.00 56.11 MOLA

ATOM 335. CA GLY 65 39.792 -9.913 6.396 1.00 55.27 MOLA

ATOM 336 C GLY 65 40.171 -11.233 5.739 1.00 54.90 MOLA

ATOM 337 O GLY 65 39.957 -12.303 6.313 1.00 54.08 MOLA

ATOM 338 N GLY 66 40.743 -11.157 4.538 1.00 53.93 MOLA

ATOM 339 CA GLY 66 41.136 -12.358 3.814 1.00 54.06 MOLA

ATOM 340 C GLY 66 42.587 -12.769 4.013 1.00 54.91 MOLA

ATOM 341 O GLY 66 43.084 -13.702 3.366 1.00 54.43 MOLA

ATOM 342 N GLY 67 43.278 -12.078 4.912 1.00 52.64 MOLA

ATOM 343 CA GLY 67 44.668 -12.404 5.164 1.00 51.87 MOLA

ATOM 344 C GLY 67 45.567 -11.855 4.076 1.00 50.11 MOLA

ATOM 345 O GLY 67 45.175 -10.966 3.314 1.00 51.87 MOLA

ATOM 346 N GLY 68 46.777 -12.382 3.997 1.00 48.53 MOLA

ATOM 347 CA GLY 68 47.702 -11.912 2.987 1.00 46.11 MOLA

ATOM 348 C GLY 68 48.182 -10.504 3.290 1.00 45.00 MOLA

ATOM 349 O GLY 68 47.884 -9.944 4.349 1.00 41.52 MOLA ATOM 350 N LYS 69 48.921 -9.932 2.345 1.00 43.32 MOLA

ATOM 351 CA LYS 69 49.463 -8.594 2.487 1.00 42.78 MOLA

ATOM 352 CB LYS 69 50.479 -8.311 1.369 1.00 45.27 MOLA

ATOM 353 CG LYS 69 51.931 -8.280 1.834 1.00 50.99 MOLA

ATOM 354 CD LYS 69 52.102 -7.332 3.018 1.00 52.39 MOLA

ATOM 355 CΞ LYS 69 53.565 -7.043 3.337 1.00 54.71 MOLA

ATOM 356 NZ LYS 69 54.176 -6.034 2.411 1.00 56.24 MOLA

ATOM 357 C LYS 69 48.384 -7.527 2.477 1.00 39.82 MOLA

ATOM 358 O LYS 69 48.600 -6.417 2.952 1.00 39.26 MOLA

ATOM 359 N LΞU 70 47.219 -7.849 1.930 1.00 38.59 MOLA

ATOM 360 CA LΞU 70 46.142 -6.863 1.907 1.00 37.87 MOLA

ATOM 361 CB LΞU 70 44.987 -7.349 1.020 1.00 36.79 MOLA

ATOM 362 CG LΞU 70 43.725 -6.489 0.955 1.00 37.99 MOLA

ATOM 363 CD1 LΞU 70 44.074 -5.100 0.474 1.00 38.91 MOLA

ATOM 364 CD2 LΞU 70 42.708 -7.145 0.005 1.00 39.34 MOLA

ATOM 365 C LΞU 70 45.667 -6.633 3.354 1.00 34.99 MOLA

ATOM 366 O LΞU 70 45.498 -5.505 3.775 1.00 34.16 MOLA

ATOM 367 N THR 71 45.452 -7.703 4.105 1.00 36.41 MOLA

ATOM 368 CA THR 71 45.022 -7.552 5.499 1.00 37.50 MOLA

ATOM 369 CB THR 71 44.692 -8.925 6.146 1.00 38.00 MOLA

ATOM 370 OG1 THR 71 43.433 -9.375 5.643 1.00 39.80 MOLA

ATOM 371 CG2 THR 71 44.608 -8.819 7.668 1.00 38.39 MOLA

ATOM 372 C THR 71 46.135 -6.839 6.285 1.00 35.80 MOLA

ATOM 373 O THR 71 45.865 -6.026 7.165 1.00 33.89 MOLA

ATOM 374 N TYR 72 47.386 -7.132 5.942 1.00 35.64 MOLA

ATOM 375 CA TYR 72 48.530 -6.485 6.588 1.00 33.46 MOLA

ATOM 376 CB TYR 72 49.824 -7.007 5.959 1.00 35.09 MOLA

ATOM 377 CG TYR 72 51.075 -6.312 6.438 1.00 34.26 MOLA

ATOM 378 GDI TYR 72 51.798 -6.800 7.526 1.00 36.28 MOLA

ATOM 379 CΞ1 TYR 72 52.965 -6.181 7.946 1.00 37.51 MOLA

ATOM 380 CD2 TYR 72 51.550 -5.182 5.789 1.00 36.71 MOLA

ATOM 381 CΞ2 TYR 72 52.716 -4.553 6.200 1.00 40.60 MOLA

ATOM 382 CZ TYR 72 53.419 -5.064 7.284 1.00 40.40 MOLA

ATOM JOJ OH TYR 72 54.564 -4.427 7.699 1.00 42.47 MOLA

ATOM 384 C TYR 72 48.464 -4.963 6.423 1.00 33.47 MOLA

ATOM 385 O TYR 72 48.613 -4.199 7.386 1.00 31.09 MOLA

ATOM 386 N GLU 73 48.231 -4.503 5.194 1.00 31.38 MOLA

ATOM 387 CA GLU 73 48.179 -3.062 4.948 1.00 31.53 MOLA

ATOM 388 CB GLU 73 48.278 -2.761 3.446 1.00 33.52 MOLA

ATOM 389 CG GLU 73 49.564 -3.237 2.816 1.00 32.11 MOLA

ATOM 390 CD GLU 73 50.790 -2.414 3.224 1.00 32.65 MOLA

ATOM 391 OΞ1 GLU 73 51.899 -2.885 2.935 1.00 35.23 MOLA

ATOM 392 OΞ2 GLU 73 50.652 -1.311 3.806 1.00 35.24 MOLA

ATOM 393 C GLU 73 46.939 -2.408 5.514 1.00 30.91 MOLA

ATOM 394 O GLU 73 46.981 -1.256 5.951 1.00 31.61 MOLA

ATOM 395 N ILΞ 74 45.825 -3.133 5.503 1.00 31.66 MOLA

ATOM 396 CA ILΞ 74 44.602 -2.584 6.074 1.00 29.79 MOLA

ATOM 397 CB ILΞ 74 43.428 -3.569 5.899 1.00 30.45 MOLA

ATOM 398 CG2 ILE 74 42.278 -3.200 6.863 1.00 30.04 MOLA

ATOM 399 CGI ILE 74 42.971 -3.558 4.423 1.00 30.76 MOLA

ATOM 400 CD1 ILΞ 74 41.846 -4.553 4.128 1.00 30.96 MOLA

ATOM 401 C ILΞ 74 44.879 -2.369 7.570 1.00 28.89 MOLA

ATOM 402 O ILΞ 74 44.624 -1.285 8.107 1.00 28.53 MOLA

ATOM 403 N ASN 75 45.414 -3.399 8.233 1.00 30.09 MOLA

ATOM 404 CA ASN 75 45.714 -3.286 9.673 1.00 31.55 MOLA ATOM 405 CB ASN 75 46.193 -4.630 10.243 1.00 30.81 MOLA

ATOM 406 CG ASN 75 45.041 -5.586 10.483 1.00 34.91 MOLA

ATOM 407 OD1 ASN 75 43.873 -5.207 10.313 1.00 34.32 MOLA

ATOM 408 ND2 ASN 75 45.347 -6.819 10.886 1.00 32.35 MOLA

ATOM 409 C ASN 75 46.736 -2.187 9.945 1.00 32.21 MOLA

ATOM 410 O ASN 75 46.586 -1.405 10.890 1.00 31.46 MOLA

ATOM 411 N LYS 76 47.765 -2.096 9.111 1.00 31.73 MOLA

ATOM 412 CA LYS 76 48.760 -1.050 9.319 1.00 32.17 MOLA

ATOM 413 CB LYS 76 49.893 -1.215 8.301 1.00 33.85 MOLA

ATOM 414 CG LYS 76 50.922 -0.101 8.301 1.00 34.50 MOLA

ATOM 415 CD LYS 76 52.028 -0.442 7.322 1.00 35.63 MOLA

ATOM 416 CΞ LYS 76 53.091 0.643 7.282 1.00 40.23 MOLA

ATOM 417 NZ LYS 76 54.182 0.272 6.332 1.00 40.00 MOLA

ATOM 418 C LYS 76 48.109 0.335 9.210 1.00 34.52 MOLA

ATOM 419 O LYS 76 48.385 1.227 10.030 1.00 33.41 MOLA

ATOM 420 N SΞR 77 47.229 0.527 8.219 1.00 32.39 MOLA

ATOM 421 CA SΞR 77 46.566 1.819 8.059 1.00 31.83 MOLA

ATOM 422 CB SΞR 77 45.795 1.873 6.727 1.00 34.42 MOLA

ATOM 423 OG SΞR 77 46.690 2.012 5.641 1.00 39.21 MOLA

ATOM 424 C SΞR 77 45.612 2.125 9.208 1.00 31.20 MOLA

ATOM 425 O SΞR 77 45.534 3.259 9.668 1.00 31.85 MOLA

ATOM 426 N LΞU 78 44.864 1.118 9.652 1.00 32.71 MOLA

ATOM 427 CA LΞU 78 43.939 1.320 10.777 1.00 30.79 MOLA

ATOM 428 CB LΞU 78 43.171 0.033 11.072 1.00 30.99 MOLA

ATOM 429 CG LΞU 78 42.094 -0.344 10.040 1.00 31.12 MOLA

ATOM 430 GDI LΞU 78 41.472 -1.693 10.389 1.00 31.41 MOLA

ATOM 431 CD2 LΞU 78 41.053 0.765 10.013 1.00 31.39 MOLA

ATOM 432 C LEU 78 44.747 1.729 12.011 1.00 30.35 MOLA

ATOM 433 O LΞU 78 44.359 2.636 12.741 1.00 30.83 MOLA

ATOM 434 N ALA 79 45.873 1.059 12.228 1.00 30.25 MOLA

ATOM 435 CA ALA 79 46.734 1.368 13.375 1.00 32.27 MOLA

ATOM 436 CB ALA 79 47.866 0.348 13.455 1.00 29.29 MOLA

ATOM 437 C ALA 79 47.296 2.793 13.270 1.00 33.74 MOLA

ATOM 438 O ALA 79 47.339 J _• Ja) J 14.263 1.00 34.22 MOLA

ATOM 439 N ARG 80 47.734 3.189 12.076 1.00 34.17 MOLA

ATOM 440 CA ARG 80 48.255 4.550 11.915 1.00 37.31 MOLA

ATOM 441 CB ARG 80 48.830 4.762 10.504 1.00 40.93 MOLA

ATOM 442 CG ARG 80 49.966 3.825 10.167 1.00 48.98 MOLA

ATOM 443 CD ARG 80 51.121 4.553 9.501 1.00 55.03 MOLA

ATOM 444 NΞ ARG 80 50.804 5.024 8.162 1.00 57.35 MOLA

ATOM 445 CZ ARG 80 51.245 6.172 7.655 1.00 61.42 MOLA

ATOM 446 NH1 ARG 80 52.017 6.969 8.390 1.00 62.14 MOLA

ATOM 447 NH2 ARG 80 50.927 6.520 6.408 1.00 61.69 MOLA

ATOM 448 C ARG 80 47.169 5.591 12.181 1.00 35.70 MOLA

ATOM 449 O ARG 80 47.405 6.575 12.877 1.00 36.54 MOLA

ATOM 450 N ALA 81 45.975 5.383 11.635 1.00 35.35 MOLA

ATOM 451 CA ALA 81 44.902 6.350 11.863 1.00 36.14 MOLA

ATOM 452 CB ALA 81 43.699 6.017 10.996 1.00 34.73 MOLA

ATOM 453 C ALA 81 44.507 6.383 13.351 1.00 36.92 MOLA

ATOM 454 O ALA 81 44.329 7.459 13.933 1.00 38.15 MOLA

ATOM 455 N ALA 82 44.394 5.208 13.973 1.00 37.45 MOLA

ATOM 456 CA ALA 82 44.039 5.132 15.393 1.00 37.35 MOLA

ATOM 457 CB ALA 82 43.988 3.661 15.852 1.00 34.79 MOLA

ATOM 458 C ALA 82 45.057 5.899 16.231 1.00 37.42 MOLA

ATOM 459 O ALA 82 44.700 6.629 17.149 1.00 37.82 MOLA ATOM 460 N SΞR 83 46.,329 5.727 15..900 1.00 38..46 MOLA

ATOM 461 CA SΞR 83 47. ,399 6.390 16. .629 1.00 39. ,53 MOLA

ATOM 462 CB SΞR 83 48. ,753 5.902 16. .123 1.00 40. .77 MOLA

ATOM 463 OG SΞR 83 49. ,803 6.601 16. .761 1.00 43. .63 MOLA

ATOM 464 C SΞR 83 47. ,330 7.914 16. .511 1.00 40. .83 MOLA

ATOM 465 O SΞR 83 47. ,538 8.630 17. .497 1.00 40. .53 MOLA

ATOM 466 N GLN 84 47. ,027 8.403 15. .313 1.00 40. .06 MOLA

ATOM 467 CA GLN 84 46. .958 9.839 15. .071 1.00 43. .07 MOLA

ATOM 468 CB GLN 84 47. ,059 10.119 13. .568 1.00 45. .17 MOLA

ATOM 469 CG GLN 84 48. .394 9.684 12. .978 1.00 50. .09 MOLA

ATOM 470 CD GLN 84 48. .453 9.812 11. .471 1.00 52. .39 MOLA

ATOM 471 OΞ1 GLN 84 49. .134 9.034 10. .802 1.00 53. .97 MOLA

ATOM 472 NΞ2 GLN 84 47. .756 10.803 10. .928 1.00 54. .59 MOLA

ATOM 473 C GLN 84 45. .702 10.480 15. .636 1.00 42. .83 MOLA

ATOM 474 O GLN 84 45. .746 11.601 16. .144 1.00 42. .30 MOLA

ATOM 475 N ALA 85 44. .584 9.765 15. .556 1.00 40. .62 MOLA

ATOM 476 CA ALA 85 43. .320 10.281 16. .066 1.00 40. .75 MOLA

ATOM 477 CB ALA 85 42. .155 9.592 15. .367 1.00 39. .86 MOLA

ATOM 478 C ALA 85 43. .196 10.092 17. .573 1.00 40. .26 MOLA

ATOM 479 O ALA 85 42. .340 10.702 18. .204 1.00 40. .09 MOLA

ATOM 480 N GLY 86 44. .039 9.229 18. .140 1.00 40. .75 MOLA

ATOM 481 CA GLY 86 43. .993 8.971 19. .571 1.00 37. .99 MOLA

ATOM 482 C GLY 86 42. .851 8.059 20. .002 1.00 37, .49 MOLA

ATOM 483 O GLY 86 42. .392 8.133 21, .142 1.00 39, .60 MOLA

ATOM 484 N ILΞ 87 42. .369 7.199 19. .111 1.00 34, .81 MOLA

ATOM 485 CA ILΞ 87 41. .292 6.305 19. .484 1.00 33, .04 MOLA

ATOM 486 CB ILΞ 87 40. .055 6.432 18. .548 1.00 36, .50 MOLA

ATOM 487 CG2 ILΞ 87 39. .691 7.914 18. .369 1.00 34, .74 MOLA

ATOM 488 CGI ILΞ 87 40. .317 5.788 17. .187 1.00 33, .54 MOLA

ATOM 489 CD1 ILΞ 87 39. .079 5.850 16, .306 1.00 35. .44 MOLA

ATOM 490 C ILΞ 87 41. .757 4.863 19, .531 1.00 31. .30 MOLA

ATOM^' 491 O ILΞ 87 42. .728 4.475 18. .875 1.00 31. .99 MOLA

ATOM 492 N PRO 88 41. .080 4.047 20, .340 1.00 29. .96 MOLA

ATOM 493 CD PRO 88 40. .132 4.448 21, .398 1.00 30, .37 MOLA

ATOM 494 CA PRO 88 41, .486 2.643 20, .434 1.00 29. .83 MOLA

ATOM 495 CB PRO 88 40. .785 2.138 21, .695 1.00 30. .87 MOLA

ATOM 496 CG PRO 88 39. .730 3.169 22, .001 1.00 33. .32 MOLA

ATOM 497 C PRO 88 41. .177 1.801 19, .212 1.00 28. .85 MOLA

ATOM 498 O PRO 88 40. .265 2.103 18, .446 1.00 29. .41 MOLA

ATOM 499 N LΞU 89 41. .984 0.764 19, .025 1.00 28. .27 MOLA

ATOM 500 CA LΞU 89 41, .848 -0.158 17, .902 1.00 30. .33 MOLA

ATOM 501 CB LΞU 89 43, .075 -0.057 16 .990 1.00 29, .04 MOLA

ATOM 502 CG LΞU 89 43, .159 -1.132 15 .892 1.00 31, .41 MOLA

ATOM 503 CD1 LΞU 89 42 .003 -0.969 14 .900 1.00 32, .90 MOLA

ATOM 504 CD2 LΞU 89 44 .481 -0.982 15 .144 1.00 34, .28 MOLA

ATOM 505 C LΞU 89 41 .721 -1.598 18 .380 1.00 29 .89 MOLA

ATOM 506 O LΞU 89 42 .596 -2.105 19 .090 1.00 29 .69 MOLA

ATOM 507 N ALA 90 40 .646 -2.258 17 .973 1.00 27 .76 MOLA

ATOM 508 CA ALA 90 40 .425 -3.655 18 .318 1.00 29, .26 MOLA

ATOM 509 CB ALA 90 38 .969 -3.860 18 .765 1.00 28 .97 MOLA

ATOM 510 C ALA 90 40 .711 -4.442 17 .036 1.00 32 .23 MOLA

ATOM 511 O ALA 90 40 .047 -4.234 16 .001 1.00 32 .32 MOLA

ATOM 512 N VAL 91 41 .697 -5.334 17 .080 1.00 29 .55 MOLA

ATOM 513 CA VAL 91 42 .029 -6.107 15 .888 1.00 30 .32 MOLA

ATOM 514 CB VAL 91 43 .434 -6.752 16 .011 1.00 30, .12 MOLA ATOM 515 CGI VAL 91 44.498 -5.659 16.178 1.00 30. 85 MOLA

ATOM 516 CG2 VAL 91 43.466 -7.737 17.184 1.00 28. 67 MOLA

ATOM 517 C VAL 91 41.006 -7.217 15.605 1.00 31. 58 MOLA

ATOM 518 O VAL 91 40.155 -7.525 16.455 1.00 30 .78 MOLA

ATOM 519 N GLY 92 41.071 -7.775 14.395 1.00 31. 55 MOLA

ATOM 520 CA GLY 92 40.208 -8.886 14.027 1.00 33 .40 MOLA

ATOM 521 C GLY 92 40.729 -10.130 14.750 1.00 34 .74 MOLA

ATOM 522 O GLY 92 41.717 -10.039 15.487 1.00 31. 96 MOLA

ATOM 523 N SER 93 40.095 -11.285 14.551 1.00 34.29 MOLA

ATOM 524 CA SΞR 93 40.515 -12.516 15.233 1. 00 37 . 66 MOLA

ATOM 525 CB SΞR 93 39.654 -13.693 14.775 1.00 37 .74 MOLA

ATOM 526 OG SΞR 93 40.091 -14.892 15.402 1.00 41.79 MOLA

ATOM 527 C SΞR 93 41.989 -12.882 15.031 1.00 37 . 80 MOLA

ATOM 528 O SΞR 93 42.494 -12.862 13.912 1.00 37 .17 MOLA

ATOM 529 N GLN 94 42.670 -13.232 16.119 1.00 37 .72 MOLA

ATOM 530 CA GLN 94 44.080 -13.599 16.042 1.00 36 . 83 MOLA

ATOM 531 CB GLN 94 44.865 -12.990 17.215 1.00 35.48 MOLA

ATOM 532 CG GLN 94 44.986 -11.469 17.185 1. 00 31. 80 MOLA

ATOM 533 CD GLN 94 45.535 -10.910 18.488 1.00 33 .25 MOLA

ATOM 534 OΞ1 GLN 94 46.761 -10.883 18.723 1.00 34 .70 MOLA

ATOM 535 NΞ2 GLN 94 44.635 -10.483 19.349 1.00 26 .35 MOLA

ATOM 536 C GLN 94 44.260 -15.108 16.082 1.00 38 .19 MOLA

ATOM 537 O GLN 94 45.390 -15.590 16.130 1.00 38. 50 MOLA

ATOM 538 N MΞT 95 43.155 -15.846 16.058 1.00 41.29 MOLA

ATOM 539 CA MΞT 95 43.203 -17.306 16.144 1.00 46 . 80 MOLA

ATOM 540 CB MΞT 95 41.780 -17.895 16.042 1.00 49 . 55 MOLA

ATOM 541 CG MΞT 95 40.767 -17.333 17.089 1.00 56 .09 MOLA

ATOM 542 SD MΞT 95 40.331 -18.349 18.610 1.00 60 .17 MOLA

ATOM 543 CΞ MΞT 95 41.939 -19.343 18.919 1.00 51. 61 MOLA

ATOM 544 C MΞT 95 44.140 -17.935 15.101 1. 00 47 . 61 MOLA

ATOM 545 O MΞT 95 44.975 -18.770 15.435 1.00 48 .74 MOLA

ATOM 546 N SΞR 96 44.041 -17.511 13.851 1.00 49 .29 MOLA

ATOM 547 CA SΞR 96 44.899 -18.076 12.821 1.00 51. 89 MOLA

ATOM 548 CB SΞR 96 44.305 -17.805 11.439 1.00 MOLA

ATOM 549 OG SΞR 96 44.100 -16.414 11.256 1.00 61. 80 MOLA

ATOM 550 C SΞR 96 46.336 -17.549 12.898 1.00 51. 01 MOLA

ATOM 551 O SΞR 96 47.286 -18.281 12.597 1.00 51. 02 MOLA

ATOM 552 N ALA 97 46.498 -16.294 13.312 1.00 48 .71 MOLA

ATOM 553 CA ALA 97 47.824 -15.683 13.445 1.00 48 .35 MOLA

ATOM 554 CB ALA 97 47.689 -14.202 13.768 1.00 47 .54 MOLA

ATOM 555 C ALA 97 48.656 -16.366 14.529- ,00 47 . 96 MOLA

ATOM 556 O ALA 97 49.878 -16.264 14.542 ,00 48 . 03 MOLA

ATOM 557 N LΞU 98 47.980 -17.048 15.444 00 48 .75 MOLA

ATOM 558 CA LΞU 98 48.640 -17.763 16.527 00 52 . 08 MOLA

ATOM 559 CB LΞU 98 47.589 -18.315 17.494 00 51.10 MOLA

ATOM 560 CG LΞU 98 47.433 -17.663 18.880 00 52 . 69 MOLA

ATOM 561 CD1 LEU 98 47.545 -16.162 18.789 ,00 50 . 94 MOLA

ATOM 562 CD2 LEU 98 46.091 -18.081 19.483 1.00 50 .46 MOLA

ATOM 563 C LEU 98 49.519 -18.909 16.012 1.00 54 . 83 MOLA

ATOM 564 O LEU 98 50.511 -19.270 16.645 1.00 55 .35 MOLA

ATOM 565 N LYS 99 49.160 -19.491 14.872 1.00 57 .25 MOLA

ATOM 566 CA LYS 99 49.961 -20.592 14.336 1.00 60 .46 MOLA

ATOM 567 CB LYS 99 49.142 -21.891 14.317 1.00 61.45 MOLA

ATOM 568 CG LYS 99 48.479 -22.214 15.664 1.00 64 . 85 MOLA

ATOM 569 CD LYS 99 48.334 -23.717 15.922 1.00 66 .38 MOLA ATOM 570 CE LYS 99 49..670 -24..357 16..337 1.00 68,.00 MOLA

ATOM 571 NZ LYS 99 49, .542 -25, .814 16. .684 1.00 67, .39 MOLA

ATOM 572 C LYS 99 50, .519 -20, .307 12, .949 1.00 60, .06 MOLA

ATOM 573 0 LYS 99 51, .114 -21, .179 12, .323 1.00 61, .68 MOLA

ATOM 574 N ASP 100 50, .344 -19, .078 12, .480 1.00 59, .04 MOLA

ATOM 575 CA ASP 100 50, .827 -18, .691 11. .164 1.00 58, .30 MOLA

ATOM 576 CB ASP 100 49, .647 -18, .305 10. .265 1.00 58. .11 MOLA

ATOM 577 CG ASP 100 50, .039 -18, .186 8. .796 1.00 58. .81 MOLA

ATOM 578 ODl ASP 100 51, .118 -17, .640 8. .495 1.00 54. .15 MOLA

ATOM 579 OD2 ASP 100 49, ,249 -18, .630 7. .935 1.00 62. .96 MOLA

ATOM 580 C ASP 100 51, .770 -17, .505 11. .318 1.00 57. .87 MOLA

ATOM 581 O ASP 100 51, ,329 -16, .363 11. .454 1.00 58, .04 MOLA

ATOM 582 N PRO 101 53. .088 -17. .763 11. .302 1.00 57, .28 MOLA

ATOM 583 CD PRO 101 53, ,714 -19. .093 11. .170 1.00 58, .18 MOLA

ATOM 584 CA PRO 101 54, .110 -16, .724 11. .441 1.00 55, .67 MOLA

ATOM 585 CB PRO 101 55. .404 -17, .479 11. .141 1.00 57, .22 MOLA

ATOM 586 CG PRO 101 55. .120 -18. .838 11. .672 1.00 57, .19 MOLA

ATOM 587 C PRO 101 53. .914 -15. .541 10. .502 1.00 53, .12 MOLA

ATOM 588 O PRO 101 54. .236 -14. .407 10. .846 1.00 52. .91 MOLA

ATOM 589 N SΞR 102 53. .388 -15. .811 9. .314 1.00 50. ,95 MOLA

ATOM 590 CA SΞR 102 53. .188 -14. .760 8. .335 1.00 48. ,92 MOLA

ATOM 591 CB SΞR 102 52, .980 -15, .376 6. .947 1.00 51, .70 MOLA

ATOM 592 OG SER 102 52. .818 -14, .370 5. .959 1.00 54. .44 MOLA

ATOM 593 C SER 102 52. .002 -13, .877 8, .712 1.00 46, .59 MOLA

ATOM 594 O SER 102 52. .095 -12, .651 8, .688 1.00 44. .55 MOLA

ATOM 595 N GLU 103 50. ,885 -14, .495 9, .060 1.00 44. .36 MOLA

ATOM 596 CA GLU 103 49. ,718 -13, .714 9. .442 1.00 44. .72 MOLA

ATOM 597 CB GLU 103 48. .507 -14, .634 9. .618 1.00 47. .29 MOLA

ATOM 598 CG GLU 103 47. .189 -13, .886 9. .707 1.00 52, .92 MOLA

ATOM 599 CD GLU 103 45. .997 -14, .799 9. .978 1.00 56, .22 MOLA

ATOM 600 OΞ1 GLU 103 44. .872 -14, .264 10. .142 1.00 54. .61 MOLA

ATOM 601 OΞ2 GLU 103 46. .182 -16, .044 10. .025 1.00 57. .82 MOLA

ATOM 602 C GLU 103 50. .035 -12, .960 10. .752 1.00 43. .64 MOLA

ATOM 603 O GLU 103 49. .510 -11, .869 10. .993 1.00 41, > 63 MOLA

ATOM 604 N ARG 104 50. .911 -13, .531 11. .579 1.00 41, .70 MOLA

ATOM 605 CA ARG 104 51. .292 -12, .888 12. .839 1.00 41, .59 MOLA

ATOM 606 CB ARG 104 52. .340 -13, .727 13. .591 1.00 42, .76 MOLA

ATOM 607 CG ARG 104 53. .065 -12, .971 14. .709 1.00 44, .96 MOLA

ATOM 608 CD ARG 104 54. .117 -13, .854 15. ,392 1.00 48, .08 MOLA

ATOM 609 NΞ ARG 104 53. .510 -14, .857 16. .257 1.00 48. .94 MOLA

ATOM 610 CZ ARG 104 53. .247 -14, .667 17. .545 1.00 49. .36 MOLA

ATOM 611 NH1 ARG 104 52. .685 -15, .636 18. .259 1.00 51, .91 MOLA

ATOM 612 NH2 ARG 104 53, .564 -13, .516 18, .125 1.00 51, .25 MOLA

ATOM 613 C ARG 104 51. .835 -11, .484 12, .581 1.00 38, .58 MOLA

ATOM 614 O ARG 104 51, .579 -10, .573 13, .361 1.00 37, .46 MOLA

ATOM 615 N LEU 105 52. .575 -11, .312 11. .485 1.00 36, .05 MOLA

ATOM 616 CA LEU 105 53. .136 -10 .008 11. .119 1.00 35, .60 MOLA

ATOM 617 CB LEU 105 53. .999 -10, .132 9. .859 1.00 39. .12 MOLA

ATOM 618 CG LEU 105 55, .306 -10, .909 10. .032 1.00 42. .25 MOLA

ATOM 619 CD1 LEU 105 56, .010 -11, .072 8. .677 1.00 43. .65 MOLA

ATOM 620 CD2 LEU 105 56, .196 -10, .152 11. .034 1.00 42. .76 MOLA

ATOM 621 C LEU 105 52, .077 -8, .926 10. .892 1.00 33. .50 MOLA

ATOM 622 O LEU 105 52, .334 -7, .738 11. .101 1.00 30, .89 MOLA

ATOM 623 N SER 106 50, .897 -9, .348 10. .452 1.00 31, .45 MOLA

ATOM 624 CA SΞR 106 49, .772 -8, .444 10. .196 1.00 32, .83 MOLA ATOM 625 CB SΞR 106 48.698 .140 9.338 1.00 33.21 MOLA

ATOM 626 OG SΞR 106 49.233 ,515 8.089 1.00 35.93 MOLA

ATOM 627 C SΞR 106 49.111 -7.927 11.470 1.00 32.95 MOLA

ATOM 628 O SΞR 106 48.234 -7.062 11.406 1. 00 30.45 MOLA

ATOM 629 N TYR 107 49.511 -8.480 12.613 1.00 32.00 MOLA

ATOM 630 CA TYR 107 48.991 -8.039 13.908 1.00 30.93 MOLA

ATOM 631 CB TYR 107 48.471 -9.235 14.703 1.00 32.78 MOLA

ATOM 632 CG TYR 107 47.201 -9.770 14.094 1.00 36.21 MOLA

ATOM 633 GDI TYR 107 47.240 -10.658 13.007 1.00 38.14 MOLA

ATOM 634 CE1 TYR 107 46.071 -11.049 12.351 1.00 40.00 MOLA

ATOM 635 CD2 TYR 107 45.960 -9.297 14.511 1.00 37.69 MOLA

ATOM 636 CΞ2 TYR 107 44.790 -9.679 13.859 1.00 40.73 MOLA

ATOM 637 CZ TYR 107 44.853 -10.551 12.779 1.00 40.75 MOLA

ATOM 638 OH TYR 107 43.693 -10.905 12.119 1.00 44.61 MOLA

ATOM 639 C TYR 107 50.102 -7.298 14.635 1.00 31.01 MOLA

ATOM 640 O TYR 107 49.877 -6.233 15.221 1.00 28.64 MOLA

ATOM 641 N GLU 108 51.315 -7.839 14.584 1.00 31.03 MOLA

ATOM 642 CA GLU 108 52.449 -7.156 15.218 1. 00 32.36 MOLA

ATOM 643 CB GLU 108 53.743 -7.957 15.011 1.00 30.80 MOLA

ATOM 644 CG GLU 108 53.749 -9.254 15.789 1.00 37.24 MOLA

ATOM 645 CD GLU 108 55.057 -10.045 15.649 1.00 40.40 MOLA

ATOM 646 OΞ1 GLU 108 55.229 -11.018 16.408 1.00 40.77 MOLA

ATOM 647 OΞ2 GLU 108 55.887 -9.693 14.785 1.00 41.24 MOLA

ATOM 648 C GLU 108 52.612 -5.748 14.662 1.00 31.89 MOLA

ATOM 649 O GLU 108 53.012 -4.839 15.382 1.00 29.88 MOLA

ATOM 650 N ILE 109 52.291 -5.559 13.379 1.00 31.82 MOLA

ATOM 651 CA ILΞ 109 52.413 -4.234 12.758 1.00 30.15 MOLA

ATOM 652 CB ILΞ 109 52.018 -4.271 11.243 1.00 32.58 MOLA

ATOM 653 CG2 ILΞ 109 50.508 .618 11.080 1.00 29.14 MOLA

ATOM 654 CGI ILΞ 109 52.328 .929 10.584 1.00 32.99 MOLA

ATOM 655 GDI ILE 109 53.841 .570 10.546 1.00 34.76 MOLA

ATOM 656 C ILΞ 109 51.556 .177 13.452 1.00 29.04 MOLA

ATOM 657 O ILΞ 109 51.923 -2.002 13.515 1.00 30.46 MOLA

ATOM 658 N VAL 110 50.398 -3.579 13.963 1.00 30.33 MOLA

ATOM 659 CA VAL 110 49.534 -2.620 14.621 1.00 31.94 MOLA

ATOM 660 CB VAL 110 48.215 -3.288 15.088 1.00 34.18 MOLA

ATOM 661 CGI VAL 110 47.409 -2.324 15.873 1.00 40.27 MOLA

ATOM 662 CG2 VAL 110 47.413 -3.761 13.873 1.00 34.57 MOLA

ATOM 663 C VAL 110 50.240 -1.958 15.807 1.00 32.15 MOLA

ATOM 664 O VAL 110 50.169 -0.742 15.964 1.00 32.28 MOLA

ATOM 665 N ARG 111 50.919 -2.745 16.640 1.00 31.45 MOLA

ATOM 666 CA ARG 111 51.622 -2.155 17.785 1.00 32.63 MOLA

ATOM 667 CB ARG 111 51.974 -3.249 18.822 1. 00 30.94 MOLA

ATOM 668 CG ARG 111 52.767 -2.736 20.038 1.00 31.15 MOLA

ATOM 669 CD ARG 111 52.065 -1. ,554 20.712 1.00 31.34 MOLA

ATOM 670 NΞ ARG 111 50.911 -1.,961 21.506 1.00 29.98 MOLA

ATOM 671 CZ ARG 111 50.009 -1.114 21.994 1.00 28.71 MOLA

ATOM 672 NH1 ARG 111 49.000 -1.570 22.730 1.00 28.84 MOLA

ATOM 673 NH2 ARG 111 50.101 0.188 21.736 1.00 27.71 MOLA

ATOM 674 C ARG 111 52.877 -1.392 17.341 1.00 32.98 MOLA

ATOM 675 O ARG 111 53.215 -0.347 17.896 1.00 35.21 MOLA

ATOM 676 N LYS 112 53.571 900 16.332 1.00 33.10 MOLA

ATOM 677 CA LYS 112 54.773 226 15.837 1.00 32.86 MOLA

ATOM 678 CB LYS 112 55.408 088 14.743 1.00 36.63 MOLA

ATOM 679 CG LYS 112 56.640 -1.511 14.107 1.00 38.57 MOLA ATOM 680 CD LYS 112 57.289 -2.565 13.242 1.00 42.32 MOLA

ATOM 681 CΞ LYS 112 58.536 -2.018 12.582 1.00 43.64 MOLA

ATOM 682 NZ LYS 112 59.089 -3.038 11.668 1.00 41.67 MOLA

ATOM 683 C LYS 112 54.450 0.167 15.288 1.00 34.65 MOLA

ATOM 684 O LYS 112 55.213 1.121 15.452 1.00 34.74 MOLA

ATOM 685 N GLU 113 53.297 0.294 14.642 1.00 32.06 MOLA

ATOM 686 CA GLU 113 52.889 1.569 14.065 1.00 31.99 MOLA

ATOM 687 CB GLU 113 52.021 1.274 12.835 1.00 35.80 MOLA

ATOM 688 CG GLU 113 52.082 2.313 11.759 1.00 46.03 MOLA

ATOM 689 CD GLU 113 53.435 2.427 11.072 1.00 40.46 MOLA

ATOM 690 OΞ1 GLU 113 53.717 3.530 10.597 1.00 50.89 MOLA

ATOM 691 OΞ2 GLU 113 54.199 1.441 10.989 1.00 46.35 MOLA

ATOM 692 C GLU 113 52.129 2.468 15.059 1.00 33.75 MOLA

ATOM 693 O GLU 113 52.036 3.680 14.864 1.00 32.76 MOLA

ATOM 694 N ASN 114 51.608 1.876 16.138 1.00 31.76 MOLA

ATOM 695 CA ASN 114 50.819 2.614 17.147 1.00 32.13 MOLA

ATOM 696 CB ASN 114 49.352 2.205 16.952 1.00 30.18 MOLA

ATOM 697 CG ASN 114 48.394 2.857 17.918 1.00 32.84 MOLA

ATOM 698 OD1 ASN 114 47.211 2.495 17.937 1.00 36.27 MOLA

ATOM 699 ND2 ASN 114 48.868 3.808 18.715 1.00 30.86 MOLA

ATOM 700 C ASN 114 51.363 2.155 18.501 1.00 33.44 MOLA

ATOM 701 O ASN 114 50.742 1.365 19.204 1.00 33.97 MOLA

ATOM 702 N PRO 115 52.563 2.631 18.868 1.00 34.80 MOLA

ATOM 703 CD PRO 115 53.369 3.587 18.086 1.00 34.77 MOLA

ATOM 704 CA PRO 115 53.239 2.283 20.128 1.00 35.92 MOLA

ATOM 705 CB PRO 115 54.616 2.929 19.973 1.00 36.05 MOLA

ATOM 706 CG PRO 115 54.310 4.155 19.151 1.00 35.58 MOLA

ATOM 707 C PRO 115 52.583 2.749 21.420 1.00 36.52 MOLA

ATOM 708 O PRO 115 52.720 2.097 22.464 1.00 35.36 MOLA

ATOM 709 N ASN 116 51.880 3.869 21.359 1.00 34.40 MOLA

ATOM 710 CA ASN 116 51.293 4.415 22.571 1.00 37.85 MOLA

ATOM 711 CB ASN 116 51.775 5.867 22.759 1.00 40.32 MOLA

ATOM 712 CG ASN 116 53.287 5.993 22.658 1.00 45.24 MOLA

ATOM 713 OD1 ASN 116 3 • O 3 6.636 21.743 1.00 48.67 MOLA

ATOM 714 ND2 ASN 116 53.991 5.364 23.585 1.00 45.41 MOLA

ATOM 715 C ASN 116 49.779 4.380 22.681 1.00 36.04 MOLA

ATOM 716 O ASN 116 49.252 4.817 23.688 1.00 36.49 MOLA

ATOM 717 N GLY 117 49.081 3.878 21.663 1.00 32.96 MOLA

ATOM 718 CA GLY 117 47.635 3.845 21.739 1.00 30.24 MOLA

ATOM 719 C GLY 117 47.056 2.567 22.326 1.00 29.82 MOLA

ATOM 720 O GLY 117 47.767 1.575 22.529 1.00 29.14 MOLA

ATOM 721 N LΞU 118 45.762 2.610 22.638 1.00 30.41 MOLA

ATOM 722 CA LEU 118 45.064 1.454 23.190 1.00 29.99 MOLA

ATOM 723 CB LΞU 118 43.762 1.885 23.869 1.00 29.89 MOLA

ATOM 724 CG LΞU 118 43.963 2.709 25.154 1.00 32.71 MOLA

ATOM 725 CD1 LEU 118 42.595 3.050 25.776 1.00 31.41 MOLA

ATOM 726 CD2 LEU 118 44.815 1.911 26.131 1.00 33.85 MOLA

ATOM 727 C LEU 118 44.746 0.481 22.066 1.00 29.65 MOLA

ATOM 728 O LΞU 118 44.176 0.855 21.038 1.00 29.82 MOLA

ATOM 729 N ILΞ 119 45.139 -0.766 22.256 1.00 27.36 MOLA

ATOM 730 CA ILΞ 119 44.864 -1.789 21.271 1.00 29.19 MOLA

ATOM 731 CB ILΞ 119 46.146 -2.198 20.523 1.00 28.72 MOLA

ATOM 732 CG2 ILΞ 119 45.830 -3.290 19.508 1.00 29.59 MOLA

ATOM 733 CGI ILΞ 119 46.762 -0.956 19.855 1.00 30.82 MOLA

ATOM 734 CD1 ILΞ 119 48.027 -1.239 19.053 1.00 32.94 MOLA ATOM 735 C ILΞ 119 44.,278 -2,.989 22..000 1.00 29..46 MOLA

ATOM 736 O ILΞ 119 44. ,781 -3. .398 23. ,064 1.00 29. .50 MOLA

ATOM 737 N PHΞ 120 43. .209 -3. .549 21. .444 1.00 29, .00 MOLA

ATOM 738 CA PHΞ 120 42. .573 -4, .710 22. .043 1.00 29, .52 MOLA

ATOM 739 CB PHΞ 120 41. .043 -4, .518 22. .148 1.00 28. .87 MOLA

ATOM 740 CG PHΞ 120 40. .613 -3. .225 22. .805 1.00 30. .23 MOLA

ATOM 741 CD1 PHΞ 120 41. ,458 -2. .546 23. ,686 1.00 29. .51 MOLA

ATOM 742 CD2 PHΞ 120 39. ,337 -2. .699 22. ,559 1.00 30. .00 MOLA

ATOM 743 CΞ1 PHE 120 41. ,048 -1, .362 24. .312 1.00 31. .31 MOLA

ATOM 744 CΞ2 PHΞ 120 38. ,913 -1. .504 23. .184 1.00 31. .12 MOLA

ATOM 745 CZ PHΞ 120 39. ,769 -0. .843 24. .058 1.00 32. .62 MOLA

ATOM 746 C PHΞ 120 42. ,822 -5. .973 21. .223 1.00 31. .06 MOLA

ATOM 747 O PHΞ 120 42. .619 -5. .965 20. .007 1.00 27. .83 MOLA

ATOM 748 N ALA 121 43. .247 -7. .050 21. .892 1.00 28. .85 MOLA

ATOM 749 CA ALA 121 43. .453 -8. .335 21. .242 1.00 29. .09 MOLA

ATOM 750 CB ALA 121 44. ,332 -9. .253 22. ,123 1.00 29. .01 MOLA

ATOM 751 C ALA 121 42. .067 -8. .960 21. .005 1.00 28. .85 MOLA

ATOM 752 O ALA 121 41. .050 -8, .480 21. .527 1.00 28. .89 MOLA

ATOM 753 N ASN 122 42. .012 -10. .036 20. .231 1.00 29. .64 MOLA

ATOM 754 CA ASN 122 40. .727 -10. .638 19. .884 1.00 29. .01 MOLA

ATOM 755 CB ASN 122 40, .196 -9. .872 18. .650 1.00 29. .39 MOLA

ATOM 756 CG ASN 122 38, .942 -10. .483 18, .033 1.00 30. .55 MOLA

ATOM 757 OD1 ASN 122 38. .581 -11. .633 18, .296 1.00 34. .50 MOLA

ATOM 758 ND2 ASN 122 38. .290 -9, .712 17, .167 1.00 30. .90 MOLA

ATOM 759 C ASN 122 40, .842 -12, .133 19, .583 1.00 30, .40 MOLA

ATOM 760 O ASN 122 41, .617 -12, .537 18. .714 1.00 29. .99 MOLA

ATOM 761 N LΞU 123 40, .091 -12. .940 20. ,329 1.00 31. .02 MOLA

ATOM 762 CA LΞU 123 40, .015 -14. .388 20. .123 1.00 33. .00 MOLA

ATOM 763 CB LΞU 123 40, .919 -15. .151 21. .100 1.00 32. .44 MOLA

ATOM 764 CG LΞU 123 42. .427 -15, .087 20. .886 1.00 31, .93 MOLA

ATOM 765 CD1 LΞU 123 43. .125 -15, .841 22. .029 1.00 31. .09 MOLA

ATOM 766 CD2 LΞU 123 42, .788 -15, .704 19, .492 1.00 30. .52 MOLA

ATOM 767 C LΞU 123 38, .572 -14, .843 20, .366 1.00 33. .73 MOLA

ATOM 768 O LΞU 123 37, ■ / 6 o -14 .112 20, .941 1.00 33, .05 MOLA

ATOM 769 N GLY 124 38, .259 -16, .066 19, .950 1.00 35, .47 MOLA

ATOM 770 CA GLY 124 36, .935 -16, .612 20. .183 1.00 36, .63 MOLA

ATOM 771 C GLY 124 36, .862 -17, .294 21, .543 1.00 39. .35 MOLA

ATOM 772 O GLY 124 37, .891 -17, .523 22, .202 1.00 40, .19 MOLA

ATOM 773 N SΞR 125 35, .646 -17 .625 21, .974 1.00 42, .43 MOLA

ATOM 774 CA SΞR 125 35, .420 -18 .270 23, .270 1.00 44, .06 MOLA

ATOM 775 CB SΞR 125 33, .916 -18, .314 23. .575 1.00 47, .70 MOLA

ATOM 776 OG SΞR 125 33, .188 -18 .841 22. .479 1.00 51, .88 MOLA

ATOM 777 C SΞR 125 36, .017 -19 .680 23, .391 1.00 44, .85 MOLA

ATOM 778 O SΞR 125 36, .133 -20 .218 24, .501 1.00 42, .71 MOLA

ATOM 779 N GLU 126 36, .394 -20 .271 22, .257 1.00 44, .47 MOLA

ATOM 780 CA GLU 126 37, .006 -21 .598 22, .257 1.00 44, .72 MOLA

ATOM 781 CB GLU 126 36 .896 -22 .261 20 .874 1.00 46 .79 MOLA

ATOM 782 CG GLU 126 37, .771 -21 .625 19, .799 1.00 52 .00 MOLA

ATOM 783 CD GLU 126 37, .198 -20 .327 19, .236 1.00 54, .76 MOLA

ATOM 784 OΞ1 GLU 126 36, .331 -19 .714 19, .896 1.00 57, .30 MOLA

ATOM 785 OΞ2 GLU. 126 37, .622 -19 .921 18, .133 1.00 55, .71 MOLA

ATOM 786 C GLU 126 38 .485 -21 .486 22 .634 1.00 43 .55 MOLA

ATOM 787 O GLU 126 39 .105 -22 .468 23, .020 1.00 41 .06 MOLA

ATOM 788 N ALA 127 39 .050 -20 .285 22, .531 1.00 42 .01 MOLA

ATOM 789 CA ALA 127 40, .466 -20 .105 22, .860 1.00 41, .85 MOLA ATOM 790 CB ALA 127 40. ,852 -18. ,641 22..724 1.00 39..73 MOLA

ATOM 791 C ALA 127 40. ,801 -20. .602 24. .266 1.00 41. ,16 MOLA

ATOM 792 O ALA 127 39. ,952 -20. .604 25. .154 1.00 40. .60 MOLA

ATOM 793 N THR 128 42. .042 -21. .038 24. .454 1.00 41, .11 MOLA

ATOM 794 CA THR 128 42. .485 -21. .501 25. .763 1.00 41. .37 MOLA

ATOM 795 CB THR 128 43. .523 -22. .633 25. .667 1.00 41. .25 MOLA

ATOM 796 OG1 THR 128 44. .654 -22. .176 24. .917 1.00 39. .97 MOLA

ATOM 797 CG2 THR 128 42. .919 -23. .854 24. .983 1.00 41. .10 MOLA

ATOM 798 C THR 128 43. .168 -20. .334 26. .451 1.00 41. .32 MOLA

ATOM 799 O THR 128 43. .459 -19. .308 25. .823 1.00 39. .88 MOLA

ATOM 800 N ALA 129 43. .440 -20. .489 27. ,739 1.00 40. ,00 MOLA

ATOM 801 CA ALA 129 44. .117 -19. .441 28. .467 1.00 39. ,15 MOLA

ATOM 802 CB ALA 129 44. .222 -19. .818 29. .946 1.00 40. .78 MOLA

ATOM 803 C ALA 129 45. .502 -19. .173 27. .865 1.00 38. .83 MOLA

ATOM 804 O ALA 129 45. .948 -18. .024 27. .838 1.00 36. .44 MOLA

ATOM 805 N ALA 130 46. .173 -20. .212 27. .358 1.00 38. .60 MOLA

ATOM 806 CA ALA 130 47. .514 -20. .052 26, .764 1.00 39. .70 MOLA

ATOM 807 CB ALA 130 48. .161 -21. .420 26, .495 1.00 39. ,83 MOLA

ATOM 808 C ALA 130 47. .447 -19. .261 25. .460 1.00 39. ,23 MOLA

ATOM 809 O ALA 130 48. .354 -18. .493 25. ,129 1.00 38, ,18 MOLA

ATOM 810 N GLN 131 46. .371 -19. .462 24. .712 1.00 38. .02 MOLA

ATOM 811 CA GLN 131 46. .204 -18. .743 23. .463 1.00 38, .08 MOLA,

ATOM 812 CB GLN 131 45. .072 -19. .367 22. .650 1.00 38, .55 MOLA

ATOM 813 CG GLN 131 45, .539 -20. .601 21. .914 1.00 42. .70 MOLA

ATOM 814 CD GLN 131 44. .411 -21. .450 21. .388 1.00 46. .25 MOLA

ATOM 815 OΞ1 GLN 131 44, .593 -22. .177 20. .416 1.00 50. .48 MOLA

ATOM 816 NΞ2 GLN 131 43. .249 -21. .385 22. .030 1.00 43. .40 MOLA

ATOM 817 C GLN 131 45. .924 -17. .278 23. .763 1.00 34. .85 MOLA

ATOM 818 O GLN 131 46. .440 -16, .394 23. .084 1.00 35. .17 MOLA

ATOM 819 N ALA 132 45, .128 -17, .039 24, .802 1.00 33. .64 MOLA

ATOM 820 CA ALA 132 44, .773 -15. .683 25. .211 1.00 32. .59 MOLA

ATOM 821 CB ALA 132 43, .841 -15, .726 26. .412 1.00 31. .60 MOLA

ATOM 822 C ALA 132 46, .028 -14, .893 25. .555 1.00 34, .72 MOLA

ATOM 823 O JΑi^£l_* 132 46, .196 -13, .745 25, .115 1.00 28. .76 MOLA

ATOM 824 N LYS 133 46, .919 -15, .515 26. .338 1.00 32, .22 MOLA

ATOM 825 CA LYS 133 48, .162 -14, .855 26. .728 1.00 35, .49 MOLA

ATOM 826 CB LYS 133 48, .924 -15. .740 27, .727 1.00 38, .38 MOLA

ATOM 827 CG LYS 133 50, .141 -15. .083 28. .328 1.00 46. .99 MOLA

ATOM 828 CD LYS 133 50 .561 -15, .807 29, .609 1.00 50, .58 MOLA

ATOM 829 CΞ LYS 133 51 .726 -15, .082 30, .277 1.00 55, .76 MOLA

ATOM 830 NZ LYS 133 52 .175 -15, .776 31, .522 1.00 58, .10 MOLA

ATOM 831 C LYS 133 49 .022 -14, .567 25, .492 1.00 34, .53 MOLA

ATOM 832 O LYS 133 49, .617 -13, .496 25, .367 1.00 34, .38 MOLA

ATOM 833 N GLU 134 49 .061 -15, .506 24, .559 1.00 34, .80 MOLA

ATOM 834 CA GLU 134 49, .859 -15, .314 23, .354 1.00 37, .69 MOLA

ATOM 835 CB GLU 134 49, .921 -16, .614 22, .550 1.00 40, .68 MOLA

ATOM 836 CG GLU 134 50, .934 -16, .579 21. .423 1.00 51. .18 MOLA

ATOM 837 CD GLU 134 51 .248 -17 .956 20 .862 1.00 56, .05 MOLA

ATOM 838 OE1 GLU 134 51 .883 -18 .023 19 .779 1.00 59, .53 MOLA

ATOM 839 OE2 GLU 134 50 .864 -18 .966 21 .506 1.00 57, .86 MOLA

ATOM 840 C GLU 134 49 .317 -14 .177 22 .479 1.00 34, .92 MOLA

ATOM 841 O GLU 134 50 .084 -13 .379 21 .934 1.00 34, .12 MOLA

ATOM 842 N ALA 135 47 .997 -1 .100 22 .357 1.00 33, .21 MOLA

ATOM 843 CA ALA 135 47 .362 -13, .052 21 .547 1.00 31, .45 MOLA

ATOM 844 CB ALA 135 45 .843 -13, .303 21 .444 1.00 30, .46 MOLA ATOM 845 C ALA 135 47.634 -11.691 22.177 1.00 31.84 MOLA

ATOM 846 O ALA 135 47.886 -10.707 21.470 1.00 31.31 MOLA

ATOM 847 N VAL 136 47.573 -11.617 23.506 1.00 29.89 MOLA

ATOM 848 CA VAL 136 47.864 -10.353 24.165 1.00 30.48 MOLA

ATOM 849 CB VAL 136 47.569 -10.403 25.697 1.00 27.78 MOLA

ATOM 850 CGI VAL 136 48.152 -9.139 26.390 1.00 28.49 MOLA

ATOM 851 CG2 VAL 136 46.059 -10.439 25.945 1.00 28.24 MOLA

ATOM 852 C VAL 136 49.328 -9.938 23.944 1.00 31.46 MOLA

ATOM 853 O VAL 136 49.603 -8.798 23.598 1.00 29.40 MOLA

ATOM 854 N GLU 137 50.274 -10.857 24.135 1.00 33.19 MOLA

ATOM 855 CA GLU 137 51.687 -10.501 23.962 1.00 35.40 MOLA

ATOM 856 CB GLU 137 52.580 -11.650 24.446 1.00 40.27 MOLA

ATOM 857 CG GLU 137 52.345 -12.026 25.906 1.00 48.82 MOLA

ATOM 858 CD GLU 137 53.220 -13.185 26.376 1.00 54.82 MOLA

ATOM 859 OΞ1 GLU 137 52.927 -13.754 27.457 1.00 55.92 MOLA

ATOM 860 OΞ2 GLU 137 54.202 -13.514 25.668 1.00 59.03 MOLA

ATOM 861 C GLU 137 52.041 -10.150 22.516 1.00 34.37 MOLA

ATOM 862 O GLU 137 52.887 -9.302 22.265 1.00 35.76 MOLA

ATOM 863 N MΞT 138 51.389 -10.804 21.566 1.00 34.27 MOLA

ATOM 864 CA MΞT 138 51.649 -10.559 20.147 1.00 33.49 MOLA

ATOM 865 CB MΞT 138 50.628 -11.338 19.290 1.00 34.16 MOLA

ATOM 866 CG MET 138 50.887 -11.314 17.779 1.00 35.19 MOLA

ATOM 867 SD MET 138 49.530 -12.079 16.814 1.00 35.10 MOLA

ATOM 868 CΞ MET 138 49.577 -13.798 17.437 1.00 37.31 MOLA

ATOM 869 C MET 138 51.594 -9.074 19.757 1.00 32.48 MOLA

ATOM 870 O MET 138 52.401 -8.609 18.959 1.00 33.20 MOLA

ATOM 871 N ILE 139 50.641 -8.336 20.317 1.00 31.23 MOLA

ATOM 872 CA ILE 139 50.455 -6.915 19.995 1.00 29.70 MOLA

ATOM 873 CB ILΞ 139 49.057 -6.698 19.326 1.00 31.88 MOLA

ATOM 874 CG2 ILΞ 139 48.894 -7.675 18.145 1.00 30.51 MOLA

ATOM 875 CGI ILΞ 139 47.932 -6.956 20.333 1.00 30.57 MOLA

ATOM 876 CD1 ILΞ 139 46.489 -6.944 19.722 1.00 31.02 MOLA

ATOM 877 C ILΞ 139 50.554 -5.992 21.227 1.00 29.72 MOLA

ATOM 878 O ILE 139 50.142 -4.832 21.180 1.00 29.30 MOLA

ATOM 879 N GLY 140 51.131 -6.502 22.316 1.00 30.59 MOLA

ATOM 880 CA GLY 140 51.225 -5.712 23.537 1.00 28.14 MOLA

ATOM 881 C GLY 140 49.876 -5.087 23.851 1.00 28.31 MOLA

ATOM 882 O GLY 140 49.768 -3.889 24.132 1.00 30.14 MOLA

ATOM 883 N ALA 141 48.831 -5.913 23.807 1.00 28.70 MOLA

ATOM 884 CA ALA 141 47.468 -5.447 24.040 1.00 27.86 MOLA

ATOM 885 CB ALA 141 46.497 -6.571 23.746 1.00 24.15 MOLA

ATOM 886 C ALA 141 47.180 -4.885 25.434 1.00 29.70 MOLA

ATOM 887 O ALA 141 47.753 -5.328 26.437 1.00 27.56 MOLA

ATOM 888 N ASN 142 46.267 -3.917 25.481 1.00 27.96 MOLA

ATOM 889 CA ASN 142 45.856 -3.297 26.739 1.00 28.75 MOLA

ATOM 890 CB ASN 142 45.668 -1.792 26.528 1.00 29.07 MOLA

ATOM 891 CG ASN 142 46.871 -1.163 25.858 1.00 33.62 MOLA

ATOM 892 OD1 ASN 142 46.909 -1.009 24.626 1.00 31.00 MOLA

ATOM 893 ND2 ASN 142 47.885 -0.827 26.659 1.00 29.91 MOLA

ATOM 894 C ASN 142 44.569 -3.943 27.237 1.00 29.53 MOLA

ATOM 895 O ASN 142 44.130 -3.681 28.348 1.00 28.64 MOLA

ATOM 896 N ALA 143 43.964 -4.779 26.391 1.00 28.76 MOLA

ATOM 897 CA ALA 143 42.728 -5.491 26.734 1.00 26.84 MOLA

ATOM 898 CB ALA 143 41.527 -4.562 26.659 1.00 27.87 MOLA

ATOM 899 C ALA 143 42.556 -6.633 25.741 1.00 28.26 MOLA ATOM 900 O ALA 143 43,.178 -6..636 24,.675 1.00 28,.99 MOLA

ATOM 901 N LEU 144 41, .699 -7. .577 26, .099 1.00 26, .58 MOLA

ATOM 902 CA LEU 144 41, .421 -8. .749 25, .288 1.00 27, .89 MOLA

ATOM 903 CB LEU 144 42, .032 -9. .998 25. .933 1.00 26. .97 MOLA

ATOM 904 CG LEU 144 41, .545 -11. .351 25, .381 1.00 29. .33 MOLA

ATOM 905 CD1 LEU 144 42, .035 -11. .517 23, .949 1.00 27, .96 MOLA

ATOM 906 CD2 LEU 144 42. .081 -12. .490 26, .220 1.00 27, .94 MOLA

ATOM 907 C LEU 144 39, .916 -8. .965 25, .110 1.00 28. .36 MOLA

ATOM 908 O LEU 144 39, .153 -9. .073 26, .082 1.00 28. .92 MOLA

ATOM 909 N GLN 145 39, .489 -8. .993 23. .854 1.00 28, .68 MOLA

ATOM 910 CA GLN 145 38, .098 -9. .270 23. .531 1.00 28. .51 MOLA

ATOM 911 CB GLN 145 37. .671 -8. .570 22. .217 1.00 30. .48 MOLA

ATOM 912 CG GLN 145 37. .631 -7. .067 22. .233 1.00 33. ,75 MOLA

ATOM 913 CD GLN 145 37. .077 -6, .462 20. .917 1.00 41. ,17 MOLA

ATOM 914 OΞ1 GLN 145 36, .553 -5. ,353 20. .911 1.00 45, .29 MOLA

ATOM 915 NΞ2 GLN 145 37, .209 -7, ,192 19. .816 1.00 39, .88 MOLA

ATOM 916 C GLN 145 37, .951 -10, .776 23. .319 1.00 28, .20 MOLA

ATOM 917 O GLN 145 38. .763 -11, .399 22. .644 1.00 30, .00 MOLA

ATOM 918 N ILΞ 146 36. .915 -11, .361 23. .905 1.00 28, .17 MOLA

ATOM 919 CA ILΞ 146 36. .616 -12, .781 23. .723 1.00 29, .91 MOLA

ATOM 920 CB ILE 146 36, .604 -13, .549 25. .054 1.00 28. ,14 MOLA

ATOM 921 CG2 ILE 146 36, .063 -14, .956 24. .836 1.00 30. .61 MOLA

ATOM 922 CGI ILΞ 146 38, .035 -13, .624 25. .626 1.00 29, .08 MOLA

ATOM 923 CD1 ILE 146 39. .025 -14. .395 24. .737 1.00 25, .95 MOLA

ATOM 924 C ILE 146 35. .196 -12. .770 23. .146 1.00 31, .80 MOLA

ATOM 925 O ILE 146 34. .279 -12. .231 23, .750 1.00 30. .12 MOLA

ATOM 926 N HIS 147 35. .021 -13, .353 21, .969 1.00 35. .61 MOLA

ATOM 927 CA HIS 147 33. .711 -13, .347 21. .325 1.00 37. .49 MOLA

ATOM 928 CB HIS 147 33. .870 -13, .162 19. .805 1.00 39. ,92 MOLA

ATOM 929 CG HIS 147 34. .423 -11. .830 19. .402 1.00 45, .85 MOLA

ATOM 930 CD2 HIS 147 35. .373 -11, .044 19. .966 1.00 49. .02 MOLA

ATOM 931 ND1 HIS 147 34, .001 -11, .163 18. .270 1.00 47. .94 MOLA

ATOM 932 CΞ1 HIS 147 34, .666 -10. .026 18, .154 1.00 45. .82 MOLA

ATOM 933 NΞ2 HIS 147 35, .504 -9. .929 19, .169 1.00 48. .98 MOLA

ATOM 934 C HIS 147 32, ,867 -14, .590 21, .567 1.00 39. .95 MOLA

ATOM 935 O HIS 147 33, .375 -15, .714 21. ,518 1.00 39. .98 MOLA

ATOM 936 N LEU 148 31. .578 -14, .365 21, .825 1.00 40. .67 MOLA

ATOM 937 CA LEU 148 30, .587 -15. .426 22, .012 1.00 44. .86 MOLA

ATOM 938 CB LEU 148 29. .830 -15. .244 23, .331 1.00 43. .71 MOLA

ATOM 939 CG LEU 148 30. .503 -15. .673 24. .636 1.00 44, .01 MOLA

ATOM 940 CD1 LEU 148 29, .655 -15. .189 25, .799 1.00 46, .78 MOLA

ATOM 941 CD2 LEU 148 30, .651 -17. .194 24. .684 1.00 44, .42 MOLA

ATOM 942 C LEU 148 29, .562 -15. .365 20, .859 1.00 48. .19 MOLA

ATOM 943 O LEU 148 29, .193 -14. .280 20, .388 1.00 48. ,06 MOLA

ATOM 944 N ASN 149 29, .107 -16. .525 20, .399 1.00 50, .65 MOLA

ATOM 945 CA ASN 149 28, .094 -16. .578 19, .341 1.00 54, .22 MOLA

ATOM 946 CB ASN 149 28. .650 -16. .095 17, .999 1.00 56, .61 MOLA

ATOM 947 CG ASN 149 27. .540 -15. .686 17, .013 1.00 60. .48 MOLA

ATOM 948 OD1 ASN 149 26. .354 -16, .025 17, .193 1.00 58. .21 MOLA

ATOM 949 ND2 ASN 149 27. .925 -14, .961 15, .967 1.00 58, .92 MOLA

ATOM 950 C ASN 149 27. .613 -18, .006 19. .183 1.00 55, .14 MOLA

ATOM 951 O ASN 149 27, .930 -18, .666 18, .194 1.00 55, .30 MOLA

ATOM 952 N VAL 150 26, .848 -18. .477 20, .162 1.00 56, .63 MOLA

ATOM 953 CA VAL 150 26, .318 -19, .834 20, .142 1.00 58, .18 MOLA

ATOM 954 CB VAL 150 25, .600 -20, ,169 21, .468 1.00 59, .16 MOLA ATOM 955 CGI VAL 150 24..995 -21,.563 21..394 1..00 60..16 MOLA

ATOM 956 CG2 VAL 150 26, .582 -20, .070 22, .630 1. .00 58, .66 MOLA

ATOM 957 C VAL 150 25, .342 -20, .073 18, .995 1. .00 58. .98 MOLA

ATOM 958 O VAL 150 25, .402 -21, .108 18, .333 1. .00 58, .19 MOLA

ATOM 959 N ILE 151 24, .447 -19, .119 18. .758 1. .00 59. .62 MOLA

ATOM 960 CA ILΞ 151 23. .462 -19. .271 17. .689 1. ,00 63. .51 MOLA

ATOM 961 CB ILΞ 151 22, .584 -18, .014 17, .532 1. ,00 64. .27 MOLA

ATOM 962 CG2 ILΞ 151 21, .432 -18. .311 16. .555 1. ,00 64, .71 MOLA

ATOM 963 CGI ILΞ 151 22, ,014 -17, .592 18. .893 1. .00 64, .76 MOLA

ATOM 964 GDI ILΞ 151 21, ,051 -18. .585 19. .505 1. ,00 61, .89 MOLA

ATOM 965 C ILΞ 151 24. .102 -19, .565 16, .333 1. ,00 64. .77 MOLA

ATOM 966 O ILΞ 151 23. .682 -20. .487 15, .631 1. .00 65. .63 MOLA

ATOM 967 N GLN 152 25. .109 -18, .779 15, .959 1. .00 66. .13 MOLA

ATOM 968 CA GLN 152 25. .789 -18. .996 14, .684 1. .00 67, .20 MOLA

ATOM 969 CB GLN 152 26, .731 -17, .836 14, .368 1. .00 67, .86 MOLA

ATOM 970 CG GLN 152 26. .039 -16, .657 13, .720 1. ,00 71, .20 MOLA

ATOM 971 CD GLN 152 26. .968 -15. .880 12. .800 1. ,00 72. .61 MOLA

ATOM 972 OE1 GLN 152 27, .902 -15, .214 13, .255 1. .00 73, .44 MOLA

ATOM 973 NΞ2 GLN 152 26, .720 -15, .971 11. .493 1. .00 73. .35 MOLA

ATOM 974 C GLN 152 26, .579 -20, .297 14, .657 1. .00 67, .10 MOLA

ATOM 975 O GLN 152 26. .690 -20, .945 13. .612 1. ,00 67, .58 MOLA

ATOM 976 N GLU 153 27, .112 -20, .680 15. .813 1. ,00 66, .40 MOLA

ATOM 977 CA GLU 153 27, .917 -21, .891 15, .934 1. ,00 67, .21 MOLA

ATOM 978 CB GLU 153 28, .898 -21, .730 17. .097 1. ,00 66. .17 MOLA

ATOM 979 CG GLU 153 29, .893 -20, .578 16, .913 1. .00 68. .21 MOLA

ATOM 980 CD GLU 153 30, .613 -20, .203 18, .206 1. .00 68. .75 MOLA

ATOM 981 OΞ1 GLU 153 31, .499 -19. .313 18, .169 1. .00 69. .40 MOLA

ATOM 982 OΞ2 GLU 153 30. .286 -20. .794 19. .260 1. ,00 68. .11 MOLA

ATOM 983 C GLU 153 27, .092 -23, .164 16. .122 1. .00 67. .84 MOLA

ATOM 984 O GLU 153 27, .583 -24. .154 16. .679 1. .00 68. .90 MOLA

ATOM 985 N ILΞ 154 25, .847 -23, .141 15, .651 1. .00 67, .47 MOLA

ATOM 986 CA ILΞ 154 24. .959 -24, .298 15. .777 1. .00 66. .98 MOLA

ATOM 987 CB ILΞ 154 24, .225 -24, .277 17, .135 1. .00 66, .71 MOLA

ATOM 988 CG2 ILE 154 23, .186 -23. .152 17. .156 1. .00 66. .09 MOLA

ATOM 989 CGI ILΞ 154 23, .537 -25, .619 17, .378 1. .00 66, .75 MOLA

ATOM 990 GDI ILΞ 154 23, .038 -25, .795 18, .791 1. ,oo^' 65, .48 MOLA

ATOM 991 C ILΞ 154 23 .923 -24, .360 14, .656 1. .00 66. .56 MOLA

ATOM 992 O ILE 154 23, .820 -23. .440 13, .836 1. ,00 67, .86 MOLA

ATOM 993 N PHE 163 30. .111 -25, .126 23, .677 1. ,00 58. .64 MOLA

ATOM 994 CA PHE 163 28, .934 -24, .982 24, .522 1. ,00 57. .31 MOLA

ATOM 995 CB PHΞ 163 27. .858 -25, .993 24. .115 0. ,00 56. .54 MOLA

ATOM 996 CG PHE 163 27, .308 -25, .775 22, .732 0. .00 55, .57 MOLA

ATOM 997 CD1 PHΞ 163 28, .097 -25, .997 21, .607 0. ,00 55, .12 MOLA

ATOM 998 CD2 PHΞ 163 25, .997 -25, .345 22. .554 0. ,00 55, .12 MOLA

ATOM 999 CΞ1 PHΞ 163 27, .587 -25. .795 20. .325 0. ,00 54, .78 MOLA

ATOM 1000 CE2 PHΞ 163 25, .477 -25, .140 21. .278 0. ,00 54, .78 MOLA

ATOM 1001 CZ PHΞ 163 26, .274 -25, .366 20. .161 0. ,00 54, .68 MOLA

ATOM 1002 C PHΞ 163 29, .300 -25, .180 25, .992 1. .00 57, .22 MOLA

ATOM 1003 O PHΞ 163 29, .434 -24. .213 26, .752 1. .00 56, .13 MOLA

ATOM 1004 N SΞR 164 29. .459 -26, .438 26. ,390 1. .00 56, .19 MOLA

ATOM 1005 CA SΞR 164 29, .809 -26, .762 27, .763 1. .00 57, .06 MOLA

ATOM 1006 CB SΞR 164 29. .703 -28, .275 27, .986 1. .00 57, .96 MOLA

ATOM 1007 OG SΞR 164 28, .364 -28. .710 27, .798 1. ,00 63, .15 MOLA

ATOM 1008 C SΞR 164 31. .224 -26, .285 28. .089 1. .00 54. .96 MOLA

ATOM 1009 O SER 164 32, .141 -26, .444 27, .286 1. ,00 53. .98 MOLA ATOM 1010 N GLY 165 31.388 -25.692 29.267 1.00 53.97 MOLA

ATOM 1011 CA GLY 165 32.696 -25.213 29.677 1.00 51.17 MOLA

ATOM 1012 C GLY 165 33.034 -23.816 29.183 1.00 48.24 MOLA

ATOM 1013 O GLY 165 34.068 -23.262 29.561 1.00 46.55 MOLA

ATOM 1014 N ALA 166 32.172 -23.233 28.353 1.00 43.75 MOLA

ATOM 1015 CA ALA 166 32.443 -21.898 27.838 1.00 40.43 MOLA

ATOM 1016 CB ALA 166 31.291 -21.410 26.970 1.00 39.15 MOLA

ATOM 1017 C ALA 166 32.711 -20.905 28.971 1.00 38.56 MOLA

ATOM 1018 O ALA 166 33.736 -20.239 28.980 1.00 37.63 MOLA

ATOM 1019 N LΞU 167 31.801 -20.803 29.932 1.00 38.00 MOLA

ATOM 1020 CA LΞU 167 32.007 -19.859 31.025 1.00 36.97 MOLA

ATOM 1021 CB LΞU 167 30.797 -19.855 31.955 1.00 35.14 MOLA

ATOM 1022 CG LΞU 167 30.894 -18.881 33.134 1.00 32.64 MOLA

ATOM 1023 CD1 LΞU 167 30.986 -17.444 32.592 1.00 31.49 MOLA

ATOM 1024 CD2 LΞU 167 29.671 -19.044 34.046 1.00 33.75 MOLA

ATOM 1025 C LΞU 167 33.278 -20.174 31.825 1.00 38.45 MOLA

ATOM 1026 O LΞU 167 34.019 -19.273 32.232 1.00 36.76 MOLA

ATOM 1027 N LYS 168 33.534 -21.457 32.049 1.00 39.69 MOLA

ATOM 1028 CA LYS 168 34.712 -21.859 32.818 1.00 40.84 MOLA

ATOM 1029 CB LYS 168 34.671 -23.373 33.064 1.00 45.13 MOLA

ATOM 1030 CG LYS 168 35.199 -23.778 34.428 1.00 53.71 MOLA

ATOM 1031 CD LYS 168 36.684 -23.442 34.591 1.00 57.71 MOLA

ATOM 1032 CE LYS 168 37.111 -23.531 36.055 1.00 60.54 MOLA

ATOM 1033 NZ LYS 168 36.632 -24.793 36.721 1.00 63.63 MOLA

ATOM 1034 C LYS 168 35.988 -21.458 32.070 1.00 39.80 MOLA

ATOM 1035 O LYS 168 36.953 -21.017 32.674 1.00 38.51 MOLA

ATOM 1036 N ARG 169 35.980 -21.608 30.750 1.00 37.89 MOLA

ATOM 1037 CA ARG 169 37.126 -21.234 29.924 1.00 38.33 MOLA

ATOM 1038 CB ARG 169 36.856 -21.637 28.483 1.00 40.68 MOLA

ATOM 1039 CG ARG 169 38.019 -22.232 27.759 1.00 48.97 MOLA

ATOM 1040 CD ARG 169 37.582 -22.635 26.373 1.00 51.35 MOLA

ATOM 1041 NΞ ARG 169 36.614 -23.717 26.444 1.00 56.01 MOLA

ATOM 1042 CZ ARG 169 35.424 -23.722 25.848 1.00 54.59 MOLA

ATOM 1043 NH1 ARG 169 34.630 -24.777 25 • 98X 1.00 54.55 MOLA

ATOM 1044 NH2 ARG 169 35.020 -22.686 25.131 1.00 53.74 MOLA

ATOM 1045 C ARG 169 37.338 -19.713 30.008 1.00 34.54 MOLA

ATOM 1046 O ARG 169 38.467 -19.224 30.068 1.00 32.40 MOLA

ATOM 1047 N ILΞ 170 36.242 -18.961 30.013 1.00 33.07 MOLA

ATOM 1048 CA ILΞ 170 36.328 -17.503 30.118 1.00 32.10 MOLA

ATOM 1049 CB ILΞ 170 34.937 -16.846 29.866 1.00 32.49 MOLA

ATOM 1050 CG2 ILΞ 170 34.927 -15.390 30.372 1.00 31.52 MOLA

ATOM 1051 CGI ILΞ 170 34.623 -16.932 28.359 1.00 30.65 MOLA

ATOM 1052 CD1 ILΞ 170 33.214 -16.552 27.977 1.00 33.61 MOLA

ATOM 1053 C ILΞ 170 36.862 -17.132 31.510 1.00 31.75 MOLA

ATOM 1054 O ILΞ 170 37.691 -16.239 31.647 1.00 28.51 MOLA

ATOM 1055 N GLU 171 36.399 -17.825 32.544 1.00 31.30 MOLA

ATOM 1056 CA GLU 171 36.907 -17.536 33.888 1.00 32.67 MOLA

ATOM 1057 CB GLU 171 36.245 -18.446 34.918 1.00 33.03 MOLA

ATOM 1058 CG GLU 171 36.678 -18.144 36.335 1.00 35.92 MOLA

ATOM 1059 CD GLU 171 36.028 -19.087 37.327 1.00 40.76 MOLA

ATOM 1060 OΞ1 GLU 171 36.393 -20.281 37.344 1.00 40.91 MOLA

ATOM 1061 OΞ2 GLU 171 35.153 -18.623 38.068 1.00 40.36 MOLA

ATOM 1062 C GLU 171 38.441 -17.730 33.946 1.00 30.38 MOLA

ATOM 1063 O GLU 171 39.148 -16.879 34.483 1.00 30.53 MOLA

ATOM 1064 N GLN 172 38.937 -18.837 33.396 1.00 31.63 MOLA ATOM 1065 CA GLN 172 40.375 -19.131 33.385 1.00 34.92 MOLA

ATOM 1066 CB GLN 172 40.631 -20.515 32.791 1.00 37.80 MOLA

ATOM 1067 CG GLN 172 39.923 -21.621 33.560 1.00 48.18 MOLA

ATOM 1068 CD GLN 172 39.976 -22.973 32.856 1.00 54.31 MOLA

ATOM 1069 OΞ1 GLN 172 39.877 -23.055 31.622 1.00 55.25 MOLA

ATOM 1070 NΞ2 GLN 172 40.116 -24.049 33.645 1.00 56.69 MOLA

ATOM 1071 C GLN 172 41.144 -18.085 32.583 1.00 34.53 MOLA

ATOM 1072 O GLN 172 42.246 -17.668 32.969 1.00 31.14 MOLA

ATOM 1073 N ILE 173 40.577 -17.677 31.449 1.00 30.91 MOLA

ATOM 1074 CA ILΞ 173 41.204 -16.634 30.634 1.00 28.74 MOLA

ATOM 1075 CB ILΞ 173 40.374 -16.378 29.325 1.00 29.21 MOLA

ATOM 1076 CG2 ILΞ 173 40.747 -15.016 28.700 1.00 29.41 MOLA

ATOM 1077 CGI ILΞ 173 40.608 -17.535 28.337 1.00 31.71 MOLA

ATOM 1078 CD1 ILΞ 173 39.663 -17.502 27.092 1.00 32.63 MOLA

ATOM 1079 C ILΞ 173 41.320 -15.346 31.463 1.00 25.09 MOLA

ATOM 1080 O ILΞ 173 42.381 -14.715 31.487 1.00 27.70 MOLA

ATOM 1081 N CYS 174 40.248 -14.942 32.146 1.00 24.90 MOLA

ATOM 1082 CA CYS 174 40.296 -13.729 32.960 1.00 26.96 MOLA

ATOM 1083 CB CYS 174 38.936 -13.425 33.578 1.00 26.64 MOLA

ATOM 1084 SG CYS 174 37.719 -12.975 32.273 1.00 30.06 MOLA

ATOM 1085 C CYS 174 41.324 -13.855 34.086 1.00 28.62 MOLA

ATOM 1086 O CYS 174 41.972 -12.866 34.478 1.00 28.94 MOLA

ATOM 1087 N SΞR 175 41.455 -15.065 34.620 1.00 27.10 MOLA

ATOM 1088 CA SΞR 175 42.429 -15.292 35.697 1.00 28.96 MOLA

ATOM 1089 CB SΞR 175 42.190 -16.669 36.321 1.00 28.12 MOLA

ATOM 1090 OG SΞR 175 40.950 -16.682 37.003 1.00 30.03 MOLA

ATOM 1091 C SΞR 175 43.867 -15.231 35.187 1.00 29.36 MOLA

ATOM 1092 O SΞR 175 44.731 -14.596 35.806 1.00 31.55 MOLA

ATOM 1093 N ARG 176 44.117 -15.894 34.062 1.00 30.34 MOLA

ATOM 1094 CA ARG 176 45.455 -15.980 33.476 1.00 33.16 MOLA

ATOM 1095 CB ARG 176 45.512 -17.143 32.476 1.00 36.51 MOLA

ATOM 1096 CG ARG 176 46.900 -17.397 31.837 1.00 44.16 MOLA

ATOM 1097 CD ARG 176 47.801 -18.262 32.738 1.00 45.56 MOLA

ATOM 1098 NΞ ARG 176 47.117 -19.502 1.00 49.34 MOLA

ATOM 1099 CZ ARG 176 47.112 -20.630 32.405 1.00 52.71 MOLA

ATOM 1100 NH1 ARG 176 46.439 -21.688 32.847 1.00 51.48 MOLA

ATOM 1101 NH2 ARG 176 47.790 -20.719 31.262 1.00 52.27 MOLA

ATOM 1102 C ARG 176 46.005 -14.720 32.819 1.00 34.73 MOLA

ATOM 1103 O ARG 176 47.213 -14.494 32.882 1.00 32.47 MOLA

ATOM 1104 N VAL 177 45.163 -13.912 32.162 1.00 33.76 MOLA

ATOM 1105 CA VAL 177 45.682 -12.690 31.552 1.00 35.82 MOLA

ATOM 1106 CB VAL 177 44.984 -12.338 30.186 1.00 34.50 MOLA

ATOM 1107 CGI VAL 177 45.037 -13.527 29.249 1.00 32.58 MOLA

ATOM 1108 CG2 VAL 177 43.551 -11.897 30.410 1.00 31.40 MOLA

ATOM 1109 C VAL 177 45.475 -11.560 32.548 1.00 38.73 MOLA

ATOM 1110 O VAL 177 44.459 -11.518 33.271 1.00 39.93 MOLA

ATOM 1111 N SΞR 178 46.447 -10.653 32.596 1.00 38.64 MOLA

ATOM 1112 CA SΞR 178 46.413 -9.509 33.519 1.00 41.03 MOLA

ATOM 1113 CB SΞR 178 47.843 -8.957 33.743 1.00 42.73 MOLA

ATOM 1114 OG SΞR 178 48.794 -9.991 33.982 1.00 52.35 MOLA

ATOM 1115 C SΞR 178 45.556 -8.363 32.987 1.00 40.61 MOLA

ATOM 1116 O SΞR 178 44.942 -7.613 33.764 1.00 38.92 MOLA

ATOM 1117 N VAL 179 45.512 -8.213 31.663 1.00 35.53 MOLA

ATOM 1118 CA VAL 179 44.738 -7.116 31.101 1.00 33.00 MOLA

ATOM 1119 CB VAL 179 45.113 -6.861 29.594 1.00 31.70 MOLA ATOM 1120 CGI VAL 179 46.591 -6.494 29.482 1.00 32.15 MOLA

ATOM 1121 CG2 VAL 179 ' 44.791 -8.092 28.741 1.00 29.51 MOLA

ATOM 1122 C VAL 179 43.236 -7.354 31.217 1.00 32.35 MOLA

ATOM 1123 O VAL 179 42.785 -8.490 31.379 1.00 32.40 MOLA

ATOM 1124 N PRO 180 42.442 -6.276 31.183 1.00 30.69 MOLA

ATOM 1125 CD PRO 180 42.821 -4.857 31.276 1.00 31.52 MOLA

ATOM 1126 CA PRO 180 40.995 -6.446 31.278 1.00 30.29 MOLA

ATOM 1127 CB PRO 180 40.472 -5.009 31.277 1.00 31.99 MOLA

ATOM 1128 CG PRO 180 41.619 -4.184 30.735 1.00 31.35 MOLA

ATOM 1129 C PRO 180 40.463 -7.288 30.102 1.00 32.54 MOLA

ATOM 1130 O PRO 180 40.967 -7.193 28.976 1.00 30.11 MOLA

ATOM 1131 N VAL 181 39.481 -8.140 30.382 1.00 29.99 MOLA

ATOM 1132 CA VAL 181 38.891 -8.998 29.356 1.00 29.21 MOLA

ATOM 1133 CB VAL 181 38.814 -10.483 29.829 1.00 28.96 MOLA

ATOM 1134 CGI VAL 181 37.963 -11.315 28.860 1.00 29.57 MOLA

ATOM 1135 CG2 VAL 181 40.237 -11.073 29.929 1.00 26.49 MOLA

ATOM 1136 C VAL 181 37.481 -8.469 29.084 1.00 30.20 MOLA

ATOM 1137 O VAL 181 36.722 -8.198 30.013 1.00 27.12 MOLA

ATOM 1138 N ILΞ 182 37.170 -8.309 27.798 1.00 27.73 MOLA

ATOM 1139 CA ILΞ 182 35.874 -7.810 27.335 1.00 28.01 MOLA

ATOM 1140 CB ILΞ 182 36.068 -6.670 26.293 1.00 28.22 MOLA

ATOM 1141 CG2 ILΞ 182 34.705 -6.162 25.789 1.00 27.70 MOLA

ATOM 1142 CGI ILΞ 182 36.874 -5.521 26.900 1.00 28.48 MOLA

ATOM 1143 GDI ILΞ 182 37.418 -4.552 25.826 1.00 29.53 MOLA

ATOM 1144 C ILΞ 182 35.194 -8.978 26.621 1.00 25.91 MOLA

ATOM 1145 O ILΞ 182 35.727 -9.501 25.640 1.00 27.01 MOLA

ATOM 1146 N VAL 183 34.037 -9.400 27.109 1.00 26.71 MOLA

ATOM 1147 CA VAL 183 33.332 -10.502 26.477 1.00 27.74 MOLA

ATOM 1148 CB VAL 183 32.680 -11.443 27.512 1.00 26.54 MOLA

ATOM 1149 CGI VAL 183 31.994 -12.617 26.798 1.00 25.37 MOLA

ATOM 1150 CG2 VAL 183 33.782 -11.988 28.454 1.00 27.52 MOLA

ATOM 1151 C VAL 183 32.274 -9.900 25.573 1.00 29.58 MOLA

ATOM 1152 O VAL 183 31.429 -9.126 26.020 1.00 30.70 MOLA

ATOM 1153 N LYS 184 2 _• D-ϊ -10.257 24.292 1.00 30.12 MOLA

ATOM 1154 CA LYS 184 31.443 -9.735 23.281 1.00 32.29 MOLA

ATOM 1155 CB LYS 184 32.252 -9.217 22.094 1.00 31.99 MOLA

ATOM 1156 CG LYS 184 31.387 -8.562 21.028 1.00 36.41 MOLA

ATOM 1157 CD LYS 184 32.235 -7.927 19.958 1.00 38.94 MOLA

ATOM 1158 CΞ LYS 184 31.375 -7.265 18.880 1.00 40.43 MOLA

ATOM 1159 NZ LYS 184 32.279 -6.594 17.933 1.00 41.77 MOLA

ATOM 1160 C LYS 184 30.438 -10.758 22.785 1.00 35.22 MOLA

ATOM 1161 O LYS 184 30.787 -11.912 22.501 1.00 34.76 MOLA

ATOM 1162 N GLU 185 29.179 -10.335 22.697 1.00 36.66 MOLA

ATOM 1163 CA GLU 185 28.105 -11.191 22.195 1.00 39.08 MOLA

ATOM 1164 CB GLU 185 26.829 -11.014 23.021 1.00 43.40 MOLA

ATOM 1165 CG GLU 185 26.248 -12.275 23.635 1.00 48.83 MOLA

ATOM 1166 CD GLU 185 25.750 -13.291 22.620 1.00 49.72 MOLA

ATOM 1167 OΞ1 GLU 185 25.624 -12.979 21.416 1.00 54.26 MOLA

ATOM 1168 OΞ2 GLU 185 25.462 -14.416 23.050 1.00 50.84 MOLA

ATOM 1169 C GLU 185 27.852 -10.652 20.795 1.00 41.05 MOLA

ATOM 1170 O GLU 185 27.650 -9.456 20.627 1.00 38.05 MOLA

ATOM 1171 N VAL 186 27.857 -11.533 19.802 1.00 42.85 MOLA

ATOM 1172 CA VAL 186 27.629 -11.136 18.422 1.00 46.61 MOLA

ATOM 1173 CB VAL 186 28.617 -11.900 17.485 1.00 48.55 MOLA

ATOM 1174 CGI VAL 186 28.623 -11.280 16.102 1.00 48.53 MOLA ATOM 1175 CG2 VAL 186 30,.027 -11,.901 18,.094 1.00 48.70 MOLA

ATOM 1176 C VAL 186 26. .181 -11, .395 17, .937 1.00 47, .54^' MOLA

ATOM 1177 O VAL 186 25. .697 -12, .527 17. .960 1.00 48 .08 MOLA

ATOM 1178 N GLY 187 25. .479 -10, .338 17, .544 1.00 50, .30 MOLA

ATOM 1179 CA GLY 187 24. .136 -10. .500 16. .994 1.00 50, .48 MOLA

ATOM 1180 C GLY 187 22. .847 -10, .762 17, .758 1.00 49, .41 MOLA

ATOM 1181 O GLY 187 21, .786 -10, .431 17, .224 1.00 52, .11 MOLA

ATOM 1182 N PHΞ 188 22, .877 -11, .353 18, .954 1.00 44, .83 MOLA

ATOM 1183 CA PHΞ 188 21, .603 -11, .581 19, .646 1.00 40, .51 MOLA

ATOM 1184 CB PHΞ 188 21, .332 -13. .090 19, .795 1.00 42, .03 MOLA

ATOM 1185 CG PHΞ 188 21, .125 -13, .790 18, .472 1.00 43, .18 MOLA

ATOM 1186 CD1 PHΞ 188 22, .159 -14. .502 17, .870 1.00 46, .58 MOLA

ATOM 1187 CD2 PHΞ 188 19. .927 -13, .652 17, .781 1.00 44, .36 MOLA

ATOM 1188 CE1 PHΞ 188 22. .000 -15, .057 16, .590 1.00 45, .30 MOLA

ATOM 1189 CΞ2 PHΞ 188 19. .755 -14, .202 16, .502 1.00 43. .45 MOLA

ATOM 1190 CZ PHΞ 188 20. .797 -14, .902 15. .913 1.00 45, .09 MOLA

ATOM 1191 C PHΞ 188 21. .388 -10, .867 20, .979 1.00 37. .51 MOLA

ATOM 1192 O PHΞ 188 20. .422 -11, .152 21, .685 1.00 35, .62 MOLA

ATOM 1193 N GLY 189 22. .267 -9, .926 21. .317 1.00 32. .82 MOLA

ATOM 1194 CA GLY 189 22. .100 -9. .199 22. .563 1.00 33. .25 MOLA

ATOM 1195 C GLY 189 22. .543 -9, .988 23, .774 1.00 32, .05 MOLA

ATOM 1196 O GLY 189 22. .988 -11. .133 23, .651 1.00 33. .41 MOLA

ATOM 1197 N MET 190 22. .423 -9, .385 24, .952 1.00 31, .42 MOLA

ATOM 1198 CA MΞT 190 22. .848 -10, .055 26, .186 1.00 30, .24 MOLA

ATOM 1199 CB MET 190 24. .304 -9. .692 26. .520 1.00 29. .20 MOLA

ATOM 1200 CG MET 190 24, .856 -10, .419 27, .765 1.00 27, .90 MOLA

ATOM 1201 SD MET 190 26, .551 -9. .852 28, .178 1.00 28. .44 MOLA

ATOM 1202 CΞ MET 190 27, .493 -10, .580 26, .782 1.00 24, .07 MOLA

ATOM 1203 C MET 190 21, .949 -9, .660 27, ,343 1.00 30, .34 MOLA

ATOM 1204 O MET 190 21, .666 -8, .475 27, .553 1.00 29. .73 MOLA

ATOM 1205 N SΞR 191 21, .494 -10, .674 28. .074 1.00 29, .40 MOLA

ATOM 1206 CA SΞR 191 20. .618 -10. .489 29. .224 1.00 31. .19 MOLA

ATOM 1207 CB SΞR 191 19. .849 -11, .776 29. .523 1.00 29, .72 MOLA

ATOM 1208 OG SΞR 191 20, .714 -12, .740 30. .117 1.00 32, .08 MOLA

ATOM 1209 C SER 191 21. .416 -10. .127 30. .466 1.00 31, .40 MOLA

ATOM 1210 O SER 191 22. .629 -10, .343 30, .533 1.00 30, .63 MOLA

ATOM 1211 N LYS 192 20. .718 -9. .613 31, .470 1.00 32, .18 MOLA

ATOM 1212 CA LYS 192 21. .389 -9, .247 32, .700 1.00 32, .45 MOLA

ATOM 1213 CB LYS 192 20, .444 -8, .453 33, .623 1.00 32, .83 MOLA

ATOM 1214 CG LYS 192 19. .072 -9, .090 33, .857 1.00 38, .77 MOLA

ATOM 1215 CD LYS 192 18. .105 -8, .082 34, .462 1.00 42, .26 MOLA

ATOM 1216 CΞ LYS 192 16. ^739 -8, .705 34, .752 1.00 49, .44 MOLA

ATOM 1217 NZ LYS 192 16. .792 -9, .645 35, .929 1.00 51, .56 MOLA

ATOM 1218 C LYS 192 21, .950 -10, .496 33, .397 1.00 32, .59 MOLA

ATOM 1219 O LYS 192 23, .018 -10. .435 34. .016 1.00 31, .45 MOLA

ATOM 1220 N ALA 193 21, .262 -11, .630 33, .296 1.00 30, .84 MOLA

ATOM 1221 CA ALA 193 21, .783 -12, .852 33, .928 1.00 31, .44 MOLA

ATOM 1222 CB ALA 193 20, .754 -13, .981 33, .853 1.00 33, .30 MOLA

ATOM 1223 C ALA 193 23, .095 -13, .288 33, .267 1.00 32, .06 MOLA

ATOM 1224 O ALA 193 24, .035 -13. .717 33, .954 1.00 32, .21 MOLA

ATOM 1225 N SER i94 23, .175 -13, .165 31, .940 1.00 32, .04 MOLA

ATOM 1226 CA SER 194 24, .389 -13, .542 31, .220 1.00 33, .20 MOLA

ATOM 1227 CB SER 194 24, .164 -13, .512 29, .705 1.00 32, .85 MOLA

ATOM 1228 OG SER 194 23, .304 -14, .566 29, .301 1.00 35, .42 MOLA

ATOM 1229 C SER 194 25, .542 -12, .614 31, .576 1.00 32. .93 MOLA ATOM 1230 O SΞR 194 26.684 -13.074 31.769 1.00 32.77 MOLA

ATOM 1231 N ALA 195 25.275 -11.312 31.645 1.00 31.72 MOLA

ATOM 1232 CA ALA 195 26.348 -10.373 32.003 1.00 30.75 MOLA

ATOM 1233 CB ALA 195 25.867 -8.921 31.902 1.00 28.93 MOLA

ATOM 1234 C ALA 195 26.822 -10.666 33.430 1.00 32.16 MOLA

ATOM 1235 O ALA 195 28.018 -10.629 33.687 1.00 30.43 MOLA

ATOM 1236 N GLY 196 25.883 -10.936 34.346 1.00 31.67 MOLA

ATOM 1237 CA GLY 196 26.249 -11.238 35.724 1.00 32.01 MOLA

ATOM 1238 C GLY 196 27.233 -12.399 35.820 1.00 31.28 MOLA

ATOM 1239 O GLY 196 28.213 -12.335 36.555 1.00 29.75 MOLA

ATOM 1240 N LYS 197 26.974 -13.454 35.061 1.00 31.45 MOLA

ATOM 1241 CA LYS 197 27.850 -14.610 35.035 1.00 32.78 MOLA

ATOM 1242 CB LYS 197 27.257 -15.725 34.167 1.00 34.88 MOLA

ATOM 1243 CG LYS 197 26.069 -16.443 34.817 1.00 37.83 MOLA

ATOM 1244 CD LYS 197 25.497 -17.497 33.896 1.00 43.34 MOLA

ATOM 1245 CΞ LYS 197 24.438 -18.321 34.615 1.00 47.46 MOLA

ATOM 1246 NZ LYS 197 24.114 -19.543 33.824 1.00 51.99 MOLA

ATOM 1247 C LYS 197 29.225 -14.239 34.505 1.00 32.55 MOLA

ATOM 1248 O LYS 197 30.246 -14.704 35.022 1.00 30.21 MOLA

ATOM 1249 N LΞϋ 198 29.266 -13.425 33.455 1.00 30.70 MOLA

ATOM 1250 CA LΞU 198 30.550 -13.013 32.898 1.00 28.73 MOLA

ATOM 1251 CB LEU 198 30.330 -12.298 31.551 1.00 27.79 MOLA

ATOM 1252 CG LΞU 198 29.753 -13.254 30.484 1.00 27.27 MOLA

ATOM 1253 CD1 LΞU 198 29.225 -12.441 29.294 1.00 29.82 MOLA

ATOM 1254 CD2 LΞU 198 30.835 -14.248 30.017 1.00 25.98 MOLA

ATOM 1255 C LΞU 198 31.318 -12.141 33.889 1.00 28.57 MOLA

ATOM 1256 O LΞU 198 32.542 -12.309 34.060 1.00 29.05 MOLA

ATOM 1257 N TYR 199 30.628 -11.220 34.554 1.00 27.50 MOLA

ATOM 1258 CA TYR 199 31.316 -10.378 35.539 1.00 30.51 MOLA

ATOM 1259 CB TYR 199 30.385 -9.275 36.082 1.00 29.74 MOLA

ATOM 1260 CG TYR 199 30.059 -8.166 35.087 1.00 30.72 MOLA

ATOM 1261 CD1 TYR 199 28.753 -7.721 34.924 1.00 29.92 MOLA

ATOM 1262 CΞ1 TYR 199 28.437 -6.670 34.034 1.00 29.68 MOLA

ATOM 1263 CD2 TYR 199 31 • 058 -7.540 1.00 30.34 MOLA

ATOM 1264 CΞ2 TYR 199 30.747 -6.480 33.444 1.00 30.55 MOLA

ATOM 1265 CZ TYR 199 29.428 -6.062 33.306 1.00 30.49 MOLA

ATOM 1266 OH TYR 199 29.091 -5.026 32.442 1.00 31.39 MOLA

ATOM 1267 C TYR 199 31.830 -11.254 36.696 1.00 32.69 MOLA

ATOM 1268 O TYR 199 32.941 -11.049 37.180 1.00 30.24 MOLA

ATOM 1269 N GLU 200 31.037 -12.230 37.137 1.00 34.08 MOLA

ATOM 1270 CA GLU 200 31.509 -13.100 38.217 1.00 38.93 MOLA

ATOM 1271 CB GLU 200 30.418 -14.068 38.705 1.00 44.21 MOLA

ATOM 1272 CG GLU 200 29.303 -13.416 39.480 1.00 53.70 MOLA

ATOM 1273 CD GLU 200 28.693 -14.362 40.518 1.00 60.26 MOLA

ATOM 1274 OΞ1 GLU 200 28.581 -15.580 40.229 1.00 60.88 MOLA

ATOM 1275 OΞ2 GLU 200 28.319 -13.878 41.614 1.00 61.82 MOLA

ATOM 1276 C GLU 200 32.703 -13.925 37.770 1.00 36.43 MOLA

ATOM 1277 O GLU 200 33.558 -14.250 38.581 1.00 36.50 MOLA

ATOM 1278 N ALA 201 32.760 -14.280 36.487 1.00 33.30 MOLA

ATOM 1279 CA ALA 201 33.881 -15.060 35.981 1.00 31.67 MOLA

ATOM 1280 CB ALA 201 33.549 -15.646 34.609 1.00 31.36 MOLA

ATOM 1281 C ALA 201 35.155 -14.212 35.906 1.00 31.12 MOLA

ATOM 1282 O ALA 201 36.257 -14.741 35.721 1.00 31.55 MOLA

ATOM 1283 N GLY 202 35.011 -12.897 36.048 1.00 29.66 MOLA

ATOM 1284 CA GLY 202 36.170 -12.025 36.000 1.00 29.41 MOLA ATOM 1285 C GLY 202 36.245 -11.040 34.827 1.00 29.49 MOLA

ATOM 1286 O GLY 202 37.210 -10.297 34.718 1.00 28.19 MOLA

ATOM 1287 N ALA 203 35.252 -11.035 33.945 1.00 28.70 MOLA

ATOM 1288 CA ALA 203 35.268 -10.097 32.814 1.00 27.57 MOLA

ATOM 1289 CB ALA 203 34.024 -10.352 31.906 1.00 28.94 MOLA

ATOM 1290 C ALA 203 35.263 -8.642 33.281 1.00 26.64 MOLA

ATOM 1291 O ALA 203 34.504 -8.275 34.186 1.00 27.11 MOLA

ATOM 1292 N ALA 204 36.096 -7.795 32.680 1.00 26.65 MOLA

ATOM 1293 CA ALA 204 36.077 -6.379 33.041 1.00 28.01 MOLA

ATOM 1294 CB ALA 204 37.409 -5.707 32.652 1.00 26.53 MOLA

ATOM 1295 C ALA 204 34.899 -5.651 32.357 1.00 28.94 MOLA

ATOM 1296 O ALA 204 34.420 -4.624 32.851 1.00 30.54 MOLA

ATOM 1297 N ALA 205 34.410 -6.192 31.242 1.00 27.47 MOLA

ATOM 1298 CA ALA 205 33.327 -5.532 30.517 1.00 28.55 MOLA

ATOM 1299 CB ALA 205 33.904 -4.365 29.669 1.00 26.89 MOLA

ATOM 1300 C ALA 205 32.600 -6.480 29.593 1.00 28.75 MOLA

ATOM 1301 O ALA 205 33.113 -7.554 29.254 1.00 27.62 MOLA

ATOM 1302 N VAL 206 31.381 -6.101 29.209 1.00 28.62 MOLA

ATOM 1303 CA VAL 206 30.661 -6.887 28.207 1.00 29.03 MOLA

ATOM 1304 CB VAL 206 29.292 -7.457 28.690 1.00 28.45 MOLA

ATOM 1305 CGI VAL 206 29.510 -8.463 29.857 1.00 27.92 MOLA

ATOM 1306 CG2 VAL 206 28.354 -6.332 29.108 1.00 30.17 MOLA

ATOM 1307 C VAL 206 30.445 -5.925 27.034 1.00 29.84 MOLA

ATOM 1308 O VAL 206 30.285 -4.719 27.227 1.00 30.19 MOLA

ATOM 1309 N ASP 207 30.466 -6.473 25.821 1.00 31.40 MOLA

ATOM 1310 CA ASP 207 30.307 -5.705 24.587 1.00 31.24 MOLA

ATOM 1311 CB ASP 207 31.564 -5.912 23.725 1.00 32.07 MOLA

ATOM 1312 CG ASP 207 31.553 -5.115 22.427 1.00 31.63 MOLA

ATOM 1313 OD1 ASP 207 30.463 -4.763 21.900 1.00 32.29 MOLA

ATOM 1314 OD2 ASP 207 32.656 -4.863 21.918 1.00 32.36 MOLA

ATOM 1315 C ASP 207 29.060 -6.279 23.907 1.00 34.02 MOLA

ATOM 1316 O ASP 207 29.009 -7.468 23.551 1.00 35.09 MOLA

ATOM 1317 N ILΞ 208 28.041 -5.441 23.775 1.00 35.08 MOLA

ATOM 1318 CA ILE 208 26.781 - 5 • 829 1.00 •3 / J 3 MOLA

ATOM 1319 CB ILΞ 208 25.596 -4.983 23.712 1.00 38.59 MOLA

ATOM 1320 CG2 ILΞ 208 24.277 -5.458 23.118 1.00 37.43 MOLA

ATOM 1321 CGI ILΞ 208 25.574 -5.059 25.243 1.00 38.90 MOLA

ATOM 1322 CD1 ILΞ 208 25.750 -6.447 25.779 1.00 41.83 MOLA

ATOM 1323 C ILΞ 208 26.935 -5.523 21.668 1.00 39.57 MOLA

ATOM 1324 O ILΞ 208 26.827 -4.366 21.268 1.00 36.39 MOLA

ATOM 1325 N GLY 209 27.215 -6.555 20.871 1.00 44.31 MOLA

ATOM 1326 CA GLY 209 27.428 -6.375 19.444 1.00 51.61 MOLA

ATOM 1327 C GLY 209 26.143 -6.466 18.653 1.00 56.02 MOLA

ATOM 1328 O GLY 209 26.175 -6.739 17.457 1.00 57.11 MOLA

ATOM 1329 N GLY 210 25.020 -6.220 19.332 1.00 58.59 MOLA

ATOM 1330 CA GLY 210 23.709 -6.289 18.709 1.00 62.02 MOLA

ATOM 1331 C GLY 210 23.680 -6.020 17.214 1.00 64.58 MOLA

ATOM 1332 O GLY 210 23.017 -6.743 16.456 1.00 66.50 MOLA

ATOM 1333 N ARG 226 17.225 -24.676 7.502 1.00 69.83 MOLA

ATOM 1334 CA ARG 226 15.883 -24.766 8.076 1.00 69.91 MOLA

ATOM 1335 CB ARG 226 15.372 -26.205 7.971 0.00 69.01 MOLA

ATOM 1336 CG ARG 226 15.431 -26.780 6.565 0.00 68.16 MOLA

ATOM 1337 CD ARG 226 15.036 -28.247 6.550 0.00 67.50 MOLA

ATOM 1338 NΞ ARG 226 15.189 -28.846 5.227 0.00 66.99 MOLA

ATOM 1339 CZ ARG 226 14.942 -30.123 4.952 0.00 66.75 MOLA ATOM 1340 NH1 ARG 226 15.,109 -30..582 3..719 0.00 66..61 MOLA

ATOM 1341 NH2 ARG 226 14. ,528 -30. .942 5. .909 0.00 66. .61 MOLA

ATOM 1342 C ARG 226 15. ,870 -24. .318 9. .543 1.00 70, .29 MOLA

ATOM 1343 O ARG 226 14, ,840 -23. .897 10. .069 1.00 70, .57 MOLA

ATOM 1344 N GLN 227 17, ,022 -24. .412 10. .196 1.00 70, .42 MOLA

ATOM 1345 CA GLN 227 17, ,148 -24. .022 11, .596 1.00 69, .79 MOLA

ATOM 1346 CB GLN 227 18, ,358 -24. .716 12, .227 1.00 70. .74 MOLA

ATOM 1347 CG GLN 227 18. .249 -26. .233 12, .359 1.00 73. .42 MOLA

ATOM 1348 CD GLN 227 18. ,147 -26. .960 11, .024 1.00 75. .00 MOLA

ATOM 1349 OΞ1 GLN 227 17. .088 -26. .980 10, .386 1.00 75. .83 MOLA

ATOM 1350 NΞ2 GLN 227 19. .255 -27, .559 10, .594 1.00 75, .48 MOLA

ATOM 1351 C GLN 227 17. .312 -22. .511 11, .727 1.00 68. .59 MOLA

ATOM 1352 O GLN 227 16, ,915 -21. .914 12, .730 1.00 68, .33 MOLA

ATOM 1353 N ILΞ 228 17, ,905 -21. .900 10, .706 1.00 67, .57 MOLA

ATOM 1354 CA ILΞ 228 18, ,141 -20. .461 10, .695 1.00 65, .75 MOLA

ATOM 1355 CB ILΞ 228 18, ,797 -20, .018 9. .369 1.00 66, .05 MOLA

ATOM 1356 CG2 ILΞ 228 19, .014 -18. .504 9, .370 1.00 66, .90 MOLA

ATOM 1357 CGI ILΞ 228 20, .134 -20. .739 9, .188 1.00 66, .38 MOLA

ATOM 1358 CD1 ILΞ 228 20, .809 -20. .446 7, .857 1.00 66, ,89 MOLA

ATOM 1359 C ILΞ 228 16, .848 -19, .678 10, .889 1.00 64, ,39 MOLA

ATOM 1360 O ILΞ 228 16, .844 -18, .610 11, .509 1.00 63, ,97 MOLA

ATOM 1361 N SΞR 229 15. .753 -20, .210 10, .353 1.00 61, .45 MOLA

ATOM 1362 CA SΞR 229 14, .453 -19, .556 10, .473 1.00 58, ,83 MOLA

ATOM 1363 CB SΞR 229 13, .386 -20, .378 9, .744 1.00 60, .34 MOLA

ATOM 1364 OG SΞR 229 13, .368 -21, .715 10, .223 1.00 62, ,14 MOLA

ATOM 1365 C SΞR 229 14, .041 -19. .375 11, .936 1.00 55, .86 MOLA

ATOM 1366 O SΞR 229 13, .405 -18. .386 12, .285 1.00 55, .62 MOLA

ATOM 1367 N PHΞ 230 14, .409 -20. .336 12, .779 1.00 52, .94 MOLA

ATOM 1368 CA PHΞ 230 14, .068 -20. .297 14, .200 1.00 51, .90 MOLA

ATOM 1369 CB PHΞ 230 14, .657 -21, .517 14, .921 1.00 53, .32 MOLA

ATOM 1370 CG PHΞ 230 14, .139 -22, .846 14, .415 1.00 54, .93 MOLA

ATOM 1371 CD1 PHΞ 230 14, .901 -24. .006 14. .571 1.00 55. .27 MOLA

ATOM 1372 CD2 PHΞ 230 12, .883 -22, .951 13, .814 1.00 55, .90 MOLA

ATOM 1373 CΞ1 PHE 230 14, .424 -25, .248 14, .137 1.00 54, .79 MOLA

ATOM 1374 CΞ2 PHΞ 230 12, .396 -24, .192 13, .378 1.00 55. .33 MOLA

ATOM 1375 CZ PHΞ 230 13, .170 -25, .340 13, .540 1.00 54, .56 MOLA

ATOM 1376 C PHΞ 230 14, .583 -19, .026 14, .873 1.00 50, .91 MOLA

ATOM 1377 O PHΞ 230 13, .998 -18, .543 15, .841 1.00 49, .62 MOLA

ATOM 1378 N PHΞ 231 15, .667 -18, .475 14, .347 1.00 48, .49 MOLA

ATOM 1379 CA PHE 231 16, .249 -17, .296 14, .942 1.00 48, .98 MOLA

ATOM 1380 CB PHΞ 231 17 .748 -17, .520 15, .093 1.00 49, .64 MOLA

ATOM 1381 CG PHΞ 231 18 .075 -18, .838 15, .718 1.00 51, .04 MOLA

ATOM 1382 CD1 PHΞ 231 18 .635 -19 .854 14 .959 1.00 52, .46 MOLA

ATOM 1383 CD2 PHΞ 231 17 .718 -19 .108 17 .044 1.00 51, .52 MOLA

ATOM 1384 CΞ1 PHE 231 18 .831 -21 .127 15 .500 1.00 51, .75 MOLA

ATOM 1385 CΞ2 PHΞ 231 17 .908 -20 .382 17 .598 1.00 51, .41 MOLA

ATOM 1386 CZ PHΞ 231 18 .466 -21 .396 16 .819 1.00 52, .04 MOLA

ATOM 1387 C PHΞ 231 15 .959 -15 .984 14 .244 1.00 48, .67 MOLA

ATOM 1388 O PHΞ 231 16 .628 -14 .996 14 .501 1.00 48, .77 MOLA

ATOM 1389 N ASN 232 14 .949 -15 .972 13 .383 1.00 48, .38 MOLA

ATOM 1390 CA ASN 232 14 .564 -14 .762 12 .662 1.00 50, .74 MOLA

ATOM 1391 CB ASN 232 13 .419 -15 .064 11 .693 1.00 54, .29 MOLA

ATOM 1392 CG ASN 232 13 .910 -15 .480 10 .327 1.00 57, .69 MOLA

ATOM 1393 OD1 ASN 232 14 .634 -16 .465 10 .185 1.00 60, .00 MOLA

ATOM 1394 ND2 ASN 232 13 .515 -14 .731 9 .306 1.00 62, .39 MOLA ATOM 1395 C ASN 232 14.,132 -13.613 13.,573 1.00 49..67 MOLA

ATOM 1396 O ASN 232 14. ,356 -12.446 13. ,261 1.00 49. .15 MOLA

ATOM 1397 N SΞR 233 13. ,482 -13.946 14. ,685 1.00 49. .07 MOLA

ATOM 1398 CA SER 233 13. ,013 -12.937 15. ,633 1.00 48. .65 MOLA

ATOM 1399 CB SΞR 233 11. ,481 -12.922 15. .683 1.00 49. .39 MOLA

ATOM 1400 OG SΞR 233 10. ,928 -12.567 14. ,431 1.00 52. .41 MOLA

ATOM 1401 C SΞR 233 13. .559 -13.301 17. ,002 1.00 46. ,74 MOLA

ATOM 1402 O SΞR 233 12. .868 -13.179 18. ,007 1.00 47. ,82 MOLA

ATOM 1403 N TRP 234 14. .806 -13.751 17. ,029 1.00 44. ,49 MOLA

ATOM 1404 CA TRP 234 15. .446 -14.177 18. ,270 1.00 40. ,64 MOLA

ATOM 1405 CB TRP 234 16. .263 -15.442 17. ,975 1.00 37, .94 MOLA

ATOM 1406 CG TRP 234 16. ,828 -16.155 19. ,179 1.00 37, ,17 MOLA

ATOM 1407 CD2 TRP 234 16. ,294 -17.328 19. ,816 1.00 36. ,58 MOLA

ATOM 1408 CΞ2 TRP 234 17. ,147 -17.641 20. ,901 1.00 35. ,16 MOLA

ATOM 1409 CΞ3 TRP 234 15. ,175 -18.147 19. ,575 1.00 35. ,25 MOLA

ATOM 1410 CD1 TRP 234 17. .951 -15.817 19. .882 1.00 36. ,54 MOLA

ATOM 1411 NΞ1 TRP 234 18. .151 -16.706 20. ,915 1.00 35. .82 MOLA

ATOM 1412 CZ2 TRP 234 16. .920 -18.729 21. ,745 1.00 33. .59 MOLA

ATOM 1413 CZ3 TRP 234 14. .952 -19.241 20. ,424 1.00 33. .88 MOLA

ATOM 1414 CH2 TRP 234 15. .820 -19.515 21. ,494 1.00 36. .78 MOLA

ATOM 1415 C TRP 234 16. .356 -13.095 18. ,848 1.00 39. .08 MOLA

ATOM 1416 O TRP 234 16. .900 -12.282 18. ,115 1.00 38. .29 MOLA

ATOM 1417 N GLY 235 16. .509 -13.065 20. ,168 1.00 38. .78 MOLA

ATOM 1418 CA GLY 235 17. .434 -12.099 20. .735 1.00 36. .81 MOLA

ATOM 1419 C GLY 235 16. .899 -10.907 21. .489 1.00 36, .14 MOLA

ATOM 1420 O GLY 235 15. .688 -10.700 21. .598 1.00 34, .35 MOLA

ATOM 1421 N ILΞ 236 17. .841 -10.123 21. .996 1.00 34, .46 MOLA

ATOM 1422 CA ILΞ 236 17, .565 -8.924 22. .772 1.00 33, .46 MOLA

ATOM 1423 CB ILΞ 236 18, .204 -9.038 24. .162 1.00 33, .37 MOLA

ATOM 1424 CG2 ILΞ 236 17, .846 -7.799 25. .008 1.00 31. .78 MOLA

ATOM 1425 CGI ILΞ 236 17, .745 -10.343 24. .826 1.00 33, .20 MOLA

ATOM 1426 GDI ILΞ 236 18, .417 -10.638 26. .150 1.00 32, .69 MOLA

ATOM 1427 C ILΞ 236 18. .242 -7.790 22. .017 1.00 33, .57 MOLA

ATOM 1428 O ILE 236 19, .394 -7.921 21, .610 1.00 31. .19 MOLA

ATOM 1429 N SΞR 237 17, .551 -6.673 21, .822 1.00 31, .82 MOLA

ATOM 1430 CA SΞR 237 18, .170 -5.572 21, .083 1.00 30, .54 MOLA

ATOM 1431 CB SΞR 237 17, .115 -4.508 20, .754 1.00 29, .13 MOLA

ATOM 1432 OG SΞR 237 16, .727 -3.831 21, .947 1.00 32, .49 MOLA

ATOM 1433 C SΞR 237 19, .304 -4.924 21, .888 1.00 29, .11 MOLA

ATOM 1434 O SΞR 237 19, .424 -5.120 23, .116 1.00 29, .24 MOLA

ATOM 1435 N THR 238 20 .124 -4.136 21, .200 1.00 28, .53 MOLA

ATOM 1436 CA THR 238 21, .211 -3.414 21, .865 1.00 29, .46 MOLA

ATOM 1437 CB THR 238 22 .034 -2.595 20, .834 1.00 29, .34 MOLA

ATOM 1438 OG1 THR 238 22 .677 -3.507 19, .942 1.00 30, .82 MOLA

ATOM 1439 CG2 THR 238 23 .140 -1.756 21, .512 1.00 29 .37 MOLA

ATOM 1440 C THR 238 20 .628 -2.494 22, .958 1.00 29 .32 MOLA

ATOM 1441 O THR 238 21 .073 -2.519 24, .107 1.00 28 .33 MOLA

ATOM 1442 N ALA 239 19 .603 -1.715 22 .624 1.00 29 .06 MOLA

ATOM 1443 CA ALA 239 19 .021 -0.817 23 .613 1.00 28 .83 MOLA

ATOM 1444 CB ALA 239 17 .889 0.029 22 .973 1.00 26 .35 MOLA

ATOM 1445 C ALA 239 18 .497 -1.541 24 .852 1.00 29 .57 MOLA

ATOM 1446 O ALA 239 18 .754 -1.126 25, .983 1.00 30, .49 MOLA

ATOM 1447 N ALA 240 17 .745 -2.617 24, .657 1.00 27, .84 MOLA

ATOM 1448 CA ALA 240 17 .211 -3.354 25, .799 1.00 28, .42 MOLA

ATOM 1449 CB ALA 240 16 .181 -4.398 25 .325 1.00 26, .87 MOLA ATOM 1450 C ALA 240 18.319 -4.036 26.610 1.00 29.54 MOLA

ATOM 1451 O ALA 240 18.253 -4.073 27.839 1.00 27.55 MOLA

ATOM 1452 N SΞR 241 19.330 -4.580 25.928 1.00 29.80 MOLA

ATOM 1453 CA SΞR 241 20.443 -5.246 26.621 1.00 29.86 MOLA

ATOM 1454 CB SΞR 241 21.489 -5.783 25.623 1.00 28.30 MOLA

ATOM 1455 OG SΞR 241 20.944 -6.798 24.806 1.00 30.13 MOLA

ATOM 1456 C SΞR 241 21.143 -4.250 27.544 1.00 29.44 MOLA

ATOM 1457 O SΞR 241 21.387 -4.535 28.719 1.00 28.41 MOLA

ATOM 1458 N LΞU 242 21.484 -3.087 27.005 1.00 28.63 MOLA

ATOM 1459 CA LΞU 242 22.173 -2.064 27.798 1.00 29.87 MOLA

ATOM 1460 CB LΞU 242 22.467 -0.824 26.937 1.00 28.77 MOLA

ATOM 1461 CG LΞU 242 23.502 -0.995 25.821 1.00 29.27 MOLA

ATOM 1462 CD1 LΞU 242 23.453 0.251 24.925 1.00 23.96 MOLA

ATOM 1463 CD2 LΞU 242 24.892 -1.187 26.418 1.00 28.70 MOLA

ATOM 1464 C LΞU 242 21.354 -1.649 29.021 1.00 29.61 MOLA

ATOM 1465 O LΞU 242 21.882 -1.596 30.138 1.00 29.38 MOLA

ATOM 1466 N ALA 243 20.071 -1.355 28.817 1.00 29.12 MOLA

ATOM 1467 CA ALA 243 19.213 -0.961 29.935 1.00 28.53 MOLA

ATOM 1468 CB ALA 243 17.832 -0.555 29.430 1.00 28.89 MOLA

ATOM 1469 C ALA 243 19.073 -2.076 30.965 1.00 29.30 MOLA

ATOM 1470 O ALA 243 19.131 -1.831 32.172 1.00 31.71 MOLA

ATOM 1471 N GLU 244 18.874 -3.297 30.494 1.00 31.05 MOLA

ATOM 1472 CA GLU 244 18.722 -4.462 31.378 1.00 33.05 MOLA

ATOM 1473 CB GLU 244 18.460 -5.709 30.527 1.00 36.94 MOLA

ATOM 1474 CG GLU 244 17.340 -6.586 30.991 1.00 41.70 MOLA

ATOM 1475 CD GLU 244 17.246 -7.859 30.174 1.00 41.36 MOLA

ATOM 1476 OE1 GLU 244 18.134 -8.723 30.346 1.00 36.68 MOLA

ATOM 1477 ^' OΞ2 GLU 244 16.301 -7.978 29.352 1.00 38.72 MOLA

ATOM 1478 C GLU 244 19.985 -4.696 32.209 1.00 32.77 MOLA

ATOM 1479 O GLU 244 19.926 -4.849 33.437 1.00 32.09 MOLA

ATOM 1480 N ILΞ 245 21.134 -4.732 31.546 1.00 29.14 MOLA

ATOM 1481 CA ILΞ 245 22.382 -4.977 32.268 1.00 29.51 MOLA

ATOM 1482 CB ILΞ 245 23.545 -5.193 31.279 1.00 28.67 MOLA

ATOM 1483 CG2 ILE 245 24.885 -5.273 32.033 1.00 29.87 MOLA

ATOM 1484 CGI ILΞ 245 23.274 -6.480 30.474 1.00 27.56 MOLA

ATOM 1485 CD1 ILΞ 245 24.179 -6.651 29.253 1.00 26.37 MOLA

ATOM 1486 C ILΞ 245 22.690 -3.847 33.245 1.00 32.44 MOLA

ATOM 1487 O ILΞ 245 23.068 -4.097 34.397 1.00 33.53 MOLA

ATOM 1488 N ARG 246 22.510 -2.609 32.807 1.00 30.14 MOLA

ATOM 1489 CA ARG 246 22.772 -1.467 33.670 1.00 34÷84 MOLA

ATOM 1490 CB ARG 246 22.525 -0.175 32.909 1.00 33.81 MOLA

ATOM 1491 CG ARG 246 22.889 1.052 33.682 1.00 39.03 MOLA

ATOM 1492 CD ARG 246 22.378 2.264 32.984 1.00 37.99 MOLA

ATOM 1493 NΞ ARG 246 23.175 3.429 33.336 1.00 42.06 MOLA

ATOM 1494 CZ ARG 246 23.029 4.627 32.775 1.00 42.53 MOLA

ATOM 1495 NH1 ARG 246 23.807 5.626 33.152 1.00 44.97 MOLA

ATOM 1496 NH2 ARG 246 22.104 4.825 31.849 1.00 37.36 MOLA

ATOM 1497 C ARG 246 21.906 -1.474 34.952 1.00 36.69 MOLA

ATOM 1498 O ARG 246 22.387 -1.083 36.031 1.00 36.41 MOLA

ATOM 1499 N SΞR 247 20.647 -1.907 34.832 1.00 34.70 MOLA

ATOM 1500 CA SΞR 247 19.739 -1.960 35.988 1.00 38.04 MOLA

ATOM 1501 CB SΞR 247 18.333 -2.438 35.572 1.00 36.47 MOLA

ATOM 1502 OG SΞR 247 18.291 -3.831 35.293 1.00 36.39 MOLA

ATOM 1503 C SΞR 247 20.287 -2.871 37.092 1.00 38.46 MOLA

ATOM 1504 O SΞR 247 20.094 -2.604 38.279 1.00 37.58 MOLA ATOM 1505 N GLU 248 20.986 -3.934 36.708 1.00 39.47 MOLA

ATOM 1506 CA GLU 248 21.552 -4.853 37.695 1.00 43.10 MOLA

ATOM 1507 CB GLU 248 21.488 -6.299 37.184 1.00 46.57 MOLA

ATOM 1508 CG GLU 248 20.085 -6.858 37.055 1.00 54.79 MOLA

ATOM 1509 CD GLU 248 19.441 -7.155 38.398 1.00 57.62 MOLA

ATOM 1510 OΞ1 GLU 248 18.201 -7.324 38.438 1.00 60.73 MOLA

ATOM 1511 OΞ2 GLU 248 20.174 -7.232 39.409 1.00 59.82 MOLA

ATOM 1512 C GLU 248 22.988 -4.544 38.100 1.00 42.30 MOLA

ATOM 1513 O GLU 248 23.381 -4.822 39.236 1.00 43.69 MOLA

ATOM 1514 N PHΞ 249 23.773 -3.991 37.180 1.00 39.38 MOLA

ATOM 1515 CA PHE 249 25.188 -3.667 37.457 1.00 39.50 MOLA

ATOM 1516 CB PHΞ 249 26.094 -4.631 36.683 1.00 37.87 MOLA

ATOM 1517 CG PHE 249 25.733 -6.073 36.882 1.00 42.34 MOLA

ATOM 1518 CD1 PHE 249 24.907 -6.731 35.973 1.00 40.80 MOLA

ATOM 1519 CD2 PHΞ 249 26.131 -6.747 38.034 1.00 43.84 MOLA

ATOM 1520 CΞ1 PHΞ 249 24.475 -8.029 36.207 1.00 41.51 MOLA

ATOM 1521 CΞ2 PHΞ 249 25.704 -8.051 38.284 1.00 44.15 MOLA

ATOM 1522 CZ PHE 249 24.869 -8.696 37.369 1.00 44.51 MOLA

ATOM 1523 C PHE 249 25.463 -2.222 37.041 1.00 39.31 MOLA

ATOM 1524 O PHE 249 26.149 -1.963 36.053 1.00 37.35 MOLA

ATOM 1525 N PRO 250 24.944 -1.257 37.820 1.00 40.00 MOLA

ATOM 1526 CD PRO 250 24.272 -1.481 39.113 1.00 40.65 MOLA

ATOM 1527 CA PRO 250 25.086 0.183 37.563 1.00 40.91 MOLA

ATOM 1528 CB PRO 250 24.367 0.836 38.751 1.00 40.89 MOLA

ATOM 1529 CG PRO 250 23.471 -0.215 39.265 1.00 43.90 MOLA

ATOM 1530 C PRO 250 26.489 0.735 37.413 1.00 40.30 MOLA

ATOM 1531 O PRO 250 26.668 1.733 36.732 1.00 40.47 MOLA

ATOM 1532 N ALA 251 27.465 0.103 38.055 1.00 40.62 MOLA

ATOM 1533 CA ALA 251 28.851 0.569 37.991 1.00 43.94 MOLA

ATOM 1534 CB ALA 251 29.461 0.610 39.407 1.00 43.59 MOLA

ATOM 1535 C ALA 251 29.737 -0.281 37.087 1.00 43.91 MOLA

ATOM 1536 O ALA 251 30.939 -0.051 37.025 1.00 46.62 MOLA

ATOM 1537 N SΞR 252 29.160. -1.254 36.387 1.00 41.28 MOLA

ATOM 1538 CA SER 252 29.964 -2.123 35.524 1.00 39.05 MOLA

ATOM 1539 CB SER 252 29.330 -3.513 35.468 1.00 40.75 MOLA

ATOM 1540 OG SΞR 252 29.499 -4.188 36.706 1.00 41.59 MOLA

ATOM 1541 C SΞR 252 30.166 -1.568 34.115 1.00 36.60 MOLA

ATOM 1542 O SΞR 252 29.353 -0.805 33.607 1.00 35.95 MOLA

ATOM 1543 N THR 253 31.252 -1.966 33.474 1.00 35.50 MOLA

ATOM 1544 CA THR 253 31.548 -1.461 32.144 1.00 34.44 MOLA

ATOM 1545 CB THR 253 33.070 -1.539 31.849 1.00 34.11 MOLA

ATOM 1546 OG1 THR 253 33.778 -0.803 32.853 1.00 35.90 MOLA

ATOM 1547 CG2 THR 253 33.387 -0.969 30.481 1.00 35.91 MOLA

ATOM 1548 C THR 253 30.793 -2.196 31.044 1.00 32.84 MOLA

ATOM 1549 O THR 253 30.814 -3.425 30.962 1.00 33.40 MOLA

ATOM 1550 N MΞT 254 30.112 -1.428 30.200 1.00 32.75 MOLA

ATOM 1551 CA MET 254 29.392 -2.005 29.067 1.00 32.29 MOLA

ATOM 1552 CB MET 254 27.869 -1.842 29.181 1.00 32.53 MOLA

ATOM 1553 CG MET 254 27.219 -2.432 30.414 1.00 31.80 MOLA

ATOM 1554 SD MET 254 25.414 -2.238 30.240 1.00 32.89 MOLA

ATOM 1555 CΞ MET 254 25.201 -0.417 30.350 1.00 30.09 MOLA

ATOM 1556 C MΞT 254 29.854 -1.239 27.847 1.00 31.18 MOLA

ATOM 1557 O MET 254 30.141 -0.036 27.914 1.00 30.10 MOLA

ATOM 1558 N ILE 255 29.936 -1.962 26.741 1.00 29.70 MOLA

ATOM 1559 CA ILE 255 30.334 -1.406 25.471 1.00 28.36 MOLA ATOM 1560 CB ILΞ 255 31.687 -2.016 25.021 1.00 31.28 MOLA

ATOM 1561 CG2 ILΞ 255 31.971 -1.668 23.551 1.00 33.42 MOLA

ATOM 1562 CGI ILΞ 255 32.803 -1. 523 25.937 1.00 31.44 MOLA

ATOM 1563 CD1 ILΞ 255 34.129 -2.274 25.742 1.00 30.20 MOLA

ATOM 1564 C ILΞ 255 29.251 -1.809 24.487 1.00 29.74 MOLA

ATOM 1565 O ILΞ 255 28.643 -2.894 24.633 1.00 29.25 MOLA

ATOM 1566 N ALA 256 28.968 -0.940 23.512 1.00 29.39 MOLA

ATOM 1567 CA ALA 256 27.986 -1.279 22.469 1.00 29.77 MOLA

ATOM 1568 CB ALA 256 26.830 -0.281 22.480 1.00 30.06 MOLA

ATOM 1569 C ALA 256 28.746 184 21.147 1. 00 31.79 MOLA

ATOM 1570 O ALA 256 29.452 207 20.905 1.00 31.53 MOLA

ATOM 1571 N SΞR 257 28.623 -2.185 20.289 1.00 32.94 MOLA

ATOM 1572 CA SΞR 257 29.321 -2.134 19.007 1.00 36.55 MOLA

ATOM 1573 CB SΞR 257 30.636 -2.900 19.126 1.00 37.11 MOLA

ATOM 1574 OG SΞR 257 30.356 -4.255 19.404 1.00 41.24 MOLA

ATOM 1575 C SΞR 257 28.423 -2.737 17.919 1.00 38.45 MOLA

ATOM 1576 O SΞR 257 27.467 -3.434 18.223 1.00 41.89 MOLA

ATOM 1577 N GLY 258 28.696 -2.466 16.653 1.00 42.05 MOLA

ATOM 1578 CA GLY 258 27.828 -3.030 15.630 1.00 42.55 MOLA

ATOM 1579 C GLY 258 26.428 -2.429 15.547 1.00 42.38 MOLA

ATOM 1580 O GLY 258 25.682 -2.358 16.530 1.00 44.60 MOLA

ATOM 1581 N GLY 259 26.058 -1. .989 14.357 1.00 42.02 MOLA

ATOM 1582 CA GLY 259 24.741 -1..412 14.186 1.00 42.58 MOLA

ATOM 1583 C GLY 259 24.620 0. ,066 14.518 1.00 40.66 MOLA

ATOM 1584 O GLY 259 23.580 0. ,655 14.241 1.00 41.20 MOLA

ATOM 1585 N LEU 260 25.645 0..676 15.114 1.00 39.68 MOLA

ATOM 1586 CA LEU 260 25.553 2..102 15.440 1.00 39.41 MOLA

ATOM 1587 CB LEU 260 26.588 2..488 16.509 1.00 38.79 MOLA

ATOM 1588 CG LΞU 260 26.592 1.593 17.763 1.00 38.79 MOLA

ATOM 1589 CD1 LΞU 260 27.682 2.031 18.722 1.00 38.43 MOLA

ATOM 1590 CD2 LΞU 260 25.248 1. ,668 18.455 1.00 37.56 MOLA

ATOM 1591 C LΞU 260 25.798 2..853 14.136 1.00 41.67 MOLA

ATOM 1592 O LΞU 260 26.885 2, .799 13.566 1.00 42.39 MOLA

ATOM 1593 N GLN 261 24.779 3..558 13.664 1.00 43.70 MOLA

ATOM 1594 CA GLN 261 24.882 4..258 12.393 1.00 45.21 MOLA

ATOM 1595 CB GLN 261 23.486 4..382 11.772 1.00 50.57 MOLA

ATOM 1596 CG GLN 261 22.810 3..040 11.531 1.00 57.10 MOLA

ATOM 1597 CD GLN 261 21.355 3..166 11.100 1. 00 62.29 MOLA

ATOM 1598 OE1 GLN 261 20.637 2..164 11.014 1.00 65.93 MOLA

ATOM 1599 NΞ2 GLN 261 20.913 4..395 10.824 1.00 65.26 MOLA

ATOM 1600 C GLN 261 25.556 5.617 12.392 1, 00 43.67 MOLA

ATOM 1601 O GLN 261 26.166 5.996 11.396 1.00 43.74 MOLA

ATOM 1602 N ASP 262 25.466 6.359 13.490 1.00 39.63 MOLA

ATOM 1603 CA ASP 262 26.058 7.689 13.515 1.00 37.82 MOLA

ATOM 1604 CB ASP 262 25.142 8.667 12.765 1.00 37.53 MOLA

ATOM 1605 CG ASP 262 23.715 8.646 13.295 1.00 40.57 MOLA

ATOM 1606 OD1 ASP 262 23.521 8.327 14.490 1.00 38.30 MOLA

ATOM 1607 OD2 ASP 262 22.779 8.957 12.529 1.00 43.01 MOLA

ATOM 1608 C ASP 262 26.274 8.172 14.943 1.00 35.80 MOLA

ATOM 1609 O ASP 262 26.039 7.425 15.890 1. 00 35.93 MOLA

ATOM 1610 N ALA 263 26.694 9.423 15.101 1.00 33.07 MOLA

ATOM 1611 CA ALA 263 26.950 9.953 16.442 1.00 33.06 MOLA

ATOM 1612 CB ALA 263 27.549 11.372 16.361 1.00 31.43 MOLA

ATOM 1613 C ALA 263 25.722 9.953 17.354 1.00 31.28 MOLA

ATOM 1614 O ALA 263 25.864 9.871 18.569 1.00 31.48 MOLA ATOM 1615 N LΞU 264 24.527 10.062 16.785 1.00 31.30 MOLA

ATOM 1616 CA LΞU 264 23.317 10.054 17.604 1.00 32.03 MOLA

ATOM 1617 CB LEU 264 22.076 10.431 16.767 1.00 32.13 MOLA

ATOM 1618 CG LΞU 264 20.744 10.482 17.527 1.00 35.64 MOLA

ATOM 1619 CD1 LEU 264 20.903 11.316 18.795 1.00 31.56 MOLA

ATOM 1620 CD2 LEU 264 19.634 11.076 16.654 1.00 35.03 MOLA

ATOM 1621 C LEU 264 23.136 8.676 18.249 1.00 32.60 MOLA

ATOM 1622 O LEU 264 22.761 8.578 19.413 1.00 31.55 MOLA

ATOM 1623 N ASP 265 23.406 7.608 17.499 1.00 31.49 MOLA

ATOM 1624 CA ASP 265 23.290 6.254 18.056 1.00 32.54 MOLA

ATOM 1625 CB ASP 265 23.494 5.196 16.960 1.00 31.33 MOLA

ATOM 1626 CG ASP 265 22.213 4.902 16.174 1.00 33.26 MOLA

ATOM 1627 OD1 ASP 265 22.295 4.173 15.170 1.00 36.33 MOLA

ATOM 1628 OD2 ASP 265 21.130 5.389 16.562 1.00 34.14 MOLA

ATOM 1629 C ASP 265 24.335 6.052 19.160 1.00 31.68 MOLA

ATOM 1630 O ASP 265 24.060 5.406 20.171 1.00 30.04 MOLA

ATOM 1631 N VAL 266 25.530 6.604 18.939 1.00 31.04 MOLA

ATOM 1632 CA VAL 266 26.617 6.523 19.895 1.00 29.95 MOLA

ATOM 1633 CB VAL 266 27.899 7.213 19.356 1.00 32.17 MOLA

ATOM 1634 CGI VAL 266 28.916 7.371 20.456 1.00 28.98 MOLA

ATOM 1635 CG2 VAL 266 28.488 6.392 18.189 1.00 31.98 MOLA

ATOM 1636 C VAL 266 26.173 7.234 21.150 1.00 29.85 MOLA

ATOM 1637 O VAL 266 26.340 6.708 22.248 1.00 27.71 MOLA

ATOM 1638 N ALA 267 25.607 8.431 20.994 1.00 29.37 MOLA

ATOM 1639 CA ALA 267 25.143 9.190 22.152 1.00 29.63 MOLA

ATOM 1640 CB ALA 267 24.591 10.596 21.721 1.00 28.58 MOLA

ATOM 1641 C ALA 267 24.062 8.424 22.910 1.00 28.75 MOLA

ATOM 1642 0 ALA 267 24.083 8.387 24.142 1.00 28.73 MOLA

ATOM 1643 N LYS 268 23.124 7.810 22.188 1.00 27.54 MOLA

ATOM 1644 CA LYS 268 22.052 7.080 22.863 1.00 28.33 MOLA

ATOM 1645 CB LYS 268 20.968 6.678 21.863 1.00 28.90 MOLA

ATOM 1646 CG LYS 268 20.194 7.866 21.300 1.00 27.98 MOLA

ATOM 1647 CD LYS 268 19.156 7.404 20.310 1.00 28.62 MOLA

ATOM 1648 CΞ LYS 268 18.256 8.559 19 • 863 1.00 28.59 MOLA

ATOM 1649 NZ LYS 268 17.248 8.042 18.886 1.00 28.49 MOLA

ATOM 1650 C LYS 268 22.551 5.857 23.620 1.00 28.95 MOLA

ATOM 1651 0 LYS 268 22.089 5.589 24.729 1.00 30.31 MOLA

ATOM 1652 N ALA 269 23.498 5.122 23.031 1.00 28.58 MOLA

ATOM 1653 CA ALA 269 24.064 3.945 23.693 1.00 28.66 MOLA

ATOM 1654 CB ALA 269 25.045 3.215 22.751 1.00 27.60 MOLA

ATOM 1655 C ALA 269 24.786 4.382 24.967 1.00 29.25 MOLA

ATOM 1656 O ALA 269 24.718 3.700 25.990 1.00 29.86 MOLA

ATOM 1657 N ILΞ 270 25.496 5.509 24.900 1.00 30.11 MOLA

ATOM 1658 CA ILΞ 270 26.185 6.021 26.089 1.00 28.87 MOLA

ATOM 1659 CB ILΞ 270 27.109 7.204 25.712 1.00 30.19 MOLA

ATOM 1660 CG2 ILΞ 270 27.694 7.849 26.985 1.00 27.36 MOLA

ATOM 1661 CGI ILΞ 270 28.244 6.678 24.798 1.00 31.26 MOLA

ATOM 1662 CD1 ILΞ 270 29.254 7.718 24.346 1.00 31.23 MOLA

ATOM 1663 C ILΞ 270 25.151 6.421 27.170 1.00 29.61 MOLA

ATOM 1664 O ILΞ 270 25.315 6.109 28.359 1.00 27.58 MOLA

ATOM 1665 N ALA 271 24.074 7.082 26.756 1.00 29.23 MOLA

ATOM 1666 CA ALA 271 23.032 7.494 27.697 1.00 30.00 MOLA

ATOM 1667 CB ALA 271 21.974 8.347 26.975 1.00 28.09 MOLA

ATOM 1668 C ALA 271 22.365 6.273 28.337 1.00 31.38 MOLA

ATOM 1669 O ALA 271 21.855 6.358 29.459 1.00 31.15 MOLA ATOM 1670 N LEU 272 22.352 5.150 27.,619 1.00 30.76 MOLA

ATOM 1671 CA LΞU 272 21.764 3.930 28. ,154 1.00 33.20 MOLA

ATOM 1672 CB LEU 272 21.317 2.981 27. ,033 1.00 30.90 MOLA

ATOM 1673 CG LEU 272 20.066 3.458 26. .277 1.00 31.90 MOLA

ATOM 1674 CD1 LEU 272 19.669 2.450 25. .225 1.00 31.27 MOLA

ATOM 1675 CD2 LEU 272 18.912 3.657 27. .280 1.00 32.26 MOLA

ATOM 1676 C LEU 272 22.747 3.218 29. .064 1.00 33.84 MOLA

ATOM 1677 O LΞU 272 22.418 2.186 29. .650 1.00 37.48 MOLA

ATOM 1678 N GLY 273 23.966 3.740 29. .164 1.00 31.88 MOLA

ATOM 1679 CA GLY 273 24.919 3.116 30. .063 1.00 31.65 MOLA

ATOM 1680 C GLY 273 26.259 2.701 29. .507 1.00 32.45 MOLA

ATOM 1681 O GLY 273 27.159 2.405 30, .296 1.00 32.04 MOLA

ATOM 1682 N ALA 274 26.416 2.676 28. .179 1.00 29.52 MOLA

ATOM 1683 CA ALA 274 27.707 2.282 27, .588 1.00 31.35 MOLA

ATOM 1684 CB ALA 274 27.579 2.163 26, .063 1.00 28.82 MOLA

ATOM 1685 C ALA 274 28.864 3.233 27, .927 1.00 32.26 MOLA

ATOM 1686 O ALA 274 28.690 4.449 27, .944 1.00 32.94 MOLA

ATOM 1687 N SΞR 275 30.054 2.690 28. .177 1.00 30.39 MOLA

ATOM 1688 CA SΞR 275 31.203 3.554 28. .475 1.00 32.51 MOLA

ATOM 1689 CB SΞR 275 32.171 2.884 29. .459 1.00 34.44 MOLA

ATOM 1690 OG SΞR 275 31.571 2.687 30, .722 1.00 41.59 MOLA

ATOM 1691 C SΞR 275 31.976 3.874 27. .211 1.00 32.13 MOLA

ATOM 1692 O SΞR 275 32.699 4.867 27. .149 1.00 32.64 MOLA

ATOM 1693 N CYS 276 31.814 3.029 26, .195 1.00 32.02 MOLA

ATOM 1694 CA CYS 276 32.535 3.184 24. .939 1.00 33.11 MOLA

ATOM 1695 CB CYS 276 33.917 2.481 25. .046 1.00 36.11 MOLA

ATOM 1696 SG CYS 276 35.148 3.164 23. .904 1.00 47.49 MOLA

ATOM 1697 C CYS 276 31.695 2.477 23, .870 1.00 31.16 MOLA

ATOM 1698 O CYS 276 30.879 1.620 24, .203 1.00 30.91 MOLA

ATOM 1699 N THR 277 31.911 2.823 22, .604 1.00 30.01 MOLA

ATOM 1700 CA THR 277 31.181 2.208 21, .490 1.00 31.46 MOLA

ATOM 1701 CB THR 277 30.133 3.170 20, .874 1.00 31.89 MOLA

ATOM 1702 OG1 THR 277 30.793 4.367 20, .431 1.00 30.84 MOLA

ATOM 1703 CG2 THR 277 29.051 3.527 21, .897 1.00 JO _• CO MOLA

ATOM 1704 C THR 277 32.139 1.815 20 .375 1.00 31.68 MOLA

ATOM 1705 O THR 277 33.123 2.501 20 .121 1.00 34.02 MOLA

ATOM 1706 N GLY 278 31.843 0.715 19 .700 1.00 33.00 MOLA

ATOM 1707 CA GLY 278 32.700 0.272 18 .609 1.00 32.74 MOLA

ATOM 1708 C GLY 278 32.021 0.475 17 .263 1.00 35.17 MOLA

ATOM 1709 O GLY 278 30.789 0.395 17 .160 1.00 33.56 MOLA

ATOM 1710 N MΞT 279 32.828 0.725 16 .231 1.00 35.11 MOLA

ATOM 1711 CA MΞT 279 32.339 0.933 14, .870 1.00 37.88 MOLA

ATOM 1712 CB MΞT 279 32.269 2.430 14 .589 1.00 41.07 MOLA

ATOM 1713 CG MΞT 279 31.052 2.851 13 .841 1.00 48.05 MOLA

ATOM 1714 SD MΞT 279 30.935 4.634 13 .766 1.00 51.41 MOLA

ATOM 1715 CΞ MΞT 279 29.689 4.875 14 .995 1.00 49.24 MOLA

ATOM 1716 C MΞT 279 33.304 0.284 13 .874 1.00 40.04 MOLA

ATOM 1717 O MΞT 279 34.519 0.383 14 .045 1.00 38.26 MOLA

ATOM 1718 N ALA 280 32.773 -0.383 12 .849 1.00 40.41 MOLA

ATOM 1719 CA ALA 280 33.614 -1.010 11 .834 1.00 44.95 MOLA

ATOM 1720 CB ALA 280 33.447 -2.521 11 .862 1.00 42.19 MOLA

ATOM 1721 C ALA 280 33.307 -0.488 10 .429 1.00 48.23 MOLA

ATOM 1722 O ALA 280 34.021 0.371 9 .908 1.00 49.73 MOLA

ATOM 1723 N GLY 281 32.240 -1.026 9 .837 1.00 49.47 MOLA

ATOM 1724 CA GLY 281 31.823 -0.671 8 .488 1.00 51.83 MOLA ATOM 1725 C GLY 281 32.142 0.718 7.971 1.00 52.54 MOLA

ATOM 1726 O GLY 281 32.859 0.877 6.984 1.00 52.22 MOLA

ATOM 1727 N HIS 282 31.609 1.728 8.640 1.00 53.69 MOLA

ATOM 1728 CA HIS 282 31.825 3.103 8.234 1.00 54.88 MOLA

ATOM 1729 CB HIS 282 31.148 4.052 9.215 1.00 58.95 MOLA

ATOM 1730 CG HIS 282 30.782 5.366 8.605 1.00 63.00 MOLA

ATOM 1731 CD2 HIS 282 30.147 5.658 7.445 1.00 64.55 MOLA

ATOM 1732 ND1 HIS 282 31.035 6.574 9.221 1.00 64.89 MOLA

ATOM 1733 CΞ1 HIS 282 30.567 7.554 8.466 1.00 66.72 MOLA

ATOM 1734 NΞ2 HIS 282 30.023 7.025 7.383 1.00 67.13 MOLA

ATOM 1735 C HIS 282 33.301 3.481 8.122 1.00 53.34 MOLA

ATOM 1736 O HIS 282 33.707 4.171 7.182 1.00 52.07 MOLA

ATOM 1737 N PHΞ 283 34.104 3.049 9.087 1.00 51.53 MOLA

ATOM 1738 CA PHΞ 283 35.524 3.366 9.048 1.00 49.64 MOLA

ATOM 1739 CB PHΞ 283 36.191 3.087 10.404 1.00 48.20 MOLA

ATOM 1740 CG PHΞ 283 35.695 3.971 11.525 1.00 47.92 MOLA

ATOM 1741 GDI PHΞ 283 35.299 5.286 11.276 1.00 46.17 MOLA

ATOM 1742 CD2 PHΞ 283 35.653 3.493 12.839 1.00 47.12 MOLA

ATOM 1743 CΞ1 PHΞ 283 34.865 6.120 12.316 1.00 47.01 MOLA

ATOM 1744 CΞ2 PHΞ 283 35.222 4.314 13.892 1.00 45.99 MOLA

ATOM 1745 CZ PHΞ 283 34.826 5.632 13.633 1.00 47.13 MOLA

ATOM 1746 C PHΞ 283 36.225 2.572 7.948 1.00 48.47 MOLA

ATOM 1747 O PHΞ 283 37.068 3.114 7.230 1.00 46.48 MOLA

ATOM 1748 N LΞU 284 35.864 1.297 7.818 1.00 47.97 MOLA

ATOM 1749 CA LΞU 284 36.463 0.424 6.815 1.00 50.28 MOLA

ATOM 1750 CB LΞU 284 35.888 -0.991 6.934 1.00 52.16 MOLA

ATOM 1751 CG LΞU 284 35.818 -1.604 8.347 1.00 55.28 MOLA

ATOM 1752 GDI LΞU 284 35.130 -2.966 8.271 1.00 56.31 MOLA

ATOM 1753 CD2 LΞU 284 37.203 -1.730 8.958 1.00 56.23 MOLA

ATOM 1754 C LΞU 284 36.215 0.985 5.412 1.00 51.36 MOLA

ATOM 1755 O LΞU 284 37.126 1.050 4.588 1.00 51.11 MOLA

ATOM 1756 N LYS 285 34.978 1.398 5.155 1.00 51.72 MOLA

ATOM 1757 CA LYS 285 34.602 1.968 3.864 1.00 51.63 MOLA

ATOM 1758 CB LYS 285 33.100 2.272 3.851 1.00 54.75 MOLA

ATOM 1759 CG LYS 285 32.632 3.078 2.649 1.00 58.85 MOLA

ATOM 1760 CD LYS 285 31.187 3.518 2.818 1.00 62.93 MOLA

ATOM 1761 CΞ LYS 285 30.721 4.373 1.647 1.00 64.73 MOLA

ATOM 1762 NZ LYS 285 29.446 5.068 1.981 1.00 67.24 MOLA

ATOM 1763 C LYS 285 35.390 3.249 3.591 1.00 50.70 MOLA

ATOM 1764 O LYS 285 35.865 3.469 2.476 1.00 50.50 MOLA

ATOM 1765 N ALA 286 35.532 4.093 4.608 1.00 48.74 MOLA

ATOM 1766 CA ALA 286 36.266 5.342 4.455 1.00 47.25 MOLA

ATOM 1767 CB ALA 286 36.211 6.151 5.743 1.00 46.14 MOLA

ATOM 1768 C ALA 286 37.720 5.068 4.072 1.00 47.28 MOLA

ATOM 1769 O ALA 286 38.300 5.776 3.247 1.00 46.55 MOLA

ATOM 1770 N LΞU 287 38.305 4.044 4.683 1.00 46.47 MOLA

ATOM 1771 CA LΞU 287 39.686 3.680 4.400 1.00 47.50 MOLA

ATOM 1772 CB LEU 287 40.151 2.574 5.357 1.00 44.34 MOLA

ATOM 1773 CG LEU 287 41.561 2.037 5.093 1.00 42.80 MOLA

ATOM 1774 CD1 LEU 287 42.573 3.179 5.138 1.00 40.30 MOLA

ATOM 1775 CD2 LΞU 287 41.889 0.964 6.114 1.00 42.07 MOLA

ATOM 1776 C LΞU 287 39.833 3.201 2.952 1.00 48.45 MOLA

ATOM 1777 O LΞU 287 40.684 3.687 2.211 1.00 46.53 MOLA

ATOM 1778 N THR 288 38.991 2.257 2.550 1.00 50.69 MOLA

ATOM 1779 CA THR 288 39.065 1.734 1.194 1.00 54.66 MOLA ATOM 1780 CB THR 288 38.125 0.536 1.018 1.00 56.11 MOLA

ATOM 1781 OG1 THR 288 36.798 0.917 1.386 1.00 58.97 MOLA

ATOM 1782 CG2 THR 288 38.571 -0.617 1.889 1.00 55.98 MOLA

ATOM 1783 C THR 288 38.754 2.775 0.113 1.00 55.17 MOLA

ATOM 1784 O THR 288 39.326 2.724 -0.972 1.00 55.11 MOLA

ATOM 1785 N ASP 289 37.873 3.726 0.417 1.00 55.90 MOLA

ATOM 1786 CA ASP 289 37.495 4.758 -0.544 1.00 55.88 MOLA

ATOM 1787 CB ASP 289 36.044 5.201 -0.316 1.00 56.15 MOLA

ATOM 1788 CG ASP 289 35.032 4.124 -0.672 1.00 56.59 MOLA

ATOM 1789 OD1 ASP 289 35.418 3.096 -1.271 1.00 57.25 MOLA

ATOM 1790 OD2 ASP 289 33.837 4.311 -0.355 1.00 56.78 MOLA

ATOM 1791 C ASP 289 38.366 6.012 -0.546 1.00 57.08 MOLA

ATOM 1792 O ASP 289 38.578 6.624 -1.598 1.00 57.90 MOLA

ATOM 1793 N SΞR 290 38.869 6.402 0.621 1.00 55.37 MOLA

ATOM 1794 CA SΞR 290 39.663 7.615 0.714 1.00 53.83 MOLA

ATOM 1795 CB SΞR 290 38.849 8.687 1.426 1.00 56.15 MOLA

ATOM 1796 OG SER 290 37.533 8.697 0.921 1.00 58.31 MOLA

ATOM 1797 C SΞR 290 40.995 7.460 1.425 1.00 52.22 MOLA

ATOM 1798 O SΞR 290 41.627 8.455 1.765 1.00 50.69 MOLA

ATOM 1799 N GLY 291 41.414 6.222 1.657 1.00 51.06 MOLA

ATOM 1800 CA GLY 291 42.683 5.998 2.328 1.00 50.23 MOLA

ATOM 1801 C GLY 291 42.733 6.446 3.780 1.00 49.41 MOLA

ATOM 1802 O GLY 291 41.705 6.745 4.386 1.00 46.24 MOLA

ATOM 1803 N GLU 292 43.940 6.491 4.337 1.00 48.97 MOLA

ATOM 1804 CA GLU 292 44.139 6.889 5.727 1.00 50.11 MOLA

ATOM 1805 CB GLU 292 45.628 6.818 6.088 1.00 49.29 MOLA

ATOM 1806 CG GLU 292 46.091 5.419 6.459 1.00 49.03 MOLA

ATOM 1807 CD GLU 292 47.606 5.274 6.489 1.00 47.39 MOLA

ATOM 1808 OΞ1 GLU 292 48.300 6.191 6.979 1.00 48.33 MOLA

ATOM 1809 OΞ2 GLU 292 48.096 4.229 6.036 1.00 44.79 MOLA

ATOM 1810 C GLU 292 43.616 8.277 6.032 1.00 50.93 MOLA

ATOM 1811 O GLU 292 42.998 8.510 7.074 1.00 49.17 MOLA

ATOM 1812 N GLU 293 43.879 9.205 5.119 1.00 51.63 MOLA

ATOM 1813 CA GLU 293 43.451 10.579 5.287 1.00 52.08 MOLA

ATOM 1814 CB GLU 293 43.975 11.418 4.123 1.00 56.46 MOLA

ATOM 1815 CG GLU 293 43.762 12.904 4.286 1.00 63.35 MOLA

ATOM 1816 CD GLU 293 44.491 13.718 3.228 1.00 66.99 MOLA

ATOM 1817 OΞ1 GLU 293 45.736 13.833 3.321 1.00 68.84 MOLA

ATOM 1818 OΞ2 GLU 293 43.819 14.233 2.300 1.00 69.05 MOLA

ATOM 1819 C GLU 293 41.929 10.640 5.371 1.00 50.86 MOLA

ATOM 1820 O GLU 293 41.376 11.400 6.169 1.00 50.27 MOLA

ATOM 1821 N GLY 294 41.255 9.824 4.567 1.00 48.22 MOLA

ATOM 1822 CA GLY 294 39.802 9.805 4.595 1.00 47.96 MOLA

ATOM 1823 C GLY 294 39.270 9.230 5.900 1.00 46.40 MOLA

ATOM 1824 0 GLY 294 38.311 9.750 6.477 1.00 44.77 MOLA

ATOM 1825 N LEU 295 39.893 8.148 6.364 1.00 45.00 MOLA

ATOM 1826 CA LΞU 295 39.497 7.501 7.621 1.00 43.43 MOLA

ATOM 1827 CB LΞU 295 40.342 6.241 7.867 1.00 41.97 MOLA

ATOM 1828 CG LΞU 295 40.207 5.514 9.211 1.00 39.72 MOLA

ATOM 1829 CD1 LΞU 295 38.768 5.059 9.434 1.00 38.56 MOLA

ATOM 1830 CD2 LΞU 295 41.174 4.320 9.233 1.00 39.36 MOLA

ATOM 1831 C LΞU 295 39.676 8.487 8.777 1.00 43.78 MOLA

ATOM 1832 O LΞU 295 38.777 8.643 9.600 1.00 44.63 MOLA

ATOM 1833 N LΞU 296 40.826 9.152 8.836 1.00 43.55 MOLA

ATOM 1834 CA LΞU 296 41.074 10.124 9.892 1.00 46.14 MOLA ATOM 1835 CB LΞU 296 42..450 10..769 9,.737 1.00 47..05 MOLA

ATOM 1836 CG LΞU 296 43, .597 10. .085 10, .481 1.00 49, .22 MOLA

ATOM 1837 CD1 LΞU 296 44, .920 10. .620 9, .970 1.00 51, .42 MOLA

ATOM 1838 CD2 LΞU 296 43, .464 10. .336 11, .999 1.00 49, .13 MOLA

ATOM 1839 C LΞU 296 40. .009 11. .206 9, .875 1.00 47, .97 MOLA

ATOM 1840 O LΞU 296 39, .534 11, .629 10, .927 1.00 45, .79 MOLA

ATOM 1841 N GLU 297 39, .631 11, .654 8, .679 1.00 49, .03 MOLA

ATOM 1842 CA GLU 297 38, .600 12, .682 8. .566 1.00 50, .29 MOLA

ATOM 1843 CB GLU 297 38. .429 13. .124 7, .107 1.00 53, ,32 MOLA

ATOM 1844 CG GLU 297 39, .539 14, .035 6, .608 1.00 59, .77 MOLA

ATOM 1845 CD GLU 297 39, .301 14. .537 5, .188 1.00 63, .63 MOLA

ATOM 1846 OΞ1 GLU 297 40, .164 15. .293 4. .683 1.00 65. .27 MOLA

ATOM 1847 OΞ2 GLU 297 38, .257 14. .177 4. .585 1.00 64, .46 MOLA

ATOM 1848 C GLU 297 37, .262 12, .178 9, .103 1.00 47, .28 MOLA

ATOM 1849 O GLU 297 36, .561 12. .898 9, .802 1.00 46, .20 MOLA

ATOM 1850 N GLU 298 36, .920 10. .940 8. .773 1.00 44. .42 MOLA

ATOM 1851 CA GLU 298 35, .674 10. .365 9, .223 1.00 44. .29 MOLA

ATOM 1852 CB GLU 298 35, .438 9, .022 8, .539 1.00 45, .71 MOLA

ATOM 1853 CG GLU 298 34, .105 8. .416 8, .871 1.00 50, .60 MOLA

ATOM 1854 CD GLU 298 32, .976 9. .434 8, .775 1.00 56, .84 MOLA

ATOM 1855 OΞ1 GLU 298 32, .807 10. .027 7, .682 1.00 57, .00 MOLA

ATOM 1856 OΞ2 GLU 298 32, .266 9. .644 9, .794 1.00 56, .60 MOLA

ATOM 1857 C GLU 298 35, .664 10. .205 10, .747 1.00 43, .53 MOLA

ATOM 1858 O GLU 298 34, .648 10. .431 11, .401 1.00 41, .44 MOLA

ATOM 1859 N ILΞ 299 36. .805 9. .823 11, .305 1.00 42, .73 MOLA

ATOM 1860 CA ILΞ 299 36, .924 9. .663 12, .745 1.00 43, .30 MOLA

ATOM 1861 CB ILΞ 299 38. .305 9. .097 13, .116 1.00 42, .19 MOLA

ATOM 1862 CG2 ILΞ 299 38. .516 9. .164 14, .616 1.00 42, .41 MOLA

ATOM 1863 CGI ILΞ 299 38. .425 7. .659 12, .595 1.00 40, .52 MOLA

ATOM 1864 CD1 ILΞ 299 39, .802 7, .060 12, .820 1.00 39, .93 MOLA

ATOM 1865 C ILΞ 299 36. .726 11, .013 13, .440 1.00 44, .87 MOLA

ATOM 1866 O ILΞ 299 35. .952 11. .127 14, .391 1.00 41, .79 MOLA

ATOM 1867 N GLN 300 37. .420 12. .039 12, .953 1.00 46, .03 MOLA

ATOM JLotjo CA GLN 300 37, .329 13. .369 13, .544 1.00 48, .85 MOLA

ATOM 1869 CB GLN 300 38, .338 14, .315 12, .873 1.00 51, .39 MOLA

ATOM 1870 CG GLN 300 39, .788 14, .077 13, .306 1.00 56, .25 MOLA

ATOM 1871 CD GLN 300 40, .816 14, .751 12, .397 1.00 59. .22 MOLA

ATOM 1872 OΞ1 GLN 300 42, .001 14, .826 12, .733 1.00 59, .83 MOLA

ATOM 1873 NΞ2 GLN 300 40, .368 15, .232 11, .237 1.00 60, .51 MOLA

ATOM 1874 C GLN 300 35, .920 13, .929 13, .416 1.00 48, .35 MOLA

ATOM 1875 O GLN 300 35, .427 14, .632 14, .299 1.00 48. .39 MOLA

ATOM 1876 N LΞU 301 35, .269 13. .591 12, .317 1.00 46, .59 MOLA

ATOM 1877 CA LΞU 301 33. .931 14. .063 12, .060 1.00 46, .66 MOLA

ATOM 1878 CB LΞU 301 33, .537 13. .669 10, .636 1.00 49, .17 MOLA

ATOM 1879 CG LΞU 301 32, .178 14. .055 10, .061 1.00 53, .09 MOLA

ATOM 1880 CD1 LΞU 301 31, .121 13, .040 10, .506 1.00 56, .30 MOLA

ATOM 1881 CD2 LΞU 301 31, .829 15. .480 10, .486 1.00 54, .67 MOLA

ATOM 1882 C LΞU 301 32, .915 13. .526 13, .068 1.00 45, .13 MOLA

ATOM 1883 O LΞU 301 32, .188 14. .294 13, .714 1.00 44. .56 MOLA

ATOM 1884 N ILΞ 302 32, .866 12, .210 13, .211 1.00 41, .76 MOLA

ATOM 1885 CA ILΞ 302 31, .908 11, .622 14, .122 1.00 40, .28 MOLA

ATOM 1886 CB ILΞ 302 31, .870 10, .068 13, .982 1.00 41, .13 MOLA

ATOM 1887 CG2 ILΞ 302 33, .230 9, .467 14, .330 1.00 40, .74 MOLA

ATOM 1888 CGI ILΞ 302 30, .741 9, .510 14, .857 1.00 40, .68 MOLA

ATOM 1889 CD1 ILΞ 302 30, .343 8, .093 14, .520 1.00 43, .50 MOLA ATOM 1890 C ILΞ 302 32,.170 12..070 15,.560 1.00 38..61 MOLA

ATOM 1891 O ILΞ 302 31, .232 12, .246 16, .321 1.00 38, .48 MOLA

ATOM 1892 N LΞU 303 33, .429 12, .285 15, .930 1.00 38, .64 MOLA

ATOM 1893 CA LΞU 303 33, .719 12, .767 17. .281 1.00 40, .10 MOLA

ATOM 1894 CB LΞU 303 35, .225 12, .753 17, .567 1.00 41, .72 MOLA

ATOM 1895 CG LΞU 303 35, .897 11, .370 17, .622 1.00 42, .48 MOLA

ATOM 1896 CD1 LΞU 303 37, .393 11, .542 17, .809 1.00 43, .89 MOLA

ATOM 1897 CD2 LΞU 303 35. .293 10. .545 18, .761 1.00 43, .55 MOLA

ATOM 1898 C LΞU 303 33. .182 14, .191 17, .456 1.00 41, .03 MOLA

ATOM 1899 O LΞU 303 32, .637 14. .532 18, .507 1.00 39, .84 MOLA

ATOM 1900 N GLU 304 33. .326 15, .031 16, .434 1.00 41, .77 MOLA

ATOM 1901 CA GLU 304 32, .823 16, .403 16, .555 1.00 44, .72 MOLA

ATOM 1902 CB GLU 304 33, .326 17, .275 15, .389 1.00 47, .10 MOLA

ATOM 1903 CG GLU 304 34, .840 17, .548 15, .429 1.00 50, .79 MOLA

ATOM 1904 CD GLU 304 35, .294 18. .202 16, .732 1.00 54, .86 MOLA

ATOM 1905 OΞ1 GLU 304 34, .757 19, .285 17, .078 1.00 57, .59 MOLA

ATOM 1906 OΞ2 GLU 304 36, .188 17, .635 17, .409 1.00 55, .24 MOLA

ATOM 1907 C GLU 304 31, .293 16, .413 16, .615 1.00 42. .82 MOLA

ATOM 1908 O GLU 304 30, .702 17, .210 17, .344 1.00 42. .44 MOLA

ATOM 1909 N GLU 305 30, .659 15, .525 15, .851 1.00 40, .42 MOLA

ATOM 1910 CA GLU 305 29, .206 15, .416 15, .859 1.00 41, .04 MOLA

ATOM 1911 CB GLU 305 28. .737 14, .471 14, .744 1.00 44, .21 MOLA

ATOM 1912 CG GLU 305 28. .745 15, .120 13, .363 1.00 47, .45 MOLA

ATOM 1913 CD GLU 305 28. .713 14, .119 12, .216 1.00 50, .11 MOLA

ATOM 1914 OΞ1 GLU 305 28. .442 14, .533 11, .071 1.00 52, .08 MOLA

ATOM 1915 OΞ2 GLU 305 28. .976 12, .919 12, .447 1.00 53, .29 MOLA

ATOM 1916 C GLU 305 28. .712 14, .933 17, .226 1.00 40, .04 MOLA

ATOM 1917 O GLU 305 27, .664 15. .371 17, .695 1.00 39, .99 MOLA

ATOM 1918 N LΞU 306 29. .464 14, .048 17, .882 1.00 37, .72 MOLA

ATOM 1919 CA LΞU 306 29, .053 13, .590 19, .205 1.00 36, .32 MOLA

ATOM 1920 CB LΞU 306 29, .936 12, .427 19, .710 1.00 34, .60 MOLA

ATOM 1921 CG LΞU 306 29, .758 12, .001 21, .176 1.00 36, .16 MOLA

ATOM 1922 GDI LΞU 306 28. .323 11, .509 21, .441 1.00 31, .57 MOLA

ATOM 1923 CD2 LEU 306 30, • 58 10, .897 21, .514 1.00 35, .88 MOLA

ATOM 1924 C LΞU 306 29, .137 14, .772 20. .171 1.00 35, .92 MOLA

ATOM 1925 O LΞU 306 28. .248 14, .967 20, .997 1.00 34. .93 MOLA

ATOM 1926 N LYS 307 30, .204 15, .562 20. .079 1.00 36. .98 MOLA

ATOM 1927 CA LYS 307 30, .349 16, .733 20, .967 1.00 38. .38 MOLA

ATOM 1928 CB LYS 307 31, .696 17, .441 20, .740 1.00 38. .32 MOLA

ATOM 1929 CG LYS 307 32, .922 16, .642 21, .160 1.00 40. ,2,3 MOLA

ATOM 1930 CD LYS 307 34, .193 17, .389 20, .735 1.00 44, .01 MOLA

ATOM 1931 CΞ LYS 307 35. .433 16, .512 20. .822 1.00 48. .45 MOLA

ATOM 1932 NZ LYS 307 36. .660 17, .267 20, .381 1.00 50, .51 MOLA

ATOM 1933 C LYS 307 29. .213 17, .739 20. .732 1.00 36, .33 MOLA

ATOM 1934 O LYS 307 28, .761 18, .400 21, .662 1.00 38, ,33 MOLA

ATOM 1935 N LΞU 308 28, .773 17, .855 19, .488 1.00 36, .02 MOLA

ATOM 1936 CA LΞU 308 27, .691 18, .759 19, .142 1.00 37, .43 MOLA

ATOM 1937 CB LΞU 308 27. .493 18, .778 17, .629 1.00 40, .61 MOLA

ATOM 1938 CG LΞU 308 26, .327 19, .586 17, .058 1.00 44. .15 MOLA

ATOM 1939 CD1 LΞU 308 26, .763 20, .242 15, .742 1.00 48. .92 MOLA

ATOM 1940 CD2 LΞU 308 25, .117 18, .666 16, .824 1.00 48. .72 MOLA

ATOM 1941 C LΞU 308 26, .406 18, .319 19, .844 1.00 36. .91 MOLA

ATOM 1942 O LΞU 308 25, .696 19, .127 20, .437 1.00 36, .10 MOLA

ATOM 1943 N ILΞ 309 26, .128 17, .022 19, .796 1.00 35, .66 MOLA

ATOM 1944 CA ILΞ 309 24, .941 16, .479 20, .433 1.00 34. .02 MOLA ATOM 1945 CB ILE 309 24.787 14.986 20.082 1.00 31.90 MOLA

ATOM 1946 CG2 ILΞ 309 23.662 14.348 20.932 1.00 30.67 MOLA

ATOM 1947 CGI ILΞ 309 24.506 14.877 18.578 1.00 31.33 MOLA

ATOM 1948 CD1 ILΞ 309 24.517 13.441 18.014 1.00 35.46 MOLA

ATOM 1949 C ILΞ 309 25.042 16.687 21.936 1.00 34.07 MOLA

ATOM 1950 O ILΞ 309 24.068 17.098 22.590 1.00 33.08 MOLA

ATOM 1951 N MΞT 310 26.222 16.425 22.492 1.00 33.29 MOLA

ATOM 1952 CA MΞT 310 26.422 16.631 23.922 1.00 33.69 MOLA

ATOM 1953 CB MΞT 310 27.813 16.164 24.326 1.00 32.70 MOLA

ATOM 1954 CG MΞT 310 27.939 14.641 24.283 1.00 31.99 MOLA

ATOM 1955 SD MΞT 310 29.607 14.063 24.609 1.00 33.53 MOLA

ATOM 1956 CΞ MΞT 310 29.780 14.451 26.329 1.00 32.44 MOLA

ATOM 1957 C MΞT 310 26.225 18.106 24.295 1.00 35.41 MOLA

ATOM 1958 O MΞT 310 25.650 18.430 25.345 1.00 35.30 MOLA

ATOM 1959 N THR 311 26.696 18.998 23.431 1.00 35.48 MOLA

ATOM 1960 CA THR 311 26.552 20.421 23.693 1.00 37.03 MOLA

ATOM 1961 CB THR 311 27.216 21.246 22.570 1.00 36.03 MOLA

ATOM 1962 OG1 THR 311 28.621 20.978 22.565 1.00 37.16 MOLA

ATOM 1963 CG2 THR 311 27.005 22.736 22.802 1.00 35.93 MOLA

ATOM 1964 C THR 311 25.065 20.809 23.815 1.00 37.51 MOLA

ATOM 1965 O THR 311 24.659 21.481 24.767 1.00 38.58 MOLA

ATOM 1966 N VAL 312 24.267 20.366 22.850 1.00 36.34 MOLA

ATOM 1967 CA VAL 312 22.841 20.636 22.818 1.00 35.82 MOLA

ATOM 1968 CB VAL 312 22.248 20.075 21.532 00 37.86 MOLA

ATOM 1969 CGI VAL 312 20.750 20.010 21.624 00 42.16 MOLA

ATOM 1970 CG2 VAL 312 22.685 20.957 20.355 00 39.63 MOLA

ATOM 1971 C VAL 312 22.092 20.059 24.023 00 34.93 MOLA

ATOM 1972 O VAL 312 21.084 20.615 24.458 00 34.58 MOLA

ATOM 1973 N LΞU 313 22.586 18.944 24.549 00 32.78 MOLA

ATOM 1974 CA LΞU 313 21.987 18.270 25.700 00 32.53 MOLA

ATOM 1975 CB LΞU 313 22.317 16.763 25.673 00 32.46 MOLA

ATOM 1976 CG LΞU 313 21.571 15.909 24.634 1.00 32.68 MOLA

ATOM 1977 CD1 LΞU 313 22.155 14.491 24.554 00 33.86 MOLA

ATOM 1978 CD2 LEU 313 20.097 15.860 25.027 00 31.81 MOLA

ATOM 1979 C LΞU 313 22.495 18.843 27.013 00 31.66 MOLA

ATOM 1980 O LΞU 313 22.011 18.471 28.089 00 30.77 MOLA

ATOM 1981 N GLY 314 23.468 19.748 26.923 00 31.84 MOLA

ATOM 1982 CA GLY 314 24.060 20.318 28.128 00 32.91 MOLA

ATOM 1983 C GLY 314 24.887 19.280 28.884 00 34.59 MOLA

ATOM 1984 O GLY 314 25.021 19.348 30.109 00 35.81 MOLA

ATOM 1985 N ALA 315 25.430 18.295 28.165 00 34.09 MOLA

ATOM 1986 CA ALA 315 26.245 17.245 28.787 1.00 35.21 MOLA

ATOM 1987 CB ALA 315 25.917 15.883 28.171 1.00 34.46 MOLA

ATOM 1988 C ALA 315 27.717 17.579 28.555 1.00 35.85 MOLA

ATOM 1989 O ALA 315 28.223 17.479 27.440 1.00 35.33 MOLA

ATOM 1990 N ARG 316 28.396 17.977 29.616 1.00 38.26 MOLA

ATOM 1991 CA ARG 316 29.792 18.363 29.514 1.00 41.22 MOLA

ATOM 1992 CB ARG 316 30.197 19.241 30.707 ,00 43.42 MOLA

ATOM 1993 CG ARG 316 31.520 19.985 30.467 ,00 49.35 MOLA

ATOM 1994 CD ARG 316 31.965 20.830 31.664 ,00 54.53 MOLA

ATOM 1995 NΞ ARG 316 32.615 20.038 32.707 ,00 58.48 MOLA

ATOM 1996 CZ ARG 316 31.981 19.389 33.679 ,00 60.60 MOLA

ATOM 1997 NH1 ARG 316 30.654 19.429 33.763 ,00 64.03 MOLA

ATOM 1998 NH2 ARG 316 32.680 18.691 34.570 ,00 62.00 MOLA

ATOM 1999 C ARG 316 30.758 17.191 29.422 ,00 39.95 MOLA ATOM 2000 O ARG 316 31.792 17.301 28.768 1.00 42.38 MOLA

ATOM 2001 N THR 317 30.422 16.085 30.076 1.00 35.84 MOLA

ATOM 2002 CA THR 317 31.276 14.909 30.095 1.00 36.14 MOLA

ATOM 2003 CB THR 317 31.849 14.682 31.492 1.00 36.64 MOLA

ATOM 2004 OG1 THR 317 30.775 14.330 32.381 1.00 35.87 MOLA

ATOM 2005 CG2 THR 317 32.516 15.942 32.008 1.00 38.00 .MOLA

ATOM 2006 C THR 317 30.499 13.642 29.765 1.00 36.86 MOLA

ATOM 2007 O THR 317 29.262 13.659 29.707 1.00 35.12 MOLA

ATOM 2008 N ILΞ 318 31.232 12.539 29.580 1.00 35.60 MOLA

ATOM 2009 CA ILΞ 318 30.595 11.250 29.290 1.00 35.98 MOLA

ATOM 2010 CB ILΞ 318 31.647 10.146 29.038 1.00 35.82 MOLA

ATOM 2011 CG2 ILE 318 30.982 8.763 28.995 1.00 32.18 MOLA

ATOM 2012 CGI ILΞ 318 32.417 10.460 27.750 1.00 33.99 MOLA

ATOM 2013 CD1 ILΞ 318 31.561 10.576 26.511 1.00 38.01 MOLA

ATOM 2014 C ILΞ 318 29.711 10.871 30.481 1.00 37.42 MOLA

ATOM 2015 O ILΞ 318 28.614 10.349 30.302 1.00 36.92 MOLA

ATOM 2016 N ALA 319 30.183 11.141 31.694 1.00 34.90 MOLA

ATOM 2017 CA ALA 319 29.401 10.832 32.885 1.00 36.12 MOLA

ATOM 2018 CB ALA 319 30.168 11.259 34.142 1.00 38.11 MOLA

ATOM 2019 C ALA 319 28.043 11.550 32.835 1.00 35.42 MOLA

ATOM 2020 O ALA 319 27.026 10.976 33.218 1.00 35.27 MOLA

ATOM 2021 N ASP 320 28.048 12.806 32.385 1.00 35.03 MOLA

ATOM 2022 CA ASP 320 26.821 13.609 32.263 1.00 36.21 MOLA

ATOM 2023 CB ASP 320 27.143 15.058 31.870 1.00 37.18 MOLA

ATOM 2024 CG ASP 320 27.761 15.869 33.010 1.00 41.02 MOLA

ATOM 2025 OD1 ASP 320 28.465 16.849 32.713 1.00 44.62 MOLA

ATOM 2026 OD2 ASP 320 27.532 15.544 34.185 1.00 37.68 MOLA

ATOM 2027 C ASP 320 25.920 13.012 31.180 1.00 34.10 MOLA

ATOM 2028 O ASP 320 24.699 12.962 31.336 1.00 33.59 MOLA

ATOM 2029 N LΞU 321 26.511 12.572 30.073 1.00 31.78 MOLA

ATOM 2030 CA LΞU 321 25.692 11.989 29.004 1.00 31.15 MOLA

ATOM 2031 CB LΞU 321 26.541 11.730 27.745 1.00 29.75 MOLA

ATOM 2032 CG LΞU 321 25.856 11.141 26.493 1.00 32.69 MOLA

ATOM 2033 GDI LEU 321 24.689 12.043 1.00 29.73 MOLA

ATOM 2034 CD2 LΞU 321 26.891 11.007 25.359 1.00 32.09 MOLA

ATOM 2035 C LΞU 321 25.024 10.696 29.492 1.00 30.39 MOLA

ATOM 2036 O LΞU 321 23.873 10.425 29.144 1.00 29.09 MOLA

ATOM 2037 N GLN 322 25.734 9.913 30.309 1.00 28.73 MOLA

ATOM 2038 CA GLN 322 25.185 8.674 30.841 1.00 31.17 MOLA

ATOM 2039 CB GLN 322 26.267 7.879 31.580 1.00 31.46 MOLA

ATOM 2040 CG GLN 322 27.397 7.429 30.666 1.00 33.69 MOLA

ATOM 2041 CD GLN 322 28.416 6.588 31.393 1.00 38.09 MOLA

ATOM 2042 OΞ1 GLN 322 28.811 6.917 32.513 1.00 38.64 MOLA

ATOM 2043 NΞ2 GLN 322 28.859 5.505 30.764 1.00 35.71 MOLA

ATOM 2044 C GLN 322 24.006 8.928 31.783 1.00 32.45 MOLA

ATOM 2045 O GLN 322 23.333 7.997 32.202 1.00 32.19 MOLA

ATOM 2046 N LYS 323 23.762 10.189 32.115 1.00 33.33 MOLA

ATOM 2047 CA LYS 323 22.645 10.541 32.990 1.00 36.16 MOLA

ATOM 2048 CB LYS 323 23.152 11.233 34.263 1.00 39.43 MOLA

ATOM 2049 CG LYS 323 24.075 10.389 35.114 1.00 47.92 MOLA

ATOM 2050 CD LYS 323 24.739 11.241 36.207 1.00 53.18 MOLA

ATOM 2051 CΞ LYS 323 25.694 10.403 37.064 1.00 58.74 MOLA

ATOM 2052 NZ LYS 323 26.301 11.180 38.197 1.00 59.81 MOLA

ATOM 2053 C LYS 323 21.671 11.487 32.287 1.00 34.23 MOLA

ATOM 2054 O LYS 323 20.812 12.092 32.937 1.00 34.85 MOLA ATOM 2055 N ALA 324 21.810 11.635 30.974 1.00 31.60 MOLA

ATOM 2056 CA ALA 324 20.930 12.545 30.228 1.00 31.99 MOLA

ATOM 2057 CB ALA 324 21.438 12.690 28.783 1.00 28.72 MOLA

ATOM 2058 C ALA 324 19.484 12.026 30.223 1.00 31.88 MOLA

ATOM 2059 O ALA 324 19.241 10.866 29.863 1.00 31.84 MOLA

ATOM 2060 N PRO 325 18.512 12.873 30.614 1.00 30.97 MOLA

ATOM 2061 CD PRO 325 18.631 14.243 31.164 1.00 30.54 MOLA

ATOM 2062 CA PRO 325 17.115 12.416 30.620 1.00 29.82 MOLA

ATOM 2063 CB PRO 325 16.347 13.639 31.121 1.00 31.55 MOLA

ATOM 2064 CG PRO 325 17.363 14.353 32.001 1.00 31.55 MOLA

ATOM 2065 C PRO 325 16.647 11.974 29.231 1.00 28.99 MOLA

ATOM 2066 O PRO 325 16.945 12.622 28.235 1.00 28.80 MOLA

ATOM 2067 N LΞU 326 15.907 10.874 29.172 1.00 29.30 MOLA

ATOM 2068 CA LΞU 326 15.406 10.367 27.898 1.00 30.17 MOLA

ATOM 2069 CB LΞU 326 16.496 9.507 27.214 1.00 28.49 MOLA

ATOM 2070 CG LΞU 326 17.050 8.296 28.013 1.00 28.69 MOLA

ATOM 2071 CD1 LΞU 326 16.191 7.039 27.739 1.00 28.19 MOLA

ATOM 2072 CD2 LΞU 326 18.494 7.994 27.589 1.00 30.28 MOLA

ATOM 2073 C LΞU 326 14.153 9.536 28.170 1.00 29.95 MOLA

ATOM 2074 O LΞU 326 13.909 9.136 29.309 1.00 31.67 MOLA

ATOM 2075 N VAL 327 13.375 9.277 27.120 1.00 27.93 MOLA

ATOM 2076 CA VAL 327 12.140 8.501 27.222 1.00 28.91 MOLA

ATOM 2077 CB VAL 327 10.898 9.325 26.723 1.00 29.52 MOLA

ATOM 2078 CGI VAL 327 9.655 8.448 26.697 1.00 28.17 MOLA

ATOM 2079 CG2 VAL 327 10.686 10.548 27.620 1.00 28.48 MOLA

ATOM 2080 C VAL 327 12.270 7.269 26.330 1.00 29.78 MOLA

ATOM 2081 O VAL 327 12.674 7.373 25.166 1.00 29.67 MOLA

ATOM 2082 N ILΞ 328 11.947 6.108 26.886 1.00 28.29 MOLA

ATOM 2083 CA ILΞ 328 12.004 4.864 26.147 1.00 29.87 MOLA

ATOM 2084 CB ILΞ 328 12.576 3.738 27.019 1.00 30.06 MOLA

ATOM 2085 CG2 ILΞ 328 12.605 2.404 26.234 1.00 29.15 MOLA

ATOM 2086 CGI ILΞ 328 13.990 4.128 27.482 1.00 31.61 MOLA

ATOM 2087 CD1 ILΞ 328 14.549 3.244 28.564 1.00 34.45 MOLA

ATOM 2088 C ILΞ 328 10.587 4.503 5 • 726 1.00 30.23 MOLA

ATOM 2089 O ILΞ 328 9.655 4.582 26.526 1.00 30.90 MOLA

ATOM 2090 N LYS 329 10.409 4.119 24.471 1.00 31.48 MOLA

ATOM 2091 CA LYS 329 9.076 3.743 24.012 1.00 32.74 MOLA

ATOM 2092 CB LYS 329 8.489 4.864 23.152 1.00 34.65 MOLA

ATOM 2093 CG LYS 329 9.231 5.052 21.838 1.00 40.88 MOLA

ATOM 2094 CD LYS 329 8.571 6.122 20.987 1.00 47.58 MOLA

ATOM 2095 CΞ LYS 329 9.237 6.232 19.626 1.00 50.69 MOLA

ATOM 2096 NZ LYS 329 8.794 7.470 18.897 1.00 55.86 MOLA

ATOM 2097 C LYS 329 9.105 2.454 23.196 1.00 32.03 MOLA

ATOM 2098 O LYS 329 10.119 1.763 23.129 1.00 31.06 MOLA

ATOM 2099 N GLY 330 7.963 2.133 22.596 1.00 31.77 MOLA

ATOM 2100 CA GLY 330 7.847 0.969 21.741 1.00 32.25 MOLA

ATOM 2101 C GLY 330 8.230 -0.391 22.289 1.00 31.05 MOLA

ATOM 2102 O GLY 330 8.034 -0.689 23.469 1.00 30.91 MOLA

ATOM 2103 N GLU 331 8.783 -1.221 21.415 1.00 33.10 MOLA

ATOM 2104 CA GLU 331 9.160 -2.582 21.795 1.00 33.69 MOLA

ATOM 2105 CB GLU 331 9.689 -3.343 20.580 1.00 38.49 MOLA

ATOM 2106 CG GLU 331 8.590 -3.686 19.590 1.00 49.84 MOLA

ATOM 2107 CD GLU 331 8.988 -4.795 18.631 1.00 56.38 MOLA

ATOM 2108 OE1 GLU 331 8.087 -5.323 17.940 1.00 62.33 MOLA

ATOM 2109 OE2 GLU 331 10.196 -5.132 18.565 1.00 60.75 MOLA ATOM 2110 C GLU 331 10.169 -2.622 22.914 1.00 32.23 MOLA

ATOM 2111 O GLU 331 10.092 -3.491 23.786 1.00 31.75 MOLA

ATOM 2112 N THR 332 11.105 -1.675 22.912 1.00 31.62 MOLA

ATOM 2113 CA THR 332 12.121 -1.628 23.962 1.00 30.25 MOLA

ATOM 2114 CB THR 332 13.173 -0.525 23.677 1.00 30.13 MOLA

ATOM 2115 OGl THR 332 13.791 -0.777 22.409 1.00 30.07 MOLA

ATOM 2116 CG2 THR 332 14.263 -0.526 24.758 1.00 28.27 MOLA

ATOM 2117 C THR 332 11.451 -1.352 25.293 1.00 30.53 MOLA

ATOM 2118 O THR 332 11.773 -1.980 26.316 1.00 30.69 MOLA

ATOM 2119 N HIS 333 10.503 -0.414 25.291 1.00 29.18 MOLA

ATOM 2120 CA HIS 333 9.797 -0.098 26.521 1.00 28.69 MOLA

ATOM 2121 CB HIS 333 8.822 1.076 26.309 1.00 29.36 MOLA

ATOM 2122 CG HIS 333 8.007 1.407 27.525 1.00 31.45 MOLA

ATOM 2123 CD2 HIS 333 8.231 2.282 28.534 1.00 30.76 MOLA

ATOM 2124 NDl HIS 333 6.841 0.743 27.842 1.00 29.62 MOLA

ATOM 2125 CΞl HIS 333 6.382 1.196 28.997 1.00 33.82 MOLA

ATOM 2126 NΞ2 HIS 333 7.208 2.130 29.438 1.00 32.06 MOLA

ATOM 2127 C HIS 333 9.038 -1.322 27.026 1.00 28.15 MOLA

ATOM 2128 O HIS 333 9.113 -1.672 28.207 1.00 28.48 MOLA

ATOM 2129 N HIS 334 8.302 -1.977 26.137 1.00 27.16 MOLA

ATOM 2130 CA HIS 334 7.535 -3.141 26.560 1.00 28.73 MOLA

ATOM 2131 CB HIS 334 6.699 -3.694 25.396 1.00 30.99 MOLA

ATOM 2132 CG HIS 334 5.787 -4.804 25.808 1.00 33.22 MOLA

ATOM 2133 CD2 HIS 334 4.568 -4.781 26.397 1.00 34.57 MOLA

ATOM 2134 NDl HIS 334 6.160 -6.130 25.753 1.00 34.49 MOLA

ATOM 2135 CΞl HIS 334 5.216 -6.874 26.299 1.00 34.12 MOLA

ATOM 2136 NΞ2 HIS 334 4.239 -6.079 26.699 1.00 39.45 MOLA

ATOM 2137 C HIS 334 8.446 -4.250 27.120 1.00 28.53 MOLA

ATOM 2138 O HIS 334 8.176 -4.822 28.184 1.00 28.06 MOLA

ATOM 2139 N TRP 335 9.524 -4.548 26.405 1.00 28.84 MOLA

ATOM 2140 CA TRP 335 10.452 -5.579 26.849 1.00 31.78 MOLA

ATOM 2141 CB TRP 335 11.612 -5.697 25.846 1.00 32.15 MOLA

ATOM 2142 CG TRP 335 12.711 -6.640 26.292 1.00 32.92 MOLA

ATOM 2143 CD2 TRP 335 12 • 865 "^■' © • U Uo 25.901 1.00 34.02 MOLA

ATOM 2144 CΞ2 TRP 335 13.965 -8.528 26.620 1.00 35.41 MOLA

ATOM 2145 CΞ3 TRP 335 12.174 -8.843 25.018 1.00 34.48 MOLA

ATOM 2146 CD1 TRP 335 13.697 -6.384 27.196 1.00 32.72 MOLA

ATOM 2147 NΞ1 TRP 335 14.457 -7.515 27.405 1.00 33.25 MOLA

ATOM 2148 CZ2 TRP 335 14.399 -9.844 26.479 1.00 33.58 MOLA

ATOM 2149 CZ3 TRP 335 12.604 -10.163 24.876 1.00 36.65 MOLA

ATOM 2150 CH2 TRP 335 13.709 -10.646 25.612 1.00 37.99 MOLA

ATOM 2151 C TRP 335 10.989 -5.292 28.238 1.00 30.22 MOLA

ATOM 2152 O TRP 335 10.960 -6.147 29.137 1.00 32.17 MOLA

ATOM 2153 N LΞU 336 11.489 -4.078 28.427 1.00 32.04 MOLA

ATOM 2154 CA LΞU 336 12.054 -3.704 29.715 1.00 31.27 MOLA

ATOM 2155 CB LΞU 336 12.686 -2.294 29.618 1.00 28.64 MOLA

ATOM 2156 CG LΞU 336 13.938 -2.213 28.730 1.00 29.05 MOLA

ATOM 2157 CD1 LΞU 336 14.408 -0.760 28.643 1.00 30.73 MOLA

ATOM 2158 CD2 LΞU 336 15.059 -3.122 29.293 1.00 29.71 MOLA

ATOM 2159 C LΞU 336 11.013 -3.774 30.830 1.00 30.55 MOLA

ATOM 2160 O LΞU 336 11.309 -4.268 31.925 1.00 29.37 MOLA

ATOM 2161 N THR 337 9.789 -3.319 30.551 1.00 30.36 MOLA

ATOM 2162 CA THR 337 8.740 -3.342 31.574 1.00 30.86 MOLA

ATOM 2163 CB THR 337 7.452 -2.645 31.055 1.00 33.39 MOLA

ATOM 2164 OGl THR 337 7.773 -1.301 30.661 1.00 33.47 MOLA ATOM 2165 CG2 THR 337 6.371 -2.602 32.146 1.00 33.62 MOLA

ATOM 2166 C THR 337 8.433 -4.778 32.018 1.00 32.20 MOLA

ATOM 2167 O THR 337 8.344 -5.059 33.221 1.00 31.12 MOLA

ATOM 2168 N GLU 338 8.291 -5.688 31.055 1.00 31.36 MOLA

ATOM 2169 CA GLU 338 8.020 -7.091 31.379 1.00 32.99 MOLA

ATOM 2170 CB GLU 338 7.759 -7.880 30.086 1.00 34.06 MOLA

ATOM 2171 CG GLU 338 6.414 -7.605 29.464 1.00 32.12 MOLA

ATOM 2172 CD GLU 338 5.301 -7.866 30.445 1.00 35.24 MOLA

ATOM 2173 OΞ1 GLU 338 4.654 -6.892 30.898 1.00 35.55 MOLA

ATOM 2174 OΞ2 GLU 338 5.066 -9.051 30.778 1.00 32.51 MOLA

ATOM 2175 C GLU 338 9.188 -7.726 32.153 1.00 32.45 MOLA

ATOM 2176 O GLU 338 8.987 -8.576 33.021 1.00 33.09 MOLA

ATOM 2177 N ARG 339 10.404 -7.290 31.834 1.00 33.01 MOLA

ATOM 2178 CA ARG 339 11.617 -7.797 32.479 1.00 33.06 MOLA

ATOM 2179 CB ARG 339 12.818 -7.574 31.555 1.00 32.78 MOLA

ATOM 2180 CG ARG 339 12.782 -8.463 30.317 1.00 33.07 MOLA

ATOM 2181 CD ARG 339 13.235 -9.886 30.666 1.00 35.40 MOLA

ATOM 2182 NΞ ARG 339 14.696 -9.952 30.727 1.00 35.37 MOLA

ATOM 2183 CZ ARG 339 15.382 -10.921 31.331 1.00 36.73 MOLA

ATOM 2184 NH1 ARG 339 16.706 -10.887 31.323 1.00 32.47 MOLA

ATOM 2185 NH2 ARG 339 14.745 -11.915 31.952 1.00 31.92 MOLA

ATOM 2186 C ARG 339 11.871 -7.167 33.846 1.00 34.01 MOLA

ATOM 2187 O ARG 339 12.854 -7.504 34.512 1.00 35.45 MOLA

ATOM 2188 N GLY 340 10.978 -6.267 34.263 1.00 34.67 MOLA

ATOM 2189 CA GLY 340 11.101 -5.616 35.565 1.00 35.08 MOLA

ATOM 2190 C GLY 340 12.109 -4.476 35.649 1.00 36.45 MOLA

ATOM 2191 O GLY 340 12.542 -4.103 36.741 1.00 36.94 MOLA

ATOM 2192 N VAL 341 12.507 -3.929 34.506 1.00 33.83 MOLA

ATOM 2193 CA VAL 341 13.462 -2.825 34.499 1.00 34.34 MOLA

ATOM 2194 CB VAL 341 14.379 -2.910 33.256 1.00 33.78 MOLA

ATOM 2195 CGI VAL 341 15.295 -1.679 33.178 1.00 35.84 MOLA

ATOM 2196 CG2 VAL 341 15.213 -4.189 33.337 1.00 34.39 MOLA

ATOM 2197 C VAL 341 12.686 -1.513 34.496 1.00 33.17 MOLA

ATOM 2198 O VAL 341 11.793 -1.320 33.679 1.00 33.20 MOLA

ATOM 2199 N ASN 342 13.020 -0.623 35.423 1.00 34.71 MOLA

ATOM 2200 CA ASN 342 12.339 0.666 35.551 1.00 35.98 MOLA

ATOM 2201 CB ASN 342 12.753 1.339 36.876 1.00 38.16 MOLA

ATOM 2202 CG ASN 342 11.960 2.606 37.175 1.00 43.96 MOLA

ATOM 2203 OD1 ASN 342 11.679 2.910 38.333 1.00 48.75 MOLA

ATOM 2204 ND2 ASN 342 11.607 3.352 36.142 1.00 47.45 MOLA

ATOM 2205 C ASN 342 12.711 1.550 34.361 1.00 36.31 MOLA

ATOM 2206 O ASN 342 13.891 1.813 34.131 1.00 37.81 MOLA

ATOM 2207 N THR 343 11.716 2.003 33.603 1.00 33.89 MOLA

ATOM 2208 CA THR 343 12.001 2.842 32.447 1.00 35.00 MOLA

ATOM 2209 CB THR 343 11.083 2.504 31.241 1.00 33.38 MOLA

ATOM 2210 OGl THR 343 9.713 2.618 31.625 1.00 32.87 MOLA

ATOM 2211 CG2 THR 343 11.334 1.076 30.739 1.00 33.18 MOLA

ATOM 2212 C THR 343 11.850 4.329 32.772 1.00 35.90 MOLA

ATOM 2213 O THR 343 12.569 5.159 32.233 1.00 34.30 MOLA

ATOM 2214 N SΞR 344 10.921 4.658 33.662 1.00 37.16 MOLA

ATOM 2215 CA SΞR 344 10.681 6.049 34.012 1.00 39.97 MOLA

ATOM 2216 CB SΞR 344 9.442 6.157 34.914 1.00 39.29 MOLA

ATOM 2217 OG SΞR 344 9.697 5.570 36.180 1.00 46.63 MOLA

ATOM 2218 C SΞR 344 11.884 6.735 34.675 1.00 39.16 MOLA

ATOM 2219 O SΞR 344 12.042 7.950 34.585 1.00 39.62 MOLA ATOM 2220 N SΞR 345 12..744 5.969 35.,327 1.00 39.,54 MOLA

ATOM 2221 CA SΞR 345 13. .902 6.574 35. .974 1.00 41. ,66 MOLA

ATOM 2222 CB SΞR 345 14. ,705 5.509 36. .730 1.00 42. ,17 MOLA

ATOM 2223 OG SΞR 345 15. ,145 4.493 35. .850 1.00 47. ,04 MOLA

ATOM 2224 C SΞR 345 14. ,795 7.278 34. .940 1.00 39. .61 MOLA

ATOM 2225 O SΞR 345 15. .512 8.223 35. .270 1.00 40. .25 MOLA

ATOM 2226 N TYR 346 14. .739 6.830 33. .691 1.00 36. .62 MOLA

ATOM 2227 CA TYR 346 15. .538 7.443 32. .621 1.00 36. .15 MOLA

ATOM 2228 CB TYR 346 15. .490 6.580 31. .352 1.00 36. .59 MOLA

ATOM 2229 CG TYR 346 16. .525 5.474 31. .314 1.00 37. .90 MOLA

ATOM 2230 CD1 TYR 346 17. ,840 5.741 30. .920 1.00 37. ,15 MOLA

ATOM 2231 CΞl TYR 346 18. ,810 4.750 30. .932 1.00 37. ,73 MOLA

ATOM 2232 CD2 TYR 346 16. ,203 4.178 31. .715 1.00 37. .56 MOLA

ATOM 2233 CΞ2 TYR 346 17. .166 3.173 31. .728 1.00 36. .95 MOLA

ATOM 2234 CZ TYR 346 18. .470 3.470 31, .337 1.00 37. .70 MOLA

ATOM 2235 OH TYR 346 19. .450 2.501 31, .365 1.00 40. .36 MOLA

ATOM 2236 C TYR 346 15. .004 8.828 32, .270 i.oo 37. .21 MOLA

ATOM 2237 O TYR 346 15. .761 9.709 31. .830 1.00 35. .08 MOLA

ATOM 2238 N SΞR 347 13. .696 9.004 32. .464 1.00 37. .07 MOLA

ATOM 2239 CA SΞR 347 13, .004 10.244 32. .124 1.00 42, .37 MOLA

ATOM 2240 CB SΞR 347 11, .567 9.944 31. .688 1.00 41, .83 MOLA

ATOM 2241 OG SΞR 347 11, .483 8.728 30. .964 1.00 40, .27 MOLA

ATOM 2242 C SΞR 347 12. .927 11.269 33. .235 1.00 46. .06 MOLA

ATOM 2243 O SΞR 347 12, .832 12.460 32. .959 1.00 48. .71 MOLA

ATOM 2244 N VAL 348 12, .937 10.803 34, .482 1.00 48. .91 MOLA

ATOM 2245 CA VAL 348 12, .835 11.687 35, .641 1.00 51. .61 MOLA

ATOM 2246 CB VAL 348 11, .943 11.055 36, .734 1.00 52. ,78 MOLA

ATOM 2247 CGI VAL 348 11, .638 12.071 37, .826 1.00 56. .34 MOLA

ATOM 2248 CG2 VAL 348 10, .647 10.560 36, .116 1.00 56. .01 MOLA

ATOM 2249 C VAL 348 14, .191 12.024 36, .255 1.00 52. .95 MOLA

ATOM 2250 O VAL 348 14, .267 12.819 37, .190 1.00 54. .07 MOLA

ATOM 2251 N ARG 349 15. .258 11.436 35, .720 1.00 52. .84 MOLA

ATOM 2252 CA ARG 349 16. .597 11.685 36. .235 1.00 52. .49 MOLA

ATOM 2253 CB ARG 349 17, 10 • 5 7 35, .809 1.00 50. .23 MOLA

ATOM 2254 CG ARG 349 17, .963 10.595 34, .336 1.00 46. .59 MOLA

ATOM 2255 CD ARG 349 18, .665 9.287 33, .974 1.00 44. .87 MOLA

ATOM 2256 NΞ ARG 349 19, .144 9.262 32, .599 1.00 42. .99 MOLA

ATOM 2257 CZ ARG 349 19, .920 8.307 32, .097 1.00 41, .10 MOLA

ATOM 2258 NH1 ARG 349 20, .328 8.369 30, .829 1.00 32, .17 MOLA

ATOM 2259 NH2 ARG 349 20 .296 7.298 32, .871 1.00 41, .82 MOLA

ATOM 2260 C ARG 349 17, .132 13.029 35, .751 1.00 53, .75 MOLA

ATOM 2261 O ARG 349 18, .229 13.416 36, .199 1.00 56, .16 MOLA

ATOM 2262 OXT ARG 349 16, .465 13.679 34, .925 1.00 54, .36 MOLA

ATOM 2263 CB GLU 22 15, .862 0.077 -13, .092 1.00 57, .01 MOLB

ATOM 2264 CG GLU 22 15 .073 -0.134 -11, .827 1.00 63, .52 MOLB

ATOM 2265 CD GLU 22 13 .677 -0.640 -12, .107 1.00 67, .41 MOLB

ATOM 2266 OΞ1 GLU 22 12 .909 0.065 -12, .805 1.00 70, .43 MOLB

ATOM 2267 OΞ2 GLU 22 13, .349 -1.749 -11, .632 1.00 70, .05 MOLB

ATOM 2268 C GLU 22 18 .086 0.306 -14 .180 1.00 45, .53 MOLB

ATOM 2269 O GLU 22 18 .288 1.299 -14 .872 1.00 43, .79 MOLB

ATOM 2270 N GLU 22 17 .467 1.742 -12, .212 1.00 52, .25 MOLB

ATOM 2271 CA GLU 22 17 .335 0.404 -12, .852 1.00 50, .86 MOLB

ATOM 2272 N THR 23 18 .490 -0.908 -14, .531 1.00 39, .95 MOLB

ATOM 2273 CA THR 23 19 .217 -1.136 -15 .772 1.00 35, .36 MOLB

ATOM 2274 CB THR 23 20 .101 -2.371 -15 .672 1.00 36, .57 MOLB ATOM 2275 OGl THR 23 19..277 -3.477 -15,.282 1.00 33,.46 MOLB

ATOM 2276 CG2 THR 23 21, .225 -2 .169 -14, ,647 1.00 40, .16 MOLB

ATOM 2277 C THR 23 18, .242 -1, .409 -16, ,890 1.00 31, .80 MOLB

ATOM 2278 O THR 23 18, .616 -1, .425 -18, .058 1.00 30, .77 MOLB

ATOM 2279 N GLY 24 16, .990 -1, .669 -16, ,531 1.00 28, .87 MOLB

ATOM 2280 CA GLY 24 16, .005 -1, .989 -17, .540 1.00 27. .24 MOLB

ATOM 2281 C GLY 24 16, .065 -3 .461 -17, .956 1.00 29, .43 MOLB

ATOM 2282 O GLY 24 15, .226 -3, .908 -18, .739 1.00 29, .24 MOLB

ATOM 2283 N LEU 25 17, .038 -4, .222 -17, .450 1.00 27, .54 MOLB

ATOM 2284 CA LΞU 25 17. .153 -5, .636 -17, .831 1.00 26, .41 MOLB

ATOM 2285 CB LΞU 25 18. .519 -6, .207 -17, .370 1.00 26. .30 MOLB

ATOM 2286 CG LEU 25 19. .732 -5 .516 -18, .057 1.00 26, .69 MOLB

ATOM 2287 CD1 LEU 25 21. .061 -5, .968 -17, .447 1.00 22, .65 MOLB

ATOM 2288 CD2 LEU 25 19, .730 -5, .838 -19, .554 1.00 25, .36 MOLB

ATOM 2289 C LΞU 25 15, .975 -6, .486 -17, .306 1.00 28, .20 MOLB

ATOM 2290 O LΞU 25 15. .716 -7, .558 -17, .840 1.00 27, .58 MOLB

ATOM 2291 ASP 26 15. .261 -6, .022 -16, .274 1.00 28, .86 MOLB

ATOM 2292 CA ASP 26 14. .087 -6 .768 -15, .788. 1.00 31, .26 MOLB

ATOM 2293 CB ASP 26 13, .596 -6 .231 -14, .439 1.00 33, .45 MOLB

ATOM 2294 CG ASP 26 14, .477 -6, .670 -13, .287 1.00 40, .79 MOLB

ATOM 2295 OD1 ASP 26 14. .360 -6, .076 -12, .201 1.00 42, .59 MOLB

ATOM 2296 OD2 ASP 26 15. .287 -7, .614 -13, .462 1.00 42, .40 MOLB

ATOM 2297 C ASP 26 12. .944 -6, .703 -16, .807 1.00 31. .23 MOLB

ATOM 2298 O ASP 26 11, .950 -7, .426 -16, .680 1.00 31, .46 MOLB

ATOM 2299 N ASP 27 13, .082 -5, .837 -17, .813 1.00 28, .90 MOLB

ATOM 2300 CA ASP 27 12, .087 -5, .706 -18, .876 1.00 27, .97 MOLB

ATOM 2301 CB ASP 27 12, .111 -4, .290 -19, .495 1.00 29, .74 MOLB

ATOM 2302 CG ASP 27 11, .472 -3, .218 -18, .603 1.00 32, .57 MOLB

ATOM 2303 OD1 ASP 27 11, .799 -2 .016 -18, .791 1.00 31, .79 MOLB

ATOM 2304 OD2 ASP 27 10, .637 -3, .561 -17, .743 1.00 31, .38 MOLB

ATOM 2305 C ASP 27 12, .392 -6, .702 -19, .989 1.00 28, .77 MOLB

ATOM 2306 O ASP 27 11. .702 -6, .725 -21, .002 1.00 27. .27 MOLB

ATOM 2307 N ILΞ 28 13. .445 -7, .499 -19, .818 1.00 26. .79 MOLB

ATOM 2308 CA ILΞ 28 13. ,839 -8, .487 -20, .832 1.00 26. .73 MOLB

ATOM 2309 CB ILE 28 15, .375 -8, .367 -21, .148 1.00 28, .28 MOLB

ATOM 2310 CG2 ILΞ 28 15, .913 -9, .683 -21, .748 1.00 25, .26 MOLB

ATOM 2311 CGI ILΞ 28 15, .622 -7, .237 -22, .182 1.00 27. .08 MOLB

ATOM 2312 CD1 ILΞ 28 15, .021 -5, .926 -21, .862 1.00 30, .51 MOLB

ATOM 2313 C ILΞ 28 13, .518 -9, .914 -20, .329 1.00 27, .15 MOLB

ATOM 2314 O ILΞ 28 13. .833 -10. .256 -19, .194 1.00 26. .90 MOLB

ATOM 2315 N THR 29 12, .850 -10, .710 -21, .158 1.00 25, .29 MOLB

ATOM 2316 CA THR 29 12, .503 -12, .098 -20, .787 1.00 25, .71 MOLB

ATOM 2317 CB THR 29 10, .983 -12, .310 -20, .551 1.00 26, .36 MOLB

ATOM 2318 OGl THR 29 10, .557 -11, .529 -19, .434 1.00 30, .27 MOLB

ATOM 2319 CG2 THR 29 10, .687 -13, .803 -20, .257 1.00 27, .84 MOLB

ATOM 2320 C THR 29 12, .873 -13, .018 -21, .916 1.00 24. .25 MOLB

ATOM 2321 O THR 29 12. .312 -12, .925 -23, .006 1.00 24, .12 MOLB

ATOM 2322 N PHE 30 13. .809 -13, .915 -21, .664 1.00 24, .01 MOLB

ATOM 2323 CA PHΞ 30 14. .206 -14, .874 -22, .688 1.00 25, .35 MOLB

ATOM 2324 CB PHE 30 15. .349 -15, .765 -22, .169 1.00 25, .16 MOLB

ATOM 2325 CG PHE 30 16. .686 -15, .103 -22, .166 1.00 25, .91 MOLB

ATOM 2326 CD1 PHE 30 17. .317 -14, .772 -20, .969 1.00 26, .05 MOLB

ATOM 2327 CD2 PHE 30 17. .323 -14, .822 -23, .369 1.00 26, .43 MOLB

ATOM 2328 CB1 PHΞ 30 18, .593 -14, .166 -20, .969 1.00 26, .02 MOLB

ATOM 2329 CE2 PHΞ 30 18, .586 -14, .219 -23. .387 1.00 28, .43 MOLB ATOM 2330 CZ PHΞ 30 19.220 -13.893 -22.185 1.00 26.83 MOLB

ATOM 2331 C PHE 30 13.034 -15.799 -23.031 1.00 25.11 MOLB

ATOM 2332 O PHΞ 30 12.248 -16.157 -22.138 1.00 24.98 MOLB

ATOM 2333 N VAL 31 12.921 ■16.190 -24.298 1.00 26.22 MOLB

ATOM 2334 CA VAL 31 11.866 -17.136 -24.700 1.00 27.27 MOLB

ATOM 2335 CB VAL 31 11.601 -17.096 -26.240 00 26.48 MOLB

ATOM 2336 CGI VAL 31 10.646 -18.247 -26.664 00 26.63 MOLB

ATOM 2337 CG2 VAL 31 10.983 -15.728 -26.612 00 23.88 MOLB

ATOM 2338 C VAL 31 12.416 ■18.515 -24.301 00 28.54 MOLB

ATOM 2339 O VAL 31 13.505 -18.903 -24.725 00 27.70 MOLB

ATOM 2340 N HIS 32 11.685 -19.212 -23.436 00 29.08 MOLB

ATOM 2341 CA HIS 32 12.088 -20.531 -22.956 1.00 30.56 MOLB

ATOM 2342 CB HIS 32 11.047 -21.041 -21.935 00 29.73 MOLB

ATOM 2343 CG HIS 32 11.316 -22.425 -21.411 00 30.49 MOLB

ATOM 2344 CD2 HIS 32 10.561 -23.550 -21.452 00 25.64 MOLB

ATOM 2345 NDl HIS 32 12.476 -22.767 -20.748 00 29.39 MOLB

ATOM 2346 CE1 HIS 32 12.425 -24.044 -20.403 00 30.96 MOLB

ATOM 2347 NΞ2 HIS 32 11.272 -24.542 -20.819 1.00 28.18 MOLB

ATOM 2348 C HIS 32 12.260 -21.534 -24.094 00 28.98 MOLB

ATOM 2349 O HIS 32 11.422 -21.628 -24.998 00 28.80 MOLB

ATOM 2350 N VAL 33 13.370 -22.273 -24.050 00 29.69 MOLB

ATOM 2351 CA VAL 33 13.698 -23.301 -25.044 00 28.61 MOLB

ATOM 2352 CB VAL 33 15.186 -23.151 -25.491 00 31.73 MOLB

ATOM 2353 CGI VAL 33 15.589 -24.282 -26.453 00 31.49 MOLB

ATOM 2354 CG2 VAL 33 15.375 -21.781 -26.166 1.00 29.68 MOLB

ATOM 2355 C VAL 33 13.486 -24.630 -24.301 1.00 29.73 MOLB

ATOM 2356 O VAL 33 14.126 -24.879 -23.289 1.00 26.02 MOLB

ATOM 2357 N SΞR 34 12.572 -25.468 -24.787 1.00 30.37 MOLB

ATOM 2358 CA SΞR 34 12.280 -26.736 -24.108 1.00 28.83 MOLB

ATOM 2359 CB SΞR 34 10.863 -27.220 -24.470 00 29.93 MOLB

ATOM 2360 OG SΞR 34 9.889 -26.278 -24.047 00 32.15 MOLB

ATOM 2361 C SΞR 34 13.273 -27.858 -24.407 00 26.82 MOLB

ATOM 2362 O SΞR 34 13.473 -28.726 -23.562 00 27.72 MOLB

ATOM 236 N LΞU 35 13.861 -27.828 -25.601 00 27.23 MOLB

ATOM 2364 CA LΞU 35 14.826 -28.831 -26.074 00 27.24 MOLB

ATOM 2365 CB LΞU 35 14.251 -29.522 -27.333 00 29.19 MOLB

ATOM 2366 CG LΞU 35 12.884 -30.207 -27.110 00 32.52 MOLB

ATOM 2367 CD1 LΞU 35 12.119 -30.299 -28.459 00 35.01 MOLB

ATOM 2368 CD2 LΞU 35 13.069 -31.596 -26.479 00 28.90 MOLB

ATOM 2369 C LΞU 35 16.197 -28.180 -26.394 00 28.17 MOLB

ATOM 2370 O LΞU 35 16.649 -28.180 -27.542 1.00 29.89 MOLB

ATOM 2371 N PRO 36 16.888 -27.633 -25.376 1. 00 27.66 MOLB

ATOM 2372 CD PRO 36 16.588 -27.659 -23.932 1.00 28.81 MOLB

ATOM 2373 CA PRO 36 18.182 -26.995 -25.653 1.00 29.82 MOLB

ATOM 2374 CB PRO 36 18.590 -26.412 -24.296 1.00 27.89 MOLB

ATOM 2375 CG PRO 36 17.924 -27.302 -23.296 1.00 30.05 MOLB

ATOM 2376 C PRO 36 19.230 -27.918 -26.281 1, 00 32.06 MOLB

ATOM 2377 O PRO 36 20.092 -27.453 -27.008 1.00 33.59 MOLB

ATOM 2378 N ASP 37 19.152 -29.217 -26.004 1.00 32.30 MOLB

ATOM 2379 CA ASP 37 20.070 -30.165 -26.642 1.00 35.81 MOLB

ATOM 2380 CB ASP 37 19.759 -30.229 -28.138 1.00 34.58 MOLB

ATOM 2381 CG ASP 37 20.183 -31.543 -28.765 1.00 43.01 MOLB

ATOM 2382 OD1 ASP 37 20.707 -31.516 -29.901 1.00 41.44 MOLB

ATOM 2383 OD2 ASP 37 19.973 -32.598 -28.127 1.00 41.58 MOLB

ATOM 2384 C ASP 37 21.546 -29.815 -26.468 1.00 36.55 MOLB ATOM 2385 O ASP 37 22.,336 -29..987 -27..386 1.00 39,,23 MOLB

ATOM 2386 N LΞU 38 21. ,914 -29. .332 -25. .293 1.00 38. .98 MOLB

ATOM 2387 CA LΞU 38 23. ,297 -28. ,951 -25. .034 1.00 41. ,41 MOLB

ATOM 2388 CB LΞU 38 23. ,465 -27. .424 -25. .118 1.00 45. ,13 MOLB

ATOM 2389 CG LΞϋ 38 23. ,706 -26. .784 -26. .485 1.00 49. .17 MOLB

ATOM 2390 CD1 LΞU 38 23. ,901 -25. .269 -26. .298 1.00 48. .94 MOLB

ATOM 2391 CD2 LΞU 38 24. ,954 -27. .397 -27. .145 1.00 49. .80 MOLB

ATOM 2392 C LΞU 38 23. ,745 -29. ,402 -23. .670 1.00 41. .94 MOLB

ATOM 2393 O LΞU 38 22. ,971 -29. ,406 -22. .714 1.00 41. .06 MOLB

ATOM 2394 N ALA 39 25. ,006 -29. ,805 -23. .592 1.00 43. .08 MOLB

ATOM 2395 CA ALA 39 25. ,602 -30. .218 -22, .334 1.00 43, .76 MOLB

ATOM 2396 CB ALA 39 26. ,514 -31. .436 -22, .548 1.00 44. ,03 MOLB

ATOM 2397 C ALA 39 26. ,432 -29. .004 -21. .920 1.00 42. ,96 MOLB

ATOM 2398 O ALA 39 27. ,026 -28. .353 -22. .770 1.00 42. .53 MOLB

ATOM 2399 N LΞU 40 26. .454 -28. .710 -20, .625 1.00 44. .71 MOLB

ATOM 2400 CA LΞU 40 27. .196 -27. .583 -20, .075 1.00 46, .93 MOLB

ATOM 2401 CB LΞU 40 27. .221 -27. .683 -18, .550 1.00 50, .15 MOLB

ATOM 2402 CG LΞU 40 27. ,938 -26. .551 -17. .805 1.00 54, .54 MOLB

ATOM 2403 CD1 LΞU 40 27. .058 -25. .318 -17. .768 1.00 54. .01 MOLB

ATOM 2404 CD2 LΞU 40 28. .254 -27. .003 -16. .391 1.00 57. .22 MOLB

ATOM 2405 C LΞU 40 28. .629 -27. .529 -20. .599 1.00 47, .72 MOLB

ATOM 2406 O LΞU 40 29. .166 -26. .450 -20, .862 1.00 46, .03 MOLB

ATOM 2407 N GLU 41 29. .232 -28. .709 -20. .758 1.00 48. .04 MOLB

ATOM 2408 CA GLU 41 30. .605 -28. .858 -21. .234 1.00 48. .03 MOLB

ATOM 2409 CB GLU 41 31. .043 -30. .327 -21, .131 1.00 51, .47 MOLB

ATOM 2410 CG GLU 41 31, .116 -30. .845 -19, .708 1.00 56, .46 MOLB

ATOM 2411 CD GLU 41 29. ,754 -30. .968 -19, .035 1.00 61, .39 MOLB

ATOM 2412 OΞ1 GLU 41 29. .676 -30. .683 -17, .813 1.00 63, .56 MOLB

ATOM 2413 OΞ2 GLU 41 28. .769 -31. .358 -19, .711 1.00 60. .64 MOLB

ATOM 2414 C GLU 41 30. .851 -28. .382 -22, .642 1.00 47, .14 MOLB

ATOM 2415 O GLU 41 31, .996 -28, .160 -23, .031 1.00 47, .00 MOLB

ATOM 2416 N GLN 42 29, .794 -28, .234 -23, .426 1.00 44. .73 MOLB

ATOM 2417 CA GLN 42 29, .969 -27, .779 -24, .800 1.00 42, .42 MOLB

ATOM 2418 CB GLN 42 28, .870 -28, .341 -25, .690 1.00 45, .75 MOLB

ATOM 2419 CG GLN 42 28. .657 -29, .841 -25, .597 1.00 51, .20 MOLB

ATOM 2420 CD GLN 42 27, .375 -30, .260 -26, .303 1.00 52, .13 MOLB

ATOM 2421 OΞ1 GLN 42 27, .216 -30, .044 -27, .502 1.00 54, .68 MOLB

ATOM 2422 NΞ2 GLN 42 26, .454 -30, .846 -25, .557 1.00 54, .36 MOLB

ATOM 2423 C GLN 42 29, .904 -26 .256 -24, .882 1.00 40 .10 MOLB

ATOM 2424 O GLN 42 30, .231 -25, .673 -25 .915 1.00 40, .46 MOLB

ATOM 2425 N VAL 43 29, .482 -25, .610 -23, .800 1.00 38, .79 MOLB

ATOM 2426 CA VAL 43 29 .342 -24, .155 -23 .827 1.00 37 .63 MOLB

ATOM 2427 CB VAL 43 28 .568 -23 .626 -22 .602 1.00 36 .33 MOLB

ATOM 2428 CGI VAL 43 28, .378 -22 .116 -22 .733 1.00 32 .20 MOLB

ATOM 2429 CG2 VAL 43 27 .208 -24 .322 -22 .499 1.00 38 .11 MOLB

ATOM 2430 C VAL 43 30 .656 -23 .403 -23 .903 1.00 38 .11 MOLB

ATOM 2431 O VAL 43 31 .525 -23 .590 -23 .070 1.00 39 .49 MOLB

ATOM 2432 N ASP 44 30 .772 -22 .542 -24 .909 1.00 38 .73 MOLB

ATOM 2433 CA ASP 44 31 .959 -21 .719 -25 .114 1.00 37 .66 MOLB

ATOM 2434 CB ASP 44 32 .449 -21 .889 -26 .550 1.00 40 .70 MOLB

ATOM 2435 CG ASP 44 33 .508 -20 .870 -26 .923 1.00 45 .44 MOLB

ATOM 2436 OD1 ASP 44 34 .202 -20 .392 -26 .013 1.00 47 .84 MOLB

ATOM 2437 OD2 ASP 44 33 .644 -20 .547 -28 .119 1.00 50 .90 MOLB

ATOM 2438 C ASP 44 31 .613 -20 .249 -24 .841 1.00 37 .44 MOLB

ATOM 2439 O ASP 44 30 .805 -19 .655 -25 .552 1.00 34 .66 MOLB ATOM 2440 N ILΞ 45 32.221 -19.661 -23.813 1.00 36.56 MOLB

ATOM 2441 CA ILΞ 45 31.936 -18.266 -23.474 1.00 35.69 MOLB

ATOM 2442 CB ILΞ 45 31.711 -18.117 -21.967 1.00 35.60 MOLB

ATOM 2443 CG2 ILΞ 45 30.475 -18.933 -21.568 1.00 33.89 MOLB

ATOM 2444 CGI ILΞ 45 32.958 -18.571 -21.189 1.00 32.61 MOLB

ATOM 2445 GDI ILΞ 45 32.845 -18.306 -19.669 1.00 33.49 MOLB

ATOM 2446 C ILΞ 45 32.983 -17.248 -23.927 1.00 37.80 MOLB

ATOM 2447 O ILΞ 45 32.984 -16.080 -23.477 1.00 34.78 MOLB

ATOM 2448 N SΞR 46 33.858 -17.671 -24.837 1.00 35.51 MOLB

ATOM 2449 CA SΞR 46 34.890 -16.782 -25.334 1.00 35.72 MOLB

ATOM 2450 CB SΞR 46 35.936 -17.576 -26.149 1.00 37.94 MOLB

ATOM 2451 OG SΞR 46 35.424 -18.028 -27.390 1.00 40.63 MOLB

ATOM 2452 C SΞR 46 34.220 -15.696 -26.166 1.00 37.36 MOLB

ATOM 2453 O SΞR 46 33.132 -15.891 -26.724 1.00 36.01 MOLB

ATOM 2454 N THR 47 34.849 -14.531 -26.232 1.00 35.36 MOLB

ATOM 2455 CA THR 47 34.267 -13.441 -26.991 1.00 36.47 MOLB

ATOM 2456 CB THR 47 33.309 -12.578 -26.097 1.00 35.20 MOLB

ATOM 2457 OGl THR 47 32.601 -11.630 -26.915 1.00 31.45 MOLB

ATOM 2458 CG2 THR 47 34.117 -11.817 -25.019 1.00 32.57 MOLB

ATOM 2459 C THR 47 35.347 -12.550 -27.576 1.00 39.44 MOLB

ATOM 2460 O THR 47 36.541 -12.766 -27.374 1.00 39.61 MOLB

ATOM 2461 N LYS 48 34.915 -11.538 -28.306 1.00 43.59 MOLB

ATOM 2462 CA LYS 48 35.843 -10.610 -28.899 1.00 45.80 MOLB

ATOM 2463 CB LYS 48 35.917 -10.832 -30.412 1.00 49.61 MOLB

ATOM 2464 CG LYS 48 36.458 -12.208 -30.779 1.00 53.26 MOLB

ATOM 2465 CD LYS 48 37.017 -12.234 -32.194 1.00 59.79 MOLB

ATOM 2466 CΞ LYS 48 38.213 -11.293 -32.353 1.00 61.61 MOLB

ATOM 2467 NZ LYS 48 38.665 -11.210 -33.780 1.00 64.36 MOLB

ATOM 2468 C LYS 48 35.411 -9.197 -28.590 1.00 45.19 MOLB

ATOM 2469 O LYS 48 34.226 -8.903 -28.514 1.00 44.69 MOLB

ATOM 2470 N ILΞ 49 36.393 -8.333 -28.370 1.00 43.92 MOLB

ATOM 2471 CA ILΞ 49 36.147 -6.932 -28.106 1.00 44.14 MOLB

ATOM 2472 CB ILΞ 49 36.705 -6.499 -26.740 1.00 44.62 MOLB

ATOM 2473 CG2 ILE 49 36 ι oo -5.001 -26.553 1.00 43.68 MOLB

ATOM 2474 CGI ILΞ 49 36.049 -7.308 -25.618 1.00 44.70 MOLB

ATOM 2475 CD1 ILΞ 49 36.680 -7.072 -24.235 1.00 44.54 MOLB

ATOM 2476 C ILΞ 49 36.939 -6.260 -29.212 1.00 45.25 MOLB

ATOM 2477 O ILΞ 49 38.123 -5.951 -29.050 1.00 43.26 MOLB

ATOM 2478 N GLY 50 36.286 -6.048 -30.349 1.00 46.22 MOLB

ATOM 2479 CA GLY 50 36.988 -5.468 -31.477 1.00 47.23 MOLB

ATOM 2480 C GLY 50 37.887 -6.580 -31.971 1.00 46.96 MOLB

ATOM 2481 O GLY 50 37.421 -7.702 -32.197 1.00 47.55 MOLB

ATOM 2482 N GLU 51 39.175 -6.287 -32.113 1.00 47.48 MOLB

ATOM 2483 CA GLU 51 40.141 -7.281 -32.558 1.00 47.14 MOLB

ATOM 2484 CB GLU 51 41.305 -6.599 -33.301 1.00 52.80 MOLB

ATOM 2485 CG GLU 51 40.887 -5.877 -34.581 1.00 58.97 MOLB

ATOM 2486 CD GLU 51 42.048 -5.634 -35.545 1.00 64.87 MOLB

ATOM 2487 OΞ1 GLU 51 42.805 -6.593 -35.841 1.00 67.36 MOLB

ATOM 2488 OΞ2 GLU 51 42.197 -4.485 -36.024 1.00 68.63 MOLB

ATOM 2489 C GLU 51 40.690 -8.077 -31.375 1.00 45.73 MOLB

ATOM 2490 O GLU 51 41.389 -9.065 -31.565 1.00 43.45 MOLB

ATOM 2491 N LΞU 52 40.376 -7.644 -30.153 1.00 43.36 MOLB

ATOM 2492 CA LΞU 52 40.860 -8.330 -28.955 1.00 41.13 MOLB

ATOM 2493 CB LΞU 52 40.763 -7.419 -27.723 1.00 39.78 MOLB

ATOM 2494 CG LΞU 52 41.627 -6.166 -27.680 1.00 40.16 MOLB ATOM 2495 CDl LΞU 52 41..318 -5..379 -26..382 1.00 40..20 MOLB

ATOM 2496 CD2 LΞU 52 43, .106 -6. .574 -27. ,737 1.00 38. .54 MOLB

ATOM 2497 C LΞU 52 40. .075 -9. .596 -28. .670 1.00 41, .15 MOLB

ATOM 2498 O LΞU 52 38. .843 -9. .594 -28. ,723 1.00 41, .02 MOLB

ATOM 2499 N SΞR 53 40. .787 -10. .668 -28. .344 1.00 37, .93 MOLB

ATOM 2500 CA SΞR 53 40, .155 -11, .941 -28. .040 1.00 39, .26 MOLB

ATOM 2501 CB SΞR 53 40, .872 -13, .102 -28, .741 1.00 40. .31 MOLB

ATOM 2502 OG SΞR 53 40, .750 -12, .974 -30, .144 1.00 45. .08 MOLB

ATOM 2503 C SΞR 53 40, .195 -12, .191 -26, .562 1.00 39, .38 MOLB

ATOM 2504 O SΞR 53 41, .247 -12. .103 -25, .935 1.00 38, .30 MOLB

ATOM 2505 N SΞR 54 39, .041 -12. .517 -25, .997 1.00 37, .58 MOLB

ATOM 2506 CA SΞR 54 38, .957 -12. .789 -24. .576 1.00 36, .06 MOLB

ATOM 2507 CB SΞR 54 38, .151 -11, .676 -23. .896 1.00 35, .57 MOLB

ATOM 2508 OG SΞR 54 37, .995 -11, .944 -22. .519 1.00 34, .62 MOLB

ATOM 2509 C SΞR 54 38, .287 -14, .135 -24. .335 1.00 37, .47 MOLB

ATOM 2510 O SΞR 54 37, .329 -14, .494 -25. .021 1.00 36, .63 MOLB

ATOM 2511 N SΞR 55 38. .791 -14, .874 -23. .357 1.00 36, .99 MOLB

ATOM 2512 CA SΞR 55 38, .217 -16, .163 -23, .016 1.00 37, .90 MOLB

ATOM 2513 CB SΞR 55 39, .265 -17. .027 -22, .311 1.00 41, .68 MOLB

ATOM 2514 OG SΞR 55 39. .666 -16, .422 -21, .090 1.00 42, .97 MOLB

ATOM 2515 C SΞR 55 36. .993 -15, .994 -22, .097 1.00 36, .00 MOLB

ATOM 2516 O SΞR 55 36. .279 -16, .958 -21, .820 1.00 36, .74 MOLB

ATOM 2517 N SΞR 56 36, .768 -14, .773 -21, .615 1.00 33, .08 MOLB

ATOM 2518 CA SΞR 56 35, .638 -14, .473 -20, .722 1.00 33, .29 MOLB

ATOM 2519 CB SΞR 56 36. .141 -14, .165 -19, .314 1.00 33, .65 MOLB

ATOM 2520 OG SΞR 56 35, .121 -13, .584 -18, .507 1.00 34, .13 MOLB

ATOM 2521 C SΞR 56 34, .815 -13, .276 -21, .194 1.00 32, .22 MOLB

ATOM 2522 O SΞR 56 35, .362 -12, .299 -21, .710 1.00 31. .00 MOLB

ATOM 2523 N PRO 57 33, .485 -13, .340 -21, .011 1.00 31, .07 MOLB

ATOM 2524 CD PRO 57 32, .724 -14, .573 -20, .716 1.00 29, .87 MOLB

ATOM 2525 CA PRO 57 32, .577 -12, .262 -21, .407 1.00 29, .19 MOLB

ATOM 2526 CB PRO 57 31, .316 -13. .025 -21, .811 1.00 28, .65 MOLB

ATOM 2527 CG PRO 57 31, .272 -14, .109 -20, .838 1.00 27, .78 MOLB

ATOM 2528 C PRO 57 32, .330 -11, .329 -20, .217 1.00 29, .02 MOLB

ATOM 2529 O PRO 57 31, .440 -10. .473 -20. .247 1.00 27, .46 MOLB

ATOM 2530 N ILΞ 58 33, .091 -11, .531 -19. .145 1.00 25, .83 MOLB

ATOM 2531 CA ILΞ 58 32, .968 -10. .693 -17, .957 1.00 26. .81 MOLB

ATOM 2532 CB ILΞ 58 32, .397 -11, .507 -16. .785 1.00 31, .13 MOLB

ATOM 2533 CG2 ILΞ 58 32, .445 -10, .701 -15, .512 1.00 31, .60 MOLB

ATOM 2534 CGI ILΞ 58 30, .951 -11, .931 -17. .110 1.00 29. .78 MOLB

ATOM 2535 CDl ILΞ 58 30, .490 -13, .088 -16, .233 1.00 34. .04 MOLB

ATOM 2536 C ILΞ 58 34 .357 -10, .180 -17, .559 1.00 27, .91 MOLB

ATOM 2537 O ILE 58 35 .321 -10, .937 -17, .585 1.00 29, .66 MOLB

ATOM 2538 N PHΞ 59 34 .472 -8, .902 -17, .220 1.00 27, .74 MOLB

ATOM 2539 CA PHΞ 59 35 .768 -8, .385 -16, .784 1.00 29, .27 MOLB

ATOM 2540 CB PHΞ 59 36 .426 -7, .481 -17, .853 1.00 28, .48 MOLB

ATOM 2541 CG PHΞ 59 35 .706 -6, .182 -18, .127 1.00 28, .18 MOLB

ATOM 2542 CDl PHΞ 59 36 .032 -5, .018 -17. .424 1.00 30, .12 MOLB

ATOM 2543 CD2 PHΞ 59 34 .735 -6, .110 -19, .122 1.00 32, .91 MOLB

ATOM 2544 CΞl PHΞ 59 35 .404 -3, .787 -17, .709 1.00 31, .10 MOLB

ATOM 2545 CE2 PHΞ 59 34 .093 -4, .879 -19, .426 1.00 32, .59 MOLB

ATOM 2546 CZ PHΞ 59 34 .439 -3, .719 -18, .707 1.00 29, .35 MOLB

ATOM 2547 C PHΞ 59 35 .589 -7, .643 -15, .477 1.00 30, .11 MOLB

ATOM 2548 O PHΞ 59 34 .463 -7, .319 -15, .086 1.00 29, .43 MOLB

ATOM 2549 N ILΞ 60 36 .703 -7, .413 -14, .795 1.00 27, .67 MOLB ATOM 2550 CA ILE 60 36.714 -6.717 -13.523 1.00 29.52 MOLB

ATOM 2551 CB ILΞ 60 37.856 -7.246 -12.592 1.00 32.38 MOLB

ATOM 2552 CG2 ILE 60 37.825 -6.482 -11.258 1.00 33.49 MOLB

ATOM 2553 CGI ILΞ 60 37.721 -8.754 -12.390 1.00 35.30 MOLB

ATOM 2554 CDl ILE 60 38.880 -9.387 -11.579 1.00 36.77 MOLB

ATOM 2555 C ILΞ 60 36.990 -5.229 -13.710 1.00 30.46 MOLB

ATOM 2556 O ILΞ 60 37.946 -4.853 -14.389 1.00 28.25 MOLB

ATOM 2557 N ASN 61 36.142 -4.402 -13.117 1.00 29.53 MOLB

ATOM 2558 CA ASN 61 36.297 -2.949 -13.116 1.00^' 34.39 MOLB

ATOM 2559 CB ASN 61 34.928 -2.255 -13.254 1.00 38.75 MOLB

ATOM 2560 CG ASN 61 34.567 -1.932 -14.683 1.00 41.17 MOLB

ATOM 2561 OD1 ASN 61 33.438 -2.157 -15.105 1.00 44.29 MOLB

ATOM 2562 ND2 ASN 61 35.525 -1.384 -15.439 1.00 40.99 MOLB

ATOM 2563 C ASN 61 36.865 -2.598 -11.732 1.00 36.51 MOLB

ATOM 2564 O ASN 61 36.148 -2.651 -10.725 1.00 35.38 MOLB

ATOM 2565 N ALA 62 38.144 -2.262 -11.661 1.00 36.77 MOLB

ATOM 2566 CA ALA 62 38.732 -1.885 -10.375 1.00 39.56 MOLB

ATOM 2567 CB ALA 62 40.255 -2.001 -10.445 1.00 38.59 MOLB

ATOM 2568 C ALA 62 38.338 -0.444 -10.050 1.00 42.14 MOLB

ATOM 2569 O ALA 62 37.949 0.314 -10.933 1.00 42.73 MOLB

ATOM 2570 N MΞT 63 38.406 -0.068 -8.781 1.00 46.70 MOLB

ATOM 2571 CA MΞT 63 38.089 1.305 -8.408 1.00 49.81 MOLB

ATOM 2572 CB MΞT 63 37.245 1.332 -7.136 1.00 54.58 MOLB

ATOM 2573 CG MΞT 63 35.974 0.515 -7.272 1.00 61.84 MOLB

ATOM 2574 SD MΞT 63 34.739 0.788 -5.991 1.00 71.32 MOLB

ATOM 2575 CΞ MΞT 63 33.210 0.663 -6.961 1.00 66.46 MOLB

ATOM 2576 C MΞT 63 39.395 2.047 -8.191 1.00 49.60 MOLB

ATOM 2577 O MΞT 63 40.434 1.431 -7.917 1.00 48.77 MOLB

ATOM 2578 N THR 64 39.347 3.367 -8.320 1.00 50.06 MOLB

ATOM 2579 CA THR 64 40.535 4.196 -8.132 1.00 51.61 MOLB

ATOM 2580 CB THR 64 40.201 5.674 -8.396 1.00 52.32 MOLB

ATOM 2581 OGl THR 64 39.283 5.753 -9.497 1.00 52.64 MOLB

ATOM 2582 CG2 THR 64 41.470 6.455 -8.753 1.00 51.10 MOLB

ATOM 2583 C THR 64 41.076 4.030 - 6 • 706 1.00 51.71 MOLB

ATOM 2584 O THR 64 42.284 4.072 -6.480 1.00 51.17 MOLB

ATOM 2585 N GLY 65 40.177 3.839 -5.745 1.00 51.14 MOLB

ATOM 2586 CA GLY 65 40.608 3.647 -4.370 1.00 53.20 MOLB

ATOM 2587 C GLY 65 41.128 4.899 -3.687 1.00 54.26 MOLB

ATOM 2588 O GLY 65 41.052 5.999 -4.239 1.00 53.44 MOLB

ATOM 2589 N GLY 66 41.664 4.731 -2.480 1.00 54.43 MOLB

ATOM 2590 CA GLY 66 42.168 5.870 -1.736 1.00 56.72 MOLB

ATOM 2591 C GLY 66 43.667 6.069 -1.844 1.00 57.64 MOLB

ATOM 2592 O GLY 66 44.249 6.845 -1.089 1.00 59.83 MOLB

ATOM 2593 N GLY 67 44.295 5.371 -2.783 1.00 57.47 MOLB

ATOM 2594 CA GLY 67 45.725 5.500 -2.950 1.00 56.55 MOLB

ATOM 2595 C GLY 67 46.498 4.800 -1.849 1.00 56.25 MOLB

ATOM 2596 O GLY 67 45.931 4.067 -1.022 1.00 57.50 MOLB

ATOM 2597 N GLY 68 47.805 5.023 -1.848 1.00 53.63 MOLB

ATOM 2598 CA GLY 68 48.660 4.419 -0.850 1.00 51.34 MOLB

ATOM 2599 C GLY 68 48.875 2.941 -1.084 1.00 49.78 MOLB

ATOM 2600 O GLY 68 48.375 2.362 -2.057 1.00 48.36 MOLB

ATOM 2601 N LYS 69 49.627 2.333 -0.174 1.00 46.67 MOLB

ATOM 2602 CA LYS 69 49.946 0.913 -0.235 1.00 45.11 MOLB

ATOM 2603 CB LYS 69 50.831 0.524 0.952 1.00 46.16 MOLB

ATOM 2604 CG LYS 69 52.281 0.285 0.590 1.00 50.94 MOLB ATOM 2605 CD LYS 69 52.460 -0.957 -0.271 1.00 51.96 MOLB

ATOM 2606 CΞ LYS 69 53.895 -1.057 -0.785 1.00 53.48 MOLB

ATOM 2607 NZ LYS 69 54.160 -2.342 -1.484 1.00 56.60 MOLB

ATOM 2608 C LYS 69 48.722 0.017 -0.257 1.00 41.32 MOLB

ATOM 2609 O LYS 69 48.773 -1.104 -0.757 1.00 41.10 MOLB

ATOM 2610 N LΞU 70 47.619 0.499 0.293 1.00 40.45 MOLB

ATOM 2611 CA LΞU 70 46.413 -0.296 0.312 1.00 39.49 MOLB

ATOM 2612 CB LΞU 70 45.368 0.371 1.204 1.00 42.45 MOLB

ATOM 2613 CG LΞU 70 44.032 -0.347 1.289 1.00 41.65 MOLB

ATOM 2614 CDl LΞU 70 44.259 -1.808 1.626 1.00 44.85 MOLB

ATOM 2615 CD2 LΞU 70 43.168 0.338 2.335 1.00 45.64 MOLB

ATOM 2616 C LΞU 70 45.863 -0.504 -1.109 1.00 38.04 MOLB

ATOM 2617 O LΞU 70 45.532 -1.624 -1.486 1.00 37.11 MOLB

ATOM 2618 N THR 71 45.769 0.571 -1.889 1.00 37.08 MOLB

ATOM 2619 CA THR 71 45.267 0.480 -3.272 1.00 37.08 MOLB

ATOM 2620 CB THR 71 45.168 1.884 -3.920 1.00 38.21 MOLB

ATOM 2621 OGl THR 71 44.106 2.607 -3.300 1.00 41.21 MOLB

ATOM 2622 CG2 THR 71 44.883 1.786 -5.417 1.00 38.64 MOLB

ATOM 2623 C THR 71 46.235 -0.411 -4.073 1.00 34.50 MOLB

ATOM 2624 O THR 71 45.825 -1.209 -4.915 1.00 33.42 MOLB

ATOM 2625 N TYR 72 47.522 -0.283 -3.772 1.00 34.02 MOLB

ATOM 2626 CA TYR 72 48.555 -1.103 -4.416 1.00 32.16 MOLB

ATOM 2627 CB TYR 72 49.917 -0.758 -3.805 1.00 34.48 MOLB

ATOM 2628 CG TYR 72 51.052 -1.626 -4.303 1.00 34.07 MOLB

ATOM 2629 CDl TYR 72 51.829 -1.237 -5.399 1.00 35.70 MOLB

ATOM 2630 CE1 TYR 72 52.874 -2.030 -5.852 1.00 34.43 MOLB

ATOM 2631 CD2 TYR 72 51.347 -2.837 -3.676 1.00 32.46 MOLB

ATOM 2632 CΞ2 TYR 72 52.382 -3.634 -4.119 1.00 35.61 MOLB

ATOM 2633 CZ TYR 72 53.144 -3.221 -5.211 1.00 33.71 MOLB

ATOM 2634 OH TYR 72 54.161 -4.027 -5.640 1.00 36.81 MOLB

ATOM 2635 C TYR 72 48.265 -2.602 -4.224 1.00 33.53 MOLB

ATOM 2636 O TYR 72 48.261 -3.392 -5.183 1.00 30.42 MOLB

ATOM 2637 N GLU 73 48.020 -3.013 -2.980 1.00 31.43 MOLB

ATOM 2638 CA GLU 73 47.748 -4.423 -2.724 1.00 32.31 MOLB

ATOM 2639 CB GLU 73 47.770 -4.734 -1.222 1.00 32.60 MOLB

ATOM 2640 CG GLU 73 49.137 -4.557 -0.572 1.00 35.23 MOLB

ATOM 2641 CD GLU 73 50.207 -5.510 -1.109 1.00 34.70 MOLB

ATOM 2642 OΞ1 GLU 73 51.395 -5.197 -0.951 1.00 36.78 MOLB

ATOM 2643 OΞ2 GLU 73 49.881 -6.576 -1.668 1.00 38.60 MOLB

ATOM 2644 C GLU 73 46.418 -4.876 -3.313 1.00 31.14 MOLB

ATOM 2645 O GLU 73 46.309 -6.013 -3.760 1.00 31.92 MOLB

ATOM 2646 N ILΞ 74 45.407 -4.005 -3.306 1.00 30.85 MOLB

ATOM 2647 CA ILΞ 74 44.111 -4.369 -3.879 1.00 32.01 MOLB

ATOM 2648 CB ILΞ 74 43.064 -3.250 -3.634 1.00 33.90 MOLB

ATOM 2649 CG2 ILΞ 74 41.842 -3.435 -4.539 1.00 33.20 MOLB

ATOM 2650 CGI ILΞ 74 42.631 -3.258 -2.164 1.00 36.20 MOLB

ATOM 2651 CDl ILΞ 74 41.685 -2.123 -1.826 1.00 38.44 MOLB

ATOM 2652 C ILΞ 74 44.305 -4.588 -5.389 1.00 29.02 MOLB

ATOM 2653 O ILΞ 74 43.858 -5.590 -5.949 1.00 30.04 MOLB

ATOM 2654 N ASN 75 44.993 -3.655 -6.039 1.00 29.83 MOLB

ATOM 2655 CA ASN 75 45.247 -3.782 -7.483 1.00 29.49 MOLB

ATOM 2656 CB ASN 75 45.947 -2.509 -8.020 1.00 29.34 MOLB

ATOM 2657 CG ASN 75 44.977 -1.349 -8.195 1.00 31.54 MOLB

ATOM 2658 OD1 ASN 75 43.764 -1.520 -8.013 1.00 33.09 MOLB

ATOM 2659 ND2 ASN 75 45.489 -0.170 -8.556 1.00 28.56 MOLB ATOM 2660 C ASN 75 46.,067 -5.043 -7.785 1.00 29..69 MOLB

ATOM 2661 O ASN 75 45. ,789 -5.767 -8.747 1.00 29. .30 MOLB

ATOM 2662 N LYS 76 47. .066 -5.327 -6.949 1.00 30. .00 MOLB

ATOM 2663 CA LYS 76 47. ,870 -6.519 -7.140 1.00 28. .80 MOLB

ATOM 2664 CB LYS 76 48. .979 -6.571 -6.089 1.00 29. .96 MOLB

ATOM 2665 CG LYS 76 49. .902 -7.751 -6.229 1.00 30. .75 MOLB

ATOM 2666 CD LYS 76 51. .037 -7.644 -5.229 1.00 36. .46 MOLB

ATOM 2667 CΞ LYS 76 51. .889 -8.902 -5.231 1.00 39. .89 MOLB

ATOM 2668 NZ LYS 76 53. .030 -8.759 -4.265 1.00 44. .22 MOLB

ATOM 2669 C LYS 76 47. .005 -7.776 -7.044 1.00 30. .24 MOLB

ATOM 2670 O LYS 76 47. .139 -8.702 -7.852 1.00 29. .85 MOLB

ATOM 2671 N SΞR 77 46. .130 -7.827 -6.036 1.00 29. .89 MOLB

ATOM 2672 CA SΞR 77 45. .245 -8.978 -5.868 1.00 30. .73 MOLB

ATOM 2673 CB SΞR 77 44. .452 -8.852 -4.556 1.00 32. .61 MOLB

ATOM 2674 OG SΞR 77 45. .307 -9.036 -3.441 1.00 33. .38 MOLB

ATOM 2675 C SΞR 77 44. ,275 -9.120 -7.034 1.00 29. .07 MOLB

ATOM 2676 O SΞR 77 44. .044 -10.232 -7.523 1.00 31. .06 MOLB

ATOM 2677 N LΞU 78 43. .693 -8.004 -7.474 1.00 29, .01 MOLB

ATOM 2678 CA LΞU 78 42. .749 -8.056 -8.600 1.00 27, .75 MOLB

ATOM 2679 CB LΞU 78 42. .143 -6.668 -8.875 1.00 28. .56 MOLB

ATOM 2680 CG LΞU 78 41. .228 -6.047 -7.813 1.00 30. .93 MOLB

ATOM 2681 CDl LΞU 78 40. .849 -4.611 -8.232 1.00 26, .71 MOLB

ATOM 2682 CD2 LΞU 78 39. ,978 -6.921 -7.629 1.00 31, .06 MOLB

ATOM 2683 C LΞU 78 43. .492 -8.546 -9.843 1.00 27, .54 MOLB

ATOM 2684 O LΞU 78 42. .952 -9.350 -10.593 1.00 27. .35 MOLB

ATOM 2685 N ALA 79 44. .731 -8.075 -10.055 1.00 25. .89 MOLB

ATOM 2686 CA ALA 79 45. .512 -8.518 -11.218 1.00 27. .89 MOLB

ATOM 2687 CB ALA 79 46. .826 -7.685 -11.337 1.00 25. .64 MOLB

ATOM 2688 C ALA 79 45. .825 -10.019 -11.124 1.00 27, .84 MOLB

ATOM 2689 O ALA 79 45. .757 -10.736 -12.123 1.00 29, .48 MOLB

ATOM 2690 N ARG 80 46. .176 -10.485 -9.926 1.00 31, .56 MOLB

ATOM 2691 CA ARG 80 46. .452 -11.898 -9.698 1.00 33, .63 MOLB

ATOM 2692 CB ARG 80 46. .821 -12.153 -8.236 1.00 37, .57 MOLB

ATOM 2693 CG ARG 80 48. . 86 -11.984 -7.923 1.00 46, .75 MOLB

ATOM 2694 CD ARG 80 48, .885 -13.352 -7.689 1.00 53. .13 MOLB

ATOM 2695 NΞ ARG 80 49, .129 -13.595 -6.280 1.00 56, .02 MOLB

ATOM 2696 CZ ARG 80 50, .096 -13.006 -5.590 1.00 60. .25 MOLB

ATOM 2697 NH1 ARG 80 50, .900 -12.142 -6.190 1.00 61, .44 MOLB

ATOM 2698 NH2 ARG 80 50, .271 -13.288 -4.305 1.00 63, .06 MOLB

ATOM 2699 C ARG 80 45, .221 -12.724 -10.019 1.00 32, .64 MOLB

ATOM 2700 O ARG 80 45, .299 -13.712 -10.743 1.00 34, .30 MOLB

ATOM 2701 N ALA 81 44. .084 -12.334 -9.456 1.00 33, .02 MOLB

ATOM 2702 CA ALA 81 42, .845 -13.069 -9.701 1.00 33, .87 MOLB

ATOM 2703 CB ALA 81 41, .702 -12.476 -8.880 1.00 33, .30 MOLB

ATOM 2704 C ALA 81 42, .493 -13.067 -11.191 1.00 33, .49 MOLB

ATOM 2705 O ALA 81 42. .147 -14.114 -11.747 1.00 35, .27 MOLB

ATOM 2706 N ALA 82 42, .578 -11.902 -11.837 1.00 32, .95 MOLB

ATOM 2707 CA ALA 82 42, .271 -11.807 -13.263 1.00 32 .42 MOLB

ATOM 2708 CB ALA 82 42, .410 -10.348 -13.748 1.00 31, .84 MOLB

ATOM 2709 C ALA 82 43, .190 -12.712 -14.078 1.00 32 .77 MOLB

ATOM 2710 O ALA 82 42, .740 -13.372 -15.012 1.00 32, .15 MOLB

ATOM 2711 N SΞR 83 44, .475 -12.755 -13.723 1.00 32 .02 MOLB

ATOM 2712 CA SΞR 83 45 .422 -13.597 -14.461 1.00 33 .46 MOLB

ATOM 2713 CB SΞR 83 46 .851 -13.364 -13.966 1.00 35 .80 MOLB

ATOM 2714 OG SER 83 47 .757 -14.154 -14.707 1.00 38 .83 MOLB ATOM 2715 C SΞR 83 45,.107 -15,.086 -14,.353 1.00 35,.35 MOLB

ATOM 2716 O SΞR 83 45, .170 -15. .821 -15, .339 1.00 36, .22 MOLB

ATOM 2717 N GLN 84 44, .768 -15. .532 -13, .150 1.00 35, .35 MOLB

ATOM 2718 CA GLN 84 44. .455 -16. .938 -12, .919 1.00 38, .23 MOLB

ATOM 2719 CB GLN 84 44, .454 -17. .222 -11, .413 1.00 39, .57 MOLB

ATOM 2720 CG GLN 84 45, .816 -17. .034 -10, .780 1.00 45, .96 MOLB

ATOM 2721 CD GLN 84 45, .778 -16. .999 -9, .270 1.00 49, .50 MOLB

ATOM 2722 OΞ1 GLN 84 46, .797 -16, .757 -8 .628 1.00 53, .38 MOLB

ATOM 2723 NΞ2 GLN 84 44, .606 -17, .235 -8, .692 1.00 52, .68 MOLB

ATOM 2724 C GLN 84 43, .107 -17, .329 -13. .527 1.00 37, .98 MOLB

ATOM 2725 O GLN 84 42, .990 -18, .387 -14, .140 1.00 39, .70 MOLB

ATOM 2726 N ALA 85 42. .094 -16, .486 -13, .352 1.00 36, .86 MOLB

ATOM 2727 CA ALA 85 40, .767 -16, .778 -13, .911 1.00 36, .30 MOLB

ATOM 2728 CB ALA 85 39, .707 -15, .905 -13, .231 1.00 36, .52 MOLB

ATOM 2729 C ALA 85 40, .735 -16, .566 -15. .435 1.00 35. .16 MOLB

ATOM 2730 O ALA 85 39, .818 -17, .031 -16, .131 1.00 33. .05 MOLB

ATOM 2731 N GLY 86 41, .748 -15, .880 -15, .953 1.00 33, .38 MOLB

ATOM 2732 CA GLY 86 41, .804 -15, .609 -17, .385 1.00 34, .18 MOLB

ATOM 2733 C GLY 86 40, .800 -14, .549 -17. .855 1.00 33, .73 MOLB

ATOM 2734 O GLY 86 40. .351 -14. .602 -18, .998 1.00 35, .03 MOLB

ATOM 2735 N ILΞ 87 40, .425 -13. .603 -16, .992 1.00 30. .26 MOLB

ATOM 2736 CA ILΞ 87 39, .467 -12, .564 -17, .405 1.00 30, .86 MOLB

ATOM 2737 CB ILΞ 87 38, .213 -12, .452 -16, .470 1.00 31, .73 MOLB

ATOM 2738 CG2 ILE 87 37, .565 -13, .829 -16, .287 1.00 34, .74 MOLB

ATOM 2739 CGI ILΞ 87 38. .592 -11, .860 -15, .107 1.00 33. .09 MOLB

ATOM 2740 CDl ILΞ 87 37, .419 -11. .632 -14, .185 1.00 33. .77 MOLB

ATOM 2741 C ILΞ 87 40. .159 -11. .199 -17, .473 1.00 30, .57 MOLB

ATOM 2742 O ILΞ 87 41, .190 -10. .977 -16, .831 1.00 30, .32 MOLB

ATOM 2743 N PRO 88 39, .614 -10. .268 -18, .275 1.00 29, .57 MOLB

ATOM 2744 CD PRO 88 38, .505 -10. .465 -19, .227 1.00 28. .36 MOLB

ATOM 2745 CA PRO 88 40, .203 -8. .925 -18, .415 1.00 27, .43 MOLB

ATOM 2746 CB PRO 88 39. .390 -8. .294 -19, .547 1.00 27, .26 MOLB

ATOM 2747 CG PRO 88 38, .846 -9, .490 -20, .311 1.00 26. .25 MOLB

ATOM 2748 C PRO 88 40, .076 -8, .095 -17, .150 1.00 28 < .19 MOLB

ATOM 2749 O PRO 88 39, .211 -8. .340 -16, .318 1.00 27, .07 MOLB

ATOM 2750 N LΞU 89 40, .930 -7, .090 -17, .031 1.00 26. .76 MOLB

ATOM 2751 CA LΞU 89 40, .929 -6. .191 -15, .884 1.00 27. .16 MOLB

ATOM 2752 CB LΞU 89 42, .152 -6. .465 -15, .007 1.00 27, .64 MOLB

ATOM 2753 CG LΞU 89 42, .397 -5, .468 -13, .872 1.00 29. .93 MOLB

ATOM 2754 CDl LΞU 89 41, .251 -5. .507 -12, .862 1.00 32, .06 MOLB

ATOM 2755 CD2 LΞU 89 43, .710 -5, .818 -13, .185 1.00 35, .09 MOLB

ATOM 2756 C LΞU 89 40, .984 -4. .753 -16, .369 1.00 26, .65 MOLB

ATOM 2757 O LΞU 89 41, .877 -4, .393 -17, .125 1.00 25, .28 MOLB

ATOM 2758 N ALA 90 40, .036 -3, .935 -15, .935 1.00 27, .05 MOLB

ATOM 2759 CA ALA 90 40, .031 -2. .520 -16, .289 1.00 26, .70 MOLB

ATOM 2760 CB ALA 90 38 .626 -2, .093 -16, .728 1.00 27, .29 MOLB

ATOM 2761 C ALA 90 40, .435 -1, .804 -15, .002 1.00 31, .40 MOLB

ATOM 2762 O ALA 90 39 .773 -1, .957 -13, .968 1.00 30, .53 MOLB

ATOM 2763 N VAL 91 41, .530 -1, .043 -15, .040 1.00 28, .10 MOLB

ATOM 2764 CA VAL 91 41, .985 -0, .360 -13, .834 1.00 27, .17 MOLB

ATOM 2765 CB VAL 91 43, .489 0, .062 -13, .942 1.00 27, .29 MOLB

ATOM 2766 CGI VAL 91 44, .374 -1, .180 -14, .167 1.00 26, .65 MOLB

ATOM 2767 CG2 VAL 91 43 .651 1, .052 -15, .074 1.00 24, .22 MOLB

ATOM 2768 C VAL 91 41, .167 0, .890 -13, .559 1.00 27, .27 MOLB

ATOM 2769 O VAL 91 40 .375 1, .317 -14, .400 1.00 27, .83 MOLB ATOM 2770 N GLY 92 41.365 1,.464 -12..370 1.00 28,.77 MOLB

ATOM 2771 CA GLY 92 40.666 2, .678 -12. .001 1.00 30, .14 MOLB

ATOM 2772 C GLY 92 41.306 3, .860 -12, .715 1.00 31, .84 MOLB

ATOM 2773 O GLY 92 42.288 3. .696 -13. .451 1.00 30, .25 MOLB

ATOM 2774 N SΞR 93 40.778 5, .060 -12, .513 1.00 29, .75 MOLB

ATOM 2775 CA SΞR 93 41.336 6. .216 -13, .198 1.00 32, .74 MOLB

ATOM 2776 CB SΞR 93 40.625 7, .507 -12. .778 1.00 33, .20 MOLB

ATOM 2777 OG SΞR 93 41.293 8. .631 -13. .389 1.00 34, .64 MOLB

ATOM 2778 C SΞR 93 42.837 6. .378 -12. .948 1.00 30, .90 MOLB

ATOM 2779 O SΞR 93 43.281 6. .355 -11. .800 1.00 30, .87 MOLB

ATOM 2780 N GLN 94 43.608 6, .544 -14. .027 1.00 29, .19 MOLB

ATOM 2781 CA GLN 94 45.063 6. .715 -13. .920 1.00 29, .36 MOLB

ATOM 2782 CB GLN 94 45.775 5, .991 -15, .076 1.00 28. .42 MOLB

ATOM 2783 CG GLN 94 45.719 4, .475 -15, .016 1.00 27, .91 MOLB

ATOM 2784 CD GLN 94 46.224 3, .841 -16. .307 1.00 30. .86 MOLB

ATOM 2785 OΞ1 GLN 94 47.433 3, .570 -16. .479 1.00 33, .62 MOLB

ATOM 2786 NΞ2 GLN 94 45.315 3, .625 -17. .224 1.00 22. .60 MOLB

ATOM 2787 C GLN 94 45.463 8, .182 -13, .953 1.00 30, .80 MOLB

ATOM 2788 O GLN 94 46.639 8. .481 -13, .974 1.00 30, .35 MOLB

ATOM 2789 N MΞT 95 44.490 9, .095 -13, .948 1.00 32, .30 MOLB

ATOM 2790 CA MΞT 95 44.787 10, .529 -14, .026 1.00 36, .78 MOLB

ATOM 2791 CB MΞT 95 43.491 11, .346 -13, .924 1.00 43, .30 MOLB

ATOM 2792 CG MΞT 95 43.553 12, .734 -14, .584 1.00 48, .47 MOLB

ATOM 2793 SD MΞT 95 43.856 12, .702 -16, .431 1.00 60, .12 MOLB

ATOM 2794 CΞ MΞT 95 42.217 11, .998 -17, .033 1.00 49, .80 MOLB

ATOM 2795 C MΞT 95 45.792 11, .009 -12, .974 1.00 38. .63 MOLB

ATOM 2796 O MΞT 95 46.788 11, .639 -13, .314 1.00 39, .03 MOLB

ATOM 2797 N SΞR 96 45.555 10, .698 -11, .706 1.00 39, .22 MOLB

ATOM 2798 CA SΞR 96 46.484 11, .130 -10, .674 1.00 43, .12 MOLB

ATOM 2799 CB SΞR 96 45.843 10. .991 -9. .287 1.00 45, .25 MOLB

ATOM 2800 OG SΞR 96 45.184 9. .744 -9. .169 1.00 54, .19 MOLB

ATOM 2801 C SΞR 96 47.822 10. .380 -10. .734 1.00 41, .20 MOLB

ATOM 2802 O SΞR 96 48.872 10. .968 -10. .464 1.00 40, .96 MOLB

ATOM 2803 N ALA 97 47.799 9, .099 -11, .102 1.00 38, .18 MOLB

ATOM 2804 CA ALA 97 49.035 8. .313 -11, .201 1.00 36, .43 MOLB

ATOM 2805 CB ALA 97 48.726 6. .839 -11, .538 1.00 35, .00 MOLB

ATOM 2806 C ALA 97 49.976 8. .891 -12, .253 1.00 36, .44 MOLB

ATOM 2807 O ALA 97 51.183 8. .639 -12, .224 1.00 35, .09 MOLB

ATOM 2808 N LΞU 98 49.422 9, .655 -13. .188 1.00 35. .39 MOLB

ATOM 2809 CA LΞU 98 50.226 10, .285 -14, .233 1.00 38. .99 MOLB

ATOM 2810 CB LEU 98 49.318 11, .019 -15, .219 1.00 39, .00 MOLB

ATOM 2811 CG LEU 98 49.075 10, .425 -16, .619 1.00 41, .63 MOLB

ATOM 2812 CDl LΞU 98 49.202 8. .932 -16, .649 1.00 39, .72 MOLB

ATOM 2813 CD2 LΞU 98 47.735 10, .891 -17, .099 1.00 37, .22 MOLB

ATOM 2814 C LΞU 98 51.230 11, .270 -13, .631 1.00 41, .69 MOLB

ATOM 2815 O LΞU 98 52.337 11, .405 -14, .134 1.00 41, .44 MOLB

ATOM 2816 N LYS 99 50.839 11, .979 -12, .576 1.00 44, .50 MOLB

ATOM 2817 CA LYS 99 51.775 12, .915 -11, .954 1.00 47, .86 MOLB

ATOM 2818 CB LYS 99 51.189 14, .335 -11, .853 1.00 51, .60 MOLB

ATOM 2819 CG LYS 99 49.671 14, .446 -11. .878 1.00 57, .09 MOLB

ATOM 2820 CD LYS 99 49.141 14, .376 ^"-13, .313 1.00 61, .76 MOLB

ATOM 2821 CΞ LYS 99 47.615 14, .489 -13, .366 1.00 64, .27 MOLB

ATOM 2822 NZ LYS 99 47.070 14, .468 -14, .764 1.00 64, .31 MOLB

ATOM 2823 C LYS 99 52.284 12, .477 -10, .578 1.00 46, .96 MOLB

ATOM 2824 O LYS 99 53.188 13, .099 -10, .033 1.00 47, .46 MOLB ATOM 2825 N ASP 100 51.734 11.395 -10.034 1.00 44.18 MOLB

ATOM 2826 CA ASP 100 52.157 10.904 -8.728 1.00 42.32 MOLB

ATOM 2827 CB ASP 100 50.929 10.694 -7.844 1.00 45.66 MOLB

ATOM 2828 CG ASP 100 51.285 10.419 -6.397 1.00 49.61 MOLB

ATOM 2829 OD1 ASP 100 52.056 9.479 -6.120 1.00 50.97 MOLB

ATOM 2830 OD2 ASP 100 50.772 11.148 -5.524 1.00 56.40 MOLB

ATOM 2831 C ASP 100 52.949 9.591 -8.836 1.00 41.08 MOLB

ATOM 2832 O ASP 100 52.371 8.523 -8.999 1.00 38.55 MOLB

ATOM 2833 N PRO 101 54.288 9.655 -8.713 1.00 43.03 MOLB

ATOM 2834 CD PRO 101 55.054 10.881 -8.433 1.00 43.58 MOLB

ATOM 2835 CA PRO 101 55.184 8.486 -8.798 1.00 42.14 MOLB

ATOM 2836 CB PRO 101 56.539 9.056 -8.384 1.00 43.82 MOLB

ATOM 2837 CG PRO 101 56.455 10.483 -8.863 1.00 45.83 MOLB

ATOM 2838 C PRO 101 54.769 7.311 -7.924 1.00 41.26 MOLB

ATOM 2839 O PRO 101 54.847 6.148 -8.329 1.00 41.04 MOLB

ATOM 2840 N SΞR 102 54.324 7.614 -6.716 1.00 41.65 MOLB

ATOM 2841 CA SΞR 102 53.907 6.573 -5.795 1.00 42.74 MOLB

ATOM 2842 CB SΞR 102 53.630 7.184 -4.415 1.00 45.98 MOLB

ATOM 2843 OG SΞR 102 53.400 6.157 -3.466 1.00 51.46 MOLB

ATOM 2844 C SΞR 102 52.659 5.849 -6.301 1.00 41.63 MOLB

ATOM 2845 O SΞR 102 52.599 4.612 -6.313 1.00 40.01 MOLB

ATOM 2846 N GLU 103 51.662 6.621 -6.720 1.00 40.29 MOLB

ATOM 2847 CA GLU 103 50.430 6.025 -7.205 1.00 39.40 MOLB

ATOM 2848 CB GLU 103 49.394 7.113 -7.483 1.00 43.82 MOLB

ATOM 2849 CG GLU 103 47.993 6.557 -7.721 1.00 52.16 MOLB

ATOM 2850 CD GLU 103 46.921 7.637 -7.817 1.00 55.69 MOLB

ATOM 2851 OΞ1 GLU 103 45.744 7.274 -8.064 1.00 55.41 MOLB

ATOM 2852 OΞ2 GLU 103 47.251 8.839 -7.642 1.00 56.47 MOLB

ATOM 2853 C GLU 103 50.722 5.212 -8.468 1.00 37.91 MOLB

ATOM 2854 O GLU 103 50.142 4.151 -8.679 1.00 36.76 MOLB

ATOM 2855 N ARG 104 51.641 5.700 -9.295 1.00 35.78 MOLB

ATOM 2856 CA ARG 104 51.992 4.989 -10.518 1.00 34.35 MOLB

ATOM 2857 CB ARG 104 53.138 5.713 -11.246 1.00 35.40 MOLB

ATOM 2858 CG ARG 104 53.729 4.937 -12.421 1.00 O • J1 MOLB

ATOM 2859 CD ARG 104 54.902 5.706 -13.029 1.00 34.48 MOLB

ATOM 2860 NΞ ARG 104 54.439 6.855 -13.774 1.00 35.21 MOLB

ATOM 2861 CZ ARG 104 54.176 6.829 -15.078 1.00 38.52 MOLB

ATOM 2862 NH1 ARG 104 53.734 7.919 -15.685 1.00 41.14 MOLB

ATOM 2863 NH2 ARG 104 54.386 •5.724 -15.780 1.00 35.28 MOLB

ATOM 2864 C ARG 104 52.373 3.538 -10.248 1.00 32.87 MOLB

ATOM 2865 O ARG 104 52.036 2.650 -11.038 1.00 30.99 MOLB

ATOM 2866 N LΞU 105 53.067 3.275 -9.138 1.00 30.85 MOLB

ATOM 2867 CA LΞU 105 53.463 1.894 -8.819 1.00 30.57 MOLB

ATOM 2868 CB LΞU 105 54.316 1.859 -7.537 1.00 33.75 MOLB

ATOM 2869 CG LΞU 105 55.595 2.719 -7.553 1.00 36.08 MOLB

ATOM 2870 CDl LΞU 105 56.260 2.716 -6.166 1.00 34.98 MOLB

ATOM 2871 CD2 LΞU 105 56.559 2.165 -8.603 1.00 37.35 MOLB

ATOM 2872 C LΞU 105 52.245 0.975 -8.633 1.00 28.79 MOLB

ATOM 2873 O LΞU 105 52.300 -0.219 -8.920 1.00 26.62 MOLB

ATOM 2874 N SΞR 106 51.150 1.550 -8.158 1.00 30.52 MOLB

ATOM 2875 CA SΞR 106 49.908 0.801 -7.925 1.00 31.69 MOLB

ATOM 2876 CB SΞR 106 48.963 1.645 -7.071 1.00 31.27 MOLB

ATOM 2877 OG SΞR 106 49.567 1.856 -5.806 1.00 36.42 MOLB

ATOM 2878 C SΞR 106 49.210 0.357 -9.214 1.00 33.28 MOLB

ATOM 2879 O SΞR 106 48.304 -0.492 -9.179 1.00 33.21 MOLB ATOM 2880 N TYR 107 49.627 0..938 -10.,340 1.00 29..43 MOLB

ATOM 2881 CA TYR 107 49.089 0, .552 -11. .646 1.00 29. .22 MOLB

ATOM 2882 CB TYR 107 48.752 1, .794 -12. .478 1.00 26. .36 MOLB

ATOM 2883 CG TYR 107 47.540 2, .492 -11. .912 1.00 31. .16 MOLB

ATOM 2884 CDl TYR 107 47.670 3, .447 -10. ,903 1.00 33. .20 MOLB

ATOM 2885 CΞl TYR 107 46.551 4. .001 -10. .275 1.00 36. .40 MOLB

ATOM 2886 CD2 TYR 107 46.258 2. .108 -12, .292 1.00 31. .59 MOLB

ATOM 2887 CΞ2 TYR 107 45.136 2, .652 -11, .674 1.00 35, .66 MOLB

ATOM 2888 CZ TYR 107 45.291 3, .592 -10. .668 1.00 35, ,53 MOLB

ATOM 2889 OH TYR 107 44.189 4. .108 -10. .054 1.00 40. ,11 MOLB

ATOM 2890 C TYR 107 50.094 -0, .342 -12. .368 1.00 27. ,12 MOLB

ATOM 2891 O TYR 107 49.728 -1. .340 -12. .958 1.00 25. .83 MOLB

ATOM 2892 N GLU 108 51.374 0. .001 -12. .316 1.00 27. .16 MOLB

ATOM 2893 CA GLU 108 52.364 -0. .858 -12. .962 1.00 26. .56 MOLB

ATOM 2894 CB GLU 108 53.763 -0. .264 -12. .787 1.00 28. .55 MOLB

ATOM 2895 CG GLU 108 53.893 1, .095 -13. .475 1.00 31. ,86 MOLB

ATOM 2896 CD GLU 108 55.258 1, .746 -13. .275 1.00 37. .51 MOLB

ATOM 2897 OΞ1 GLU 108 55.587 2, .666 -14. ,061 1.00 39, .31 MOLB

ATOM 2898 OΞ2 GLU 108 55.973 1, .356 -12. ,328 1.00 35. .68 MOLB

ATOM 2899 C GLU 108 52.332 -2, .275 -12, .416 1.00 27, .34 MOLB

ATOM 2900 O GLU 108 52.614 -3, .239 -13, .132 1.00 26. .09 MOLB

ATOM 2901 N ILΞ 109 51.996 -2, .418 -11, .134 1.00 27, .69 MOLB

ATOM 2902 CA ILΞ 109 51.963 -3. .750 -10. .520 1.00 27, .25 MOLB

ATOM 2903 CB ILΞ 109 51.637 -3, .668 -8. .991 1.00 28. .16 MOLB

ATOM 2904 CG2 ILΞ 109 50.210 -3. .119 -8. .784 1.00 29, .84 MOLB

ATOM 2905 CGI ILΞ 109 51.757 -5, .043 -8. .338 1.00 29, .20 MOLB

ATOM 2906 CDl ILΞ 109 53.157 -5. .688 -8. .444 1.00 29, .91 MOLB

ATOM 2907 C ILΞ 109 50.943 -4, .667 -11. ,204 1.00 27, .30 MOLB

ATOM 2908 O ILΞ 109 51.101 -5. .879 -11. .222 1.00 28, .04 MOLB

ATOM 2909 N VAL 110 49.890 -4. .089 -11, .774 1.00 28, .09 MOLB

ATOM 2910 CA VAL 110 48.878 -4, .902 -12, .445 1.00 29, .31 MOLB

ATOM 2911 CB VAL 110 47.706 -3, .981 -12. .891 1.00 33, .49 ,MOLB

ATOM 2912 CGI VAL 110 46.828 -4, .654 -13. .852 1.00 37, .56 MOLB

ATOM 2913 CG2 VAL 110 46.929 -3, .545 -11. .651 1.00 29, .07 MOLB

ATOM 2914 C VAL 110 49.457 -5, .687 -13. .632 1.00 29, .51 MOLB

ATOM 2915 O VAL 110 49.143 -6. .885 -13. .826 1.00 27, .45 MOLB

ATOM 2916 N ARG 111 50.301 -5. .038 -14. .434 1.00 26, .64 MOLB

ATOM 2917 CA ARG 111 50.906 -5, .738 -15. .576 1.00 27, .72 MOLB

ATOM 2918 CB ARG 111 51.459 -4. .733 -16. .610 1.00 27, .50 MOLB

ATOM 2919 CG ARG 111 52.118 -5, .404 -17. .834 1.00 28, .90 MOLB

ATOM 2920 CD ARG 111 51.194 -6, .448 -18, .462 1.00 27, .70 MOLB

ATOM 2921 NE ARG 111 50.137 -5, .847 -19, .285 1.00 28 .21 MOLB

ATOM 2922 CZ ARG 111 49.106 -6, .526 -19, .789 1.00 27 .56 MOLB

ATOM 2923 NH1 ARG 111 48.225 -5, .905 -20, .571 1.00 26 .70 MOLB

ATOM 2924 NH2 ARG 111 48.941 -7, .820 -19, .515 1.00 26 .87 MOLB

ATOM 2925 C ARG 111 52.025 -6, .691 -15. .121 1.00 28 .57 MOLB

ATOM 2926 O ARG 111 52.232 -7, .732 -15. .737 1.00 30 .35 MOLB

ATOM 2927 N LYS 112 52.749 -6, .343 -14. .056 1.00 30 .83 MOLB

ATOM 2928 CA LYS 112 53.799 -7, .242 -13. .565 1.00 32 .87 MOLB

ATOM 2929 CB LYS 112 54.590 -6, .565 -12, .439 1.00 34 .23 MOLB

ATOM 2930 CG LYS 112 55.428 -5, .414 -12, .950 1.00 34 .21 MOLB

ATOM 2931 CD LYS 112 56.175 -4, .724 -11, .833 1.00 37 .35 MOLB

ATOM 2932 CΞ LYS 112 57.328 -3. .900 -12, .398 1.00 36 .18 MOLB

ATOM 2933 NZ LYS 112 58.104 -3, .340 -11. .299 1.00 38 .33 MOLB

ATOM 2934 C LYS 112 53.198 -8, .550 -13. .061 1.00 34 .20 MOLB ATOM 2935 O LYS 112 53..720 -9..643 -13,.312 1.00 33,.56 MOLB

ATOM 2936 N GLU 113 52. .071 -8. .428 -12, .372 1.00 32, .01 MOLB

ATOM 2937 CA GLU 113 51, .383 -9. .580 -11, .812 1.00 32, .95 MOLB

ATOM 2938 CB GLU 113 50, .523 -9. .096 -10. .632 1.00 35, .44 MOLB

ATOM 2939 CG GLU 113 50, .239 -10. .153 -9, .613 1.00 46, .18 MOLB

ATOM 2940 CD GLU 113 51, .507 -10. .665 -8. .922 1.00 43, .84 MOLB

ATOM 2941 OΞ1 GLU 113 51, .581 -11. .873 -8, .676 1.00 51, .81 MOLB

ATOM 2942 OΞ2 GLU 113 52, .402 -9. .861 -8, .629 1.00 46, .71 MOLB

ATOM 2943 C GLU 113 50. .523 -10, .335 -12. .840 1.00 33, .85 MOLB

ATOM 2944 O GLU 113 50. .229 -11. .516 -12, .664 1.00 34, .31 MOLB

ATOM 2945 N ASN 114 50, .161 -9. ,674 -13, .934 1.00 29, .77 MOLB

ATOM 2946 CA ASN 114 49, .315 -10. .287 -14. .963 1.00 31. .25 MOLB

ATOM 2947 CB ASN 114 47, .903 -9. .699 -14, .791 1.00 28, .16 MOLB

ATOM 2948 CG ASN 114 46, .897 -10. .214 -15, .790 1.00 33, .13 MOLB

ATOM 2949 OD1 ASN 114 45, .749 -9. .705 -15, .839 1.00 35, .47 MOLB

ATOM 2950 ND2 ASN 114 47, .286 -11. .193 -16, .593 1.00 28, .06 MOLB

ATOM 2951 C ASN 114 49, ,928 -9. ,946 -16, .340 1.00 31, .55 MOLB

ATOM 2952 O ASN 114 49, .397 -9. .125 -17, .090 1.00 28. .62 MOLB

ATOM 2953 N PRO 115 51, .059 -10. .589 -16, .688 1.00 31, .95 MOLB

ATOM 2954 CD PRO 115 51. .725 -11. .673 -15, .933 1.00 34. .22 MOLB

ATOM 2955 CA PRO 115 51, .752 -10. .342 -17, .963 1.00 33. .94 MOLB

ATOM 2956 CB PRO 115 53, .077 -11. .094 -17, .790 1.00 33, .78 MOLB

ATOM 2957 CG PRO 115 52, .671 -12. .279 -16, .970 1.00 34, .63 MOLB

ATOM 2958 C PRO 115 51, .049 -10. .738 -19, .246 1.00 33, .08 MOLB

ATOM 2959 O PRO 115 51, .274 -10. .131 -20, .289 1.00 35, .59 MOLB

ATOM 2960 N ASN 116 50, .182 -11. .728 -19, .171 1.00 32, .11 MOLB

ATOM 2961 CA ASN 116 49, .520 -12. .225 -20, .366 1.00 35, .60 MOLB

ATOM 2962 CB ASN 116 49, .686 -13. .753 -20, .447 1.00 38, .65 MOLB

ATOM 2963 CG ASN 116 51, .143 -14. .192 -20, .376 1.00 43. .02 MOLB

ATOM 2964 OD1 ASN 116 51, .435 -15, .312 -19, .966 1.00 50, .58 MOLB

ATOM 2965 ND2 ASN 116 52, .054 -13, .324 -20, .787 1.00 44. .31 MOLB

ATOM 2966 C ASN 116 48, .041 -11, .901 -20. .497 1.00 33. .58 MOLB

ATOM 2967 O ASN 116 47, .452 -12, .196 -21, .528 1.00 34, .48 MOLB

ATOM 2968 N GLY 117 47, .432 -11, .299 -19, .484 1.00 30, .18 MOLB

ATOM 2969 CA GLY 117 46. .010 -11, .025 -19, .604 1.00 30, .09 MOLB

ATOM 2970 C GLY 117 45, .661 -9, .687 -20, .245 1.00 29, .47 MOLB

ATOM 2971 O GLY 117 46, .521 -8. .834 -20, .407 1.00 27. .20 MOLB

ATOM 2972 N LΞU 118 44, .397 -9, .518 -20, .634 1.00 28. .04 MOLB

ATOM 2973 CA LΞU 118 43, .952 -8, .259 -21, .195 1.00 28, .86 MOLB

ATOM 2974 CB LΞU 118 42, .610 -8. .428 -21, .925 1.00 29, .29 MOLB

ATOM 2975 CG LΞU 118 42, .560 -9. .291 -23, .191 1.00 31, ,94 MOLB

ATOM 2976 CDl LΞU 118 41, .099 -9, .348 -23, .699 1.00 28, .65 MOLB

ATOM 2977 CD2 LΞU 118 43, .479 -8, .697 -24, .274 1.00 31, .23 MOLB

ATOM 2978 C LΞU 118 43, .768 -7. .255 -20, .058 1.00 27, .99 MOLB

ATOM 2979 O LΞU 118 43, .101 -7, .545 -19, .060 1.00 27. .58 MOLB

ATOM 2980 N ILΞ 119 44, .353 -6, .073 -20, .215 1.00 26, .51 MOLB

ATOM 2981 CA ILΞ 119 44, .237 -5. .022 -19, .213 1.00 25. .16 MOLB

ATOM 2982 CB ILΞ 119 45, .587 -4, .830 -18, .461 1.00 26. .53 MOLB

ATOM 2983 CG2 ILΞ 119 45, .454 -3, .751 -17, .386 1.00 26, .16 MOLB

ATOM 2984 CGI ILΞ 119 46, .020 -6, .174 -17, .831 1.00 27, .58 MOLB

ATOM 2985 CDl ILE 119 47, .203 -6, .071 -16 .892 1.00 32, .03 MOLB

ATOM 2986 C ILΞ 119 43, .859 -3, .733 -19, .932 1.00 25, .47 MOLB

ATOM 2987 O ILE 119 44, .467 -3, .375 -20, .952 1.00 25, .65 MOLB

ATOM 2988 N PHE 120 42, .849 -3, .035 -19. .426 1.00 24. .64 MOLB

ATOM 2989 CA PHΞ 120 42, .423 -1, .773 -20, .043 1.00 25, .06 MOLB ATOM 2990 CB PHΞ 120 40.,883 -1..709 -20..190 1.00 26,.89 MOLB

ATOM 2991 CG PHΞ 120 40, .263 -2, .930 -20. .836 1.00 28, .65 MOLB

ATOM 2992 CDl PHΞ 120 40, .992 -3, .718 -21, .724 1.00 26, .43 MOLB

ATOM 2993 CD2 PHΞ 120 38, .926 -3, .271 -20, .570 1.00 28, .84 MOLB

ATOM 2994 CE1 PHΞ 120 40, .409 -4, .829 -22, .340 1.00 29, .39 MOLB

ATOM 2995 CE2 PHΞ 120 38, .340 -4, .390 -21, .188 1.00 31, .02 MOLB

ATOM 2996 CZ PHΞ 120 39, .079 -5, .163 -22, .069 1.00 31, .29 MOLB

ATOM 2997 C PHΞ 120 42, .848 -0, .577 -19. .188 1.00 26, .42 MOLB

ATOM 2998 O PHΞ 120 42. .631 -0, .569 -17. .968 1.00 22. .79 MOLB

ATOM 2999 N ALA 121 43. .461 0, .417 -19. .829 1.00 23, .99 MOLB

ATOM 3000 CA ALA 121 43. .866 1, .645 -19. .175 1.00 23, .49 MOLB

ATOM 3001 CB ALA 121 44. .884 2, .389 -20. .022 1.00 23, .64 MOLB

ATOM 3002 C ALA 121 42. .593 2, .502 -18. .988 1.00 25. .79 MOLB

ATOM 3003 O ALA 121 41, .541 2. .192 -19. .535 1.00 24, .88 MOLB

ATOM 3004 N ASN 122 42. .694 3, .592 -18. .237 1.00 27, .12 MOLB

ATOM 3005 CA ASN 122 41. .505 4, .380 -17. .918 1.00 27, .41 MOLB

ATOM 3006 CB ASN 122 40. .854 3, .738 -16. .666 1.00 27, .85 MOLB

ATOM 3007 CG ASN 122 39. .624 4, .492 -16. .146 1.00 32, .18 MOLB

ATOM 3008 OD1 ASN 122 39. ,349 5, .635 -16. .530 1.00 33, .98 MOLB

ATOM 3009 ND2 ASN 122 38. ,889 3, .847 -15. .231 1.00 33, .55 MOLB

ATOM 3010 C ASN 122 41. .821 5, .823 -17. .626 1.00 28, .47 MOLB

ATOM 3011 O ASN 122 42, .622 6. .097 -16. .717 1.00 29, .60 MOLB

ATOM 3012 N LΞU 123 41, .246 6, .734 -18, .413 1.00 26. .39 MOLB

ATOM 3013 CA LΞU 123 41, .386 8, .186 -18. .176 1.00 28, .43 MOLB

ATOM 3014 CB LΞU 123 42, .457 8. .825 -19, .069 1.00 28, .08 MOLB

ATOM 3015 CG LΞU 123 43, .934 8. .434 -18. .858 1.00 30, .01 MOLB

ATOM 3016 CDl LΞU 123 44, .777 9. .098 -19, .973 1.00 30, .20 MOLB

ATOM 3017 CD2 LΞU 123 44, .415 8. .880 -17, .468 1.00 26, .35 MOLB

ATOM 3018 C LΞU 123 40, .049 8, .868 -18, .480 1.00 31, .38 MOLB

ATOM 3019 O LΞU 123 39, .168 8. .276 -19, .101 1.00 30. .92 MOLB

ATOM 3020 N GLY 124 39, .910 10, .117 -18, .041 1.00 31, .17 MOLB

ATOM 3021 CA GLY 124 38. .698 10. .876 -18, .290 1.00 32, .38 MOLB

ATOM 3022 C GLY 124 38. .764 11. .565 -19. .642 1.00 33, .73 MOLB

ATOM 3023 O GLY 124 39. .840 11, , 618 -20. • 3 1.00 32, ,73 MOLB

ATOM 3024 N SΞR 125 37. .634 12, .105 -20. .108 1.00 36, .50 MOLB

ATOM 3025 CA SΞR 125 37. .589 12, .762 -21. .420 1.00 36, .99 MOLB

ATOM 3026 CB SΞR 125 36. .138 13, .012 -21. .860 1.00 40. .03 MOLB

ATOM 3027 OG SΞR 125 35, .446 13, .826 -20, .938 1.00 40. .25 MOLB

ATOM 3028 C SΞR 125 38. .389 14, .063 -21, .530 1.00 37. .00 MOLB

ATOM 3029 O SΞR 125 38, .542 14, .605 -22, .624 1.00 36, .44 MOLB

ATOM 3030 N GLU 126 38. ,898 14, .557 -20, .407 1.00 37. .21 MOLB

ATOM 3031 CA GLU 126 39. .713 15, .770 -20, .416 1.00 39, .15 MOLB

ATOM 3032 CB GLU 126 39, .709 16, .419 -19, .026 1.00 43, .64 MOLB

ATOM 3033 CG GLU 126 40, .421 15, .585 -17, .944 1.00 49, .62 MOLB

ATOM 3034 CD GLU 126 39, .572 14, .468 -17, .310 1.00 51. .86 MOLB

ATOM 3035 OΞ1 GLU 126 38. .474 14, .135 -17, .824 1.00 52, .73 MOLB

ATOM 3036 OΞ2 GLU 126 40, .023 13, .915 -16, .276 1.00 52, .37 MOLB

ATOM 3037 C GLU 126 41. .156 15, .407 -20, .804 1.00 39, .35 MOLB

ATOM 3038 O GLU 126 41, .989 16, .276 -21, .075 1.00 38, .83 MOLB

ATOM 3039 N ALA 127 41, .457 14, .114 -20, .829 ^■ 1.00 35, .70 MOLB

ATOM 3040 CA ALA 127 42, .798 13, .666 -21, .174 1.00 36, .09 MOLB

ATOM 3041 CB ALA 127 42, .887 12, .152 -21. .056 1.00 33. .76 MOLB

ATOM 3042 C ALA 127 43, .238 14, .086 -22. .566 1.00 35, .72 MOLB

ATOM 3043 O ALA 127 42, .423 14, .192 -23. ,480 1.00 36. .69 MOLB

ATOM 3044 N THR 128 44. .541 14, .316 -22. ,718 1.00 36. .74 MOLB ATOM 3045 CA THR 128 45.112 14.671 -24.010 1.00 35.16 MOLB

ATOM 3046 CB THR 128 46.301 15.653 -23.864 1. 00 36.76 MOLB

ATOM 3047 OGl THR 128 47.364 15.002 -23.149 1.00 33.62 MOLB

ATOM 3048 CG2 THR 128 45.887 16.907 -23.117 1.00 37.41 MOLB

ATOM 3049 C THR 128 45.681 13.384 -24.610 1.00 34.64 MOLB

ATOM 3050 O THR 128 45.774 12.361 -23.928 1.00 32.42 MOLB

ATOM 3051 N ALA 129 46.094 13.443 -25.872 1.00 33.08 MOLB

ATOM 3052 CA ALA 129 46.688 12.275 -26.523 1.00 32.93 MOLB

ATOM 3053 CB ALA 129 46.951 12.568 -28.005 1.00 32.86 MOLB

ATOM 3054 C ALA 129 47.993 11.838 -25.836 1.00 32.35 MOLB

ATOM 3055 O ALA 129 48.286 10.643 -25.749 1.00 30.36 MOLB

ATOM 3056 N ALA 130 48.786 12.797 -25.362 1.00 31.76 MOLB

ATOM 3057 CA ALA 130 50.048 12.459 -24.688 1.00 32.44 MOLB

ATOM 3058 CB ALA 130 50.861 13.733 -24.361 1.00 30.24 MOLB

ATOM 3059 C ALA 130 49.760 11.692 -23.393 1.00 30.20 MOLB

ATOM 3060 O ALA 130 50.419 10.701 -23.078 1.00 29.95 MOLB

ATOM 3061 N GLN 131 48.789 12.177 -22.638 1.00 31.03 MOLB

ATOM 3062 CA GLN 131 48.418 11.528 -21.382 1.00 31.36 MOLB

ATOM 3063 CB GLN 131 47.390 12.380 -20.650 1.00 32.11 MOLB

ATOM 3064 CG GLN 131 48.001 13.672 -20.063 1.00 34.93 MOLB

ATOM 3065 CD GLN 131 46.962 14.573 -19.416 1.00 39.67 MOLB

ATOM 3066 OΞ1 GLN 131 47.229 15.225 -18.403 1. 00 43.24 MOLB

ATOM 3067 NΞ2 GLN 131 45.777 14.625 -20.003 1.00 35.70 MOLB

ATOM 3068 C GLN 131 47.877 10.128 -21.653 1.00 30.76 MOLB

ATOM 3069 O GLN 131 48.158 9.202 -20.896 1.00 29.51 MOLB

ATOM 3070 N ALA 132 47.110 9.984 -22.737 1.00 29.90 MOLB

ATOM 3071 CA ALA 132 46.543 8.687 -23.126 1.00 27.67 MOLB

ATOM 3072 CB ALA 132 45.655 8.850 -24.369 1.00 28.01 MOLB

ATOM 3073 C ALA 132 47.672 7.696 -23.422 1.00 28.24 MOLB

ATOM 3074 O ALA 132 47.643 6.560 -22.960 1.00 26.03 MOLB

ATOM 3075 N LYS 133 48.669 8.118 -24.199 1.00 27.59 MOLB

ATOM 3076 CA LYS 133 49.780 7.223 -24.493 1.00 31.25 MOLB

ATOM 3077 CB LYS 133 50.758 7.862 -25.499 1.00 32.97 MOLB

ATOM 3078 CG LYS 133 50.090 8.138 -26.841 1.00 45.31 MOLB

ATOM 3079 CD LYS 133 51.021 8.765 -27.876 00 48.76 MOLB

ATOM 3080 CΞ LYS 133 52.056 7.763 -28.341 00 54.18 MOLB

ATOM 3081 NZ LYS 133 52.940 8.338 -29.407 00 57.79 MOLB

ATOM 3082 C LYS 133 50.521 6.849 -23.214 00 28.59 MOLB

ATOM 3083 O LYS 133 50.927 5. .706 -23.042 00 28.41 MOLB

ATOM 3084 N GLU 134 50.692 7, .802 -22.309 00 28.81 MOLB

ATOM 3085 CA GLU 134 51.405 7, .496 -21.076 00 31.04 MOLB

ATOM 3086 CB GLU 134 51.669 8.786 -20.297 00 35.31 MOLB

ATOM 3087 CG GLU 134 52.702 8.615 -19.210 00 47.67 MOLB

ATOM 3088 CD GLU 134 53.074 9.925 -18.532 00 53.46 MOLB

ATOM 3089 OΞ1 GLU 134 53.701 9.859 -17.448 00 56.22 MOLB

ATOM 3090 OΞ2 GLU 134 52.750 11.006 -19.083 00 53.55 MOLB

ATOM 3091 C GLU 134 50.626 6, 487 -20.198 1.00 30.33 MOLB

ATOM 3092 O GLU 134 51.222 5.600 -19.589 00 28.90 MOLB

ATOM 3093 N ALA 135 49.302 6.623 -20.154 00 26.64 MOLB

ATOM 3094 CA ALA 135 48.468 5, 722 -19.367 00 26.29 MOLB

ATOM 3095 CB ALA 135 47.012 6, 210 -19.383 00 26.39 MOLB

ATOM 3096 C ALA 135 48.558 4.313 -19.943 00 27.33 MOLB

ATOM 3097 O ALA 135 48.625 3, 309 -19.205 00 24.33 MOLB

ATOM 3098 N VAL 136 48.522 4.224 -21.268 1.00 25.22 MOLB

ATOM 3099 CA VAL 136 48.623 2.919 -21.914 1.00 26.80 MOLB ATOM 3100 CB VAL 136 48.441 3.035 -23.463 1.00 27.30 MOLB

ATOM 3101 CGI VAL 136 48.890 1.752 -24.154 1.00 23.68 MOLB

ATOM 3102 CG2 VAL 136 46.949 3.293 -23.782 1.00 25.29 MOLB

ATOM 3103 C VAL 136 49.982 2.304 -21.604 1.00 27.69 MOLB

ATOM 3104 O VAL 136 50.084 1.145 -21.218 1.00 28.42 MOLB

ATOM 3105 N GLU 137 51.040 3.086 -21.774 1.00 28.78 MOLB

ATOM 3106 CA GLU 137 52.383 2.574 -21.521 1.00 30.02 MOLB

ATOM 3107 CB GLU 137 53.420 3.621 -21.949 1.00 32.76 MOLB

ATOM 3108 CG GLU 137 53.406 3.867 -23.451 1.00 42.19 MOLB

ATOM 3109 CD GLU 137 54.436 4.896 -23.913 1.00 48.77 MOLB

ATOM 3110 OΞ1 GLU 137 54.460 5.205 -25.129 1.00 49.90 MOLB

ATOM 3111 OΞ2 GLU 137 55.214 5.386 -23.067 1.00 52.00 MOLB

ATOM 3112 C GLU 137 52.607 2.178 -20.069 1.00 29.73 MOLB

ATOM 3113 O GLU 137 53.329 1.228 -19.788 1.00 30.19 MOLB

ATOM 3114 N MΞT 138 51.985 2.903 -19.142 1.00 29.55 MOLB

ATOM 3115 CA MΞT 138 52.155 2.608 -17.707 1.00 29.44 MOLB

ATOM 3116 CB MΞT 138 51.234 3.517 -16.882 1.00 29.66 MOLB

ATOM 3117 CG MΞT 138 51.418 3.418 -15.358 1.00 28.51 MOLB

ATOM 3118 SD MΞT 138 50.206 4.423 -14.493 1.00 29.95 MOLB

ATOM 3119 CΞ MΞT 138 50.586 6.099 -15.036 1.00 29.08 MOLB

ATOM 3120 C MΞT 138 51.860 1.155 -17.361 1.00 30.84 MOLB

ATOM 3121 O MΞT 138 52.511 0.567 -16.505 1.00 30.96 MOLB

ATOM 3122 N ILΞ 139 50.869 0.573 -18.036 1.00 28.22 MOLB

ATOM 3123 CA ILΞ 139 50.476 -0.789 -17.736 1.00 28.08 MOLB

ATOM 3124 CB ILΞ 139 49.029 -0.812 -17.109 1.00 27.99 MOLB

ATOM 3125 CG2 ILΞ 139 49.000 0.064 -15.874 1.00 29.77 MOLB

ATOM 3126 CGI ILΞ 139 47.990 -0.295 -18.112 1.00 27.79 MOLB

ATOM 3127 CDl ILΞ 139 46.508 -0.169 -17.546 1.00 25.68 MOLB

ATOM 3128 C ILΞ 139 50.506 -1.725 -18.933 1.00 27.28 MOLB

ATOM 3129 O ILΞ 139 49.935 -2.810 -18.862 1.00 28.00 MOLB

ATOM 3130 N GLY 140 51.167 -1.324 -20.023 1.00 26.37 MOLB

ATOM 3131 CA GLY 140 51.194 -2.180 -21.212 1.00 25.10 MOLB

ATOM 3132 C GLY 140 49.765 -2.560 -21.605 1.00 24.48 MOLB

ATOM 3133 O GLY 140 49.466 -3.709 -21.909 1.00 u3 • J J MOLB

ATOM 3134 N ALA 141 48.873 -1.573 -21.615 1.00 22.66 MOLB

ATOM 3135 CA ALA 141 47.468 -1.817 -21.895 1.00 24.00 MOLB

ATOM 3136 CB ALA 141 46.659 -0.508 -21.648 1.00 23.20 MOLB

ATOM 3137 C ALA 141 47.166 -2.343 -23.290 1.00 27.01 MOLB

ATOM 3138 O ALA 141 47.868 -2.008 -24.254 1.00 25.60 MOLB

ATOM 3139 N ASN 142 46.118 -3.171 -23.369 1.00 25.12 MOLB

ATOM 3140 CA ASN 142 45.627 -3.741 -24.621 1.00 26.30 MOLB

ATOM 3141 CB ASN 142 45.107 -5.165 -24.395 1.00 24.07 MOLB

ATOM 3142 CG ASN 142 46.138 -6.039 -23.723 1.00 29.64 MOLB

ATOM 3143 OD1 ASN 142 46.152 -6.168 -22.500 1.00 27.22 MOLB

ATOM 3144 ND2 ASN 142 47.047 -6.600 -24.519 1.00 30.69 MOLB

ATOM 3145 C ASN 142 44.500 -2.867 -25.182 1.00 26.36 MOLB

ATOM 3146 O ASN 142 44.120 -3.013 -26.342 1.00 25.90 MOLB

ATOM 3147 N ALA 143 43.948 -1.993 -24.349 1.00 24.61 MOLB

ATOM 3148 CA ALA 143 42.888 -1.068 -24.790 1.00 25.46 MOLB

ATOM 3149 CB ALA 143 41.508 -1.765 -24.843 1.00 24.07 MOLB

ATOM 3150 C ALA 143 42.843 0.080 -23.795 1.00 26.17 MOLB

ATOM 3151 O ALA 143 43.370 -0.026 -22.676 1.00 26.43 MOLB

ATOM 3152 N LΞU 144 42.245 1.190 -24.214 1.00 23.54 MOLB

ATOM 3153 CA LEU 144 42.114 2.337 -23.347 1.00 25.11 MOLB

ATOM 3154 CB LEU 144 42.954 3.489 -23.880 1.00 24.40 MOLB ATOM 3155 CG LΞU 144 42.663 4..908 -23.,371 1.00 28..31 MOLB

ATOM 3156 CDl LΞU 144 43.085 5. ,030 -21. ,883 1.00 26. ,76 MOLB

ATOM 3157 CD2 LΞU 144 43.454 5. .926 -24. .222 1.00 25. ,99 MOLB

ATOM 3158 C LΞU 144 40.666 2. .817 -23. .213 1.00 26. ,78 MOLB

ATOM 3159 O LΞU 144 39.983 3. .088 -24. .215 1.00 24. ,52 MOLB

ATOM 3160 N GLN 145 40.217 2. .947 -21. .968 1.00 25. ,93 MOLB

ATOM 3161 CA GLN 145 38.894 3. .468 -21. .683 1.00 26. ,87 MOLB

ATOM 3162 CB GLN 145 38.306 2. .830 -20. .415 1.00 27. ,32 MOLB

ATOM 3163 CG GLN 145 38.009 1. .354 -20. .466 1.00 30. ,02 MOLB

ATOM 3164 CD GLN 145 37.366 0. .868 -19. .142 1.00 37. ,01 MOLB

ATOM 3165 OΞ1 GLN 145 36.558 -0. .065 -19. .130 1.00 40. ,17 MOLB

ATOM 3166 NΞ2 GLN 145 37.739 1. .504 -18. .029 1.00 37. ,22 MOLB

ATOM 3167 C GLN 145 38.975 4. .975 -21. .439 1.00 26. ,63 MOLB

ATOM 3168 O GLN 145 39.851 5, .461 -20. .706 1.00 26. ,40 MOLB

ATOM 3169 N ILΞ 146 38.073 5. .722 -22, .058 1.00 25. .90 MOLB

ATOM 3170 CA ILΞ 146 37.995 7, .175 -21, .841 1.00 25, ,89 MOLB

ATOM 3171 CB ILΞ 146 38.139 7, .992 -23, .163 1.00 26, ,51 MOLB

ATOM 3172 CG2 ILΞ 146 37.852 9. .471 -22, .887 1.00 26, .35 MOLB

ATOM 3173 CGI ILΞ 146 39.575 7, .860 -23, .732 1.00 28, .49 MOLB

ATOM 3174 CDl ILΞ 146 40.679 8. .372 -22, .765 1.00 28, .25 MOLB

ATOM 3175 C ILΞ 146 36.572 7, .355 -21, .300 1.00 28, .95 MOLB

ATOM 3176 O ILΞ 146 35.604 7, .020 -21. .981 1.00 26, .76 MOLB

ATOM 3177 N HIS 147 36.448 7, .874 -20, .081 1.00 29, .64 MOLB

ATOM 3178 CA HIS 147 35.144 8. .043 -19, .436 1.00 32, .12 MOLB

ATOM 3179 CB HIS 147 35.260 7, .858 -17, .916 1.00 34, .51 MOLB

ATOM 3180 CG HIS 147 35.606 6, .469 -17, .489 1.00 41, .04 MOLB

ATOM 3181 CD2 HIS 147 36.261 5, .468 -18, .127 1.00 44, .53 MOLB

ATOM 3182 NDl HIS 147 35.278 5, .978 -16, .245 1.00 44, .62 MOLB

ATOM 3183 CΞl HIS 147 35.712 4, .735 -16. .133 1.00 43, .31 MOLB

ATOM 3184 NΞ2 HIS 147 36.312 4, .401 -17. .260 1.00 43, .91 MOLB

ATOM 3185 C HIS 147 34.509 9, .394 -19, .672 1.00 32, .76 MOLB

ATOM 3186 O HIS 147 35.189 10, .423 -19, .629 1.00 32, .78 MOLB

ATOM 3187 N LΞU 148 33.201 9, .378 -19. .906 1.00 31, .76 MOLB

ATOM 31oo CA Σ-HITJ 148 32.415 10, .595 -20, .116 1.00 34, .55 MOLB

ATOM 3189 CB LΞU 148 31.623 10, .530 -21. .426 1.00 32, .71 MOLB

ATOM 3190 CG LΞU 148 32.307 10, .473 -22, .792 1.00 32, ,57 MOLB

ATOM 3191 CDl LΞU 148 31.247 10, .225 -23. .860 1.00 34, .49 MOLB

ATOM 3192 CD2 LΞU 148 33.061 11, .762 -23, .068 1.00 35, .56 MOLB

ATOM 3193 C LΞU 148 31.402 10, .674 -18, .973 1.00 39, .96 MOLB

ATOM 3194 O LΞU 148 30.681 9, .705 -18, .704 1.00 40. .50 MOLB

ATOM 3195 N ASN 149 31.335 11, .808 -18, .292 1.00 42, .44 MOLB

ATOM 3196 CA ASN 149 30.359 11, .948 -17, .219 1.00 47, .47 MOLB

ATOM 3197 CB ASN 149 30.916 11 .419 -15, .898 1.00 51. .95 MOLB

ATOM 3198 CG ASN 149 29.816 10 .957 -14, .940 1.00 57, .43 MOLB

ATOM 3199 OD1 ASN 149 28.623 11 .286 -15, .105 1.00 57, .56 MOLB

ATOM 3200 ND2 ASN 149 30.215 10 .196 -13, .926 1.00 60, .74 MOLB

ATOM 3201 C ASN 149 29.996 13 .406 -17, .060 1.00 48, .43 MOLB

ATOM 3202 O ASN 149 30.240 13 .998 -16, .012 1.00 48, .11 MOLB

ATOM 3203 N VAL 150 29.414 13 .979 -18, .110 1.00 49, .58 MOLB

ATOM 3204 CA VAL 150 29.020 15 .380 -18, .099 1.00 51, .05 MOLB

ATOM 3205 CB VAL 150 28.304 15 .753 -19, .421 1.00 51, .37 MOLB

ATOM 3206 CGI VAL 150 27.686 17 .139 -19 .314 1.00 49, .46 MOLB

ATOM 3207 CG2 VAL 150 29.304 15 .724 -20 .574 1.00 51, .89 MOLB

ATOM 3208 C VAL 150 28.124 15 .772 -16 .920 1.00 53, .24 MOLB

ATOM 3209 O VAL 150 28.435 16 .709 -16 .178 1.00 52 .54 MOLB ATOM 3210 N ILΞ 151 27..019 15.,052 -16..745 1.00 55..14 MOLB

ATOM 3211 CA ILΞ 151 26. ,068 15. .359 -15. .681 1.00 58. .66 MOLB

ATOM 3212 CB ILΞ 151 24. .854 14. ,414 -15. .747 1.00 58. .86 MOLB

ATOM 3213 CG2 ILΞ 151 23. .917 14. ,666 -14. .562 1.00 60. .08 MOLB

ATOM 3214 CGI ILΞ 151 24. .108 14. ,655 -17. .065 1.00 58. .51 MOLB

ATOM 3215 CDl ILΞ 151 23, .055 13. ,636 -17. .358 1.00 60. .49 MOLB

ATOM 3216 C ILΞ 151 26. .652 15. ,338 -14. .271 1.00 60. .56 MOLB

ATOM 3217 O ILΞ 151 26. .392 16. ,238 -13. .474 1.00 61. .64 MOLB

ATOM 3218 N GLN 152 27, .433 14. ,313 -13. .959 1.00 62. .47 MOLB

ATOM 3219 CA GLN 152 28. .038 14. ,220 -12. .640 1.00 64. .51 MOLB

ATOM 3220 CB GLN 152 28. .732 12. ,869 -12. .473 1.00 66. .30 MOLB

ATOM 3221 CG GLN 152 27. .751 11. .706 -12. .343 1.00 71. .05 MOLB

ATOM 3222 CD GLN 152 26, .771 11. .897 -11. .191 1.00 73, .41 MOLB

ATOM 3223 OΞ1 GLN 152 25. .934 12. .808 -11. .209 1.00 75. .60 MOLB

ATOM 3224 NΞ2 GLN 152 26. .877 11. .041 -10. .177 1.00 74. .34 MOLB

ATOM 3225 C GLN 152 29, .027 15. .356 -12. .396 1.00 63. .85 MOLB

ATOM 3226 O GLN 152 29, .176 15. .820 -11, .268 1.00 64. .85 MOLB

ATOM 3227 N GLU 153 29, .692 15. .808 -13. .454 1.00 63, .18 MOLB

ATOM 3228 CA GLU 153 30, .653 16. .894 -13. .341 1.00 63, .50 MOLB

ATOM 3229 CB GLU 153 31. .579 16. .912 -14. .556 1.00 64. .70 MOLB

ATOM 3230 CG GLU 153 32, .433 15. .661 -14. .688 1.00 69. .25 MOLB

ATOM 3231 CD GLU 153 33, .039 15. .505 -16. .073 1.00 72. .54 MOLB

ATOM 3232 OE1 GLU 153 33, .607 14, .420 -16. .359 1.00 73, .81 MOLB

ATOM 3233 OΞ2 GLU 153 32, .947 16, .465 -16. .878 1.00 73, .25 MOLB

ATOM 3234 C GLU 153 29, .968 18. .247 -13. .221 1.00 63, .41 MOLB

ATOM 3235 O GLU 153 30, .508 19, .163 -12, .597 1.00 64. .64 MOLB

ATOM 3236 N ILΞ 154 28, .781 18. .375 -13, .813 1.00 61, .82 MOLB

ATOM 3237 CA ILΞ 154 28. .046 19, .640 -13, .782 1.00 59, .86 MOLB

ATOM 3238 CB ILΞ 154 26, .932 19, .677 -14, .872 1.00 61, .25 MOLB

ATOM 3239 CG2 ILΞ 154 25, .640 19, .075 -14, .350 1.00 59, .51 MOLB

ATOM 3240 CGI ILΞ 154 26, .674 21, .123 -15. .294 1.00 61, .84 MOLB

ATOM 3241 CDl ILΞ 154 27, .904 21, .842 -15. .800 1.00 63. .07 MOLB

ATOM 3242 C ILΞ 154 27, .453 19, .901 -12, .397 1.00 57, .62 MOLB

ATOM 3243 O ILE 154 27, .317 21, .057 -11. .988 1.00 59. .77 MOLB

ATOM 3244 N VAL 155 27, .105 18, .814 -11. .703 1.00 61, .68 MOLB

ATOM 3245 CA VAL 155 26, .570 18, .836 -10, .332 1.00 58, .84 MOLB

ATOM 3246 CB VAL 155 25, .999 17. .439 -9. .922 1.00 56, .68 MOLB

ATOM 3247 CGI VAL 155 25, .913 17, .331 -8, .415 1.00 56, .20 MOLB

ATOM 3248 CG2 VAL 155 24, .618 17, .226 -10, .535 1.00 56, .96 MOLB

ATOM 3249 C VAL 155 27, .728 19, .175 -9. .366 1.00 59, .77 MOLB

ATOM 3250 O VAL 155 27, .704 20, .210 -8, .688 1.00 59, .93 MOLB

ATOM 3251 N MΞT 156 28, .732 18, .299 -9, .306 1.00 60. .15 MOLB

ATOM 3252 CA MΞT 156 29 .890 18, .526 -8, .442 1.00 60, .96 MOLB

ATOM 3253 CB MΞT 156 30, .996 17, .509 -8, .739 1.00 62, .19 MOLB

ATOM 3254 CG MΞT 156 30, .616 16, .065 -8, .484 1.00 67, .10 MOLB

ATOM 3255 SD MΞT 156 32 .029 14, .951 -8, .709 1.00 72, .03 MOLB

ATOM 3256 CΞ MΞT 156 32 .416 14, .546 -6, ,982 1.00 73, .82 MOLB

ATOM •3257 C MΞT 156 30 .444 19, .933 -8, .656 1.00 61 .39 MOLB

ATOM 3258 O MΞT 156 30 .984 20, .251 -9, .727 1.00 62, .32 MOLB

ATOM 3259 N ARG 161 31, .577 21, .678 -15, .067 1.00 46, .51 MOLB

ATOM 3260 CA ARG 161 31 .464 22, .669 -16, .137 1.00 44, .70 MOLB

ATOM 3261 CB ARG 161 31, .513 24, .078 -15, .553 0.00 33, .64 MOLB

ATOM 3262 CG ARG 161 30 .329 24, .377 -14, .647 0.00 23 .37 MOLB

ATOM 3263 CD ARG 161 30 .338 25, .815 -14, .169 0.00 14, .28 MOLB

ATOM 3264 NΞ ARG 161 29, .159 26, .139 -13. .369 0.00 7, .53 MOLB ATOM 3265 CZ ARG 161 28.886 25.606 -12.182 0.00 4.61 MOLB

ATOM 3266 NH1 ARG 161 27.787 25.964 -11.532 0.00 3.36 MOLB

ATOM 3267 NH2 ARG 161 29.711 24.719 -11.641 0.00 3.36 MOLB

ATOM 3268 C ARG 161 32.557 22.480 -17.196 1.00 50.57 MOLB

ATOM 3269 O ARG 161 33.585 21.833 -16.924 1.00 54.36 MOLB

ATOM 3270 N SΞR 162 32.331 23.022 -18.402 1.00 53.30 MOLB

ATOM 3271 CA SΞR 162 33.297 22.908 -19.508 1.00 55.35 MOLB

ATOM 3272 CB SΞR 162 34.732 23.166 -19.009 1.00 58.36 MOLB

ATOM 3273 OG SΞR 162 35.691 22.513 -19.856 1.00 60.65 MOLB

ATOM 3274 C SΞR 162 33.266 21.540 -20.173 1.00 55.17 MOLB

ATOM 3275 O SΞR 162 33.958 20.615 -19.721 1.00 58.41 MOLB

ATOM 3276 N PHΞ 163 32.510 21.411 -21.267 1.00 54.91 MOLB

ATOM 3277 CA PHΞ 163 32.403 20.118 -21.960 1.00 49.20 MOLB

ATOM 3278 CB PHΞ 163 30.966 19.608 -21.852 1.00 49.28 MOLB

ATOM 3279 CG PHΞ 163 30.461 19.550 -20.436 1.00 50.13 MOLB

ATOM 3280 CDl PHΞ 163 29.378 20.339 -20.029 1.00 50.33 MOLB

ATOM 3281 CD2 PHΞ 163 31.077 18.707 -19.502 1.00 51.34 MOLB

ATOM 3282 CΞl PHΞ 163 28.915 20.295 -18.707 1.00 49.65 MOLB

ATOM 3283 CΞ2 PHΞ 163 30.626 18.652 -18.175 1.00 50.52 MOLB

ATOM 3284 CZ PHΞ 163 29.539 19.447 -17.781 1.00 52.63 MOLB

ATOM 3285 C PHE 163 32.805 20.230 -23.423 1.00 48.37 MOLB

ATOM 3286 O PHΞ 163 32.807 19.244 -24.176 1.00 44.50 MOLB

ATOM 3287 N SΞR 164 33.139 21.447 -23.824 1.00 41.58 MOLB

ATOM 3288 CA SΞR 164 33.542 21.693 -25.187 1.00 42.53 MOLB

ATOM ^• 3289 CB SΞR 164 33.756 23.199 -25.402 1.00 46.06 MOLB

ATOM 3290 OG SΞR 164 34.015 23.466 -26.773 1.00 52.57 MOLB

ATOM 3291 C SΞR 164 34.844 20.934 -25.467 1.00 41.10 MOLB

ATOM 3292 O SΞR 164 35.714 20.825 -24.599 1.00 40.08 MOLB

ATOM 3293 N GLY 165 34.955 20.390 -26.670 1.00 38.99 MOLB

ATOM 3294 CA GLY 165 36.164 19.685 -27.049 1.00 36.66 MOLB

ATOM 3295 C GLY 165 36.286 18.219 -26.663 1.00 34.52 MOLB

ATOM 3296 O GLY 165 37.281 17.581 -27.025 1.00 31.19 MOLB

ATOM 3297 N ALA 166 35.306 17.667 -25.948 1.00 30.14 MOLB

ATOM 3298 CA ALA 166 35.397 16. 59 -25 • 556 1.00 29.06 MOLB

ATOM 3299 CB ALA 166 34.170 15.859 -24.668 1.00 30.49 MOLB

ATOM 3300 C ALA 166 35.517 15.323 -26.755 1.00 27.65 MOLB

ATOM 3301 O ALA 166 36.374 14.435 -26.775 1.00 25.97 MOLB

ATOM 3302 N LΞU 167 34.676 15.515 -27.770 1.00 26.96 MOLB

ATOM 3303 CA LEU 167 34.752 14.658 -28.947 1.00 28.56 MOLB

ATOM 3304 CB LEU 167 33.573 14.956 -29.888 1.00 29.57 MOLB

ATOM 3305 CG LEU 167 33.507 14.058 -31.132 1.00 26.72 MOLB

ATOM 3306 CDl LΞU 167 33.465 12.581 -30.720 1.00 27.54 MOLB

ATOM 3307 CD2 LΞU 167 32.280 14.406 -31.977 1.00 29.92 MOLB

ATOM 3308 C LΞU 167 36.092 14.879 -29.686 1.00 28.23 MOLB

ATOM 3309 O LΞU 167 36.698 13.940 -30.210 1.00 27.17 MOLB

ATOM 3310 N LYS 168 36.526 16.131 -29.760 1.00 27.73 MOLB

ATOM 3311 CA LYS 168 37.814 16.449 -30.409 1.00 29.14 MOLB

ATOM 3312 CB LYS 168 38.095 17.956 -30.331 1.00 31.08 MOLB

ATOM 3313 CG LYS 168 39.542 18.380 -30.736 1.00 34.64 MOLB

ATOM 3314 CD LYS 168 39.719 19.922 -30.684 1.00 39.33 MOLB

ATOM 3315 CΞ LYS 168 41.127 20.359 -31.130 1.00 45.22 MOLB

ATOM 3316 NZ LYS 168 41.317 21.861 -31.335 1.00 51.51 MOLB

ATOM 3317 C LYS 168 38.951 15.705 -29.713 1.00 27.46 MOLB

ATOM 3318 O LYS 168 39.815 15.137 -30.363 1.00 28.33 MOLB

ATOM 3319 N ARG 169 38.952 15.731 -28.386 1.00 27.22 MOLB ATOM 3320 CA ARG 169 40.004 15.051 -27.615 1.00 28.98 MOLB

ATOM 3321 CB ARG 169 39.828 15.348 -26.117 1.00 29.14 MOLB

ATOM 3322 CG ARG 169 40.971 16.147 -25.528 1.00 37.01 MOLB

ATOM 3323 CD ARG 169 40.579 17.302 -24.653 1.00 36.53 MOLB

ATOM 3324 NΞ ARG 169 39.420 17.085 -23.778 1.00 40.36 MOLB

ATOM 3325 CZ ARG 169 38.498 18.027 -23.577 1.00 41.65 MOLB

ATOM 3326 NH1 ARG 169 37.461 17.810 -22.786 1.00 42.92 MOLB

ATOM 3327 NH2 ARG 169 38.617 19.194 -24.201 1.00 41.15 MOLB

ATOM 3328 C ARG 169 39.973 13.548 -27.869 1.00 27.00 MOLB

ATOM 3329 O ARG 169 41.012 12.905 -28.037 1.00 24.81 MOLB

ATOM 3330 N ILΞ 170 38.773 12.982 -27.923 1.00 25.46 MOLB

ATOM 3331 CA ILΞ 170 38.646 11.549 -28.172 1.00 27.41 MOLB

ATOM 3332 CB ILE 170 37.146 11.092 -28.013 1.00 27.10 MOLB

ATOM 3333 CG2 ILΞ 170 36.946 9.688 -28.585 1.00 25.11 MOLB

ATOM 3334 CGI ILΞ 170 36.771 11.183 -26.526 1.00 26.58 MOLB

ATOM 3335 CDl ILΞ 170 35.275 11.035 -26.247 1.00 29.42 MOLB

ATOM 3336 C ILΞ 170 39.150 11.258 -29.573 1.00 27.67 MOLB

ATOM 3337 O ILΞ 170 39.869 10.267 -29.819 1.00 25.42 MOLB

ATOM 3338 N GLU 171 38.790 12.127 -30.509 1.00 25.64 MOLB

ATOM 3339 CA GLU 171 39.271 11.927 -31.878 00 27.71 MOLB

ATOM 3340 CB GLU 171 38.620 12.980 -32.791 00 32.28 MOLB

ATOM 3341 CG GLU 171 38.949 12.810 -34.261 ,00 42.48 MOLB

ATOM 3342 CD GLU 171 38.023 13.623 -35.138 ,00 49.21 MOLB

ATOM 3343 OΞ1 GLU 171 37.468 14.643 -34.622 00 49.87 MOLB

ATOM 3344 OΞ2 GLU 171 37.858 13.240 -36.330 00 51.46 MOLB

ATOM 3345 C GLU 171 40.827 12.011 -31.911 ,00 26.78 MOLB

ATOM 3346 O GLU 171 41.478 11.195 -32.558 ,00 25.44 MOLB

ATOM 3347 N GLN 172 41.421 12.964 -31.198 1.00 25.96 MOLB

ATOM 3348 CA GLN 172 42.886 13.059 -31.189 1.00 27.57 MOLB

ATOM 3349 CB GLN 172 43.332 14.311 -30.435 1.00 29.56 MOLB

ATOM 3350 CG GLN 172 42.879 15.601 -31.142 1.00 29.92 MOLB

ATOM 3351 CD GLN 172 43.069 16.845 -30.306 1.00 36.00 MOLB

ATOM 3352 OΞ1 GLN 172 43.100 16.787 -29.081 1.00 35.97 MOLB

ATOM 3353 NΞ2 GLN 172 43.162 17.995 -30.970 1.00 37.25 MOLB

ATOM 3354 C GLN 172 43.504 11.814 -30.555 1.00 29.73 MOLB

ATOM 3355 O GLN 172 44.554 11.324 -30.991 1.00 28.08 MOLB

ATOM 3356 N ILΞ 173 42.871 11.324 -29.497 1.00 28.12 MOLB

ATOM 3357 CA ILE 173 43.356 10.112 -28.810 1.00 29.44 MOLB

ATOM 3358 CB ILΞ 173 42.569 9.865 -27.475 1.00 29.23 MOLB

ATOM 3359 CG2 ILΞ 173 42.815 8.419 -26.945 1.00 26.56 MOLB

ATOM 3360 CGI ILE 173 42.987 10.923 -26.462 1.00 29.01 MOLB

ATOM 3361 CDl ILΞ 173 42.030 11.089 -25.255 1.00 28.73 MOLB

ATOM 3362 C ILE 173 43.282 8.868 -29.689 1.00 27.39 MOLB

ATOM 3363 O ILE 173 44.273 8.136 -29.803 1.00 27.11 MOLB

ATOM 3364 N CYS 174 42.141 8.614 -30.328 1. 00 27.45 MOLB

ATOM 3365 CA CYS 174 42.050 7.417 -31.158 1.00 27.55 MOLB

ATOM 3366 CB CYS 174 40.648 .259 -31.754 1, 00 27.73 MOLB

ATOM 3367 SG CYS 174 39.335 .067 -30.493 1, 00 28.54 MOLB

ATOM 3368 C CYS 174 43.065 .345 -32.280 1.00 31.13 MOLB

ATOM 3369 O CYS 174 43.517 .258 -32.629 1.00 29.18 MOLB

ATOM 3370 N SER 175 43.419 8.481 -32.875 1.00 30.87 MOLB

ATOM 3371 CA SΞR 175 44.371 8.398 -33.981 1.00 32.52 MOLB

ATOM 3372 CB SΞR 175 44.173 9.584 -34.942 1.00 32.01 MOLB

ATOM 3373 OG SΞR 175 44.434 10.792 -34.268 1.00 34.81 MOLB

ATOM 3374 C SER 175 45.830 8.347 -33.518 1.00 32.32 MOLB ATOM 3375 O SΞR 175 46.725 8.084 -34.316 1.00 35.99 MOLB

ATOM 3376 N ARG 176 46.074 8.585 -32.237 1.00 30.60 MOLB

ATOM 3377 CA ARG 176 47.443 8.588 -31.741 1.00 32.94 MOLB

ATOM 3378 CB ARG 176 47.726 9.943 -31.100 1.00 33.75 MOLB

ATOM 3379 CG ARG 176 47.771 11.051 -32.186 1.00 35.76 MOLB

ATOM 3380 CD ARG 176 47.681 12.464 -31.638 1.00 37.46 MOLB

ATOM 3381 NΞ ARG 176 47.772 13.470 -32.711 1.00 40.51 MOLB

ATOM 3382 CZ ARG 176 46.811 13.731 -33.598 1.00 42.66 MOLB

ATOM 3383 NH1 ARG 176 46.988 14.654 -34.537 1.00 41.92 MOLB

ATOM 3384 NH2 ARG 176 45.659 13.085 -33.542 1.00 42.63 MOLB

ATOM 3385 C ARG 176 47.866 7.445 -30.810 1.00 34.84 MOLB

ATOM 3386 O ARG 176 49.069 7.207 -30.637 1.00 32.52 MOLB

ATOM 3387 N VAL 177 46.916 6.737 -30.198 1.00 31.21 MOLB

ATOM 3388 CA VAL 177 47.335 5.625 -29.343 1.00 32.42 MOLB

ATOM 3389 CB VAL 177 46.373 5.394 -28.117 1.00 30.39 MOLB

ATOM 3390 CGI VAL 177 46.423 6.599 -27.195 1.00 29.35 MOLB

ATOM 3391 CG2 VAL 177 44.959 5.146 -28.570 1.00 28.77 MOLB

ATOM 3392 C VAL 177 47.413 4.392 -30.215 1.00 34.07 MOLB

ATOM 3393 O VAL 177 46.800 4.318 -31.276 1.00 36.21 MOLB

ATOM 3394 N SΞR 178 48.153 3.400 -29.771 1.00 37.11 MOLB

ATOM 3395 CA SΞR 178 48.306 2.215 -30.590 1.00 38.81 MOLB

ATOM 3396 CB SΞR 178 49.757 1.743 -30.493 1.00 41.93 MOLB

ATOM 3397 OG SΞR 178 50.034 1.410 -29.135 1.00 48.19 MOLB

ATOM 3398 C SΞR 178 47.376 1.076 -30.205 1.00 37.25 MOLB

ATOM 3399 O SΞR 178 47.614 -0.062 -30.608 1.00 38.40 MOLB

ATOM 3400 N VAL 179 46.336 1.366 -29.422 1.00 30.22 MOLB

ATOM 3401 CA VAL 179 45.390 0.332 -28.991 1.00 27.99 MOLB

ATOM 3402 CB VAL 179 45.551 -0.013 -27.458 1.00 25.75 MOLB

ATOM 3403 CGI VAL 179 46.958 -0.592 -27.177 1.00 28.10 MOLB

ATOM 3404 CG2 VAL 179 45.289 1.236 -26.613 1.00 26.58 MOLB

ATOM 3405 C VAL 179 43.944 0.799 -29.182 1.00 26.38 MOLB

ATOM 3406 O VAL 179 43.688 1.991 -29.391 1.00 27.90 MOLB

ATOM 3407 N PRO 180 42.992 -0.138 -29.138 1.00 27.26 MOLB

ATOM 3408 CD PRO 180 43.151 -1.604 -29.214 1.00 28.32 MOLB

ATOM 3409 CA PRO 180 41.591 0.265 -29.293 1.00 27.86 MOLB

ATOM 3410 CB PRO 180 40.831 -1.060 -29.380 1.00 28.96 MOLB

ATOM 3411 CG PRO 180 41.808 -2.102 -28.791 1.00 31.28 MOLB

ATOM 3412 C PRO 180 41.124 1.121 -28.123 1.00 26.75 MOLB

ATOM 3413 O PRO 180 41.543 0.927 -26.967 1.00 26.59 MOLB

ATOM 3414 N VAL 181 40.248 2.068 -28.415 1.00 24.84 MOLB

ATOM 3415 CA VAL 181 39.737 2.968 -27.385 1.00 23.85 MOLB

ATOM 3416 CB VAL 181 39.880 4.451 -27.858 1.00 23.35 MOLB

ATOM 3417 CGI VAL 181 39.121 5.384 -26.911 1.00 25.13 MOLB

ATOM 3418 CG2 VAL 181 41.395 4.863 -27.873 1.00 23.92 MOLB

ATOM 3419 C VAL 181 38.255 2.603 -27.132 1.00 25.84 MOLB

ATOM 3420 O VAL 181 37.486 2.388 -28.064 1.00 24.60 MOLB

ATOM 3421 N ILΞ 182 37.900 2.511 -25.861 1.00 21.98 MOLB

ATOM 3422 CA ILΞ 182 36.551 2.184 -25.436 1.00 24.60 MOLB

ATOM 3423 CB ILΞ 182 36.576 1.044 -24.388 1.00 23.97 MOLB

ATOM 3424 CG2 ILΞ 182 35.141 0.707 -23.912 1.00 24.43 MOLB

ATOM 3425 CGI ILΞ 182 37.199 -0.200 -24.999 1.00 25.90 MOLB

ATOM 3426 CDl ILΞ 182 37.524 -1.296 -23.947 1.00 27.67 MOLB

ATOM 3427 C ILΞ 182 36.035 3.450 -24.771 1.00 24.19 MOLB

ATOM 3428 O ILΞ 182 36.634 3.927 -23.824 1.00 25.39 MOLB

ATOM 3429 N VAL 183 34.963 4.038 -25.279 1.00 24.03 MOLB ATOM 3430 CA VAL 183 34.470 5.247 -24.642 1.00 22.60 MOLB

ATOM 3431 CB VAL 183 34.052 6.284 -25.692 1.00 23.67 MOLB

ATOM 3432 CGI VAL 183 33.495 7.537 -24.998 1.00 24.36 MOLB

ATOM 3433 CG2 VAL 183 35.316 6.690 -26.522 1.00 21.90 MOLB

ATOM 3434 C VAL 183 33.319 4.811 -23.749 1.00 25.55 MOLB

ATOM 3435 O VAL 183 32.363 4.161 -24.204 1.00 25.37 MOLB

ATOM 3436 N LYS 184 33.426 5.166 -22.472 1.00 26.15 MOLB

ATOM 3437 CA LYS 184 32.450 4.761 -21.464 1.00 26.64 MOLB

ATOM 3438 CB LYS 184 33.195 4.101 -20.297 1.00 28.15 MOLB

ATOM 3439 CG LYS 184 32.281 3.752 -19.095 1.00 30.98 MOLB

ATOM 3440 CD LYS 184 33.015 2.873 -18.099 1.00 35.11 MOLB

ATOM 3441 CΞ LYS 184 32.078 2.425 -16.963 1.00 39.00 MOLB

ATOM 3442 NZ LYS 184 32.787 1.455 -16.106 1.00 38.47 MOLB

ATOM 3443 C LYS 184 31.598 5.907 -20.942 1.00 27.16 MOLB

ATOM 3444 O LYS 184 32.114 6.972 -20.611 1.00 27.40 MOLB

ATOM 3445 N GLU 185 30.283 5.694 -20.908 1.00 27.53 MOLB

ATOM 3446 CA GLU 185 29.358 6.678 -20.376 1.00 31.33 MOLB

ATOM 3447 CB GLU 185 28.058 6.729 -21.199 1.00 33.00 MOLB

ATOM 3448 CG GLU 185 26.849 7.350 -20.482 1.00 37.43 MOLB

ATOM 3449 CD GLU 185 27.010 8.833 -20.122 1.00 38.72 MOLB

ATOM 3450 OΞ1 GLU 185 27.319 9.659 -21.024 1.00 34.50 MOLB

ATOM 3451 OΞ2 GLU 185 26.780 9.175 -18.927 1.00 42.12 MOLB

ATOM 3452 C GLU 185 29.068 6.196 -18.960 1.00 33.27 MOLB

ATOM 3453 O GLU 185 28.624 5.066 -18.757 1.00 32.27 MOLB

ATOM 3454 N VAL 186 29.329 7.053 -17.987 1.00 36.21 MOLB

ATOM 3455 CA VAL 186 29.118 6.716 -16.584 1.00 41.04 MOLB

ATOM 3456 CB VAL 186 30.163 7.474 -15.697 1.00 43.42 MOLB

ATOM 3457 CGI VAL 186 30.065 7.023 -14.236 1.00 43.99 MOLB

ATOM 3458 CG2 VAL 186 31.572 7.241 -16.237 1.00 43.73 MOLB

ATOM 3459 C VAL 186 27.700 7.096 -16.121 1.00 41.87 MOLB

ATOM 3460 O VAL 186 27.357 8.276 -16.050 1.00 43.99 MOLB

ATOM 3461 N GLY 187 26.861 6.103 -15.869 1.00 44.17 MOLB

ATOM 3462 CA GLY 187 25.523 6.377 -15.356 1.00 43.55 MOLB

ATOM 3463 C GLY 187 24.282 6_*822 -16.118 1.00 43.15 MOLB

ATOM 3464 O GLY 187 23.196 6.417 -15.706 1.00 45.66 MOLB

ATOM 3465 N PHΞ 188 24.361 7.626 -17.183 1.00 36.57 MOLB

ATOM 3466 CA PHΞ 188 23.101 8.013 -17.823 1.00 33.45 MOLB

ATOM 3467 CB PHΞ 188 22.997 9.538 -17.921 1.00 34.39 MOLB

ATOM 3468 CG PHE 188 22.988 10.213 -16.584 1.00 38.95 MOLB

ATOM 3469 CDl PHE 188 24.164 10.716 -16.042 1.00 43.49 MOLB

ATOM 3470 CD2 PHE 188 21.823 10.259 -15.823 1.00 40.58 MOLB

ATOM 3471 CΞl PHΞ 188 24.185 11.254 -14.749 1.00 45.52 MOLB

ATOM 3472 CΞ2 PHΞ 188 21.832 10.795 -14.529 1.00 43.91 MOLB

ATOM 3473 CZ PHΞ 188 23.022 11.293 -13.995 1.00 43.97 MOLB

ATOM 3474 C PHΞ 188 22.750 7.394 -19.157 1.00 29.79 MOLB

ATOM 3475 O PHΞ 188 21.839 7.878 -19.849 1.00 29.31 MOLB

ATOM 3476 N GLY 189 23.442 6.313 -19.500 1.00 27.99 MOLB

ATOM 3477 CA GLY 189 23.200 5.640 -20.764 1.00 28.41 MOLB

ATOM 3478 C GLY 189 23.754 6.370 -21.981 1.00 28.39 MOLB

ATOM 3479 O GLY 189 24.338 7.458 -21.886 1.00 30.24 MOLB

ATOM 3480 N MΞT 190 23.562 5.771 -23.147 1.00 27.03 MOLB

ATOM 3481 CA MΞT 190 24.071 6.349 -24.367 1.00 28.07 MOLB

ATOM 3482 CB MΞT 190 25.464 5.758 -24.698 1.00 27.54 MOLB

ATOM 3483 CG MΞT 190 26.109 6.374 -25.952 1.00 26.92 MOLB

ATOM 3484 SD MΞT 190 27.721 5.576 -26.372 1.00 28.91 MOLB ATOM 3485 CΞ MΞT 190 28.735 6.036 -24.901 1.00 22.26 MOLB

ATOM 3486 C MΞT 190 23.118 6.108 -25.517 1.00 28.18 MOLB

ATOM 3487 O MΞT 190 22.632 4.987 -25.726 1.00 27.31 MOLB

ATOM 3488 N SΞR 191 22.855 7.184 -26.255 1.00 28.43 MOLB

ATOM 3489 CA SΞR 191 21.964 7.156 -27.417 1.00 27.62 MOLB

ATOM 3490 CB SΞR 191 21.433 8.565 -27.713 1.00 28.00 MOLB

ATOM 3491 OG SΞR 191 22.450 9.382 -28.299 1.00 27.27 MOLB

ATOM 3492 C SΞR 191 22.695 6.649 -28.630 1.00 28.37 MOLB

ATOM 3493 O SΞR 191 23.922 6.631 -28.678 1.00 29.28 MOLB

ATOM 3494 N LYS 192 21.937 6.253 -29.636 1.00 28.43 MOLB

ATOM 3495 CA LYS 192 22.539 5.769 -30.852 1.00 29.57 MOLB

ATOM 3496 CB LYS 192 21.475 5.131 -31.768 1.00 30.63 MOLB

ATOM 3497 CG LYS 192 20.263 6.012 -32.067 1.00 34.40 MOLB

ATOM 3498 CD LYS 192 19.126 5.185 -32.687 1.00 40.87 MOLB

ATOM 3499 CE LYS 192 17.795 5.968 -32.736 1.00 45.69 MOLB

ATOM 3500 NZ LYS 192 17.786 7.021 -33.818 1.00 49.89 MOLB

ATOM 3501 C LYS 192 23.273 6.916 -31.556 1.00 30.14 MOLB

ATOM 3502 O LYS 192 24.272 6.682 -32.225 1.00 28.91 MOLB

ATOM 3503 N ALA 193 22.793 8.153 -31.417 1.00 28.47 MOLB

ATOM 3504 CA ALA 193 23.495 9.274 -32.058 1.00 29.59 MOLB

ATOM 3505 CB ALA 193 22.664 10.572 -31.970 1.00 30.51 MOLB

ATOM 3506 C ALA 193 24.869 9.489 -31.411 1.00 28.86 MOLB

ATOM 3507 O ALA 193 25.857 9.754 -32.105 1.00 29.26 MOLB

ATOM 3508 N SΞR 194 24.941 9.380 -30.086 1.00 28.51 MOLB

ATOM 3509 CA SΞR 194 26.220 9.550 -29.390 1.00 29.38 MOLB

ATOM 3510 CB SΞR 194 26.018 9.508 -27.878 1.00 28.70 MOLB

ATOM 3511 OG SΞR 194 25.261 10.623 -27.450 1.00 31.40 MOLB

ATOM 3512 C SΞR 194 27.189 8.455 -29.788 1.00 30.12 MOLB

ATOM 3513 O SΞR 194 28.383 8.712 -30.053 1.00 27.83 MOLB

ATOM 3514 N ALA 195 26.691 7.222 -29.835 1.00 26.99 MOLB

ATOM 3515 CA ALA 195 27.551 6.097 -30.214 1.00 28.40 MOLB

ATOM 3516 CB ALA 195 26.745 4.768 -30.112 1.00 27.22 MOLB

ATOM 3517 C ALA 195 28.090 6.291 -31.635 1.00 28.57 MOLB

ATOM 3518 O ALA 195 29.255 6.022 -31.908 1.00 28.16 MOLB

ATOM 3519 N GLY 196 27.235 6.768 -32.545 1.00 28.02 MOLB

ATOM 3520 CA GLY 196 27.676 7.007 -33.915 1.00 28.19 MOLB

ATOM 3521 C GLY 196 28.805 8.037 -34.019 1.00 28.50 MOLB

ATOM 3522 O GLY 196 29.734 7.874 -34.815 1.00 28.73 MOLB

ATOM 3523 N LYS 197 28.714 9.097 -33.223 1.00 28.49 MOLB

ATOM 3524 CA LYS 197 29.741 10.136 -33.202 1.00 30.88 MOLB

ATOM 3525 CB LYS 197 29.331 11.300 -32.291 1.00 34.19 MOLB

ATOM 3526 CG LYS 197 28.246 12.174 -32.860 1.00 39.25 MOLB

ATOM 3527 CD LYS 197 27.962 13.362 -31.956 1.00 42.21 MOLB

ATOM 3528 CE LYS 197 26.908 14.254 -32.615 1.00 48.71 MOLB

ATOM 3529 NZ LYS 197 26.634 15.468 -31.830 1.00 50.29 MOLB

ATOM 3530 C LYS 197 31.043 9.542 -32.675 1.00 29.49 MOLB

ATOM 3531 O LYS 197 32.112 9.835 -33.201 1.00 28.40 MOLB

ATOM 3532 N LΞU 198 30.951 8.699 -31.647 1.00 28.22 MOLB

ATOM 3533 CA LΞU 198 32.148 8.072 -31.073 1.00 26.54 MOLB

ATOM 3534 CB LΞU 198 31.795 7.399 -29.733 1.00 24.17 MOLB

ATOM 3535 CG LΞU 198 31.349 8.410 -28.671 1.00 25.38 MOLB

ATOM 3536 CDl LΞU 198 30.714 7.723 -27.448 1.00 25.45 MOLB

ATOM 3537 CD2 LΞU 198 32.575 9.242 -28.262 1.00 25.31 MOLB

ATOM 3538 C LΞU 198 32.800 7.076 -32.047 1.00 28.34 MOLB

ATOM 3539 O LΞU 198 34.023 7.090 -32.228 1.00 26.65 MOLB ATOM 3540 N TYR 199 32.010 6.198 -32.667 1.00 27.24 MOLB

ATOM 3541 CA TYR 199 32.572 5.259 -33.636 1.00 27.70 MOLB

ATOM 3542 CB TYR 199 31.503 4.302 -34.186 1.00 27.56 MOLB

ATOM 3543 CG TYR 199 30.959 3.306 -33.176 1.00 29.21 MOLB

ATOM 3544 CDl TYR 199 29.582 3.073 -33.078 1.00 26.01 MOLB

ATOM 3545 CΞl TYR 199 29.074 2.112 -32.209 1.00 27.14 MOLB

ATOM 3546 CD2 TYR 199 31.816 2.554 -32.367 1.00 29.09 MOLB

ATOM 3547 CΞ2 TYR 199 31.318 1.588 -31.489 1.00 27.63 MOLB

ATOM 3548 CZ TYR 199 29.942 1.372 -31.418 1.00 31.20 MOLB

ATOM 3549 OH TYR 199 29.426 0.412 -30.556 1.00 26.90 MOLB

ATOM 3550 C TYR 199 33.173 6.032 -34.814 1.00 29.01 MOLB

ATOM 3551 O TYR 199 34.228 5.662 -35.332 1.00 30.25 MOLB

ATOM 3552 N GLU 200 32.488 7.089 -35.245 1.00 31.50 MOLB

ATOM 3553 CA GLU 200 32.967 7.893 -36.365 1.00 33.66 MOLB

ATOM 3554 CB GLU 200 31.917 8.947 -36.730 1.00 38.33 MOLB

ATOM 3555 CG GLU 200 31.832 9.231 -38.225 1.00 49.51 MOLB

ATOM 3556 CD GLU 200 33.026 9.981 -38.723 1.00 53.25 MOLB

ATOM 3557 OΞ1 GLU 200 33.341 11.020 -38.105 1.00 60.38 MOLB

ATOM 3558 OΞ2 GLU 200 33.659 9.557 -39.720 1.00 56.30 MOLB

ATOM 3559 C GLU 200 34.309 8.556 -35.999 1.00 33.18 MOLB

ATOM 3560 O GLU 200 35.195 8.682 -36.850 1.00 34.70 MOLB

ATOM 3561 N ALA 201 34.454 8.946 -34.734 1.00 30.77 MOLB

ATOM 3562 CA ALA 201 35.679 9.576 -34.241 1.00 32.58 MOLB

ATOM 3563 CB ALA 201 35.421 10.252 -32.892 1.00 29.70 MOLB

ATOM 3564 C ALA 201 36.842 8.588 -34.111 1.00 32.77 MOLB

ATOM 3565 O ALA 201 37.997 8_*99 -33.954 1.00 35.31 MOLB

ATOM 3566 N GLY 202 36.555 7.292 -34.151 1.00 30.10 MOLB

ATOM 3567 CA GLY 202 37.637 6.330 -34.049 1.00 29.54 MOLB

ATOM 3568 C GLY 202 37.564 5.355 -32.895 1.00 29.29 MOLB

ATOM 3569 O GLY 202 38.443 4.501 -32.772 1.00 27.26 MOLB

ATOM 3570 N ALA 203 36.534 5.476 -32.047 1.00 26.65 MOLB

ATOM 3571 CA ALA 203 36.379 4.551 -30.928 1.00 27.62 MOLB

ATOM 3572 CB ALA 203 35.210 4.985 -30.024 1.00 24.75 MOLB

ATOM 3573 C ALA 203 36.140 3.132 -31.419 1.00 27.19 MOLB

ATOM 3574 O ALA 203 35.370 2.900 -32.362 1.00 25.96 MOLB

ATOM 3575 N ALA 204 36.783 2.169 -30.771 1.00 25.52 MOLB

ATOM 3576 CA ALA 204 36.608 0.776 -31.138 1.00 26.77 MOLB

ATOM 3577 CB ALA 204 37.841 -0.033 -30.724 1.00 26.24 MOLB

ATOM 3578 C ALA 204 35.349 0.183 -30.462 1.00 26.81 MOLB

ATOM 3579 O ALA 204 34.768 -0.788 -30.945 1.00 27.46 MOLB

ATOM 3580 N ALA 205 34.923 0.783 -29.362 1.00 25.38 MOLB

ATOM 3581 CA ALA 205 33.769 0.264 -28.657 1.00 26.69 MOLB

ATOM 3582 CB ALA 205 34.178 -0.950 -27.803 1.00 24.55 MOLB

ATOM 3583 C ALA 205 33.202 1.319 -27.749 1.00 26.19 MOLB

ATOM 3584 O ALA 205 33.885 2.294 -27.429 1.00 23.94 MOLB

ATOM 3585 N VAL 206 31.945 1.134 -27.351 1.00 24.31 MOLB

ATOM 3586 CA VAL 206 31.355 2.025 -26.362 1.00 25.23 MOLB

ATOM 3587 CB VAL 206 30.118 2.824 -26.886 1.00 26.68 MOLB

ATOM 3588 CGI VAL 206 30.564 3.768 -28.027 1.00 24.59 MOLB

ATOM 3589 CG2 VAL 206 28.995 1.879 -27.360 1.00 24.54 MOLB

ATOM 3590 C VAL 206 30.978 1.122 -25.186 1.00 27.14 MOLB

ATOM 3591 O VAL 206 30.644 -0.043 -25.371 1.00 26.42 MOLB

ATOM 3592 N ASP 207 31.047 1.673 -23.980 1.00 27.38 MOLB

ATOM 3593 CA ASP 207 30.776 0.943 -22.753 1.00 30.05 MOLB

ATOM 3594 CB ASP 207 32.092 0.892 -21.936 1.00 28.04 MOLB ATOM 3595 CG ASP 207 31.955 0.209 -20.584 1.00 30.33 MOLB

ATOM 3596 OD1 ASP 207 32.996 -0.181 -20.034 1.00 29.41 MOLB

ATOM 3597 OD2 ASP 207 30.838 0.081 -20.048 1.00 30.29 MOLB

ATOM 3598 C ASP 207 29.638 1.672 -22.031 1.00 32.02 MOLB

ATOM 3599 O ASP 207 29.761 2.847 -21.662 1.00 30.48 MOLB

ATOM 3600 N ILΞ 208 28.507 0.984 -21.888 1.00 31.10 MOLB

ATOM 3601 CA ILΞ 208 27.313 1.548 -21.250 1.00 35.27 MOLB

ATOM 3602 CB ILΞ 208 26.007 0.873 -21.802 1.00 37.07 MOLB

ATOM 3603 CG2 ILΞ 208 24.783 1.545 -21.205 1.00 36.40 MOLB

ATOM 3604 CGI ILΞ 208 25.982 0.919 -23.332 1.00 38.26 MOLB

ATOM 3605 CDl ILΞ 208 26.383 2.256 -23.920 1.00 40.64 MOLB

ATOM 3606 C ILΞ 208 27.422 1.255 -19.762 1.00 37.83 MOLB

ATOM 3607 O ILΞ 208 27.108 0.147 -19.325 1.00 34.89 MOLB

ATOM 3608 N GLY 209 27.891 2.247 -19.003 1.00 41.75 MOLB

ATOM 3609 CA GLY 209 28.091 2.095 -17.572 1.00 47.79 MOLB

ATOM 3610 C GLY 209 26.801 2.151 -16.782 1.00 52.50 MOLB

ATOM 3611 O GLY 209 26.815 2.045 -15.550 1.00 53.86 MOLB

ATOM 3612 N GLY 210 25.690 2.306 -17.501 1.00 54.72 MOLB

ATOM 3613 CA GLY 210 24.390 2.382 -16.867 1.00 58.17 MOLB

ATOM 3614 C GLY 210 24.317 3.504 -15.852 1.00 60.27 MOLB

ATOM 3615 O GLY 210 23.869 3.299 -14.720 1.00 63.23 MOLB

ATOM 3616 N ARG 226 18.514 19.975 -4.900 1.00 69.37 MOLB

ATOM 3617 CA ARG 226 18.865 21.182 -5.641 1.00 69.34 MOLB

ATOM 3618 CB ARG 226 20.188 21.744 -5.110 0.00 69.22 MOLB

ATOM 3619 CG ARG 226 21.301 20.713 -4.995 0.00 69.25 MOLB

ATOM 3620 CD ARG 226 22.548 21.318 -4.369 0.00 69.46 MOLB

ATOM 3621 NΞ ARG 226 23.628 20.343 -4.234 0.00 69.84 MOLB

ATOM 3622 CZ ARG 226 24.813 20.612 -3.696 0.00 70.07 MOLB

ATOM 3623 NH1 ARG 226 25.738 19.665 -3.614 0.00 70.22 MOLB

ATOM 3624 NH2 ARG 226 25.075 21.829 -3.238 0.00 70.26 MOLB

ATOM 3625 C ARG 226 18.965 20.908 -7.148 1.00 69.82 MOLB

ATOM 3626 O ARG 226 18.056 20.321 -7.752 1.00 70.51 MOLB

ATOM 3627 N GLN 227 20.068 21.337 -7.753 1.00 68.66 MOLB

ATOM 3628 CA GLN 227 0 • 89 21.132 -9.180 1.00 67.21 MOLB

ATOM 3629 CB GLN 227 21.538 21.899 -9.620 1.00 68.08 MOLB

ATOM 3630 CG GLN 227 21.407 23.404 -9.439 1.00 70.48 MOLB

ATOM 3631 CD GLN 227 22.745 24.118 -9.344 1.00 72.05 MOLB

ATOM 3632 OE1 GLN 227 22.802 25.353 -9.342 1.00 72.63 MOLB

ATOM 3633 NΞ2 GLN 227 23.829 23.347 -9.253 1.00 73.28 MOLB

ATOM 3634 C GLN 227 20.444 19.644 -9.500 1.00 65.91 MOLB

ATOM 3635 O GLN 227 20.308 19.225 -10.651 1.00 64.59 MOLB

ATOM 3636 N ILΞ 228 20.716 18.846 -8.474 1.00 64.26 MOLB

ATOM 3637 CA ILΞ 228 20.890 17.414 -8.672 1.00 63.37 MOLB

ATOM 3638 CB ILΞ 228 21.621 16.760 -7.480 1.00 64.06 MOLB

ATOM 3639 CG2 ILΞ 228 21.999 15,323 -7.832 1.00 64.02 MOLB

ATOM 3640 CGI ILΞ 228 22.880 17.561 -7.136 1.00 63.86 MOLB

ATOM 3641 CDl ILΞ 228 23.463 17.237 -5.769 1.00 63.27 MOLB

ATOM 3642 C ILΞ 228 19.545 16.718 -8.855 1.00 61.73 MOLB

ATOM 3643 O ILΞ 228 19.479 15.629 -9.427 1.00 62.24 MOLB

ATOM 3644 N SΞR 229 18.475 17.350 -8.376 1.00 59.38 MOLB

ATOM 3645 CA SΞR 229 17.137 16.775 -8.501 1.00 56.48 MOLB

ATOM 3646 CB SΞR 229 16.114 17.612 -7.731 1.00 58.63 MOLB

ATOM 3647 OG SΞR 229 15.830 18.814 -8.433 1.00 61.81 MOLB

ATOM 3648 C SΞR 229 16.707 16.713 -9.958 1.00 52.35 MOLB

ATOM 3649 O SΞR 229 15.874 15.886 -10.330 1.00 52.14 MOLB ATOM 3650 N PHΞ 230 17.261 17.603 ■10.775 1.00 48.87 MOLB

ATOM 3651 CA PHΞ 230 16.923 17.640 -12.196 1. 00 45.98 MOLB

ATOM 3652 CB PHΞ 230 17.686 18.774 -12.907 1.00 45.35 MOLB

ATOM 3653 CG PHΞ 230 17.347 20.157 ■12.390 1.00 46.50 MOLB

ATOM 3654 CDl PHΞ 230 18.288 21.189 -12.443 1.00 45.64 MOLB

ATOM 3655 CD2 PHΞ 230 16.089 20.429 -11.852 1.00 46.39 MOLB

ATOM 3656 CE1 PHΞ 230 17.980 22.472 -11.960 1.00 45.18 MOLB

ATOM 3657 CE2 PHΞ 230 15.777 21.709 -11.371 1.00 46.59 MOLB

ATOM 3658 CZ PHΞ 230 16.727 22.726 -11.426 1.00 45.28 MOLB

ATOM 3659 C PHΞ 230 17.267 16.312 -12.855 1.00 44.33 MOLB

ATOM 3660 O PHΞ 230 16.653 15.924 -13.839 1. 00 41.89 MOLB

ATOM 3661 N PHΞ 231 18.227 15.589 -12.300 1.00 43.37 MOLB

ATOM 3662 CA PHE 231 18.600 14.354 -12.947 1.00 44.87 MOLB

ATOM 3663 CB PHΞ 231 20.107 14.347 -13.165 1.00 44.39 MOLB

ATOM 3664 CG PHΞ 231 20.610 15.627 -13.763 1.00 47.39 MOLB

ATOM 3665 CDl PHΞ 231 21.180 16.598 -12.951 1.00 47.51 MOLB

ATOM 3666 CD2 PHΞ 231 20.394 15.925 -15.113 1.00 47.44 MOLB

ATOM 3667 CΞl PHΞ 231 21.518 17.840 -13.457 1.00 47.39 MOLB

ATOM 3668 CΞ2 PHE 231 20.729 17.181 -15.634 1.00 45.79 MOLB

ATOM 3669 CZ PHΞ 231 21.291 18.138 -14.802 1.00 47.06 MOLB

ATOM 3670 C PHΞ 231 18.124 13.073 -12.302 1.00 45.31 MOLB

ATOM 3671 O PHΞ 231 18.631 12.009 -12.620 1.00 42.87 MOLB

ATOM 3672 N ASN 232 17.132 13.169 -11.420 1.00 46.72 MOLB

ATOM 3673 CA ASN 232 16.586 11.982 -10.777 ,00 49.28 MOLB

ATOM 3674 CB ASN 232 15.483 12.354 -9.788 ,00 54.15 MOLB

ATOM 3675 CG ASN 232 16.007 13.057 -8.556 ,00 57.75 MOLB

ATOM 3676 OD1 ASN 232 17.199 12.993 -8.230 ,00 58.46 MOLB

ATOM 3677 ND2 ASN 232 15.104 13.723 -7.845 ,00 59.78 MOLB

ATOM 3678 C ASN 232 15.998 10.980 -11.779 ,00 49.35 MOLB

ATOM 3679 O ASN 232 16.166 9.776 -11.625 ,00 50.57 MOLB

ATOM 3680 N SΞR 233 15.284 11.462 -12.790 1.00 46.41 MOLB

ATOM 3681 CA SΞR 233 14.701 10.550 -13.767 1.00 45.65 MOLB

ATOM 3682 CB SΞR 233 13.181 10.745 -13.831 1.00 45.84 MOLB

ATOM JO OJ OG SΞR 233 12.615 10.624 -12.540 1.00 50.01 MOLB

ATOM 3684 C SΞR 233 15.317 10.795 -15.135 1.00 42.83 MOLB

ATOM 3685 O SΞR 233 14.653 10.675 -16.161 1. 00 43.39 MOLB

ATOM 3686 N TRP 234 16.604 11.129 -15.132 1.00 39.97 MOLB

ATOM 3687 CA TRP 234 17.338 11.441 -16.355 1.00 36.50 MOLB

ATOM 3688 CB TRP 234 18.350 12.543 -16.025 1.00 34.20 MOLB

ATOM 3689 CG TRP 234 19.010 13.171 -17.211 1.00 32.18 MOLB

ATOM 3690 CD2 TRP 234 18.668 14.423 -17.808 1.00 30.15 MOLB

ATOM 3691 CΞ2 TRP 234 19.534 14.613 -18.909 1.00 31.98 MOLB

ATOM 3692 CΞ3 TRP 234 17.704 15.413 -17.519 1.00 30.83 MOLB

ATOM 3693 CDl TRP 234 20.044 12.661 -17.947 1.00 32.65 MOLB

ATOM 3694 NΞ1 TRP 234 20.369 13.523 -18.971 1.00 30.60 MOLB

ATOM 3695^* CZ2 TRP 234 19.470 15.747 -19.728 1.00 31.00 MOLB

ATOM 3696 CZ3 TRP 234 17.644 16.544 -18.333 1.00 29.63 MOLB

ATOM 3697 CH2 TRP 234 18.519 16,697 -19.426 1.00 30.74 MOLB

ATOM 3698 C TRP 234 18.068 10.241 -16.958 1.00 35.43 MOLB

ATOM 3699 O TRP 234 18.514 9.346 -16.235 1.00 35.93 MOLB

ATOM 3700 N GLY 235 18.194 10.217 -18.279 1.00 33.23 MOLB

ATOM 3701 CA GLY 235 18.940 9.134 -18.883 1.00 33.57 MOLB

ATOM 3702 C GLY 235 18.228 8.037 -19.631 1.00 32.76 MOLB

ATOM 3703 O GLY 235 16.997 7.989 -19.720 1.00 31.51 MOLB

ATOM 3704 N ILΞ 236 19.055 7.157 -20.174 1.00 28.97 MOLB ATOM 3705 CA ILΞ 236 18.629 6.007 -20.951 1.00 29.45 MOLB

ATOM 3706 CB ILΞ 236 19.281 6.061 -22.351 1.00 29.86 MOLB

ATOM 3707 CG2 ILΞ 236 18.770 4.908 -23.239 1.00 29.79 MOLB

ATOM 3708 CGI ILΞ 236 18.981 7.436 -22.985 1.00 28.48 MOLB

ATOM 3709 CDl ILΞ 236 19.751 7.710 -24.267 1.00 28.07 MOLB

ATOM 3710 C ILΞ 236 19.151 4.803 -20.167 1.00 30.95 MOLB

ATOM 3711 0 ILΞ 236 20.322 4.781 -19.752 1.00 28.61 MOLB

ATOM 3712 N SΞR 237 18.294 3.813 -19.957 1.00 27.44 MOLB

ATOM 3713 CA SΞR 237 18.682 2.618 -19.203 1.00 28.13 MOLB

ATOM 3714 CB SΞR 237 17.454 1.711 -18.976 1.00 25.59 MOLB

ATOM 3715 OG SΞR 237 17.002 1.191 -20.228 1.00 26.64 MOLB

ATOM 3716 C SΞR 237 19.735 1.834 -19.996 1.00 25.82 MOLB

ATOM 3717 O SΞR 237 19.899 2.035 -21.203 1.00 24.51 MOLB

ATOM 3718 N THR 238 20.447 0.943 -19.319 1.00 26.33 MOLB

ATOM 3719 CA THR 238 21.431 0.101 -20.001 1.00 27.27 MOLB

ATOM 3720 CB THR 238 22.081 -0.876 -19.011 1.00 27.23 MOLB

ATOM 3721 OGl THR 238 22.783 -0.125 -18.023 1.00 27.88 MOLB

ATOM 3722 CG2 THR 238 23.067 -1.801 -19.716 1.00 28.67 MOLB

ATOM 3723 C THR 238 20.741 -0.713 -21.095 1.00 25.39 MOLB

ATOM 3724 O THR 238 21.217 -0.806 -22.226 1.00 25.25 MOLB

ATOM 3725 N ALA 239 19.608 -1.325 -20.755 1.00 25.49 MOLB

ATOM 3726 CA ALA 239 18.886 -2.151 -21.731 1.00 24.68 MOLB

ATOM 3727 CB ALA 239 17.643 -2.793 -21.041 1.00 26.30 MOLB

ATOM 3728 C ALA 239 18.469 -1.361 -22.988 1.00 25.46 MOLB

ATOM 3729 O ALA 239 18.674 -1.812 -24.132 1.00 23.26 MOLB

ATOM 3730 N ALA 240 17.883 -0.178 -22.802 1.00 25.05 MOLB

ATOM 3731 CA ALA 240 17.483 0.616 -23.970 1.00 25.08 MOLB

ATOM 3732 CB ALA 240 16.645 1.856 -23.522 1.00 25.05 MOLB

ATOM 3733 C ALA 240 18.691 1.084 -24.807 1.00 24.99 MOLB

ATOM 3734 O ALA 240 18.613 1.121 -26.038 1.00 24.69 MOLB

ATOM 3735 N SΞR 241 19.780 1.469 -24.137 1.00 26.44 MOLB

ATOM 3736 CA SΞR 241 20.995 1.935 -24.846 1.00 27.25 MOLB

ATOM 3737 CB SΞR 241 22.111 2.349 -23.864 1.00 26.43 MOLB

ATOM 3738 OG SΞR 241 21.677 3.320 -22.928 1.00 28.67 MOLB

ATOM 3739 C SΞR 241 21.540 0.821 -25.730 1.00 25.69 MOLB

ATOM 3740 O SΞR 241 21.829 1.038 -26.919 1.00 25.97 MOLB

ATOM 3741 N LΞU 242 21.714 -0.367 -25.145 1.00 24.73 MOLB

ATOM 3742 CA LΞU 242 22.222 -1.493 -25.936 1.00 26.31 MOLB

ATOM 3743 CB LΞU 242 22.308 -2.787 -25.087 1.00 23.53 MOLB

ATOM 3744 CG LΞU 242 23.359 -2.749 -23.961 1.00 25.24 MOLB

ATOM 3745 CDl LEU 242 23.100 -3.910 -22.971 1.00 27.48 MOLB

ATOM 3746 CD2 LEU 242 24.775 -2.816 -24.562 1.00 26.53 MOLB

ATOM 3747 C LEU 242 21.345 -1.740 -27.156 1.00 25.83 MOLB

ATOM 3748 O LΞU 242 21.863 -1.865 -28.271 1.00 25.26 MOLB

ATOM 3749 N ALA 243 20.020 -1.807 -26.960 1.00 26.09 MOLB

ATOM 3750 CA ALA 243 19.132 -2.066 -28.079 1.00 25.96 MOLB

ATOM 3751 CB ALA 243 17.672 -2.287 -27.580 1.00 23.67 MOLB

ATOM 3752 C ALA 243 19.178 -0.935 -29.121 1.00 26.88 MOLB

ATOM 3753 O ALA 243 19.224 -1.199 -30.316 1.00 27.69 MOLB

ATOM 3754 N GLU 244 19.160 0.316 -28.678 1.00 27.72 MOLB

ATOM 3755 CA GLU 244 19.220 1.458 -29.618 1.00 29.80 MOLB

ATOM 3756 CB GLU 244 19.253 2.789 -28.848 1.00 30.00 MOLB

ATOM 3757 CG GLU 244 18.008 3.595 -28.893 1.00 37.05 MOLB

ATOM 3758 CD GLU 244 18.186 4.977 -28.294 1.00 34.83 MOLB

ATOM 3759 OΞ1 GLU 244 19.186 5.666 -28.648 1.00 31.81 MOLB ATOM 3760 OΞ2 GLU 244 17.320 5.360 -27.475 1.00 32.21 MOLB

ATOM 3761 C GLU 244 20.481 1.443 -30.476 1.00 29.56 MOLB

ATOM 3762 O GLU 244 20.440 1.579 -31.706 1.00 29.45 MOLB

ATOM 3763 N ILΞ 245 21.616 1.309 -29.804 1.00 27.09 MOLB

ATOM 3764 CA ILΞ 245 22.908 1.339 -30.486 1.00 26.49 MOLB

ATOM 3765 CB ILΞ 245 24.065 1.387 -29.424 1.00 26.45 MOLB

ATOM 3766 CG2 ILΞ 245 25.447 1.305 -30.105 1.00 26.27 MOLB

ATOM 3767 CGI ILΞ 245 23.951 2.711 -28.655 1.00 24.19 MOLB

ATOM 3768 CDl ILΞ 245 24.771 2.803 -27.376 1.00 26.16 MOLB

ATOM 3769 C ILΞ 245 23.056 0.161 -31.450 1.00 28.70 MOLB

ATOM 3770 O ILΞ 245 23.488 0.328 -32.587 1.00 30.15 MOLB

ATOM 3771 N ARG 246 22.680 -1.023 -30.997 1.00 27.78 MOLB

ATOM 3772 CA ARG 246 22.758 -2.193 -31.846 1.00 31.26 MOLB

ATOM 3773 CB ARG 246 22.356 -3.426 -31.049 1.00 30.91 MOLB

ATOM 3774 CG ARG 246 22.585 -4.709 -31.788 1.00 35.57 MOLB

ATOM 3775 CD ARG 246 21.872 -5.800 -31.087 1.00 35.36 MOLB

ATOM 3776 NΞ ARG 246 22.450 -7.082 -31.444 1.00 40.13 MOLB

ATOM 3777 CZ ARG 246 22.126 -8.229 -30.862 1.00 39.27 MOLB

ATOM 3778 NH1 ARG 246 22.713 -9.338 -31.256 1.00 40.80 MOLB

ATOM 3779 NH2 ARG 246 21.222 -8.261 -29.888 1.00 35.55 MOLB

ATOM 3780 C ARG 246 21.871 -2.059 -33.099 1.00 31.73 MOLB

ATOM 3781 O ARG 246 22.240 -2.538 -34.173 1.00 31.58 MOLB

ATOM 3782 N SΞR 247 20.719 -1.395 -32.976 1.00 32.55 MOLB

ATOM 3783 CA SΞR 247 19.830 -1.231 -34.131 1.00 34.15 MOLB

ATOM 3784 CB SΞR 247 18.505 -0.572 -33.719 1.00 31.83 MOLB

ATOM 3785 OG SΞR 247 18.651 0.806 -33.441 1.00 37.44 MOLB

ATOM 3786 C SΞR 247 20.488 -0.429 -35.263 1.00 36.75 MOLB

ATOM 3787 O SΞR 247 20.227 -0.697 -36.433 1.00 34.88 MOLB

ATOM 3788 N GLU 248 21.344 0.536 -34.925 1.00 36.03 MOLB

ATOM 3789 CA GLU 248 22.030 1.339 -35.937 1.00 39.15 MOLB

ATOM 3790 CB GLU 248 22.200 2.792 -35.461 1.00 41.25 MOLB

ATOM 3791 CG GLU 248 20.908 3.539 -35.285 1.00 50.86 MOLB

ATOM 3792 CD GLU 248 20.323 4.010 -36.598 1.00 53.40 MOLB

ATOM 3793 OE1 GLU 248 19.115 4.299 ~ 3 Ό • Ό O 1.00 56_*30 MOLB

ATOM 3794 OΞ2 GLU 248 21.077 4.109 -37.593 1.00 57.90 MOLB

ATOM 3795 C GLU 248 23.402 0.805 -36.305 1.00 38.85 MOLB

ATOM 3796 O GLU 248 23.852 0.985 -37.427 1.00 40.52 MOLB

ATOM 3797 N PHΞ 249 24.079 0.168 -35.356 1.00 37.44 MOLB

ATOM 3798 CA PHΞ 249 25.429 -0.358 -35.599 1.00 38.31 MOLB

ATOM 3799 CB PHΞ 249 26.449 0.458 -34.787 1.00 37.67 MOLB

ATOM 3800 CG PHΞ 249 26.338 1.939 -35.011 1.00 36.96 MOLB

ATOM 3801 CDl PHΞ 249 25.585 2.733 -34.153 1.00 35.68 MOLB

ATOM 3802 CD2 PHΞ 249 26.894 2.524 -36.146 1.00 40.10 MOLB

ATOM 3803 CΞl PHΞ 249 25.374 4.091 -34.421 1.00 36.40 MOLB

ATOM 3804 CΞ2 PHE 249 26.688 3.886 -36.430 1.00 40.40 MOLB

ATOM 3805 CZ PHΞ 249 25.924 4.666 -35.564 1.00 38.58 MOLB

ATOM 3806 C PHE 249 25.452 -1.820 -35.174 1.00 37.91 MOLB

ATOM 3807 O PHΞ 249 26.021 -2.168 -34.151 1.00 35.07 MOLB

ATOM 3808 N PRO 250 24.837 -2.699 -35.978 1.00 39.25 MOLB

ATOM 3809 CD PRO 250 24.155 -2.393 -37.244 1.00 41.80 MOLB

ATOM 3810 CA PRO 250 24.763 -4.139 -35.682 1.00 41.16 MOLB

ATOM 3811 CB PRO 250 23.949 -4.701 -36.850 1.00 41.75 MOLB

ATOM 3812 CG PRO 250 23.148 -3.541 -37.320 1.00 46.23 MOLB

ATOM 3813 C PRO 250 26.092 -4.858 -35.561 1.00 40.19 MOLB

ATOM 3814 O PRO 250 26.192 -5.868 -34.877 1.00 41.27 MOLB ATOM 3815 N ALA 251 27.108 -4.341 -36.234 1.00 39.34 MOLB

ATOM 3816 CA ALA 251 28.412 -4.996 -36.219 1.00 41.85 MOLB

ATOM 3817 CB ALA 251 28.982 -5.024 -37.637 1.00 41.79 MOLB

ATOM 3818 C ALA 251 29.412 -4.335 -35.282 1.00 42.10 MOLB

ATOM 3819 O ALA 251 30.583 -4.720 -35.253 1.00 44.25 MOLB

ATOM 3820 N SΞR 252 28.960 -3.356 -34.506 1.00 37.91 MOLB

ATOM 3821 CA SΞR 252 29.884 -2.650 -33.630 1.00 35.87 MOLB

ATOM 3822 CB SΞR 252 29.530 -1.169 -33.616 1.00 34.64 MOLB

ATOM 3823 OG SΞR 252 29.775 -0.590 -34.892 1.00 37.36 MOLB

ATOM 3824 C SΞR 252 29.973 -3.194 -32.213 1.00 33.26 MOLB

ATOM 3825 O SΞR 252 29.027 -3.763 -31.677 1.00 33.67 MOLB

ATOM 3826 N THR 253 31.127 -3.000 -31.601 1.00 30.90 MOLB

ATOM 3827 CA THR 253 31.351 -3.500 -30.256 1.00 30.04 MOLB

ATOM 3828 CB THR 253 32.849 -3.632 -29.959 1.00 30.48 MOLB

ATOM 3829 OGl THR 253 33.460 -4.447 -30.964 1.00 34.47 MOLB

ATOM 3830 CG2 THR 253 33.060 -4.255 -28.608 1.00 31.87 MOLB

ATOM 3831 C THR 253 30.738 -2.642 -29.158 1.00 28.90 MOLB

ATOM 3832 O THR 253 30.993 -1.434 -29.070 1.00 28.03 MOLB

ATOM 3833 N MΞT 254 29.932 -3.285 -28.320 1.00 26.54 MOLB

ATOM 3834 CA MΞT 254 29.323 -2.609 -27.181 1.00 27.89 MOLB

ATOM 3835 CB MΞT 254 27.791 -2.559 -27.284 1.00 26.17 MOLB

ATOM 3836 CG MΞT 254 27.238 -1.958 -28.563 1.00 27.52 MOLB

ATOM 3837 SD MΞT 254 25.437 -1.801 -28.391 1.00 28.15 MOLB

ATOM 3838 CΞ MΞT 254 24.902 -3.573 -28.318 1.00 23.46 MOLB

ATOM 3839 C MΞT 254 29.679 -3.438 -25.955 1.00 27.19 MOLB

ATOM 3840 O MΞT 254 29.810 -4.666 -26.034 1.00 27.98 MOLB

ATOM 3841 N ILΞ 255 29.825 -2.750 -24.834 1.00 27.46 MOLB

ATOM 3842 CA ILΞ 255 30.137 -3.355 -23.552 1.00 27.79 MOLB

ATOM 3843 CB ILΞ 255 31.583 -2.947 -23.090 1.00 29.42 MOLB

ATOM 3844 CG2 ILΞ 255 31.772 -3.279 -21.620 1.00 31.55 MOLB

ATOM 3845 CGI ILΞ 255 32.634 -3.655 -23.947 1.00 31.40 MOLB

ATOM 3846 CDl ILΞ 255 34.078 -3.061 -23.746 1.00 33.21 MOLB

ATOM 3847 C ILΞ 255 29.126 -2.768 -22.570 1.00 26.85 MOLB

ATOM 3848 O ILE 255 -1.640 -22.755 1.00 27.86 MOLB

ATOM 3849 N ALA 256 28.734 -3.522 -21.541 1.00 27.04 MOLB

ATOM 3850 CA ALA 256 27.818 -2.997 -20.530 1.00 25.84 MOLB

ATOM 3851 CB ALA 256 26.474 -3.777 -20.527 1.00 28.80 MOLB

ATOM 3852 C ALA 256 28.535 -3.225 -19.210 1.00 28.82 MOLB

ATOM 3853 O ALA 256 29.089 -4.298 -18.993 1.00 28.52 MOLB

ATOM 3854 N SΞR 257 28.535 -2.238 -18.326 1.00 27.93 MOLB

ATOM 3855 CA SΞR 257 29.191 -2.416 -17.037 1.00 32.77 MOLB

ATOM 3856 CB SΞR 257 30.664 -1.965 -17.131 1.00 30.85 MOLB

ATOM 3857 OG SΞR 257 30.752 -0.616 -17.556 1.00 35.54 MOLB

ATOM 3858 C SΞR 257 28.388 -1.598 -16.021 1.00 33.95 MOLB

ATOM 3859 O SΞR 257 27.689 -0.665 -16.388 1.00 39.85 MOLB

ATOM 3860 N GLY 258 28.445 -1.964 -14.754 1.00 37.51 MOLB

ATOM 3861 CA GLY 258 27.672 -1.233 -13.764 1.00 38.75 MOLB

ATOM 3862 C GLY 258 26.217 -1.683 -13.651 1.00 38.39 MOLB

ATOM 3863 O GLY 258 25.492 -1.750 -14.634 1.00 40.58 MOLB

ATOM 3864 N GLY 259 25.779 -2.013 -12.448 1.00 40.09 MOLB

ATOM 3865 CA GLY 259 24.393 -2.410 -12.281 1.00 39.10 MOLB

ATOM 3866 C GLY 259 24.057 -3.849 -12.612 1.00 38.19 MOLB

ATOM 3867 O GLY 259 22.934 -4.276 -12.368 1.00 38.27 MOLB

ATOM 3868 N LΞU 260 24.996 -4.602 -13.177 1.00 36.98 MOLB

ATOM 3869 CA LΞU 260 24.713 -6.003 -13.486 1.00 37.26 MOLB ATOM 3870 CB LΞU 260 25.715 -6.542 -14.504 1.00 35.80 MOLB

ATOM 3871 CG LΞU 260 25.831 -5.665 -15.757 1.00 36.94 MOLB

ATOM 3872 CDl LΞU 260 26.787 -6.313 -16.741 1.00 35.84 MOLB

ATOM 3873 CD2 LΞU 260 24.456 -5.490 -16.403 1.00 34.49 MOLB

ATOM 3874 C LΞU 260 24.811 -6.760 -12.171 1.00 39.42 MOLB

ATOM 3875 O LΞU 260 25.885 -6.878 -11.586 1.00 40.73 MOLB

ATOM 3876 N GLN 261 23.670 -7.258 -11.710 1.00 40.30 MOLB

ATOM 3877 CA GLN 261 23.566 -7.952 -10.433 1.00 42.88 MOLB

ATOM 3878 CB GLN 261 22.103 -7.932 -9.973 1.00 48.84 MOLB

ATOM 3879 CG GLN 261 21.558 -6.539 -9.684 1.00 54.26 MOLB

ATOM 3880 CD GLN 261 20.040 -6.451 -9.800 1.00 60.11 MOLB

ATOM 3881 OΞ1 GLN 261 19.437 -5.450 -9.401 1.00 63.42 MOLB

ATOM 3882 NΞ2 GLN 261 19.414 -7.492 -10.363 1.00 61.48 MOLB

ATOM 3883 C GLN 261 24.061 -9.385 -10.381 1.00 42.07 MOLB

ATOM 3884 0 GLN 261 24.595 -9.824 -9.355 1.00 41.38 MOLB

ATOM 3885 N ASP 262 23.884 -10.121 -11.471 1.00 38.08 MOLB

ATOM 3886 CA ASP 262 24.272 -11.522 -11.474 1.00 36.15 MOLB

ATOM 3887 CB ASP 262 23.195 -12.326 -10.740 1.00 35.36 MOLB

ATOM 3888 CG ASP 262 21.794 -12.065 -11.291 1.00 38.23 MOLB

ATOM 3889 OD1 ASP 262 21.673 -11.761 -12.495 1.00 32.68 MOLB

ATOM 3890 OD2 ASP 262 20.806 -12.166 -10.529 1.00 42.24 MOLB

ATOM 3891 C ASP 262 24.470 -12.059 -12.888 1.00 33.08 MOLB

ATOM 3892 O ASP 262 24.468 -11.291 -13.847 1.00 30.71 MOLB

ATOM 3893 N ALA 263 24.613 -13.377 -13.023 1.00 29.84 MOLB

ATOM 3894 CA ALA 263 24.822 -13.989 -14.341 1.00 29.38 MOLB

ATOM 3895 CB ALA 263 25.145 -15.495 -14.187 1.00 32.36 MOLB

ATOM 3896 C ALA 263 23.629 -13.808 -15.286 1.00 26.56 MOLB

ATOM 3897 O ALA 263 23.806 -13.784 -16.498 1.00 28.00 MOLB

ATOM 3898 N LΞU 264 22.418 -13.688 -14.746 1.00 27.18 MOLB

ATOM 3899 CA LΞU 264 21.252 -13.489 -15.612 1.00 27.11 MOLB

ATOM 3900 CB LΞU 264 19.938 -13.679 -14.834 1.00 26.83 MOLB

ATOM 3901 CG LΞU 264 18.653 -13.473 -15.662 1.00 29.51 MOLB

ATOM 3902 CDl LΞU 264 18.679 -14.397 -16.887 1.00 26.89 MOLB

ATOM 3903 CD2 LEU 264 17.386 -13.715 -14.808 1.00 27.43 MOLB

ATOM 3904 C LΞU 264 21.321 -12.079 -16.243 1.00 27.44 MOLB

ATOM 3905 O LΞU 264 21.044 -11.912 -17.433 1.00 25.52 MOLB

ATOM 3906 N ASP 265 21.701 -11.070 -15.463 1.00 25.55 MOLB

ATOM 3907 CA ASP 265 21.834 -9.715 -16.050 1.00 27.84 MOLB

ATOM 3908 CB ASP 265 22.212 -8.684 -14.980 1.00 28.78 MOLB

ATOM 3909 CG ASP 265 21.013 -8.238 -14.141 1.00 31.23 MOLB

ATOM 3910 OD1 ASP 265 21.233 -7.596 -13.104 1.00 33.75 MOLB

ATOM 3911 OD2 ASP 265 19.866 -8.520 -14.535 1.00 31.29 MOLB

ATOM 3912 C ASP 265 22.930 -9.745 -17.131 1.00 27.72 MOLB

ATOM 3913 O ASP 265 22.798 -9.100 -18.189 1.00 25.95 MOLB

ATOM 3914 N VAL 266 24.015 -10.482 -16.866 1.00 27.75 MOLB

ATOM 3915 CA VAL 266 25.099 -10.605 -17.848 1.00 26.96 MOLB

ATOM 3916 CB VAL 266 26.296 -11.486 -17.297 1.00 28.06 MOLB

ATOM 3917 CGI VAL 266 27.298 -11.804 -18.445 1.00 24.54 MOLB

ATOM 3918 CG2 VAL 266 27.033 -10.751 -16.176 1.00 27.91 MOLB

ATOM 3919 C VAL 266 24.545 -11.253 -19.124 1.00 26.37 MOLB

ATOM 3920 O VAL 266 24.772 -10.757 -20.232 1.00 25.49 MOLB

ATOM 3921 N ALA 267 23.834 -12.377 -18.975 1.00 25.38 MOLB

ATOM 3922 CA ALA 267 23.267 -13.056 -20.142 1.00 24.71 MOLB

ATOM 3923 CB ALA 267 22.436 -14.307 -19.722 1.00 21.96 MOLB

ATOM 3924 C ALA 267 22.371 -12.115 -20.945 1.00 24.09 MOLB ATOM 3925 O ALA 267 22.429 -12.091 -22.175 1.00 24.32 MOLB

ATOM 3926 N LYS 268 21.529 -11.358 -20.254 1, 00 24.76 MOLB

ATOM 3927 CA LYS 268 20.620 -10.445 -20.931 1, 00 25.82 MOLB

ATOM 3928 CB LYS 268 19.641 -9.862 -19.916 1, 00 24.47 MOLB

ATOM 3929 CG LYS 268 18.605 -10.884 -19.450 1.00 24.54 MOLB

ATOM 3930 CD LYS 268 17.661 -10.284 -18.435 1.00 24.37 MOLB

ATOM 3931 CΞ LYS 268 16.577 -11.275 -18.019 1.00 24.62 MOLB

ATOM 3932 NZ LYS 268 15.635 -10.647 -17.019 1, 00 26.43 MOLB

ATOM 3933 C LYS 268 21.325 -9.324 -21.685 1.00 25.68 MOLB

ATOM 3934 O LYS 268 20.936 -8.970 -22.803 1. 00 25.73 MOLB

ATOM 3935 N ALA 269 22.351 -8.752 -21.070 1, 00 25.23 MOLB

ATOM 3936 CA ALA 269 23.094 -7.673 -21.727 1, 00 25.26 MOLB

ATOM 3937 CB ALA 269 24.167 -7.134 -20.770 1, 00 24.65 MOLB

ATOM 3938 C ALA 269 23.735 -8.207 -23.005 1, 00 25.13 MOLB

ATOM 3939 O ALA 269 23.757 -7.532 -24.030 1, 00 24.16 MOLB

ATOM 3940 N ILΞ 270 24.273 -9.426 -22.944 1, 00 25.22 MOLB

ATOM 3941 CA ILΞ 270 24.892 -10.024 -24.133 1, 00 24.14 MOLB

ATOM 3942 CB ILΞ 270 25.648 -11.351 -23.746 1, 00 24.66 MOLB

ATOM 3943 CG2 ILΞ 270 26.145 -12.104 -25.007 1, 00 24.36 MOLB

ATOM 3944 CGI ILΞ 270 26.844 -11.003 -22.851 1.00 25.31 MOLB

ATOM 3945 CDl ILΞ 270 27.587 -12.210 -22.274 1, 00 29.49 MOLB

ATOM 3946 C ILΞ 270 23.827 -10.290 -25.199 1, 00 24.72 MOLB

ATOM 3947 O ILΞ 270 24.040 -10.033 -26.410 1.00 24.80 MOLB

ATOM 3948 N ALA 271 22.670 -10.800 -24.775 1.00 24.14 MOLB

ATOM 3949 CA ALA 271 21.585 -11.072 -25.731 1.00 25.62 MOLB

ATOM 3950 CB ALA 271 20.374 -11.739 -24.990 1. 00 25.77 MOLB

ATOM 3951 C ALA 271 21.139 -9.763 -26.399 1.00 27.09 MOLB

ATOM 3952 O ALA 271 20.674 -9.770 -27.532 1.00 27.35 MOLB

ATOM 3953 N LΞU 272 21.261 -8.645 -25.688 1.00 26.49 MOLB

ATOM 3954 CA LΞU 272 20.892 361 -26.286 1.00 28.55 MOLB

ATOM 3955 CB LΞU 272 20.546 323 -25.220 1.00 27.89 MOLB

ATOM 3956 CG LΞU 272 19.244 619 -24.479 1.00 28.42 MOLB

ATOM 3957 CDl LΞU 272 19.098 672 -23.277 1.00 28.26 MOLB

ATOM 3 CD2 LEU 272 18.040 505 -25.466 1.00 29.19 MOLB

ATOM 3959 C LΞU 272 22.012 822 -27.157 1.00 30.51 MOLB

ATOM 3960 O LΞU 272 21.900 728 -27.707 1.00 34.78 MOLB

ATOM 3961 N GLY 273 23.116 558 -27.254 1.00 28.19 MOLB

ATOM 3962 CA GLY 273 24.183 114 -28.119 1.00 26.68 MOLB

ATOM 3963 C GLY 273 25.560 -6.848 -27.536 1.00 26.84 MOLB

ATOM 3964 O GLY 273 26.507 -6.637 -28.299 1.00 27.55 MOLB

ATOM 3965 N ALA 274 25.703 -6.855 -26.216 1. 00 25.84 MOLB

ATOM 3966 CA ALA 274 27.017 -6.608 -25.626 1.00 26.11 MOLB

ATOM 3967 CB ALA 274 26.881 -6.398 -24.114 1.00 27.76 MOLB

ATOM 3968 C ALA 274 28.006 -7.752 -25.908 1.00 26.85 MOLB

ATOM 3969 O ALA 274 27.615 -8.922 -25.955 1.00 25.25 MOLB

ATOM 3970 N SΞR 275 29.281 -7.420 -26.107 1.00 26.81 MOLB

ATOM 3971 CA SΞR 275 30.306 -8.454 -26.351 1.00 28.24 MOLB

ATOM 3972 CB SΞR 275 31.387 -7.940 -27.311 1.00 30.53 MOLB

ATOM 3973 OG SΞR 275 30.862 -7.736 -28.612 1.00 35.45 MOLB

ATOM 3974 C SΞR 275 30.983 -8.825 -25.043 1.00 29.38 MOLB

ATOM 3975 O SΞR 275 31.559 -9.907 -24.913 1.00 29.46 MOLB

ATOM 3976 N CYS 276 30.928 -7.919 -24.069 1.00 28.13 MOLB

ATOM 3977 CA CYS 276 31.571 -8.160 -22.776 1.00 29.20 MOLB

ATOM 3978 CB CYS 276 33.066 -7.713 -22.817 1.00 32.04 MOLB

ATOM 3979 SG CYS 276 34.098 -8.701 -21.668 1.00 40.09 MOLB ATOM 3980 C CYS 276 30.836 -7.329 -21.751 1.00 27.50 MOLB

ATOM 3981 O CYS 276 30.190 -6.348 -22.103 1.00 26.23 MOLB

ATOM 3982 N THR 277 30.933 -7.715 -20.486 1.00 25.24 MOLB

ATOM 3983 CA THR 277 30.267 -6.978 -19.418 1.00 26.14 MOLB

ATOM 3984 CB THR 277 29.039 -7.750 -18.850 1.00 28.88 MOLB

ATOM 3985 OGl THR 277 29.473 -9.009 -18.313 1.00 27.54 MOLB

ATOM 3986 CG2 THR 277 28.009 -8.035 -19.975 1.00 27.52 MOLB

ATOM 3987 C THR 277 31.266 -6.798 -18.292 1.00 29.10 MOLB

ATOM 3988 O THR 277 32.155 -7.646 -18.091 1.00 30.64 MOLB

ATOM 3989 N GLY 278 31.114 -5.710 -17.552 1.00 28.26 MOLB

ATOM 3990 CA GLY 278 32.011 -5.444 -16.447 1.00 30.53 MOLB

ATOM 3991 C GLY 278 31.276 -5.402 -15.118 1.00 33.18 MOLB

ATOM 3992 O GLY 278 30.097 -5.033 -15.046 1.00 30.89 MOLB

ATOM 3993 N MΞT 279 31.984 -5.793 -14.063 1.00 31.17 MOLB

ATOM 3994 CA MΞT 279 31.456 -5.782 -12.705 1.00 35.32 MOLB

ATOM 3995 CB MΞT 279 31.027 -7.178 -12.269 1.00 37.49 MOLB

ATOM 3996 CG MΞT 279 29.793 -7.707 -12.951 1.00 45.55 MOLB

ATOM 3997 SD MΞT 279 29.360 -9.269 -12.176 1.00 48.00 MOLB

ATOM 3998 CΞ MΞT 279 30.621 -10.262 -12.760 1.00 51.41 MOLB

ATOM 3999 C MΞT 279 32.543 -5.316 -11.742 1.00 36.66 MOLB

ATOM 4000 O MΞT 279 33.727 -5.594 -11.951 1.00 33.51 MOLB

ATOM 4001 N ALA 280 32.134 -4.623 -10.684 1.00 37.14 MOLB

ATOM 4002 CA ALA 280 33.069 -4.141 -9.669 1.00 42.61 MOLB

ATOM 4003 CB ALA 280 33.128 -2.627 -9.692 1.00 40.25 MOLB

ATOM 4004 C ALA 280 32.657 -4.611 -8.274 1.00 46.13 MOLB

ATOM 4005 O ALA 280 33.354 -5.400 -7.642 1.00 48.52 MOLB

ATOM 4006 N GLY 281 31.514 -4.097 -7.822 1.00 49.89 MOLB

ATOM 4007 CA GLY 281 30.960 -4.389 -6.510 1.00 50.92 MOLB

ATOM 4008 C GLY 281 31.223 -5.705 -5.816 1.00 51.67 MOLB

ATOM 4009 O GLY 281 32.090 -5.775 -4.943 1.00 52.08 MOLB

ATOM 4010 N HIS 282 30.494 -6.753 -6.187 1.00 52.47 MOLB

ATOM 4011 CA HIS 282 30.669 -8.026 -5.509 1.00 54.43 MOLB

ATOM 4012 CB HIS 282 29.594 -9.034 -5.943 1.00 59.68 MOLB

ATOM 4013 CG HIS 282 29.877 -9.693 -7.254 1.00 ©3 • o3 MOLB

ATOM 4014 CD2 HIS 282 29.896 -11.002 -7.608 1.00 65.39 MOLB

ATOM 4015 NDl HIS 282 30.174 -8.979 -8.393 1.00 65.59 MOLB

ATOM 4016 CΞl HIS 282 30.364 -9.819 -9.397 1.00 67.14 MOLB

ATOM 4017 NΞ2 HIS 282 30.200 -11.052 -8.947 1.00 67.29 MOLB

ATOM 4018 C HIS 282 32.060 -8.636 -5.650 1.00 52.20 MOLB

ATOM 4019 O HIS 282 32.457 -9.454 -4.818 1.00 51.54 MOLB

ATOM 4020 N PHΞ 283 32.801 -8.261 -6.690 1.00 50.47 MOLB

ATOM 4021 CA PHΞ 283 34.161 -8.788 -6.845 1.00 49.34 MOLB

ATOM 4022 CB PHΞ 283 34.758 -8.464 -8.231 1.00 49.12 MOLB

ATOM 4023 CG PHΞ 283 34.294 -9.377 -9.332 1.00 47.39 MOLB

ATOM 4024 CDl PHΞ 283 33.869 -10.671 -9.051 1.00 47.70 MOLB

ATOM 4025 CD2 PHΞ 283 34.327 -8.953 -10.663 1.00 46.17 MOLB

ATOM 4026 CΞl PHE 283 33.479 -11.536 -10.074 1.00 48.53 MOLB

ATOM 4027 CΞ2 PHE 283 33.944 -9.803 -11.693 1.00 45.53 MOLB

ATOM 4028 CZ PHE 283 33.520 -11.101 -11.402 1.00 47.59 MOLB

ATOM 4029 C PHΞ 283 35.058 -8.163 -5.770 1.00 49.07 MOLB

ATOM 4030 O PHΞ 283 35.837 -8.863 -5.107 1.00 47.28 MOLB

ATOM 4031 N LΞU 284 34.945 -6.847 -5.595 1.00 47.53 MOLB

ATOM 4032 CA LΞU 284 35.764 -6.156 -4.604 1.00 49.20 MOLB

ATOM 4033 CB LΞU 284 35.626 -4.637 -4.749 1.00 49.54 MOLB

ATOM 4034 CG LΞU 284 35.762 -4.111 -6.188 1.00 53.48 MOLB ATOM 4035 CDl LΞU 284 35.566 -2.594 -6.203 1.00 52.97 MOLB

ATOM 4036 CD2 LΞU 284 37.126 -4.494 -6.763 1.00 52.95 MOLB

ATOM 4037 C LΞU 284 35.357 -6.581 -3.204 1.00 48.92 MOLB

ATOM 4038 O LΞU 284 36.189 -6.644 -2.305 1.00 46.32 MOLB

ATOM 4039 N LYS 285 34.072 -6.883 -3.029 1.00 50.33 MOLB

ATOM 4040 CA LYS 285 33.564 -7.306 -1.727 1.00 51.48 MOLB

ATOM 4041 CB LYS 285 32.037 -7.351 -1.749 1.00 54.57 MOLB

ATOM 4042 CG LYS 285 31.413 -6.004 -2.061 1.00 60.69 MOLB

ATOM 4043 CD LYS 285 29.957 -6.143 -2.516 1.00 64.33 MOLB

ATOM 4044 CB LYS 285 29.392 -4.794 -2.967 1.00 65.55 MOLB

ATOM 4045 NZ LYS 285 28.098 -4.946 -3.706 1.00 66.92 MOLB

ATOM 4046 C LYS 285 34.125 -8.678 -1.370 1.00 49.38 MOLB

ATOM 4047 O LYS 285 34.513 -8.918 -0.232 1.00 51.61 MOLB

ATOM 4048 N ALA 286 34.175 -9.570 -2.350 1.00 46.75 MOLB

ATOM 4049 CA ALA 286 34.696 -10.904 -2.127 1.00 45.59 MOLB

ATOM 4050 CB ALA 286 34.525 -11.750 -3.378 1.00 44.84 MOLB

ATOM 4051 C ALA 286 36.170 -10.828 -1.748 1.00 45.91 MOLB

ATOM 4052 O ALA 286 36.656 -11.623 -0.938 1.00 43.60 MOLB

ATOM 4053 N LΞU 287 36.875 -9.866 -2.339 1.00 45.27 MOLB

ATOM 4054 CA LΞU 287 38.301 -9.684 -2.075 1.00 46.80 MOLB

ATOM 4055 CB LΞU 287 38.896 -8.644 -3.036 1.00 43.55 MOLB

ATOM 4056 CG LΞU 287 40.395 -8.365 -2.853 1.00 43.07 MOLB

ATOM 4057 CDl LΞU 287 41.172 -9.669 -2.921 1.00 38.69 MOLB

ATOM 4058 CD2 LΞU 287 40.876 -7.389 -3.931 1.00 39.37 MOLB

ATOM 4059 C LΞU 287 38.566 -9.248 -0.635 1.00 47.67 MOLB

ATOM 4060 O LΞU 287 39.379 -9.847 0.068 1.00 46.84 MOLB

ATOM 4061 N THR 288 37.876 -8.203 -0.202 1.00 49.71 MOLB

ATOM 4062 CA THR 288 38.059 -7.695 1.150 1.00 53.86 MOLB

ATOM 4063 CB THR 288 37.330 -6.350 1.331 1.00 54.23 MOLB

ATOM 4064 OGl THR 288 35.982 -6.480 0.877 1.00 58.22 MOLB

ATOM 4065 CG2 THR 288 38.013 -5.255 0.517 1.00 55.97 MOLB

ATOM 4066 C THR 288 37.592 -8.676 2.227 1.00 54.27 MOLB

ATOM 4067 O THR 288 38.115 -8.665 3.342 1.00 56.01 MOLB

ATOM 4068 N ASP 289 3 _*62 -9.528 1.894 1.00 54.59 MOLB

ATOM 4069 CA ASP 289 36.109 -10.497 2.856 1.00 55.43 MOLB

ATOM 4070 CB ASP 289 34.644 -10.836 2.567 1.00 56.45 MOLB

ATOM 4071 CG ASP 289 33.719 -9.656 2.767 1.00 57.20 MOLB

ATOM 4072 OD1 ASP 289 34.117 -8.681 3.442 1.00 60.19 MOLB

ATOM 4073 OD2 ASP 289 32.585 -9.709 2.255 1.00 58.75 MOLB

ATOM 4074 C ASP 289 36.892 -11.798 2.903 1.00 56.02 MOLB

ATOM 4075 O ASP 289 37.309 -12.240 3.976 1.00 57.47 MOLB

ATOM 4076 N SΞR 290 37.093 -12.413 1.743 1.00 54.10 MOLB

ATOM 4077 CA SΞR 290 37.801 -13.677 1.686 1.00 52.93 MOLB

ATOM 4078 CB SΞR 290 36.845 -14.763 1.195 1.00 55.47 MOLB

ATOM 4079 OG SΞR 290 35.933 -14.238 0.243 1.00 60.75 MOLB

ATOM 4080 C SΞR 290 39.094 -13.690 0.869 1.00 50.29 MOLB

ATOM 4081 O SΞR 290 39.548 -14.747 0.433 1.00 48.40 MOLB

ATOM 4082 N GLY 291 39.684 -12.515 0.672 1.00 48.87 MOLB

ATOM 4083 CA GLY 291 40.939 -12.429 -0.057 1.00 46.37 MOLB

ATOM 4084 C GLY 291 40.921 -12.911 -1.496 1.00 46.58 MOLB

ATOM 4085 O GLY 291 39.860 -13.037 -2.116 1.00 42.63 MOLB

ATOM 4086 N GLU 292 42.115 -13.165 -2.024 1.00 45.84 MOLB

ATOM 4087 CA GLU 292 42.289 -13.625 -3.397 1.00 46.12 MOLB

ATOM 4088 CB GLU 292 43.779 -13.796 -3.713 1.00 47.18 MOLB

ATOM 4089 CG GLU 292 44.421 -12.531 -4.231 1.00 45.96 MOLB ATOM 4090 CD GLU 292 45.,941 -12..604 -4.292 1.00 44,.91 MOLB

ATOM 4091 OBI GLU 292 46, .487 -13, .631 -4.731 1.00 46, .73 MOLB

ATOM 4092 OΞ2 GLU 292 46, .580 -11, .616 -3.916 1.00 42, .54 MOLB

ATOM 4093 C GLU 292 41. .556 -14. .928 -3.690 1.00 46. .78 MOLB

ATOM 4094 O GLU 292 40. .961 -15. .095 -4.759 1.00 43, .69 MOLB

ATOM 4095 N GLU 293 41, .593 -15. .846 -2.734 1.00 44. .66 MOLB

ATOM 4096 CA GLU 293 40. .934 -17. .123 -2.903 1.00 45, .32 MOLB

ATOM 4097 CB GLU 293 41. .239 -18. .033 -1.704 1.00 49, .20 MOLB

ATOM 4098 CG GLU 293 42, .735 -18. .388 -1.565 1.00 56, .46 MOLB

ATOM 4099 CD GLU 293 43, .630 -17. .208 -1.113 1.00 59, .09 MOLB

ATOM 4100 OBI GLU 293 44, .863 -17, .292 -1.350 1.00 62. .31 MOLB

ATOM 4101 OΞ2 GLU 293 43, .124 -16, .219 -0.516 1.00 56, .06 MOLB

ATOM 4102 C GLU 293 39, .427 -16, .929 -3.067 1.00 42, .07 MOLB

ATOM 4103 O GLU 293 38, .807 -17, .571 -3.911 1.00 41. .88 MOLB

ATOM 4104 N GLY 294 38. ,854 -16. .044 -2.259 1.00 39, .60 MOLB

ATOM 4105 CA GLY 294 37. .431 -15. .768 -2.340 1.00 40, .28 MOLB

ATOM 4106 C GLY 294 37. .071 -15. .101 -3.664 1.00 40. .76 MOLB

ATOM 4107 O GLY 294 36. ,098 -15. .488 -4.317 1.00 39. .45 MOLB

ATOM 4108 N LΞU 295 37. .844 -14. .088 -4.056 1.00 38. .60 MOLB

ATOM 4109 CA .LΞU 295 37. .603 -13, .401 -5.322 1.00 38. .03 MOLB

ATOM 4110 CB LΞU 295 38. .662 -12. .313 -5.564 1.00 36, .46 MOLB

ATOM 4111 CG LΞU 295 38. .607 -11, .562 -6.906 1.00 37, .08 MOLB

ATOM 4112 CDl LΞU 295 37. .220 -10, .958 -7.115 1.00 36, .66 MOLB

ATOM 4113 CD2 LΞU 295 39, ,695 -10, .476 -6.941 1.00 34, .16 MOLB

ATOM 4114 C LΞU 295 37, .632 -14. .422 -6.461 1.00 38. .43 MOLB

ATOM 4115 O LΞU 295 36, ,715 -14. .459 -7.277 1.00 37, .29 MOLB

ATOM 4116 N LΞU 296 38, ,664 -15. .262 -6.506 1.00 39, .67 MOLB

ATOM 4117 CA LΞU 296 38. ,784 -16. .271 -7.560 1.00 43, .09 MOLB

ATOM 4118 CB LΞU 296 40, ,042 -17, .111 -7.354 1.00 47, .01 MOLB

ATOM 4119 CG LΞU 296 40, .819 -17, .544 -8.597 1.00 52, .42 MOLB

ATOM 4120 CDl LΞU 296 41, .795 -18, .644 -8.167 1.00 53, .46 MOLB

ATOM 4121 CD2 LΞU 296 39, ,893 -18, .056 -9.713 1.00 54, .39 MOLB

ATOM 4122 C LΞU 296 37, ,558 -17, .197 -7.601 1.00 44, .16 MOLB

ATOM 4123 O LΞU 296 37, ,053 -17, .524 -8.680 1.00 40, .97 MOLB

ATOM 4124 N GLU 297 37. .085 -17, .618 -6.427 1.00 43, .80 MOLB

ATOM 4125 CA GLU 297 35, .910 -18, .483 -6.359 1.00 44, .36 MOLB

ATOM 4126 CB GLU 297 35. .621 -18, .911 -4.918 1.00 49, .40 MOLB

ATOM 4127 CG GLU 297 36. .555 -19, .964 -4.372 1.00 56, .16 MOLB

ATOM 4128 CD GLU 297 36, .088 -20, .505 -3.028 1.00 61, .71 MOLB

ATOM 4129 OΞ1 GLU 297 36, .801 -21, .366 -2.462 1.00 64, .68 MOLB

ATOM 4130 OΞ2 GLU 297 35, .011 -20, .074 -2.542 1.00 62, ,89 MOLB

ATOM 4131 C GLU 297 34, .674 -17, .770 -6.904 1.00 42. .22 MOLB

ATOM 4132 O GLU 297 33, .878 -18, .364 -7.620 1.00 41, .09 MOLB

ATOM 4133 N GLU 298 34, .522 -16. .497 -6.555 1.00 39, .40 MOLB

ATOM 4134 CA GLU 298 33, .374 -15, .723 -6.996 1.00 40. .27 MOLB

ATOM 4135 CB GLU 298 33. .360 -14, .364 -6.301 1.00 41, .60 MOLB

ATOM 4136 CG GLU 298 32, .140 -13, .493 -6.585 1.00 47, .63 MOLB

ATOM 4137 CD GLU 298 30. .806 -14, .249 -6.444 1.00 53, .03 MOLB

ATOM 4138 OΞ1 GLU 298 30, .627 -14, .987 -5.444 1.00 48. .17 MOLB

ATOM 4139 OΞ2 GLU 298 29, .941 -14, .089 -7.343 1.00 52, .62 MOLB

ATOM 4140 C GLU 298 33, .348 -15, .549 -8.518 1.00 39, .07 MOLB

ATOM 4141 O GLU 298 32, .282 -15, .595 -9.133 1.00 37, .35 MOLB

ATOM 4142 N ILΞ 299 34, .525 -15, .356 -9.115 1.00 37, .42 MOLB

ATOM 4143 CA ILΞ 299 34, .648 -15, .201 -10.563 1.00 36, ,10 MOLB

ATOM 4144 CB ILΞ 299 36, .094 -14. .797 -10.962 1.00 33, .55 MOLB ATOM 4145 CG2 ILΞ 299 36..259 -14..897 -12,.487 1.00 33,.62 MOLB

ATOM 4146 CGI ILΞ 299 36. .405 -13. .395 -10, .432 1.00 32, .60 MOLB

ATOM 4147 CDl ILΞ 299 37. .864 -12. .961 -10, .605 1.00 31, .41 MOLB

ATOM 4148 C ILΞ 299 34. ,308 -16. .527 -11, .255 1.00 38, .75 MOLB

ATOM .4149 O ILΞ 299 33. .595 -16. .556 -12, .258 1.00 36. .44 MOLB

ATOM 4150 N GLN 300 34. .831 -17. .627 -10, .719 1.00 38. .44 MOLB

ATOM 4151 CA GLN 300 34. .566 -18. .932 -11, .308 1.00 40, .26 MOLB

ATOM 4152 CB GLN 300 35. .417 -20, .012 -10, .608 1.00 43, .52 MOLB

ATOM 4153 CG GLN 300 36. .913 -19, .965 -10, .984 1.00 50, .66 MOLB

ATOM 4154 CD GLN 300 37. .832 -20, .697 -9, .989 1.00 54, .44 MOLB

ATOM 4155 OΞ1 GLN 300 38. .960 -21, .067 -10, .325 1.00 57, .45 MOLB

ATOM 4156 NΞ2 GLN 300 37. .357 -20, .886 -8, .765 1.00 56, .59 MOLB

ATOM 4157 C GLN 300 33, .076 -19, .264 -11, .206 1.00 38, .25 MOLB

ATOM 4158 O GLN 300 32, .489 -19. .845 -12, .116 1.00 37, .46 MOLB

ATOM 4159 N LΞU 301 32. .466 -18. .884 -10, .096 1.00 38, .61 MOLB

ATOM 4160 CA LΞU 301 31. .063 -19. .166 -9, .900 1.00 39, .60 MOLB

ATOM 4161 CB LΞU 301 30, .655 -18, .837 -8, .477 1.00 41, .29 MOLB

ATOM 4162 CG LΞU 301 29, .244 -19, .277 -8, .091 1.00 44, .47 MOLB

ATOM 4163 CDl LEU 301 28, .962 -20, .711 -8, .551 1.00 43, .55 MOLB

ATOM 4164 CD2 LEU 301 29, .122 -19, .146 -6, .576 1.00 47, .07 MOLB

ATOM 4165 C LEU 301 30. .164 -18, .417 -10, .877 1.00 38, .43 MOLB

ATOM 4166 O LEU 301 29. .254 -19, .011 -11, .456 1.00 37, .57 MOLB

ATOM 4167 N ILΞ 302 30, .394 -17, .122 -11, .072 1.00 35, .64 MOLB

ATOM 4168 CA ILΞ 302 29, .535 -16. .418 -12, .006 1.00 35, .67 MOLB

ATOM 4169 CB ILΞ 302 29, .700 -14. .875 -11, .923 1.00 37, .95 MOLB

ATOM 4170 CG2 ILΞ 302 31, .074 -14, .467 -12, .351 1.00 35, .73 MOLB

ATOM 4171 CGI ILΞ 302 28, .612 -14, .206 -12, .785 1.00 37 .69 MOLB

ATOM 4172 CDl ILΞ 302 28, .416 -12, .709 -12, .484 1.00 42, .29 MOLB

ATOM 4173 C ILΞ 302 29. .726 -16, .917 -13. .438 1.00 34, .18 MOLB

ATOM 4174 O ILΞ 302 28. .763 -16, .961 -14, .202 1.00 34, .38 MOLB

ATOM 4175 N LΞU 303 30, .945 -17, .306 -13, .804 1.00 32, .39 MOLB

ATOM 4176 CA LΞU 303 31, .178 -17, .830 -15, .146 1.00 34, .50 MOLB

ATOM 4177 CB LΞU 303 32, .669 -18, .056 -15, .408 1.00 34, .25 MOLB

ATOM 4178 CG LEU 303 33, .568 —16 i • o03 -15, .384 1.00 37, .49 MOLB

ATOM 4179 CDl LEU 303 35, .038 -17, .205 -15, .499 1.00 36, .49 MOLB

ATOM 4180 CD2 LEU 303 33, .157 -15. .868 -16, .521 1.00 39, .10 MOLB

ATOM 4181 C LEU 303 30, .427 -19. .162 -15, .321 1.00 35, .43 MOLB

ATOM 4182 O LΞU 303 29, .904 -19. .450 -16, .400 1.00 32, .90 MOLB

ATOM 4183 N GLU 304 30, .371 -19. .977 -14, .272 1.00 35, .20 MOLB

ATOM 4184 CA GLU 304 29, .663 -21, .248 -14, .392 1.00 37, .00 MOLB

ATOM 4185 CB GLU 304 30, .031 -22, .191 -13, .237 1.00 39, .92 MOLB

ATOM 4186 CG GLU 304 31, .488 -22, .664 -13, .285 1.00 45, .88 MOLB

ATOM 4187 CD GLU 304 31. .847 -23, .352 -14, .595 1.00 49, .00 MOLB

ATOM 4188 OΞ1 GLU 304 32, .826 -22, .926 -15. .264 1.00 50, .62 MOLB

ATOM 4189 OΞ2 GLU 304 31, .150 -24, .325 -14, .966 1.00 52, .86 MOLB

ATOM 4190 C GLU 304 28, .163 -20, .983 -14, .425 1.00 35. .78 MOLB

ATOM 4191 O GLU 304 27, .426 -21, .671 -15, .132 1.00 33, .23 MOLB

ATOM 4192 N GLU 305 27, .709 -19, .998 -13, .656 1.00 34, .48 MOLB

ATOM 4193 CA GLU 305 26, .288 -19, .653 -13, .658 1.00 35, .37 MOLB

ATOM 4194 CB GLU 305 25, .984 -18. .601 -12, .577 1.00 37, .04 MOLB

ATOM 4195 CG GLU 305 25, .890 -19. .213 -11, .193 1.00 42, .76 MOLB

ATOM 4196 CD GLU 305 26, .012 -18, .204 -10, .056 1.00 45, .39 MOLB

ATOM 4197 OΞ1 GLU 305 25, .637 -18, .559 -8, .922 1.00 46, .72 MOLB

ATOM 4198 OΞ2 GLU 305 26, .492 -17, .076 -10, .288 1.00 45, .76 MOLB

ATOM 4199 C GLU 305 25, .873 -19, .157 -15, .047 1.00 33, .72 MOLB ATOM 4200 O GLU 305 24.,775 -19.,456 -15.,491 1.00 34.,67 MOLB

ATOM 4201 N LΞU 306 26. ,742 -18. .417 -15, .740 1.00 31. .85 MOLB

ATOM 4202 CA LEU 306 26. ,408 -17. ,951 -17, .097 1.00 30. ,78 MOLB

ATOM 4203 CB LEU 306 27. ,460 -16. ,958 -17. .639 1.00 29. .60 MOLB

ATOM 4204 CG LEU 306 27. ,340 -16. ,521 -19. .118 1.00 30. ,46 MOLB

ATOM 4205 CDl LΞU 306 25. ,962 -15. ,840 -19, .360 1.00 27. ,11 MOLB

ATOM 4206 CD2 LΞU 306 28. ,483 -15. ,523 -19. .497 1.00 30. ,10 MOLB

ATOM 4207 C LΞU 306 26. ,317 -19. ,163 -18. .040 1.00 32. ,57 MOLB

ATOM 4208 O LΞU 306 25. ,404 -19. ,268 -18. .848 1.00 27. ,84 MOLB

ATOM 4209 N LYS 307 27. ,271 -20. .081 -17. .940 1.00 31. ,63 MOLB

ATOM 4210 CA LYS 307 27. ,246 -21. ,273 -18. .784 1.00 33. ,08 MOLB

ATOM 4211 CB LYS 307 28. .442 -22. ,176 -18, .470 1.00 33. ,69 MOLB

ATOM 4212 CG LYS 307 29. .789 -21. .621 -18, .933 1.00 36. ,44 MOLB

ATOM 4213 CD LYS 307 30. .907 -22. .564 -18, .491 1.00 41. ,12 MOLB

ATOM 4214 CΞ LYS 307 32. ,286 -21. .986 -18, .770 1.00 44. ,72 MOLB

ATOM 4215 NZ LYS 307 33. .332 -22. .825 -18. .096 1.00 47. .11 MOLB

ATOM 4216 C LYS 307 25, .959 -22. .071 -18. .559 1.00 31. .80 MOLB

ATOM 4217 O LYS 307 25, .431 -22. .708 -19, .476 1.00 31. .91 MOLB

ATOM 4218 N LΞU 308 25, .480 -22. .057 -17, .324 1.00 30. .91 MOLB

ATOM 4219 CA LΞU 308 24. .262 -22. .762 -16, .972 1.00 34. .47 MOLB

ATOM 4220 CB LΞU 308 24. .043 -22. .676 -15, .461 1.00 38. .91 MOLB

ATOM 4221 CG LΞU 308 23, .202 -23. .789 -14, .845 1.00 46. .26 MOLB

ATOM 4222 CDl LΞU 308 23, .996 -25. .103 -14, .955 1.00 49, .54 MOLB

ATOM 4223 CD2 LΞU 308 22, .910 -23, .485 -13, .365 1.00 48. .50 MOLB

ATOM 4224 C LΞU 308 23, .076 -22, .131 -17, .715 1.00 33. .50 MOLB

ATOM 4225 O LΞU 308 22, .238 -22. .832 -18, .300 1.00 31. .75 MOLB

ATOM 4226 N ILΞ 309 23, .014 -20, .804 -17, .687 1.00 31. .33 MOLB

ATOM 4227 CA ILΞ 309 21, .935 -20, .084 -18, .359 1.00 29. .47 MOLB

ATOM 4228 CB ILΞ 309 22, .019 -18, .555 -18, .077 1.00 27. .83 MOLB

ATOM 4229 CG2 ILΞ 309 21, .031 -17, .799 -19, .000 1.00 26. .69 MOLB

ATOM 4230 CGI ILΞ 309 21, .680 -18, .299 -16, .602 1.00 29. .67 MOLB

ATOM 4231 CDl ILΞ 309 22, .014 -16. .879 -16, .106 1.00 31, .44 MOLB

ATOM 4232 C ILΞ 309 22, .019 -20, .345 -19, .845 1.00 27. .84 MOLB

ATOM 4233 O ILE 309 21 .009 -20, .586 -20 .493 1.00 28. .16 MOLB

ATOM 4234 N MΞT 310 23, .225 -20, .298 -20 .399 1.00 25, .92 MOLB

ATOM 4235 CA MΞT 310 23, .375 -20, .566 -21, .825 1.00 26, .07 MOLB

ATOM 4236 CB MΞT 310 24 .814 -20 .305 -22 .265 1.00 27, .20 MOLB

ATOM 4237 CG MΞT 310 25 .153 -18, .783 -22 .248 1.00 26, .22 MOLB

ATOM 4238 SD MΞT 310 26 .890 -18, .458 -22 .461 1.00 30, .87 MOLB

ATOM 4239 CΞ MΞT 310 27 .044 -18, .794 -24 .031 1.00 22. .34 MOLB

ATOM 4240 C MΞT 310 22 .952 -22 .008 -22 .168 1.00 27, .69 MOLB

ATOM 4241 O MΞT 310 22 .352 -22 .254 -23 .247 1.00 28, .77 MOLB

ATOM 4242 N THR 311 23 .269 -22, .953 -21 .277 1.00 26, .80 MOLB

ATOM 4243 CA THR 311 22 .897 -24, .358 -21 .493 1.00 29, .43 MOLB

ATOM 4244 CB THR 311 23 .381 -25 .271 -20 .313 1.00 31, .77 MOLB

ATOM 4245 OGl THR 311 24 .827 -25 .231 -20 .215 1.00 31, .59 MOLB

ATOM 4246 CG2 THR 311 22 .921 -26 .738 -20 .538 1.00 32, .15 MOLB

ATOM 4247 C THR 311 21 .367 -24 .487 -21 .616 1.00 29 .96 MOLB

ATOM 4248 O THR 311 20 .866 -25 .166 -22 .514 1.00 29 .89 MOLB

ATOM 4249 N VAL 312 20 .638 -23 .841 -20 .704 1.00 30, .19 MOLB

ATOM 4250 CA VAL 312 19 .180 -23 .892 -20 .686 1.00 31, .36 MOLB

ATOM 4251 CB VAL 312 18 .651 -23 .273 -19 .361 1.00 34 .88 MOLB

ATOM 4252 CGI VAL 312 17 .144 -23 .124 -19 .385 1.00 40 .52 MOLB

ATOM 4253 CG2 VAL 312 19 .078 -24 .169 -18 .187 1.00 35 .62 MOLB

ATOM 4254 C VAL 312 18 .576 -23 .206 -21 .925 1.00 32 .21 MOLB ATOM 4255 O VAL 312 17.506 -23.600 -22.391 1.00 28.54 MOLB

ATOM 4256 N LΞU 313 19.275 -22.203 -22.464 1.00 27.94 MOLB

ATOM 4257 CA LΞU 313 18.827 -21.487 -23.665 1.00 27.66 MOLB

ATOM 4258 CB LΞU 313 19.388 -20.045 -23.679 1.00 27.83 MOLB

ATOM 4259 CG LΞU 313 18.846 -19.091 -22.621 1.00 27.95 MOLB

ATOM 4260 CDl LΞU 313 19.660 -17.777 -22.598 1.00 28.29 MOLB

ATOM 4261 CD2 LΞU 313 17.380 -18.783 -22.934 1.00 28.54 MOLB

ATOM 4262 C LΞU 313 19.242 -22.180 -24.959 1.00 25.96 MOLB

ATOM 4263 O LΞU 313 18.802 -21.801 -26.051 1.00 27.09 MOLB

ATOM 4264 N GLY 314 20.075 -23.214 -24.848 1.00 27.36 MOLB

ATOM 4265 CA GLY 314 20.556 -23.871 -26.054 1.00 27.01 MOLB

ATOM 4266 C GLY 314 21.565 -22.976 -26.782 1.00 28.71 MOLB

ATOM 4267 O GLY 314 21.759 -23.122 -27.983 1.00 28.16 MOLB

ATOM 4268 N ALA 315 22.193 -22.036 -26.071 1.00 27.34 MOLB

ATOM 4269 CA ALA 315 23.194 -21.147 -26.689 1.00 30.30 MOLB

ATOM 4270 CB ALA 315 23.131 -19.750 -26.068 1.00 26.87 MOLB

ATOM 4271 C ALA 315 24.577 -21.732 -26.458 1.00 30.58 MOLB

ATOM 4272 O ALA 315 25.105 -21.684 -25.350 1.00 32.68 MOLB

ATOM 4273 N ARG 316 25.167 -22.287 -27.500 1.00 32.12 MOLB

ATOM 4274 CA ARG 316 26.479 -22.900 -27.370 1.00 35.09 MOLB

ATOM 4275 CB ARG 316 26.721 -23.864 -28.552 1.00 38.54 MOLB

ATOM 4276 CG ARG 316 27.927 -24.791 -28.335 1.00 47.06 MOLB

ATOM 4277 CD ARG 316 28.316 -25.629 -29.566 1.00 49.84 MOLB

ATOM 4278 NΞ ARG 316 29.335 -24.958 -30.374 1.00 56.19 MOLB

ATOM 4279 CZ ARG 316 29.084 -24.259 -31.478 1.00 57.23 MOLB

ATOM 4280 NH1 ARG 316 27,837 -24.148 -31.921 1.00 59.63 MOLB

ATOM 4281 NH2 ARG 316 30.074 -23.644 -32.119 1.00 58.02 MOLB

ATOM 4282 C ARG 316 27.633 -21.893 -27.311 1.00 34.20 MOLB

ATOM 4283 O ARG 316 28.684 -22.194 -26.757 1.00 35.99 MOLB

ATOM 4284 N THR 317 27.460 -20.718 -27.911 1.00 33.52 MOLB

ATOM 4285 CA THR 317 28.532 -19.718 -27.934 1.00 31.64 MOLB

ATOM 4286 CB THR 317 29.159 -19.590 -29.344 1.00 31.84 MOLB

ATOM 4287 OGl THR 317 28.151 -19.154 -30.267 1.00 33.89 MOLB

ATOM 4288 CG2 THR 317 29.715 -20.954 -29.843 1.00 33.44 MOLB

ATOM 4289 C THR 317 27.965 -18.343 -27.597 1.00 32.73 MOLB

ATOM 4290 0 THR 317 26.740 -18.169 -27.560 1.00 28.45 MOLB

ATOM 4291 N ILΞ 318 28.855 -17.371 -27.381 1.00 29.20 MOLB

ATOM 4292 CA ILΞ 318 28.425 -16.001 -27.125 1.00 29.83 MOLB

ATOM 4293 CB ILΞ 318 29.654 -15.079 -26.834 1.00 29.00 MOLB

ATOM 4294 CG2 ILΞ 318 29.257 -13.564 -26.919 1.00 25.36 MOLB

ATOM 4295 CGI ILΞ 318 30.245 -15.463 -25.478 1.00 27.65 MOLB

ATOM 4296 CDl ILΞ 318 29.282 -15.371 -24.278 1.00 27.62 MOLB

ATOM 4297 C ILΞ 318 27.632 -15.488 -28.329 1.00 30.34 MOLB

ATOM 4298 O ILΞ 318 26.608 -14.808 -28.172 1.00 28.05 MOLB

ATOM 4299 N ALA 319 28.094 -15.814 -29.532 1.00 29.86 MOLB

ATOM 4300 CA ALA 319 27.389 -15.393 -30.737 1.00 31.43 MOLB

ATOM 4301 CB ALA 319 28.127 -15.886 -31.986 1.00 33.22 MOLB

ATOM 4302 C ALA 319 25.933 -15.912 -30.744 1.00 31.44 MOLB

ATOM 4303 O ALA 319 25.037 -15.226 -31.233 1.00 30.61 MOLB

ATOM 4304 N ASP 320 25.707 -17.118 -30.211 1.00 30.60 MOLB

ATOM 4305 CA ASP 320 24.359 -17.690 -30.147 1.00 31.59 MOLB

ATOM 4306 CB ASP 320 24.407 -19.170 -29.762 1.00 29.14 MOLB

ATOM 4307 CG ASP 320 24.879 -20.070 -30.910 1.00 36.31 MOLB

ATOM 4308 OD1 ASP 320 25.364 -21.172 -30.612 1.00 41.95 MOLB

ATOM 4309 OD2 ASP 320 24.750 -19.694 -32.084 1.00 37.26 MOLB ATOM 4310 C ASP 320 23.,536 -16.,947 -29..094 1.00 30.,02 MOLB

ATOM 4311 O ASP 320 22. ,335 -16. ,693 -29. .284 1.00 28. ,59 MOLB

ATOM 4312 N LΞU 321 24. ,170 -16. ,621 -27. .971 1.00 28. ,24 MOLB

ATOM 4313 CA LΞU 321 23. ,472 -15. ,893 -26. ,901 1.00 27. ,36 MOLB

ATOM 4314 CB LΞU 321 24. ,384 -15. ,739 -25. ,664 1.00 26. ,58 MOLB

ATOM 4315 CG LΞU 321 23. ,757 -15. ,048 -24. ,435 1.00 28. ,10 MOLB

ATOM 4316 CDl LΞU 321 22. ,456 -15. ,778 -24. ,035 1.00 27. .71 MOLB

ATOM 4317 CD2 LΞU 321 24. ,745 -15. ,074 -23. ,258 1.00 29. .03 MOLB

ATOM 4318 C LΞU 321 23. ,062 -14. ,527 -27. .445 _, 1.00 27. .35 MOLB

ATOM 4319 O LΞU 321 21. ,985 -13. ,997 -27. .119 1.00 24. .79 MOLB

ATOM 4320 N GLN 322 23. ,905 -13. ,948 -28. .292 1.00 27. .55 MOLB

ATOM 4321 CA GLN 322 23. ,577 -12. ,634 -28. .865 1.00 28. .23 MOLB

ATOM 4322 CB GLN 322 24. .798 -12. ,037 -29. .570 1.00 29. .70 MOLB

ATOM 4323 CG GLN 322 25. .974 -11. ,773 -28. .626 1.00 30. .62 MOLB

ATOM 4324 CD GLN 322 27. .157 -11. ,161 -29. .363 1.00 34. .04 MOLB

ATOM 4325 OΞ1 GLN 322 27. .462 -11. ,565 -30. .480 1.00 33. ,81 MOLB

ATOM 4326 NΞ2 GLN 322 27. .832 -10. ,195 -28. .736 1.00 31. ,53 MOLB

ATOM 4327 C GLN 322 22. .377 -12. ,681 -29. .835 1.00 29. .12 MOLB

ATOM 4328 O GLN 322 21. .866 -11. ,634 -30. .248 1.00 28. .70 MOLB

ATOM 4329 N LYS 323 21. .930 -13. ,885 -30. .188 1.00 28. .31 MOLB

ATOM 4330 CA LYS 323 20. .771 -14. .033 -31. .059 1.00 31. .23 MOLB

ATOM 4331 CB LYS 323 21. .148 -14. .802 -32. .343 1.00 35. .14 MOLB

ATOM 4332 CG LYS 323 22. .163 -14. .087 -33. .231 1.00 44. .48 MOLB

ATOM 4333 CD LYS 323 22, .898 -15. .069 -34, .160 1.00 49. .75 MOLB

ATOM 4334 CΞ LYS 323 24, .276 -14. .521 -34. .573 1.00 54, .61 MOLB

ATOM 4335 NZ LYS 323 25, .169 -15. ,571 -35, .187 1.00 53, .77 MOLB

ATOM 4336 C LYS 323 19, .618 -14. ,783 -30. .356 1.00 28. .38 MOLB

ATOM 4337 O LYS 323 18, .668 -15. .189 -31, .016 1.00 29, .97 MOLB

ATOM 4338 N ALA 324 19, .722 -14, .991 -29, .045 1.00 26, .10 MOLB

ATOM 4339 CA ALA 324 18, .697 -15, .717 -28. .278 1.00 26, .68 MOLB

ATOM 4340 CB ALA 324 19, .174 -15. .912 -26, .838 1.00 25, .40 MOLB

ATOM 4341 C ALA 324 17, .364 -14, .957 -28. .284 1.00 28, .89 MOLB

ATOM 4342 O ALA 324 17, .320 -13, .775 -27, .921 1.00 26, .60 MOLB

ATOM 4343 N PRO 325 16, ■ 1 -15, .625 -28, , 8 1.00 29, .47 MOLB

ATOM 4344 CD PRO 325 16, .182 -16, .977 -29, .280 1.00 29, .27 MOLB

ATOM 4345 CA PRO 325 14, .948 -14, .958 -28, .720 1.00 29, .03 MOLB

ATOM 4346 CB PRO 325 14, .007 -16, .054 -29, .249 1.00 30, .30 MOLB

ATOM 4347 CG PRO 325 14, .936 -16, .888 -30, .134 1.00 31, .23 MOLB

ATOM 4348 C PRO 325 14, .536 -14, .464 -27, .345 1.00 27, .84 MOLB

ATOM 4349 O PRO 325 14 .719 -15, .166 -26, .345 1.00 25, .92 MOLB

ATOM 4350 N LΞU 326 13 .993 -13, .241 -27 .294 1.00 26 .70 MOLB

ATOM 4351 CA LΞU 326 13 .562 -12, .664 -26, .038 1.00 25 .92 MOLB

ATOM 4352 CB LΞU 326 14 .763 -12, .005 -25 .311 1.00 23 .93 MOLB

ATOM 4353 CG LΞU 326 15 .531 -10 .898 -26 .078 1.00 24 .62 MOLB

ATOM 4354 CDl LΞU 326 14 .876 -9 .509 -25 .813 1.00 22 .18 MOLB

ATOM 4355 CD2 LΞU 326 16 .990 -10 .851 -25 .565 1.00 23 .67 MOLB

ATOM 4356 C LΞU 326 12 .461 -11 .637 -26 .314 1.00 25 .56 MOLB

ATOM 4357 O LΞU 326 12 .284 -11 .175 -27 .455 1.00 25 .38 MOLB

ATOM 4358 N VAL 327 11 .713 -11 .307 -25 .268 1.00 25 .42 MOLB

ATOM 4359 CA VAL 327 10 .627 -10 .339 -25 .394 1.00 26 .04 MOLB

ATOM 4360 CB VAL 327 9 .254 -10 .951 -24 .966 1.00 26 .22 MOLB

ATOM 4361 CGI VAL 327 8 .180 -9 .855 -24 .958 1.00 26 .49 MOLB

ATOM 4362 CG2 VAL 327 8 .858 -12 .065 -25 .948 1.00 24 .85 MOLB

ATOM 4363 C VAL 327 10 .969 -9 .151 -24 .502 1.00 25 .40 MOLB

ATOM 4364 O VAL 327 11 .389 -9 .333 -23 .364 1.00 24 .72 MOLB ATOM 4365 N ILΞ 328 10.803 -7.939 -25.042 1.00 23.69 MOLB

ATOM 4366 CA ILΞ 328 11.084 -6.706 -24.297 1.00 25.83 MOLB

ATOM 4367 CB ILΞ 328 11.841 -5.689 -25.189 1.00 25.10 MOLB

ATOM 4368 CG2 ILΞ 328 12.094 -4.383 -24.416 1.00 24.94 MOLB

ATOM 4369 CGI ILΞ 328 13.148 -6.314 -25.670 1.00 24.25 MOLB

ATOM 4370 CDl ILΞ 328 13.837 -5.485 -26.765 1.00 30.67 MOLB

ATOM 4371 C ILΞ 328 9.738 -6.097 -23.880 1.00 24.54 MOLB

ATOM 4372 O ILΞ 328 8.825 -5.966 -24.688 1.00 25.53 MOLB

ATOM 4373 N LYS 329 9.598 -5.762 -22.614 1.00 25.69 MOLB

ATOM 4374 CA LYS 329 8.356 -5.178 -22.163 1.00 29.88 MOLB

ATOM 4375 CB LYS 329 7.614 -6.172 -21.262 1.00 30.65 MOLB

ATOM 4376 CG LYS 329 8.337 -6.434 -19.964 1.00 36.57 MOLB

ATOM 4377 CD LYS 329 7.444 -7.245 -19.029 1.00 43.63 MOLB

ATOM 4378 CΞ LYS 329 8.158 -7.684 -17.767 1.00 48.20 MOLB

ATOM 4379 NZ LYS 329 7.438 -8.847 -17.122 1.00 50.70 MOLB

ATOM 4380 C LYS 329 8.566 -3.885 -21.385 1.00 29.44 MOLB

ATOM 4381 O LYS 329 9.669 -3.374 -21.285 1.00 27.03 MOLB

ATOM 4382 N GLY 330 7.471 -3.358 -20.850 1.00 29.50 MOLB

ATOM 4383 CA GLY 330 7.526 -2.176 -20.012 1.00 30.21 MOLB

ATOM 4384 C GLY 330 8.138 -0.892 -20.532 1.00 27.64 MOLB

ATOM 4385 O GLY 330 8.030 -0.575 -21.716 1.00 27.44 MOLB

ATOM 4386 N GLU 331 8.788 -0.173 -19.622 1.00 28.78 MOLB

ATOM 4387 CA GLU 331 9.407 1.126 -19.931 1.00 32.94 MOLB

ATOM 4388 CB GLU 331 10.088 1.700 -18.686 1.00 35.82 MOLB

ATOM 4389 CG GLU 331 9.097 2.013 -17.562 1.00 47.08 MOLB

ATOM 4390 CD GLU 331 9.755 2.657 -16.344 1.00 53.67 MOLB

ATOM 4391 OΞl GLU 331 9.024 3.094 -15.427 1.00 56.80 MOLB

ATOM 4392 OΞ2 GLU 331 11.004 2.719 -16.297 1.00 58.62 MOLB

ATOM 4393 C GLU 331 10.399 1.022 -21.066 1.00 29.84 MOLB

ATOM 4394 O GLU 331 10.444 1.898 -21.930 1.00 27.56 MOLB

ATOM 4395 N THR 332 11.189 -0.055 -21.075 1.00 28.25 MOLB

ATOM 4396 CA THR 332 12.168 -0.260 -22.138 1.00 25.46 MOLB

ATOM 4397 CB THR 332 13.016 -1.543 -21.888 1.00 26.15 MOLB

ATOM 4398 OGl THR 332 13.643 -1.441 -20.621 1.00 27.33 MOLB

ATOM 4399 CG2 THR 332 14.098 -1.710 -22.945 1.00 25.68 MOLB

ATOM 4400 C THR 332 11.469 -0.429 -23.467 1.00 25.08 MOLB

ATOM 4401 O THR 332 11.884 0.131 -24.483 1.00 24.38 MOLB

ATOM 4402 N HIS 333 10.405 -1.231 -23.492 1.00 22.97 MOLB

ATOM 4403 CA HIS 333 9.688 -1.432 -24.751 1.00 22.76 MOLB

ATOM 4404 CB HIS 333 8.544 -2.463 -24.555 1.00 24.77 MOLB

ATOM 4405 CG HIS 333 7.715 -2.687 -25.782 1.00 28.40 MOLB

ATOM 4406 CD2 HIS 333 7.848 -3.578 -26.788 1.00 25.86 MOLB

ATOM 4407 NDl HIS 333 6.642 -1.887 -26.117 1.00 28.66 MOLB

ATOM 4408 CΞl HIS 333 6.155 -2.272 -27.284 1.00 28.81 MOLB

ATOM 4409 NΞ2 HIS 333 6.868 -3.297 -27.715 1.00 30.35 MOLB

ATOM 4410 C HIS 333 9.109 -0.114 -25.285 1.00 23.15 MOLB

ATOM 4411 O HIS 333 9.186 0.189 -26.482 1.00 24.36 MOLB

ATOM 4412 N HIS 334 8.505 0.657 -24.401 1.00 24.62 MOLB

ATOM 4413 CA HIS 334 7.919 1.929 -24.825 1.00 26.63 MOLB

ATOM 4414 CB HIS 334 7.240 2.622 -23.645 1.00 25.58 MOLB

ATOM 4415 CG HIS 334 6.578 3.904 -24.035 1.00 26.44 MOLB

ATOM 4416 CD2 HIS 334 6.984 5.189 -23.908 1.00 27.64 MOLB

ATOM 4417 NDl HIS 334 5.428 3.940 -24.798 1.00 27.35 MOLB

ATOM 4418 CΞl HIS 334 5.161 5.190 -25.132 1.00 31.08 MOLB

ATOM 4419 NΞ2 HIS 334 6.091 5.969 -24.607 1.00 28.82 MOLB ATOM 4420 C HIS 334 8.995 2.859 -25.407 1.00 26.44 MOLB

ATOM 4421 O HIS 334 8.834 3.437 -26.492 1.00 27.05 MOLB

ATOM 4422 N TRP 335 10.086 2.996 -24.663 1.00 26.90 MOLB

ATOM 4423 CA TRP 335 11.200 3.845 -25.087 1.00 27.98 MOLB

ATOM 4424 CB TRP 335 12.379 3.690 -24.120 1.00 28.43 MOLB

ATOM 4425 CG TRP 335 13.595 4.483 -24.549 1.00 28.18 MOLB

ATOM 4426 CD2 TRP 335 13.913 5.812 -24.139 1.00 30.97 MOLB

ATOM 4427 CB2 TRP 335 15.090 6.196 -24.825 1.00 30.50 MOLB

ATOM 4428 CE3 TRP 335 13.309 6.721 -23.259 1.00 28.44 MOLB

ATOM 4429 CDl TRP 335 14.569 4.109 -25.444 1.00 28.40 MOLB

ATOM 4430 NE1 TRP 335 15.474 5.137 -25.613 1.00 31.10 MOLB

ATOM 4431 CZ2 TRP 335 15.676 7.444 -24.658 1.00 32.03 MOLB

ATOM 4432 CZ3 TRP 335 13.898 7.970 -23.093 1.00 33.23 MOLB

ATOM 4433 CH2 TRP 335 15.069 8.318 -23.791 1.00 33.67 MOLB

ATOM 4434 C TRP 335 11.667 3.515 -26.483 1.00 25.66 MOLB

ATOM 4435 O TRP 335 11.742 4.381 -27.342 1.00 25.44 MOLB

ATOM 4436 N LΞU 336 11.983 2.239 -26.721 1.00 26.77 MOLB

ATOM 4437 CA LΞU 336 12.483 1.807 -28.029 1.00 24.90 MOLB

ATOM 4438 CB LΞU 336 12.931 0.328 -27.946 1.00 27.06 MOLB

ATOM 4439 CG LΞU 336 14.102 0.056 -26.987 1.00 28.54 MOLB

ATOM 4440 CDl LΞU 336 14.305 -1.482 -26.851 1.00 30.43 MOLB

ATOM 4441 CD2 LΞU 336 15.406 0.715 -27.522 1.00 24.81 MOLB

ATOM 4442 C LΞU 336 11.456 1.993 -29.138 1.00 26.23 MOLB

ATOM 4443 O LΞU 336 11.806 2.362 -30.271 1.00 25.51 MOLB

ATOM 4444 N THR 337 10.182 1.757 -28.822 1.00 24.86 MOLB

ATOM 4445 CA THR 337 9.129 1.921 -29.826 1.00 27.66 MOLB

ATOM 4446 CB THR 337 7.735 1.495 -29.243 1.00 29.03 MOLB

ATOM 4447 OGl THR 337 7.827 0.145 -28.756 1.00 29.23 MOLB

ATOM 4448 CG2 THR 337 6.637 1.601 -30.309 1.00 28.05 MOLB

ATOM 4449 C THR 337 9.074 3.381 -30.257 1.00 25.58 MOLB

ATOM 4450 O THR 337 9.064 3.675 -31.446 1.00 27.29 MOLB

ATOM 4451 N GLU 338 9.060 4.293 -29.288 1.00 25.34 MOLB

ATOM 4452 CA GLU 338 9.016 5.722 -29.616 1.00 26.75 MOLB

ATOM 4453 CB GLU 338 8.893 6 • 557 — o ■ 1 1.00 27.93 MOLB

ATOM 4454 CG GLU 338 7.497 6.531 -27.711 1.00 29.62 MOLB

ATOM 4455 CD GLU 338 6.428 6.964 -28.705 1.00 31.22 MOLB

ATOM 4456 OΞl GLU 338 5.659 6.103 -29.186 1.00 33.57 MOLB

ATOM 4457 OΞ2 GLU 338 6.386 8.168 -29.038 1.00 27.12 MOLB

ATOM 4458 C GLU 338 10.267 6.161 -30.397 1.00 27.94 MOLB

ATOM 4459 O GLU 338 10.174 7.011 -31.285 1.00 28.89 MOLB

ATOM 4460 N ARG 339 11.419 5.573 -30.069 1.00 28.64 MOLB

ATOM 4461 CA ARG 339 12.669 5.917 -30.727 1.00 27.28 MOLB

ATOM 4462 CB ARG 339 13.843 5.551 -29.816 1.00 27.99 MOLB

ATOM 4463 CG ARG 339 13.889 6.380 -28.519 1.00 29.38 MOLB

ATOM 4464 CD ARG 339 14.575 7.732 -28.770 1.00 29.97 MOLB

ATOM 4465 NΞ ARG 339 16.019 7.539 -28.872 1.00 32.64 MOLB

ATOM 4466 CZ ARG 339 16.858 8.360 -29.503 1.00 34.04 MOLB

ATOM 4467 NH1 ARG 339 18.153 8.079 -29.516 1.00 27.87 MOLB

ATOM 4468 NH2 ARG 339 16.411 9.445 -30.138 1.00 29.92 MOLB

ATOM 4469 C ARG 339 12.810 5.235 -32.089 1.00 29.99 MOLB

ATOM 4470 O ARG 339 13.828 5.380 -32.767 1.00 28.29 MOLB

ATOM 4471 N GLY 340 11.792 4.483 -32.497 1.00 27.56 MOLB

ATOM 4472 CA GLY 340 11.871 3.833 -33.790 1.00 28.61 MOLB

ATOM 4473 C GLY 340 12.700 2.559 -33.845 1.00 29.14 MOLB

ATOM 4474 O GLY 340 13.082 2.122 -34.931 1.00 29.97 MOLB ATOM 4475 N VAL 341 12.975 1..951 -32.699 1.00 29.28 MOLB

ATOM 4476 CA VAL 341 13.765 0..710 -32.683 1. 00 30.93 MOLB

ATOM 4477 CB VAL 341 14.695 0..645 ■31.438 1.00 32.19 MOLB

ATOM 4478 CGI VAL 341 15.503 -0..668 -31.449 1.00 31.29 MOLB

ATOM 4479 CG2 VAL 341 15.636 1..845 -31.434 1.00 31.07 MOLB

ATOM 4480 C VAL 341 12.805 -0..484 ■32.659 1.00 32.04 MOLB

ATOM 4481 O VAL 341 11.920 -0..574 -31.798 1.00 31.55 MOLB

ATOM 4482 N ASN 342 12.975 -1.378 ■33.620 1.00 32.98 MOLB

ATOM 4483 CA ASN 342 12.136 -2.563 ■33.736 1.00 35.56 MOLB

ATOM 4484 CB ASN 342 12.432 -3.293 ■35.059 1.00 38.32 MOLB

ATOM 4485 CG ASN 342 11.562 -4.528 -35.246 1.00 44.51 MOLB

ATOM 4486 OD1 ASN 342 10.740 -4.603 -36.156 1.00 49.14 MOLB

ATOM 4487 ND2 ASN 342 11.740 -5.499 -34.376 1.00 48.70 MOLB

ATOM 4488 C ASN 342 12.389 -3.490 -32.549 1.00 34.52 MOLB

ATOM 4489 O ASN 342 13.530 -3.876 -32.272 1.00 36.74 MOLB

ATOM 4490 N THR 343 11.331 -3.824 -31.826 1.00 32.43 MOLB

ATOM 4491 CA THR 343 11.459 -4.690 -30.666 1.00 31.84 MOLB

ATOM 4492 CB THR 343 10.574 -4.196 -29.509 1.00 32.27 MOLB

ATOM 4493 OGl THR 343 9.203 -4.149 -29.937 1.00 30.30 MOLB

ATOM 4494 CG2 THR 343 10.999 -2.787 -29.075 1. 00 31.60 MOLB

ATOM 4495 C THR 343 11.070 -6.141 -30.985 1.00 33.06 MOLB

ATOM 4496 O THR 343 11.625 -7, 069 -30.399 1.00 32.40 MOLB

ATOM 4497 N SΞR 344 10.136 -6, 333 -31.918 1.00 32.30 MOLB

ATOM 4498 CA SΞR 344 9.672 -7.672 -32.239 1.00 35.00 MOLB

ATOM 4499 CB SΞR 344 8.399 -7.614 -33.113 1.00 33.95 MOLB

ATOM 4500 OG SΞR 344 8.679 -7.010 -34.369 1.00 40.16 MOLB

ATOM 4501 C SΞR 344 10.727 -8.559 -32.891 1.00 34.46 MOLB

ATOM 4502 O SΞR 344 10.630 -9.787 -32.836 1.00 34.93 MOLB

ATOM 4503 N SΞR 345 11.736 -7.948 -33.501 1.00 34.83 MOLB

ATOM 4504 CA SΞR 345 12.814 -8.698 -34.149 1.00 36.38 MOLB

ATOM 4505 CB SΞR 345 13.809 -7.728 -34.798 1.00 38.36 MOLB

ATOM 4506 OG SΞR 345 14.437 -6.939 -33.803 1. 00 42.59 MOLB

ATOM 4507 C SΞR 345 13.552 -9.562 -33.115 1.00 35.00 MOLB

ATOM 4508 O SER 345 14.048 -10.635 -33.427 1.00 35_*87 MOLB

ATOM 4509 N TYR 346 13.634 -9.068 -31.888 1.00 32.11 MOLB

ATOM 4510 CA TYR 346 14.269 -9.810 -30.804 1.00 32.04 MOLB

ATOM 4511 CB TYR 346 14.319 -8.945 -29.550 1.00 31.90 MOLB

ATOM 4512 CG TYR 346 15.517 -8.020 -29.509 1.00 33.51 MOLB

ATOM 4513 CDl TYR 346 16.755 -8.496 -29.086 1.00 33.89 MOLB

ATOM 4514 CΞl TYR 346 17.870 -7.674 -29.046 1.00 35.17 MOLB

ATOM 4515 CD2 TYR 346 15.415 -6.684 -29.899 1.00 34.90 MOLB

ATOM 4516 CΞ2 TYR 346 16.536 -5.838 -29.862 1.00 36.47 MOLB

ATOM 4517 CZ TYR 346 17.759 -6.355 -29.430 1.00 35.81 MOLB

ATOM 4518 OH TYR 346 18.889 -5.579 -29.359 1.00 36.17 MOLB

ATOM 4519 C TYR 346 13.495 -11.081 -30.461 1.00 32.53 MOLB

ATOM 4520 O TYR 346 14.080 -12.078 -30.028 1.00 28.94 MOLB

ATOM 4521 N SΞR 347 12.177 -11.031 -30.658 1.00 31.22 MOLB

ATOM 4522 CA SΞR 347 11.298 -12.137 -30.298 1.00 37.91 MOLB

ATOM 4523 CB SΞR 347 9.932 -11.605 -29.859 1.00 38.25 MOLB

ATOM 4524 OG SΞR 347 10.064 -10.450 -29.038 1.00 43.02 MOLB

ATOM 4525 C SΞR 347 11.049 -13.144 -31.393 1.00 40.92 MOLB

ATOM 4526 O SΞR 347 10.650 -14.264 -31.104 1.00 41.70 MOLB

ATOM 4527 N VAL 348 11.259 -12.737 -32.638 1.00 43.33 MOLB

ATOM 4528 CA VAL 348 11.010 -13.605 -33.781 1.00 49.62 MOLB

ATOM 4529 CB VAL 348 10.239 -12.831 -34.880 1.00 51.49 MOLB ATOM 4530 CGI VAL 348 9.684 -13.793 -35.908 1.00 56.84 MOLB

ATOM 4531 CG2 VAL 348 9.111 -12.027 -34.257 1.00 55.36 MOLB

ATOM 4532 C VAL 348 12.291 -14.174 -34.379 1.00 50.94 MOLB

ATOM 4533 O VAL 348 12.241 -14.990 -35.300 1.00 52.29 MOLB

ATOM 4534 N ARG 349 13.440 -13.766 -33.845 1.00 50.68 MOLB

ATOM 4535 CA ARG 349 14.719 -14.242 -34.362 1.00 49.28 MOLB

ATOM 4536 CB ARG 349 15.849 -13.307 -33.913 1.00 46.31 MOLB

ATOM 4537 CG ARG 349 16.178 -13.323 -32.425 1.00 38.37 MOLB

ATOM 4538 CD ARG 349 17.069 -12.126 -32.083 1.00 38.74 MOLB

ATOM 4539 NΞ ARG 349 17.505 -12.161 -30.695 1.00 35.16 MOLB

ATOM 4540 CZ ARG 349 18.481 -11.414 -30.186 1.00 34.11 MOLB

ATOM 4541 NH1 ARG 349 18.809 -11.548 -28.902 1.00 25.90 MOLB

ATOM 4542 NH2 ARG 349 19.122 -10.531 -30.955 1.00 33.90 MOLB

ATOM 4543 C ARG 349 15.044 -15.685 -33.969 1.00 50.33 MOLB

ATOM 4544 O ARG 349 16.076 -16.185 -34.450 1.00 51.62 MOLB

ATOM 4545 OXT ARG 349 14.282 -16.303 -33.198 1.00 51.71 MOLB

ATOM 4546 P P04 400 29.424 -2.233 12.241 1.00 61.80 PHOA

ATOM 4547 01 P04 400 29.968 -2.111 10.857 1.00 58.21 PHOA

ATOM 4548 02 P04 400 29.837 -3.547 12.818 1.00 57.97 PHOA

ATOM 4549 03 P04 400 27.928 -2.156 12.209 1.00 54.81 PHOA

ATOM 4550 04 P04 400 29.963 -1.119 13.079 1.00 53.44 PHOA

ATOM 4551 P P04 400 28.992 -2.264 -10.204 1.00 59.91 PHOB

ATOM 4552 01 P04 400 29.374 -3.464 -11.002 1.00 52.40 PHOB

ATOM 4553 02 P04 400 29.399 -2.470 -8.785 1.00 56.82 PHOB

ATOM 4554 03 P04 400 27.512 -2.059 -10.280 1.00 52.39 PHOB

ATOM 4555 04 P04 400 29.681 -1.054 -10.746 1.00 57.12 PHOB

ATOM 4556 OH2 TIP s 1 29.223 -5.758 -9.130 1.00 54.97 S

ATOM 4557 OH2 TIP s 2 9.814 -23.797 -25.175 1.00 26.41 S

ATOM 4558 OH2 TIP s 3 40.000 2.919 -31.199 1.00 27.26 S

ATOM 4559 OH2 TIP s 4 22.045 -13.459 27.075 1.00 31.86 S

ATOM 4560 OH2 TIP s 5 14.393 -14.462 -18.914 1.00 29.87 S

ATOM 4561 OH2 TIP s 6 15.225 -22.124 -21.799 1.00 33.43 S

ATOM 4562 OH2 TIP s 7 17.737 -19.341 -26.994 1.00 25.39 S

ATOM 4563 OH2 TIP s 8 29.109 - 5 • 867 -29.230 1.00 32.38 s

ATOM 4564 OH2 TIP s 9 14.490 1.130 -19.827 1.00 29.34 s

ATOM 4565 OH2 TIP s 10 49.730 4.209 -27.138 1.00 32.35 s

ATOM 4566 OH2 TIP s 11 38.783 -14.870 36.871 1.00 32.02 s

ATOM 4567 OH2 TIP s 13 17.202 -31.071 -25.008 1.00 29.64 s

ATOM 4568 OH2 TIP s 14 45.574 -4.100 -28.258 1.00 27.61 s

ATOM 4569 OH2 TIP s 15 29.600 1.161 31.174 1.00 31.36 s

ATOM 4570 OH2 TIP s 16 14.023 -12.919 -16.656 1.00 29.35 s

ATOM 4571 OH2 TIP s 17 25.366 4.709 -18.618 1.00 33.23 s

ATOM 4572 OH2 TIP s 18 7.925 -1.800 -30.739 1.00 28.91 s

ATOM 4573 OH2 TIP s 19 7.824 10.060 -27.868 1.00 29.19 s

ATOM 4574 OH2 TIP s 20 42.652 3.671 -31.374 1.00 27.46 s

ATOM 4575 OH2 TIP s 21 6.086 -11.218 29.632 1.00 31.23 s

ATOM 4576 OH2 TIP s 22 48.529 -9.373 -23.457 1.00 43.55 s

ATOM 4577 OH2 TIP s 23 50.075 1.369 25.468 1.00 46.29 s

ATOM 4578 OH2 TIP s 24 40.553 9.484 -34.674 1.00 30.45 s

ATOM 4579 OH2 TIP s 25 54.936 -5.091 17.256 1.00 32.75 s

ATOM 4580 OH2 TIP s 26 14.135 -3.242 21.697 1.00 33.95 s

ATOM 4581 OH2 TIP s 27 11.489 -12.103 -17.000 1.00 34.42 s

ATOM 4582 OH2 TIP s 28 15.050 -31.150 -23.182 1.00 33.38 s

ATOM 4583 OH2 TIP s 29 45.708 -2.793 30.333 1.00 33.99 s

ATOM 4584 OH2 TIP s 30 41.595 -10.189 33.345 1.00 29.43 s ATOM 4585 OH2 TIP s 31 16,.589 12,.060 20.745 1.,00 31,.94 s

ATOM 4586 OH2 TIP s 32 9, .512 -9, .181 21.356 1. .00 33, .77 s

ATOM 4587 OH2 TIP s 33 31, .734 -17. .820 27.794 1. .00 34, .87 s

ATOM 4588 OH2 TIP s 34 9, .160 -1, .468 16.989 1. ,00 32, .60 s

ATOM 4589 OH2 TIP s 35 15, .612 -17, .837 26.198 1. ,00 31, .14 s

ATOM 4590 OH2 TIP s 36 47, .923 -8, .189 -2.397 1. ,00 34, .10 s

ATOM 4591 OH2 TIP s 37 45, .370 7, .5 53344 -10.590 1. .00 36, .49 s

ATOM 4592 OH2 TIP s 38 12, .603 -16, .701 19.632 1. .00 32, .85 s

ATOM 4593 OH2 TIP s 39 33.808 - ■ 00.. ,552266 17.559 1. .00 34, .69 s

ATOM 4594 OH2 TIP s 40 18.545 19. .556 23.953 1. .00 37, .26 s

ATOM 4595 OH2 IP s 41 30.921 -16. ,647 30.120 1. ,00 33, .46 s

ATOM 4596 OH2 TIP s 42 9.303 4 4.. .444400 21.250 1. ,00 33, .65 s

ATOM 4597 OH2 TIP s 43 42.415 --1111.. .661166 -20.131 1. .00 29, .93 s

ATOM 4598 OH2 TIP s 44 25.348 --1144.. .882200 -10.818 1. ,00 36, .14 s

ATOM 4599 OH2 TIP s 45 34.131 1 122.. .667711 29.935 1. ,00 37, .15 s

ATOM 4600 OH2 TIP s 46 28.452 1 122.. ,330033 -20.695 1. ,00 36, .14 s

ATOM 4601 OH2 TIP s 47 20.029 9. ,381 -30.954 1. ,00 35, .31 s

ATOM 4602 OH2 TIP s 48 8.063 0. ,548 32,453 1. ,00 35, .73 s

ATOM 4603 OH2 TIP s 49 18.729 0. ,559 33.181 1. ,00 38, .08 s

ATOM 4604 OH2 TIP s 50 32.137 1 177.. .008877 -27.472 1. ,00 29, .43 s

ATOM 4605 OH2 TIP s 51 27.658 1 100.. .774477 12.804 1. ,00 39, .94 s

ATOM 4606 OH2 TIP s 52 50.303 - -11.. .448844 -25.015 1. .00 32, .10 s

ATOM 4607 OH2 TIP s 53 12.421 - -1166.. .223344 16.037 1. ,00 37, .94 s

ATOM 4608 OH2 TIP s 54 15.168 1 144.. ,557755 21.463 1. ,00 35, .21 s

ATOM 4609 OH2 TIP s 55 33.684 - -44,. . ,663366 19.505 1. ,00 39, .17 s

ATOM 4610 OH2 TIP s 56 53.858 5 5,. . ,665566 -18.737 1. .00 37, .98 s

ATOM 4611 OH2 TIP s 57 54.918 - -55.. ,449999 21.759 1. .00 41, .95 s

ATOM 4612 OH2 TIP s 58 18.405 - -33.. ,774488 -31.181 1. .00 36, .07 s

ATOM 4613 OH2 TIP s 59 27.855 - -22.. .663399 39.061 1. .00 40, .19 s

ATOM 4614 OH2 TIP s 60 56.833 5 5.. .556677 -9.946 1, .00 37 .98 s

ATOM 4615 OH2 TIP s 61 50.947 5 5.. .559911 19.193 1, .00 37, .47 s

ATOM 4616 OH2 IP s 62 27.964 - -44.. .339988 -13.192 1, .00 33, .56 s

ATOM 4617 OH2 TIP s 63 54.783 --66.. ,661133 11.621 1, 00 36.49 s

ATOM 4618 OH2 TIP s 64 44.465 - -1144.. 13j3θ8 12.692 1. 00 38.37 s

ATOM 4619 OH2 TIP s 65 28.685 00,. .110044 15.271 1, 00 38.46 s

ATOM 4620 OH2 TIP s 66 44.937 3 3,. .001133 19.575 1, 00 39.18 s

ATOM 4621 OH2 TIP s 67 50.003 --66,. .228866 27.405 1, 00 35.53 s

ATOM 4622 OH2 TIP s 68 56.649 - -00.. .559911 -11.114 1, 00 40.55 s

ATOM 4623 OH2 TIP s 69 18.842 1111.. .772288 -30.415 1, .00 38. ,54 s

ATOM 4624 OH2 TIP s 70 12.754 15, .836 23.561 1. ,00 35. ,80 s

ATOM 4625 OH2 TIP s 71 21.831 11, .826 27.786 1, .00 35. .59 s

ATOM 4626 OH2 TIP s 72 15.500 -3, .596 14.631 1, .00 38, .80 s

ATOM 4627 OH2 TIP s 73 14.646 14, .016 14.259 1. .00 36, .57 s

ATOM 4628 OH2 TIP s 74 8.561 -4, .103 32.971 1, .00 38, .09 s

ATOM 4629 OH2 TIP s 75 4.842 6, .004422 -31.888 1, .00 35, .80 s

ATOM 4630 OH2 TIP s 76 43.584 -12, .887 18.052 1, .00 34, .51 s

ATOM 4631 OH2 TIP s 77 13.297 -26, .297 28.035 1, .00 33. .40 s

ATOM 4632 OH2 TIP s 78 26.298 -16, .822 22.946 1, .00 42, .78 s

ATOM 4633 OH2 TIP s 79 24.501 -8, .760 20.477 1, .00 38, .60 s

ATOM 4634 OH2 TIP s 80 35.404 3.296 34.902 1 1,. .00 40, .83 s

ATOM 4635 OH2 TIP s 81 12.677 -1.167 18.276 11,. .00 41, .37 s

ATOM 4636 OH2 TIP s 82 3.928 -6.905 20.136 11,. .00 37, .56 s

ATOM 4637 OH2 TIP s 83 54.939 -1.715 -9, .380 11,. .00 37, .02 s

ATOM 4638 OH2 TIP s 84 48.023 -9.956 30.243 11,. .00 46, .19 s

ATOM 4639 OH2 TIP s 85 30.343 -16.801 36.719 11,. .00 35, .44 s ATOM 4640 OH2 TIP s 86 20.793 1.,646 -16.,606 1.00 39.,09 s

ATOM 4641 OH2 TIP s 87 49.022 -13. ,283 -17. ,025 1.00 36. ,77 s

ATOM 4642 OH2 TIP s 88 55.958 -3. ,092 -7. .193 1.00 35. ,98 s

ATOM 4643 OH2 TIP s 89 33.184 -1. ,488 -33. .087 1.00 37. ,03 s

ATOM 4644 OH2 TIP s 90 32.506 11. ,952 -34. ,874 1.00 38, ,13 s

ATOM 4645 OH2 TIP s 91 48.926 0. ,572 4. .683 1.00 42. .51 s

ATOM 4646 OH2 TIP s 92 8.877 1. ,881 -33. ,525 1.00 39. ,83 s

ATOM 4647 OH2 TIP s 93 39.138 -8. .956 33. ,114 1.00 32. ,72 s

ATOM 4648 OH2 TIP s 94 43.544 -9. ,787 -17. .424 1.00 34. ,31 s

ATOM 4649 OH2 TIP s 95 10.023 -17. ,535 -21. .726 1.00 31. ,73 s

ATOM 4650 OH2 TIP s 96 18.516 -34. ,573 -29. .651 1.00 33. .10 s

ATOM 4651 OH2 TIP s 97 46.718 -6. ,236 -27. .486 1.00 41. .49 s

ATOM 4652 OH2 TIP s 98 54.107 -3. ,296 23. .184 1.00 38. .56 s

ATOM 4653 OH2 TIP s 99 41.696 -0. .379 -6. .618 1.00 42. .21 s

ATOM 4654 OH2 TIP s 100 52.967 10. .678 -24. .081 1.00 37. .03 s

ATOM 4655 OH2 TIP s 101 16.004 -20. .439 -29. .587 1.00 41, .67 s

ATOM 4656 OH2 TIP s 102 58.595 5. .297 -7. .730 1.00 37. ,73 s

ATOM 4657 OH2 TIP s 103 4.906 -0. .276 -24. .596 1.00 36. .55 s

ATOM 4658 OH2 TIP s 104 49.235 16. .605 -22. .136 1.00 43. .98 s

ATOM 4659 OH2 TIP s 105 15.237 8. .211 -17. .506 1.00 41. .55 s

ATOM 4660 OH2 TIP s 106 31.542 -2. .573 15. .304 1.00 38. .37 s

ATOM 4661 OH2 TIP s 107 9.043 2. .805 34. .726 1.00 42, .23 s

ATOM 4662 OH2 TIP s 108 27.727 -1. .650 -37. .442 1.00 43, .82 s

ATOM 4663 OH2 TIP s 109 33.192 -7, .381 -30, .680 1.00 38, .59 s

ATOM 4664 OH2 TIP s 110 47.378 -10, .938 6, .935 1.00 42, .88 s

ATOM 4665 OH2 TIP s 111 22.002 27, .982 27, .123 1.00 33. .33 s

ATOM 4666 OH2 TIP s 112 9.426 -0, .047 18, .843 1.00 38, .04 s

ATOM 4667 OH2 IP s 113 4.879 -0, .568 26, .444 1.00 40, .40 s

ATOM 4668 OH2 TIP s 114 53.815 -6, .207 19, .442 1.00 38, .46 s

ATOM 4669 OH2 TIP s 115 33.011 11, .463 32, .531 1.00 39, .95 s

ATOM 4670 OH2 TIP s 116 12.621 -0, .861 -16, .631 1.00 39, .22 s

ATOM 4671 OH2 IP s 117 10.461 7, .081 -21, .438 1.00 34, .52 s

ATOM 4672 OH2 TIP s 118 14.060 1, .380 -17, .007 1.00 39, .84 s

ATOM 4673 OH2 TIP s 119 26.641 2, 33, _* 169 1.00 38, .68

ATOM 4674 OH2 TIP s 120 43.992 -11, .927 -26, .083 1.00 45, .30 s

ATOM 4675 OH2 TIP s 121 38.451 17, .148 -34, .077 1.00 42, .27 s

ATOM 4676 OH2 IP s 122 45.969 -23, .051 28, .386 1.00 40, ,49 s

ATOM 4677 OH2 TIP s 123 20.500 -5, .057 -13, .507 1.00 43, ,14 s

ATOM 4678 OH2 TIP s 124 56.727 -7, .528 13, .454 1.00 45, ,12 s

ATOM 4679 OH2 IP s 125 41.155 12, .880 17, .005 1.00 47. .03 s

ATOM 4680 OH2 TIP s 126 16.068 10, .668 18, .297 1.00 40, .34 s

ATOM 4681 OH2 TIP s 127 11.073 7, .498 23, .069 1.00 36, .92 s

ATOM 4682 OH2 TIP s 128 55.765 -0 .369 19 .342 1.00 40, .05 s

ATOM 4683 OH2 IP s 129 31.267 -2 .191 -13 .192 1.00 36, .53 s

ATOM 4684 OH2 TIP s 130 18.118 15 .247 28 .142 1.00 38, .08 s

ATOM 4685 OH2 TIP s 131 48.925 15 .673 -26 .530 1.00 41, .69 s

ATOM 4686 OH2 IP s 132 42.803 0 .732 -10, .128 1.00 38, .87 s

ATOM 4687 OH2 IP s 133 44.171 .966 22 .348 1.00 33, .63 s

ATOM 4688 OH2 TIP s 134 38.660 -17 .268 -18 .578 1.00 43, .23 s

ATOM 4689 OH2 TIP s 135 13.280 10 .298 18 .878 1.00 37, .57 s

ATOM 4690 OH2 TIP s 136 19.981 28 .432 25 .363 1.00 41, .60 s

ATOM 4691 OH2 TIP s 137 31.763 -12 .095 -29 .382 1.00 46, .58 s

ATOM 4692 OH2 TIP s 138 29.062 -22 .010 29 .753 1.00 42, .66 s

ATOM 4693 OH2 TIP s 139 18.261 -17 .253 -32 .808 1.00 43, .33 s

ATOM 4694 OH2 TIP s 140 18.337 -12 .450 32 .787 1.00 39 .13 s ATOM 4695 OH2 TIP s 141 34.359 -8.734 37.010 1.00 40.86 S

ATOM 4696 OH2 TIP s 142 9.296 -0.588 34.242 1.00 45.40 S

ATOM 4697 OH2 TIP s 143 51.534 -10.419 7.015 1.00 49.77 S

ATOM 4698 OH2 TIP s 144 54.487 -6.616 -4.869 1.00 43.88 S

ATOM 4699 OH2 TIP s 145 26.645 -0.172 33.765 1.00 41.93 S

ATOM 4700 OH2 TIP s 146 9.285 -0.641 -32.475 1.00 35.08 S

ATOM 4701 OH2 TIP s 147 40.474 -13.026 -21.128 1.00 42.43 S

ATOM 4702 OH2 TIP s 148 13.385 7.798 17.322 1.00 44.19 S

ATOM 4703 OH2 TIP s 149 41.397 7.115 -35.566 1.00 43.27 S

ATOM 4704 OH2 TIP s 150 13.732 -10.645 19.558 1.00 45.14 S

ATOM 4705 OH2 TIP s 151 8.532 -6.002 23.140 1.00 41.09 S

ATOM 4706 OH2 TIP s 152 16.459 -3.721 -33.110 1.00 40.36 S

ATOM 4707 OH2 TIP s 153 15.918 0.965 16.533 1.00 42.49 S

ATOM 4708 OH2 TIP s 154 39.232 -1.731 -6.515 1.00 38.86 S

ATOM 4709 OH2 TIP s 155 33.744 1.999 32.692 1.00 45.85 S

ATOM 4710 OH2 TIP s 156 25.133 -1.402 -17.444 1.00 40.35 S

ATOM 4711 OH2 TIP s 157 37.864 -15.260 -28.320 1.00 44.34 S

ATOM 4712 OH2 TIP s 158 8.342 -3.153 35.444 1.00 41.95 S

ATOM 4713 OH2 TIP s 159 34.641 -21.189 -14.471 1.00 52.18 S

ATOM 4714 OH2 TIP s 160 6.134 -5.016 21.949 1.00 42.55 S

ATOM 4715 OH2 TIP s 161 36.714 -19.473 -22.592 1.00 44.10 S

ATOM 4716 OH2 TIP s 162 53.890 9.264 -12.360 1.00 41.82 S

ATOM 4717 OH2 TIP s 163 28.387 -19.144 -33.194 1.00 51.03 S

ATOM 4718 OH2 TIP s 164 16.502 17.407 30.096 1.00 38.70 S

ATOM 4719 OH2 TIP s 165 39.978 -6.747 35.221 1.00 50.14 s

ATOM 4720 OH2 TIP s 166 26.095 -6.410 -31.058 1.00 42.17 s

ATOM 4721 OH2 TIP s 167 20.489 16.381 29.032 1.00 36.56 s

ATOM 4722 OH2 TIP s 168 19.264 9.190 -33.442 1.00 44.74 s

ATOM 4723 OH2 TIP s 169 33.160 -3.603 35.070 1.00 41.54 s

ATOM 4724 OH2 TIP s 170 26.269 -3.977 -32.000 1.00 39.42 s

ATOM 4725 OH2 TIP s 171 16.868 -14.530 32.311 1.00 42.67 s

ATOM 4726 OH2 TIP s 172 41.719 -7.217 6.259 1.00 38.89 s

ATOM 4727 OH2 TIP s 173 31.934 -5.294 37.150 1.00 53.42 s

ATOM 4728 OH2 TIP s 174 49.294 -12.991 1.00 45.54 s

ATOM 4729 OH2 TIP s 175 17.692 -12.315 35.109 1.00 39.70 s

ATOM 4730 OH2 TIP s 176 35.324 -1.236 -21.022 1.00 44.50 s

ATOM 4731 OH2 TIP s 177 40.676 0.667 -33.037 1.00 50.37 s

ATOM 4732 OH2 TIP s 178 45.483 5.957 19.971 1.00 42.37 s

ATOM 4733 OH2 TIP s 179 41.624 -6.029 8.807 1.00 45.85 s

ATOM 4734 OH2 TIP s 180 42.053 6.452 23.159 1.00 46.24 s

ATOM 4735 OH2 TIP s 181 54.379 -2.719 -19.639 1.00 50.79 s

ATOM 4736 OH2 TIP s 182 23.816 -14.128 36.732 1.00 47.11 s

ATOM 4737 OH2 TIP s 183 11.803 -9.790 -15.508 1.00 42.72 s

ATOM 4738 OH2 TIP s 184 41.489 -23.444 36.293 1.00 48.15 s

ATOM 4739 OH2 TIP s 185 31.207 -23.430 31.901 1.00 40.27 s

ATOM 4740 OH2 TIP s 186 23.814 -17.111 30.138 1.00 37.75 s

ATOM 4741 OH2 TIP s 187 44.958 4.002 29.661 1.00 46.08 s

ATOM 4742 OH2 TIP s 188 15.162 -1.341 37.384 1.00 49.78 s

ATOM 4743 OH2 TIP s 189 39.197 -10.148 36.463 1.00 41.86 s

ATOM 4744 OH2 TIP s 190 25.193 -2.525 19.139 1.00 43.74 s

ATOM 4745 OH2 TIP s 191 37.481 15.737 24.803 1.00 52.53 s

ATOM 4746 OH2 TIP s 192 42.563 -7.233 12.208 1.00 40.91 s

ATOM 4747 OH2 TIP s 193 44.257 16.862 -19.541 1.00 46.68 s

ATOM 4748 OH2 TIP s 194 51.649 2.630 -4.824 1.00 45.57 s

ATOM 4749 OH2 TIP s 195 16.976 -9.044 -14.981 1.00 43.16 s ATOM 4750 OH2 TIP s 196 20.446 -4.972 18.342 1.00 42.74 S

ATOM 4751 OH2 TIP s 197 15.594 4.418 -21.129 1.00 39.50 S

ATOM 4752 OH2 TIP s 198 15.089 19.630 29.756 1.00 38.83 S

ATOM 4753 OH2 TIP s 199 48.117 3.633 -4.493 1.00 48.54 S

ATOM 4754 OH2 TIP s 200 45.153 15.780 -27.394 1.00 48.45 S

ATOM 4755 OH2 TIP s 201 50.849 -18.618 26.161 1.00 49.22 S

ATOM 4756 OH2 IP s 202 56.801 -3.193 18.411 1.00 49.32 s

ATOM 4757 OH2 TIP s 203 20.644 -18.454 -30.519 1.00 47.35 s

ATOM 4758 OH2 TIP s 204 3.800 -6.747 33.514 1.00 44.11 s

ATOM 4759 OH2 TIP s 205 47.334 -0.773 29.556 1.00 41.33 s

ATOM 4760 OH2 TIP s 206 47.087 -9.949 -0.370 1.00 41.92 s

ATOM 4761 OH2 TIP s 207 25.657 10.324 -34.697 1.00 46.30 s

ATOM 4762 OH2 TIP s 208 37.500 -6.358 16.115 1.00 52.65 s

ATOM 4763 OH2 TIP s 209 5.294 3.399 22.809 1.00 45.66 s

ATOM 4764 OH2 TIP s 210 40.578 4.642 -34.529 1.00 44.63 s

ATOM 4765 OH2 TIP s 211 19.038 17.741 31.382 1.00 49.02 s

ATOM 4766 OH2 TIP s 212 13.553 -19.694 -28.202 1.00 39.93 s

ATOM 4767 OH2 TIP s 213 42.907 9.649 -10.794 1.00 47.18 s

ATOM 4768 OH2 TIP s 214 15.215 -1.158 -35.431 1.00 46.25 s

ATOM 4769 OH2 TIP s 215 3.420 -0.113 -28.164 1.00 46.41 s

ATOM 4770 OH2 TIP s 216 45.432 17.953 -33.322 1.00 44.30 s

ATOM 4771 OH2 TIP s 217 34.354 -4.085 -33.932 1.00 54.47 s

ATOM 4772 OH2 TIP s 218 4.705 -4.232 -20.878 1.00 42.80 s

ATOM 4773 OH2 TIP s 219 57.571 .7.707 -11.384 1.00 47.47 s

ATOM 4774 OH2 TIP s 220 41.835 0.620 -4.305 1.00 49.99 s

ATOM 4775 OH2 TIP s 221 9.150 -8.672 23.099 1.00 42.68 s

ATOM 4776 OH2 TIP s 222 7.118 -12.319 -19.541 1.00 51.54 s

ATOM 4777 OH2 TIP s 223 49.795 -8.410 -26.480 1.00 46.91 s

ATOM 4778 OH2 TIP s 224 54.788 -8.062 -16.875 1.00 48.14 s

ATOM 4779 OH2 TIP s 225 18.880 -10.927 -12.470 1.00 50.01 s

ATOM 4780 OH2 TIP s 226 57.224 1.158 17.431 1.00 51.22 s

ATOM 4781 OH2 TIP s 227 16.785 1.159 35.206 1.00 50.01 s

ATOM 4782 OH2 TIP s 228 20.438 14.104 34.827 1.00 47.18 s

ATOM 4783 OH2 TIP s 229 55.890 —9_*892 -14.672 1.00 50.01 s

ATOM 4784 OH2 TIP s 230 50.200 2.658 5.819 1.00 46.33 s

ATOM 4785 OH2 TIP s 231 50.134 -7.706 -23.099 1.00 49.65 s

ATOM 4786 OH2 TIP s 232 19.631 3.559 35.642 1.00 51.09 s

ATOM 4787 OH2 TIP s 233 21.068 -7.114 19.316 1.00 42.89 s

ATOM 4788 OH2 TIP s 234 19.042 -6.374 -34.121 1.00 48.26 s

ATOM 4789 OH2 TIP s 235 56.197 -9.165 19.793 1.00 52.84 s

ATOM 4790 OH2 TIP s 236 49.759 -3.330 29.216 1.00 55.05 s

ATOM 4791 OH2 TIP s 237 47.739 -13.777 6.720 1.00 61.44 s

ATOM 4792 OH2 TIP s 238 45.765 -14.272 -17.990 1.00 48.54 s

ATOM 4793 OH2 TIP s 239 21.229 1.758 15.387 1.00 49.68 s

ATOM 4794 OH2 TIP s 240 31.742 -25.335 -20.910 1.00 47.84 s

ATOM 4795 OH2 IP s 241 38.826 -21.220 37.099 1.00 48.94 s

ATOM 4796 OH2 TIP s 242 39.465 -4.593 8.605 1.00 48.27 s

ATOM 4797 OH2 TIP s 243 23.292 -8.153 13.856 1.00 57.26 s

ATOM 4798 OH2 TIP s 244 40.499 -20.874 28.798 1.00 60.86 s

ATOM 4799 OH2 TIP s 245 11.719 7.234 20.600 1.00 52.76 s

ATOM 4800 OH2 TIP s 246 24.878 -30.539 -18.749 1.00 53.52 s

ATOM 4801 OH2 TIP s 247 45.541 9.221 2.589 1.00 54.25 s

ATOM 4802 OH2 TIP s 248 53.783 -9.547 5.816 1.00 51.27 s

ATOM 4803 OH2 TIP s 250 41.334 -23.411 21.275 1.00 53.13 s

ATOM 4804 OH2 TIP s 251 19.660 16.716 33.708 1.00 49.66 s ATOM 4805 OH2 TIP s 252 14.716 -6.770 22.981 1.00 49.72 S

ATOM 4806 OH2 TIP s 253 34.490 0.601 -9.826 1.00 55.18 S

ATOM 4807 OH2 TIP s 254 38.137 7.960 -15.653 1.00 51.28 S

ATOM 4808 OH2 TIP s 255 26.428 -17.087 -6.862 1.00 57.36 S

ATOM 4809 OH2 TIP s 256 50.590 -0.793 -27.577 1.00 55.99 S

ATOM 4810 OH2 TIP s 257 45.276 0.732 33.399 1.00 51.86 S

ATOM 4811 OH2 TIP s 258 13.575 -3.743 19.231 1.00 50.95 S

ATOM 4812 OH2 IP s 259 36.155 20.491 19.384 1.00 52.23 S

ATOM 4813 OH2 TIP s 260 4.905 3.568 -28.461 1.00 51.77 S

ATOM 4814 OH2 TIP s 261 54.446 -7.662 23.471 1.00 47.72 S

ATOM 4815 OH2 TIP s 262 42.737 -3.665 -32.501 1.00 55.44 S

ATOM 4816 OH2 TIP s 263 53.459 -8.615 -20.695 1.00 57.61 S

ATOM 4817 OH2 TIP s 264 54.497 -0.602 -21.375 1.00 51.74 S

ATOM 4818 OH2 TIP s 265 40.016 -20.074 -4.956 1.00 51.63 S

ATOM 4819 OH2 TIP s 266 40.059 -20.474 -13.404 1.00 51.82 S

ATOM 4820 OH2 TIP s 267 46.641 -23.916 24.131 1.00 49.17 S

ATOM 4821 OH2 TIP s 268 41.206 11.109 20.766 1.00 51.89 S

ATOM 4822 OH2 TIP s 269 17.102 -5.501 36.781 1.00 54.85 S

ATOM 4823 OH2 TIP s 270 43.292 -10.525 1.556 1.00 53.23 S

ATOM 4824 OH2 TIP s 271 18.110 5.792 -16.588 1.00 58.91 S

ATOM 4825 OH2 TIP s 272 52.644 -17.182 14.755 1.00 53.59 S

ATOM 4826 OH2 TIP s 273 51.859 -8.693 -1.779 1.00 49.08 S

ATOM 4827 OH2 TIP s 274 51.319 7.358 12.715 1.00 56.20 S

ATOM 4828 OH2 TIP s 275 54.765 0.728 23.070 1.00 52.13 S

ATOM 4829 OH2 TIP s 276 36.335 6.608 -38.014 1.00 56.36 s

ATOM 4830 OH2 TIP s 277 55.616 6.257 -20.759 1.00 49.59 s

ATOM 4831 OH2 TIP s 278 30.197 -19.000 21.176 1.00 56.86 s

ATOM 4832 OH2 TIP s 279 57.682 -4.492 20.633 1.00 43.68 s

ATOM 4833 OH2 TIP s 280 50.561 -5.722 -24.994 1.00 54.90 s

ATOM 4834 OH2 TIP s 281 38.017 19.990 27.025 1.00 62.73 s

ATOM 4835 OH2 TIP s 282 32.355 0.019 -35.256 1.00 50.96 s

ATOM 4836 OH2 TIP s 283 6.820 4.821 -33.149 1.00 49.88 s

ATOM 4837 OH2 TIP s 284 34.745 -21.182 -23.268 1.00 50.57 s

ATOM 4838 OH2 TIP s 285 19.391 -7.720 16.200 1.00 68.64 s

ATOM 4839 OH2 TIP s 286 54.406 8.574 -23.939 1.00 51.94 s

ATOM 4840 OH2 TIP s 287 11.730 -0.527 -37.379 1.00 60.45 s

ATOM 4841 OH2 TIP s 288 52.894 -4.171 0.927 1.00 55.72 s

ATOM 4842 OH2 TIP s 289 17.557 2.802 -35.069 1.00 52.77 s

ATOM 4843 OH2 TIP s 290 37.412 15.517 16.428 1.00 50.29 s

ATOM 4844 OH2 TIP s 291 15.090 -4.077 37.694 1.00 58.96 s

ATOM 4845 OH2 TIP s 292 5.444 -1.806 -31.514 1.00 49.10 s

ATOM 4846 OH2 TIP s 293 42.499 -22.720 31.621 1.00 67.91 s

ATOM 4847 OH2 TIP s 294 48.235 2.315 2.641 1.00 48.11 s

ATOM 4848 OH2 TIP s 295 52.021 -7.793 26.545 1.00 52.59 s

ATOM 4849 OH2 TIP s 296 57.591 8.024 -14.166 1.00 52.10 s

ATOM 4850 OH2 TIP s 297 38.684 -7.093 -35.828 1.00 59.17 s

ATOM 4851 OH2 TIP s 298 52.738 -13.984 21.140 1.00 45.37 s

ATOM 4852 OH2 TIP s 299 14.310 14.924 34.023 1.00 52.46 s

ATOM 4853 OH2 TIP s 300 18.620 6.638 17.008 1.00 53.53 s

ATOM 4854 OH2 TIP s 301 49.160 -11.857 0.108 1.00 51.95 s

ATOM 4855 OH2 TIP s 302 50.944 12.308 -28.155 1.00 55.79 s

ATOM 4856 OH2 TIP s 303 52.693 0.330 3.825 1.00 52.88 s

ATOM 4857 OH2 TIP s 304 52.893 5.171 12.614 1.00 52.71 s

ATOM 4858 OH2 TIP s 305 38.091 -16.171 16.300 1.00 57.33 s

ATOM 4859 OH2 TIP s 306 30.378 16.795 -29.657 1.00 50.32 s ATOM 4860 OH2 TIP s 307 49.705 -8.098 29.963 1.00 61.95 S

ATOM 4861 OH2 TIP s 308 13.795 -8.984 21.959 1.00 58.04 S

ATOM 4862 OH2 TIP s 309 50.004 17.227 -24.588 1.00 54.75 S

ATOM 4863 OH2 TIP s 310 48.845 -5.957 32.366 1.00 61.09 S

ATOM 4864 OH2 TIP s 311 35.285 -4.425 22.895 1.00 46.06 S

ATOM 4865 OH2 TIP s 312 50.210 4.017 2.135 1.00 52.26 S

ATOM 4866 OH2 TIP s 313 36.831 -13.682 17.216 1.00 56.40 S

ATOM 4867 OH2 TIP s 315 23.528 13.762 -29.765 1.00 57.03 S

ATOM 4868 OH2 TIP s 316 46.625 -4.292 32.585 1.00 55.80 S

ATOM 4869 OH2 TIP s 317 41.559 12.390 27.741 1.00 55.98 S

ATOM 4870 OH2 TIP s 318 44.245 -13.712 0.764 1.00 58.05 S

ATOM 4871 OH2 TIP s 319 23.415 7.754 -12.127 1.00 57.30 S

ATOM 4872 OH2 TIP s 320 27.614 -21.333 31.659 1.00 49.59 S

ATOM 4873 OH2 TIP s 321 55.372 -2.141 6.571 1.00 57.15 S

ATOM 4874 OH2 TIP s 322 3.863 2.112 -26.092 1.00 54.94 S

ATOM 4875 OH2 TIP s 323 31.673 6.008 -39.151 1.00 56.04 S

ATOM 4876 OH2 TIP s 324 52.898 0.133 -23.748 1.00 60.46 S

ATOM 4877 OH2 TIP s 325 38.486 15.051 20.558 1.00 52.07 S

ATOM 4878 OH2 TIP s 326 40.014 -3.201 34.257 1.00 62.45 S

ATOM 4879 OH2 TIP s 327 26.538 11.952 -17.950 1.00 56.55 S

ATOM 4880 OH2 TIP s 328 33.915 -16.188 -2.677 1.00 56.57 S

ATOM 4881 OH2 TIP s 329 53.377 14.387 -6.594 1.00 60.59 S

ATOM 4882 OH2 TIP s 330 15.469 -5.205 17.471 1.00 57.95 S

ATOM 4883 OH2 TIP s 331 9.613 10.097 20.198 1.00 61.05 S

ATOM 4884 OH2 TIP s 332 21.907 3.756 -17.424 1.00 53.07 S

ATOM 4885 OH2 TIP s 333 23.322 14.408 -32.240 1.00 59.93 s

ATOM 4886 OH2 TIP s 334 1.141 -5.604 -19.674 1.00 56.19 s

ATOM 4887 OH2 TIP s 336 54.680 0.346 -3.664 1.00 53.38 s

ATOM 4888 OH2 TIP s 337 52.200 2.811 4.154 1.00 55.40 s

ATOM 4889 OH2 TIP s 338 46.258 5.915 2.491 1.00 54.53 s

ATOM 4890 OH2 TIP s 339 57.097 -5.750 15.297 1.00 52.47 s

ATOM 4891 OH2 TIP s 340 38.716 -25.221 30.540 1.00 63.45 s

ATOM 4892 OH2 TIP s 341 27.275 8.949 35.086 1.00 63.73 s

ATOM 4893 OH2 TIP s 342 43.117 13.916 7.284 1.00 64.46 s

ATOM 4894 OH2 TIP s 343 56.263 4.078 15.658 1.00 57.45 s

ATOM 4895 OH2 TIP s 344 44.661 10.359 23.045 1.00 55.85 s

ATOM 4896 OH2 TIP s 345 11.994 4.260 -17.754 1.00 61.38 s

ATOM 4897 OH2 TIP s 346 30.266 12.221 -36.728 1.00 63.46 s

ATOM 4898 OH2 TIP s 347 47.118 -2.770 -30.370 1.00 53.58 s

ATOM 4899 OH2 TIP s 348 39.471 -16.462 -26.766 1.00 55.66 s

ATOM 4900 OH2 TIP s 349 50.845 -10.903 -1.969 1.00 51.55 s

ATOM 4901 OH2 TIP s 350 42.520 19.151 -27.751 1.00 51.02 s

ATOM 4902 OH2 TIP s 351 31.063 0.777 -14.240 1.00 57.70 s

ATOM 4903 OH2 TIP s 352 57.254 -11.993 14.091 1.00 54.71 s

ATOM 4904 OH2 TIP s 353 37.785 5.316 -12.273 1.00 57.32 s

ATOM 4905 OH2 TIP s 354 40.294 -3.878 -31.583 1.00 57.10 s

ATOM 4906 OH2 TIP s 355 32.489 -26.027 -17.454 1.00 60.84 s

ATOM 4907 OH2 TIP s 357 10.305 -4.602 -15.423 1.00 55.48 s

ATOM 4908 OH2 TIP s 358 19.830 9.813 -11.476 1.00 56.52 s

ATOM 4909 OH2 TIP s 359 56.596 -0.555 9.802 1.00 44.42 s

ATOM 4910 OH2 TIP s 360 5.384 -8.547 -34.913 1.00 52.72 s

ATOM 4911 OH2 TIP s 361 17.364 -8.728 18.643 1.00 58.88 s

ATOM 4912 OH2 TIP s 362 34.029 -17.250 18.043 1.00 59.48 s

ATOM 4913 OH2 TIP s 363 43.875 -13.766 -22.208 1.00 58.78 s

ATOM 4914 OH2 TIP s 364 28.374 10.232 -37.110 1.00 58.11 s ATOM 4915 OH2 TIP s 365 33..156 -21.363 23.175 1.00 55..46 s

ATOM 4916 OH2 TIP s 366 39, .034 -6.498 5.355 1.00 59, .17 s

ATOM 4917 OH2 TIP s 367 26, .557 -12.925 -8.736 1.00 53, .66 s

ATOM 4918 OH2 TIP s 368 25. .310 -5.722 14.648 1.00 59. .42 s

ATOM 4919 OH2 TIP s 369 32, .910 -2.504 -37.003 1.00 61. .43 s

ATOM 4920 OH2 TIP s 370 47. .972 10.942 -5.531 1.00 57, .87 s

ATOM 4921 OH2 TIP s 371 43. .581 13.484 -11.457 1.00 64, .27 s

ATOM 4922 OH2 TIP s 372 24. .023 -7.230 -34.231 1.00 52, .63 s

ATOM 4923 OH2 TIP s 373 49. .540 14.532 -16.764 1.00 51, .62 s

ATOM 4924 OH2 TIP s 374 46, .873 15.488 -30.630 1.00 54. .71 s

ATOM 4925 OH2 TIP s 375 47, .957 18.726 -20.438 1.00 63, .16 s

ATOM 4926 OH2 TIP s 376 50. .447 -22.439 8.801 1.00 65, .29 s

ATOM 4927 OH2 TIP s 377 60. .037 7.972 -7.537 1.00 53, .16 s

ATOM 4928 OH2 TIP s 378 10. .493 -16.650 14.456 1.00 54, .43 s

ATOM 4929 OH2 TIP s 379 53. .473 -4.951 -21.137 1.00 52. .37 s

ATOM 4930 OH2 TIP s 380 31. .092 -26.854 32.127 1.00 70, .36 s

ATOM 4931 OH2 TIP s 381 35, .659 -20.586 -17.914 1.00 60, .10 s

ATOM 4932 OH2 TIP s 382 30, .167 2.294 34.082 1.00 66, .54 s

ATOM 4933 OH2 TIP s 383 31. ,308 -18.020 -32.526 1.00 54, .90 s

ATOM 4934 OH2 TIP s 384 32. .190 3.365 -3.358 1.00 65. .71 s

ATOM 4935 OH2 TIP s 385 14. .921 -32.698 -21.242 1.00 56, .83 s

ATOM 4936 OH2 TIP s 386 37. .260 -0.235 -34.917 1.00 65, .23 s

ATOM 4937 OH2 TIP s 388 15. .724 2.630 -15.651 1.00 64, .02 s

ATOM 4938 OH2 TIP s 389 20. .961 -27.954 -23.141 1.00 51. .95 s

ATOM 4939 OH2 TIP s 390 41. ,583 -15.982 12.829 1.00 53, .50 s

ATOM 4940 OH2 TIP s 391 5. ,852 -1.103 18.400 1.00 67, .14 s

ATOM 4941 OH2 TIP s 392 36. .816 -21.679 40.257 1.00 57, .05 s

ATOM 4942 OH2 TIP s 393 38. .500 -19.208 -14.959 1.00 53, .97 s

ATOM 4943 OH2 TIP s 394 21, .482 -0.867 12.505 1.00 61, .40 s

ATOM 4944 OH2 TIP s 395 3, .303 1.969 24.103 1.00 61, .42 s

ATOM 4945 OH2 TIP s 396 33, .252 7.029 31.816 1.00 59. .63 s

ATOM 4946 OH2 TIP s 397 40. .292 20.043 -26.016 1.00 61, .56 s

ATOM 4947 OH2 TIP s 398 21. .545 -2.463 -10.335 1.00 61. .10 s

ATOM 4948 OH2 TIP s 399 18, .424 -13.397 -10.881 1.00 62, .40 s

ATOM 4949 OH2 TIP s 400 35, .385 11.818 -17.078 1.00 65, .18 s

ATOM 4950 OH2 TIP s 401 22, .919 15.637 31.086 1.00 60, .27 s

ATOM 4951 OH2 TIP s 402 48, .799 -10.360 -3.751 1.00 51, .40 s

ATOM 4952 OH2 TIP s 403 39, .597 13.463 24.940 1.00 58. .18 s

ATOM 4953 OH2 TIP s 404 55, .536 -5.358 -16.606 1.00 48. .95 s

ATOM 4954 OH2 TIP s 405 23, .509 -22.782 -30.096 1.00 57, .29 s

ATOM 4955 OH2 TIP s 406 5, .963 -5.782 35.102 1.00 50. .11 s

ATOM 4956 OH2 TIP s 407 29, .583 -7.006 39.385 1.00 64. .12 s

ATOM 4957 OH2 TIP s 408 9, .217 -1.495 -35.934 1.00 62, .88 s

ATOM 4958 OH2 TIP s 409 33, .604 12.478 34.756 1.00 55, .28 s

ATOM 4959 OH2 TIP s 410 29, .455 5.947 -37.222 1.00 53, .30 s

ATOM 4960 OH2 TIP s 411 57, .189 -2.918 -3.426 1.00 66, .01 s

ATOM 4961 OH2 TIP s 412 14, .847 -7.227 19.086 1.00 62, .10 s

ATOM 4962 OH2 TIP s 413 42, .803 -19.533 -16.713 1.00 61, .64 s

ATOM 4963 OH2 TIP s 414 24. .632 -31.799 -27.620 1.00 51, .43 s

ATOM 4964 OH2 TIP s 415 45, .379 4.581 -33.847 1.00 57, .66 s

ATOM 4965 OH2 TIP s 416 56, .311 -5.712 9.178 1.00 56, .70 s

ATOM 4966 OH2 TIP s 417 11, .043 -6.444 20.693 1.00 58, .54 s

ATOM 4967 OH2 TIP s 418 53, .710 -6.363 -1.658 1.00 58, .54 s

ATOM 4968 OH2 TIP s 419 59, .101 -7.983 12.436 1.00 53, .96 s

ATOM 4969 OH2 TIP s 420 50, .801 0.555 28.404 1.00 50, .73 s ATOM 4970 OH2 TIP s 421 13..130 -2,.486 -14,.585 1.00 63,.32 s

ATOM 4971 OH2 TIP s 422 51, .392 -15. .365 -14, .529 1.00 65, .20 s

ATOM 4972 OH2 TIP s 423 37, .359 4, .581 -5, .575 1.00 59, .49 s

ATOM 4973 OH2 TIP s 424 6, .202 -4, .330 -17, .237 1.00 66, .64 s

ATOM 4974 OH2 TIP s 425 16, .922 -19, .818 -31. .826 1.00 51, .66 s

ATOM 4975 OH2 TIP s 426 40, .213 -19, .720 14, .175 1.00 69, .93 s

ATOM 4976 OH2 TIP s 427 32, .592 -2, .732 38, .954 1.00 63, .18 s

ATOM 4977 OH2 TIP s 428 25, .393 1, .826 -13. .002 1.00 62. .95 s

ATOM 4978 OH2 TIP s 429 48, .821 4. .825 -33, .740 1.00 63, .19 s

ATOM 4979 OH2 TIP s 430 31, .514 -26, .256 21, .181 1.00 62, .06 s

ATOM 4980 OH2 TIP s 431 35, .852 -25, .641 30, .446 1.00 57, .85 s

ATOM 4981 OH2 TIP s 432 42, .948 14, .355 -26. .661 1.00 49, .99 s

ATOM 4982 OH2 TIP s 433 24. .738 3, .428 36, .029 1.00 63, .31 s

ATOM 4983 OH2 TIP s 434 48, .635 -16, .327 -13. .242 1.00 63, .82 s

ATOM 4984 OH2 TIP s 435 47, .991 7, .090 20, .219 1.00 53, .60 s

ATOM 4985 OH2 TIP s 436 45, .307 12, .893 19, .421 1.00 63, .98 s

ATOM 4986 OH2 TIP s 437 20, .070 -11, .613 37. .140 1.00 60, .86 s

ATOM 4987 OH2 TIP s 438 56. .227 -14, .126 12, .576 1.00 58, .33 s

ATOM 4988 OH2 TIP s 439 54, .123 -14, .683 23. .282 1.00 50, .83 s

ATOM 4989 OH2 TIP s 440 24, .634 -16, .107 19, .740 1.00 65, .46 s

ATOM 4990 OH2 TIP s 441 54, .240 -9, .355 -1, .012 1.00 66. .45 s

ATOM 4991 OH2 TIP s 442 56, .620 -11, .664 -18, .971 1.00 62. .01 s

ATOM 4992 OH2 TIP s 443 27, .563 -0, .904 42, .567 1.00 66, .17 s

ATOM 4993 OH2 TIP s 444 41, .350 -8, .759 3, .051 1.00 55, .28 s

ATOM 4994 OH2 TIP s 445 33, .239 21, .100 15, .611 1.00 59, .78 s

ATOM 4995 OH2 TIP s 446 26. .561 -29, .338 20, .946 1.00 57, .91 s

ATOM 4996 OH2 TIP s 447 53, .809 14, .618 -15, .066 1.00 64, .57 s

ATOM 4997 OH2 TIP s 448 44, .417 3, .350 32, .553 1.00 65, .40 s

ATOM 4998 OH2 TIP s 449 5, .634 0, .997 33, .397 1.00 57, .93 s

ATOM 4999 OH2 TIP s 450 5, .144 -2, .020 21, .789 1.00 62, .36 s

ATOM 5000 OH2 TIP s 451 22, .404 -11, .657 14, .315 1.00 57, .83 s

ATOM 5001 OH2 TIP s 452 12, .842 -5, .335 22. .755 1.00 52, .66 s

ATOM 5002 OH2 TIP s 453 15, .083 -4, .672 10, .647 1.00 65, .18 s

ATOM 5003 OH2 TIP s 454 lo • .386 -22, .589 -28, , / o o 1.00 47, .45 s

ATOM 5004 OH2 TIP s 455 14, .043 -10, .292 -14, .231 1.00 47, .88 s

ATOM 5005 OH2 TIP s 456 40, .381 -2, .040 -36, .937 1.00 69, .37 s

ATOM 5006 OH2 TIP s 457 20, .712 7, .692 14. .681 1.00 59, .88 s

ATOM 5007 OH2 TIP s 458 45, .862 12, .069 6, .581 1.00 62, .75 s

ATOM 5008 OH2 TIP s 459 30, .312 -22, .803 34, .667 1.00 58, .77 s

ATOM 5009 OH2 TIP s 460 51. .334 15, .065 -20, .996 1.00 60, .03 s

ATOM 5010 OH2 TIP s 461 32, .189 -14, .309 -30, .470 1.00 61, .80 s

ATOM 5011 OH2 TIP s 462 37, .547 0, .584 -14, .292 1.00 51, .83 s

ATOM 5012 OH2 TIP s 463 10, .173 -1, .678 16, .748 1.00 60, .50 s

ATOM 5013 OH2 TIP s 465 36, .305 -10, .323 8, .002 1.00 61, .75 s

ATOM 5014 OH2 TIP s 466 12. .482 14, .648 -12, .780 1.00 57, .18 s

ATOM 5015 OH2 TIP s 467 38, .719 8, .500 -6, .432 1.00 66, .98 s

ATOM 5016 OH2 TIP s 468 21, .543 -17, .393 10, .721 1.00 64. .29 s

ATOM 5017 OH2 TIP s 469 45, .966 3, .489 3, .238 1.00 59, .09 s

ATOM 5018 OH2 TIP s 470 36, .427 -9, .990 14, .665 1.00 61, .60 s

ATOM 5019 OH2 TIP s 471 21, .451 8. .074 -35, .352 1.00 56, .64 s

ATOM 5020 OH2 TIP s 472 39, .712 8, .676 30, .801 1.00 60, .87 s

ATOM 5021 OH2 TIP s 473 44. .346 -0, .113 -32, .280 1.00 62. .31 s

ATOM 5022 OH2 TIP s 474 3, .988 0, .494 31, .631 1.00 68, .06 s

ATOM 5023 OH2 TIP s 475 32, .558 6, .056 4, .816 1.00 60, .98 s

ATOM 5024 OH2 TIP s 476 45, .289 -8, .786 -28, .937 1.00 55, .78 s ATOM 5025 OH2 TIP s 477 36..467 -26..180 28..009 1.00 68..52 s

ATOM 5026 OH2 TIP s 478 14. .171 -11. .405 -36. .205 1.00 59, .22 s

ATOM 5027 OH2 TIP s 479 41. .926 -15. .883 -24. .908 1.00 60. .97 s

ATOM 5028 OH2 TIP s 480 32. .951 13. .799 -18. .840 1.00 63. .23 s

ATOM 5029 OH2 TIP s 481 15. .671 4. .858 -17. .442 1.00 54. .42 s

ATOM 5030 OH2 TIP s 482 23. .720 15. .252 35. .497 1.00 67. .71 s

ATOM 5031 OH2 TIP s 483 30. .645 -9. .639 -30. .497 1.00 68. .56 s

ATOM 5032 OH2 TIP s 484 21. .653 19. .171 30. .922 1.00 56. .02 s

ATOM 5033 OH2 TIP s 485 51. .144 12. .862 -18. .049 1.00 59, .34 s

ATOM 5034 OH2 TIP s 486 21. .624 -0. .672 -40. .090 1.00 68. .68 s

ATOM 5035 OH2 TIP s 487 39. .148 0. .217 -3. .526 1.00 61. .95 s

ATOM 5036 OH2 TIP s 488 51. ,028 -11. .519 4. .582 1.00 59. .73 s

ATOM 5037 OH2 TIP s 489 55. ,225 -14. .482 -18. .414 1.00 70. .51 s

ATOM 5038 OH2 TIP s 490 35. .175 -1. .545 1. .855 1.00 66. .86 s

ATOM 5039 OH2 TIP s 491 11. .136 2. .836 17. ,043 1.00 54. .63 s

ATOM 5040 OH2 TIP s 492 26. .715 -3. .242 10. ,229 1.00 69. .03 s

ATOM 5041 OH2 TIP s 493 2. .759 0. .877 27. .654 1.00 67. .35 s

ATOM 5042 OH2 TIP s 494 12. .527 -8. .683 17. .474 1.00 67. .13 s

ATOM 5043 OH2 TIP s 495 11. .845 -16. .868 -32. .449 1.00 57. .37 s

ATOM 5044 OH2 TIP s 496 36. .018 16. .284 -21. .362 1.00 57. .23 s

ATOM 5045 OH2 TIP s 497 18. .920 -3. .043 -37, .211 1.00 62. .69 s

ATOM 5046 OH2 TIP s 498 53. .479 -11. .989 -6, .487 1.00 60. .23 s

ATOM 5047 OH2 TIP s 499 56. .692 6. .842 21, .282 1.00 60. .19 s

ATOM 5048 OH2 TIP s 500 42. .944 14. .097 15, .501 1.00 59. .61 s

ATOM 5049 OH2 TIP s 501 20. .841 6. .903 35, .981 1.00 68. .48 s

ATOM 5050 OH2 TIP s 502 24. .833 22. .185 31, .142 1.00 63. .27 s

ATOM 5051 OH2 TIP s 503 18. .289 8. .389 13, .954 1.00 61. .05 s

ATOM 5052 OH2 TIP s 504 13. .311 3. .369 -20, .740 1.00 56. .15 s

ATOM 5053 OH2 TIP s 505 16, .754 -3. .633 -35, .539 1.00 59. .50 s

ATOM 5054 OH2 TIP s 506 57, .410 -13, .190 6. .036 1.00 63. .70 s

ATOM 5055 OH2 TIP s 508 48, .168 -17, .445 -15, .879 1.00 68. ,80 s

ATOM 5056 OH2 TIP s 509 27, .138 -28, .422 -29, .526 1.00 66. ,30 s

ATOM • 5057 OH2 TIP s 510 6, .602 -2, .053 -16. .366 1.00 61. .26 s

ATOM 5058 OH2 TIP s 511 36, .177 -17,i Do -19, .404 1.00 61. .22 s

ATOM 5059 OH2 TIP s 512 20, .295 -21, .083 -29, .906 1.00 62. .34 s

ATOM 5060 OH2 TIP s 513 31, .904 -28, .382 -17, .803 1.00 67. .85 s

ATOM 5061 OH2 TIP s 514 37. .099 17, .994 12, .901 1.00 68, .95 s

ATOM 5062 OH2 TIP s 515 25, .862 -10, .261 13, .574 1.00 61, .58 s

ATOM 5063 OH2 TIP s 516 9, .173 -0, .187 37, .707 1.00 63, .91 s

ATOM 5064 OH2 TIP s 517 49, .961 -13, .860 5, .228 1.00 71, .68 s

ATOM 5065 OH2 TIP s 518 19, .889 12, .940 -9, .275 1.00 64. .36 s

ATOM 5066 OH2 TIP s 519 37, .079 -12, .200 39, .285 1.00 63. .69 s

ATOM 5067 OH2 TIP s 520 53, .716 12, .793 -22, .038 1.00 68, .52 s

ATOM 5068 OH2 TIP s 521 42, .456 -12, .658 7, .664 1.00 65, .68 s

ATOM 5069 OH2 IP s 522 40, .221 -24, .742 27, .562 1.00 61, .62 s

ATOM 5070 OH2 TIP s 523 49, .100 -15, .238 -10 .350 1.00 63, .74 s

ATOM 5071 OH2 TIP s 524 32 .897 -14 .213 16 .441 1.00 64, .08 s

ATOM 5072 OH2 TIP s 525 56 .944 8 .440 -17 .910 1.00 56, .87 s

ATOM 5073 OH2 TIP s 526 8 .712 -16 .640 -36 .531 1.00 69, .49 s

ATOM 5074 OH2 TIP s 527 4 .492 -4 .116 29 .851 1.00 60, .11 s

ATOM 5075 OH2 TIP s 528 24 .958 -11 .650 39 .369 1.00 58, .52 s

ATOM 5076 OH2 TIP s 529 29, .446 -6, .827 -31, .817 1.00 65, .75 s

ATOM 5077 OH2 TIP s 530 31, .594 10, .868 37, .387 1.00 66. .47 s

ATOM 5078 OH2 TIP s 531 54, .296 -2, .458 3, .657 1.00 55. .28 s

ATOM 5079 OH2 TIP s 533 28, .867 9, .151 10, .984 1.00 62, .85 s ATOM 5080 OH2 TIP S 534 37.181 -4.891 -35.322 1.00 61.23 S

ATOM 5081 OH2 TIP S 536 30.923 -10.809 -3.084 1.00 58.88 S

ATOM 5082 OH2 TIP S 537 17.542 -3.592 -12.306 1.00 64.03 S

ATOM 5083 OH2 TIP S 538 29.533 -33.382 -23.637 1.00 66.37 S

ATOM 5084 OH2 TIP S 539 38.814 -1.482 4.907 1.00 57.36 S

ATOM 5085 OH2 TIP S 540 43.239 -23.202 29.009 1.00 64.08 S

ATOM 5086 OH2 TIP S 541 40.948 -20.190 -18.594 1.00 63.99 S

ATOM 5087 OH2 TIP S 542 57.350 -2.869 9.408 1.00 49.38 S

ATOM 5088 OH2 TIP S 543 53.539 -13.891 34.566 1.00 70.67 S

ATOM 5089 OH2 TIP S 544 30.099 -7.816 1.459 1.00 69.58 S

ATOM 5090 OH2 IP S 545 38.559 -19.056 -28.521 1.00 70.51 S

ATOM 5091 OH2 TIP S 546 36.955 10.264 -15.582 1.00 62.46 S

ATOM 5092 OH2 TIP s 547 35.261 -16.274 -29.401 1.00 59.26 S

ATOM 5093 OH2 TIP s 548 39.606 6.338 -37.333 1.00 68.27 S

Tabellie 5 : oordinaten der Struktur IDI -2 -FMN (pdb Datei(pdb file))

CRYSTl 115. 027 115. 027 139. .939 90.00 90.00 90.00 I 4

ATOM 1 CB GLU 22 15.961 -2.781 14.433 1.00 46.51 MOLA

ATOM 2 CG GLU 22 15.307 -2.319 13.143 1.00 52.72 MOLA

ATOM 3 CD GLU 22 13.872 -1.808 13.358 1.00 60.00 MOLA

ATOM 4 OΞl GLU 22 13.066 -2.528 13.998 1.00 61.58 MOLA

ATOM 5 OΞ2 GLU 22 13.556 -0.681 12.892 1.00 61.48 MOLA

ATOM 6 C GLU 22 18.015 -3.136 15.787 1.00 37.45 MOLA

ATOM 7 O GLU 22 17.746 -4.070 16.554 1.00 34.71 MOLA

ATOM 8 N GLU 22 17.733 -4.314 13.540 1.00 41.47 MOLA

ATOM 9 CA GLU 22 17.469 -3.085 14.358 1.00 41.98 MOLA

ATOM 10 N THR 23 18.762 -2.089 16.127 1.00 33.57 MOLA

ATOM 11 CA THR 23 19.377 -1.931 17.437 1.00 29.82 MOLA

ATOM 12 CB THR 23 20.521 -0.901 17.373 1.00 29.36 MOLA

ATOM 13 OGl THR 23 20.070 0.273 16.686 1.00 25.60 MOLA

ATOM 14 CG2 THR 23 21.708 -1.481 16.617 1.00 33.53 MOLA

ATOM 15 C THR 23 18.404 -1.498 18.534 1.00 29.23 MOLA

ATOM 16 O THR 23 18.715 -1.615 19.717 1.00 32_* MOLA

ATOM 17 N GLY 24 17.234 -1.000 18.150 1.00 26.75 MOLA

ATOM 18 CA GLY 24 16.261 -0.556 19.132 1.00 23.13 MOLA

ATOM 19 C GLY 24 16.511 0.870 19.594 1.00 22.93 MOLA

ATOM 20 O GLY 24 15.723 1.443 20.361 1.00 19.74 MOLA

ATOM 21 N LΞU 25 17.612 1.453 19.121 1.00 22.30 MOLA

ATOM 22 CA LΞU 25 17.973 2.807 19.520 1.00 21.65 MOLA

ATOM 23 CB LΞU 25 19.413 3.110 19.095 1.00 15.50 MOLA

ATOM 24 CG LΞU 25 20.471 2.248 19.804 1.00 16.09 MOLA

ATOM 25 CDl LΞU 25 21.905 2.620 19.304 1.00 11.02 MOLA

ATOM 26 CD2 LΞU 25 20.341 2.446 21.318 1.00 7.65 MOLA

ATOM 27 C LΞU 25 16.994 3.865 19.012 1.00 23.54 MOLA

ATOM 28 O LΞU 25 16.938 4.966 19.541 1.00 25.04 MOLA

ATOM 29 N ASP 26 16.214 3.521 17.993 1.00 25.58 MOLA

ATOM 30 CA ASP 26 15.211 4.436 17.454 1.00 26.43 MOLA

ATOM 31 CB ASP 26 14.638 3.895 16.148 1.00 31.26 MOLA

ATOM 32 CG ASP 26 15.620 4.001 14.989 1.00 38.52 MOLA

ATOM 33 OD1 ASP 26 15.307 3.452 13.906 1.00 40.90 MOLA

ATOM 34 OD2 ASP 26 16.695 4.635 15.163 1.00 40.41 MOLA

ATOM 35 C ASP 26 14.075 4.605 18.454 1.00 26.22 MOLA

ATOM 36 O ASP 26 13.282 5.534 18.346 1.00 27.84 MOLA

ATOM 37 N ASP 27 13.991 3.692 19.421 1.00 26.14 MOLA ATOM 38 CA ASP 27 12..963 3.724 20.,464 1.00 25.,55 MOLA

ATOM 39 CB ASP 27 12. .738 2.331 21. .060 1.00 26, .80 MOLA

ATOM 40 CG ASP 27 11. ,863 1.450 20. .194 1.00 28, .73 MOLA

ATOM 41 OD1 ASP 27 11. ,912 0.211 20. .370 1.00 29, .35 MOLA

ATOM 42 OD2 ASP 27 11. ,131 1.995 19. .344 1.00 30. .57 MOLA

ATOM 43 C ASP 27 13. ,388 4.649 21. .588 1.00 25. .50 MOLA

ATOM 44 O ASP 27 12. ,686 4.782 22. .597 1.00 26, .62 MOLA

ATOM 45 N ILΞ 28 14. ,557 5.260 21. .412 1.00 22, .48 MOLA

ATOM 46 CA ILΞ 28 15. ,105 6.183 22. .393 1.00 19, .21 MOLA

ATOM 47 CB ILΞ 28 16. .541 5.756 22. .870 1.00 17. .33 MOLA

ATOM 48 CG2 ILΞ 28 17. .289 6.934 23. .495 1.00 8. .68 MOLA

ATOM 49 CGI ILΞ 28 16. .438 4.627 23. .900 1.00 16, .19 MOLA

ATOM 50 CDl ILΞ 28 16. ,061 3.294 23. .303 1.00 16. .66 MOLA

ATOM 51 C ILΞ 28 15. ,149 7.592 21. .838 1.00 18. .70 MOLA

ATOM 52 O ILΞ 28 15. ,753 7.858 20. .796 1.00 15. .09 MOLA

ATOM 53 N THR 29 14. ,478 8.489 22. .551 1.00 19. ,33 MOLA

ATOM 54 CA THR 29 14. ,421 9.886 22. ,185 1.00 17, ,60 MOLA

ATOM 55 CB THR 29 12, .974 10.313 21. .795 1.00 16. .95 MOLA

ATOM 56 OGl THR 29 12, .787 10.106 20, .385 1.00 20, .42 MOLA

ATOM 57 CG2 THR 29 12. .723 11.767 22, .135 1.00 12, .21 MOLA

ATOM 58 C THR 29 14. .903 10.692 23, .364 1.00 17, .10 MOLA

ATOM 59 O THR 29 14. .379 10.568 24. .467 1.00 19. .57 MOLA

ATOM 60 N PHΞ 30 15. .914 11.518 23. .134 1.00 18. .11 MOLA

ATOM 61 CA PHΞ 30 16. .445 12.367 24. .198 1.00 18, .68 MOLA

ATOM 62 CB PHΞ 30 17, .748 13.055 23, .749 1.00 14, .09 MOLA

ATOM 63 CG PHΞ 30 18, .952 12.217 23, .894 1.00 12, .20 MOLA

ATOM 64 CDl PHΞ 30 19, .583 11.676 22, .781 1.00 13, .82 MOLA

ATOM 65 CD2 PHE 30 19. .460 11.941 25, .155 1.00 14, .55 MOLA

ATOM 66 CΞl PHΞ 30 20, .715 10.864 22, ,923 1.00 12, .52 MOLA

ATOM 67 CΞ2 PHΞ 30 20, .582 11.134 25, .316 1.00 12, .53 MOLA

ATOM 68 CZ PHΞ 30 21, .216 10.591 24, ,196 1.00 12, .44 MOLA

ATOM 69 C PHΞ 30 15, .417 13.461 24. .548 1.00 17, .69 MOLA

ATOM 70 O PHΞ 30 14, .677 13.926 23, ,665 1.00 20, .47 MOLA

ATOM 71 N VAL 31 15, .357 13.846 25, ,825 1.00 12, .73 MOLA

ATOM 72 CA VAL 31 14, .475 14.931 26, .280 1.00 11, .69 MOLA

ATOM 73 CB VAL 31 14, .276 14.914 27, ,847 1.00 6, .55 MOLA

ATOM 74 CGI VAL 31 13, .413 16.072 28, .266 1.00 3, .38 MOLA

ATOM 75 CG2 VAL 31 13, .632 13.617 28, ,306 1.00 5, .48 MOLA

ATOM 76 C VAL 31 15, .246 16.212 25, .886 1.00 12, .01 MOLA

ATOM 77 O VAL 31 16, .375 16.391 26, ,304 1.00 12. .86 MOLA

ATOM 78 N HIS 32 14, .643 17.090 25, .090 1.00 13, .84 MOLA

ATOM 79 CA HIS 32 15, .314 18.317 24, .625 1.00 17, .07 MOLA

ATOM 80 CB HIS 32 14, .432 19.016 23, .567 • 1.00 19, .59 MOLA

ATOM 81 CG HIS 32 14, .936 20.355 23, .118 1.00 21, .61 MOLA

ATOM 82 CD2 HIS 32 14, .302 21.541 22, .977 1.00 22, ,13 MOLA

ATOM 83 NDl HIS 32 16 .222 20.556 22 .665 1.00 25, .11 MOLA

ATOM 84 CΞl HIS 32 16 .358 21.806, 22 .259 1.00 19, .81 MOLA

ATOM 85 NΞ2 HIS 32 15 .207 22.425 22 .438 1.00 20, .86 MOLA

ATOM 86 C HIS 32 15, .689 19.318 25 .723 1.00 20, .22 MOLA

ATOM 87 O HIS 32 14, .973 19.485 26, .711 1.00 24, .41 MOLA

ATOM 88 N VAL 33 16, .825 19.982 25, .536 1.00 20, .34 MOLA

ATOM 89 CA VAL 33 17 .287 20.960 26 .510 1.00 21 .09 MOLA

ATOM 90 CB VAL 33 18 .647 20.522 27 .067 1.00 16, .80 MOLA

ATOM 91 CGI VAL 33 19 .123 21.472 28 .144 1.00 12, .77 MOLA

ATOM 92 CG2 VAL 33 18 .516 19.136 27 .613 1.00 13, .28 MOLA ATOM 93 C VAL 33 17.,345 22..340 25,,835 1.,00 22,.66 MOLA

ATOM 94 O VAL 33 18. .068 22. .534 24, .858 1. ,00 19, .68 MOLA

ATOM 95 N SΞR 34 16. .540 23. .265 26, .358 1. .00 23, .52 MOLA

ATOM 96 CA SΞR 34 16, .415 24. .608 25, .803 1. ,00 23, .71 MOLA

ATOM 97 CB SΞR 34 15. .127 25. .244 26, .322 1. .00 23, .22 MOLA

ATOM 98 OG SΞR 34 13. .993 24. .660 25, .710 1. .00 28, .33 MOLA

ATOM 99 C SΞR 34 17. .586 25. .519 26, .090 1. .00 24. .72 MOLA

ATOM 100 O SΞR 34 17. .913 26. .403 25, .296 1. .00 26, .48 MOLA

ATOM 101 N LΞU 35 18. .212 25. .287 27, .232 1. ,00 23, .76 MOLA

ATOM 102 CA LΞU 35 19, .337 26. .079 27. .664 1. ,00 24. .01 MOLA

ATOM 103 CB LΞU 35 18. .884 26. .931 28. .846 1. .00 26, .17 MOLA

ATOM 104 CG LΞU 35 17, .613 27. .756 28, .684 1. .00 26, .13 MOLA

ATOM 105 CDl LΞU 35 17, .037 28. .005 30, .070 1. .00 28, .70 MOLA

ATOM 106 CD2 LΞU 35 17, .897 29. .071 27, .934 1. .00 24, .27 MOLA

ATOM 107 C LΞU 35 20, .500 25, .185 28, .100 1. .00 25, .05 MOLA

ATOM 108 O LΞU 35 20, .794 25, .072 29, .285 1. .00 25, .10 MOLA

ATOM 109 N PRO 36 21, .180 24, .538 27, .147 1. .00 28, .38 MOLA

ATOM 110 CD PRO 36 21, .036 24, .651 25, .684 1. .00 30, .40 MOLA

ATOM 111 CA PRO 36 22, .306 23, .664 27, .482 1. .00 32, .15 MOLA

ATOM 112 CB PRO 36 22, .752 23, .152 26, .117 1. .00 32, .45 MOLA

ATOM 113 CG PRO 36 22, .415 24. .263 25, .198 1. .00 30, .64 MOLA

ATOM 114 C PRO 36 23, .442 24, .314 28, .285 1. .00 35, .11 MOLA

ATOM 115 O PRO 36 24. .045 23, .656 29, .135 1. .00 37, .77 MOLA

ATOM 116 N ASP 37 23. .741 25, .587 28, .019 1. .00 37, .39 MOLA

ATOM 117 CA ASP 37 24. .787 26, .321 28, .768 1. .00 42, .26 MOLA

ATOM 118 CB ASP 37 24. .402 26. .412 30, .251 1. .00 44, .49 MOLA

ATOM 119 CG ASP 37 25. .279 27, .378 31, .030 1. .00 46, .78 MOLA

ATOM 120 OD1 ASP 37 25. ,405 27, .199 32, .266 1. .00 44, .72 MOLA

ATOM 121 OD2 ASP 37 25. .832 28, .312 30, .405 1. .00 47, .13 MOLA

ATOM 122 C ASP 37 26. ,153 25, .640 28, .648 1. .00 42, .75 MOLA

ATOM 123 O ASP 37 26. .764 25. .210 29, .650 1. .00 39, .52 MOLA

ATOM 124 N LΞU 38 26. .626 25. .568 27, .409 1. .00 42. .11 MOLA

ATOM 125 CA LΞU 38 27, .868 24. .902 27, .089 1. .00 40, .24 MOLA

ATOM 126 CB LΞU 38 27, .624 23. .396 27, .068 1. ,00 39, .82 MOLA

ATOM 127 CG LΞU 38 28. .233 22, .553 28, .169 1. ,00 40, .83 MOLA

ATOM 128 CDl LΞU 38 27, .408 21, .318 28, .356 1. ,00 40, .67 MOLA

ATOM 129 CD2 LΞU 38 29, .662 22, .200 27, .801 1. .00 42, .65 MOLA

ATOM 130 C LΞU 38 28. .373 25, .315 25, .720 1, .00 41, .66 MOLA

ATOM 131 O LΞU 38 27. .595 25, .662 24, .820 1. .00 41, .55 MOLA

ATOM 132 N ALA 39 29. .693 25, .241 25, .577 1. .00 41, .91 MOLA

ATOM 133 CA ALA 39 30, .375 25, .568 24, .336 1. .00 37, .02 MOLA

ATOM 134 CB ALA 39 31, .383 26, .678 24. .570 1. .00 35, .32 MOLA

ATOM 135 C ALA 39 31. .069 24, .286 23, .893 1. .00 34, .20 MOLA

ATOM 136 O ALA 39 31, .599 23, .546 24. .719 1. .00 29, .98 MOLA

ATOM 137 N LΞU 40 31, .035 24, .020 22, .592 1. .00 33, .86 MOLA

ATOM 138 CA LΞU 40 31, .669 22, .840 22, .025 1. .00 37, .57 MOLA

ATOM 139 CB LΞU 40 31, .757 22. .998 20, .517 1. .00 38, .21 MOLA

ATOM 140 CG LΞU 40 31, .927 21, .713 19, .725 1. .00 40. .12 MOLA

ATOM 141 CDl LΞU 40 30, .557 21, .054 19, .576 1. .00 41, .74 MOLA

ATOM 142 CD2 LΞU 40 32, .498 22, .018 18, ,347 1. .00 44, .73 MOLA

ATOM 143 C LΞU 40 33, .074 22, .589 22, .585 1. .00 39, .92 MOLA

ATOM 144 O LΞU 40 33, .525 21, .445 22, .642 1, .00 43, .14 MOLA

ATOM 145 N GLU 41 33, .754 23, .662 22, .989 1. .00 41, .23 MOLA

ATOM 146 CA GLU 41 35, .114 23, .592 23, .532 1. .00 42, .46 MOLA

ATOM 147 CB GLU 41 35, .781 24, .986 23, .582 1. .00 47, .20 MOLA ATOM 148 CG GLU 41 34.981 26.154 23.002 1.00 54.82 MOLA

ATOM 149 CD GLU 41 34.871 26.095 21.481 1.00 59.53 MOLA

ATOM 150 OΞl GLU 41 35.915 26.231 20.789 1.00 62.96 MOLA

ATOM 151 OΞ2 GLU 41 33.738 25.900 20.984 1.00 58.34 MOLA

ATOM 152 C GLU 41 35.171 23.008 24.939 1.00 41.96 MOLA

ATOM 153 O GLU 41 36.202 22.488 25.358 1.00 43.72 MOLA

ATOM 154 N GLN 42 34.081 23.096 25.683 1.00 39.75 MOLA

ATOM 155 CA GLN 42 34.106 22.582 27.040 1.00 39.51 MOLA

ATOM 156 CB GLN 42 33.168 23.397 27.932 1.00 43.87 MOLA

ATOM 157 CG GLN 42 33.158 24.902 27.704 1.00 45.39 MOLA

ATOM 158 CD GLN 42 32.041 25.579 28.502 1.00 49.15 MOLA

ATOM 159 OΞl GLN 42 32.040 25.551 29.739 1.00 49.73 MOLA

ATOM 160 NΞ2 GLN 42 31.072 26.169 27.795 1.00 46.60 MOLA

ATOM 161 C GLN 42 33.718 21.107 27.118 1.00 37.88 MOLA

ATOM 162 O GLN 42 33.793 20.500 28.193 1.00 35.09 MOLA

ATOM 163 N VAL 43 33.314 20.534 25.982 1.00 36.19 MOLA

ATOM 164 CA VAL 43 32.888 19.134 25.937 1.00 34.78 MOLA

ATOM 165 CB VAL 43 32.129 18.815 24.654 1.00 33.41 MOLA

ATOM 166 CGI VAL 43 31.697 17.357 24.680 1.00 33.82 MOLA

ATOM 167 CG2 VAL 43 30.938 19.733 24.505 1.00 33.09 MOLA

ATOM 168 C VAL 43 34.024 18.135 26.026 1.00 34.54 MOLA

ATOM 169 O VAL 43 34.985 18.194 25.257 1.00 36.03 MOLA

ATOM 170 N ASP 44 33.888 17.195 26.950 1.00 30.80 MOLA

ATOM 171 CA ASP 44 34.887 16.157 27.149 1.00 27.54 MOLA

ATOM 172 CB ASP 44 35.320 16.141 28.609 1.00 25.83 MOLA

ATOM 173 CG ASP 44 36.122 14.921 28.967 1.00 27.55 MOLA

ATOM 174 OD1 ASP 44 35.603 13.801 28.795 1.00 35.06 MOLA

ATOM 175 OD2 ASP 44 37.260 15.066 29.425 1.00 28.92 MOLA

ATOM 176 C ASP 44 34.341 14.790 26.771 1.00 27.48 MOLA

ATOM 177 O ASP 44 33.437 14.272 27.426 1.00 30.47 MOLA

ATOM 178 N ILΞ 45 34.902 14.178 25.737 1.00 25.43 MOLA

ATOM 179 CA ILΞ 45 34.432 12.868 25.331 1.00 25.22 MOLA

ATOM 180 CB ILΞ 45 34.332 12.743 23.802 1.00 26.69 MOLA

ATOM 181 CG2 ILE 45 33.399 13.797 23 • 56 1.00 30.82 MOLA

ATOM 182 CGI ILE 45 35.705 12.913 23.174 1.00 26.61 MOLA

ATOM 183 CDl ILΞ 45 35.644 12.841 21.672 1.00 33.35 MOLA

ATOM 184 C ILE 45 35.293 11.713 25.832 1.00 23.36 MOLA

ATOM 185 O ILΞ 45 35.148 10.589 25.369 1.00 24.00 MOLA

ATOM 186 N SΞR 46 36.181 11.962 26.780 1.00 21.28 MOLA

ATOM 187 CA SΞR 46 36.999 10.859 27.256 1.00 23.04 MOLA

ATOM 188 CB SΞR 46 38.206 11.388 28.024 1.00 20.93 MOLA

ATOM 189 OG SΞR 46 37.800 12.162 29.135 1.00 14.10 MOLA

ATOM 190 C SΞR 46 36.162 9.916 28.118 1.00 23.64 MOLA

ATOM 191 O SΞR 46 35.197 10.334 28.746 1.00 25.87 MOLA

ATOM 192 N THR 47 36.518 8.637 28.128 1.00 23.85 MOLA

ATOM 193 CA THR 47 35.750 7.659 28.892 1.00 24.81 MOLA

ATOM 194 CB THR 47 34.762 6.888 27.970 1.00 25.94 MOLA

ATOM 195 OGl THR 47 33.872 6.108 28.772 1.00 25.06 MOLA

ATOM 196 CG2 THR 47 35.525 5.969 27.000 1.00 20.29 MOLA

ATOM 197 C THR 47 36.650 6.654 29.605 1.00 25.56 MOLA

ATOM 198 O THR 47 37.859 6.837 29.673 1.00 25.55 MOLA

ATOM 199 N LYS 48 36.058 5.592 30.143 1.00 27.00 MOLA

ATOM 200 CA LYS 48 36.845 4.590 30.845 1.00 30.53 MOLA

ATOM 201 CB LYS 48 36.894 4.943 32.329 1.00 30.79 MOLA

ATOM 202 CG LYS 48 38.081 4.384 33.082 1.00 40.91 MOLA ATOM 203 CD LYS 48 37.845 4.457 34.591 1.00 46.74 MOLA

ATOM 204 CΞ LYS 48 38.927 3.696 35.363 1.00 52.57 MOLA

ATOM 205 NZ LYS 48 38.530 3.350 36.769 1.00 49.54 MOLA

ATOM 206 C LYS 48 36.325 3.151 30.637 1.00 32.93 MOLA

ATOM 207 O LYS 48 35.272 2.765 31.141 1.00 37.18 MOLA

ATOM 208 N ILΞ 49 37.067 2.355 29.877 1.00 33.91 MOLA

ATOM 209 CA ILΞ 49 36.677 0.973 29.625 1.00 34.47 MOLA

ATOM 210 CB ILΞ 49 37.218 0.477 28.249 1.00 34.34 MOLA

ATOM 211 CG2 ILΞ 49 36.950 -1.022 28.064 1.00 33.22 MOLA

ATOM 212 CGI ILΞ 49 36.574 1.277 27.116 1.00 27.77 MOLA

ATOM 213 CDl ILΞ 49 37.010 0.818 25.764 1.00 29.76 MOLA

ATOM 214 C ILΞ 49 37.281 0.132 30.729 1.00 35.72 MOLA

ATOM 215 O ILΞ 49 38.467 -0.158 30.716 1.00 36.64 MOLA

ATOM 216 N GLY 50 36.466 -0.288 31.683 1.00 39.81 MOLA

ATOM 217 CA GLY 50 37.002 -1.069 32.780 1.00 40.16 MOLA

ATOM 218 C GLY 50 38.036 -0.189 33.465 1.00 43.42 MOLA

ATOM 219 O GLY 50 37.741 0.951 33.828 1.00 43.91 MOLA

ATOM 220 N GLU 51 39.256 -0.688 33.632 1.00 43.79 MOLA

ATOM 221 CA GLU 51 40.302 0.111 34.273 1.00 42.84 MOLA

ATOM 222 CB GLU 51 41.264 -0.794 35.049 1.00 50.63 MOLA

ATOM 223 CG GLU 51 40.899 -1.022 36.522 1.00 60.35 MOLA

ATOM 224 CD GLU 51 41.795 -2.084 37.180 1.00 67.98 MOLA

ATOM 225 OΞl GLU 51 43.041 -1.980 37.053 1.00 70.26 MOLA

ATOM 226 OΞ2 GLU 51 41.251 -3.021 37.818 1.00 70.76 MOLA

ATOM 227 C GLU 51 41.084 0.949 33.260 1.00 37.54 MOLA

ATOM 228 O GLU 51 41.857 1.824 33.633 1.00 34.88 MOLA

ATOM 229 N LΞU 52 40.858 0.671 31.978 1.00 34.88 MOLA

ATOM 230 CA LΞU 52 41.505 1.377 30.873 1.00 30.86 MOLA

ATOM 231 CB LΞU 52 41.356 0.595 29.574 1.00 26.20 MOLA

ATOM 232 CG LΞU 52 42.427 -0.425 29.254 1.00 25.01 MOLA

ATOM 233 CDl LΞU 52 42.078 -1.128 27.965 1.00 27.03 MOLA

ATOM 234 CD2 LΞU 52 43.761 0.287 29.130 1.00 24.13 MOLA

ATOM 235 C LΞU 52 40.944 2.764 30.645 1.00 31.27 MOLA

ATOM 236 O LEU 52 39.740 2.990 30.737 1.00 31.12 MOLA

ATOM 237 N SΞR 53 41.820 3.698 30.325 1.00 31.02 MOLA

ATOM 238 CA SΞR 53 41.384 5.050 30.066 1.00 32.69 MOLA

ATOM 239 CB SΞR 53 42.271 6.048 30.788 1.00 34.51 MOLA

ATOM 240 OG SΞR 53 41.977 6.056 32.169 1.00 42.15 MOLA

ATOM 241 C SΞR 53 41.461 5.301 28.585 1.00 33.18 MOLA

ATOM 242 O SΞR 53 42.369 4.812 27.916 1.00 37.58 MOLA

ATOM 243 N SΞR 54 40.501 6.055 28.069 1.00 30.24 MOLA

ATOM 244 CA SΞR 54 40.488 6.357 26.655 1.00 27.78 MOLA

ATOM 245 CB SΞR 54 39.635 5.343 25.912 1.00 24.57 MOLA

ATOM 246 OG SΞR 54 39.660 5.583 24.522 1.00 27.48 MOLA

ATOM 247 C SΞR 54 39.998 7.773 26.384 1.00 27.28 MOLA

ATOM 248 O SΞR 54 39.030 8.239 26.983 1.00 28.87 MOLA

ATOM 249 N SΞR 55 40.669 8.461 25.472 1.00 24.21 MOLA

ATOM 250 CA SΞR 55 40.288 9.818 25.138 1.00 27.12 MOLA

ATOM 251 CB SΞR 55 41.485 10.526 24.534 1.00 28.77 MOLA

ATOM 252 OG SΞR 55 41.867 9.879 23.339 1.00 28.44 MOLA

ATOM 253 C SΞR 55 39.137 9.844 24.142 1.00 30.28 MOLA

ATOM 254 O SΞR 55 38.705 10.914 23.688 1.00 32.10 MOLA

ATOM 255 N SΞR 56 38.643 8.661 23.797 1.00 32.59 MOLA

ATOM 256 CA SΞR 56 37.566 8.537 22.828 1.00 31.72 MOLA

ATOM 257 CB SΞR 56 38.156 8.168 21.470 1.00 32.56 MOLA ATOM 258 OG SΞR 56 37.143 7.806 20.543 1.00 32.24 MOLA

ATOM 259 C SΞR 56 36.567 7.478 23.243 1.00 29.90 MOLA

ATOM 260 O SΞR 56 36.951 6.419 23.726 1.00 30.41 MOLA

ATOM 261 N PRO 57 35.255 7.761 23.075 1.00 26.44 MOLA

ATOM 262 CD PRO 57 34.688 9.093 22.811 1.00 24.85 MOLA

ATOM 263 CA PRO 57 34.189 6.811 23.426 1.00 22.24 MOLA

ATOM 264 CB PRO 57 33.011 7.714 23.769 1.00 17.36 MOLA

ATOM 265 CG PRO 57 33.178 8.820 22.796 1.00 21.97 MOLA

ATOM 266 C PRO 57 33.905 5.917 22.229 1.00 21.09 MOLA

ATOM 267 O PRO 57 33.016 5.079 22.267 1.00 24.44 MOLA

ATOM 268 N ILΞ 58 34.676 6.103 21.161 1.00 19.84 MOLA

ATOM 269 CA ILΞ 58 34.496 5.316 19.943 1.00 18.36 MOLA

ATOM 270 CB ILΞ 58 34.039 6.199 18.785 1.00 18.36 MOLA

ATOM 271 CG2 ILΞ 58 33.886 5.384 17.533 1.00 18.11 MOLA

ATOM 272 CGI ILΞ 58 32.717 6.863 19.131 1.00 21.40 MOLA

ATOM 273 CDl ILΞ - 58 32.215 7.769 18.038 1.00 17.82 MOLA

ATOM 274 C ILΞ 58 35.788 4.646 19.536 1.00 18.76 MOLA

ATOM 275 O ILΞ 58 36.859 5.224 19.707 1.00 23.00 MOLA

ATOM 276 N PHΞ 59 35.713 3.428 19.005 1.00 18.88 MOLA

ATOM 277 CA PHΞ 59 36.930 2.731 18.572 1.00 19.49 MOLA

ATOM 278 CB PHΞ 59 37.479 1.842 19.690 1.00 15.30 MOLA

ATOM 279 CG PHΞ 59 36.628 0.661 19.992 1.00 17.10 MOLA

ATOM 280 CDl PHΞ 59 36.774 -0.520 19.285 1.00 16.76 MOLA

ATOM 281 CD2 PHΞ 59 35.625 0.743 20.950 1.00 19.36 MOLA

ATOM 282 CΞl PHΞ 59 35.936 -1.608 19.521 1.00 12.95 MOLA

ATOM 283 CΞ2 PHΞ 59 34.774 -0.337 21.192 1.00 17.62 MOLA

ATOM 284 CZ PHΞ 59 34.933 -1.516 20.473 1.00 15.01 MOLA

ATOM 285 C PHΞ 59 36.704 1.909 17.313 1.00 20.09 MOLA

ATOM 286 O PHΞ 59 35.577 1.518 17.029 1.00 20.57 MOLA

ATOM 287 N ILΞ 60 37.778 1.681 16.552 1.00 21.88 MOLA

ATOM 288 CA ILΞ 60 37.713 0.907 15.315 1.00 22.80 MOLA

ATOM 289 CB ILΞ 60 38.944 1.139 14.440 1.00 19.02 MOLA

ATOM 290 CG2 ILΞ 60 38.815 0.359 13.141 1.00 16.43 MOLA

ATOM 291 CGI ILE 60 39.076 2.621 14.131 1.00 21_*23 MOLA

ATOM 292 CDl ILΞ 60 40.376 2.966 13.451 1.00 21.30 MOLA

ATOM 293 C ILΞ 60 37.646 -0.572 15.617 1.00 24.38 MOLA

ATOM 294 O ILΞ 60 38.303 -1.065 16.522 1.00 23.79 MOLA

ATOM 295 N ASN 61 36.856 -1.284 14.837 1.00 29.13 MOLA

ATOM 296 CA ASN 61 36.726 -2.710 15.043 1.00 34.74 MOLA

ATOM 297 CB ASN 61 35.265 -3.029 15.293 1.00 35.40 MOLA

ATOM 298 CG ASN 61 35.079 -3.945 16.461 1.00 40.68 MOLA

ATOM 299 OD1 ASN 61 34.101 -3.842 17.223 1.00 44.31 MOLA

ATOM 300 ND2 ASN 61 36.033 -4.861 16.629 1.00 45.68 MOLA

ATOM 301 C ASN 61 37.242 -3.443 13.809 1.00 40.12 MOLA

ATOM 302 O ASN 61 36.452 -3.868 12.965 1.00 45.76 MOLA

ATOM 303 N ALA 62 38.563 -3.603 13.705 1.00 43.52 MOLA

ATOM 304 CA ALA 62 39.149 -4.261 12.538 1.00 45.31 MOLA

ATOM 305 CB ALA 62 40.635 -4.514 12.759 1.00 41.85 MOLA

ATOM 306 C ALA 62 38.420 -5.561 12.128 1.00 48.89 MOLA

ATOM 307 O ALA 62 37.669 -6.175 12.905 1.00 47.21 MOLA

ATOM 308 N MΞT 63 38.632 -5.973 10.888 1.00 53.17 MOLA

ATOM 309 CA MΞT 63 37.974 -7.158 10.381 1.00 56.49 MOLA

ATOM 310 CB MΞT 63 36.980 -6.727 9.285 1.00 60.25 MOLA

ATOM 311 CG MΞT 63 36.239 -5.398 9.586 1.00 62.79 MOLA

ATOM 312 SD MΞT 63 37.328 -3.896 9.520 1.00 66.59 MOLA ATOM 313 CΞ MBT 63 36.253 -2.591 10.062 1.00 61.44 MOLA

ATOM 314 C MΞT 63 39.057 -8.099 9.842 1.00 58.07 MOLA

ATOM 315 O MΞT 63 39.895 -7.698 9.024 1.00 59 .38 MOLA

ATOM 316 N THR 64 39.042 -9.336 10.334 1.00 58.63 MOLA

ATOM 317 CA THR 64 40.011 ^■10.364 9.954 1.00 58.82 MOLA

ATOM 318 CB THR 64 39.515 ^■11.779 10.365 1.00 57 .33 MOLA

ATOM 319 OGl THR 64 38.593 ^■11.665 11.453 1.00 55.28 MOLA

ATOM 320 CG2 THR 64 40.695 ^■12.670 10.802 1.00 52 . 68 MOLA

ATOM 321 C THR 64 40.294 ^■10.374 8.449 1.00 61. 09 MOLA

ATOM 322 O THR 64 41.447 -10.524 8.027 1.00 62 . 01 MOLA

ATOM 323 N GLY 65 39.245 -10.222 7..642 1.00 61. 83 MOLA

ATOM 324 CA GLY 65 39.421 -10.223 6,.196 1.00 63 .28 MOLA

ATOM 325 C GLY 65 39.824 -11.581 5..628 1.00 62 .77 MOLA

ATOM 326 O GLY 65 39.326 -12.629 6.065 1. 00 61. 80 MOLA

ATOM 327 N GLY 66 40.727 -11.572 4.652 1.00 61. 69 MOLA

ATOM 328 CA GLY 66 41.166 -12.820 4..059 1.00 62 .19 MOLA

ATOM 329 C GLY 66 42.675 -12.985 4..102 1.00 61.10 MOLA

ATOM 330 O GLY 66 43.301 -13.297 3..083 1, 00 62 .29 MOLA

ATOM 331 N GLY 67 43.258 -12.773 5..279 1, 00 58 .47 MOLA

ATOM 332 CA GLY 67 44.694 -12.908 5..424 1.00 55.10 MOLA

ATOM 333 C GLY 67 45.475 -12.249 4..299 1, 00 52 .57 MOLA

ATOM 334 O GLY 67 45.042 -11.248 3..724 1.00 53 .07 MOLA

ATOM 335 N GLY 68 46.632 -12.820 3..983 1.00 49 .82 MOLA

ATOM 336 CA GLY 68 47.454 -12.265 2..927 1.00 46 .82 MOLA

ATOM 337 C GLY 68 47.933 -10.864 3..260 1.00 46 .17 MOLA

ATOM 338 O GLY 68 47.654 -10.344 4..343 1.00 47 .39 MOLA

ATOM 339 N LYS 69 48.649 -10.256 2..317 1. 00 44. 98 MOLA

ATOM 340 CA LYS 69 49.189 -8.909 2..471 1.00 41. 60 MOLA

ATOM 341 CB LYS 69 50.223 -8.649 1.384 1.00 41.74 MOLA

ATOM 342 CG LYS 69 51.663 -8.677 1.862 1.00 41. 02 MOLA

ATOM 343 CD LYS 69 52.066 -7.332 2.452 1.00 43 . 03 MOLA

ATOM 344 CΞ LYS 69 53.589 -7. 184 2.513 1.00 40. 91 MOLA

ATOM 345 NZ LYS 69 54.033 -5.844 2.987 1. 00 38.41 MOLA

ATOM 346 C LYS 69 48.128 -7.812 2.442 1.00 40.72 MOLA

ATOM 347 O LYS 69 48.406 -6.656 2.766 1.00 40. 69 MOLA

ATOM 348 N LΞU 70 46.910 -8.174 2..054 1.00 40. 99 MOLA

ATOM 349 CA LΞU 70 45.818 -7.206 2.,009 1.00 39.45 MOLA

ATOM 350 CB LΞU 70 44.641 -7.766 1..212 1.00 38. 05 MOLA

ATOM 351 CG LΞU 70 43.482 -6.792 0.,999 1.00 33 . 95 MOLA

ATOM 352 CDl LΞU 70 43.977 -5.599 0,,199 1.00 31.10 MOLA

ATOM 353 CD2 LΞU 70 42.333 -7.500 0.272 1.00 36.37 MOLA

ATOM 354 C LΞU 70 45.387 -6.879 3.447 1. 00 38.16 MOLA

ATOM 355 O LΞU 70 45.069 .729 3..764 1.00 38.53 MOLA

ATOM 356 N THR 71 45.404 .888 4..317 1.00 35. 90 MOLA

ATOM 357 CA THR 71 45.046 .690 5..719 1.00 33 .19 MOLA

ATOM 358 CB THR 71 44.902 .040 6..445 1.00 30 .76 MOLA

ATOM 359 OGl THR 71 43.918 .833 5..784 1.00 34.33 MOLA

ATOM 360 CG2 THR 71 44.459 -8.829 7..879 1.00 30.49 MOLA

ATOM 361 C THR 71 46.169 -6.880 6.,377 1.00 33 . 65 MOLA

ATOM 362 O THR 71 45.925 -5.881 7.,075 1.00 31.54 MOLA

ATOM 363 N TYR 72 47.403 -7.318 6.,139 1.00 29. 96 MOLA

ATOM 364 CA TYR 72 48.576 -6.636 6..663 1, 00 29. 85 MOLA

ATOM 365 CB TYR 72 49.848 -7.165 5.,989 1, 00 31.39 MOLA

ATOM 366 CG TYR 72 51.122 -6.431 6..361 1, 00 32 .51 MOLA

ATOM 367 CDl TYR 72 51.890 -6.838 7..449 1, 00 32 .39 MOLA ATOM 368 CΞl TYR 72 53.053 -6.148 7.816 1.00 33.74 MOLA

ATOM 369 CD2 TYR 72 51.547 -5.312 5.640 1.00 35.57 MOLA

ATOM 370 CΞ2 TYR 72 52.720 -4.612 6.003 1.00 35.92 MOLA

ATOM 371 CZ TYR 72 53.458 -5.043 7.094 1.00 33.70 MOLA

ATOM 372 OH TYR 72 54.590 -4.379 7.486 1.00 36.39 MOLA

ATOM 373 C TYR 72 48.475 -5.139 6.385 1.00 29.32 MOLA

ATOM 374 O TYR 72 48.743 -4.317 7.258 1.00 28.03 MOLA

ATOM 375 N GLU 73 48.077 -4.780 5.168 1.00 29.84 MOLA

ATOM 376 CA GLU 73 47.993 -3.366 4.802 1.00 30.28 MOLA

ATOM 377 CB GLU 73 48.051 -3.202 3.285 1.00 30.95 MOLA

ATOM 378 CG GLU 73 49.407 -3.520 2.692 1.00 35.99 MOLA

ATOM 379 CD GLU 73 50.480 -2.468 3.054 1.00 42.31 MOLA

ATOM 380 OΞl GLU 73 51.700 -2.828 2.999 1.00 38.03 MOLA

ATOM 381 OΞ2 GLU 73 50.088 -1.300 3.375 1.00 39.49 MOLA

ATOM 382 C GLU 73 46.774 -2.658 5.359 1.00 28.70 MOLA

ATOM 383 O GLU 73 46.836 -1.478 5.733 1.00 28.63 MOLA

ATOM 384 N ILΞ 74 45.656 -3.367 5.400 1.00 24.45 MOLA

ATOM 385 CA ILΞ 74 44.456 -2.776 5.946 1.00 20.91 MOLA

ATOM 386 CB ILΞ 74 43.244 -3.701 5.763 1.00 19.47 MOLA

ATOM 387 CG2 ILΞ 74 42.108 -3.229 6.626 1.00 19.19 MOLA

ATOM 388 CGI ILΞ 74 42.815 -3.697 4.301 1.00 17.29 MOLA

ATOM 389 CDl ILΞ 74 41.804 -4.755 3.993 1.00 15.55 MOLA

ATOM 390 C ILΞ 74 44.720 -2.543 7.428 1.00 20.84 MOLA

ATOM 391 0 ILΞ 74 44.457 -1.448 7.953 1.00 22.16 MOLA

ATOM 392 N ASN 75 45.259 -3.560 8.104 1.00 18.43 MOLA

ATOM 393 CA ASN 75 45.581 -3.429 9.520 1.00 15.88 MOLA

ATOM 394 CB ASN 75 46.173 -4.717 10.060 1.00 16.04 MOLA

ATOM 395 CG ASN 75 45.115 -5.729 10.385 1.00 19.10 MOLA

ATOM 396 OD1 ASN 75 43.936 -5.410 10.418 1.00 22.54 MOLA

ATOM 397 ND2 ASN 75 45.527 -6.951 10.653 1.00 19.65 MOLA

ATOM 398 C ASN 75 46.546 -2.284 9.757 1.00 17.70 MOLA

ATOM 399 O ASN 75 46.318 -1.431 10.622 1.00 19.51 MOLA

ATOM 400 N LYS 76 47.622 -2.259 8.987 1.00 17.30 MOLA

ATOM 401 CA LYS 76 48.590 -1.191 9.113 1.00 21.87 MOLA

ATOM 402 CB LYS 76 49.696 -1.362 8.074 1.00 24.46 MOLA

ATOM 403 CG LYS 76 50.756 -0.243 8.058 1.00 26.04 MOLA

ATOM 404 CD LYS 76 52.048 -0.791 7.452 1.00 23.96 MOLA

ATOM 405 CΞ LYS 76 52.887 0.248 6.742 1.00 24.99 MOLA

ATOM 406 NZ LYS 76 54.001 -0.459 6.047 1.00 26.35 MOLA

ATOM 407 C LYS 76 47.915 0.171 8.958 1.00 25.20 MOLA

ATOM 408 O LYS 76 48.175 1.091 9.744 1.00 25.43 MOLA

ATOM 409 N SΞR 77 47.033 0.300 7.964 1.00 27.23 MOLA

ATOM 410 CA SΞR 77 ^• 46.340 1.571 7.746 1.00 26.22 MOLA

ATOM 411 CB SΞR 77 45.562 1.546 6.420 1.00 31.47 MOLA

ATOM 412 OG SΞR 77 46.435 1.616 5.297 1.00 36.59 MOLA

ATOM 413 C SΞR 77 45.420 1.911 8.923 1.00 23.18 MOLA

ATOM 414 0 SΞR 77 45.438 3.045 9.423 1.00 16.93 MOLA

ATOM 415 N LΞU 78 44.625 0.934 9.365 1.00 22.75 MOLA

ATOM 416 CA LΞU 78 43.725 1.142 10.504 1.00 24.21 MOLA

ATOM 417 CB LΞU 78 42.960 -0.138 10.833 1.00 21.89 MOLA

ATOM 418 CG LΞU 78 41.932 -0.480 9.764 1.00 23.29 MOLA

ATOM 419 CDl LΞU 78 41.334 -1.840 10.051 1.00 23.17 MOLA

ATOM 420 CD2 LΞU 78 40.872 0.612 9.715 1.00 14.98 MOLA

ATOM 421 C LΞU 78 44.522 1.567 11.726 1.00 24.44 MOLA

ATOM 422 O LΞU 78 44.104 2.452 12.482 1.00 23.48 MOLA ATOM 423 N ALA 79 45.674 0.927 11.,915 1.00 26..52 MOLA

ATOM 424 CA ALA 79 46.551 1.237 13. ,036 1.00 29. .99 MOLA

ATOM 425 CB ALA 79 47.726 0.263 13. ,069 1.00 27. .84 MOLA

ATOM 426 C ALA 79 47.058 2.680 12. ,949 1.00 32. .35 MOLA

ATOM 427 O ALA 79 46.994 3.433 13. .934 1.00 36. .34 MOLA

ATOM 428 N ARG 80 47.539 3.080 11. .771 1.00 32. .20 MOLA

ATOM 429 CA ARG 80 48.034 4.443 11. .595 1.00 32. ,92 MOLA

ATOM 430 CB ARG 80 48.574 4.652 10. .188 1.00 34. .78 MOLA

ATOM 431 CG ARG 80 49.707 3.715 9. .823 1.00 42, .20 MOLA

ATOM 432 CD ARG 80 50.880 4.484 9. .260 1.00 46, .94 MOLA

ATOM 433 NΞ ARG 80 50.450 5.374 8. .189 1.00 51, .41 MOLA

ATOM 434 CZ ARG 80 51.189 6.354 7. ,685 1.00 56. .16 MOLA

ATOM 435 NH1 ARG 80 52.413 6.577 8. ,154 1.00 56. .99 MOLA

ATOM 436 NH2 ARG 80 50.693 7.124 6. ,719 1.00 59. .77 MOLA

ATOM 437 C ARG 80 46.943 5.467 11. .866 1.00 31. .94 MOLA

ATOM 438 O ARG 80 47.120 6.371 12. .683 1.00 33. .40 MOLA

ATOM 439 N ALA 81 45.817 5.327 11. .176 1.00 29. ,51 MOLA

ATOM 440 CA ALA 81 44.702 6.248 11. .364 1.00 26. ,76 MOLA

ATOM 441 CB ALA 81 43.481 5.750 10. .631 1.00 25. .44 MOLA

ATOM 442 C ALA 81 44.386 6.341 12. .835 1.00 27. .50 MOLA

ATOM 443 O ALA 81 44.412 7.429 13. .440 1.00 27. .14 MOLA

ATOM 444 N ALA 82 44.086 5.174 13. .401 1.00 27. .30 MOLA

ATOM 445 CA ALA 82 43.736 5.059 14. .809 1.00 28. .94 MOLA

ATOM 446 CB ALA 82 43.721 3.610 15. .218 1.00 25. .68 MOLA

ATOM 447 C ALA 82 44.715 5.838 15. .668 1.00 28. .23 MOLA

ATOM 448 O ALA 82 44.337 6.660 16. .510 1.00 26. .62 MOLA

ATOM 449 N SΞR 83 45.987 5.559 15. .443 1.00 30. .27 MOLA

ATOM 450 CA SΞR 83 47.051 6.203 16. .177 1.00 32, .82 MOLA

ATOM 451 CB SΞR 83 48.380 5.739 15. .609 1.00 31. .32 MOLA

ATOM 452 OG SΞR 83 49.442 6.359 16. .295 1.00 36, .69 MOLA

ATOM 453 C SΞR 83 46.946 7.719 16. .092 1.00 32, .38 MOLA

ATOM 454 O SΞR 83 47.014 8.423 17. .096 1.00 32. .45 MOLA

ATOM 455 N GLN 84 46.777 8.223 14, .883 1.00 32, .63 MOLA

ATOM 456 CA GLN 84 46.685 9.650 14, .690 1.00 33, .09 MOLA

ATOM 457 CB GLN 84 46.784 9.953 13, .209 1.00 35, .15 MOLA

ATOM 458 CG GLN 84 48.080 9.443 12, .629 1.00 35, .88 MOLA

ATOM 459 CD GLN 84 48.085 9.463 11, .123 1.00 40, .27 MOLA

ATOM 460 OE1 GLN 84 48.935 8.840 10, .497 1.00 45, .83 MOLA

ATOM 461 NΞ2 GLN 84 47.142 10.178 10, .529 1.00 38, .82 MOLA

ATOM 462 C GLN 84 45.408 10.227 15, .267 1.00 33, .27 MOLA

ATOM 463 O GLN 84 45.419 11.341 .15 .783 1.00 35, .30 MOLA

ATOM 464 N ALA 85 44.320 9.462 15, .209 1.00 31, .17 MOLA

ATOM 465 CA ALA 85 43.035 9.929 15, .721 1.00 28 .34 MOLA

ATOM 466 CB ALA 85 41.917 9.142 15, .079 1.00 30 .69 MOLA

ATOM 467 C ALA 85 42.890 9.869 17 .235 1.00 26 .15 MOLA

ATOM 468 O ALA 85 42.017 10.523 17 .804 1.00 25 .58 MOLA

ATOM 469 N GLY 86 43.728 9.069 17 .883 1.00 24 .23 MOLA

ATOM 470 CA GLY 86 43.655 8.928 19 .323 1.00 23 .83 MOLA

ATOM 471 C GLY 86 42.596 7.940 19 .781 1.00 26 .46 MOLA

ATOM 472 O GLY 86 42.322 7.822 20 .980 1.00 29 .80 MOLA

ATOM 473 N ILΞ 87 41.989 7.219 18 .844 1.00 23 .69 MOLA

ATOM 474 CA ILΞ 87 40.953 6.262 19, .216 1.00 22 .12 MOLA

ATOM 475 CB ILE 87 39.753 6.351 18, .260 1.00 24, .07 MOLA

ATOM 476 CG2 ILΞ 87 39.338 7.818 18, .087 1.00 18, .43 MOLA

ATOM 477 CGI ILΞ 87 40.118 5.732 16, .913 1.00 24, .22 MOLA ATOM 478 CDl ILΞ 87 38..922 5..258 16,.134 1.00 23,.99 MOLA

ATOM 479 C ILΞ 87 41. .472 4. .833 19, .234 1.00 21, .11 MOLA

ATOM 480 O ILΞ 87 42. .268 4, .446 18, .387 1.00 23, .27 MOLA

ATOM 481 N PRO 88 41. .022 4, .017 20, .202 1.00 21, .34 MOLA

ATOM 482 CD PRO 88 40. .053 4, .331 21, .274 1.00 18, .44 MOLA

ATOM 483 CA PRO 88 41. .497 2. .621 20, .275 1.00 20, .55 MOLA

ATOM 484 CB PRO 88 40. .936 2. .128 21, .619 1.00 16, .25 MOLA

ATOM 485 CG PRO 88 39. .718 2, .953 21, .828 1.00 15, .74 MOLA

ATOM 486 C PRO 88 41. .126 1. .731 19, .079 1.00 21, .83 MOLA

ATOM 487 O PRO 88 40. .139 1. .961 18, .398 1.00 23, .25 MOLA

ATOM 488 N LΞU 89 41. .948 0. .723 18, .817 1.00 23, .70 MOLA

ATOM 489 CA LΞU 89 41. .730 -0. .195 17, .688 1.00 23, .46 MOLA

ATOM 490 CB LΞϋ 89 42. .894 -0. .098 16, .675 1.00 18, .87 MOLA

ATOM 491 CG LΞU 89 43. .025 -1. .260 15, .675 1.00 15, .92 MOLA

ATOM 492 CDl LΞU 89 41. .979 -1. .094 14, .596 1.00 16, .74 MOLA

ATOM 493 CD2 LΞϋ 89 44. .409 -1, .302 15, .054 1.00 12, .00 MOLA

ATOM 494 C LΞU 89 41. .635 -1. .651 18, .150 1.00 25, .27 MOLA

ATOM 495 O LΞU 89 42. ,484 -2. .139 18. .916 1.00 27, .88 MOLA

ATOM 496 N ALA 90 40. .624 -2, .360 17. .665 1.00 22. .85 MOLA

ATOM 497 CA ALA 90 40. .477 -3, .764 18. .029 1.00 21, .45 MOLA

ATOM 498 CB ALA 90 39. .060 -4. .034 18. .469 1.00 17, .23 MOLA

ATOM 499 C ALA 90 40. .804 -4, .569 16, .778 1.00 22, .89 MOLA

ATOM 500 O ALA 90 40. .250 -4, .276 15, .732 1.00 27, .13 MOLA

ATOM 501 N VAL 91 41. .700 -5, .556 16, .858 1.00 21, .54 MOLA

ATOM 502 CA VAL 91 42. .038 -6. .346 15. .670 1.00 20, .16 MOLA

ATOM 503 CB VAL 91 43. .472 -6, .939 15, .755 1.00 16, .30 MOLA

ATOM 504 CGI VAL 91 44. .474 -5. .841 15, .911 1.00 11, .07 MOLA

ATOM 505 CG2 VAL 91 43. .565 -7. .934 16, .896 1.00 12, .70 MOLA

ATOM 506 C VAL 91 41. .062 -7. .510 15. .452 1.00 24, .44 MOLA

ATOM 507 O VAL 91 40. .315 -7. .890 16. .363 1.00 27, .45 MOLA

ATOM 508 N GLY 92 41. .057 -8. .074 14, .243 1.00 24, .73 MOLA

ATOM 509 CA GLY 92 40. .180 -9, .206 13. .980 1.00 23, .25 MOLA

ATOM 510 C GLY 92 40. .741 -10, .426 14. .684 1.00 24, .72 MOLA

ATOM 511 O GLY 92 41. .792 -10, .335 15. .319 1.00 24, .97 MOLA

ATOM 512 N SER 93 40, .059 -11. .567 14. .583 1.00 25, .91 MOLA

ATOM 513 CA SΞR 93 40, .520 -12. .810 15, .218 1.00 23, .16 MOLA

ATOM 514 CB SΞR 93 39, .665 -13. .975 14, .778 1.00 21, .64 MOLA

ATOM 515 OG SER 93 40, .130 -15. .163 15. .396 1.00 26. .13 MOLA

ATOM 516 C SΞR 93 41, .969 -13. .152 14, .930 1.00 23, .88 MOLA

ATOM 517 O SΞR 93 42, .418 -13, .066 13, .792 1.00 24, .98 MOLA

ATOM 518 N GLN 94 42. .686 -13. .574 15, .967 1.00 24. .37 MOLA

ATOM 519 CA GLN 94 44. .105 -13, .932 15, .852 1.00 25, .81 MOLA

ATOM 520 CB GLN 94 44. .869 -13. .304 17, .008 1.00 19, .87 MOLA

ATOM 521 CG GLN 94 44, .748 -11, .816 17, .009 1.00 17, .85 MOLA

ATOM 522 CD GLN 94 45, .385 -11, .181 18, .205 1.00 19, .58 MOLA

ATOM 523 OE1 GLN 94 46, .602 -11. .205 18, .360 1.00 24, .40 MOLA

ATOM 524 NΞ2 GLN 94 44, .566 -10. .605 19, .069 1.00 17, .83 MOLA

ATOM 525 C GLN 94 44, .394 -15. .424 15, .832 1.00 29, .47 MOLA

ATOM 526 0 GLN 94 45, .552 -15. .838 15, .819 1.00 29 .85 MOLA

ATOM 527 N MΞT 95 43. .338 -16. .228 15, .837 1.00 32, .82 MOLA

ATOM 528 CA MΞT 95 43. .457 -17, .681 15, .856 1.00 35, .08 MOLA

ATOM 529 CB MET 95 42. .064 -18, .287 15, .747 1.00 34, .86 MOLA

ATOM 530 CG MET 95 41. .928 -19, .681 16, .304 1.00 37, .92 MOLA

ATOM 531 SD MΞT 95 42. .533 -19, .838 17, .991 1.00 44, .33 MOLA

ATOM 532 CE MΞT 95 44. .041 -20, .673 17, .666 1.00 42. .95 MOLA ATOM 533 C MET 95 44.363 -18.197 14.745 1.00 35.97 MOLA

ATOM 534 O MET 95 45.070 -19.185 14.915 1.00 36.75 MOLA

ATOM 535 N SΞR 96 44.348 -17.530 13.601 1.00 37.19 MOLA

ATOM 536 CA SΞR 96 45.175 -17.948 12.487 1.00 39.35 MOLA

ATOM 537 CB SΞR 96 44.689 -17.319 11.199 1.00 40.33 MOLA

ATOM 538 OG SΞR 96 43.404 -17.806 10.884 1.00 47.97 MOLA

ATOM 539 C SΞR 96 46.623 -17.579 12.695 1. 00 41.37 MOLA

ATOM 540 O SΞR 96 47.504 -18.367 12.374 1.00 47.22 MOLA

ATOM 541 N ALA 97 46.883 -16.384 13.219 1.00 40.89 MOLA

ATOM 542 CA ALA 97 48.250 -15.934 13.459 1.00 39.46 MOLA

ATOM 543 CB ALA 97 48.264 -14.456 13.839 1.00 38.54 MOLA

ATOM 544 C ALA 97 48.890 -16.762 14.565 1.00 42.28 MOLA

ATOM 545 O ALA 97 50.109 -16.893 14.633 1.00 45.75 MOLA

ATOM 546 N LΞU 98 48.067 -17.323 15.439 1.00 42.19 MOLA

ATOM 547 CA LΞU 98 48.567 -18.139 16.532 1.00 42.42 MOLA

ATOM 548 CB LΞU 98 47.402 -18.575 17.408 1.00 35.36 MOLA

ATOM 549 CG LΞU 98 47.368 -17.983 18.807 1.00 30.33 MOLA

ATOM 550 CDl LΞU 98 47.774 -16.515 18.810 1.00 32.28 MOLA

ATOM 551 CD2 LΞU 98 45.985 -18.165 19.329 1.00 25.82 MOLA

ATOM 552 C LΞU 98 49.318 -19.365 16.020 1.00 45.97 MOLA

ATOM 553 O LΞU 98 50.193 -19.908 16.709 1.00 46.79 MOLA

ATOM 554 N LYS 99 48.968 -19.772 14.796 1.00 49.10 MOLA

ATOM 555 CA LYS 99 49.536 -20.938 14.123 1.00 49.77 MOLA

ATOM 556 CB LYS 99 48.397 -21.839 13.673 1.00 50.54 MOLA

ATOM 557 CG LYS 99 47.541 -22.319 14.823 1.00 57.10 MOLA

ATOM 558 CD LYS 99 46.087 -22.480 14.422 1.00 61.40 MOLA

ATOM 559 CE LYS 99 45.271 -23.055 15.583 1.00 64.91 MOLA

ATOM 560 NZ LYS 99 43.804 -22.995 15.309 1.00 65.35 MOLA

ATOM 561 C LYS 99 50.440 -20.601 12.940 1.00 48.47 MOLA

ATOM 562 O LYS 99 51.414 -21.307 12.689 1.00 50.52 MOLA

ATOM 563 N ASP 100 50.130 -19.534 12.210 1.00 46.60 MOLA

ATOM 564 CA ASP 100 50.921 -19.132 11.045 1.00 46.74 MOLA

ATOM 565 CB ASP 100 50.002 -18.813 9.872 1.00 48.60 MOLA

ATOM 566 CG ASP 100 50.775 -18.494 8.607 1.00 53.73 MOLA

ATOM 567 OD1 ASP 100 51.678 -17.631 8.644 1.00 54.73 MOLA

ATOM 568 OD2 ASP 100 50.485 -19.113 7.568 1.00 59.76 MOLA

ATOM 569 C ASP 100 51.827 -17.924 11.283 1.00 47.39 MOLA

ATOM 570 O ASP 100 51.354 -16.836 11.595 1.00 49.54 MOLA

ATOM 571 N PRO 101 53.145 -18.086 11.098 1.00 47.14 MOLA

ATOM 572 CD PRO 101 53.855 -19.342 10.794 1.00 46.91 MOLA

ATOM 573 CA PRO 101 54.107 -16.994 11.306 1.00 45.10 MOLA

ATOM 574 CB PRO 101 55.455 -17.674 11.071 1.00 44.62 MOLA

ATOM 575 CG PRO 101 55.192 -19.103 11.433 1.00 45.79 MOLA

ATOM 576 C PRO 101 53.931 -15.789 10.392 1.00 44.73 MOLA

ATOM 577 O PRO 101 54.060 -14.640 10.801 1. 00 43.77 MOLA

ATOM 578 N SΞR 102 53.679 -16.070 9.130 1.00 45.28 MOLA

ATOM 579 CA SΞR 102 53.523 -15.040 8.136 1.00 44.54 MOLA

ATOM 580 CB SΞR 102 53.301 -15.710 6.776 1.00 43.80 MOLA

ATOM 581 OG SΞR 102 53.394 -14.785 5.713 1.00 48.32 MOLA

ATOM 582 C SΞR 102 52.341 -14.153 8.506 1.00 45.13 MOLA

ATOM 583 O SΞR 102 52.429 -12.923 8.493 1.00 46.31 MOLA

ATOM 584 N GLU 103 51.227 -14.778 8.848 1.00 45.42 MOLA

ATOM 585 CA GLU 103 50.048 -14.012 9.179 1.00.46.85 MOLA

ATOM 586 CB GLU 103 48.861 -14.954 9.350 1.00 47.92 MOLA

ATOM 587 CG GLU 103 47.536 -14.277 9.291 1.00 57.41 MOLA ATOM 588 CD GLU 103 46,.402 -15.284 9..398 1.00 67,.32 MOLA

ATOM 589 OΞl GLU 103 45, .252 -14.869 9. .704 1.00 69, .03 MOLA

ATOM 590 OΞ2 GLU 103 46, .673 -16.492 9, .171 1.00 71, .72 MOLA

ATOM 591 C GLU 103 50, .291 -13.181 10, .437 1.00 45, .83 MOLA

ATOM 592 O GLU 103 49, .873 -12.023 10. .515 1.00 47, .55 MOLA

ATOM 593 N ARG 104 50, .994 -13.762 11. .411 1.00 42, .87 MOLA

ATOM 594 CA ARG 104 51, .307 -13.066 12, .663 1.00 35, .96 MOLA

ATOM 595 CB ARG 104 52, .346 -13.852 13. .442 1.00 33, .23 MOLA

ATOM 596 CG ARG 104 52, .922 -13.160 14, .658 1.00 32, .80 MOLA

ATOM 597 CD ARG 104 53. .884 -14.096 15, .397 1.00 34. .56 MOLA

ATOM 598 NΞ ARG 104 53, .271 -14.828 16, .507 1.00 36, .38 MOLA

ATOM 599 CZ ARG 104 53, .211 -14.368 17, .758 1.00 41, .50 MOLA

ATOM 600 NHl ARG 104 52, .637 -15.101 18, .713 1.00 42, .70 MOLA

ATOM 601 NH2 ARG 104 53, .723 -13.173 18, .054 1.00 36, .23 MOLA

ATOM 602 C ARG 104 51, .783 -11.633 12, .443 1.00 34, .49 MOLA

ATOM 603 O ARG 104 51, .394 -10.735 13. .181 1.00 37. .55 MOLA

ATOM 604 N LEU 105 52, .605 -11.408 11. .422 1.00 33, .76 MOLA

ATOM 605 CA LEU 105 53, .120 -10.063 11, .123 1.00 34, .36 MOLA

ATOM 606 CB LEU 105 54, .078 -10.095 9, .934 1.00 35. .74 MOLA

ATOM 607 CG LEU 105 55, .447 -10.730 10, .164 1.00 37, .92 MOLA

ATOM 608 CDl LΞU 105 56, .223 -10.789 8, .853 1.00 36, .99 MOLA

ATOM 609 CD2 LΞU 105 56, .201 -9.910 11, .222 1.00 36, .78 MOLA

ATOM 610 C LEU 105 52, .017 -9.058 10, .820 1.00 33. .76 MOLA

ATOM 611 O LΞU 105 52, .203 -7.853 11, .002 1.00 31. .18 MOLA

ATOM 612 N SΞR 106 50, .880 -9.567 10, .348 1.00 34. • 58 MOLA

ATOM 613 CA SΞR 106 49, .720 -8.745 10, .004 1.00 36, .67 MOLA

ATOM 614 CB SΞR 106 48. .684 -9.573 9, .215 1.00 36, .64 MOLA

ATOM 615 OG SΞR 106 49. .174 -9.975 7, .940 1.00 37. .26 MOLA

ATOM 616 C SΞR 106 49, .053 -8.141 11, .244 1.00 36. .90 MOLA

ATOM 617 O SΞR 106 48, .128 -7.322 11, .125 1.00 36. .75 MOLA

ATOM 618 N TYR 107 49, .513 -8.566 12, .423 1.00 34, .14 MOLA

ATOM 619 CA TYR 107 48, .972 -8.069 13, .678 1.00 28. .21 MOLA

ATOM 620 CB TYR 107 48, .393 -9.209 14. .517 1.00 29, .20 MOLA

ATOM 621 CG TYR 107 47, .214 -9.873 13. .852 1.00 30, .26 MOLA

ATOM 622 CDl TYR 107 47, .403 -10.792 12. .820 1.00 33, .38 MOLA

ATOM 623 CΞl TYR 107 46. .335 -11.333 12^, .126 1.00 34, .05 MOLA

ATOM 624 CD2 TYR 107 45, .909 -9.518 14. .181 1.00 31, ,95 MOLA

ATOM 625 CΞ2 TYR 107 44, .823 -10.055 13, ,487 1.00 35, ,67 MOLA

ATOM 626 CZ TYR 107 45, .050 -10.961 12. .457 1.00 35, .85 MOLA

ATOM 627 OH TYR 107 43, .999 -11.480 11. .732 1.00 41, .08 MOLA

ATOM 628 C TYR 107 50, .045 -7.354 14. .453 1.00 26, .61 MOLA

ATOM 629 O TYR 107 49, .785 -6.334 15. .079 1.00 28, .82 MOLA

ATOM 630 N GLU 108 51, .263 -7.880 14. .418 1.00 25, .41 MOLA

ATOM 631 CA GLU 108 52, .369 -7.251 15. .133 1.00 22, .81 MOLA

ATOM 632 CB GLU 108 53, .636 -8.069 14. .944 1.00 17, .92 MOLA

ATOM 633 CG GLU 108 53, .576 -9.396 15. .619 1.00 24. .16 MOLA

ATOM 634 CD GLU 108 54, .833 -10.219 15. .419 1.00 30, .82 MOLA

ATOM 635 OΞl GLU 108 54, .936 -11.323 16. .014 1.00 33, .80 MOLA

ATOM 636 OΞ2 GLU 108 55, .710 -9.751 14. .655 1.00 35. .25 MOLA

ATOM 637 C GLU 108 52, .580 -5.810 14. .652 1.00 23. .28 MOLA

ATOM 638 O GLU 108 53, .010 -4.931 15. .419 1.00 23. .18 MOLA

ATOM 639 N ILΞ 109 52, .253 -5.591 13. .378 1.00 24. .29 MOLA

ATOM 640 CA ILΞ 109 52, .375 -4.302 12. .700 1.00 26, .24 MOLA

ATOM 641 CB ILE 109 52, .008 -4.469 11. .199 1.00 27, .04 MOLA

ATOM 642 CG2 ILΞ 109 50, .614 -5.058 11. .083 1.00 29, .11 MOLA ATOM 643 CGI ILΞ 109 52.,033 -3.130 10.,461 1.00 23.,31 MOLA

ATOM 644 CDl ILΞ 109 53. ,355 -2.438 10. .489 1.00 24. ,41 MOLA

ATOM 645 C ILE 109 51. ,467 -3.255 13. .347 1.00 25. ,68 MOLA

ATOM 646 O ILΞ 109 51. ,776 -2.058 13. .373 1.00 25. .74 MOLA

ATOM 647 N VAL 110 50. ,341 -3.715 13. .872 1.00 24. .97 MOLA

ATOM 648 CA VAL 110 49. ,397 -2.830 14. .522 1.00 24. .72 MOLA

ATOM 649 CB VAL 110 48. ,201 -3.620 15. .069 1.00 24. ,28 MOLA

ATOM 650 CGI VAL 110 47. ,299 -2.723 15. .847 1.00 28. ,24 MOLA

ATOM 651 CG2 VAL 110 47. ,429 -4.237 13. .924 1.00 27, ,32 MOLA

ATOM 652 C VAL 110 50. ,083 -2.089 15. .651 1.00 24, ,56 MOLA

ATOM 653 O VAL 110 49. .960 -0.871 15. .756 1.00 26. .90 MOLA

ATOM 654 N ARG 111 50. .817 -2.810 16. .492 1.00 24. ,54 MOLA

ATOM 655 CA ARG 111 51. .514 -2.189 17. .610 1.00 23. ,27 MOLA

ATOM 656 CB ARG 111 51. .886 -3.239 18. .661 1.00 18. .01 MOLA

ATOM 657 CG ARG 111 52. .652 -2.665 19. .849 1.00 20. .94 MOLA

ATOM 658 CD ARG 111 51. .892 -1.538 20. .529 1.00 22. .16 MOLA

ATOM 659 NΞ ARG 111 50. .751 -2.042 21. .289 1.00 25. .04 MOLA

ATOM 660 CZ ARG 111 49. ,744 -1.287 21. .717 1.00 26. ,01 MOLA

ATOM 661 NHl ARG 111 48. .750 -1.837 22. .411 1.00 25. ,18 MOLA

ATOM 662 NH2 ARG 111 49. .723 0.009 21. .431 1.00 25. ,13 MOLA

ATOM 663 C ARG 111 52, .760 -1.435 17. .146 1.00 23. ,67 MOLA

ATOM 664 O ARG 111 53, .153 -0.433 17. .748 1.00 23, .67 MOLA

ATOM 665 N LYS 112 53, .378 -1.924 16, .075 1.00 22, .69 MOLA

ATOM 666 CA LYS 112 54. .570 -1.301 15, .497 1.00 20, .41 MOLA

ATOM 667 CB LYS 112 55, .104 -2.173 14, ,369 1.00 20. .54 MOLA

ATOM 668 CG LYS 112 56, .256 -1.618 13, ,570 1.00 19. .11 MOLA

ATOM 669 CD LYS 112 57, .025 -2.762 12, .909 1.00 20. .64 MOLA

ATOM 670 CΞ LYS 112 58, .007 -2.245 11, .873 1.00 25. .16 MOLA

ATOM 671 NZ LYS 112 58, .908 -3.309 11, .352 1.00 23. .94 MOLA

ATOM 672 C LYS 112 54, .247 0.077 14, .963 1.00 20. .72 MOLA

ATOM 673 O LYS 112 55, .072 0.977 14, .997 1.00 19. .61 MOLA

ATOM 674 N GLU 113 53, .028 0.253 14, .479 1.00 24. .98 MOLA

ATOM 675 CA GLU 113 52, .640 1.532 13, .924 1.00 28. .91 MOLA

ATOM 676 CB GLU 113 51, .782 1.323 12, • 693 1.00 31, .52 MOLA

ATOM 677 CG GLU 113 51, .983 2.431 11, .666 1.00 34. .59 MOLA

ATOM 678 CD GLU 113 53, .233 2.222 10, .826 1.00 33, .14 MOLA

ATOM 679 OΞl GLU 113 53, .588 3.162 10, .088 1.00 34, .87 MOLA

ATOM 680 OΞ2 GLU 113 53, .847 1.125 10, .898 1.00 31, .64 MOLA

ATOM 681 C GLU 113 51, .909 2.401 14, .924 1.00 32, .14 MOLA

ATOM 682 O GLU 113 51, .877 3.632 14, .795 1.00 34. .84 MOLA

ATOM 683 N ASN 114 51, .318 1.755 15, .922 1.00 30, .57 MOLA

ATOM 684 CA ASN 114 50, .596 2.462 16, .967 1.00 28. .20 MOLA

ATOM 685 CB ASN 114 49, .111 2.123 16, .894 1.00 27, .05 MOLA

ATOM 686 CG ASN 114 48 .301 2.846 17, .935 1.00 24, .50 MOLA

ATOM 687 OD1 ASN 114 47 .101 2.652 18 .049 1.00 25, .11 MOLA

ATOM 688 ND2 ASN 114 48, .956 3.693 18, .698 1.00 26. .82 MOLA

ATOM 689 C ASN 114 51, .166 2.049 18, .305 1.00 27, .01 MOLA

ATOM 690 O ASN 114 50 .549 1.268 19, .045 1.00 31, .74 MOLA

ATOM 691 N PRO 115 52 .357 2.559 18 .659 1.00 23, .61 MOLA

ATOM 692 CD PRO 115 53 .171 3.504 17 .893 1.00 22, .14 MOLA

ATOM 693 CA PRO 115 53 .032 2.237 19 .926 1.00 24, .42 MOLA

ATOM 694 CB PRO 115 54, .446 2.728 19, .693 1.00 19, .36 MOLA

ATOM 695 CG PRO 115 54, .201 3.976 18, .936 1.00 17, .19 MOLA

ATOM 696 C PRO 115 52 .443 2.823 21 .209 1.00 24, .13 MOLA

ATOM 697 O PRO 115 52 .742 2.322 22 .285 1.00 25, .41 MOLA ATOM 698 N ASN 116 51.620 3.868 21.112 1.00 21.76 MOLA

ATOM 699 CA ASN 116 51.087 4.446 22.342 1.00 22.05 MOLA

ATOM 700 CB ASN 116 51.563 5.885 22.469 1.00 27.84 MOLA

ATOM 701 CG ASN 116 53.060 6.007 22.274 1.00 32.17 MOLA

ATOM 702 OD1 ASN 116 53.521 6.451 21.225 1.00 38.07 MOLA

ATOM 703 ND2 ASN 116 53.830 5.586 23.279 1.00 32.19 MOLA

ATOM 704 C ASN 116 49.584 4.388 22.509 1.00 17.98 MOLA

ATOM 705 O ASN 116 49.056 4.832 23.520 1.00 16.90 MOLA

ATOM 706 N GLY 117 48.899 3.814 21.531 1.00 17.90 MOLA

ATOM 707 CA GLY 117 47.457 3.727 21.600 1.00 15.04 MOLA

ATOM 708 C GLY 117 46.902 2.427 22.161 1.00 17.88 MOLA

ATOM 709 O GLY 117 47.604 1.415 22.281 1.00 14.76 MOLA

ATOM 710 N LΞU 118 45.623 2.471 22.527 1.00 15.53 MOLA

ATOM 711 CA LΞU 118 44.940 1.314 23.054 1.00 13.31 MOLA

ATOM 712 CB LΞU 118 43.621 1.725 23.697 1.00 9.47 MOLA

ATOM 713 CG LΞU 118 43.786 2.615 24.927 1.00 12.59 MOLA

ATOM 714 CDl LΞU 118 42.448 2.924 25.535 1.00 8.66 MOLA

ATOM 715 CD2 LΞU 118 44.655 1.897 25.934 1.00 9.07 MOLA

ATOM 716 C LΞU 118 44.672 0.356 21.912 1.00 14.83 MOLA

ATOM 717 O LΞU 118 44.242 0.765 20.829 1.00 16.07 MOLA

ATOM 718 N ILΞ 119 44.947 -0.921 22.144 1.00 16.03 MOLA

ATOM 719 CA ILΞ 119 44.697 -1.949 21.152 1.00 19.37 MOLA

ATOM 720 CB ILΞ 119 46.008 -2.322 20.402 1.00 18.79 MOLA

ATOM 721 CG2 ILΞ 119 45.731 -3.377 19.335 1.00 16.70 MOLA

ATOM 722 CGI ILΞ 119 46.565 -1.070 19.725 1.00 22.44 MOLA

ATOM 723 CDl ILΞ 119 47.715 -1.332 18.813 1.00 26.97 MOLA

ATOM 724 C ILΞ 119 44.104 -3.170 21.847 1.00 18.69 MOLA

ATOM 725 O ILΞ 119 44.590 -3.572 22.906 1.00 18.62 MOLA

ATOM 726 N PHΞ 120 43.040 -3.727 21.265 1.00 16.41 MOLA

ATOM 727 CA PHΞ 120 42.403 -4.915 21.827 1.00 15.98 MOLA

ATOM 728 CB PHΞ 120 40.873 -4.738 21.963 1.00 10.95 MOLA

ATOM 729 CG PHΞ 120 40.458 -3.438 22.601 1.00 12.84 MOLA

ATOM 730 CDl PHΞ 120 41.350 -2.720 23.387 1.00 10.65 MOLA

ATOM 731 CD2 PHE 120 39 • io7 -2.895 22.376 1.00 10.70 MOLA

ATOM 732 CΞl PHΞ 120 41.002 -1.485 23.932 1.00 11.28 MOLA

ATOM 733 CΞ2 PHΞ 120 38.832 -1.653 22.922 1.00 9.75 MOLA

ATOM 734 CZ PHΞ 120 39.740 -0.951 23.696 1.00 7.23 MOLA

ATOM 735 C PHΞ 120 42.709 -6.117 20.944 1.00 13.83 MOLA

ATOM 736 O PHΞ 120 42.619 -6.037 19.727 1.00 12.93 MOLA

ATOM 737 N ALA 121 43.112 -7.216 21.572 1.00 15.51 MOLA

ATOM 738 CA ALA 121 43.410 -8.455 20.860 1.00 18.68 MOLA

ATOM 739 CB ALA 121 44.384 -9.334 21.667 1.00 16.42 MOLA

ATOM 740 C ALA 121 42.049 -9.150 20.690 1.00 22.12 MOLA

ATOM 741 O ALA 121 41.067 -8.767 21.344 1.00 20.97 MOLA

ATOM 742 N ASN 122 42.012 -10.179 19.839 1.00 23.43 MOLA

ATOM 743 CA ASN 122 40.759 -10.858 19.548 1.00 21.49 MOLA

ATOM 744 CB ASN 122 40.150 -10.209 18.299 1.00 23.87 MOLA

ATOM 745 CG ASN 122 38.721 -10.620 18.053 1.00 24.84 MOLA

ATOM 746 OD1 ASN 122 38.440 -11.658 17.459 1.00 27.29 MOLA

ATOM 747 ND2 ASN 122 37.799 -9.799 18.523 1.00 29.91 MOLA

ATOM 748 C ASN 122 40.863 -12.362 19.342 1.00 20.39 MOLA

ATOM 749 O ASN 122 41.716 -12.834 18.603 1.00 21.54 MOLA

ATOM 750 N LΞU 123 39.964 -13.103 19.986 1.00 19.53 MOLA

ATOM 751 CA LΞU 123 39.877 -14.556 19.889 1.00 17.18 MOLA

ATOM 752 CB LΞU 123 40.834 -15.237 20.879 1.00 16.01 MOLA ATOM 753 CG LΞU 123 42..342 -15.,330 20..586 1.00 16.,69 MOLA

ATOM 754 CDl LΞU 123 43. .022 -16. ,264 21. .594 1.00 13. ,00 MOLA

ATOM 755 CD2 LΞU 123 42. .560 -15. .845 19. .172 1.00 10. ,02 MOLA

ATOM 756 C LΞU 123 38. .439 -15. .051 20. .146 1.00 17. ,69 MOLA

ATOM 757 O LΞU 123 37. .622 -14. .374 20. .761 1.00 16. ,71 MOLA

ATOM 758 N GLY 124 38. .148 -16. .257 19. .675 1.00 21. .93 MOLA

ATOM 759 CA GLY 124 36. .827 -16. .830 19. .866 1.00 23. .13 MOLA

ATOM 760 C GLY 124 36. .707 -17. .406 21. .251 1.00 25. .99 MOLA

ATOM 761 O GLY 124 37. .707 -17. .604 21. .930 1.00 27. .88 MOLA

ATOM 762 N SΞR 125 35. .480 -17. ,675 21. .669 1.00 29. .20 MOLA

ATOM 763 CA SΞR 125 35. .230 -18. .216 22. .991 1.00 32. ,74 MOLA

ATOM 764 CB SΞR 125 33. .728 -18. .185 23. .282 1.00 32. .98 MOLA

ATOM 765 OG SΞR 125 33, .067 -19. .186 22. .537 1.00 32, .01 MOLA

ATOM 766 C SΞR 125 35, .759 -19, .648 23. .141 1.00 35, .73 MOLA

ATOM 767 O SΞR 125 35, .687 -20, .231 24. .226 1.00 38. .38 MOLA

ATOM 768 N GLU 126 36, .269 -20, .228 22. .057 1.00 36. .04 MOLA

ATOM 769 CA GLU 126 36, .808 -21, .585 22, .116 1.00 35. .50 MOLA

ATOM 770 CB GLU 126 36, .700 -22, .266 20. .751 1.00 35, .41 MOLA

ATOM 771 CG GLU 126 37, .709 -21, .756 19. .747 1.00 39, .85 MOLA

ATOM 772 CD GLU 126 37, .135 -20, .712 18. .809 1.00 44, .88 MOLA

ATOM 773 OΞl GLU 126 36, .163 -20, .018 19. .195 1.00 47, .02 MOLA

ATOM 774 OΞ2 GLU 126 37, .666 -20, .583 17. .686 1.00 45. .89 MOLA

ATOM 775 C GLU 126 38. .277 -21, .529 22, .545 1.00 37, .10 MOLA

ATOM 776 O GLU 126 38, .804 -22, .469 23. .136 1.00 40, .57 MOLA

ATOM 777 N ALA 127 38, .931 -20, .411 22. .244 1.00 36, .23 MOLA

ATOM 778 CA ALA 127 40. .337 -20, .194 22. .592 1.00 32, .73 MOLA

ATOM 779 CB ALA 127 40, .677 -18, .714 22, .439 1.00 32, .69 MOLA

ATOM 780 C ALA 127 40, .675 -20, .654 24, .004 1.00 29, .47 MOLA

ATOM 781 O ALA 127 39, .826 -20, .619 24. .887 1.00 30. .48 MOLA

ATOM 782 N THR 128 41, .924 -21, .077 24, .201 1.00 27, .04 MOLA

ATOM 783 CA THR 128 42, .422 -21, .535 25. .511 1.00 25, .86 MOLA

ATOM 784 CB THR 128 43, .372 -22, .735 25, .374 1.00 24, .62 MOLA

ATOM 785 OGl THR 128 44, .519 -22, .377 24, .586 1.00 25. .88 MOLA

ATOM 8 CG2 THR 128 42, .662 -23, ■ coo 24, .727 1.00 23, .62 MOLA

ATOM 787 C THR 128 43, .208 -20, .429 26, .203 1.00 24, .83 MOLA

ATOM 788 O THR 128 43, .805 -19, .577 25, .531 1.00 25, .96 MOLA

ATOM 789 N ALA 129 43, .234 -20, .442 27, .532 1.00 18, .95 MOLA

ATOM 790 CA ALA 129 43, .978 -19, .407 28, .240 1.00 19, .44 MOLA

ATOM 791 CB ALA 129 44, .115 -19, .761 29, .712 1.00 14, .12 MOLA

ATOM 792 C ALA 129 45, .372 -19, .149 27, .615 1.00 19, .82 MOLA

ATOM 793 O ALA 129 45, .783 -17, .993 27, .466 1.00 18, .94 MOLA

ATOM 794 N ALA 130 46, .083 -20, .208 27, .227 1.00 17. .84 MOLA

ATOM 795 CA ALA 130 47, .407 -20 .058 26, .619 1.00 18, .22 MOLA

ATOM 796 CB ALA 130 48 .002 -21, .403 26, .331 1.00 16. .98 MOLA

ATOM 797 C ALA 130 47 .326 -19, .261 25, .342 1.00 21, .20 MOLA

ATOM 798 O ALA 130 48 .145 -18, .374 25, .078 1.00 22, .67 MOLA

ATOM 799 N GLN 131 46 .337 -19, .586 24, .532 1.00 22, .94 MOLA

ATOM 800 CA GLN 131 46 .154 -18, .871 23, .295 1.00 24, .24 MOLA

ATOM 801 CB GLN 131 45 .043 -19, .518 22, .489 1.00 23, .51 MOLA

ATOM 802 CG GLN 131 45 .454 -20 .843 21, .952 1.00 24, .62 MOLA

ATOM 803 CD GLN- 131 44 .326 -21, .589 21, .322 1.00 26, .74 MOLA

ATOM 804 OΞl GLN 131 44 .526 -22 .359 20, .401 1.00 31, .15 MOLA

ATOM 805 NΞ2 GLN 131 43 .126 -21 .384 21, .831 1.00 31, .46 MOLA

ATOM 806 C GLN 131 45 .827 -17 .413 23, .595 1.00 24, .90 MOLA

ATOM 807 O GLN 131 46 .381 -16 .507 22, .971 1.00 23, .40 MOLA ATOM 808 N ALA 132 44..943 -17..182 24,.565 1.00 23..86 MOLA

ATOM 809 CA ALA 132 44, .544 -15, .825 24, .938 1.00 23, .30 MOLA

ATOM 810 CB ALA 132 43, .580 -15, .858 26 .113 1.00 19, .54 MOLA

ATOM 811 C ALA 132 45, .755 -14, .994 25, .301 1.00 26, .09 MOLA

ATOM 812 O ALA 132 45, .935 -13, .866 24, .828 1.00 27. .31 MOLA

ATOM 813 N LYS 133 46, .595 -15, .554 26, .154 1.00 26, .89 MOLA

ATOM 814 CA LYS 133 47, .786 -14, .867 26, .600 1.00 26. .08 MOLA

ATOM 815 CB LYS 133 48. .486 -15, .703 27, .661 1.00 26. .42 MOLA

ATOM 816 CG LYS 133 49, .623 -14, .995 28, .344 1.00 31. .55 MOLA

ATOM 817 CD LYS 133 50, .370 -15, .925 29, .281 1.00 35, .25 MOLA

ATOM 818 CΞ LYS 133 51, .638 -15, .262 29, .810 1.00 34, .85 MOLA

ATOM 819 NZ LYS 133 52, .533 -16, .208 30, .548 1.00 38. .57 MOLA

ATOM 820 C LYS 133 48, .725 -14, .600 25, .434 1.00 25. .61 MOLA

ATOM 821 O LYS 133 49, .272 -13, .504 25, .289 1.00 24, .55 MOLA

ATOM 822 N GLU 134 48, .902 -15, .610 24, .594 1.00 24, .70 MOLA

ATOM 823 CA GLU 134 49, .793 -15. .486 23, .455 1.00 24. .66 MOLA

ATOM 824 CB GLU 134 49, .962 -16, .844 22. .778 1.00 28. .05 MOLA

ATOM 825 CG GLU 134 51, .171 -16, .935 21, .870 1.00 41, .49 MOLA

ATOM 826 CD GLU 134 51. .162 -18, .210 21. .023 1,00 50, .49 MOLA

ATOM 827 OΞl GLU 134 51, .880 -18, .244 19. .988 1.00 54. ,56 MOLA

ATOM 828 OΞ2 GLU 134 50, .439 -19, .169 21, .392 1.00 51, .50 MOLA

ATOM 829 C GLU 134 49, .292 -14. .428 22. .469 1.00 21. .57 MOLA

ATOM 830 O GLU 134 50, .086 -13. .667 21, .920 1.00 22. ,00 MOLA

ATOM 831 N ALA 135 47. .978 -14, .351 22, .267 1.00 21, ,78 MOLA

ATOM 832 CA ALA 135 47, .394 -13, .359 21, .362 1.00 20, .40 MOLA

ATOM 833 CB ALA 135 45, .885 -13, .598 21, .213 1.00 18, .86 MOLA

ATOM 834 C ALA 135 47, .659 -11, .958 21, .919 1.00 20. ,43 MOLA

ATOM 835 0 ALA 135 48. .013 -11, .040 21, .182 1.00 23, .68 MOLA

ATOM 836 N VAL 136 47, .489 -11. .798 23, .226 1.00 19. .31 MOLA

ATOM 837 CA VAL 136 47, .746 -10, .516 23, .882 1.00 17. .59 MOLA

ATOM 838 CB VAL 136 47, .425 -10, .588 25, .379 1.00 12, .97 MOLA

ATOM 839 CGI VAL 136 47, .799 -9, .304 26, .056 1.00 4. .12 MOLA

ATOM 840 CG2 VAL 136 45, .947 -10, .870 25, .566 1.00 12. .35 MOLA

ATOM 841 C VAL 136 49, .211 -10, .072 23, .739 1.00 21, .10 MOLA

ATOM 842 O VAL 136 49, .492 -8. ,908 23, .453 1.00 20, .05 MOLA

ATOM 843 N GLU 137 50. .145 -10, .998 23, .946 1.00 25, .58 MOLA

ATOM 844 CA GLU 137 51, .560 -10, .672 23, .826 1.00 27, .29 MOLA

ATOM 845 CB GLU 137 52, .417 -11. .816 24, .363 1.00 31, .09 MOLA

ATOM 846 CG GLU 137 52, .176 -12. .131 25, .843 1.00 41, .49 MOLA

ATOM 847 CD GLU 137 53, .016 -13. .309 26, .330 1.00 48, ,19 MOLA

ATOM 848 OΞl GLU 137 52, ,802 -13. ,776 27, .478 1.00 45, ,89 MOLA

ATOM 849 OΞ2 GLU 137 53, ,892 -13. .762 25, .548 1.00 53, .34 MOLA

ATOM 850 C GLU 137 51, ,951 -10. .341 22. .384 1.00 23, .54 MOLA

ATOM 851 O GLU 137 52, .827 -9, .527 22, .157 1.00 21, .67 MOLA

ATOM 852 N MΞT 138 51, .284 -10. .953 21, .411 1.00 22, .84 MOLA

ATOM 853 CA MET 138 51, .586 -10. .696 19, .999 1.00 21, .56 MOLA

ATOM 854 CB MET 138 50, .630 -11, .473 19, .088 1.00 19. .47 MOLA

ATOM 855 CG MET 138 50, .920 -11. .325 17. .591 1.00 18, .96 MOLA

ATOM 856 SD MΞT 138 49, .631 -12. .094 16, .564 1.00 20, .66 MOLA

ATOM 857 CΞ MΞT 138 49, .570 -13. .773 17, .152 1.00 17, .77 MOLA

ATOM 858 C MΞT 138 51, .515 -9. .219 19, .629 1.00 20, ,50 MOLA

ATOM 859 O MΞT 138 52, ,361 -8. .703 18, .914 1.00 23, ,17 MOLA

ATOM 860 N ILΞ 139 50, ,505 -8. .525 20, .115 1.00 20, .01 MOLA

ATOM 861 CA ILΞ 139 50, .358 -7. .132 19, .763 1.00 16, .90 MOLA

ATOM 862 CB ILΞ 139 49, .001 -6. .925 19, .149 1.00 15, .11 MOLA ATOM 863 CG2 ILΞ 139 48.883 -7.774 17.923 1.00 19.16 MOLA

ATOM 864 CGI ILΞ 139 47.926 -7.380 20.132 1.00 13.81 MOLA

ATOM 865 CDl ILΞ 139 46.529 -7.140 19.610 1.00 13.99 MOLA

ATOM 866 C ILΞ 139 50.522 -6.185 20.936 1.00 16.74 MOLA

ATOM 867 O ILΞ 139 50.343 -4.970 20.796 1.00 16.12 MOLA

ATOM 868 N GLY 140 50.893 -6.734 22.086 1.00 14.46 MOLA

ATOM 869 CA GLY 140 51.039 -5.914 23.265 1.00 10.25 MOLA

ATOM 870 C GLY 140 49.706 -5.275 23.561 1.00 13.31 MOLA

ATOM 871 O GLY 140 49.632 -4.064 23.780 1.00 15.94 MOLA

ATOM 872 N ALA 141 48.651 -6.089 23.562 1.00 13.10 MOLA

ATOM 873 CA ALA 141 47.286 -5.633 23.806 1.00 13.77 MOLA

ATOM 874 CB ALA 141 46.343 -6.816 23.636 1.00 12.83 MOLA

ATOM 875 C ALA 141 47.013 -4.940 25.159 1.00 16.42 MOLA

ATOM 876 O ALA 141 47.611 -5.292 26.179 1.00 18.02 MOLA

ATOM 877 N ASN 142 46.094 -3.971 25.169 1.00 18.16 MOLA

ATOM 878 CA ASN 142 45.721 -3.270 26.410 1.00 19.01 MOLA

ATOM 879 CB ASN 142 45.464 -1.784 26.166 1.00 20.86 MOLA

ATOM 880 CG ASN 142 46.539 -1.152 25.383 1.00 20.08 MOLA

ATOM 881 OD1 ASN 142 46.358 -0.838 24.217 1.00 27.23 MOLA

ATOM 882 ND2 ASN 142 47.677 -0.972 25.998 1.00 18.00 MOLA

ATOM 883 C ASN 142 44.455 -3.858 27.001 1.00 16.76 MOLA

ATOM 884 O ASN 142 44.059 -3.495 28.108 1.00 13.63 MOLA

ATOM 885 N ALA 143 43.827 -4.737 26.221 1.00 15.00 MOLA

ATOM 886 CA ALA 143 42.598 -5.441 26.609 1.00 16.19 MOLA

ATOM 887 CB ALA 143 41.362 -4.488 26.564 1.00 14.10 MOLA

ATOM 888 C ALA 143 42.447 -6.562 25.595 1.00 15.29 MOLA

ATOM 889 O ALA 143 43.099 -6.534 24.547 1.00 14.73 MOLA

ATOM 890 N LΞU 144 41.619 -7.555 25.934 1.00 14.47 MOLA

ATOM 891 CA LΞU 144 41.356 -8.731 25.078 1.00 13.44 MOLA

ATOM 892 CB LΞU 144 41.970 -10.014 25.684 1.00 9.91 MOLA

ATOM 893 CG LΞU 144 41.624 -11.388 25.065 1.00 9.46 MOLA

ATOM 894 CDl LΞU 144 41.842 -11.343 23.588 1.00 9.31 MOLA

ATOM 895 CD2 LEU 144 42.494 -12.478 25.649 1.00 11.54 MOLA

ATOM 896 C LEU 144 39.868 -8.976 24.860 1.00 15.28 MOLA

ATOM 897 O LEU 144 39.076 -9.016 25.804 1.00 15.50 MOLA

ATOM 898 N GLN 145 39.486 -9.169 23.609 1.00 16.44 MOLA

ATOM 899 CA GLN 145 38.095 -9.442 23.294 1.00 18.50 MOLA

ATOM 900 CB GLN 145 37.667 -8.699 22.044 1.00 17.23 MOLA

ATOM 901 CG GLN 145 37.258 -7.305 22.296 1.00 22.23 MOLA

ATOM 902 CD GLN 145 37.057 -6.549 21.013 1.00 26.70 MOLA

ATOM 903 OΞl GLN 145 36.619 -5.399 21.027 1.00 32.78 MOLA

ATOM 904 NΞ2 GLN 145 37.383 -7.178 19.893 1.00 25.61 MOLA

ATOM 905 C GLN 145 37.873 -10.912 23.051 1.00 19.66 MOLA

ATOM 906 O GLN 145 38.634 -11.555 22.340 1.00 21.62 MOLA

ATOM 907 N ILΞ 146 36.821 -11.440 23.649 1.00 21.14 MOLA

ATOM 908 CA ILΞ 146 36.451 -12.830 23.465 1.00 22.76 MOLA

ATOM 909 CB ILΞ 146 36.468 -13.607 24.792 1.00 18.83 MOLA

ATOM 910 CG2 ILΞ 146 35.878 -14.991 24.581 1.00 20.86 MOLA

ATOM 911 CGI ILΞ 146 37.903 -13.720 25.314 1.00 18.53 MOLA

ATOM 912 CDl ILΞ 146 38.801 -14.569 24.460 1.00 12.48 MOLA

ATOM 913 C ILΞ 146 35.026 -12.795 22.928 1.00 24.26 MOLA

ATOM 914 O ILΞ 146 34.112 -12.379 23.635 1.00 24.41 MOLA

ATOM 915 N HIS 147 34.837 -13.216 21.678 1.00 27.26 MOLA

ATOM 916 CA HIS 147 33.509 -13.222 21.080 1.00 32.41 MOLA

ATOM 917 CB HIS 147 33.565 -12.831 19.598 1.00 36.88 MOLA ATOM 918 CG HIS 147 34,.485 -13,.677 18,.773 1.00 47,.59 MOLA

ATOM 919 CD2 HIS 147 34, .289 -14, .871 18, .160 1.00 51, .44 MOLA

ATOM 920 NDl HIS 147 35, .777 -13, .298 18, .464 1.00 52, .23 MOLA

ATOM 921 CΞl HIS 147 36, .334 -14, .217 17, .692 1.00 52, .51 MOLA

ATOM 922 NΞ2 HIS 147 35, .452 -15, .181 17, .492 1.00 54, .10 MOLA

ATOM 923 C HIS 147 32, .754 -14. .540 21, .247 1.00 34, .56 MOLA

ATOM 924 O HIS 147 33. .320 -15. .624 21, .125 1.00 33, .96 MOLA

ATOM 925 N LΞU 148 31. .466 -14. .417 21, .557 1.00 36, .13 MOLA

ATOM 926 CA LEU 148 30, .561 -15. .537 21, .758 1.00 37, .47 MOLA

ATOM 927 CB LEU 148 29, .734 -15. .312 23, .016 1.00 31, .50 MOLA

ATOM 928 CG LEU 148 30, .393 -15. .634 24, .339 1.00 31, .62 MOLA

ATOM 929 CDl LEU 148 29, .555 -15. .105 25, .476 1.00 32, .87 MOLA

ATOM 930 CD2 LEU 148 30, .565 -17. .145 24, .441 1.00 34, .82 MOLA

ATOM 931 C LEU 148 29, .593 -15. .628 20, .603 1.00 44, .59 MOLA

ATOM 932 O LEU 148 29, .404 -14, .658 19, .861 1.00 46, .68 MOLA

ATOM 933 N ASN 149 28, .967 -16, .797 20, .485 1.00 52, .22 MOLA

ATOM 934 CA ASN 149 27, .942 -17, .081 19, .482 1.00 57, .17 MOLA

ATOM 935 CB ASN 149 28, .340 -16, .598 18, .082 1.00 61, .50 MOLA

ATOM 936 CG ASN 149 27, .125 -16, .364 17, .189 1.00 66. .05 MOLA

ATOM 937 OD1 ASN 149 26, .351 -17, .287 16, .911 1.00 69. .17 MOLA

ATOM 938 ND2 ASN 149 26, .944 -15, .119 .16, .748 1.00 68. .24 MOLA

ATOM 939 C ASN 149 27, .724 -18, .576 19, .451 1.00 59. .95 MOLA

ATOM 940 O ASN 149 27, .870 -19, .201 18, .400 1.00 63, .57 MOLA

ATOM 941 N VAL 150 27, .375 -19, .156 20, .597 1.00 62, .15 MOLA

ATOM 942 CA VAL 150 27, .148 -20, .593 20, .667 1.00 64, .07 MOLA

ATOM 943 CB VAL 150 26. .735 -21, .035 22, .108 1.00 62, .71 MOLA

ATOM 944 CGI VAL 150 26, .863 -22, .565 22, .238 1.00 63, .83 MOLA

ATOM 945 CG2 VAL 150 27, .613 -20, .339 23, .144 1.00 60, .76 MOLA

ATOM 946 C VAL 150 26, .061 -21, .017 19, .666 1.00 65. .13 MOLA

ATOM 947 O VAL 150 25, .952 -22, .202 19, .309 1.00 66, .51 MOLA

ATOM 948 N ILΞ 151 25, .285 -20, .030 19, .210 1.00 63. .16 MOLA

ATOM 949 CA ILΞ 151 24, .198 -20, .231 18, .249 1.00 65. .39 MOLA

ATOM 950 CB ILΞ 151 23. .399 -18, .926 18, .021 1.00 65. .24 MOLA

ATOM 951 CG2 ILE 151 21. .946 -19, .100 18, .496 1.00 65. .53 MOLA

ATOM 952 CGI ILΞ 151 24, .097 -17, .756 18, .733 1.00 65. .50 MOLA

ATOM 953 CDl ILΞ 151 24, .078 -17, .800 20, .260 1.00 65. .37 MOLA

ATOM 954 C ILΞ 151 24. .728 -20, .713 16, .895 1.00 67. .85 MOLA

ATOM 955 O ILΞ 151 24. .210 -21, .669 16, .310 1.00 71. .16 MOLA

ATOM 956 N GLN 152 25. .756 -20, .048 16, .386 1.00 69. .03 MOLA

ATOM 957 CA GLN 152 26. .325 -20, .450 15, .109 1.00 70, .06 MOLA

ATOM 958 CB GLN 152 27, .277 -19, .372 14, .581 1.00 71. .46 MOLA

ATOM 959 CG GLN 152 26, .600 -18, .090 14, .113 1.00 74, .96 MOLA

ATOM 960 CD GLN 152 27, .613 -17, .072 13, .623 1.00 78. .48 MOLA

ATOM 961 OΞl GLN 152 28, .504 -16. .662 14, .379 1.00 80. .22 MOLA

ATOM 962 NΞ2 GLN 152 27, .496 -16, .668 12, .354 1.00 79. .23 MOLA

ATOM 963 C GLN 152 27, .070 -21, .780 15, .240 1.00 68. .92 MOLA

ATOM 964 O GLN 152 27, .123 -22, .562 14, .290 1.00 70. .63 MOLA

ATOM 965 N GLU 153 27, .628 -22, .047 16, .415 1.00 67. .74 MOLA

ATOM 966 CA GLU 153 28, .370 -23, .287 16, .651 1.00 68. .86 MOLA

ATOM 967 CB GLU 153 29, .257 -23, .098 17. .890 1.00 70. .24 MOLA

ATOM 968 CG GLU 153 30. .038 -21, .793 17, .826 1.00 72. .42 MOLA

ATOM 969 CD GLU 153 30 .175 -21, .110 19, .184 1.00 73, .66 MOLA

ATOM 970 OΞl GLU 153 30, .576 -19, .915 19, .225 1.00 68. .03 MOLA

ATOM 971 OΞ2 GLU 153 29, .878 -21, .775 20, .206 1.00 77, .48 MOLA

ATOM 972 C GLU 153 27, .422 -24, .483 16, .836 1.00 69, .47 MOLA ATOM 973 O GLU 153 27.,803 -25.,531 17.,387 1.00 68..92 MOLA

ATOM 974 N ILΞ 154 26. ,192 -24. ,322 16. ,349 1.00 68. .17 MOLA

ATOM 975 CA ILΞ 154 25. ,171 -25. ,363 16. ,449 1.00 67. .54 MOLA

ATOM 976 CB ILΞ 154 24. ,423 -25. ,275 17. .811 1.00 68. ,13 MOLA

ATOM 977 CG2 ILΞ 154 23. ,670 -23. ,953 17. .913 1.00 67. ,56 MOLA

ATOM 978 CGI ILΞ 154 23. ,416 -26. ,420 17. .942 1.00 68. ,37 MOLA

ATOM 979 CDl ILΞ 154 22. ,568 -26. ,357 19. .226 1.00 67. ,61 MOLA

ATOM 980 C ILΞ 154 24. .160 -25. .256 15. .300 1.00 66. ,26 MOLA

ATOM 981 O ILΞ 154 24. .134 -24. .265 14. .560 1.00 62. ,78 MOLA

ATOM 982 N PHΞ 163 29. .694 -24. .680 23. .126 1.00 56. ,49 MOLA

ATOM 983 CA PHΞ 163 29. .034 -25. .723 23. ,909 1.00 57. .59 MOLA

ATOM 984 CB PHΞ 163 29. .412 -27. .117 23. .380 0.00 53. .92 MOLA

ATOM 985 CG PHE 163 28. .855 -27. .425 22. .021 0.00 51. .23 MOLA

ATOM 986 CDl PHΞ 163 29. .376 -26. .822 20. .881 0.00 49. .85 MOLA

ATOM 987 CD2 PHΞ 163 27. .797 -28. .318 21. .882 0.00 49. .85 MOLA

ATOM 988 CΞl PHΞ 163 28. .852 -27. .106 19. .620 0.00 48. .90 MOLA

ATOM 989 CΞ2 PHΞ 163 27. .265 -28. .608 20. .627 0.00 48. .90 MOLA

ATOM 990 CZ PHΞ 163 27. .794 -28. .001 19. .494 0.00 48. .62 MOLA

ATOM 991 C PHΞ 163 29. .385 -25. .634 25. .401 1.00 57, .69 MOLA

ATOM 992 O PHΞ 163 29. ,654 -24. .542 25, .917 1.00 57, .28 MOLA

ATOM 993 N SΞR 164 29, .384 -26. .783 26. .079 1.00 55, .13 MOLA

ATOM 994 CA SΞR 164 29, .701 -26. .837 27. .502 1.00 53, .35 MOLA

ATOM 995 CB SΞR 164 29. .623 -28. .289 27, .987 1.00 54, .13 MOLA

ATOM 996 OG SΞR 164 28, .437 -28. .912 27, .535 1.00 55. .44 MOLA

ATOM 997 C SΞR 164 31, .125 -26. .304 27, .764 1.00 52, .42 MOLA

ATOM 998 O SΞR 164 31., .985 -26. .362 26, .875 1.00 51. .51 MOLA

ATOM 999 N GLY 165 31, .369 -25. .793 28, .973 1.00 50, .32 MOLA

ATOM 1000 CA GLY 165 32, .691 -25. .281 29, .312 1.00 46. .84 MOLA

ATOM 1001 C GLY 165 32, .948 -23. .824 28, .949 1.00 44, .37 MOLA

ATOM 1002 O GLY 165 33, .683 -23. .118 29, .643 1.00 44. .22 MOLA

ATOM 1003 N ALA 166 32, .338 -23, .374 27. .857 1.00 39, .90 MOLA

ATOM 1004 CA ALA 166 32, .471 -22, .006 27, .384 1.00 34, .45 MOLA

ATOM 1005 CB ALA 166 31, .229 -21, .617 26. .612 1.00 31, .03 MOLA

ATOM 1006 C ALA 166 32, .719 -21, .000 28. .510 1.00 34, .63 MOLA

ATOM 1007 O ALA 166 33, .747 -20, .320 28. .521 1.00 34, .91 MOLA

ATOM 1008 N LΞU 167 31, .786 -20. .904 29. .458 1.00 32, .71 MOLA

ATOM 1009 CA LΞU 167 31, .933 -19, .966 30, .570 1.00 29, .52 MOLA

ATOM 1010 CB LΞU 167 30, .722 -19. .995 31, .506 1.00 23, .19 MOLA

ATOM 1011 CG LΞU 167 30, .726 -19, .002 32, .686 1.00 18, .71 MOLA

ATOM 1012 CDl LΞU 167 30, .862 -17, .555 32, .171 1.00 17, .86 MOLA

ATOM 1013 CD2 LΞU 167 29, .449 -19, .148 33, .503 1.00 8, .00 MOLA

ATOM 1014 C LΞU 167 33, .183 -20, .235 31, .376 1.00 30, .78 MOLA

ATOM 1015 O LΞU 167 33, .917 -19, .310 31, .705 1.00 32, .97 MOLA

ATOM 1016 N LYS 168 33, .436 -21, .499 31, .692 1.00 32, .44 MOLA

ATOM 1017 CA LYS 168 34, .615 -21, .848 32, .477 1.00 33, .71 MOLA

ATOM 1018 CB LYS 168 34, .595 -23, .322 32, .850 1.00 38, .44 MOLA

ATOM 1019 CG LYS 168 35 .015 -23 .598 34, .279 1.00 45, .62 MOLA

ATOM 1020 CD LYS 168 36 .442 -23, .150 34 .566 1.00 48, .41 MOLA

ATOM 1021 CΞ LYS 168 36, .812 -23, .489 35, .995 1.00 52, .49 MOLA

ATOM 1022 NZ LYS 168 36, .754 -24, .958 36, .239 1.00 52, .50 MOLA

ATOM 1023 C LYS 168 35, .908 -21, .536 31, .733 1.00 30, .28 MOLA

ATOM 1024 O LYS 168 36 .937 -21, .250 32 .340 1.00 30, .88 MOLA

ATOM 1025 N ARG 169 35, .846 -21, .590 30, .414 1.00 25, .66 MOLA

ATOM 1026 CA ARG 169 36 .998 -21, .328 29, .580 1.00 23, .78 MOLA

ATOM 1027 CB ARG 169 36, .704 -21, .825 28 .178 1.00 23, .42 MOLA ATOM 1028 CG ARG 169 37.900 -22.115 27.316 1.00 31.56 MOLA

ATOM 1029 CD ARG 169 37.398 -22.681 26.007 1.00 37.22 MOLA

ATOM 1030 NΞ ARG 169 36.350 -23.676 26.241 1.00 41.41 MOLA

ATOM 1031 CZ ARG 169 35.172 -23.686 25.624 1.00 42.14 MOLA

ATOM 1032 NHl ARG 169 34.289 -24.637 25.904 1.00 42.72 MOLA

ATOM 1033 NH2 ARG 169 34.876 -22.744 24.737 1.00 39.61 MOLA

ATOM 1034 C ARG 169 37.232 -19.828 29.583 1.00 25.83 MOLA

ATOM 1035 O ARG 169 38.369 -19.355 29.563 1.00 26.51 MOLA

ATOM 1036 N ILΞ 170 36.141 -19.073 29.615 1.00 25.04 MOLA

ATOM 1037 CA ILΞ 170 36.230 -17.625 29.633 1.00 22.89 MOLA

ATOM 1038 CB ILΞ 170 34.831 -16.989 29.422 1.00 19.70 MOLA

ATOM 1039 CG2 ILΞ 170 34.817 -15.527 29.807 1.00 18.77 MOLA

ATOM 1040 CGI ILΞ 170 34.455 -17.089 27.944 1.00 15.41 MOLA

ATOM 1041 CDl ILΞ 170 33.146 -16.480 27.617 1.00 15.89 MOLA

ATOM 1042 C ILΞ 170 36.837 -17.236 30.968 1.00 25.21 MOLA

ATOM 1043 O ILΞ 170 37.760 -16.416 31.026 1.00 27.07 MOLA

ATOM 1044 N GLU 171 36.347 -17.848 32.040 1.00 26.28 MOLA

ATOM 1045 CA GLU 171 36.874 -17.565 33.365 1.00 28.23 MOLA

ATOM 1046 CB GLU 171 36.228 -18.495 34.380 1.00 25.35 MOLA

ATOM 1047 CG GLU 171 36.696 -18.275 35.801 1.00 25.00 MOLA

ATOM 1048 CD GLU 171 36.026 -19.223 36.772 1.00 27.19 MOLA

ATOM 1049 OΞl GLU 171 36.269 -20.453 36.673 1.00 26,79 MOLA

ATOM 1050 OΞ2 GLU 171 35.238 -18.737 37.613 1.00 24.98 MOLA

ATOM 1051 C GLU 171 38.409 -17.715 33.406 1.00 28.86 MOLA

ATOM 1052 O GLU 171 39.124 -16.792 33.811 1.00 28.81 MOLA

ATOM 1053 N GLN 172 38.920 -18.866 32.979 1.00 27.75 MOLA

ATOM 1054 CA GLN 172 40.362 -19.095 32.981 1.00 29.90 MOLA

ATOM 1055 CB GLN 172 40.668 -20.464 32.382 1.00 29.65 MOLA

ATOM 1056 CG GLN 172 39.859 -21.572 32.993 1.00 37.00 MOLA

ATOM 1057 CD GLN 172 40.340 -22.918 32.529 1.00 41.91 MOLA

ATOM 1058 OΞl GLN 172 39.706 -23.942 32.785 1.00 47.87 MOLA

ATOM 1059 NΞ2 GLN 172 41.481 -22.927 31.838 1.00 44.48 MOLA

ATOM 1060 C GLN 172 41.104 -18.015 32.195 1.00 29.87 MOLA

ATOM 1061 O GLN 172 42.126 -17.472 •^*} έ£ι • 1.00 30.16 MOLA

ATOM 1062 N ILΞ 173 40.581 -17.703 31.012 1.00 26.32 MOLA

ATOM 1063 CA ILΞ 173 41.169 -16.688 30.151 1.00 21.28 MOLA

ATOM 1064 CB ILΞ 173 40.310 -16.449 28.896 1.00 18.00 MOLA

ATOM 1065 CG2 ILΞ 173 40.774 -15.201 28.149 1.00 18.67 MOLA

ATOM 1066 CGI ILΞ 173 40.427 -17.636 27.957 1.00 15.99 MOLA

ATOM 1067 CDl ILΞ 173 39.483 -17.565 26.809 1.00 13.33 MOLA

ATOM 1068 C ILΞ 173 41.314 -15.384 30.918 1.00 22.33 MOLA

ATOM 1069 O ILΞ 173 42.360 -14.735 30.852 1.00 20.42 MOLA

ATOM 1070 N CYS 174 40.274 -14.990 31.645 1.00 21.83 MOLA

ATOM 1071 CA CYS 174 40.329 -13.747 32.413 1.00 24.76 MOLA

ATOM 1072 CB CYS 174 38.969 -13.438 33.057 1.00 24.75 MOLA

ATOM 1073 SG CYS 174 37.721 -12.770 31.987 1.00 26.49 MOLA

ATOM 1074 C CYS 174 41.383 -13.831 33.507 1.00 26.06 MOLA

ATOM 1075 O CYS " 174 42.076 -12.850 33.807 1.00 30.16 MOLA

ATOM 1076 N SΞR 175 41.504 -15.010 34.109 1.00 26.71 MOLA

ATOM 1077 CA SΞR 175 42.471 -15.229 35.173 1.00 26.23 MOLA

ATOM 1078 CB SΞR 175 42.161 -16.522 35.900 1.00 25.66 MOLA

ATOM 1079 OG SΞR 175 40.890 -16.453 36.508 1.00 31.20 MOLA

ATOM 1080 C SΞR 175 43.883 -15.263 34.620 1.00 27.33 MOLA

ATOM 1081 O SΞR 175 44.784 -14.644 35.187 1.00 28.49 MOLA

ATOM 1082 N ARG 176 44.063 -15.963 33.499 1.00 26.69 MOLA ATOM 1083 CA ARG 176 45.369 -16.080 32.851 1.00 26.40 MOLA

ATOM 1084 CB ARG 176 45.313 -17.087 31.706 1.00 32.12 MOLA

ATOM 1085 CG ARG 176 46.672 -17.433 31.102 1.00 37.14 MOLA

ATOM 1086 CD ARG 176 47.500 -18.273 32.060 1.00 41.42 MOLA

ATOM 1087 NΞ ARG 176 46.792 -19.489 32.469 1.00 44.89 MOLA

ATOM 1088 CZ ARG 176 46.816 -20.651 31.816 1.00 44.96 MOLA

ATOM 1089 NHl ARG 176 46.122 -21.683 32.296 1.00 45.65 MOLA

ATOM 1090 NH2 ARG 176 47.538 -20.797 30.710 1.00 39.78 MOLA

ATOM 1091 C ARG 176 45.896 -14.758 32.316 1.00 25.35 MOLA

ATOM 1092 O ARG 176 47.084 -14.486 32.433 1.00 29.20 MOLA

ATOM 1093 N VAL 177 45.040 -13.934 31.720 1.00 23.51 MOLA

ATOM 1094 CA VAL 177 45.529 -12.670 31.204 1.00 21.74 MOLA

ATOM 1095 CB VAL 177 44.852 -12.294 29.830 1.00 18.19 MOLA

ATOM 1096 CGI VAL 177 44.882 -13.491 28.903 1.00 15.43 MOLA

ATOM 1097 CG2 VAL 177 43.449 -11.802 30.014 1.00 17.89 MOLA

ATOM 1098 C VAL 177 45.374 -11.558 32.259 1.00 22.63 MOLA

ATOM 1099 O VAL 177 44.429 -11.556 33.048 1.00 20.94 MOLA

ATOM 1100 N SΞR 178 46.343 -10.644 32.286 1.00 23.39 MOLA

ATOM 1101 CA SΞR 178 46.363 -9.542 33.233 1.00 24.86 MOLA

ATOM 1102 CB SΞR 178 47.791 -8.999 33.425 1.00 28.08 MOLA

ATOM 1103 OG SΞR 178 48.772 -10.018 33.413 1.00 37.52 MOLA

ATOM 1104 C SΞR 178 45.480 -8.414 32.734 1.00 24.36 MOLA

ATOM 1105 O SΞR 178 44.785 -7.777 33.514 1.00 29.87 MOLA

ATOM 1106 N VAL 179 45.505 -8.153 31.436 1.00 21.69 MOLA

ATOM 1107 CA VAL 179 44.706 -7.074 30.869 1.00 20.24 MOLA

ATOM 1108 CB VAL 179 45.077 -6.846 29.389 1.00 21.15 MOLA

ATOM 1109 CGI VAL 179 46.536 -6.478 29.258 1.00 17.23 MOLA

ATOM 1110 CG2 VAL 179 44.781 -8.112 28.583 1.00 22.20 MOLA

ATOM 1111 C VAL 179 43.195 -7.369 30.942 1.00 18.83 MOLA

ATOM 1112 O VAL 179 42.786 -8.521 31.027 1.00 19.12 MOLA

ATOM 1113 N PRO 180 42.346 -6.319 30.920 1.00 17.96 MOLA

ATOM ' ' 1114 CD PRO 180 42.635 -4.876 30.868 1.00 18.96 MOLA

ATOM 1115 CA PRO 180 40.901 -6.534 30.972 1.00 15.02 MOLA

ATOM 1116 CB PRO 180 40.333 -5.118 30.967 1.00 12.91 MOLA

ATOM 1117 CG PRO 180 41.368 -4.322 30.248 1.00 14.85 MOLA

ATOM 1118 C PRO 180 40.431 -7.330 29.767 1.00 16.08 MOLA

ATOM 1119 O PRO 180 40.949 -7.174 28.665 1.00 14.81 MOLA

ATOM 1120 N VAL 181 39.441 -8.186 30.012 1.00 17.78 MOLA

ATOM 1121 CA VAL 181 38.822 -9.039 29.012 1.00 15.41 MOLA

ATOM 1122 CB VAL 181 38.765 -10.500 29.489 1.00 17.48 MOLA

ATOM 1123 CGI VAL 181 37.824 -11.324 28.598 1.00 17.25 MOLA

ATOM 1124 CG2 VAL 181 40.162 -11.120 29.460 1.00 21.89 MOLA

ATOM 1125 C VAL 181 37.399 -8.541 28.769 1.00 18.24 MOLA

ATOM 1126 O VAL 181 36.602 -8.391 29.696 1.00 17.65 MOLA

ATOM 1127 N ILΞ 182 37.100 -8.287 27.506 1.00 14.56 MOLA

ATOM 1128 CA ILE 182 35.800 -7.810 27.110 1.00 13.03 MOLA

ATOM 1129 CB ILΞ 182 35.947 -6.674 26.111 1.00 9.24 MOLA

ATOM 1130 CG2 ILΞ 182 34.586 -6.099 25.797 1.00 9.46 MOLA

ATOM 1131 CGI ILΞ 182 36.909 -5.630 26.648 1.00 4.40 MOLA

ATOM 1132 CDl ILΞ 182 37.240 -4.595 25.637 1.00 1.68 MOLA

ATOM 1133 C ILΞ 182 35.141 -8.946 26.368 1.00 15.19 MOLA

ATOM • 1134 O ILΞ 182 35.621^' -9.304 25.306 1.00 19.88 MOLA

ATOM 1135 N VAL 183 34.069 -9.528 26.901 1.00 17.60 MOLA

ATOM 1136 CA VAL 183 33.361 -10.627 26.213 1.00 14.63 MOLA

ATOM 1137 CB VAL 183 32.656 -11.554 27.217 1.00 12.75 MOLA ATOM 1138 CGI VAL 183 31..929 -12..693 26..490 1.00 7,.93 MOLA

ATOM 1139 CG2 VAL 183 33. .686 -12. .111 28. .181 1.00 12. .02 MOLA

ATOM 1140 C VAL 183 32. .334 -10. .012 25. .280 1.00 15, .87 MOLA

ATOM 1141 O VAL 183 31. .405 -9. .340 25, .717 1.00 16, .53 MOLA

ATOM 1142 N LYS 184 32. .506 -10. .248 23, .988 1.00 16, .61 MOLA

ATOM 1143 CA LYS 184 31. .638 -9. .676 22, .967 1.00 21, .90 MOLA

ATOM 1144 CB LYS 184 32. .521 -9. .204 21. .814 1.00 23, .57 MOLA

ATOM 1145 CG LYS 184 31. .822 -8. .663 20. .606 1.00 26, .82 MOLA

ATOM 1146 CD LYS 184 32. .863 -8. .364 19. .520 1.00 32, .46 MOLA

ATOM 1147 CΞ LYS 184 32. .319 -7. .360 18, .479 1.00 37, .62 MOLA

ATOM 1148 NZ LYS 184 33. .262 -7. .161 17. .348 1.00 36, .05 MOLA

ATOM 1149 C LYS 184 30. .571 -10. .624 22. .444 1.00 26, .73 MOLA

ATOM 1150 O LYS 184 30, .891 -11. .685 21, .921 1.00 26, .69 MOLA

ATOM 1151 N GLU 185 29, .300 -10. .247 22, .578 1.00 32, .39 MOLA

ATOM 1152 CA GLU 185 28. .206 -11. .079 22, .071 1.00 36, .81 MOLA

ATOM 1153 CB GLU 185 26, .921 -10. .879 22, .887 1.00 39, .44 MOLA

ATOM 1154 CG GLU 185 26, .217 -12. .175 23, .396 1.00 42. .62 MOLA

ATOM 1155 CD GLU 185 25, .777 -13. .132 22. .302 1.00 42, .97 MOLA

ATOM 1156 OΞl GLU 185 25, .390 -12. .677 21, .205 1.00 47, .06 MOLA

ATOM 1157 OΞ2 GLU 185 25, .821 -14. .352 22, .539 1.00 46, .57 MOLA

ATOM 1158 C GLU 185 27, .977 -10. .607 20, .644 1.00 40, .23 MOLA

ATOM 1159 O GLU 185 28, .070 -9. .409 20, .359 1.00 40, .19 MOLA

ATOM 1160 N VAL 186 27. .671 -11. ,528 19, .740 1.00 44, .70 MOLA

ATOM 1161 CA VAL 186 27, .467 -11. ,110 18, .359 1.00 46, .91 MOLA

ATOM 1162 CB VAL 186 28, .458 -11. .846 17, .435 1.00 48, .07 MOLA

ATOM 1163 CGI VAL 186 28, .546 -11. .103 16, .109 1.00 49. .40 MOLA

ATOM 1164 CG2 VAL 186 29, .837 -11. .963 18, .108 1.00 44. .48 MOLA

ATOM 1165 C VAL 186 26. .042 -11. .244 17, .784 1.00 46, .28 MOLA

ATOM 1166 O VAL 186 25, .543 -12. .356 17, .574 1.00 45, .10 MOLA

ATOM 1167 N GLY 187 25, .395 -10. .093 17, .570 1.00 44. .20 MOLA

ATOM 1168 CA GLY 187 24, .057 -10. .055 16, .982 1.00 41, .37 MOLA

ATOM 1169 C GLY 187 22, .792 -10. .445 17, .744 1.00 39, .60 MOLA

ATOM 1170 O GLY 187 21, .728 -9. .887 17, .474 1.00 41, .42 MOLA

ATOM 1171 N PHE 188 22, .867 -11. • J O O lo < .679 1.00 36. • 65 MOLA

ATOM 1172 CA PHΞ 188 21, .665 -11. .798 19, .401 1.00 29, .36 MOLA

ATOM 1173 CB PHΞ 188 21, .663 -13, .312 19, .584 1.00 30, .50 MOLA

ATOM 1174 CG PHΞ 188 21, .400 -14, .055 18. .320 1.00 32. .96 MOLA

ATOM 1175 CDl PHΞ 188 22, .213 -15, .125 17, .940 1.00 32, .30 MOLA

ATOM 1176 CD2 PHΞ 188 20, .355 -13, .658 17, .478 1.00 33, .36 MOLA

ATOM 1177 CΞl PHΞ 188 21, .997 -15, .785 16, .748 1.00 32, .03 MOLA

ATOM 1178 CΞ2 PHΞ 188 20, .124 -14, .311 16, .271 1.00 34, .37 MOLA

ATOM 1179 CZ PHΞ 188 20, .953 -15, .380 15, .906 1.00 36, .74 MOLA

ATOM 1180 C PHΞ 188 21, .412 -11, .125 20, .728 1.00 26, .54 MOLA

ATOM 1181 O PHΞ 188 20 .475 -11, .480 21, .425 1.00 24, .72 MOLA

ATOM 1182 N GLY 189 22 .244 -10, .154 21, .083 1.00 26, .19 MOLA

ATOM 1183 CA GLY 189 22 .050 -9, .443 22, .336 1.00 21, .59 MOLA

ATOM 1184 C GLY 189 22 .533 -10, .183 23, .566 1.00 19, .84 MOLA

ATOM 1185 O GLY 189 23 .103 -11, .265 23, .457 1.00 21, .65 MOLA

ATOM 1186 N MΞT 190 22 .288 -9, .618 24, .742 1.00 17, .84 MOLA

ATOM 1187 CA MΞT 190 22 .741 -10, .228 25, .981 1.00 20, .54 MOLA

ATOM 1188 CB MΞT 190 24 .196 -9, .801 26, .249 1.00 19, .37 MOLA

ATOM 1189 CG MΞT 190 24 .859 -10, .535 27, .408 1.00 21, .46 MOLA

ATOM 1190 SD MΞT 190 26 .473 -9, .895 27, .888 1.00 22, .36 MOLA

ATOM 1191 CΞ MΞT 190 27 .440 -10, .347 26, .447 1.00 15, .74 MOLA

ATOM 1192 C MΞT 190 21 .829 -9, .797 27, .141 1.00 23, .27 MOLA ATOM 1193 O MΞT 190 21.534 -8.607 27.294 1.00 24.77 MOLA

ATOM 1194 N SΞR 191 21.384 -10.769 27.943 1.00 23.25 MOLA

ATOM 1195 CA SΞR 191 20.498 -10.516 29.079 1.00 20.39 MOLA

ATOM 1196 CB SΞR 191 19.612 -11.724 29.354 1.00 20.15 MOLA

ATOM 1197 OG SΞR 191 20.343 -12.781 29.953 1.00 20.61 MOLA

ATOM 1198 C SΞR 191 21.266 -10.186 30.341 1.00 22.46 MOLA

ATOM 1199 O SΞR 191 22.469 -10.450 30.437 1.00 23.91 MOLA

ATOM 1200 N LYS 192 20.573 -9.631 31.328 1.00 21.13 MOLA

ATOM 1201 CA LYS 192 21.252 -9.296 32.562 1.00 20.11 MOLA

ATOM 1202 CB LYS 192 20.311 -8.572 33.536 1.00 21.88 MOLA

ATOM 1203 CG LYS 192 18.926 -9.125 33.679 1.00 21.92 MOLA

ATOM 1204 CD LYS 192 18.009 -8.018 34.175 1.00 29.77 MOLA

ATOM 1205 CΞ LYS 192 16.657 -8.562 34.548 1.00 33.36 MOLA

ATOM 1206 NZ LYS 192 16.860 -9.642 35.553 1.00 37.27 MOLA

ATOM 1207 C LYS 192 21.858 -10.534 33.206 1.00 19.41 MOLA

ATOM 1208 O LYS 192 22.892 -10.456 33.852 1.00 20.13 MOLA

ATOM 1209 N ALA 193 21.223 -11.681 33.004 1.00 18.52 MOLA

ATOM 1210 CA ALA 193 21.704 -12.923 33.576 1.00 15.71 MOLA

ATOM 1211 CB ALA 193 20.682 -14.013 33.357 1.00 17.12 MOLA

ATOM 1212 C ALA 193 23.045 -13.344 32.990 1.00 18.78 MOLA

ATOM 1213 O ALA 193 23.959 -13.684 33.737 1.00 21.61 MOLA

ATOM 1214 N SΞR 194 23.155 -13.35.0 31.660 1.00 17.60 MOLA

ATOM 1215 CA SΞR 194 24.381 -13.735 30.978 1.00 18.37 MOLA

ATOM 1216 CB SΞR 194 24.189 -13.725 29.451 1.00 21.86 MOLA

ATOM 1217 OG SΞR 194 23.231 -14.671 29.001 1.00 28.47 MOLA

ATOM 1218 C SΞR 194 25.486 -12.751 31.345 1.00 19.55 MOLA

ATOM 1219 O SΞR 194 26.600 -13.164 31.663 1.00 20.40 MOLA

ATOM 1220 N ALA 195 25.180 -11.453 31.308 1.00 17.34 MOLA

ATOM 1221 CA ALA 195 26.177 -10.440 31.643 1.00 15.91 MOLA

ATOM 1222 CB ALA 195 25.561 -9.046 31.592 1.00 13.15 MOLA

ATOM 1223 C ALA 195 26.740 -10.702 33.045 1.00 16.71 MOLA

ATOM 1224 O ALA 195 27.957 -10.646 33.269 1.00 18.99 MOLA

ATOM 1225 N GLY 196 25.838 -11.006 33.974 1.00 15.25 MOLA

ATOM 1226 CA GLY 196 26.200 -1 .256 35.343 1.00 11.07 MOLA

ATOM 1227 C GLY 196 27.106 -12.451 35.467 1.00 11.16 MOLA

ATOM 1228 0 GLY 196 28.007 -12.492 36.309 1.00 10.54 MOLA

ATOM 1229 N LYS 197 26.874 -13.454 34.645 1.00 11.15 MOLA

ATOM 1230 CA LYS 197 27.700 -14.628 34.700 1.00 16.14 MOLA

ATOM 1231 CB LYS 197 27.110 -15.752 33.845 1.00 18.69 MOLA

ATOM 1232 CG LYS 197 25.919 -16.436 34.458 1.00 21.57 MOLA

ATOM 1233 CD LYS 197 25.570 -17.620 33.625 1.00 27.90 MOLA

ATOM 1234 CΞ LYS 197 24.419 -18.360 34.205 1.00 29.42 MOLA

ATOM 1235 NZ LYS 197 24.028 -19.406 33.238 1.00 37.53 MOLA

ATOM 1236 C LYS 197 29.097 -14.278 34.212 1.00 16.45 MOLA

ATOM 1237 O LYS 197 30.086 -14.680 34.826 1.00 18.81 MOLA

ATOM 1238 N LΞU 198 29.190 -13.512 33.126 1.00 18.41 MOLA

ATOM 1239 CA LΞU 198 30.486 -13.131 32.568 1.00 19.86 MOLA

ATOM 1240 CB LΞU 198 30.295 -12.446 31.211 1.00 16.08 MOLA

ATOM 1241 CG LΞU 198 29.771 -13.440 30.155 1.00 18.02 MOLA

ATOM 1242 CDl LΞU 198 29.287 -12.668 28.941 1.00 19.14 MOLA

ATOM 1243 CD2 LΞU 198 30.845 -14.459 29.752 1.00 10.28 MOLA

ATOM 1244 C LΞU 198 31.264 -12.255 33.541 1.00 19.95 MOLA

ATOM 1245 O LΞU 198 32.491 -12.381 33.686 1.00 17.50 MOLA

ATOM 1246 N TYR 199 30.540 -11.390 34.237 1.00 21.28 MOLA

ATOM 1247 CA TYR 199 31.151 -10.528 35.228 1.00 23.41 MOLA ATOM 1248 CB TYR 199 30.131 -9.533 35.757 1.00 19.89 MOLA

ATOM 1249 CG TYR 199 29.894 -8.368 34.829 1.00 15.59 MOLA

ATOM 1250 CDl TYR 199 28.638 -7.777 34.747 1.00 18.64 MOLA

ATOM 1251 CΞl TYR 199 28.392 -6.718 33.874 1.00 20.31 MOLA

ATOM 1252 CD2 TYR 199 30.911 -7.869 34.019 1.00 13.71 MOLA

ATOM 1253 CΞ2 TYR 199 30.681 -6.803 33.135 1.00 17.25 MOLA

ATOM 1254 CZ TYR 199 29.408 -6.233 33.067 1.00 18.24 , MOLA

ATOM 1255 OH TYR 199 29.117 -5.217 32.177 1.00 15.84 MOLA

ATOM 1256 C TYR 199 31.725 -11.364 36.376 1.00 25.25 MOLA

ATOM 1257 O TYR 199 32.852 -11.121 36.808 1.00 27.28 MOLA

ATOM 1258 N GLU 200 30.973 -12.352 36.865 1.00 27.39 MOLA

ATOM 1259 CA GLU 200 31.471 -13.207 37.940 1.00 29.05 MOLA

ATOM 1260 CB GLU 200 30.403 -14.173 38.425 1.00 35.53 MOLA

ATOM 1261 CG GLU 200 29.632 -13.648 39.603 1.00 50.97 MOLA

ATOM 1262 CD GLU 200 29.450 -14.691 40.714 1.00 60.02 MOLA

ATOM 1263 OΞl GLU 200 28.899 -15.786 40.429 1.00 63.52 MOLA

ATOM 1264 OΞ2 GLU 200 29.863 -14.403 41.870 1.00 62.23 MOLA

ATOM 1265 C GLU 200 32.668 -14.005 37.485 1.00 25.91 MOLA

ATOM 1266 O GLU 200 33.521 -14.364 38.286 1.00 26.75 MOLA

ATOM 1267 N ALA 201 32.718 -14.285 36.192 1.00 23.09 MOLA

ATOM 1268 CA ALA 201 33.812 -15.038 35.620 1.00 20.26 MOLA

ATOM 1269 CB ALA 201 33.448 -15.481 34.231 1.00 19.85 MOLA

ATOM 1270 C ALA 201 35.071 -14.188 35.586 1.00 21.71 MOLA

ATOM 1271 O ALA 201 36.179 -14.730 35.457 1.00 23.25 MOLA

ATOM 1272 N GLY 202 34.899 -12.862 35.679 1.00 18.99 MOLA

ATOM 1273 CA GLY 202 36.042 -11.959 35.687 1.00 17.49 MOLA

ATOM 1274 C GLY 202 36.172 -11.007 34.517 1.00 17.59 MOLA

ATOM 1275 O GLY 202 37.152 -10.261 34.397 1.00 17.85 MOLA

ATOM 1276 N ALA 203 35.179 -11.028 33.643 1.00 16.99 MOLA

ATOM 1277 CA ALA 203 35.189 -10.161 32.480 1.00 14.99 MOLA

ATOM 1278 CB ALA 203 33.995 -10.469 31.609 1.00 16.38 MOLA

ATOM 1279 C ALA 203 35.152 -8.719 32.940 1.00 15.29 MOLA

ATOM 1280 O ALA 203 34.355 -8.351 33.806 1.00 19.63 MOLA

ATOM 1281 N ALA 204 36.031 -7.902 32.375 1.00 14.30 MOLA

ATOM 1282 CA ALA 204 36.084 -6.489 32.723 1.00 10.68 MOLA

ATOM 1283 CB ALA 204 37.374 -5.880 32.218 1.00 8.82 MOLA

ATOM 1284 C ALA 204 34.897 -5.769 32.119 1.00 11.95 MOLA

ATOM 1285 O ALA 204 34.429 -4.762 32.645 1.00 16.53 MOLA

ATOM 1286 N ALA 205 34.385 -6.269 31.009 1.00 12.20 MOLA

ATOM 1287 CA ALA 205 33.263 -5.604 30.382 1.00 13.23 MOLA

ATOM 1288 CB ALA 205 33.746 -4.357 29.680 1.00 8.82 MOLA

ATOM 1289 C ALA 205 32.610 -6.535 29.391 1.00 15.56 MOLA

ATOM 1290 O ALA 205 33.194 -7.557 29.022 1.00 18.68 MOLA

ATOM 1291 N VAL 206 31.390 -6.202 28.976 1.00 14.33 MOLA

ATOM 1292 CA VAL 206 30.717 -7.011 27.968 1.00 17.21 MOLA

ATOM 1293 CB VAL 206 29.422 -7.683 28.488 1.00 15.38 MOLA

ATOM 1294 CGI VAL 206 29.749 -8.663 29.614 1.00 12.39 MOLA

ATOM 1295 CG2 VAL 206 28.434 -6.648 28.933 1.00 15.94 MOLA

ATOM 1296 C VAL 206 30.382 -6.113 26.785 1.00 17.26 MOLA

ATOM 1297 O VAL 206 29.934 -4.980 26.957 1.00 18.29 MOLA

ATOM 1298 N ASP 207 30.621 -6.628 25.585 1.00 18.97 MOLA

ATOM 1299 CA ASP 207 30.369 -5.874 24.362 1.00 23.22 MOLA

ATOM 1300 CB ASP 207 31.567 -6.010 23.423 1.00 22.78 MOLA

ATOM 1301 CG ASP 207 31.455 -5.139 22.211 1.00 22.66 MOLA

ATOM 1302 OD1 ASP 207 30.410 -5.161 21.534 1.00 25.63 MOLA ATOM 1303 OD2 ASP 207 32.,427 -4..434 21.,922 1.00 30.,02 MOLA

ATOM 1304 C ASP 207 29. .091 -6. .381 23. .690 1.00 25, .87 MOLA

ATOM 1305 O ASP 207 29, .083 -7, .452 23, .072 1.00 25, .60 MOLA

ATOM 1306 N ILΞ 208 28, .027 -5, .581 23, .817 1.00 28, .64 MOLA

ATOM 1307 CA ILΞ 208 26, .702 -5, .878 23, .276 1.00 31, .13 MOLA

ATOM 1308 CB ILΞ 208 25, .594 -5, .068 24, .002 1.00 31, .69 MOLA

ATOM 1309 CG2 ILΞ 208 24, .222 -5. .592 23. .604 1.00 36, .81 MOLA

ATOM 1310 CGI ILΞ 208 25, .754 -5, .175 25. .519 1.00 27. .37 MOLA

ATOM 1311 CDl ILΞ 208 25, .848 -6, .595 26. .018 1.00 31. .10 MOLA

ATOM 1312 C ILΞ 208 26, .566 -5. .564 21. .794 1.00 36. .30 MOLA

ATOM 1313 O ILΞ 208 26, .681 -4, .401 21, .365 1.00 36. .11 MOLA

ATOM 1314 N GLY 209 26, .284 -6. .606 21, .022 1.00 41. .07 MOLA

ATOM 1315 CA GLY 209 26, .129 -6, .447 19. .594 1.00 48. .07 MOLA

ATOM 1316 C GLY 209 24, .755 -6, .782 19. .029 1.00 51. .45 MOLA

ATOM 1317 O GLY 209 24, .598 -6, .788 17, .809 1.00 55. ,64 MOLA

ATOM 1318 N GLY 210 23, .762 -7, .050 19, .878 1.00 51. .42 MOLA

ATOM 1319 CA GLY 210 22, .431 -7. .380 19, .375 1.00 51. .95 MOLA

ATOM 1320 C GLY 210 21, .734 -6, .295 18. .562 1.00 51. .11 MOLA

ATOM 1321 O GLY 210 20, .530 -6, .367 18. .294 1.00 48. .84 MOLA

ATOM 1322 N ARG 226 18, .139 -24, .668 7, .041 1.00 63. .05 MOLA

ATOM 1323 CA ARG 226 16, .697 -24, .831 7, .229 1.00 64. .97 MOLA

ATOM 1324 CB ARG 226 16, .292 -26, .270 6, .913 0.00 63, .27 MOLA

ATOM 1325 CG ARG 226 16, .619 -26. .703 5, .495 0.00 61, .69 MOLA

ATOM 1326 CD ARG 226 16, .253 -28, .157 5, .267 0.00 60, .37 MOLA

ATOM 1327 NΞ ARG 226 16, .610 -28, .599 3, .923 0.00 59, .47 MOLA

ATOM 1328 CZ ARG 226 16, .420 -29, .832 3, .467 0.00 59, .05 MOLA

ATOM 1329 NHl ARG 226 16, .779 -30, .143 2, .229 0.00 58, .82 MOLA

ATOM 1330 NH2 ARG 226 15, .874 -30, .754 4, .247 0.00 58, .82 MOLA

ATOM 1331 C ARG 226 16, .271 -24, .475 8. .657 1.00 66, .67 MOLA

ATOM 1332 O ARG 226 15, .108 -24, .147 8, .913 1.00 67, .23 MOLA

ATOM 1333 N GLN 227 17, .234 -24, .541 9, .576 1.00 68, .16 MOLA

ATOM 1334 CA GLN 227 17, .034 -24, .233 10, .993 1.00 66. .38 MOLA

ATOM 1335 CB GLN 227 18, .055 -24, .995 11, .848 1.00 67. .00 MOLA

ATOM 1336 CG GLN 227 17, .801 -26, .492 12, .026 1.00 70, .82 MOLA

ATOM 1337 CD GLN 227 18, .108 -27, .320 10, .787 1.00 73, .38 MOLA

ATOM 1338 OΞl GLN 227 17, .417 -27, .217 9, .759 1.00 75. .61 MOLA

ATOM 1339 NΞ2 GLN 227 19, .146 -28, .158 10, .880 1.00 72. .38 MOLA

ATOM 1340 C GLN 227 17, .197 -22, .736 11, .263 1.00 65. ,12 MOLA

ATOM 1341 O GLN 227 16, .642 -22, .203 12, .227 1.00 62. .77 MOLA

ATOM 1342 N ILΞ 228 17, .977 -22, .072 10, .415 1.00 65. .48 MOLA

ATOM 1343 CA ILΞ 228 18, .235 -20, .642 10, .549 1.00 65. .29 MOLA

ATOM 1344 CB ILΞ 228 18 .996 -20, .094 9, .311 1.00 65, .21 ^"MOLA

ATOM 1345 CG2 ILΞ 228 19 .498 -18, .657 9, .585 1.00 62, .05 MOLA

ATOM 1346 CGI ILΞ 228 20 .155 -21 .037 8, .972 1.00 63, .87 MOLA

ATOM 1347 CDl ILΞ 228 20 .883 -20 .693 7, .699 1.00 62. .33 MOLA

ATOM 1348 C ILΞ 228 16 .929 -19, .870 10, .686 1.00 64. .71 MOLA

ATOM 1349 O ILΞ 228 16 .901 -18 .780 11, .259 1.00 67. .50 MOLA

ATOM 1350 N SΞR 229 15 .847 -20, .443 10, .165 1.00 61, .07 MOLA

ATOM 1351 CA SΞR 229 14 .547 -19, .795 10, .233 1.00 56, .69 MOLA

ATOM 1352 CB SΞR 229 13 .502 -20, .585 9, .421 1.00 58, .38 MOLA

ATOM 1353 OG SΞR 229 13 .423 -21, .949 9, .801 1.00 64, .12 MOLA

ATOM 1354 C SΞR 229 14 .083 -19, .612 11, .683 1.00 52, .91 MOLA

ATOM 1355 O SΞR 229 13 .300 -18, .710 11, .971 1.00 53, .84 MOLA

ATOM 1356 N PHΞ 230 14, .570 -20, .464 12, .587 1.00 49, .94 MOLA

ATOM 1357 CA PHΞ 230 14, .207 -20, .420 14, .008 1.00 46, .22 MOLA ATOM 1358 CB PHE 230 14,.779 -21,.637 14..747 1.00 45,.95 MOLA

ATOM 1359 CG PHE 230 14, .232 -22, .949 14, .269 1.00 51, .12 MOLA

ATOM 1360 CDl PHE 230 15, .053 -24, .076 14, .187 1.00 52, .53 MOLA

ATOM 1361 CD2 PHΞ 230 12, .893 -23, .067 13, .880 1.00 51, .94 MOLA

ATOM 1362 CΞl PHΞ 230 14, .552 -25, .300 13, .719 1.00 51, .10 MOLA

ATOM 1363 CΞ2 PHE 230 12, .386 -24, .277 13, .416 1.00 51, .30 MOLA

ATOM 1364 CZ PHE 230 13, .222 -25, .398 13, .333 1.00 52, .87 MOLA

ATOM 1365 C PHΞ 230 14, .711 -19, .171 14, ,701 1.00 43, .21 MOLA

ATOM 1366 O PHΞ 230 14, .147 -18, .734 15, .703 1.00 42, .28 MOLA

ATOM 1367 N PHΞ 231 15, .778 -18, .595 14, .170 1.00 41, .29 MOLA

ATOM 1368 CA PHE 231 16, .346 -17, .431 14, .798 1.00 42. .49 MOLA

ATOM 1369 CB PHE 231 17. .842 -17, .671 15, .051 1.00 43, .71 MOLA

ATOM 1370 CG PHΞ 231 18, .132 -19, .017 15, .676 1.00 48, .32 MOLA

ATOM 1371 CDl PHΞ 231 18, .539 -20. .088 14, .882 1.00 51, .36 MOLA

ATOM 1372 CD2 PHE 231 17, .927 -19. .242 17, .041 1.00 47, .86 MOLA

ATOM 1373 CΞl PHΞ 231 18, .735 -21. .371 15, .440 1.00 53, .66 MOLA

ATOM 1374 CΞ2 PHΞ 231 18, .117 -20. .508 17, .605 1.00 48. .04 MOLA

ATOM 1375 CZ PHΞ 231 18, .521 -21, .573 16, .805 1.00 50, .54 MOLA

ATOM 1376 C PHΞ 231 16. .113 -16. .126 14, .051 1.00 42, .87 MOLA

ATOM 1377 O PHΞ 231 16. .908 -15. .201 14, .163 1.00 44, .14 MOLA

ATOM 1378 N ASN 232 15, .017 -16. .038 13, .304 1.00 43, .99 MOLA

ATOM 1379 CA ASN 232 14, .693 -14. .817 12, .567 1.00 45, .44 MOLA

ATOM 1380 CB ASN 232 13, .580 -15, .065 11, .549 1.00 47, .68 MOLA

ATOM 1381 CG ASN 232 14, ,076 -15, .793 10, .321 1.00 50, .08 MOLA

ATOM 1382 OD1 ASN 232 14. .596 -16, .901 10, .413 1.00 50, .68 MOLA

ATOM 1383 ND2 ASN 232 13, .922 -15, .168 9, .158 1.00 53. .27 MOLA

ATOM 1384 C ASN 232 14, .267 -13, .698 13. .510 1.00 45. .62 MOLA

ATOM 1385 O ASN 232 14, .585 -12. .533 13, .282 1.00 47, .26 MOLA

ATOM 1386 N SΞR 233 13, ,537 -14, ,025 14, .566 1.00 44, .67 MOLA

ATOM 1387 CA SΞR 233 13, ,151 -12, .974 15, .497 1.00 44. .31 MOLA

ATOM 1388 CB SΞR 233 11, ,622 -12, .852 15, .574 1.00 42, .42 MOLA

ATOM 1389 OG SΞR 233 11, ,109 -12. ,345 14, .355 1.00 43, .10 MOLA

ATOM 1390 C SΞR 233 13, ,731 -13. .286 16, .872 1.00 40. ,56 MOLA

ATOM 1391 O SER 233 13, ,146 -12. .960 17, .895 1.00 41. ,07 MOLA

ATOM 1392 N TRP 234 14, ,910 -13, .889 16, .878 1.00 36. .23 MOLA

ATOM 1393 CA TRP 234 15, ,570 -14, ,310 18, .106 1.00 34, .69 MOLA

ATOM 1394 CB TRP 234 16, ,316 -15, .607 17, .802 1.00 32, .61 MOLA

ATOM 1395 CG TRP 234 16, .840 -16, .313 18, .991 1.00 28. .86 MOLA

ATOM 1396 CD2 TRP 234 16, .245 -17. .447 19, .629 1.00 25. .79 MOLA

ATOM 1397 CB2 TRP 234 17. .034 -17. .752 20. .757 1.00 21. .76 MOLA

ATOM 1398 CΞ3 TRP 234 15, ,120 -18. .235 19. .351 1.00 20. .42 MOLA

ATOM 1399 CDl TRP 234 17, ,945 -15. .988 19. ,727 1.00 25. .64 MOLA

ATOM 1400 NΞ1 TRP 234 18, .062 -16, .848 20. .796 1.00 24. .68 MOLA

ATOM 1401 CZ2 TRP 234 16, .730 -18, .808 21, .607 1.00 22. .34 MOLA

ATOM 1402 CZ3 TRP 234 14, .821 -19, .281 20, .192 1.00 20. .29 MOLA

ATOM 1403 CH2 TRP 234 15, .620 -19, .561 21, .308 1.00 21. .93 MOLA

ATOM 1404 C TRP 234 16, ,538 -13, .289 18, .703 1.00 36. ,15 MOLA

ATOM 1405 O TRP 234 17, ,343 -12, .704 17, .988 1.00 38. ,11 MOLA

ATOM 1406 N GLY 235 16, .497 -13, .078 20, .009 1.00 33. .49 MOLA

ATOM 1407 CA GLY 235 17, .459 -12, .146 20, .546 1.00 30. .45 MOLA

ATOM 1408 C GLY 235 16, .921 -11, .001 21, .348 1.00 27. .39 MOLA

ATOM 1409 O GLY 235 15, ,740 -10, .922 21. .630 1.00 31. .76 MOLA

ATOM 1410 N ILΞ 236 17, ,827 -10. .104 21. .705 1.00 22. .91 MOLA

ATOM 1411 CA ILΞ 236 17. ,552 -8. .916 22. ,492 1.00 15. .52 MOLA

ATOM 1412 CB ILΞ 236 18, .160 -9. .083 23, .858 1.00 13. .58 MOLA ATOM 1413 CG2 ILΞ 236 18.000 -7.843 24.692 1.00 8.41 MOLA

ATOM 1414 CGI ILΞ 236 17.540 -10.304 24.511 1.00 14.48 MOLA

ATOM 1415 CDl ILΞ 236 18.192 -10.648 25.807 1.00 22.08 MOLA

ATOM 1416 C ILΞ 236 18.256 -7.779 21.762 1.00 17.22 MOLA

ATOM 1417 O ILΞ 236 19.429 -7.904 21.389 1.00 16.57 MOLA

ATOM 1418 N SΞR 237 17.555 -6.671 21.551 1.00 14.39 MOLA

ATOM 1419 CA SΞR 237 18.151 -5.556 20.840 1.00 14.90 MOLA

ATOM 1420 CB SΞR 237 17.099 -4.503 20.565 1.00 14.85 MOLA

ATOM 1421 OG SΞR 237 16.642 -3.966 21.788 1.00 19.81 MOLA

ATOM 1422 C SΞR 237 19.287 -4.933 21.632 1.00 19.34 MOLA

ATOM 1423 O SΞR 237 19.370 -5.102 22.855 1.00 20.90 MOLA

ATOM 1424 N THR 238 20.162 -4.206 20.936 1.00 17.56 MOLA

ATOM 1425 CA THR 238 21.272 -3.555 21.609 1.00 16.30 MOLA

ATOM 1426 CB THR 238 22.098 -2.651 20.671 1.00 17.90 MOLA

ATOM 1427 OGl THR 238 22.731 -3.442 19.649 1.00 27.56 MOLA

ATOM 1428 CG2 THR 238 23.176 -1.936 21.458 1.00 15.45 MOLA

ATOM 1429 C THR 238 20.743 -2.675 22.737 1.00 15.60 MOLA

ATOM 1430 O THR 238 21.260 -2.704 23.858 1.00 17.54 MOLA

ATOM 1431 N ALA 239 19.711 -1.893 22.447 1.00 10.66 MOLA

ATOM 1432 CA ALA 239 19.150 -0.999 23.444 1.00 12.32 MOLA

ATOM 1433 CB ALA 239 18.076 -0.134 22.818 1.00 4.03 MOLA

ATOM 1434 C ALA 239 18.592 -1.734 24.646 1.00 14.52 MOLA

ATOM 1435 O ALA 239 18.868 -1.377 25.792 1.00 16.91 MOLA

ATOM 1436 N ALA 240 17.797 -2.760 24.384 1.00 14.25 MOLA

ATOM 1437 CA ALA 240 17.196 -3.517 25.462 1.00 14.35 MOLA

ATOM 1438 CB ALA 240 16.279 -4.574 24.889 1.00 13.52 MOLA

ATOM 1439 C ALA 240 18.242 -4.157 26.397 1.00 16.85 MOLA

ATOM 1440 O ALA 240 18.036 -4.236 27.610 1.00 14.97 MOLA

ATOM 1441 N SΞR 241 19.368 -4.597 25.826 1.00 18.87 MOLA

ATOM 1442 CA SΞR 241 20.447 -5.239 26.595 1.00 18.52 MOLA

ATOM 1443 CB SΞR 241 21.460 -5.881 25.653 1.00 13.89 MOLA

ATOM 1444 OG SΞR 241 20.802 -6.702 24.714 1.00 17.95 MOLA

ATOM 1445 C SΞR 241 21.154 -4.248 27.503 1.00 18.83 MOLA

ATOM 1446 O SER 241 21_*352 -4.498 8 ■ 92 1.00 20.45 MOLA

ATOM 1447 N LΞU 242 21.548 -3.121 26.932 1.00 18.71 MOLA

ATOM 1448 CA LΞU 242 22.211 -2.089 27.689 1.00 17.31 MOLA

ATOM 1449 CB LΞU 242 22.464 -0.876 26.795 1.00 16.74 MOLA

ATOM 1450 CG LΞU 242 23.543 -1.087 25.743 1.00 13.57 MOLA

ATOM 1451 CDl LΞU 242 23.520 0.045 24.780 1.00 12.09 MOLA

ATOM 1452 CD2 LΞU 242 24.906 -1.198 26.437 1.00 13.01 MOLA

ATOM 1453 C LΞU 242 21.334 -1.684 28.869 1.00 21.85 MOLA

ATOM 1454 O LΞU 242 21.809 -1.611 30.000 1.00 24.96 MOLA

ATOM 1455 N ALA 243 20.049 -1.432 28.619 1.00 20.23 MOLA

ATOM 1456 CA ALA 243 19.156 -1.015 29.691 1.00 20.15 MOLA

ATOM 1457 CB ALA 243 17.803 -0.601 29.132 1.00 18.58 MOLA

ATOM 1458 C ALA 243 18.985 -2.100 30.751 1.00 23.87 MOLA

ATOM 1459 O ALA 243 18.994 -1.808 31.944 1.00 28.57 MOLA

ATOM 1460 N GLU 244 18.833 -3.344 30.305 1.00 25.22 MOLA

ATOM 1461 CA GLU 244 18.647 -4.500 31.187 1.00 24.31 MOLA

ATOM 1462 CB GLU 244 18.350 -5.759 30.332 1.00 27.03 MOLA

ATOM 1463 CG GLU 244 17.282 -6.719 30.886 1.00 27.22 MOLA

ATOM 1464 CD GLU 244 17.114 -7.968 30.035 1.00 28.46 MOLA

ATOM 1465 OΞl GLU 244 17.847 -8.945 30.271 1.00 26.32 MOLA

ATOM 1466 OΞ2 GLU 244 16.252 -7.972 29.126 1.00 29.13 MOLA

ATOM 1467 C GLU 244 19.898 -4.729 32.045 1.00 22.63 MOLA ATOM 1468 O GLU 244 19.826 -4.776 33.273 1.00 20.69 MOLA

ATOM 1469 N ILΞ 245 21.045 -4.884 31.391 1.00 20.22 MOLA

ATOM 1470 CA ILΞ 245 22.301 -5.105 32.103 1.00 20.17 MOLA

ATOM 1471 CB ILΞ 245 23.464 -5.286 31.111 1.00 14.43 MOLA

ATOM 1472 CG2 ILΞ 245 24.793 -5.338 31.832 1.00 12.35 MOLA

ATOM 1473 CGI ILΞ 245 23.252 -6.583 30.334 1.00 14.76 MOLA

ATOM 1474 CDl ILΞ 245 24.197 -6.787 29.170 1.00 9.27 MOLA

ATOM 1475 C ILΞ 245 22.611 -3.950 33.050 1.00 23.46 MOLA

ATOM 1476 O ILΞ 245 23.057 -4.162 34.173 1.00 23.77 MOLA

ATOM 1477 N ARG 246 22.364 -2.726 32.606 1.00 24.98 MOLA

ATOM 1478 CA ARG 246 22.637 -1.586 33.462 1.00 24.67 MOLA

ATOM 1479 CB ARG 246 22.390 -0.277 32.719 1.00 22.96 MOLA

ATOM 1480 CG ARG 246 22.717 0.950 33.548 1.00 19.57 MOLA

ATOM 1481 CD ARG 246 22.278 2.168 32.825 1.00 20.90 MOLA

ATOM 1482 NΞ ARG 246 23.086 3.330 33.146 1.00 27.43 MOLA

ATOM 1483 CZ ARG 246 22.986 4.501 32.521 1.00 32.39 MOLA

ATOM 1484 NHl ARG 246 23.759 5.510 32.874 1.00 33.67 MOLA

ATOM 1485 NH2 ARG 246 22.100 4.671 31.544 1.00 36.62 MOLA

ATOM 1486 C ARG 246 21.806 -1.594 34.742 1.00 26.16 MOLA

ATOM 1487 O ARG 246 22.295 -1.186 35.789 1.00 26.31 MOLA

ATOM 1488 N SΞR 247 20.556 -2.059 34.651 1.00 24.86 MOLA

ATOM 1489 CA SΞR 247 19.640 -2.133 35.795 1.00 22.95 MOLA

ATOM 1490 CB SΞR 247 18.269 -2.651 35.352 1.00 22.36 MOLA

ATOM 1491 OG SΞR 247 18.132 -4.044 35.584 1.00 29.43 MOLA

ATOM 1492 C SΞR 247 20.175 -3.041 36.901 1.00 24.31 MOLA

ATOM 1493 O SΞR 247 19.920 -2.816 38.074 1.00 22.56 MOLA

ATOM 1494 N GLU 248 20.911 -4.078 36.528 1.00 26.25 MOLA

ATOM 1495 CA GLU 248 21.452 -4.991 37.528 1.00 28.86 MOLA

ATOM 1496 CB GLU 248 21.415 -6.429 37.031 1.00 33.85 MOLA

ATOM 1497 CG GLU 248 20.017 -6.950 36.815 1.00 42.31 MOLA

ATOM 1498 CD GLU 248 19.302 -7.146 38.122 1.00 45.32 MOLA

ATOM 1499 OΞl GLU 248 18.052 -7.185 38.114 1.00 48.94 MOLA

ATOM 1500 OΞ2 GLU 248 19.998 -7.268 39.153 1.00 45.10 MOLA

ATOM 1501 C GLU 248 -4.662 37.899 1.00 28.17 MOLA

ATOM 1502 O GLU 248 23.334 -5.033 38.968 1.00 31.56 MOLA

ATOM 1503 N PHΞ 249 23.597 -3.986 37.023 1.00 26.28 MOLA

ATOM 1504 CA PHΞ 249 24.980 -3.682 37.343 1.00 26.49 MOLA

ATOM 1505 CB PHΞ 249 25.912 -4.662 36.621 1.00 22.38 MOLA

ATOM 1506 CG PHΞ 249 25.476 -6.086 36.721 1.00 21.50 MOLA

ATOM 1507 CDl PHΞ 249 24.578 -6.606 35.802 1.00 26.53 MOLA

ATOM 1508 CD2 PHE 249 25.935 -6.905 37.741 1.00 22.68 MOLA

ATOM 1509 CΞl PHE 249 24.135 -7.937 35.898 1.00 27.35 MOLA

ATOM 1510 CΞ2 PHΞ 249 25.503 -8.226 37.847 1.00 23.63 MOLA

ATOM 1511 CZ PHΞ 249 24.599 -8.747 36.924 1.00 25.21 MOLA

ATOM 1512 C PHΞ 249 25.283 -2.262 36.949 1.00 26.53 MOLA

ATOM 1513 O PHΞ 249 25.960 -2.015 35.951 1.00 29.12 MOLA

ATOM 1514 N PRO 250 24.809 -1.292 37.750 1.00 26.71 MOLA

ATOM 1515 CD PRO 250 24.147 -1.496 39.048 1.00 23.35 MOLA

ATOM 1516 CA PRO 250 25.006 0.143 37.494 1.00 26.22 MOLA

ATOM 1517 CB PRO 250 24.343 0.818 38.690 1.00 23.02 MOLA

ATOM 1518 CG PRO 250 23.416 -0.197 39.231 1.00 21.73 MOLA

ATOM 1519 C PRO 250 26.426 0.664 37.321 1.00 27.71 MOLA

ATOM 1520 O PRO 250 26.603 1.735 36.744 1.00 31.06 MOLA

ATOM 1521 N ALA 251 27.427 -0.057 37.828 1.00 28.62 MOLA

ATOM 1522 CA ALA 251 28.815 0.403 37.748 1.00 28.53 MOLA ATOM 1523 CB ALA 251 29.438 0.358 39.122 1.00 25.59 MOLA

ATOM 1524 C ALA 251 29.680 -0.370 36.771 1.00 29.91 MOLA

ATOM 1525 O ALA 251 30.756 0.086 36.376 1.00 31.90 MOLA

ATOM 1526 N SΞR 252 29.196 -1.543 36.386 1.00 30.02 MOLA

ATOM 1527 CA SΞR 252 29.911 -2.403 35.454 1.00 29.05 MOLA

ATOM 1528 CB SΞR 252 29.221 -3.766 35.356 1.00 29.38 MOLA

ATOM 1529 OG SΞR 252 29.584 -4.577 36.464 1.00 31.32 MOLA

ATOM 1530 C SΞR 252 30.047 -1.785 34.072 1.00 24.37 MOLA

ATOM 1531 O SΞR 252 29.188 -1.035 33.642 1.00 24.09 MOLA

ATOM 1532 N THR 253 31.134 -2.108 33.378 1.00 22.49 MOLA

ATOM 1533 CA THR 253 31.384 -1.577 32.052 1.00 19.79 MOLA

ATOM 1534 CB THR 253 32.884 -1.520 31.753 1.00 19.69 MOLA

ATOM 1535 OGl THR 253 33.483 -0.469 32.533 1.00 23.81 MOLA

ATOM 1536 CG2 THR 253 33.128 -1.264 30.257 1.00 16.64 MOLA

ATOM 1537 C THR 253 30.715 -2.321 30.924 1.00 19.64 MOLA

ATOM 1538 O THR 253 30.837 -3.532 30.797 1.00 20.87 MOLA

ATOM 1539 N MΞT 254 30.030 -1.561 30.079 1.00 21.56 MOLA

ATOM 1540 CA MΞT 254 29.330 -2.118 28.922 1.00 19.93 MOLA

ATOM 1541 CB MΞT 254 27.820 -1.891 29.015 1.00 19.56 MOLA

ATOM 1542 CG MΞT 254 27.119 -2.389 30.249 1.00 12.19 MOLA

ATOM 1543 SD MΞT 254 25.342 -2.316 29.980 1.00 22.97 MOLA

ATOM 1544 CΞ MΞT 254 25.008 -0.591 30.071 1.00 13.71 MOLA

ATOM 1545 C MΞT 254 29.804 -1.415 27.650 1.00 20.45 MOLA

ATOM 1546 O MΞT 254 30.168 -0.235 27.677 1.00 24.04 MOLA

ATOM 1547 N ILΞ 255 29.772 -2.121 26.527 1.00 18.70 MOLA

ATOM 1548 CA ILΞ 255 30.163 -1.517 25.258 1.00 15.95 MOLA

ATOM 1549 CB ILΞ 255 31.546 -2.040 24.786 1.00 13.55 MOLA

ATOM 1550 CG2 ILΞ 255 31.772 -1.689 23.340 1.00 12.20 MOLA

ATOM 1551 CGI ILΞ 255 32.638 -1.439 25.676 1.00 14.55 MOLA

ATOM 1552 CDl ILΞ 255 34.026 -2.038 25.514 1.00 13.68 MOLA

ATOM 1553 C ILΞ 255 29.090 -1.827 24.230 1.00 17.32 MOLA

ATOM 1554 O ILΞ 255 28.448 -2.873 24.292 1.00 16.33 MOLA

ATOM 1555 N ALA 256 28.857 -0.913 23.302 1.00 15.66 MOLA

ATOM 1556 CA ALA 256 27.859 -1.189 22.291 1.00 19.10 MOLA

ATOM 1557 CB ALA 256 26.712 -0.200 22.413 1.00 17.79 MOLA

ATOM 1558 C ALA 256 28.540 -1.092 20.926 1.00 21.74 MOLA

ATOM 1559 O ALA 256 29.165 -0.084 20.610 1.00 24.00 MOLA

ATOM 1560 N SΞR 257 28.416 -2.154 20.132 1.00 22.60 MOLA

ATOM 1561 CA SΞR 257 29.028 -2.221 18.806 1.00 23.75 MOLA

ATOM 1562 CB SΞR 257 30.252 -3.109 18.841 1.00 25.42 MOLA

ATOM 1563 OG SΞR 257 30.926 -2.967 20.062 1.00 31.86 MOLA

ATOM 1564 C SΞR 257 28.056 -2.837 17.825 1.00 25.10 MOLA

ATOM 1565 O SΞR 257 27.197 -3.632 18.211 1.00 27.79 MOLA

ATOM 1566 N GLY 258 28.177 -2.483 16.554 1.00 23.64 MOLA

ATOM 1567 CA GLY 258 27.281 -3.079 15.586 1.00 21.75 MOLA

ATOM 1568 C GLY 258 25.957 -2.381 15.412 1.00 21.70 MOLA

ATOM 1569 O GLY 258 25.149 -2.249 16.341 1.00 23.01 MOLA

ATOM 1570 N GLY 259 25.735 -1.925 14.191 1.00 22.02 MOLA

ATOM 1571 CA GLY 259 24.500 -1.244 13.883 1.00 25.48 MOLA

ATOM 1572 C GLY 259 24.561 0.253 14.024 1.00 26.67 MOLA

ATOM 1573 O GLY 259 23.885 0.947 13.271 1.00 30.54 MOLA

ATOM 1574 N LΞU 260 25.340 0.746 14.985 1.00 28.68 MOLA

ATOM 1575 CA LΞU 260 25.469 2.177 15.232 1.00 29.43 MOLA

ATOM 1576 CB LEU 260 26.618 2.434 16.212 1.00 29.18 MOLA

ATOM 1577 CG LEU 260 26.627 1.486 17.425 1.00 27.97 MOLA ATOM 1578 CDl LEU 260 27.,759 1.860 18..346 1.00 33..99 MOLA

ATOM 1579 CD2 LEU 260 25. ,329 1.541 18. .182 1.00 29, .05 MOLA

ATOM 1580 C LΞU 260 25. ,694 2.886 13. .896 1.00 33. .01 MOLA

ATOM 1581 O LΞU 260 26. ,754 2.796 13. .293 1.00 32, .83 MOLA

ATOM 1582 N GLN 261 24. ,675 3.607 13. .444 1.00 36, .92 MOLA

ATOM 1583 CA GLN 261 24. ,727 4.281 12. .155 1.00 35. ,84 MOLA

ATOM 1584 CB GLN 261 23. ,304 4.476 11. .632 1.00 42. .20 MOLA

ATOM 1585 CG GLN 261 22. ,447 3.211 11. .565 1.00 50. .85 MOLA

ATOM 1586 CD GLN 261 20. ,939 3.498 11. .673 1.00 57, .55 MOLA

ATOM 1587 OE1 GLN 261 20. ,108 2.634 11. .366 1.00 61, .63 MOLA

ATOM 1588 NΞ2 GLN 261 20. ,585 4.712 12. .109 1.00 58, .64 MOLA

ATOM 1589 C GLN 261 25. ,458 5.592 12. .126 1.00 34, .21 MOLA

ATOM 1590 O GLN 261 26. .038 5.951 11. .097 1.00 37, .70 MOLA

ATOM 1591 N ASP 262 25. .452 6.315 13. .240 1.00 29. .80 MOLA

ATOM 1592 CA ASP 262 26. .092 7.622 13. .280 1.00 23. ,16 MOLA

ATOM 1593 CB ASP 262 25. .194 8.629 12. .571 1.00 25. .62 MOLA

ATOM 1594 CG ASP 262 23. .768 8.610 13. .095 1.00 26. .97 MOLA

ATOM 1595 OD1 ASP 262 23, .566 8.923 14. .288 1.00 28. .94 MOLA

ATOM 1596 OD2 ASP 262 22, .843 8.274 12. .324 1.00 27. .67 MOLA

ATOM 1597 C ASP 262 26, .348 8.089 14, .694 1.00 20. .27 MOLA

ATOM 1598 O ASP 262 26. .194 7.331 15, .639 1.00 19. .87 MOLA

ATOM 1599 N ALA 263 26. .738 9.352 14. .836 1.00 21. ,62 MOLA

ATOM 1600 CA ALA 263 27. .033 9.927 16, .148 1.00 19. .07 MOLA

ATOM 1601 CB ALA 263 27. .473 11.365 15. .997 1.00 13, .97 MOLA

ATOM 1602 C ALA 263 25. .866 9.832 17, .103 1.00 18, .99 MOLA

ATOM 1603 O ALA 263 26, .049 9.506 18, .276 1.00 19. .66 MOLA

ATOM 1604 N LΞU 264 24. .665 10.118 16. .608 1.00 18, .87 MOLA

ATOM 1605 CA LΞU 264 23, .471 10.063 17, .450 1.00 16, .79 MOLA

ATOM 1606 CB LΞU 264 22, .244 10.507 16, .662 1.00 13, .11 MOLA

ATOM 1607 CG LΞU 264 20, .960 10.627 17, .490 1.00 12, .87 MOLA

ATOM 1608 CDl LΞU 264 21, .193 11.598 18. .651 1.00 13. .23 MOLA

ATOM 1609 CD2 LEU 264 19, .802 11.080 16, .617 1.00 5. .17 MOLA

ATOM 1610 C LEU 264 23, .260 8.654 18, .021 1.00 19. .88 MOLA

ATOM 1611 O LEU 264 22, .841 8.506 19, .162 1.00 21. .59 MOLA

ATOM 1612 N ASP 265 23, .546 7.615 17, .238 1.00 24. .02 MOLA

ATOM 1613 CA ASP 265 23, .406 6.247 17, .742 1.00 26, .37 MOLA

ATOM 1614 CB ASP 265 23, .645^' 5.212 16, .644 1.00 27, .78 MOLA

ATOM 1615 CG ASP 265 22, .405 4.953 15, .829 1.00 29, .63 MOLA

ATOM 1616 OD1 ASP 265 22, .475 4.229 14, .806 1.00 28, .42 MOLA

ATOM 1617 OD2 ASP 265 21, .355 5.486 16, .227 1.00 28, .86 MOLA

ATOM 1618 C ASP 265 24, .418 6.058 18 .854 1.00 25, .66 MOLA

ATOM 1619 O ASP 265 24, .124 5.429 19, .873 1.00 28. .01 MOLA

ATOM 1620 N VAL 266 25, .612 6.605 18, .655 1.00 21. .85 MOLA

ATOM 1621 CA VAL 266 26, .647 6.528 19 .664 1.00 18, .33 MOLA

ATOM 1622 CB VAL 266 27, .955 7.208 19 .185 1.00 17, .41 MOLA

ATOM 1623 CGI VAL 266 28 .943 7.322 20 .340 1.00 12, .69 MOLA

ATOM 1624 CG2 VAL 266 28, .572 6.404 18 .025 1.00 14, .03 MOLA

ATOM 1625 C VAL 266 26 .122 7.236 20 .911 1.00 18, .46 MOLA

ATOM 1626 O VAL 266 26 .187 6.685 22 .006 1.00 17, .61 MOLA

ATOM 1627 N ALA 267 25, .579 8.441 20 .746 1.00 16, .51 MOLA

ATOM 1628 CA ALA 267 25 .048 9.190 21 .881 1.00 15, .77 MOLA

ATOM 1629 CB ALA 267 24, .432 10.491 21 .419 1.00 11, .95 MOLA

ATOM 1630 C ALA 267 24, .029 8.401 22 .677 1.00 17. .35 MOLA

ATOM 1631 O ALA 267 24, .053 8.408 23 .902 1.00 19, .09 MOLA

ATOM 1632 N LYS 268 23 .124 7.718 21 .987 1.00 17. .65 MOLA ATOM 1633 CA LYS 268 22.096 6.961 22.675 1.00 15.55 MOLA

ATOM 1634 CB LYS 268 21.020 6.523 21.694 1.00 14.73 MOLA

ATOM 1635 CG LYS 268 20.441 7.655 20.896 1.00 13.32 MOLA

ATOM 1636 CD LYS 268 19.094 7.255 20.299 1.00 13.62 MOLA

ATOM 1637 CΞ LYS 268 18.533 8.326 19.381 1.00 9.85 MOLA

ATOM 1638 NZ LYS 268 17.258 7.844 18.809 1.00 13.78 MOLA

ATOM 1639 C LYS 268 22.665 5.761 23.411 1.00 17.28 MOLA

ATOM 1640 O LYS 268 22.304 5.514 24.558 1.00 18.90 MOLA

ATOM 1641 N ALA 269 23.553 5.013 22.756 1.00 17.50 MOLA

ATOM 1642 CA ALA 269 24.156 3.839 23.393 1.00 17.24 MOLA

ATOM 1643 CB ALA 269 25.196 3.207 22.469 1.00 10.65 MOLA

ATOM 1644 C ALA 269 24.782 4.249 24.738 1.00 17.02 MOLA

ATOM 1645 O ALA 269 24.535 3.616 25.771 1.00 12.72 MOLA

ATOM 1646 N ILΞ 270 25.572 5.321 24.711 1.00 16.48 MOLA

ATOM 1647 CA ILΞ 270 26.207 5.822 25.927 1.00 19.14 MOLA

ATOM 1648 CB ILΞ 270 27.166 7.024 25.607 1.00 16.76 MOLA

ATOM 1649 CG2 ILΞ 270 27.774 7.594 26.901 1.00 13.15 MOLA

ATOM 1650 CGI ILΞ 270 28.271 6.551 24.653 1.00 16.99 MOLA

ATOM 1651 CDl ILΞ 270 29.153 7.657 24.097 1.00 15.81 MOLA

ATOM 1652 C ILΞ 270 25.122 6.254 26.939 1.00 19.19 MOLA

ATOM 1653 O ILΞ 270 25.163 5.871 28.115 1.00 21.57 MOLA

ATOM 1654 N ALA 271 24.136 7.014 26.469 1.00 17.25 MOLA

ATOM 1655 CA ALA 271 23.055 7.479 27.335 1.00 15.50 MOLA

ATOM 1656 CB ALA 271 22.045 8.271 26.529 1.00 12.82 MOLA

ATOM 1657 C ALA 271 22.368 6_*313 28.024 1.00 17.19 MOLA

ATOM 1658 O ALA 271 22.012 6.391 29.198 1.00 19.93 MOLA

ATOM 1659 N LΞU 272 22.190 5.226 27.285 1.00 17.73 MOLA

ATOM 1660 CA LΞU 272 21.570 4.031 27.822 1.00 16.79 MOLA

ATOM 1661 CB LΞU 272 21.125 3.099 26.687 1.00 15.59 MOLA

ATOM 1662 CG LΞU 272 19.698 3.364 26.187 1.00 20.58 MOLA

ATOM 1663 CDl LΞU 272 19.341 2.379 25.082 1.00 17.39 MOLA

ATOM 1664 CD2 LΞU 272 18.704 3.223 27.363 1.00 19.57 MOLA

ATOM 1665 C LΞU 272 22.482 3.268 28.783 1.00 18.25 MOLA

ATOM 1666 O LΞU 272 22.031 2.302 29.401 1.00 19.17 MOLA

ATOM 1667 N GLY 273 23.751 3.686 28.903 1.00 14.98 MOLA

ATOM 1668 CA GLY 273 24.675 3.021 29.820 1.00 15.58 MOLA

ATOM 1669 C GLY 273 26.064 2.612 29.329 1.00 18.71 MOLA

ATOM 1670 O GLY 273 26.979 2.367 30.139 1.00 19.15 MOLA

ATOM 1671 N ALA 274 26.248 2.557 28.011 1.00 18.53 MOLA

ATOM 1672 CA ALA 274 27.529 2.158 27.426 1.00 18.53 MOLA

ATOM 1673 CB ALA 274 27.392 2.027 25.918 1.00 11.66 MOLA

ATOM 1674 C ALA 274 28.647 3.151 27.772 1.00 20.94 MOLA

ATOM 1675 O ALA 274 28.420 4.352 27.857 1.00 19.68 MOLA

ATOM 1676 N SΞR 275 29.858 2.633 27.966 1.00 21.50 MOLA

ATOM 1677 CA SΞR 275 30.999 3.470 28.320 1.00 18.40 MOLA

ATOM 1678 CB SΞR 275 31.839 2.764 29.376 1.00 20.98 MOLA

ATOM 1679 OG SΞR 275 31.011 2.280 30.415 1.00 35.03 MOLA

ATOM 1680 C SΞR 275 31.846 3.753 27.097 1.00 17.25 MOLA

ATOM 1681 O SΞR 275 32.701 4.632 27.094 1.00 18.36 MOLA

ATOM 1682 N CYS 276 31.574 3.002 26.043 1.00 18.21 MOLA

ATOM 1683 CA CYS 276 32.329 3.099 24.806 1.00 18.00 MOLA

ATOM 1684 CB CYS 276 33.611 2.279 24.960 1.00 17.92 MOLA

ATOM 1685 SG CYS 276 34.914 2.656 23.813 1.00 36.66 MOLA

ATOM 1686 C CYS 276 31.486 2.472 23.706 1.00 16.01 MOLA

ATOM 1687 O CYS 276 30.605 1.658 23.983 1.00 15.54 MOLA ATOM 1688 N THR 277 31..747 2.827 22.457 1.00 15.20 MOLA

ATOM 1689 CA THR 277 31. .000 2.237 21.357 1.00 19.35 MOLA

ATOM 1690 CB THR 277 30, .003 3.214 20.720 1.00 18.86 MOLA

ATOM 1691 OGl THR 277 30. .695 4.386 20.274 1.00 21.21 MOLA

ATOM 1692 CG2 THR 277 28. .924 3.592 21.702 1.00 16.50 MOLA

ATOM 1693 C THR 277 31. .959 1.802 20.267 1.00 21.59 MOLA

ATOM 1694 O THR 277 32. .974 2.447 20.037 1.00 22.32 MOLA

ATOM 1695 N GLY 278 31. .628 0.708 19.593 1.00 22.43 MOLA

ATOM 1696 CA GLY 278 32. .484 0.223 18.531 1.00 25.89 MOLA

ATOM 1697 C GLY 278 31. .899 0.389 17.152 1.00 27.11 MOLA

ATOM 1698 O GLY 278 30. .690 0.363 16.990 1.00 31.54 MOLA

ATOM 1699 N MΞT 279 32. .757 0.559 16.156 1.00 26.78 MOLA

ATOM 1700 CA MΞT 279 32. .332 0.726 14.770 1.00 27.52 MOLA

ATOM 1701 CB MΞT 279 32. .180 2.209 14.427 1.00 26.54 MOLA

ATOM 1702 CG MΞT 279 30. .900 2.838 14.931 1.00 29.51 MOLA

ATOM 1703 SD MΞT 279 30. .688 4.552 14.443 1.00 37.20 MOLA

ATOM 1704 CΞ MΞT 279 30. .738 4.349 12.708 1.00 37.86 MOLA

ATOM 1705 C MΞT 279 33. .327 0.072 13.806 1.00 29.58 MOLA

ATOM 1706 O MΞT 279 34. .540 0.234 13.939 1.00 30.93 MOLA

ATOM 1707 N ALA 280 32. .815 -0.668 12.828 1.00 31.23 MOLA

ATOM 1708 CA ALA 280 33. .660 -1.350 11.852 1.00 32.39 MOLA

ATOM 1709 CB ALA 280 33. .539 -2.855 12.020 1.00 28.61 MOLA

ATOM 1710 C ALA 280 33. .327 -0.979 10.418 1.00 36.32 MOLA

ATOM 1711 O ALA 280 33. .980 -0.119 9.815 1.00 40.35 MOLA

ATOM 1712 N GLY 281 32. .301 -1.643 9.885 1.00 39.73 MOLA

ATOM 1713 CA GLY 281 31, .861 -1.434 8.514 1.00 37.85 MOLA

ATOM 1714 C GLY 281 31, .958 -0.020 7.993 1.00 37.68 MOLA

ATOM 1715 0 GLY 281 32, .347 0.200 6.848 1.00 37.86 MOLA

ATOM 1716 N HIS 282 31. .605 0.947 8.825 1.00 37.21 MOLA

ATOM 1717 CA HIS 282 31. .664 2.329 8.398 1.00 40.32 MOLA

ATOM 1718 CB HIS 282 31. .088 3.245 9.473 1.00 44.12 MOLA

ATOM 1719 CG HIS 282 30. .939 4.663 9.028 1.00 47.99 MOLA

ATOM 1720 CD2 HIS 282 30. .600 5.182 7.824 1.00 49.73 MOLA

ATOM 1721 NDl HIS 282 31, .119 5.735 9.874 1.00 48.41 MOLA

ATOM 1722 CΞl HIS 282 30, .892 6.854 9.209 1.00 48.75 MOLA

ATOM 1723 NΞ2 HIS 282 30, .575 6.546 7.964 1.00 48.52 MOLA

ATOM 1724 C HIS 282 33, .095 2.741 8.128 1.00 41.90 MOLA

ATOM 1725 O HIS 282 33, .389 3.358 7.106 1.00 42.88 MOLA

ATOM 1726 N PHΞ 283 33, .986 2.402 9.058 1.00 44.16 MOLA

ATOM 1727 CA PHE 283 35. .391 2.753 ' 8.923 1.00 44.77 MOLA

ATOM 1728 CB PHE 283 36, .139 2.517 10.233 1.00 42.04 MOLA

ATOM 1729 CG PHΞ 283 35, .760 3.468 11.323 1.00 41.48 MOLA

ATOM 1730 CDl PHΞ 283 35, .261 4.732 11.021 1.00 39.03 MOLA

ATOM 1731 CD2 PHE 283 35, .889 3.100 12.658 1.00 42.83 MOLA

ATOM 1732 CΞl PHΞ 283 34, .886 5.616 12.023 1.00 38.22 MOLA

ATOM 1733 CΞ2 PHΞ 283 35, .517 3.980 13.675 1.00 42.08 MOLA

ATOM 1734 CZ PHΞ 283 35, .012 5.240 13.353 1.00 39.94 MOLA

ATOM 1735 C PHΞ 283 36, .077 1.997 7.803 1.00 45.39 MOLA

ATOM 1736 O PHΞ 283 36, .868 2.582 7.049 1.00 44.47 MOLA

ATOM 1737 N LΞU 284 35, .773 0.705 7.706 1.00 45.49 MOLA

ATOM 1738 CA LΞU 284 36, .349 -0.164 6.685 1.00 48.01 MOLA

ATOM 1739 CB LΞU 284 35, .689 -1.537 6.750 1.00 51.53 MOLA

ATOM 1740 CG LΞU 284 36, .478 -2.724 6.188 1.00 56.97 MOLA

ATOM 1741 CDl LΞU 284 35, .590 -3.981 6.280 1.00 58.19 MOLA

ATOM 1742 CD2 LΞU 284 36, .909 -2.469 4.747 1.00 54.94 MOLA ATOM 1743 C LΞU 284 36.109 0.452 5.317 1.00 48.26 MOLA

ATOM 1744 O LΞU 284 37.035 0.593 4.496 1.00 45.16 MOLA

ATOM 1745 N LYS 285 34.845 0.816 5.094 1.00 48.19 MOLA

ATOM 1746 CA LYS 285 34.403 1.445 3.855 1.00 46.97 MOLA

ATOM 1747 CB LYS 285 32.913 1.735 3.928 1.00 48.67 MOLA

ATOM 1748 CG LYS 285 32.359 2.413 2.698 1.00 55.38 MOLA

ATOM 1749 CD LYS 285 30.847 2.577 2.783 1.00 60.23 MOLA

ATOM 1750 CΞ LYS 285 30.299 3.244 1.527 1.00 63.31 MOLA

ATOM 1751 NZ LYS 285 28.846 3.536 1.721 1.00 66.79 MOLA

ATOM 1752 C LYS 285 35.174 2.741 3.616 1.00 46.20 MOLA

ATOM 1753 O LYS 285 35.726 2.960 2.540 1.00 44.81 MOLA

ATOM 1754 N ALA 286 35.232 3.588 4.636 1.00 45.10 MOLA

ATOM 1755 CA ALA 286 35.960 4.849 4.535 1.00 44.78 MOLA

ATOM 1756 CB ALA 286 35.902 5.591 5.869 1.00 42.84 MOLA

ATOM 1757 C ALA 286 37.419 4.619 4.131 1.00 45.00 MOLA

ATOM 1758 O ALA 286 38.046 5.461 3.493 1.00 43.26 MOLA

ATOM 1759 N LΞU 287 37.964 3.474 4.512 1.00 46.00 MOLA

ATOM 1760 CA LΞU 287 39.343 3.176 4.191 1.00 47.55 MOLA

ATOM 1761 CB LΞU 287 39.860 2.046 5.093 1.00 41.42 MOLA

ATOM 1762 CG LΞU 287 41.314 1.598 4.898 1.00 38.28 MOLA

ATOM 1763 CDl LΞU 287 42.276 2.768 5.121 1.00 30.29 MOLA

ATOM 1764 CD2 LΞU 287 41.613 0.438 5.844 1.00 34.02 MOLA

ATOM 1765 C LΞU 287 39.472 2.792 2.720 1.00 50.20 MOLA

ATOM 1766 O LΞU 287 40.330 3.322 2.011 1.00 51.55 MOLA

ATOM 1767 N THR 288 38.620 1.876 2.260 1.00 51.18 MOLA

ATOM 1768 CA THR 288 38.689 1.445 0.862 1.00 52.50 MOLA

ATOM 1769 CB THR 288 37.913 0.119 0.631 1.00 52.21 MOLA

ATOM 1770 OGl THR 288 36.556 0.265 1.070 1.00 51.29 MOLA

ATOM 1771 CG2 THR 288 38.584 -1.025 1.379 1.00 50.69 MOLA

ATOM 1772 C THR 288 38.196 2.506 -0.138 1.00 53.07 MOLA

ATOM 1773 O THR 288 38.334 2.333 -1.340 1.00 52.20 MOLA

ATOM 1774 N ASP 289 37.633 3.604 0.361 1.00 54.07 MOLA

ATOM 1775 CA ASP 289 37.133 4.670 -0.513 1.00 52.30 MOLA

ATOM 1776 CB ASP 289 35_* 2 5.001 -0.169 1.00 50.88 MOLA

ATOM 1777 CG ASP 289 34.669 3.908 -0.622 1.00 51.89 MOLA

ATOM 1778 OD1 ASP 289 35.115 2.883 -1.194 1.00 51.20 MOLA

ATOM 1779 OD2 ASP 289 33.441 4.088 -0.409 1.00 48.54 MOLA

ATOM 1780 C ASP 289 37.975 5.953 -0.456 1.00 52.00 MOLA

ATOM 1781 O ASP 289 37.877 6.797 -1.342 1.00 52.33 MOLA

ATOM 1782 N SΞR 290 38.819 6.094 0.562 1.00 51.80 MOLA

ATOM 1783 CA SΞR 290 39.622 7.311 0.684 1.00 52.10 MOLA

ATOM 1784 CB SΞR 290 38.818 8.339 1.459 1.00 50.42 MOLA

ATOM 1785 OG SΞR 290 37.448 8.174 1.163 1.00 52.28 MOLA

ATOM 1786 C SΞR 290 40.970 7.100 1.366 1.00 53.35 MOLA

ATOM 1787 O SΞR 290 41.753 8.047 1.552 1.00 53.81 MOLA

ATOM 1788 N GLY 291 41.223 5.851 1.747 1.00 53.38 MOLA

ATOM 1789 CA GLY 291 42.476 5.513 2.394 1.00 52.12 MOLA

ATOM 1790 C GLY 291 42.568 6.064 3.797 1.00 49.66 MOLA

ATOM 1791 O GLY 291 41.572 6.479 4.379 1.00 49.27 MOLA

ATOM 1792 N GLU 292 43.777 6.070 4.338 1.00 48.60 MOLA

ATOM 1793 CA GLU 292 43.993 6.558 5.690 1.00 46.93 MOLA

ATOM 1794 CB GLU 292 45.485 6.501 6.023 1.00 47.31 MOLA

ATOM 1795 CG GLU 292 45.995 5.111 6.365 1.00 44.05 MOLA

ATOM 1796 CD GLU 292 47.507 5.070 6.415 1.00 46.25 MOLA

ATOM 1797 OΞl GLU 292 48.104 6.067 6.872 1.00 45.06 MOLA ATOM 1798 OΞ2 GLU 292 48.096 4.048 5.996 1.00 46.35 MOLA

ATOM 1799 C GLU 292 43.447 7.967 5.914 1.00 45.36 MOLA

ATOM 1800 O GLU 292 42.671 8.188 6.845 1.00 41.75 MOLA

ATOM 1801 N GLU 293 43.870 8.913 5.073 1.00 46.15 MOLA

ATOM 1802 CA GLU 293 43.412 10.305 5.172 1.00 45.15 MOLA

ATOM 1803 CB GLU 293 43.915 11.141 3.976 1.00 47.36 MOLA

ATOM 1804 CG GLU 293 44.120 10.373 2.666 1.00 55.57 MOLA

ATOM 1805 CD GLU 293 45.451 9.599 2.616 1.00 58.95 MOLA

ATOM 1806 OΞl GLU 293 46.529 10.244 2.715 1.00 58.32 MOLA

ATOM 1807 OΞ2 GLU 293 45.404 8.348 2.472 1.00 59.80 MOLA

ATOM 1808 C GLU 293 41.885 10.357 5.253 1.00 40.89 MOLA

ATOM 1809 O GLU 293 41.313 11.179 5.969 1.00 39.63 MOLA

ATOM 1810 N GLY 294 41.227 9.469 4.523 1.00 37.33 MOLA

ATOM 1811 CA GLY 294 39.781 9.439 4.568 1.00 37.00 MOLA

ATOM 1812 C GLY 294 39.311 8.996 5.947 1.00 40.16 MOLA

ATOM 1813 O GLY 294 38.589 9.729 6.629 1.00 41.23 MOLA

ATOM 1814 N LΞU 295 39.734 7.795 6.356 1.00 40.70 MOLA

ATOM 1815 CA LΞU 295 39.394 7.211 7.657 1.00 36.87 MOLA

ATOM 1816 CB LΞU 295 40.229 5.944 7.914 1.00 34.79 MOLA

ATOM 1817 CG LΞU 295 39.972 5.132 9.193 1.00 30.88 MOLA

ATOM 1818 CDl LΞU 295 38.515 4.645 9.220 1.00 25.90 MOLA

ATOM 1819 CD2 LΞU 295 40.950 3.958 9.249 1.00 25.87 MOLA

ATOM 1820 C LΞU 295 39.642 8.187 8.786 1.00 36.26 MOLA

ATOM 1821 O LΞU 295 38.793 8.367 9.656 1.00 36.92 MOLA

ATOM 1822 N LΞU 296 40.812 8.816 8.771 1.00 34.76 MOLA

ATOM 1823 CA LΞU 296 41.168 9.770 9.800 1.00 35.19 MOLA

ATOM 1824 CB LΞU 296 42.573 10.308 9.531 1.00 34.31 MOLA

ATOM 1825 CG LΞU 296 43.467 10.645 10.731 1.00 37.98 MOLA

ATOM 1826 CDl LΞU 296 44.551 11.601 10.285 1.00 34.47 MOLA

ATOM 1827 CD2 LEU 296 42.665 11.277 11.848 1.00 39.48 MOLA

ATOM 1828 C LΞU 296 40.125 10.902 9.813 1.00 37.94 MOLA

ATOM 1829 O LΞU 296 39.756 11.391 10.875 1.00 36.68 MOLA

ATOM 1830 N GLU 297 39.644 11.311 8.638 1.00 40.00 MOLA

ATOM 1831 CA GLU 297 38.624 12.359 8.558 1.00 41.50 MOLA

ATOM 1832 CB GLU 297 38.436 12.823 7.118 1.00 45.41 MOLA

ATOM 1833 CG GLU 297 39.114 14.143 6.845 1.00 55.67 MOLA

ATOM 1834 CD GLU 297 38.694 14.764 5.515 1.00 60.47 MOLA

ATOM 1835 OΞl GLU 297 39.157 15.904 5.230 1.00 60.81 MOLA

ATOM 1836 OΞ2 GLU 297 37.910 14.112 4.773 1.00 60.29 MOLA

ATOM 1837 C GLU 297 37.284 11.894 9.114 1.00 40.02 MOLA

ATOM 1838 O GLU 297 36.689 12.547 9.963 1.00 39.64 MOLA

ATOM 1839 N GLU 298 36.814 10.750 8.644 1.00 36.54 MOLA

ATOM 1840 CA GLU 298 35.555 10.214 9.123 1.00 34.53 MOLA

ATOM 1841 CB GLU 298 35.266 8.912 8.399 1.00 35.57 MOLA

ATOM 1842 CG GLU 298 33.914 8.352 8.696 1.00 46.20 MOLA

ATOM 1843 CD GLU 298 32.806 9.348 8.417 1.00 52.25 MOLA

ATOM 1844 OΞl GLU 298 32.760 9.893 7.287 1.00 56.39 MOLA

ATOM 1845 OΞ2 GLU 298 31.988 9.587 9.331 1.00 56.25 MOLA

ATOM 1846 C GLU 298 35.548 10.011 10.653 1.00 32.88 MOLA

ATOM 1847 O GLU 298 34.531 10.234 11.318 1.00 30.78 MOLA

ATOM 1848 N ILΞ 299 36.691 9.590 11.200 1.00 30.54 MOLA

ATOM 1849 CA ILΞ 299 36.871 9.365 12.636 1.00 27.14 MOLA

ATOM 1850 CB ILΞ 299 38.290 8.821 12.977 1.00 21.37 MOLA

ATOM 1851 CG2 ILΞ 299 38.547 8.860 14.480 1.00 12.92 MOLA

ATOM 1852 CGI ILΞ 299 38.449 7.386 12.479 1.00 18.72 MOLA ATOM 1853 CDl ILΞ 299 39.,785 6.,792 12.,846 1.00 17.,72 MOLA

ATOM 1854 C ILΞ 299 36. ,711 10. .681 13. ,380 1.00 31. ,71 MOLA

ATOM 1855 O ILΞ 299 36. ,089 10. ,736 14. .434 1.00 33. ,14 MOLA

ATOM 1856 N GLN 300 37. ,303 11. ,739 12. .839 1.00 34. ,97 MOLA

ATOM 1857 CA GLN 300 37. .218 13. .054 13. .464 1.00 38. ,06 MOLA

ATOM 1858 CB GLN 300 38. ,256 14. .010 12. ,865 1.00 40. ,21 MOLA

ATOM 1859 CG GLN 300 39. .702 13. ,671 13. .194 1.00 45. ,79 MOLA

ATOM 1860 CD GLN 300 40. .691 14. ,254 12. .194 1.00 50. ,31 MOLA

ATOM 1861 OΞl GLN 300 41. .905 14. ,143 12. .375 1.00 53. ,26 MOLA

ATOM 1862 NΞ2 GLN 300 40. .175 14. .872 11. .127 1.00 52. .71 MOLA

ATOM 1863 C GLN 300 35. .832 13. .627 13. .256 1.00 37. .99 MOLA

ATOM 1864 O GLN 300 35. ,241 14. ,195 14. .168 1.00 40. ,65 MOLA

ATOM 1865 N LΞU 301 35. ,312 13. ,474 12. .052 1.00 36. ,13 MOLA

ATOM 1866 CA LEU 301 34. .006 14. .001 11. .740 1.00 36. ,65 MOLA

ATOM 1867 CB LΞU 301 33. .638 13. .621 10. .294 1.00 38. .24 MOLA

ATOM 1868 CG LΞU 301 32. .433 14. .272 9. .612 1.00 42. ,23 MOLA

ATOM 1869 CDl LΞU 301 31. .168 13. .460 9. .894 1.00 45. ,41 MOLA

ATOM 1870 CD2 LΞU 301 32. .302 15. .716 10. .078 1.00 42. ,76 MOLA

ATOM 1871 C LΞU 301 32. .971 13. .480 12. .740 1.00 35. .00 MOLA

ATOM 1872 O LΞU 301 32. .209 14. .256 13. .324 1.00 33. .69 MOLA

ATOM 1873 N ILΞ 302 32. .968 12. .172 12. .969 1.00 33. .33 MOLA

ATOM 1874 CA ILΞ 302 32. .013 11. .575 13. .890 1.00 32. .75 MOLA

ATOM 1875 CB ILΞ 302 31. .990 10, .041 13, .710 1.00 32. .83 MOLA

ATOM 1876 CG2 ILΞ 302 33. .287 9. .432 14, .172 1.00 34. .43 MOLA

ATOM 1877 CGI ILΞ 302 30. .816 9, .439 14, .462 1.00 30. .31 MOLA

ATOM 1878 CDl ILΞ 302 30. .656 7, .988 14, .136 1.00 35. .44 MOLA

ATOM 1879 C ILΞ 302 32. .274 11, .960 15. .351 1.00 30. .84 MOLA

ATOM 1880 O ILΞ 302 31, .344 12, .108 16, .145 1.00 31. .01 MOLA

ATOM 1881 N LΞU 303 33, .529 12, .147 15, .725 1.00 29, .14 MOLA

ATOM 1882 CA LΞU 303 33, .799 12, .548 17, .097 1.00 29, .99 MOLA

ATOM 1883 CB LΞU 303 35, .292 12, .490 17, .411 1.00 25, .64 MOLA

ATOM 1884 CG LΞU 303 35, .892 11, .090 17, .425 1.00 25, .85 MOLA

ATOM 1885 CDl LΞU 303 37, .392 11, .169^* 17, .371 1.00 18, .14 MOLA

ATOM 188 CD2 LEU 303 35, .398 10, .348 18, .648 1.00 23, .51 MOLA

ATOM 1887 C LΞU 303 33, .305 13, .973 17, .314 1.00 31, .89 MOLA

ATOM 1888 O LΞU 303 32, .794 14, .290 18, .378 1.00 31, .97 MOLA

ATOM 1889 N GLU 304 33, .450 14, .844 16, .322 1.00 35. .33 MOLA

ATOM 1890 CA GLU 304 32 .999 16, .221 16, .519 1.00 39, .09 MOLA

ATOM 1891 CB GLU 304 33 .595 17, .169 15 .453 1.00 41, .19 MOLA

ATOM 1892 CG GLU 304 35 .085 17 .515 15 .687 1.00 46, .63 MOLA

ATOM 1893 CD GLU 304 35 .351 18 .234 17 .030 1.00 51, .69 MOLA

ATOM 1894 OΞl GLU 304 34 .892 19 .403 17 .200 1.00 54, .21 MOLA

ATOM 1895 OΞ2 GLU 304 36 .021 17 .624 17 .905 1.00 49, .29 MOLA

ATOM 1896 C GLU 304 31 .486 16 .306 16 .519 1.00 38, .99 MOLA

ATOM 1897 O GLU 304 30 .900 17 .138 17 .226 1.00 39, .08 MOLA

ATOM 1898 N GLU 305 30 .857 15 .434 15 .734 1.00 37, .72 MOLA

ATOM 1899 CA GLU 305 29 .405 15 .383 15 .662 1.00 36, .83 MOLA

ATOM 1900 CB GLU 305 28 .961 14 .514 14 .481 1.00 39, .79 MOLA

ATOM 1901 CG GLU 305 28 .908 15 .285 13 .160 1.00 47, .12 MOLA

ATOM 1902 CD GLU 305 28 .765 14 .404 11 .933 1.00 48, .73 MOLA

ATOM 1903 OΞl GLU 305 28 .434 14 .940 10 .855 1.00 51 .86 MOLA

ATOM 1904 OΞ2 GLU 305 28 .999 13 .184 12 .038 1.00 54, .32 MOLA

ATOM 1905 C GLU 305 28 .837 14 .859 16 .978 1.00 34, .02 MOLA

ATOM 1906 O GLU 305 27 .706 15 .173 17 .347 1.00 34, .08 MOLA

ATOM 1907 N LΞU 306 29 .625 14 .073 17 .704 1.00 30, .07 MOLA ATOM 1908 CA LΞU 306 29.152 13.554 18.982 1.00 27 .76 MOLA

ATOM 1909 CB LΞU 306 30.053 12.418 19.472 1.00 23 .34 MOLA

ATOM 1910 CG LΞU 306 29.852 11.946 20.914 1.00 20 .43 MOLA

ATOM 1911 CDl LΞU 306 28.434 11.483 21.178 1.00 16 .50 MOLA

ATOM 1912 CD2 LΞU 306 30.816 10.834 21.157 1.00 21.41 MOLA

ATOM 1913 C LΞU 306 29.149 14.701 19.984 1.00 26 . 83 MOLA

ATOM 1914 O LΞU 306 28.169 14.893 20.719 1.00 24 . 52 MOLA

ATOM 1'915 N LYS 307 30.250 15.452 19.997 1.00 27 . 06 MOLA

ATOM 1916 CA LYS 307 30.423 16.612 20.866 1.00 31.72 MOLA

ATOM 1917 CB LYS 307 31.786 17.293 20.602 1.00 34 .58 MOLA

ATOM 1918 CG LYS 307 33.025 16.554 21.158 1.00 34 . 90 MOLA

ATOM 1919 CD LYS 307 34.317 17.051 20.515 1.00 35.41 MOLA

ATOM 1920 CΞ LYS 307 35.499 16.189 20.947 1.00 40 .21 MOLA

ATOM 1921 NZ LYS 307 36.691 16.267 20.030 1.00 41.51 MOLA

ATOM 1922 C LYS 307 29.309 17.615 20.593 1.00 30 . 94 MOLA

ATOM 1923 O LYS 307 28.856 18.319 21.501 00 30 .70 MOLA

ATOM 1924 N LΞU 308 28.868 17.695 19.346 00 29 . 85 MOLA

ATOM 1925 CA LΞU 308 27.794 18.614 19.045 00 31.17 MOLA

ATOM 1926 CB LΞU 308 27.587 18.684 17.541 00 32 .73 MOLA

ATOM 1927 CG LΞU 308 26.754 19.848 17.022 00 37 .98 MOLA

ATOM 1928 CDl LΞU 308 27.118 20.069 15.556 00 41.46 MOLA

ATOM 1929 CD2 LΞU 308 25.276 19.566 17.201 00 38.26 MOLA

ATOM 1930 C LΞU 308 26.514 18.165 19.766 1.00 30 .50 MOLA

ATOM 1931 O LΞU 308 25.935 18.934 20.536 1.00 29 .57 MOLA

ATOM 1932 N ILΞ 309 26.095 16.919 19.538 1.00 27 .38 MOLA

ATOM 1933 CA ILΞ 309 24.901 16.366 20.186 1.00 23 . 93 MOLA

ATOM 1934 CB ILΞ 309 24.750 14.858 19.883 1.00 22 . 92 MOLA

ATOM 1935 CG2 ILΞ 309 23.579 14.280 20.671 1.00 19 .39 MOLA

ATOM 1936 CGI ILΞ 309 24.581 14.656 18.374 1.00 21.73 MOLA

ATOM 1937 CDl ILΞ 309 24.720 13.211 17.899 1.00 19 . 95 MOLA

ATOM 1938 C ILΞ 309 24.967 16.536 21.708 1.00 24 .41 MOLA

ATOM 1939 O ILΞ 309 23.956 16.777 22.367 1.00 26 . 38 MOLA

ATOM 1940 N MΞT 310 26.161 16.398 22.273 1. 00 23 .90 MOLA

ATOM 1941 CA MΞT 310 26.317 1 • 557 23.714 1.00 24.31 MOLA

ATOM 1942 CB MΞT 310 27.681 16.057 24.146 1.00 19 .77 MOLA

ATOM 1943 CG MΞT 310 27.765 14.554 24.177 1.00 20 .12 MOLA

ATOM 1944 SD MΞT 310 29.478 13.992 24.274 1.00 20 .49 MOLA

ATOM 1945 CΞ MΞT 310 29.790 14.092 26.019 1.00 17 . 89 MOLA

ATOM 1946 C MΞT 310 26.122 18.012 24.095 1.00 26 .34 MOLA

ATOM 1947 O MΞT 310 25.509 18.316 25.123 1.00 25. 68 MOLA

ATOM 1948 N THR 311 26.622 18.903 23.245 1.00 27 .95 MOLA

ATOM 1949 CA THR 311 26.473 20.329 23.486 1.00 30 .21 MOLA

ATOM 1950 CB THR 311 27.153 21.192 22.376 1.00 29 .56 MOLA

ATOM 1951 OGl THR 311 28.507 20.792 22.208 1.00 30 .38 MOLA

ATOM 1952 CG2 THR 311 27.131 22.668 22.777 1.00 31.93 MOLA

ATOM 1953 C THR 311 24.976 20.663 23.503 1. 00 29 .00 MOLA

ATOM 1954 O THR 311 24.501 21.323 24.422 1.00 29 .25 MOLA

ATOM 1955 N VAL 312 24.242 20.198 22.494 1.00 25.46 MOLA

ATOM 1956 CA VAL 312 22.814 20.463 22.421 1.00 23 .84 MOLA

ATOM 1957 CB VAL 312 22.239 19.921 21.121 1.00 23 .26 MOLA

ATOM 1958 CGI VAL 312 20.732 20.015 21.136 1.00 25 .02 MOLA

ATOM 1959 CG2 VAL 312 22.802 20.722 19.960 1.00 23 .20 MOLA

ATOM 1960 C VAL 312 22.060 19.874 23.604 1.00 25 . 61 MOLA

ATOM 1961 O VAL 312 20.974 20.347 23.960 1.00 27 .12 MOLA

ATOM 1962 N LΞU 313 22.659 18.857 24.221 1.00 25 . 80 MOLA ATOM 1963 CA LΞU 313 22.065 18.182 25.375 1.00 25.56 MOLA

ATOM 1964 CB LΞU 313 22.407 16.690 25.356 1.00 19.20 MOLA

ATOM 1965 CG LΞU 313 21.788 15.795 24.299 1.00 15.13 MOLA

ATOM 1966 CDl LΞU 313 22.437 14.416 24.381 1.00 8.39 MOLA

ATOM 1967 CD2 LΞU 313 20.287 15.740 24.512 1.00 7.56 MOLA

ATOM 1968 C LΞU 313 22.524 18.752 26.711 1.00 25.88 MOLA

ATOM 1969 O LΞU 313 21.943 18.447 27.756 1.00 28.39 MOLA

ATOM 1970 N GLY 314 23.574 19.555 26.699 1.00 23.68 MOLA

ATOM 1971 CA GLY 314 24.062 20.089 27.951 1.00 26.15 MOLA

ATOM 1972 C GLY 314 24.922 19.065 28.683 1.00 26.37 MOLA

ATOM 1973 O GLY 314 25.164 19.187 29.881 1.00 25.02 MOLA

ATOM 1974 N ALA 315 25.383 18.040 27.975 1.00 28.31 MOLA

ATOM 1975 CA ALA 315 26.228 17.028 28.599 1.00 29.81 MOLA

ATOM 1976 CB ALA 315 25.934 15.665 28.000 1.00 30.61 MOLA

ATOM 1977 C ALA 315 27.696 17.400 28.378 1.00 30.60 MOLA

ATOM 1978 O ALA 315 28.199 17.301 27.267 1.00 27.35 MOLA

ATOM 1979 N ARG 316 28.377 17.831 29.437 1.00 34.47 MOLA

ATOM 1980 CA ARG 316 29.777 18.234 29.311 1.00 36.71 MOLA

ATOM 1981 CB ARG 316 30.186 19.176 30.453 1.00 38.70 MOLA

ATOM 1982 CG ARG 316 31.530 19.867 30.167 1.00 45.40 MOLA

ATOM 1983 CD ARG 316 32.034 20.775 31.293 1.00 51.77 MOLA

ATOM 1984 NΞ ARG 316 32.785 20.025 32.297 1.00 55.75 MOLA

ATOM 1985 CZ ARG 316 32.236 19.357 33.308 1.00 60.93 MOLA

ATOM 1986 NHl ARG 316 30.910 19.350 33.466 1.00 62.45 MOLA

ATOM 1987 NH2 ARG 316 33.013 18.672 34.148 1.00 60.95 MOLA

ATOM 1988 C ARG 316 30.758 17.075 29.267 1.00 35.66 MOLA

ATOM 1989 O ARG 316 31.798 17.157 28.630 1.00 37.60 MOLA

ATOM 1990 N THR 317 30.404 15.994 29.938 1.00 31.60 MOLA

ATOM 1991 CA THR 317 31.265 14.842 30.032 1.00 28.13 MOLA

ATOM 1992 CB THR 317 31.723 14.709 31.488 1.00 29.09 MOLA

ATOM 1993 OGl THR 317 30.585 14.475 32.337 1.00 23.38 MOLA

ATOM 1994 CG2 THR 317 32.400 15.987 31.899 1.00 21.97 MOLA

ATOM 1995 C THR 317 30.558 13.563 29.582 1.00 30.19 MOLA

ATOM 1996 O THR 317 29.359 13.567 29.319 1.00 32_*80 MOLA

ATOM 1997 N ILE 318 31.303 12.465 29.492 1.00 28.34 MOLA

ATOM 1998 CA ILΞ 318 30.699 11.198 29.102 1.00 23.28 MOLA

ATOM 1999 CB ILΞ 318 31.767 10.117 28.736 1.00 22.21 MOLA

ATOM 2000 CG2 ILΞ 318 31.139 8.749 28.646 1.00 14.42 MOLA

ATOM 2001 CGI ILΞ 318 32.458 10.480 27.411 1.00 21.44 MOLA

ATOM 2002 CDl ILΞ 318 31.531 10.540 26.196 1.00 19.29 MOLA

ATOM 2003 C ILΞ 318 29.852 10.726 30.273 1.00 22.77 MOLA

ATOM 2004 O ILΞ 318 28.825 10.083 30.075 1.00 26.94 MOLA

ATOM 2005 N ALA 319 30.251 11.058 31.499 1.00 22.56 MOLA

ATOM 2006 CA ALA 319 29.473 10.628 32.664 1.00 22.44 MOLA

ATOM 2007 CB ALA 319 30.252 10.838 33.948 1.00 15.95 MOLA

ATOM 2008 C ALA 319 28.133 11.363 32.731 1.00 24.10 MOLA

ATOM 2009 O ALA 319 27.174 10.868 33.330 1.00 25.56 MOLA

ATOM 2010 N ASP 320 28.070 12.545 32.120 1.00 24.29 MOLA

ATOM 2011 CA ASP 320 26.843 13.334 32.076 1.00 25.15 MOLA

ATOM 2012 CB ASP 320 27.124 14.785 31.692 1.00 27.33 MOLA

ATOM 2013 CG ASP 320 27.687 15.607 32.835 1.00 32.55 MOLA

ATOM 2014 OD1 ASP 320 27.857 16.829 32.616 1.00 38.36 MOLA

ATOM 2015 OD2 ASP 320 27.952 15.056 33.933 1.00 34.46 MOLA

ATOM 2016 C ASP 320 25.928 12.755 31.025 1.00 24.54 MOLA

ATOM 2017 O ASP 320 24.739 12.567 31.263 1.00 28.17 MOLA ATOM 2018 N LΞU 321 26..471 12..483 29..843 1.00 23,.54 MOLA

ATOM 2019 CA LΞU 321 25. .656 11. .912 28. .787 1.00 21, .87 MOLA

ATOM 2020 CB LΞU 321 26. .488 11, .674 27, .526 1.00 17, .15 MOLA

ATOM 2021 CG LΞU 321 25. .771 11, .039 26, .320 1.00 19, .64 MOLA

ATOM 2022 CDl LΞU 321 24, .560 11, .868 25, .898 1.00 19, .60 MOLA

ATOM 2023 CD2 LΞU 321 26. .755 10, .906 25, .171 1.00 16, .98 MOLA

ATOM 2024 C LEU 321 25, .003 10, .613 29, .269 1.00 23, .09 MOLA

ATOM 2025 O LEU 321 23, .953 10, .222 28, .761 1.00 22, .86 MOLA

ATOM 2026 N GLN 322 25. .606 9. .961 30, .265 1.00 23, .32 MOLA

ATOM 2027 CA GLN 322 25. .059 8. .710 30, .797 1.00 24, .57 MOLA

ATOM 2028 CB GLN 322 26. .161 7, .894 31, .462 1.00 23, .77 MOLA

ATOM 2029 CG GLN 322 27. .193 7. .367 30. ,495 1.00 25, .37 MOLA

ATOM 2030 CD GLN 322 28. .320 6. .650 31. .195 1.00 27, .37 MOLA

ATOM 2031 OE1 GLN 322 28. .701 7, .030 32. .296 1.00 33. ,12 MOLA

ATOM 2032 NΞ2 GLN 322 28. .866 5, .618 30. .561 1.00 23. ,32 MOLA

ATOM 2033 C GLN 322 23. .879 8. .903 31. .757 1.00 25. ,14 MOLA

ATOM 2034 O GLN 322 23. .218 7, .931 32. .155 1.00 24. ,81 MOLA

ATOM 2035 N LYS 323 23. .603 10, .164 32. .097 1.00 23, .83 MOLA

ATOM 2036 CA LYS 323 22. .496 10, .533 32. .979 1.00 21, .90 MOLA

ATOM 2037 CB LYS 323 23. .045 11, .209 34. .231 1.00 23, .01 MOLA

ATOM 2038 CG LYS 323 24. .086 10, .378 34. .897 1.00 36, .74 MOLA

ATOM 2039 CD LYS 323 24. .831 11, .134 35. .979 1.00 44, .08 MOLA

ATOM 2040 CΞ LYS 323 26. .149 10, .416 36, .313 1.00 46, .53 MOLA

ATOM 2041 NZ LYS 323 26. .959 11, .235 37, .248 1.00 46, .95 MOLA

ATOM 2042 C LYS 323 21. .537 11, .475 32. .231 1.00 19, .53 MOLA

ATOM 2043 O LYS 323 20. .679 12, .134 32. .833 1.00 16, .40 MOLA

ATOM 2044 N ALA 324 21. .686 11, .541 30, .910 1.00 13, .77 MOLA

ATOM 2045 CA ALA 324 20. .828 12, .409 30, .114 1.00 16, .91 MOLA

ATOM 2046 CB ALA 324 21, .384 12, .550 28. .718 1.00 10, .36 MOLA

ATOM 2047 C ALA 324 19, .378 11, .925 30. .049 1.00 19, .03 MOLA

ATOM 2048 O ALA 324 19, .112 10. .768 29, .680 1.00 22, .00 MOLA

ATOM 2049 N PRO 325 18, .416 12, .789 30, .423 1.00 18. .60 MOLA

ATOM 2050 CD PRO 325 18, .577 14, .015 31, .222 1.00 14. .18 MOLA

ATOM 2051 CA PRO 325 17, .006 12, .405 30, • 3/8 1.00 18, .07 MOLA

ATOM 2052 CB PRO 325 16. .315 13, .672 30, .835 1.00 16, .77 MOLA

ATOM 2053 CG PRO 325 17, .247 14, .139 31. .907 1.00 13, .84 MOLA

ATOM 2054 C PRO 325 16, .568 11, .960 28, .980 1.00 16, .29 MOLA

ATOM 2055 O PRO 325 16, .802 12, .657 27. .998 1.00 16, .05 MOLA

ATOM 2056 N LEU 326 15, .936 10, .795 28, .901 1.00 15, .36 MOLA

ATOM 2057 CA LΞU 326 15, .476 10, .275 27, .623 1.00 15, .25 MOLA

ATOM 2058 CB LΞU 326 16, .562 9, .380 27, .003 1.00 13, .81 MOLA

ATOM 2059 CG LΞU 326 17, .067 8, .160 27, .790 1.00 15, .79 MOLA

ATOM 2060 CDl LΞU 326 16, .122 6, .997 27, .555 1.00 13, .05 MOLA

ATOM 2061 CD2 LΞU 326 18, .502 7, .777 27, .359 1.00 14, .25 MOLA

ATOM 2062 C LEU 326 14, .167 9 .500 27, .805 1.00 14, .80 MOLA

ATOM 2063 O LEU 326 13, .785 9 .166 28, .919 1.00 14, .28 MOLA

ATOM 2064 N VAL 327 13, .465 9 .233 26, .711 1.00 15, .35 MOLA

ATOM 2065 CA VAL 327 12, .214 8 .485 26, .773 1.00 14, .32 MOLA

ATOM 2066 CB VAL 327 10, .997 9 .329 26, .307 1.00 14, .62 MOLA

ATOM 2067 CGI VAL 327 9 .778 8 .440 26, .195 1.00 10, .33 MOLA

ATOM 2068 CG2 VAL 327 10, .728 10 .468 27, .307 1.00 7, .00 MOLA

ATOM 2069 C VAL 327 12, .317 7, .245 25, .890 1.00 15, .75 MOLA

ATOM 2070 O VAL 327 12, .713 7, .332 24, .725 1.00 15, .61 MOLA

ATOM 2071 N ILE 328 11, .964 6, .101 26, .477 1.00 15, .76 MOLA

ATOM 2072 CA ILΞ 328 12, .005 4, .799 25, .815 1.00 15. .52 MOLA ATOM 2073 CB ILΞ 328 12.521 3.710 26.799 1.00 15.74 MOLA

ATOM 2074 CG2 ILΞ 328 12.725 2.377 26.068 1.00 14.53 MOLA

ATOM 2075 CGI ILΞ 328 13.834 4.174 27.437 1.00 14.66 MOLA

ATOM 2076 CDl ILΞ 328 14.344 3.260 28.526 1.00 13.55 MOLA

ATOM 2077 C ILΞ 328 10.592 4.436 25.377 1.00 16.80 MOLA

ATOM 2078 O ILΞ 328 9.654 4.501 26.170 1.00 15.55 MOLA

ATOM 2079 N LYS 329 10.439 4.047 24.120 1.00 18.69 MOLA

ATOM 2080 CA LYS 329 9.120 3.708 23.628 1.00 20.19 MOLA

ATOM 2081 CB LYS 329 8.619 4.817 22.703 1.00 22.17 MOLA

ATOM 2082 CG LYS 329 9.427 5.022 21.405 1.00 29.22 MOLA

ATOM 2083 CD LYS 329 8.564 5.693 20.315 1.00 36.82 MOLA

ATOM 2084 CΞ LYS 329 9.356 6.258 19.128 1.00 43.76 MOLA

ATOM 2085 NZ LYS 329 8.459 7.093 18.231 1.00 48.30 MOLA

ATOM 2086 C LYS 329 9.119 2.376 22.893 1.00 19.83 MOLA

ATOM 2087 O LYS 329 10.085 1.619 22.961 1.00 22.25 MOLA

ATOM 2088 N GLY 330 8.019 2.103 22.202 1.00 17.81 MOLA

ATOM 2089 CA GLY 330 7.889 0.895 21.417 1.00 15.52 MOLA

ATOM 2090 C GLY 330 8.315 -0.434 21.999 1.00 16.17 MOLA

ATOM 2091 O GLY 330 8.244 -0.674 23.208 1.00 16.25 MOLA

ATOM 2092 N GLU 331 8.779 -1.321 21.127 1.00 15.26 MOLA

ATOM 2093 CA GLU 331 9.186 -2.635 21.583 1.00 17.65 MOLA

ATOM 2094 CB GLU 331 9.753 -3.432 20.421 1.00 19.95 MOLA

ATOM 2095 CG GLU 331 8.697 -3.737 19.404 1.00 31.93 MOLA

ATOM 2096 CD GLU 331 9.057 -4.920 18.548 1.00 42.94 MOLA

ATOM 2097 OΞl GLU 331 8.237 -5.315 17.682 1.00 48.53 MOLA

ATOM 2098 OΞ2 GLU 331 10.178 -5.447 18.759 1.00 45.75 MOLA

ATOM 2099 C GLU 331 10.127 -2.647 22.785 1.00 16.26 MOLA

ATOM 2100 O GLU 331 9.885 -3.385 23.755 1.00 13.53 MOLA

ATOM 2101 N THR 332 11.167 -1.818 22.735 1.00 13.66 MOLA

ATOM 2102 CA THR 332 12.139 -1.724 23.811 1.00 14.44 MOLA

ATOM 2103 CB THR 332 13.078 -0.563 23.525 1.00 14.70 MOLA

ATOM 2104 OGl THR 332 13.491 -0.656 22.172 1.00 15.94 MOLA

ATOM 2105 CG2 THR 332 14.321 -0.620 24.418 1.00 11.41 MOLA

ATOM 2106 C THR 332 11.430 -1.522 &J _• 1. U 1.00 16.48 MOLA

ATOM 2107 O THR 332 11.664 -2.263 26.121 1.00 13.28 MOLA

ATOM 2108 N HIS 333 10.553 -0.519 25.168 1.00 17.59 MOLA

ATOM 2109 CA HIS 333 9.774 -0.179 26.351 1.00 18.42 MOLA

ATOM 2110 CB HIS 333 8.767 0.929 26.037 1.00 17.56 MOLA

ATOM 2111 CG HIS 333 7.935 1.316 27.218 1.00 18.18 MOLA

ATOM 2112 CD2 HIS 333 8.169 2.200 28.219 1.00 19.17 MOLA

ATOM 2113 NDl HIS 333 6.743 0.701 27.523 1.00 16.38 MOLA

ATOM 2114 CΞl HIS 333 6.278 1.190 28.660 1.00 17.92 MOLA

ATOM 2115 NΞ2 HIS 333 7.124 2.101 29.102 1.00 17.51 MOLA

ATOM 2116 C HIS 333 9.014 -1.373 26.895 1.00 19.37 MOLA

ATOM 2117 O HIS 333 9.023 -1.639 28.091 1.00 20.12 MOLA

ATOM 2118 N HIS 334 8.338 -2.089 26.012 1.00 21.24 MOLA

ATOM 2119 CA HIS 334 7.582 -3.247 26.453 1.00 24.82 MOLA

ATOM 2120 CB HIS 334 6.772 -3.811 25.289 1.00 23.70 MOLA

ATOM 2121 CG HIS 334 5.779 -4.848 25.703 1.00 25.22 MOLA

ATOM 2122 CD2 HIS 334 4.606 -4.745 26.372 1.00 25.00 MOLA

ATOM 2123 NDl HIS 334 5.974 -6.191 25.470 1.00 25.89 MOLA

ATOM 2124 CΞl HIS 334 4.964 -6.873 25.976 1.00 26.96 MOLA

ATOM 2125 NΞ2 HIS 334 4.120 -6.020 26.530 1.00 27.59 MOLA

ATOM 2126 C HIS 334 8.503 -4.322 27.026 1.00 26.51 MOLA

ATOM 2127 O HIS 334 8.296 -4.814 28.134 1.00 27.65 MOLA ATOM 2128 N TRP 335 9.532 -4.672 26.264 1.00 27.47 MOLA

ATOM 2129 CA TRP 335 10.480 -5.678 26.709 1.00 25.83 MOLA

ATOM 2130 CB TRP 335 11.663 -5.745 25.743 1.00 25.44 MOLA

ATOM 2131 CG TRP 335 12.705 -6.736 26.148 1.00 25.34 MOLA

ATOM 2132 CD2 TRP 335 12.816 -8.088 25.696 1.00 23.93 MOLA

ATOM 2133 CΞ2 TRP 335 13.913 -8.663 26.369 1.00 23.62 MOLA

ATOM 2134 CΞ3 TRP 335 12.092 -8.869 24.786 1.00 22.88 MOLA

ATOM 2135 CDl TRP 335 13.714 -6.545 27.053 1.00 26.35 MOLA

ATOM 2136 NΞ1 TRP 335 14.446 -7.700 27.188 1.00 24.96 MOLA

ATOM 2137 CZ2 TRP 335 14.304 -9.987 26.162 1.00 23.87 MOLA

ATOM 2138 CZ3 TRP 335 12.483 -10.184 24.575 1.00 21.33 MOLA

ATOM 2139 CH2 TRP 335 13.579 -10.729 25.263 1.00 25.22 MOLA

ATOM 2140 C TRP 335 10.986 -5.371 28.108 1.00 24.14 MOLA

ATOM 2141 O TRP 335 10.917 -6.211 28.997 1.00 25.31 MOLA

ATOM 2142 N LΞU 336 11.494 -4.161 28.292 1.00 21.42 MOLA

ATOM 2143 CA LΞU 336 12.036 -3.760 29.578 1.00 20.85 MOLA

ATOM 2144 CB LΞU 336 12.661 -2.358 29.480 1.00 21.31 MOLA

ATOM 2145 CG LΞU 336 13.977 -2.266 28.701 1.00 18.01 MOLA

ATOM 2146 CDl LΞU 336 14.396 -0.817 28.535 1.00 15.63 MOLA

ATOM 2147 CD2 LΞU 336 15.037 -3.073 29.432 1.00 14.24 MOLA

ATOM 2148 C LΞU 336 10.991 -3.771 30.663 1.00 18.66 MOLA

ATOM 2149 O LΞU 336 11.267 -4.110 31.810 1.00 17.15 MOLA

ATOM 2150 N THR 337 9.778 -3.400 30.297 1.00 18.79 MOLA

ATOM 2151 CA THR 337 8.713 -3.363 31.272 1.00 20.11 MOLA

ATOM 2152 CB THR 337 7.474 -2.709 30.685 1.00 20.56 MOLA

ATOM 2153 OGl THR 337 7.771 -1.339 30.367 1.00 19.07 MOLA

ATOM 2154 CG2 THR 337 6.335 -2.767 31.677 1.00 14.50 MOLA

ATOM 2155 C THR 337 8.380 -4.757 31.793 1.00 21.22 MOLA

ATOM 2156 O THR 337 8.277 -4.954 33.005 1.00 23.59 MOLA

ATOM 2157 N GLU 338 8.226 -5.714 30.877 1.00 21.58 MOLA

ATOM 2158 CA GLU 338 7.923 -7.105 31.217 1.00 23.68 MOLA

ATOM 2159 CB GLU 338 7.622 -7.917 29.959 1.00 22.67 MOLA

ATOM 2160 CG GLU 338 6.316 -7.604 29.284 1.00 26.01 MOLA

ATOM 2161 CD GLU 338 5.139 -7.747 J U _• t& iι4 1.00 . MOLA

ATOM 2162 OΞl GLU 338 4.588 -6.718 30.654 1.00 28.43 MOLA

ATOM 2163 OΞ2 GLU 338 4.770 -8.892 30.513 1.00 27.62 MOLA

ATOM 2164 C GLU 338 9.061 -7.795 31.952 1.00 25.61 MOLA

ATOM 2165 O GLU 338 8.830 -8.736 32.722 1.00 28.00 MOLA

ATOM 2166 N ARG 339 10.283 -7.337 31.681 1.00 23.53 MOLA

ATOM 2167 CA ARG 339 11.476 -7.896 32.296 1.00 23.04 MOLA

ATOM 2168 CB ARG 339 12.689 -7.681 31.411 1.00 21.11 MOLA

ATOM 2169 CG ARG 339 12.676 -8.494 30.150 1.00 25.18 MOLA

ATOM 2170 CD ARG 339 13.120 -9.903 30.466 1.00 26.60 MOLA

ATOM 2171 NΞ ARG 339 14.541 -9.924 30.786 1.00 29.28 MOLA

ATOM 2172 CZ ARG 339 15.220 -11.020 31.094 1.00 27.65 MOLA

ATOM 2173 NHl ARG 339 16.508 -10.943 31.367 1.00 28.39 MOLA

ATOM 2174 NH2 ARG 339 14.613 -12.194 31.131 1.00 31.78 MOLA

ATOM 2175 C ARG 339 11.745 -7.246 33.638 1.00 25.78 MOLA

ATOM 2176 O ARG 339 12.742 -7.556 34.297 1.00 28.28 MOLA

ATOM 2177 N GLY 340 10.883 -6.315 34.031 1.00 23.15 MOLA

ATOM 2178 CA GLY 340 11.058 -5.660 35.312 1.00 21.29 MOLA

ATOM 2179 C GLY 340 12.110 -4.568 35.390 1.00 21.28 MOLA

ATOM 2180 O GLY 340 12.577 -4.208 36.474 1.00 20.55 MOLA

ATOM 2181 N VAL 341 12.485 -4.030 34.240 1.00 20.21 MOLA

ATOM 2182 CA VAL 341 13.463 -2.971 34.226 1.00 19.21 MOLA ATOM 2183 CB VAL 341 14.346 -3.077 33.015 1.00 15.36 MOLA

ATOM 2184 CGI VAL 341 15.322 -1.912 32.963 1.00 15.92 MOLA

ATOM 2185 CG2 VAL 341 15.070 -4.362 33.088 1.00 16.03 MOLA

ATOM 2186 C VAL 341 12.714 -1.660 34.210 1.00 21.12 MOLA

ATOM 2187 O VAL 341 11.785 -1.462 33.430 1.00 21.99 MOLA

ATOM 2188 N ASN 342 13.105 -0.772 35.104 1.00 22.62 MOLA

ATOM 2189 CA ASN 342 12.457 0.515 35.198 1.00 22.77 MOLA

ATOM 2190 CB ASN 342 12.951 1.210 36.456 1.00 19.85 MOLA

ATOM 2191 CG ASN 342 12.148 2.418 36.795 1.00 22.28 MOLA

ATOM 2192 OD1 ASN 342 11.932 2.697 37.953 1.00 30.34 MOLA

ATOM 2193 ND2 ASN 342 11.708 3.152 35.794 1.00 25.75 MOLA

ATOM 2194 C ASN 342 12.732 1.382 33.965 1.00 23.92 MOLA

ATOM 2195 O ASN 342 13.860 1.508 33.549 1.00 28.35 MOLA

ATOM 2196 N THR 343 11.718 1.990 33.366 1.00 24.11 MOLA

ATOM 2197 CA THR 343 11.973 2.842 32.217 1.00 24.51 MOLA

ATOM 2198 CB THR 343 11.069 2.482 31.017 1.00 24.78 MOLA

ATOM 2199 OGl THR 343 9.700 2.400 31.444 1.00 24.19 MOLA

ATOM 2200 CG2 THR 343 11.507 1.159 30.398 1.00 28.34 MOLA

ATOM 2201 C THR 343 11.808 4.336 32.509 1.00 27.40 MOLA

ATOM 2202 O THR 343 12.373 5.167 31.802 1.00 27.70 MOLA

ATOM 2203 N SΞR 344 11.035 4.671 33.541 1.00 28.77 MOLA

ATOM 2204 CA SΞR 344 10.787 6.067 33.899 1.00 28.22 MOLA

ATOM 2205 CB SΞR 344 9.591 6.185 34.864 1.00 29.33 MOLA

ATOM 2206 OG SΞR 344 9.897 5.720 36.173 1.00 33.02 MOLA

ATOM 2207 C SΞR 344 12.013 6.740 34.517 1.00 27.21 MOLA

ATOM 2208 O SΞR 344 12.131 7.960 34.503 1.00 27.74 MOLA

ATOM 2209 N SΞR 345 12.929 5.961 35.071 1.00 25.59 MOLA

ATOM 2210 CA SΞR 345 14.119 6.557 35.656 1.00 25.41 MOLA

ATOM 2211 CB SΞR 345 14.935 5.477 36.331 1.00 19.92 MOLA

ATOM 2212 OG SΞR 345 14.278 4.237 36.150 1.00 22.98 MOLA

ATOM 2213 C SΞR 345 14.942 7.286 34.583 1.00 27.46 MOLA

ATOM 2214 O SΞR 345 15.602 8.285 34.871 1.00 26.84 MOLA

ATOM 2215 N TYR 346 14.880 6.793 33.347 1.00 26.62 MOLA

ATOM 2216 CA TYR 346 15.5 8 7.403 32.235 1.00 27.23 MOLA

ATOM 2217 CB TYR 346 15.537 6.501 31.011 1.00 24.09 MOLA

ATOM 2218 CG TYR 346 16.603 5.458 30.979 1.00 21.41 MOLA

ATOM 2219 CDl TYR 346 17.916 5.799 30.674 1.00 19.38 MOLA

ATOM 2220 CΞl TYR 346 18.920 4.847 30.633 1.00 24.29 MOLA

ATOM 2221 CD2 TYR 346 16.306 4.127 31.251 1.00 21.18 MOLA

ATOM 2222 CΞ2 TYR 346 17.300 3.151 31.216 1.00 25.12 MOLA

ATOM 2223 CZ TYR 346 18.609 3.524 30.902 1.00 27.59 MOLA

ATOM 2224 OH TYR 346 19.604 2.583 30.837 1.00 31.52 MOLA

ATOM 2225 C TYR 346 14.970 8.737 31.883 1.00 29.55 MOLA

ATOM 2226 O TYR 346 15.625 9.615 31.311 1.00 33.29 MOLA

ATOM 2227 N SΞR 347 13.702 8.893 32.241 1.00 28.66 MOLA

ATOM 2228 CA SΞR 347 12.984 10.114 31.934 1.00 32.34 MOLA

ATOM 2229 CB SΞR 347 11.572 9.777 31.477 1.00 30.46 MOLA

ATOM 2230 OG SΞR 347 11.592 8.930 30.345 1.00 31.69 MOLA

ATOM 2231 C SΞR 347 12.912 11.120 33.066 1.00 34.65 MOLA

ATOM 2232 O SΞR 347 13.005 12.312 32.825 1.00 38.28 MOLA

ATOM 2233 N VAL 348 12.745 10.649 34.296 1.00 37.05 MOLA

ATOM 2234 CA VAL 348 12.643 11.543 35.447 1.00 38.58 MOLA

ATOM 2235 CB VAL 348 11.841 10.872 36.576 1.00 40.42 MOLA

ATOM 2236 CGI VAL 348 11.709 11.817 37.761 1.00 43.57 MOLA

ATOM 2237 CG2 VAL 348 10.451 10.479 36.063 1.00 43.10 MOLA ATOM 2238 C VAL 348 13.978 12.041 35..997 1.00 38..81 MOLA

ATOM 2239 O VAL 348 14. ,020 13.033 36. ,723 1.00 41. .02 MOLA

ATOM 2240 N ARG 349 15. 064 11.353 35. ,650 1.00 38. .57 MOLA

ATOM 2241 CA ARG 349 16. 397 11.740 36. ,105 1.00 34. .27 MOLA

ATOM 2242 CB ARG 349 17. .434 10.677 35. .725 1.00 31. ,11 MOLA

ATOM 2243 CG ARG 349 17. .810 10.630 34. .238 1.00 25. ,30 MOLA

ATOM 2244 CD ARG 349 18. ,715 9.433 33. .980 1.00 26. ,24 MOLA

ATOM 2245 NΞ ARG 349 19. ,180 9.326 32. .598 1.00 27. .54 MOLA

ATOM 2246 CZ ARG 349 19. ,893 8.305 32. ,111 1.00 26. .13 MOLA

ATOM 2247 NHl ARG 349 20. ,280 8.298 30. ,833 1.00 18. .93 MOLA

ATOM 2248 NH2 ARG 349 20. ,216 7.282 32. .895 1.00 25. .62 MOLA

ATOM 2249 C ARG 349 16. .823 13.064 35. .489 1.00 37. .13 MOLA

ATOM 2250 O ARG 349 17. .956 13.492 35, .793 1.00 39. .15 MOLA

ATOM 2251 OXT ARG 349 16. .039 13.640 34, .701 1.00 38. .45 MOLA

ATOM 2252 CB GLU 22 16. .444 1.283 -12, .486 1.00 46. .40 MOLB

ATOM 2253 CG GLU 22 15. .175 0.653 -13, .056 1.00 55. .02 MOLB

ATOM 2254 CD GLU 22 14. .227 0.137 -11, .974 1.00 60. .38 MOLB

ATOM 2255 OΞl GLU 22 14. .688 -0.601 -11, .070 1.00 63. .73 MOLB

ATOM 2256 OΞ2 GLU 22 13. .021 0.483 -12, .035 1.00 60. .33 MOLB

ATOM 2257 C GLU 22 18. .162 0.235 -13, .946 1.00 36. .42 MOLB

ATOM 2258 O GLU 22 17, .976 1.136 -14, .759 1.00 35, .27 MOLB

ATOM 2259 N GLU 22 18. .695 0.827 -11, .548 1.00 35, .50 MOLB

ATOM 2260 CA GLU 22 17. .652 0.345 -12, .505 1.00 40. .03 MOLB

ATOM 2261 N THR 23 18. .792 -0.890 -14, .249 1.00 32. .81 MOLB

ATOM 2262 CA THR 23 19. .335 -1.127 -15, .575 1.00 27. .72 MOLB

ATOM 2263 CB THR 23 20. .344 -2.301 -15. .563 1.00 27. .03 MOLB

ATOM 2264 OGl THR 23 19. .703 -3.491 -15, .086 1.00 27. .49 MOLB

ATOM 2265 CG2 THR 23 21, .528 -1.975 -14, .664 1.00 23, .89 MOLB

ATOM 2266 C THR 23 18. .274 -1.417 -16, .624 1.00 24. .63 MOLB

ATOM 2267 O THR 23 18. .569 -1.440 -17, .816 1.00 26. .20 MOLB

ATOM 2268 N GLY 24 17, .038 -1.629 -16, .202 1.00 23, .45 MOLB

ATOM 2269 CA GLY 24 16, .012 -1.913 -17, .188 1.00 23. .71 MOLB

ATOM 2270 C GLY 24 16, .103 -3.342 -17, .706 1.00 24, .31 MOLB

ATOM 2271 O GLY 24 15, .315 -3.746 -18, .560 1.00 22, .79 MOLB

ATOM 2272 N LΞU 25 17, .056 -4.119 -17, .190 1.00 23, .06 MOLB

ATOM 2273 CA LΞU 25 17, .212 -5.505 -17 .632 1.00 22, .60 MOLB

ATOM 2274 CB LΞU 25 18, .559 -6.082 -17 .151 1.00 15, .39 MOLB

ATOM 2275 CG LΞU 25 19, .782 -5.470 -17 .840 1.00 12, .75 MOLB

ATOM 2276 CDl LΞU 25 21 .069 -6.028 -17 .286 1.00 10, .69 MOLB

ATOM 2277 CD2 LEU 25 19 .686 -5.734 -19 .319 1.00 11, .60 MOLB

ATOM 2278 C LEU 25 16 .048 -6.379 -17 .148 1.00 24, .85 MOLB

ATOM 2279 O LEU 25 15, .803 -7.444 -17 .707 1.00 28, .57 MOLB

ATOM 2280 N ASP 26 15, .326 -5.940 -16 .121 1.00 24, .47 MOLB

ATOM 2281 CA ASP 26 14, .183 -6.718 -15 .646 1.00 23, .22 MOLB

ATOM 2282 CB ASP 26 13 .672 -6.208 -14 .308 1.00 26, .89 MOLB

ATOM 2283 CG ASP 26 14 .538 -6.615 -13 .151 1.00 30, .64 MOLB

ATOM 2284 OD1 ASP 26 14 .251 -6.121 -12 .044 1.00 31, .24 MOLB

ATOM 2285 OD2 ASP 26 15 .489 -7.416 -13 .345 1.00 37, .51 MOLB

ATOM 2286 C ASP 26 13 .029 -6.618 -16 .615 1.00 21, .04 MOLB

ATOM 2287 O ASP 26 12 .005 -7.243 -16 .411 1.00 22 .10 MOLB

ATOM 2288 N ASP 27 13 .185 -5.775 -17 .629 1.00 22 .07 MOLB

ATOM 2289 CA ASP 27 12 .176 -5.589 -18 .671 1.00 22 .24 MOLB

ATOM 2290 CB ASP 27 12 .266 -4.180 -19 .261 1.00 24 .64 MOLB

ATOM 2291 CG ASP 27 11 .582 -3.125 -18 .402 1.00 28 .33 MOLB

ATOM 2292 OD1 ASP 27 11 .961 -1.933 -18 .513 1.00 24 .35 MOLB ATOM 2293 OD2 ASP 27 10.,664 -3.,476 -17..636 1.00 33..19 MOLB

ATOM 2294 C ASP 27 12. ,440 -6. ,589 -19. ,791 1.00 21, .71 MOLB

ATOM 2295 O ASP 27 11. ,754 -6. .577 -20. .810 1.00 20, .44 MOLB

ATOM 2296 N ILB 28 13. ,460 -7. .427 -19. ,596 1.00 19. ,97 MOLB

ATOM 2297 CA ILΞ 28 13. ,843 -8. .433 -20. ,576 1.00 16. .94 MOLB

ATOM 2298 CB ILΞ 28 15. .346 -8. .322 -21. ,014 1.00 14. .14 MOLB

ATOM 2299 CG2 ILΞ 28 15. .801 -9. .650 -21. ,665 1.00 5. .99 MOLB

ATOM 2300 CGI ILE 28 15. .523 -7. .178 -22. ,014 1.00 10. .54 MOLB

ATOM 2301 CDl ILE 28 15. .096 -5. .863 -21. .488 1.00 9. .28 MOLB

ATOM 2302 C ILΞ 28 13. .620 -9. .829 -20. .023 1.00 19. .07 MOLB

ATOM 2303 O ILΞ 28 14. .098 -10. .186 -18. .936 1.00 18. .86 MOLB

ATOM 2304 N THR 29 12. .888 -10. ,618 -20. ,794 1.00 17. .21 MOLB

ATOM 2305 CA THR 29 12. ,597 -11. ,986 -20. .425 1.00 14. .93 MOLB

ATOM 2306 CB THR 29 11. ,116 -12. .141 -20. ,034 1.00 13. .08 MOLB

ATOM 2307 OGl THR 29 10. .952 -11. .801 -18. ,654 1.00 15. ,65 MOLB

ATOM 2308 CG2 THR 29 10. .652 -13. .571 -20. ,268 1.00 9. ,51 MOLB

ATOM 2309 C THR 29 12. .943 -12. .891 -21. ,590 1.00 16. .51 MOLB

ATOM 2310 O THR 29 12. .414 -12. .735 -22. .693 1.00 15. .38 MOLB

ATOM 2311 N PHΞ 30 13. .858 -13. .825 -21. .341 1.00 20. .27 MOLB

ATOM 2312 CA PHΞ 30 14. .269 -14. .772 -22. .371 1.00 20. .02 MOLB

ATOM 2313 CB PHΞ 30 15. .419 -15. .671 -21. .864 1.00 17. ,67 MOLB

ATOM 2314 CG PHΞ 30 16. .772 -15. .018 -21. .888 1.00 18. ,48 MOLB

ATOM 2315 CDl PHΞ 30 17. .400 -14. .638 -20. .708 1.00 18. .40 MOLB

ATOM 2316 CD2 PHΞ 30 17. .419 -14. .771 -23. .101 1.00 19. .38 MOLB

ATOM 2317 CΞl PHE 30 18, .655 -14. .015 -20. .723 1.00 14. .24 MOLB

ATOM 2318 CE2 PHE 30 18, .672 -14. .148 -23. .130 1.00 17. .77 MOLB

ATOM 2319 CZ PHΞ 30 19, .290 -13. .767 -21. .934 1.00 17. .41 MOLB

ATOM 2320 C PHΞ 30 13, .067 -15. .644 -22. .704 1.00 18, .51 MOLB

ATOM 2321 O PHΞ 30 12. .190 -15. .869 -21, .850 1.00 19, .86 MOLB

ATOM 2322 N VAL 31 13, .017 -16. .101 -23, .953 1.00 17, .27 MOLB

ATOM 2323 CA VAL 31 11, .958 -17, .006 -24, .398 1.00 16, .07 MOLB

ATOM 2324 CB VAL 31 11, .694 -16, .928 -25, .934 1.00 14, .36 MOLB

ATOM 2325 CGI VAL 31 10, .673 -18, .016 -26, .336 1.00 8. .27 MOLB

ATOM 3 CG2 VAL 31 11, .177 -15, .549 - 6. .315 1.00 12, .51 MOLB

ATOM 2327 C VAL 31 12, .491 -18, .402 -24, .069 1.00 16, .16 MOLB

ATOM 2328 O VAL 31 13, .548 -18, .811 -24, .562 1.00 14, .16 MOLB

ATOM 2329 N HIS 32 11, .757 -19, .105 -23, .216 1.00 16, .98 MOLB

ATOM 2330 CA HIS 32 12, .122 -20, .443 -22, .771 1.00 17, .20 MOLB

ATOM 2331 CB HIS 32 11, .041 -20, .982 -21, .847 1.00 17, .28 MOLB

ATOM 2332 CG HIS 32 11 .359 -22 .328 -21, .297 1.00 17, .12 MOLB

ATOM 2333 CD2 HIS 32 10 .712 -23 .509 -21, .402 1.00 18, .71 MOLB

ATOM 2334 NDl HIS 32 12 .507 -22 .580 -20, .580 1.00 18 .65 MOLB

ATOM 2335 CE1 HIS 32 12 .558 -23 .861 -20, .272 1.00 16 .66 MOLB

ATOM 2336 NΞ2 HIS 32 11 .481 -24 .448 -20 .761 1.00 19 .12 MOLB

ATOM 2337 C HIS 32 12 .354 -21 .475 -23 .868 1.00 18 .54 MOLB

ATOM 2338 0 HIS 32 11 .590 -21 .555 -24 .825 1.00 23 .15 MOLB

ATOM 2339 N VAL 33 13 .397 -22 .282 -23 .716 1.00 17 .87 MOLB

ATOM 2340 CA VAL 33 13 .702 -23 .320 -24 .692 1.00 14 .79 MOLB

ATOM 2341 CB VAL 33 15 .130 -23 .130 -25 .200 1.00 12 .70 MOLB

ATOM 2342 CGI VAL 33 15 .578 -24 .324 -26 .034 1.00 11 .92 MOLB

ATOM 2343 CG2 VAL 33 15 .188 -21 .863 -26 .002 1.00 7 .50 MOLB

ATOM 2344 C VAL 33 13 .521 -24 .679 -24 .006 1.00 17, .00 MOLB

ATOM 2345 O VAL 33 14 .244 -25 .013 -23 .061 1.00 17 .45 MOLB

ATOM 2346 N SER 34 12 .546 -25 .456 -24 .463 1.00 18 .82 MOLB

ATOM 2347 CA SΞR 34 12 .262 -26 .753 -23 .852 1.00 21 .72 MOLB ATOM 2348 CB SΞR 34 10.,877 -27.,256 -24.,291 1.00 21.,18 MOLB

ATOM 2349 OG SΞR 34 9. ,845 -26. ,387 -23. ,859 1.00 29. ,44 MOLB

ATOM 2350 C SΞR 34 13. ,298 -27. ,823 -24. ,151 1.00 20. .96 MOLB

ATOM 2351 O SΞR 34 13. ,583 -28. ,681 -23. ,304 1.00 21. .45 MOLB

ATOM 2352 N LΞU 35 13. ,849 -27. ,769 -25. ,357 1.00 19. .11 MOLB

ATOM 2353 CA LΞU 35 14. ,847 -28. ,742 -25. ,778 1.00 21. .51 MOLB

ATOM 2354 CB LΞU 35 14. ,326 -29. ,482 -26. ,997 1.00 18. .98 MOLB

ATOM 2355 CG LΞU 35 12. ,959 -30. ,103 -26. ,829 1.00 18. ,55 MOLB

ATOM 2356 CDl LΞU 35 12. ,395 -30. ,216 -28. ,229 1.00 24. ,02 MOLB

ATOM 2357 CD2 LΞU 35 13. ,016 -31. ,459 -26. ,124 1.00 16. .86 MOLB

ATOM 2358 C LΞU 35 16. .179 -28. ,084 -26. ,120 1.00 23. ,17 MOLB

ATOM 2359 O LΞU 35 16. .611 -28. ,107 -27. ,271 1.00 24. ,22 MOLB

ATOM 2360 N PRO 36 16. .856 -27. .506 -25. ,125 1.00 25. ,49 MOLB

ATOM 2361 CD PRO 36 16. .572 -27. .533 -23. ,678 1.00 27. ,33 MOLB

ATOM 2362 CA PRO 36 18. .138 -26. .849 -25. ,401 1.00 28. ,37 MOLB

ATOM 2363 CB PRO 36 18. .563 -26. .332 -24. ,029 1.00 30. ,99 MOLB

ATOM 2364 CG PRO 36 17. .944 -27. ,341 -23. ,088 1.00 31. ,10 MOLB

ATOM 2365 C PRO 36 19. .210 -27. ,710 -26. ,073 1.00 28. .29 MOLB

ATOM 2366 .0 PRO 36 20. .158 -27. .189 -26. ,653 1.00 28. .89 MOLB

ATOM 2367 N ASP 37 19. ,063 -29. .023 -25. ,980 1.00 29. .98 MOLB

ATOM 2368 CA ASP 37 19. .989 -29. .961 -26. .618 1.00 35. .29 MOLB

ATOM 2369 CB ASP 37 19. .656 -30. .046 -28, .098 1.00 36. .15 MOLB

ATOM 2370 CG ASP 37 20. .286 -31. .232 -28, .753 1.00 37, .67 MOLB

ATOM 2371 ODl ASP 37 20. .402 -31. .225 -30. .000 1.00 42, .67 MOLB

ATOM 2372 OD2 ASP 37 20. .666 -32, .163 -28, .011 1.00 35, .20 MOLB

ATOM 2373 C ASP 37 21, .478 -29, .632 -26, .467 1.00 38, .24 MOLB

ATOM 2374 O ASP 37 22. .262 -29, .699 -27, .433 1.00 39, .04 MOLB

ATOM 2375 N LΞU 38 21. .861 -29, .296 -25, .241 1.00 39, .99 MOLB

ATOM 2376 CA LΞU 38 23, .227 -28, .924 -24, .937 1.00 39, .20 MOLB

ATOM 2377 CB LΞU 38 23, .380 -27, .405 -24, .929 1.00 40, .02 MOLB

ATOM 2378 CG LΞU 38 23, .744 -26, .727 -26. .234 1.00 42. .55 MOLB

ATOM 2379 CDl LΞU 38 23, .993 -25, .255 -25, .972 1.00 42. .80 MOLB

ATOM 2380 CD2 LΞU 38 24, .996 -27, .382 -26, .792 1.00 46, .99 MOLB

ATOM 381 C LEU 38 23, ,685 -29, .420 -23, ,595 1.00 3 o i .83 MOLB

ATOM 2382 O LΞU 38 22, .897 -29, .542 -22 , .663 1.00 39, .63 MOLB

ATOM 2383 N ALA 39 24 .986 -29, .661 -23, .508 1.00 39, .22 MOLB

ATOM 2384 CA ALA 39 25, .624 -30, .112 -22, .287 1.00 37, .47 MOLB

ATOM 2385 CB ALA 39 26, .477 -31, .315 -22, .576 1.00 38, .27 MOLB

ATOM 2386 C ALA 39 26 .489 -28, .955 -21, .805 1.00 37, .42 MOLB

ATOM 2387 O ALA 39 27 .181 -28, .322 -22, .602 1.00 34, .79 MOLB

ATOM 2388 N LΞU 40 26 .446 -28 .680 -20, .506 1.00 37, .41 MOLB

ATOM 2389 CA LΞU 40 27 .225 -27 .596 -19, .924 1.00 38, .40 MOLB

ATOM 2390 CB LΞU 40 27 .233 -27 .735 -18 .400 1.00 39, .27 MOLB

ATOM 2391 CG LΞU 40 27 .862 -26 .601 -17 .592 1.00 38, .64 MOLB

ATOM 2392 CDl LΞU 40 27 .150 -25 .307 -17 .881 1.00 41 .24 MOLB

ATOM 2393 CD2 LΞU 40 27 .761 -26 .925 -16 .113 1.00 39 .83 MOLB

ATOM 2394 C LΞU 40 28 .664 -27 .564 -20 .435 1.00 38, .78 MOLB

ATOM 2395 O LΞU 40 29 .266 -26 .501 -20 .574 1.00 39, .87 MOLB

ATOM 2396 N GLU 41 29 .202 -28 .741 -20 .730 1.00 38, .79 MOLB

ATOM 2397 CA GLU 41 30 .573 -28 .893 -21 .202 1.00 37, .39 MOLB

ATOM 2398 CB GLU 41 30 .995 -30 .368 -21 .123 1.00 42, .73 MOLB

ATOM 2399 CG GLU 41 31 .081 -30 .945 -19 .714 1.00 54 .04 MOLB

ATOM 2400 CD GLU 41 29 .729 -31 .006 -19 .000 1.00 62 .57 MOLB

ATOM 2401 OE1 GLU 41 29 .716 -30 .839 -17 .753 1.00 65 .19 MOLB

ATOM 2402 OE2 GLU 41 28 .690 -31 .229 -19 .674 1.00 65 .77 MOLB ATOM 2403 C GLU 41 30.813 -28.395 -22.620 1.00 34.40 MOLB

ATOM 2404 O GLU 41 31.955 -28.226 -23.026 1.00 36.86 MOLB

ATOM 2405 N GLN 42 29.759 -28.157 -23.384 1.00 31.67 MOLB

ATOM 2406 CA GLN 42 29.955 -27.712 -24.757 1.00 31.47 MOLB

ATOM 2407 CB GLN 42 28.902 -28.316 -25.674 1.00 37.15 MOLB

ATOM 2408 CG GLN 42 28.649 -29.799 -25.511 1.00 44.18 MOLB

ATOM 2409 CD GLN 42 27.380 -30.217 -26.219 1.00 46.91 MOLB

ATOM 2410 OΞl GLN 42 27.255 -30.054 -27.438 1.00 49.35 MOLB

ATOM 2411 NΞ2 GLN 42 26.423 -30.745 -25.462 1.00 47.91 MOLB

ATOM 2412 C GLN 42 29.871 -26.205 -24.858 1.00 31.50 MOLB

ATOM 2413 O GLN 42 30.201 -25.623 -25.902 1.00 29.01 MOLB

ATOM 2414 N VAL 43 29.430 -25.581 -23.766 1.00 32.54 MOLB

ATOM 2415 CA VAL 43 29.266 -24.134 -23.714 1.00 31.52 MOLB

ATOM 2416 CB VAL 43 28.556 -23.699 -22.431 1.00 31.35 MOLB

ATOM 2417 CGI VAL 43 28.176 -22.240 -22.513 1.00 29.74 MOLB

ATOM 2418 CG2 VAL 43 27.326 -24.550 -22.214 1.00 33.35 MOLB

ATOM 2419 C VAL 43 30.589 -23.401 -23.811 1.00 32.38 MOLB

ATOM 2420 O VAL 43 31.507 -23.617 -23.015 1.00 31.32 MOLB

ATOM 2421 N ASP 44 30.668 -22.538 -24.813 1.00 31.39 MOLB

ATOM 2422 CA ASP 44 31.839 -21.732 -25.062 1.00 30.53 MOLB

ATOM 2423 CB ASP 44 32.210 -21.836 -26.525 1.00 33.16 MOLB

ATOM 2424 CG ASP 44 33.351 -20.928 -26.873 1.00 36.77 MOLB

ATOM 2425 OD1 ASP 44 34.155 -20.683 -25.948 1.00 39.52 MOLB

ATOM 2426 OD2 ASP 44 33.456 -20.469 -28.035 1.00 37.82 MOLB

ATOM 2427 C ASP 44 31.520 -20.272 -24.728 1.00 33.03 MOLB

ATOM 2428 O ASP 44 30.730 -19.632 -25.435 1.00 35.95 MOLB

ATOM 2429 N ILΞ 45 32.127 -19.725 -23.677 1.00 29.24 MOLB

ATOM 2430 CA ILΞ 45 31.827 -18.339 -23.318 1.00 24.75 MOLB

ATOM 2431 CB ILE 45 31.603 -18.165 -21.800 1.00 23.19 MOLB

ATOM 2432 CG2 ILΞ 45 30.580 -19.182 -21.291 1.00 22.31 MOLB

ATOM 2433 CGI ILΞ 45 32.930 -18.320 -21.060 1.00 13.88 MOLB

ATOM 2434 CDl ILE 45 32.794 -18.125 -19.581 1.00 13.32 MOLB

ATOM 2435 C ILE 45 32.882 -17.319 -23.723 1.00 24.00 MOLB

ATOM 2436 O ILE 45 32.947 —1 .236 -23.156 1.00 25.30 MOLB

ATOM 2437 N SΞR 46 33.709 -17.642 -24.706 1.00 23.86 MOLB

ATOM 2438 CA SΞR 46 34.730 -16.676 -25.109 1.00 23.18 MOLB

ATOM 2439 CB SΞR 46 35.864 -17.364 -25.873 1.00 19.69 MOLB

ATOM 2440 OG SΞR 46 35.379 -18.087 -26.986 1.00 16.40 MOLB

ATOM 2441 C SΞR 46 34.078 -15.591 -25.947 1.00 24.86 MOLB

ATOM 2442 O SΞR 46 33.022 -15.813 -26.544 1.00 28.06 MOLB

ATOM 2443 N THR 47 34.702 -14.418 -25.979 1.00 24.27 MOLB

ATOM 2444 CA THR 47 34.156 -13.285 -26.720 1.00 23.89 MOLB

ATOM 2445 CB THR 47 33.245 -12.417 -25.821 1.00 22.23 MOLB

ATOM 2446 OGl THR 47 32.561 -11.460 -26.629 1.00 26.38 MOLB

ATOM 2447 CG2 THR 47 34.065 -11.681 -24.768 1.00 17.82 MOLB

ATOM 2448 C THR 47 35.220 -12.370 -27.322 1.00 26.32 MOLB

ATOM 2449 O THR 47 36.422 -12.564 -27.101 1.00 25.93 MOLB

ATOM 2450 N LYS 48 34.778 -11.376 -28.090 1.00 26.12 MOLB

ATOM 2451 CA LYS 48 35.699 -10.441 -28.710 1.00 30.71 MOLB

ATOM 2452 CB LYS 48 35.782 -10.717 -30.219 1.00 33.00 MOLB

ATOM 2453 CG LYS 48 36.626 -11.942 -30.545 1.00 41.12 MOLB

ATOM 2454 CD LYS 48 36.847 -12.182 -32.036 1.00 48.30 MOLB

ATOM 2455 CB LYS 48 37.955 -11.331 -32.634 1.00 51.06 MOLB

ATOM 2456 NZ LYS 48 38.161 -11.666^' -34.082 1.00 52.89 MOLB

ATOM 2457 C LYS 48 35.382 -8.961 -28.440 1.00 31.56 MOLB ATOM 2458 O LYS 48 34.311 -8.462 -28.785 1.00 36.33 MOLB

ATOM 2459 N ILΞ 49 36.312 -8.262 -27.801 1.00 30.00 MOLB

ATOM 2460 CA ILΞ 49 36.110 -6.850 -27.531 1.00 30.57 MOLB

ATOM 2461 CB ILΞ 49 36.654 -6.422 -26.144 1.00 28.13 MOLB

ATOM 2462 CG2 ILΞ 49 36.371 -4.954 -25.913 1.00 19.53 MOLB

ATOM 2463 CGI ILΞ 49 35.996 -7.240 -25.030 1.00 27.28 MOLB

ATOM 2464 CDl ILΞ 49 36.557 -6.956 -23.643 1.00 29.91 MOLB

ATOM 2465 C ILΞ 49 36.892 -6.133 -28.616 1.00 34.75 MOLB

ATOM 2466 O ILΞ 49 38.063 -5.799 -28.441 1.00 37.83 MOLB

ATOM 2467 N GLY 50 36.239 -5.894 -29.743 1.00 35.18 MOLB

ATOM 2468 CA GLY 50 36.916 -5.259 -30.843 1.00 31.93 MOLB

ATOM 2469 C GLY 50 37.717 -6.377 -31.482 1.00 34.01 MOLB

ATOM 2470 O GLY 50 37.173 -7.410 -31.871 1.00 34.72 MOLB

ATOM 2471 N GLU 51 39.022 -6.183 -31.569 1.00 34.78 MOLB

ATOM 2472 CA GLU 51 39.895 -7.185 -32.153 1.00 34.78 MOLB

ATOM 2473 CB GLU 51 40.935 -6.504 -33.027 1.00 39.92 MOLB

ATOM 2474 CG GLU 51 40.313 -5.657 -34.105 1.00 51.69 MOLB

ATOM 2475 CD GLU 51 40.781 -6.055 -35.484 1.00 58.61 MOLB

ATOM 2476 OΞl GLU 51 41.997 -5.917 -35.752 1.00 59.49 MOLB

ATOM 2477 OΞ2 GLU 51 39.936 -6.518 -36.287 1.00 64.73 MOLB

ATOM 2478 C GLU 51 40.565 -8.006 -31.051 1.00 32.18 MOLB

ATOM 2479 O GLU 51 41.215 -9.004 -31.317 1.00 31.26 MOLB

ATOM 2480 N LΞU 52 40.383 -7.573 -29.809 1.00 31.40 MOLB

ATOM 2481 CA LEU 52 40.930 -8.262 -28.647 1.00 30.67 MOLB

ATOM 2482 CB LEU 52 40.879 -7.352 -27.415 1.00 31.25 MOLB

ATOM 2483 CG LΞU 52 41.655 -6.041 -27.513 1.00 33.96 MOLB

ATOM 2484 CDl LΞU 52 41.318 -5.175 -26.326 1.00 34.46 MOLB

ATOM 2485 CD2 LΞU 52 43.157 -6.320 -27.572 1.00 37.32 MOLB

ATOM 2486 C LΞU 52 40.093 -9.507 -28.372 1.00 28.87 MOLB

ATOM 2487 O LΞU 52 38.867 -9.479 -28.484 1.00 30.55 MOLB

ATOM 2488 N SΞR 53 40.751 -10.597 -28.015 1.00 25.16 MOLB

ATOM 2489 CA SΞR 53 40.054 -11.835 -27.736 1.00 26.28 MOLB

ATOM 2490 CB SΞR 53 40.744 -13.024 -28.409 1.00 27.41 MOLB

ATOM 2491 OG SER 53 40.818 -12.851 -29.814 1.00 35.78 MOLB

ATOM 2492 C SΞR 53 40.064 -12.086 -26.258 1.00 26.46 MOLB

ATOM 2493 0 SΞR 53 41.100 -12.006 -25.616 1.00 28.17 MOLB

ATOM 2494 N SΞR 54 38.911 -12.420 -25.715 1.00 26.03 MOLB

ATOM 2495 CA SΞR 54 38.814 -12.662 -24.299 1.00 24.85 MOLB

ATOM 2496 CB SΞR 54 38.068 -11.514 -23.646 1.00 23.98 MOLB

ATOM 2497 OG SΞR 54 37.793 -11.796 -22.290 1.00 26.43 MOLB

ATOM 2498 C SΞR 54 38.122 -13.992 -24.048 1.00 27.03 MOLB

ATOM 2499 O SΞR 54 37.131 -14.331 -24.691 1.00 29.69 MOLB

ATOM 2500 N SΞR 55 38.652 -14.761 -23.110 1.00 27.70 MOLB

ATOM 2501 CA SΞR 55 38.092 -16.055 -22.779 1.00 27.25 MOLB

ATOM 2502 CB SER 55 39.178 -16.899 -22.158 1.00 26.23 MOLB

ATOM 2503 OG SΞR 55 39.707 -16.197 -21.050 1.00 31.55 MOLB

ATOM 2504 C SΞR 55 36.922 -15.936 -21.817 1.00 27.60 MOLB

ATOM 2505 O SΞR 55 36.321 -16.938 -21.422 1.00 29.63 MOLB

ATOM 2506 N SΞR 56 36.603 -14.707 -21.437 1.00 26.66 MOLB

ATOM 2507 CA SΞR 56 35.505 -14.427 -20.518 1.00 25.24 MOLB

ATOM 2508 CB SΞR 56 36.053 -14.138 -19.119 1.00 22.61 MOLB

ATOM 2509 OG SΞR 56 35.039 -13.612 -18.287 1.00 23.34 MOLB

ATOM 2510 C SΞR 56 34.697 -13.215 -20.995 1.00 24.29 MOLB

ATOM 2511 O SΞR 56 35.258 -12.247 -21.532 1.00 22.92 MOLB

ATOM 2512 N PRO 57 33.361 -13.259 -20.824 1.00 21.89 MOLB ATOM 2513 CD PRO 57 32.583 -14.480 -20..546 1.00 19.29 MOLB

ATOM 2514 CA PRO 57 32.472 -12.161 -21, .223 1.00 20.73 MOLB

ATOM 2515 CB PRO 57 31.213 -12.884 -21, .669 1.00 18.33 MOLB

ATOM 2516 CG PRO 57 31.142 -14.016 -20, .696 1.00 19.71 MOLB

ATOM 2517 C PRO 57 32.236 -11.272 -20. .003 1.00 20.99 MOLB

ATOM 2518 O PRO 57 31.358 -10.414 -19, .986 1.00 20.59 MOLB

ATOM 2519 N ILΞ 58 33.047 -11.486 -18. .979 1.00 21.48 MOLB

ATOM 2520 CA ILΞ 58 32.934 -10.724 -17. .754 1.00 23.18 MOLB

ATOM 2521 CB ILΞ 58 32.378 -11.603 -16. ,629 1.00 25.99 MOLB

ATOM 2522 CG2 ILΞ 58 32.459 -10.880 -15. ,304 1.00 28.19 MOLB

ATOM 2523 CGI ILΞ 58 30.928 -11.974 -16. ,923 1.00 25.43 MOLB

ATOM 2524 CDl ILΞ 58 30.339 -12.797 -15. .811 1.00 27.20 MOLB

ATOM 2525 C ILΞ 58 34.312 -10.243 -17, .346 1.00 22.51 MOLB

ATOM 2526 O ILΞ 58 35.232 -11.050 -17, .235 1.00 26.06 MOLB

ATOM 2527 N PHΞ 59 34.463 -8.939 -17, .122 1.00 21.38 MOLB

ATOM 2528 CA PHΞ 59 35.750 -8.382 -16, .694 1.00 22.25 MOLB

ATOM 2529 CB PHΞ 59 36.376 -7.505 -17, .788 1.00 20.89 MOLB

ATOM 2530 CG PHE 59 35.689 -6.189 -17, .985 1.00 21.44 MOLB

ATOM 2531 CDl PHΞ 59 36.058 -5.074 -17, .236 1.00 23.65 MOLB

ATOM 2532 CD2 PHΞ 59 34.673 -6.054 -18, .915 1.00 21.72 MOLB

ATOM 2533 CE1 PHΞ 59 35.420 -3.838 -17, .423 1.00 23.34 MOLB

ATOM 2534 CΞ2 PHΞ 59 34.026 -4.830 -19, .109 1.00 21.72 MOLB

ATOM 2535 CZ PHΞ 59 34.402 -3.718 -18, .363 1.00 22.26 MOLB

ATOM 2536 C PHΞ 59 35.573 -7.570 -15, .422 1.00 22.14 MOLB

ATOM 2537 O PHE 59 34.458 -7.141 -15, .108 1.00 21.82 MOLB

ATOM 2538 N ILΞ 60 36.676 -7.370 -14, .699 1.00 23.47 MOLB

ATOM 2539 CA ILΞ 60 36.676 -6.613 -13, .441 1.00 24.98 MOLB

ATOM 2540 CB ILΞ 60 37.732 -7.140 -12, .473 1.00 21.38 MOLB

ATOM 2541 CG2 ILΞ 60 37.697 -6.352 -11, .180 1.00 17.39 MOLB

ATOM 2542 CGI ILΞ 60 37.511 -8.622 -12, .238 1.00 24.11 MOLB

ATOM 2543 CDl ILΞ 60 38.564 -9.246 -11, .372 1.00 28.34 MOLB

ATOM 2544 C ILΞ 60 36.960 -5.136 -13, .603 1.00 27.58 MOLB

ATOM 2545 O ILΞ 60 37.952 -4.757 -14, .217 1.00 27.26 MOLB

ATOM 2546 N ASN 61 36.104 -4.299 -13, .032 1.00 31.37 MOLB

ATOM 2547 CA ASN 61 36.300 -2.853 -13. .085 1.00 37.42 MOLB

ATOM 2548 CB ASN 61 34.972 -2.156 -13, .387 1.00 37.83 MOLB

ATOM 2549 CG ASN 61 34.836 -1.771 -14, .840 1.00 41.95 MOLB

ATOM 2550 OD1 ASN 61 33.732 -1.741 -15. .386 1.00 44.80 MOLB

ATOM 2551 ND2 ASN 61 35.959 -1.458 -15, .475 1.00 46.00 MOLB

ATOM 2552 C ASN 61 36.820 -2.392 -11, .728 1.00 41.20 MOLB

ATOM 2553 O ASN 61 36.034 -2.132 -10. .824 1.00 47.44 MOLB

ATOM 2554 N ALA 62 38.135 -2.293 -11, .558 1.00 43.18 MOLB

ATOM 2555 CA ALA 62 38.667 -1.859 -10. .262 1.00 43.09 MOLB

ATOM 2556 CB ALA 62 40.183 -1.961 -10, .252 1.00 36.71 MOLB

ATOM 2557 C ALA 62 38.229 -0.434 -9, .915 1.00 44.56 MOLB

ATOM 2558 O ALA 62 37.779 0.331 -10, .779 1.00 44.33 MOLB

ATOM 2559 N MΞT 63 38.327 -0.082 -8. .643 1.00 46.52 MOLB

ATOM 2560 CA MΞT 63 37.970 1.263 -8, .232 1.00 49.74 MOLB

ATOM 2561 CB MΞT 63 37.062 1.215 -7. .006 0.00 49.17 MOLB

ATOM 2562 CG MΞT 63 35.954 0.202 -7, .135 0.00 49.02 MOLB

ATOM 2563 SD MΞT 63 34.579 0.516 -6, .035 0.00 49.01 MOLB

ATOM 2564 CΞ MΞT 63 33.221 0.020 -7, .087 0.00 48.73 MOLB

ATOM 2565 C MΞT 63 39.263 2.002 -7, .901 1.00 53.17 MOLB

ATOM 2566 O MΞT 63 40.228 1.406 -7, .398 1.00 54.80 MOLB

ATOM 2567 N THR 64 39.279 3.302 -8, .188 1.00 56.00 MOLB ATOM 2568 CA THR 64 40.454 4.129 -7.923 1.00 58.83 MOLB

ATOM 2569 CB THR 64 40.188 5.628 -8.173 1.00 59.09 MOLB

ATOM 2570 OGl THR 64 38.915 5.789 -8.817 1.00 61.13 MOLB

ATOM 2571 CG2 THR 64 41.292 6.231 -9.053 1.00 57.60 MOLB

ATOM 2572 C THR 64 40.931 3.971 -6.482 1.00 59.24 MOLB

ATOM 2573 O THR 64 42.114 3.727 -6.239 1.00 60.98 MOLB

ATOM 2574 N GLY 65 40.016 4.120 -5.530 1.00 58.58 MOLB

ATOM 2575 CA GLY 65 40.386 3.977 -4.132 1.00 61.34 MOLB

ATOM 2576 C GLY 65 40.948 5.240 -3.497 1.00 63.25 MOLB

ATOM 2577 O GLY 65 40.838 6.337 -4.073 1.00 64.25 MOLB

ATOM 2578 N GLY 66 41.554 5.093 -2.318 1.00 62.45 MOLB

ATOM 2579 CA GLY 66 42.109 6.248 -1.629 1.00 63.20 MOLB

ATOM 2580 C GLY 66 43.594 6.447 -1.873 1.00 63.88 MOLB

ATOM 2581 O GLY 66 44.218 7.347 -1.281 1.00 64.82 MOLB

ATOM 2582 N GLY 67 44.154 5.610 -2.748 1.00 61.91 MOLB

ATOM 2583 CA GLY 67 45.566 5.695 -3.064 1.00 60.05 MOLB

ATOM 2584 C GLY 67 46.403 5.040 -1.981 1.00 59.83 MOLB

ATOM 2585 O GLY 67 45.909 4.183 -1.232 1.00 60.62 MOLB

ATOM 2586 N GLY 68 47.666 5.443 -1.888 1.00 57.38 MOLB

ATOM 2587 CA GLY 68 48.534 4.871 -0.879 1.00 53.32 MOLB

ATOM 2588 C GLY 68 48.920 3.438 -1.193 1.00 50.18 MOLB

ATOM 2589 O GLY 68 48.791 2.984 -2.331 1.00 51.88 MOLB

ATOM 2590 N LYS 69 49.399 2.729 -0.175 1.00 46.42 MOLB

ATOM 2591 CA LYS 69 49.820 1.339 -0.320 1.00 41.56 MOLB

ATOM 2592 CB LYS 69 50.758 0.962 0.828 1.00 41.11 MOLB

ATOM 2593 CG LYS 69 52.158 0.552 0.393 1.00 39.65 MOLB

ATOM 2594 CD LYS 69 52.218 -0.873 -0.124 1.00 41.11 MOLB

ATOM 2595 CΞ LYS 69 53.590 -1.201 -0.710 1.00 42.66 MOLB

ATOM 2596 NZ LYS 69 53.741 -2.638 -1.117 1.00 42.39 MOLB

ATOM 2597 C LYS 69 48.633 0.379 -0.338 1.00 37.72 MOLB

ATOM 2598 O LYS 69 48.753 -0.763 -0.772 1.00 37.86 MOLB

ATOM 2599 N LΞU 70 47.487 0.831 0.148 1.00 34.66 MOLB

ATOM 2600 CA LΞU 70 46.315 -0.019 0.168 1.00 31.64 MOLB

ATOM 2601 CB LΞU 70 45.194 0.626 0_*986 1.00 32.29 MOLB

ATOM 2602 CG LΞU 70 43.922 -0.217 1.117 1.00 31.96 MOLB

ATOM 2603 CDl LΞU 70 44.144 -1.393 2.053 1.00 27.62 MOLB

ATOM 2604 CD2 LΞU 70 42.796 0.672 1.614 1.00 30.59 MOLB

ATOM 2605 C LΞU 70 45.857 -0.234 -1.257 1.00 31.08 MOLB

ATOM 2606 O LΞU 70 45.648 -1.374 -1.668 1.00 29.64 MOLB

ATOM 2607 N THR 71 45.719 0.851 -2.020 1.00 29.94 MOLB

ATOM 2608 CA THR 71 45.278 0.713 -3.405 1.00 31.11 MOLB

ATOM 2609 CB THR 71 45.256 2.044 -4.141 1.00 30.09 MOLB

ATOM 2610 OGl THR 71 44.195 2.858 -3.619 1.00 32.83 MOLB

ATOM 2611 CG2 THR 71 45.025 1.814 -5.616 1.00 29.93 MOLB

ATOM 2612 C THR 71 46.176 -0.251 -4.173 1.00 30.99 MOLB

ATOM 2613 O THR 71 45.698 -1.032 -5.015 1.00 31.15 MOLB

ATOM 2614 N TYR 72 47.470 -0.188 -3.863 1.00 30.10 MOLB

ATOM 2615 CA TYR 72 48.496 -1.043 -4.450 1.00 27.46 MOLB

ATOM 2616 CB TYR 72 49.854 -0.692 -3.830 1.00 25.97 MOLB

ATOM 2617 CG TYR 72 50.985 -1.610 -4.219 1.00 30.34 MOLB

ATOM 2618 CDl TYR 72 51.798 ^' -1.334 -5.319 1.00 34.27 MOLB

ATOM 2619 CΞl TYR 72 52.818 -2.204 -5.708 1.00 31.77 MOLB

ATOM 2620 CD2 TYR 72 51.226 -2.788 -3.513 1.00 33.20 MOLB

ATOM 2621 CΞ2 TYR 72 52.240 -3.668 -3.893 1.00 34.28 MOLB

ATOM 2622 CZ TYR 72 53.029 -3.370 -4.989 1.00 34.60 MOLB ATOM 2623 OH TYR 72 54.030 -4.249 -5.355 1.00 36.22 MOLB

ATOM 2624 C TYR 72 48.166 -2.516 -4.172 1.00 27.64 MOLB

ATOM 2625 O TYR 72 48.126 -3.349 -5.078 1.00 29.75 MOLB

ATOM 2626 N GLU 73 47.909 -2.850 -2.917 1.00 27.06 MOLB

ATOM 2627 CA GLU 73 47.608 -4.234 -2.585 1.00 27.96 MOLB

ATOM 2628 CB GLU 73 47.664 -4.422 -1.072 1.00 28.51 MOLB

ATOM 2629 CG GLU 73 49.021 -4.082 -0.514 1.00 31.10 MOLB

ATOM 2630 CD GLU 73 50.067 -5.160 -0.799 1.00 36.73 MOLB

ATOM 2631 OBI GLU 73 51.236 -4.962 -0.386 1.00 39.60 MOLB

ATOM 2632 OΞ2 GLU 73 49.713 -6.198 -1.424 1.00 35.16 MOLB

ATOM 2633 C GLU 73 46.273 -4.712 -3.152 1.00 28.08 MOLB

ATOM 2634 O GLU 73 46.149 -5.864 -3.579 1.00 25.59 MOLB

ATOM 2635 N ILΞ 74 45.281 -3.831 -3.162 1.00 27.47 MOLB

ATOM 2636 CA ILΞ 74 43.990 -4.190 -3.708 1.00 28.17 MOLB

ATOM 2637 CB ILΞ 74 42.974 -3.053 -3.470 1.00 27.36 MOLB

ATOM 2638 CG2 ILΞ 74 41.665 -3.331 -4.190 1.00 24.02 MOLB

ATOM 2639 CGI ILΞ 74 42.695 -2.937 -1.970 1.00 24.91 MOLB

ATOM 2640 CDl ILΞ 74 42.091 -1.638 -1.593 1.00 23.24 MOLB

ATOM 2641 C ILΞ 74 44.171 -4.486 -5.204 1.00 30.50 MOLB

ATOM 2642 O ILΞ 74 43.682 -5.513 -5.704 1.00 31.60 MOLB

ATOM 2643 N ASN 75 44.900 -3.619 -5.912 1.00 28.79 MOLB

ATOM 2644 CA ASN 75 45.144 -3.827 -7.340 1.00 27.66 MOLB

ATOM 2645 CB ASN 75 45.834 -2.610 -7.964 1.00 24.27 MOLB

ATOM 2646 CG ASN 75 44.887 -1.468 -8.180 1.00 24.10 MOLB

ATOM 2647 OD1 ASN 75 43.688 -1.616 -8.006 1.00 29.51 MOLB

ATOM 2648 ND2 ASN 75 45.413 -0.324 -8.581 1.00 23.88 MOLB

ATOM 2649 C ASN 75 45.981 -5.093 -7.587 1.00 28.42 MOLB

ATOM 2650 O ASN 75 45.689 -5.892 -8.488 1.00 26.75 MOLB

ATOM 2651 N LYS 76 47.020 -5.292 -6.791 1.00 26.13 MOLB

ATOM 2652 CA LYS 76 47.828 -6.473 -6.972 1.00 26.60 MOLB

ATOM 2653 CB LYS 76 48.929 -6.518 -5.924 1.00 28.42 MOLB

ATOM 2654 CG LYS 76 49.799 -7.751 -5.999 1.00 30.71 MOLB

ATOM 2655 CD LYS 76 50.891 -7.692 -4.948 1.00 34.74 MOLB

ATOM 2656 CE LYS 76 51.796 -8.922 -5.039 1.00 37.46 MOLB

ATOM 2657 NZ LYS 76 52.838 -8.958 -3.977 1.00 39.03 MOLB

ATOM 2658 C LYS 76 46.926 -7.707 -6.852 1.00 27.93 MOLB

ATOM 2659 O LYS 76 46.964 -8.602 -7.695 1.00 28.74 MOLB

ATOM 2660 N SΞR 77 46.086 -7.744 -5.821 1.00 29.63 MOLB

ATOM 2661 CA SΞR 77 45.194 -8.881 -5.637 1.00 28.45 MOLB

ATOM 2662 CB SΞR 77 44.406 -8.739 -4.348 1.00 30.67 MOLB

ATOM 2663 OG SΞR 77 45.276 -8.868 -3.244 1.00 34.69 MOLB

ATOM 2664 C SΞR 77 44.248 -9.069 -6.805 1.00 27.87 MOLB

ATOM 2665 O SΞR 77 44.074 -10.191 -7.289 1.00 25.98 MOLB

ATOM 2666 N LΞU 78 43.624 -7.982 -7.254 1.00 27.17 MOLB

ATOM 2667 CA LΞU 78 42.722 -8.078 -8.391 1.00 25.49 MOLB

ATOM 2668 CB LΞU 78 42.191 -6.709 -8.785 1.00 24.21 MOLB

ATOM 2669 CG LΞU 78 41.258 -6.074 -7.755 1.00 27.88 MOLB

ATOM 2670 CDl LΞU 78 40.879 -4.678 -8.202 1.00 25.11 MOLB

ATOM 2671 CD2 LEU 78 40.021 -6.941 -7.578 1.00 26.15 MOLB

ATOM 2672 C LEU 78 43.502 -8.679 -9.542 1.00 27.64 MOLB

ATOM 2673 O LEU 78 43.078 -9.686 -10.121 1.00 31.02 MOLB,

ATOM 2674 N ALA 79 44.659 -8.091 -9.857 1.00 26.84 MOLB

ATOM 2675 CA ALA 79 45.479 -8.598 -10.957 1.00 28.52 MOLB

ATOM 2676 CB ALA 79 46.771 -7.795 -11.090 1.00 27.89 MOLB

ATOM 2677 C ALA 79 45.786 -10.098 -10.830 1.00 29.02 MOLB ATOM 2678 O ALA 79 45,.703 -10,.836 -11,.821 1.00 28,.94 MOLB

ATOM 2679 N ARG 80 46. .124 -10, .565 -9 .631 1.00 28, .63 MOLB

ATOM 2680 CA ARG 80 46. .403 -11, .985 ^' -9, .472 1.00 31, .40 MOLB

ATOM 2681 CB ARG 80 46, .885 -12, .286 -8, .048 1.00 35, .37 MOLB

ATOM 2682 CG ARG 80 48, .010 -11, .362 -7, .628 1.00 44, .78 MOLB

ATOM 2683 CD ARG 80 48, .795 -11, .888 -6, .448 1.00 46, .75 MOLB

ATOM 2684 NΞ ARG 80 49, .448 -13, .143 -6, .776 1.00 48, .41 MOLB

ATOM 2685 CZ ARG 80 49, .966 -13, .957 -5, .870 1.00 53, .26 MOLB

ATOM 2686 NHl ARG 80 49, .903 -13, .636 -4, .586 1.00 54, .23 MOLB

ATOM 2687 NH2 ARG 80 50, .532 -15, .097 -6, .254 1.00 57, .15 MOLB

ATOM 2688 C ARG 80 45. .137 -12, .768 -9, .761 1.00 30, .78 MOLB

ATOM 2689 O ARG 80 45, .108 -13, .641 -10, .631 1.00 31, .37 MOLB

ATOM 2690 N ALA 81 44. .081 -12, .436 -9, .027 1.00 30, .07 MOLB

ATOM 2691 CA ALA 81 42, .802 -13, .110 -9, .193 1.00 27, .98 MOLB

ATOM 2692 CB ALA 81 41, .720 -12, .376 -8, .433 1.00 25, .41 MOLB

ATOM 2693 C ALA 81 42. .450 -13, .184 -10, .665 1.00 27, .56 MOLB

ATOM 2694 O ALA 81 42, .196 -14, .272 -11, .202 1.00 28, .92 MOLB

ATOM 2695 N ALA 82 42, .453 -12, .018 -11, .313 1.00 27, .65 MOLB

ATOM 2696 CA ALA 82 42, .136 -11, .898 -12, .737 1.00 26, .59 MOLB

ATOM 2697 CB ALA 82 42. .324 -10, .478 -13, .185 1.00 25, .77 MOLB

ATOM 2698 C ALA 82 43. .016 -12, .817 -13, .561 1.00 25, .48 MOLB

ATOM 2699 O ALA 82 42. .539 -13, .639 -14, .343 1.00 26. .18 MOLB

ATOM 2700 N SΞR 83 44, .315 -12, .681 -13, .372 1.00 26, .55 MOLB

ATOM 2701 CA SΞR 83 45, .265 -13, .502 -14, .087 1.00 28. .66 MOLB

ATOM 2702 CB SΞR 83 46. .668 -13, .284 -13, .542 1.00 31, .02 MOLB

ATOM 2703 OG SΞR 83 47. .524 -14, .304 -14, .013 1.00 31. .76 MOLB

ATOM 2704 C SΞR 83 44, .927 -14, .974 -13, .976 1.00 30, .32 MOLB

ATOM 2705 O SER 83 44. .991 -15, .708 -14, .956 1.00 32, .66 MOLB

ATOM 2706 N GLN 84 44, .565 -15, .417 -12, .783 1.00 30, .23 MOLB

ATOM 2707 CA GLN 84 44. .230 -16. .808 -12. .603 1.00 31, .01 MOLB

ATOM 2708 CB GLN 84 44, .221 -17, .161 -11, .123 1.00 35, .34 MOLB

ATOM 2709 CG GLN 84 45, .613 -17, .250 -10, .561 1.00 41, .39 MOLB

ATOM 2710 CD GLN 84 45, .694 -16, .900 -9, .101 1.00 42, .06 MOLB

ATOM 2711 OΞl GLN 84 46, .788 -16, ■ oOo — o ■ .553 1.00 45, .09 MOLB

ATOM 2712 NΞ2 GLN 84 44, .546 -16. .698 -8, .460 1.00 45, .27 MOLB

ATOM 2713 C GLN 84 42, .908 -17. .197 -13, .214 1.00 31, .11 MOLB

ATOM 2714 O GLN 84 42, .801 -18, .277 -13, .774 1.00 34, .09 MOLB

ATOM 2715 N ALA 85 41, .894 -16, .345 -13. .110 1.00 29, .20 MOLB

ATOM 2716 CA ALA 85 40. .590 -16, .698 -13, .652 1.00 27, .14 MOLB

ATOM 2717 CB ALA 85 39. .513 -15, .855 -13. .006 1.00 28, .39 MOLB

ATOM 2718 C ALA 85 40. .567 -16, .539 -15, .160 1.00 27, .83 MOLB

ATOM 2719 O ALA 85 39. .674 -17, .057 -15. .849 1.00 25. .31 MOLB

ATOM 2720 N GLY 86 41, .572 -15, .820 -15, .659 1.00 27, .87 MOLB

ATOM 2721 CA GLY 86 41, .707 -15, .577 -17, .086 1.00 28, .06 MOLB

ATOM 2722 C GLY 86 40, .705 -14. .574 -17, .609 1.00 28, .81 MOLB

ATOM 2723 O GLY 86 40, .294 -14. .668 -18, .765 1.00 33. .19 MOLB

ATOM 2724 N ILΞ 87 40, .309 -13. .607 -16, .787 1.00 25. .79 MOLB

ATOM 2725 CA ILΞ 87 39, .340 -12, .600 -17, .208 1.00 24, .63 MOLB

ATOM 2726 CB ILΞ 87 38, .132 -12, .598 -16, .261 1.00 23, .31 MOLB

ATOM 2727 CG2 ILE 87 37, .641 -14, .036 -16, .074 1.00 22, .43 MOLB

ATOM 2728 CGI ILΞ 87 38. .529 -11, .981 -14, .914 1.00 22. .94 MOLB

ATOM 2729 CDl ILΞ 87 37. .371 -11. .598 -14, .014 1.00 18. .81 MOLB

ATOM 2730 C ILE 87 39, .971 -11. .210 -17. .227 1.00 24. .41 MOLB

ATOM 2731 O ILE 87 40, .846 -10. .903 -16. .428 1.00 23. .27 MOLB

ATOM 2732 N PRO 88 39, .511 -10. .333 -18. .138 1.00 24. .74 MOLB ATOM 2733 CD PRO 88 38.,430 -10.498 -19..124 1.00 24..53 MOLB

ATOM 2734 CA PRO 88 40. ,078 -8.981 -18. .221 1.00 23. .45 MOLB

ATOM 2735 CB PRO 88 39. .305 -8.335 -19. .365 1.00 21. .44 MOLB

ATOM 2736 CG PRO 88 38. .819 -9.479 -20. .175 1.00 22, .30 MOLB

ATOM 2737 C PRO 88 39. .954 -8.169 -16. .942 1.00 25, .59 MOLB

ATOM 2738 O PRO 88 39. .149 -8.479 -16. .054 1.00 27, .40 MOLB

ATOM 2739 N LΞU 89 40. .745 -7.104 -16. .867 1.00 23, .55 MOLB

ATOM 2740 CA LΞU 89 40. .747 -6.211 -15. .725 1.00 20. .08 MOLB

ATOM 2741 CB LΞU 89 41. .812 -6.654 -14. .723 1.00 20. .87 MOLB

ATOM 2742 CG LΞU 89 42. .292 -5.578 -13. .743 1.00 23, .38 MOLB

ATOM 2743 CDl LΞU 89 41. .176 -5.175 -12. .810 1.00 28. .58 MOLB

ATOM 2744 CD2 LΞU 89 43. ,448 -6.100 -12. .954 1.00 26. .82 MOLB

ATOM 2745 C LΞU 89 41. ,001 -4.753 -16. .130 1.00 20. .62 MOLB

ATOM 2746 O LΞU 89 41. ,984 -4.434 -16. .813 1.00 20. .64 MOLB

ATOM 2747 N ALA 90 40. ,114 -3.875 -15. ,671 1.00 18. .62 MOLB

ATOM 2748 CA ALA 90 40. ,222 -2.446 -15. ,944 1.00 16. .94 MOLB

ATOM 2749 CB ALA 90 38. ,857 -1.910 -16. .384 1.00 15. .18 MOLB

ATOM 2750 C ALA 90 40. ,679 -1.752 -14. ,653 1.00 18. .44 MOLB

ATOM 2751 O ALA 90 40. ,135 -2.022 -13. .586 1.00 19. .61 MOLB

ATOM 2752 N VAL 91 41. ,682 -0.882 -14. .725 1.00 16. .44 MOLB

ATOM 2753 CA VAL 91 42. ,143 -0.202 -13. .517 1.00 14. .27 MOLB

ATOM 2754 CB VAL 91 43. ,638 0.197 -13. .603 1.00 12. .61 MOLB

ATOM 2755 CGI VAL 91 44. .511 -1.041 -13, .819 1.00 9. .28 MOLB

ATOM 2756 CG2 VAL 91 43. .844 1.223 -14, .715 1.00 10. .12 MOLB

ATOM 2757 C VAL 91 41. .351 1.074 -13, .280 1.00 18, .77 MOLB

ATOM 2758 O VAL 91 40. .568 1.489 -14, .123 1.00 20, .66 MOLB

ATOM 2759 N GLY 92 41. .547 1.701 -12, .127 1.00 22, .33 MOLB

ATOM 2760 CA GLY 92 40. .847 2.940 -11, .866 1.00 22, .90 MOLB

ATOM 2761 C GLY 92 41. .526 4.040 -12, .657 1.00 26. .61 MOLB

ATOM 2762 O GLY 92 42, .530 3.802 -13. .327 1.00 25. .45 MOLB

ATOM 2763 N SΞR 93 40. .984 5.252 -12. .590 1.00 28. .91 MOLB

ATOM 2764 CA SΞR 93 41. .570 6.376 -13, .315 1.00 31, .13 MOLB

ATOM 2765 CB SΞR 93 40. .811 7.663 -12, .983 1.00 30. .25 MOLB

ATOM 7 6 OG SΞR 93 41. .445 8.804 -13, .527 1.00 31, .17 MOLB

ATOM 2767 C SΞR 93 43. .050 6.518 -12, .953 1.00 33, .99 MOLB

ATOM 2768 O SΞR 93 43, .410 6.523 -11, .773 1.00 35, .67 MOLB

ATOM 2769 N GLN 94 43, .900 6.629 -13, .977 1.00 33, .89 MOLB

ATOM 2770 CA GLN 94 45, .345 6.768 -13, .790 1.00 32, .10 MOLB

ATOM 2771 CB GLN 94 46. .103 5.978 -14, .858 1.00 28, .64 MOLB

ATOM 2772 CG GLN 94 45, .730 4.509 -14, .919 1.00 24, .99 MOLB

ATOM 2773 CD GLN 94 46, .296 3.816 -16, .126 1.00 22, .16 MOLB

ATOM 2774 OΞl GLN 94 47, .472 3.494 -16, .176 1.00 26, .57 MOLB

ATOM 2775 NΞ2 GLN 94 45, .453 3.582 -17, .114 1.00 21, .25 MOLB

ATOM 2776 C GLN 94 45, .770 8.220 -13, .887 1.00 35 .29 MOLB

ATOM 2777 O GLN 94 46, .961 8.506 -13, .944 1.00 38 .11 MOLB

ATOM 2778 N MΞT 95 44, .810 9.140 -13 .922 1.00 38 .16 MOLB

ATOM 2779 CA MΞT 95 45 .118 10.569 -14 .049 1.00 40 .53 MOLB

ATOM 2780 CB MΞT 95 43 .808 11.365 -14 .064 1.00 39 .30 MOLB

ATOM 2781 CG MΞT 95 43 .925 12.824 -14 .461 1.00 42 .62 MOLB

ATOM 2782 SD MΞT 95 44, .521 13.153 -16 .139 1.00 50 .71 MOLB

ATOM 2783 CΞ MΞT 95 46 .226 13.344 -15 .774 1.00 44 .76 MOLB

ATOM 2784 C MΞT 95 46, .056 11.070 -12, .941 1.00 42, .80 MOLB

ATOM 2785 O MΞT 95 47, .097 11.682 -13, .216 1.00 42, .44 MOLB

ATOM 2786 N SΞR 96 45, .680 10.812 -11, .691 1.00 43, .53 MOLB

ATOM 2787 CA SΞR 96 46, .479 11.213 -10, .539 1.00 42, .58 MOLB ATOM 2788 CB SΞR 96 45.,830 10.735 -9.246 1.00 44..49 MOLB

ATOM 2789 OG SΞR 96 45. ,802 9.318 -9.214 1.00 50. .99 MOLB

ATOM 2790 C SΞR 96 47. ,869 10.599 -10.638 1.00 41, .14 MOLB

ATOM 2791 O SΞR 96 48. ,868 11.270 -10.420 1.00 44, .66 MOLB

ATOM 2792 N ALA 97 47. ,943 9.313 -10.951 1.00 39, .15 MOLB

ATOM 2793 CA ALA 97 49. ,234 8.643 -11.058 1.00 36. .10 MOLB

ATOM 2794 CB ALA 97 49. ,045 7.143 -11.282 1.00 37. .79 MOLB

ATOM 2795 C ALA 97 50. ,021 9.239 -12.203 1.00 35. ,15 MOLB

ATOM 2796 O ALA 97 51. ,212 9.005 -12.332 1.00 34. ,17 MOLB

ATOM 2797 N LΞU 98 49. ,359 10.019 -13.041 1.00 35. ,10 MOLB

ATOM 2798 CA LΞU 98 50. ,052 10.619 -14.160 1.00 36. .49 MOLB

ATOM 2799 CB LΞU 98 49. ,054 11.062 -15.227 1.00 34. .68 MOLB

ATOM 2800 CG LΞU 98 49. ,236 10.426 -16.611 1.00 32. .91 MOLB

ATOM 2801 CDl LEU 98 49. ,204 8.908 -16.535 1.00 30. .16 MOLB

ATOM 2802 CD2 LΞU 98 48. .127 10.928 -17.514 1.00 32, .28 MOLB

ATOM 2803 C LΞU 98 50. .911 11.790 -13.703 1.00 39, .42 MOLB

ATOM 2804 O LΞU 98 52. .039 11.932 -14.167 1.00 42. .30 MOLB

ATOM 2805 N LYS 99 50. .385 12.615 -12.795 1.00 43. .22 MOLB

ATOM 2806 CA LYS 99 51. ,111 13.774 -12.259 1.00 46. .00 MOLB

ATOM 2807 CB LYS 99 50. ,134 14.879 -11.816 1.00 47, .42 MOLB

ATOM 2808 CG LYS 99 48. .672 14.643 -12.149 1.00 48, .69 MOLB

ATOM 2809 CD LYS 99 48. .318 15.131 -13.550 1.00 51. .53 MOLB

ATOM 2810 CΞ LYS 99 46. ,874 15.664 -13.565 1.00 55, .55 MOLB

ATOM 2811 NZ LYS 99 46. .449 16.372 -14.814 1.00 51. .89 MOLB

ATOM 2812 C LYS 99 52. .001 13.408 -11.068 1.00 48, .66 MOLB

ATOM 2813 O LYS 99 53. .007 14.080 -10.802 1.00 51, .15 MOLB

ATOM 2814 N ASP 100 51. .634 12.362 -10.334 1.00 47, .19 MOLB

ATOM 2815 CA ASP 100 52, .427 11.952 -9.185 1.00 48, .37 MOLB

ATOM 2816 CB ASP 100 51, .525 11.802 -7.966 1.00 51, .43 MOLB

ATOM 2817 CG ASP 100 52, .231 11.147 -6.787 1.00 56, .50 MOLB

ATOM 2818 OD1 ASP 100 53, .489 11.186 -6.729 1.00 55, .44 MOLB

ATOM 2819 OD2 ASP 100 51, .516 10.591 -5.916 1.00 59, .42 MOLB

ATOM 2820 C ASP 100 53, .179 10.657 -9.449 1.00 49, .05 MOLB

ATOM 2821 O ASP 100 52, .640 9_* 3 -9.264 1.00 48, .07 MOLB

ATOM 2822 N PRO 101 54. .454 10.756 -9.866 1.00 49, .59 MOLB

ATOM 2823 CD PRO 101 55, .230 11.988 -10.102 1.00 49, .21 MOLB

ATOM 2824 CA PRO 101 55, .274 9.571 -10.161 1.00 47, .89 MOLB

ATOM 2825 CB PRO 101 56, .664 10.166 -10.392 1.00 47, .09 MOLB

ATOM 2826 CG PRO 101 56, .345 11.491 -11.015 1.00 48, .01 MOLB

ATOM 2827 C PRO 101 55, .259 8.549 -9.045 1.00 42, .54 MOLB

ATOM 2828 O PRO 101 55. .586 7.379 -9.246 1.00 40, .90 MOLB

ATOM 2829 N SΞR 102 54, .891 9.008 -7.862 1.00 39, .91 MOLB

ATOM 2830 CA SΞR 102 54, .851 8.119 -6.718 1.00 43, .27 MOLB

ATOM 2831 CB SΞR 102 54, .665 8.921 -5.437 1.00 45, .95 MOLB

ATOM 2832 OG SΞR 102 54, .325 8.034 -4.385 1.00 53, .98 MOLB

ATOM 2833 C SΞR 102 53, .754 7.062 -6.784 1.00 42, .00 MOLB

ATOM 2834 O SΞR 102 54, .022 5.869 -6.594 1.00 41, .13 MOLB

ATOM 2835 N GLU 103 52, .529 7.530 -7.041 1.00 41, .16 MOLB

ATOM 2836 CA GLU 103 51, .321 6.702 -7.113 1.00 41, .14 MOLB

ATOM 2837 CB GLU 103 50, .093 7.608 -7.095 1.00 40, .68 MOLB

ATOM 2838 CG GLU 103 48, .784 6.877 -6.954 1.00 48, .28 MOLB

ATOM 2839 CD GLU 103 47 .576 7.816 -7.094 1.00 55 .28 MOLB

ATOM 2840 OΞl GLU 103 46 .423 7.315 -7.009 1.00 55, .10 MOLB

ATOM 2841 OΞ2 GLU 103 47 .787 9.050 -7.286 1.00 56, .26 MOLB

ATOM 2842 C GLU 103 51 .255 5.779 -8.329 1.00 42, .20 MOLB ATOM 2843 O GLU 103 50.390 4.905 -8.433 1.00 43.04 MOLB

ATOM 2844 N ARG 104 52.187 5.985 -9.246 1.00 41.42 MOLB

ATOM 2845 CA ARG 104 52.262 5.210 -10.472 1.00 37.88 MOLB

ATOM 2846 CB ARG 104 53.406 5.773 -11.331 1.00 39.02 MOLB

ATOM 2847 CG ARG 104 53.584 5.133 -12.698 1.00 39.54 MOLB

ATOM 2848 CD ARG 104 54.637 5.876 -13.529 1.00 42.58 MOLB

ATOM 2849 NΞ ARG 104 54.174 7.172 -14.045 1.00 46.16 MOLB

ATOM 2850 CZ ARG 104 53.841 7.410 -15.320 1.00 49.43 MOLB

ATOM 2851 NHl ARG 104 53.431 8.635 -15.671 1.00 48.94 MOLB

ATOM 2852 NH2 ARG 104 53.927 6.444 -16.247 1.00 41.74 MOLB

ATOM 2853 C ARG 104 52.466 3.705 -10.191 1.00 37.35 MOLB

ATOM 2854 O ARG 104 51.930 2.858 -10.905 1.00 36.73 MOLB

ATOM 2855 N LΞU 105 53.221 3.376 -9.147 1.00 36.97 MOLB

ATOM 2856 CA LΞU 105 53.492 1.974 -8.819 1.00 38.35 MOLB

ATOM 2857 CB LΞU 105 54.378 1.882 -7.565 1.00 40.02 MOLB

ATOM 2858 CG LEU 105 55.418 3.005 -7.409 1.00 42.52 MOLB

ATOM 2859 CDl LΞU 105 55.814 3.204 -5.935 1.00 39.32 MOLB

ATOM 2860 CD2 LΞU 105 56.616 2.698 -8.276 1.00 43.43 MOLB

ATOM 2861 C LΞU 105 52.199 1.180 -8.606 1.00 36.14 MOLB

ATOM 2862 O LΞU 105 52.110 0.010 -8.968 1.00 35.48 MOLB

ATOM 2863 N SΞR 106 51.198 1.830 -8.022 1.00 36.75 MOLB

ATOM 2864 CA SΞR 106 49.899 1.203 -7.747 1.00 35.62 MOLB

ATOM 2865 CB SΞR 106 48.958 2.210 -7.077 1.00 37.48 MOLB

ATOM 2866 OG SΞR 106 49.322 2.425 -5.729 1.00 42.68 MOLB

ATOM 2867 C SΞR 106 49.208 0.610 -8.972 1.00 34.82 MOLB

ATOM 2868 O SΞR 106 48.328 -0.251 -8.830 1.00 33.60 MOLB

ATOM 2869 N TYR 107 49.598 1.077 -10.163 1.00 31.44 MOLB

ATOM 2870 CA TYR 107 49.032 0.571 -11.411 1.00 25.37 MOLB

ATOM 2871 CB TYR 107 48.637 1.728 -12.327 1.00 24.36 MOLB

ATOM 2872 CG TYR 107 47.582 2.593 -11.705 1.00 26.41 MOLB

ATOM 2873 CDl TYR 107 47.910 3.551 -10.755 1.00 28.49 MOLB

ATOM 2874 CΞl TYR 107 46.918 4.229 -10.053 1.00 31.24 MOLB

ATOM 2875 CD2 TYR 107 46.234 2.350 -11.952 1.00 29.87 MOLB

ATOM 2876 CΞ2 TYR 107 45.239 3.017 -11.260 1.00 31.47 MOLB

ATOM 2877 CZ TYR 107 45.582 3.949 -10.308 1.00 30.99 MOLB

ATOM 2878 OH TYR 107 44.577 4.560 -9.591 1.00 34.18 MOLB

ATOM 2879 C TYR 107 49.997 -0.373 -12.125 1.00 24.18 MOLB

ATOM 2880 O TYR 107 49.583 -1.398 -12.647 1.00 21.85 MOLB

ATOM 2881 N GLU 108 51.287 -0.052 -12.125 1.00 23.78 MOLB

ATOM 2882 CA GLU 108 52.272 -0.906 -12.793 1.00 22.27 MOLB

ATOM 2883 CB GLU 108 53.677 -0.318 -12.667 1.00 25.03 MOLB

ATOM 2884 CG GLU 108 53.905 0.951 -13.451 1.00 31.02 MOLB

ATOM 2885 CD GLU 108 55.131 1.695 -12.979 1.00 34.00 MOLB

ATOM 2886 OE1 GLU 108 55.445 2.750 -13.569 1.00 38.28 MOLB

ATOM 2887 OΞ2 GLU 108 55.771 1.234 -12.010 1.00 38.88 MOLB

ATOM 2888 C GLU 108 52.292 -2.300 -12.205 1.00 23.03 MOLB

ATOM 2889 O GLU 108 52.644 -3.270 -12.889 1.00 24.09 MOLB

ATOM 2890 N ILΞ 109 51.916 -2.411 -10.935 1.00 23.33 MOLB

ATOM 2891 CA ILΞ 109 51.917 -3.708 -10.267 1.00 26.39 MOLB

ATOM 2892 CB ILΞ 109 51.633 -3.547 -8.764 1.00 24.08 MOLB

ATOM 2893 CG2 ILΞ 109 50.242 -2.973 -8.562 1.00 22.23 MOLB

ATOM 2894 CGI ILΞ 109 51.768 -4.909 -8.064 1.00 24.39 MOLB

ATOM 2895 CDl ILΞ 109 53.114 -5.562 -8.246 1.00 21.92 MOLB

ATOM 2896 C ILΞ 109 50.898 -4.665 -10.891 1.00 26.97 MOLB

ATOM 2897 O ILΞ 109 51.034 -5.903 -10.815 1.00 26.23 MOLB ATOM 2898 N VAL 110 49.882 -4.078 -11..513 1.00 28.71 MOLB

ATOM 2899 CA VAL 110 48.821 -4.832 -12. .167 1.00 31.06 MOLB

ATOM 2900 CB VAL 110 47.689 -3.885 -12, .627 1.00 30.32 MOLB

ATOM 2901 CGI VAL 110 46.557 -4.675 -13, .187 1.00 31.15 MOLB

ATOM 2902 CG2 VAL 110 47.205 -3.055 -11, .463 1.00 32.48 MOLB

ATOM 2903 C VAL 110 49.357 -5.599 -13, .378 1.00 32.50 MOLB

ATOM 2904 O VAL 110 48.980 -6.749 -13, .615 1.00 33.39 MOLB

ATOM 2905 N ARG 111 50.244 -4.970 -14, .139 1.00 31.66 MOLB

ATOM 2906 CA ARG 111 50.820 -5.640 -15. .295 1.00 30.28 MOLB

ATOM 2907 CB ARG 111 51.393 -4.604 -16. .276 1.00 27.43 MOLB

ATOM 2908 CG ARG 111 52.105 -5.197 -17. .475 1.00 20.15 MOLB

ATOM 2909 CD ARG 111 51.287 -6.292 -18. .136 1.00 20.02 MOLB

ATOM 2910 NΞ ARG 111 50.221 -5.795 -19. .006 1.00 15.22 MOLB

ATOM 2911 CZ ARG 111 49.229 -6.553 -19, .468 1.00 16.39 MOLB

ATOM 2912 NHl ARG 111 48.305 -6.036 -20, .264 1.00 12.33 MOLB

ATOM 2913 NH2 ARG 111 49.149 -7.828 -19, .111 1.00 11.71 MOLB

ATOM 2914 C ARG 111 51.897 -6.644 -14, .857 1.00 31.31 MOLB

ATOM 2915 O ARG 111 52.103 -7.671 -15. .518 1.00 31.24 MOLB

ATOM 2916 N LYS 112 52.577 -6.360 -13, .738 1.00 31.16 MOLB

ATOM 2917 CA LYS 112 53.603 -7.277 -13, .211 1.00 28.34 MOLB

ATOM 2918 CB LYS 112 54.342 -6.695 -12, .011 1.00 22.93 MOLB

ATOM 2919 CG LYS 112 54.835 -5.290 -12, .189 1.00 22.92 MOLB

ATOM 2920 CD LYS 112 56.091 -5.031 -11, .364 1.00 20.95 MOLB

ATOM 2921 CB LYS 112 56.600 -3.636 -11, .617 1.00 23.49 MOLB

ATOM 2922 NZ LYS 112 58.009 -3.510 -11, .197 1.00 27.32 MOLB

ATOM 2923 C LYS 112 52.951 -8.571 -12, .757 1.00 30.41 MOLB

ATOM 2924 O LYS 112 53.453 -9.661 -13, .012 1.00 30.19 MOLB

ATOM 2925 N GLU 113 51.823 -8.447 -12, .074 1.00 31.03 MOLB

ATOM 2926 CA GLU 113 51.160 -9.637 -11, .581 1.00 33.47 MOLB

ATOM 2927 CB GLU 113 50.210 -9.292 -10, .445 1.00 39.02 MOLB

ATOM 2928 CG GLU 113 50.242 -10.355 -9. .366 1.00 46.93 MOLB

ATOM 2929 CD GLU 113 51.499 -10.280 -8, .495 1.00 48.96 MOLB

ATOM 2930 OΞl GLU 113 51.726 -11.236 -7, .714 1.00 49.97 MOLB

ATOM 2931 OΞ2 GLU 113 52.249 -9.268 -8, .597 1.00 47.89 MOLB

ATOM 2932 C GLU 113 50.406 -10.391 -12, .657 1.00 31.82 MOLB

ATOM 2933 O GLU 113 50.323 -11.615 -12, .626 1.00 32.25 MOLB

ATOM 2934 N ASN 114 49.855 -9.659 -13. .617 1.00 30.67 MOLB

ATOM 2935 CA ASN 114 49.114 -10.291 -14, .700 1.00 30.35 MOLB

ATOM 2936 CB ASN 114 47.679 -9.796 -14, .699 1.00 27.10 MOLB

ATOM 2937 CG ASN 114 46.845 -10.516 -15, .704 1.00 29.02 MOLB

ATOM 2938 OD1 ASN 114 45.716 -10.134 -16, .003 1.00 32.33 MOLB

ATOM 2939 ND2 ASN 114 47.403 -11.587 -16, .246 1.00 35.00 MOLB

ATOM 2940 C ASN 114 49.769 -9.987 -16, .041 1.00 30.73 MOLB

ATOM 2941 O ASN 114 49.293 -9.126 -16, .795 1.00 32.01 MOLB

ATOM 2942 N PRO 115 50.854 -10.707 -16, .392 1.00 29.56 MOLB

ATOM 2943 CD PRO 115 51.451 -11.837 -15, .671 1.00 27.65 MOLB

ATOM 2944 CA PRO 115 51.579 -10.488 -17, .650 1.00 29.84 MOLB

ATOM 2945 CB PRO 115 52.869 -11.242 -17, .421 1.00 26.27 MOLB

ATOM 2946 CG PRO 115 52.375 -12.448 -16, .716 1.00 23.33 MOLB

ATOM 2947 C PRO 115 50.931 -10.914 -18, .957 1.00 26.29 MOLB

ATOM 2948 O PRO 115 51.277 -10.405 -20, .015 1.00 24.92 MOLB

ATOM 2949 N ASN 116 50.026 -11.870 -18, .875 1.00 23.66 MOLB

ATOM 2950 CA ASN 116 49.398 -12.377 -20, .076 1.00 26.37 MOLB

ATOM 2951 CB ASN 116 49.582 -13.888 -20, .135 1.00 31.25 MOLB

ATOM 2952 CG ASN 116 51.018 -14.300 -19, .881 1.00 35.26 MOLB ATOM 2953 OD1 ASN 116 51,.280 -15.417 -19,.429 1.00 40.67 MOLB

ATOM 2954 ND2 ASN 116 51, .962 -13.403 -20, .184 1.00 32 .83 MOLB

ATOM 2955 C ASN 116 47, .917 -12.052 -20, .186 1.00 25 .28 MOLB

ATOM 2956 O ASN 116 47, .260 -12.520 -21, .104 1.00 29 .59 MOLB

ATOM 2957 N GLY 117 47, .381 -11.254 -19, .274 1.00 22, .57 MOLB

ATOM 2958 CA GLY 117 45, .978 -10.947 -19. .349 1.00 18, .26 MOLB

ATOM 2959 C GLY 117 45, .661 -9.596 -19, .964 1.00 20, .44 MOLB

ATOM 2960 O GLY 117 46. .501 -8.699 -20, .011 1.00 21, .44 MOLB

ATOM 2961 N LΞU 118 44, .425 -9.462 -20, .444 1.00 19, .30 MOLB

ATOM 2962 CA LΞU 118 43, .930 -8.225 -21, .034 1.00 16, .75 MOLB

ATOM 2963 CB LΞU 118 42, .602 -8.466 -21, .739 1.00 15, .52 MOLB

ATOM 2964 CG LΞU 118 42, .674 -9.242 -23. .049 1.00 12, .49 MOLB

ATOM 2965 CDl LΞU 118 41, .274 -9.460 -23. .630 1.00 6, .77 MOLB

ATOM 2966 CD2 LΞU 118 43, .551 -8.448 -24, .007 1.00 10, .05 MOLB

ATOM 2967 C LΞU 118 43, .699 -7.258 -19, .896 1.00 15, .80 MOLB

ATOM 2968 O LΞU 118 43, .018 -7.591 -18. .930 1.00 16, .42 MOLB

ATOM 2969 N ILΞ 119 44. .243 -6.060 -20, .014 1.00 12, .84 MOLB

ATOM 2970 CA ILΞ 119 44, .116 -5.051 -18, .987 1.00 14, .61 MOLB

ATOM 2971 CB ILΞ 119 45, .449 -4.949 -18, .207 1.00 17, .16 MOLB

ATOM 2972 CG2 ILΞ 119 45, .448 -3.768 -17. .244 1.00 13, .73 MOLB

ATOM 2973 CGI ILΞ 119 45, .670 -6.260 -17, .468 1.00 15, .53 MOLB

ATOM 2974 CDl ILΞ 119 46. .901 -6.243 -16, .664 1.00 17, .59 MOLB

ATOM 2975 C ILΞ 119 43. .816 -3.743 -19. .697 1.00 14, .86 MOLB

ATOM 2976 O ILΞ 119 44, .465 -3.426 -20. .689 1.00 15, .07 MOLB

ATOM 2977 N PHΞ 120 42, .829 -3.003 -19. .197 1.00 13, .84 MOLB

ATOM 2978 CA PHΞ 120 42, .449 -1.743 -19. .807 1.00 12, .88 MOLB

ATOM 2979 CB PHΞ 120 40, .923 -1.657 -20, .013 1.00 13, .00 MOLB

ATOM 2980 CG PHΞ 120 40, .278 -2.918 -20, .556 1.00 14, .90 MOLB

ATOM 2981 CDl PHΞ 120 40, .990 -3.811 -21, .356 1.00 14, .68 MOLB

ATOM 2982 CD2 PHE 120 38, .908 -3.148 -20, .357 1.00 13, .32 MOLB

ATOM 2983 CΞl PHΞ 120 40, .357 -4.906 -21, .953 1.00 16, .19 MOLB

ATOM 2984 CΞ2 PHΞ 120 38. .264 -4.234 -20, .952 1.00 12, .78 MOLB

ATOM 2985 CZ PHΞ 120 38, .989 -5.115 -21, .754 1.00 16, .79 MOLB

ATOM 2986 C PHΞ 120 42, .884 -0.571 — lo i .931 1.00 13, .35 MOLB

ATOM 2987 O PHE 120 42, .711 -0.603 -17, .706 1.00 12, .88 MOLB

ATOM 2988 N ALA 121 43, .452 0.450 -19. .578 1.00 14, .28 MOLB

ATOM 2989 CA ALA 121 43, .899 1.678 -18. .925 1.00 14, .51 MOLB

ATOM 2990 CB ALA 121 44, .925 2.395 -19. .783 1.00 12, .29 MOLB

ATOM 2991 C ALA 121 42, .654 2.549 -18. .759 1.00 20, .11 MOLB

ATOM 2992 O ALA 121 41, .626 2.283 -19, .391 1.00 19, .89 MOLB

ATOM 2993 N ASN 122 42, .773 3.607 -17, .952 1.00 22, .96 MOLB

ATOM 2994 CA ASN 122 41, .640 4.467 -17. .649 1.00 21, .15 MOLB

ATOM 2995 CB ASN 122 40, .949 3.904 -16. .414 1.00 24. .23 MOLB

ATOM 2996 CG ASN 122 39, .653 4.590 -16. .107 1.00 28. .15 MOLB

ATOM 2997 OD1 ASN 122 39, .625 5.759 -15. .705 1.00 31, .98 MOLB

ATOM 2998 ND2 ASN 122 38. .560 3.866 -16, .282 1.00 28. .52 MOLB

ATOM 2999 C ASN 122 41, .979 5.936 -17, .405 1.00 21. .72 MOLB

ATOM 3000 O ASN 122 42, .846 6.259 -16. .597 1.00 21, .28 MOLB

ATOM 3001 N LΞU 123 41, .259 6.817 -18. .095 1.00 20, .42 MOLB

ATOM 3002 CA LΞU 123 41, .430 8.265 -17. .995 1.00 19, .28 MOLB

ATOM 3003 CB LΞU 123 42, .511 8.761 -18. .965 1.00 17, .67 MOLB

ATOM 3004 CG LΞU 123 43, .978 8.375 -18. .759 1.00 17. .60 MOLB

ATOM 3005 CDl LΞU 123 44, .833 9.139 -19. .758 1.00 17. .52 MOLB

ATOM 3006 CD2 LΞU 123 44, .411 8.689 -17. ,348 1.00 14. .50 MOLB

ATOM 3007 C LΞU 123 40, .105 8.969 -18. .335 1.00 21. .90 MOLB ATOM 3008 O LBU 123 39.,288 8.,437 -19.,087 1.00 23,.35 MOLB

ATOM 3009 N GLY 124 39. .909 10. .172 -17. .796 1.00 19. .74 MOLB

ATOM 3010 CA GLY 124 38, .693 10. .919 -18. .062 1.00 19, .85 MOLB

ATOM 3011 C GLY 124 38, .747 11. .573 -19. .428 1.00 22, .45 MOLB

ATOM 3012 O GLY 124 39. .811 11. .673 -20. .035 1.00 23, .44 MOLB

ATOM 3013 N SΞR 125 37. .598 12. .026 -19. .913 1.00 23, .62 MOLB

ATOM 3014 CA SΞR 125 37. .513 12. .658 -21. ,222 1.00 23, .73 MOLB

ATOM 3015 CB SΞR 125 36. .051 12. .905 -21, .552 1.00 24, .65 MOLB

ATOM 3016 OG SΞR 125 35. .498 13. .790 -20, .601 1.00 25, .13 MOLB

ATOM 3017 C SΞR 125 38. .311 13, .968 -21, .336 1.00 23, .45 MOLB

ATOM 3018 O SΞR 125 38. .407 14. .546 -22, .420 1.00 20, .48 MOLB

ATOM 3019 N GLU 126 38. .869 14. .448 -20, ,223 1.00 24, .98 MOLB

ATOM 3020 CA GLU 126 39. .668 15. .675 -20. .265 1.00 25. .41 MOLB

ATOM 3021 CB GLU 126 39. .694 16. .392 -18. .894 1.00 20, .52 MOLB

ATOM 3022 CG GLU 126 40. .614 15. .809 -17. .851 1.00 22, .44 MOLB

ATOM 3023 CD GLU 126 39. .989 14. .658 -17. .064 1.00 30. .13 MOLB

ATOM 3024 OBI GLU 126 38. .828 14. .288 -17, .359 1.00 30, .26 MOLB

ATOM 3025 OΞ2 GLU 126 40. .670 14. .119 -16, .149 1.00 30, .90 MOLB

ATOM 3026 C GLU 126 41. .089 15, .324 -20. .706 1.00 27, .26 MOLB

ATOM 3027 O GLU 126 41. .829 16, .172 -21, .201 1.00 30, .18 MOLB

ATOM 3028 N ALA 127 41. .463 14, .058 -20, .555 1.00 25, .34 MOLB

ATOM 3029 CA ALA 127 42. .800 13, .628 -20, .949 1.00 25, .40 MOLB

ATOM 3030 CB ALA 127 42. .936 12, .132 -20, .792 1.00 24, .04 MOLB

ATOM 3031 C ALA 127 43. .179 14, .032 -22, .372 1.00 26, .46 MOLB

ATOM 3032 O ALA 127 42. .326 14, .197 -23, .245 1.00 24. .81 MOLB

ATOM 3033 N THR 128^" 44. .483 14, .180 -22. .586 1.00 28. .89 MOLB

ATOM 3034 CA THR 128 45. .053 14, .564 -23. .880 1.00 28. .64 MOLB

ATOM 3035 CB THR 128 46. .161 15, .616 -23. .684 1.00 27, .53 MOLB

ATOM 3036 OGl THR 128 47. .287 15, .022 -23. .018 1.00 27, .77 MOLB

ATOM 3037 CG2 THR 128 45, .649 16, .761 -22, .823 1.00 23, .96 MOLB

ATOM 3038 C THR 128 45, .666 13. .330 -24, .538 1.00 27, .27 MOLB

ATOM 3039 O THR 128 45, .915 12, .323 -23. .856 1.00 28, .83 MOLB

ATOM 3040 N ALA 129 45, .929 13, .399 -25. .840 1.00 23, .69 MOLB

ATOM 3041 CA ALA 129 46. .519 12, .249 —26. .523 1.00 22, .91 MOLB

ATOM 3042 CB ALA 129 46, .806 12, .592 -27, .966 1.00 22, .11 MOLB

ATOM 3043 C ALA 129 47. .815 11, .834 -25, .822 1.00 24, .64 MOLB

ATOM 3044 O ALA 129 48, .169 10, .657 -25, .777 1.00 22, .32 MOLB

ATOM 3045 N ALA 130 48, .519 12, .811 -25, .267 1.00 25, .90 MOLB

ATOM 3046 CA ALA 130 49, .770 12. .547 -24, .587 1.00 25, .14 MOLB

ATOM 3047 CB ALA 130 50, .413 13, .842 -24, .177 1.00 26. .13 MOLB

ATOM 3048 C ALA 130 49, .535 11, .700 -23, .363 1.00 27, .23 MOLB

ATOM 3049 O ALA 130 50, .103 10, .610 -23. .220 1.00 27, .32 MOLB

ATOM 3050 N GLN 131 48, .696 12, .211 -22. .470 1.00 25, .26 MOLB

ATOM 3051 CA GLN 131 48. .421 11, .492 -21, .247 1.00 24, .49 MOLB

ATOM 3052 CB GLN 131 47, .413 12, .248 -20, .401 1.00 24, .17 MOLB

ATOM 3053 CG GLN 131 47, .527 13, .748 -20, .536 1.00 26, .44 MOLB

ATOM 3054 CD GLN 131 46, .838 14, .478 -19, .409 1.00 28, .42 MOLB

ATOM 3055 OBI GLN 131 47, .412 14, .658 -18, .349 1.00 28, .87 MOLB

ATOM 3056 NΞ2 GLN 131 45, .584 14, .876 -19, .625 1.00 29, .09 MOLB

ATOM 3057 C GLN 131 47, .898 10, .100 -21, .549 1.00 22 .44 MOLB

ATOM 3058 O GLN 131 48, .266 9 .146 -20, .883 1.00 23, .96 MOLB

ATOM 3059 N ALA 132 47, .051 9, .984 -22, .566 1.00 20, .47 MOLB

ATOM 3060 CA ALA 132 46, .470 8, .694 -22, .942 1.00 20, .72 MOLB

ATOM 3061 CB ALA 132 45, .553 8, .867 -24, .155 1.00 20, .67 MOLB

ATOM 3062 C ALA 132 47, .544 7, .670 -23, .252 1.00 21, .72 MOLB ATOM 3063 O ALA 132 47.454 6.499 -22.857 1.00 20.26 MOLB

ATOM 3064 N LYS 133 48.566 8.122 -23.970 1.00 23.32 MOLB

ATOM 3065 CA LYS 133 49.674 7.258 -24.341 1.00 27.36 MOLB

ATOM 3066 CB LYS 133 50.573 7.951 -25.351 1.00 27.71 MOLB

ATOM 3067 CG LYS 133 49.866 8.189 -26.678 1.00 39.11 MOLB

ATOM 3068 CD LYS 133 50.771 8.872 -27.682 1.00 42.33 MOLB

ATOM 3069 CE LYS 133 52.052 8.092 -27.877 1.00 48.26 MOLB

ATOM 3070 NZ LYS 133 52.994 8.870 -28.724 1.00 54.65 MOLB

ATOM 3071 C LYS 133 50.477 6.868 -23.128 1.00 27.41 MOLB

ATOM 3072 O LYS 133 50.904 5.724 -22.983 1.00 26.22 MOLB

ATOM 3073 N GLU 134 50.665 7.831 -22.241 1.00 28.89 MOLB

ATOM 3074 CA GLU 134 51.437 7.593 -21.042 1.00 29.45 MOLB

ATOM 3075 CB GLU 134 51.708 8.926 -20.350 1.00 33.54 MOLB

ATOM 3076 CG GLU 134 52.783 8.875 -19.283 1.00 42.88 MOLB

ATOM 3077 CD GLU 134 53.187 10.264 -18.830 1.00 47.19 MOLB

ATOM 3078 OΞl GLU 134 53.811 10.383 -17.751 1.00 51.65 MOLB

ATOM 3079 OΞ2 GLU 134 52.875 11.234 -19.558 1.00 47.45 MOLB

ATOM 3080 C GLU 134 50.686 6.621 -20.136 1.00 27.18 MOLB

ATOM 3081 O GLU 134 51.288 5.717 -19.573 1.00 29.11 MOLB

ATOM 3082 N ALA 135 49.371 6.777 -20.022 1.00 26.73 MOLB

ATOM 3083 CA ALA 135 48.551 5.896 -19.203 1.00 27.03 MOLB

ATOM 3084 CB ALA 135 47.095 6.399 -19.190 1.00 26.43 MOLB

ATOM 3085 C ALA 135 48.612 4.455 -19.718 1.00 29.12 MOLB

ATOM 3086 O ALA 135 48.790 3.518 -18.929 1.00 32.64 MOLB

ATOM 3087 N VAL 136 48.449 4.285 -21.033 1.00 27.66 MOLB

ATOM 3088 CA VAL 136 48.504 2.976 -21.692 1.00 25.16 MOLB

ATOM 3089 CB VAL 136 48.299 3.103 -23.223 1.00 21.47 MOLB

ATOM 3090 CGI VAL 136 48.578 1.765 -23.911 1.00 13.25 MOLB

ATOM 3091 CG2 VAL 136 46.884 3.561 -23.526 1.00 21.35 MOLB

ATOM 3092 C VAL 136 49.879 2.331 -21.486 1.00 28.31 MOLB

ATOM 3093 O VAL 136 50.005 1.141 -21.173 1.00 26.57 MOLB

ATOM 3094 N GLU 137 50.918 3.131 -21.679 1.00 30.60 MOLB

ATOM 3095 CA GLU 137 52.275 2.643 -21.520 1.00 30.43 MOLB

ATOM 3096 CB GLU 137 53.259 3.695 -22.040 1.00 32.82 MOLB

ATOM 3097 CG GLU 137 53.223 3.822 -23.573 1.00 44.87 MOLB

ATOM 3098 CD GLU 137 54.050 4.993 -24.137 1.00 49.56 MOLB

ATOM 3099 OBI GLU 137 54.063 5.150 -25.388 1.00 50.68 MOLB

ATOM 3100 OΞ2 GLU 137 54.675 5.745 -23.339 1.00 50.09 MOLB

ATOM 3101 C GLU 137 52.553 2.277 -20.074 1.00 27.63 MOLB

ATOM 3102 O GLU 137 53.301 1.341 -19.792 1.00 27.96 MOLB

ATOM 3103 N MBT 138 51.904 2.983 -19.154 1.00 25.80 MOLB

ATOM 3104 CA MΞT 138 52.105 2.757 -17.723 1.00 23.64 MOLB

ATOM 3105 CB MΞT 138 51.216 3.690 -16.916 1.00 21.15 MOLB

ATOM 3106 CG MΞT 138 51.578 3.726 -15.457 1.00 22.98 MOLB

ATOM 3107 SD MΞT 138 50.334 4.503 -14.427 1.00 28.90 MOLB

ATOM 3108 CΞ MΞT 138 50.431 6.187 -14.929 1.00 21.71 MOLB

ATOM 3109 C MET 138 51.894 1.319 -17.247 1.00 25.70 MOLB

ATOM 3110 O MET 138 52.630 0.817 -16.402 1.00 25.72 MOLB

ATOM 3111 N ILΞ 139 50.879 0.661 -17.796 1.00 27.28 MOLB

ATOM 3112 CA ILΞ 139 50.514 -0.707 -17.422 1.00 22.91 MOLB

ATOM 3113 CB ILΞ 139 49.114 -0.711 -16.802 1.00 23.20 MOLB

ATOM 3114 CG2 ILΞ 139 49.129 0.090 -15.529 1.00 26.76 MOLB

ATOM 3115 CGI ILΞ 139 48.112 -0.029 -17.739 1.00 23.66 MOLB

ATOM 3116 CDl ILΞ 139 46.665 -0.129 -17.259 1.00 24.91 MOLB

ATOM 3117 C ILΞ 139 50.541 -1.679 -18.603 1.00 22.73 MOLB ATOM 3118 O ILΞ 139 50.185 -2.861 -18.460 1.00 20.72 MOLB

ATOM 3119 N GLY 140 50.975 -1.181 -19.761 1.00 19.91 MOLB

ATOM 3120 CA GLY 140 51.032 -2.011 -20.948 1.00 18.40 MOLB TOM 3121 C GLY 140 49.637 -2.458 -21.347 1.00 20.77 MOLB

ATOM 3122 O GLY 140 49.433 -3.622 -21.671 1.00 22.12 MOLB

ATOM 3123 N ALA 141 48.679 -1.533 -21.337 1.00 20.89 ^' MOLB

ATOM 3124 CA ALA 141 47.281 -1.822 -21.649 1.00 20.47 MOLB

ATOM 3125 CB ALA 141 46.446 -0.568 -21.436 1.00 18.96 MOLB

ATOM 3126 C ALA 141 46.954 -2.398 -23.013 1.00 21.13 MOLB

ATOM 3127 O ALA 141 47.627 -2.118 -23.989 1.00 24.98 MOLB

ATOM 3128 N ASN 142 45.884 -3.183 -23.067 1.00 20.16 MOLB

ATOM 3129 CA ASN 142 45.437 -3.764 -24.314 1.00 20.22 MOLB

ATOM 3130 CB ASN 142 44.916 -5.153 -24.067 1.00 20.75 MOLB

ATOM 3131 CG ASN 142 45.970 -6.015 -23.486 1.00 24.03 MOLB

ATOM 3132 OD1 ASN 142 46.031 -6.211 -22.275 1.00 29.02 MOLB

ATOM 3133 ND2 ASN 142 46.850 -6.512 -24.339 1.00 24.03 MOLB

ATOM 3134 C ASN 142 44.387 -2.888 -24.964 1.00 21.23 MOLB

ATOM 3135 O ASN 142 44.126 -3.015 -26.158 1.00 21.65 MOLB

ATOM 3136 N ALA 143 43.812 -1.999 -24.159 1.00 18.88 MOLB

ATOM 3137 CA ALA 143 42.819 -1.051 -24.617 1.00 17.10 MOLB

ATOM 3138 CB ALA 143 41.424 -1.684 -24.663 1.00 18.02 MOLB

ATOM 3139 C ALA 143 42.842 0.109 -23.633 1.00 17.32 MOLB

ATOM 3140 O ALA 143 43.435 0.011 -22.553 1.00 18.40 MOLB

ATOM 3141 N LΞU 144 42.209 1.213 -24.006 1.00 16.17 MOLB

ATOM 3142 CA LΞU 144 42.165 2.397 -23.163 1.00 16.83 MOLB

ATOM 3143 CB LΞU 144 42.997 3.546 -23.764 1.00 15.53 MOLB

ATOM 3144 CG LΞU 144 42.861 4.960 -23.174 1.00 12.47 MOLB

ATOM 3145 CDl LΞU 144 43.225 4.915 -21.707 1.00 12.45 MOLB

ATOM 3146 CD2 LΞU 144 43.763 5.953 -23.902 1.00 9.60 MOLB

ATOM 3147 C LΞU 144 40.732 2.856 -23.007 1.00 20.70 MOLB

ATOM 3148 O LΞU 144 40.015 3.084 -23.989 1.00 22.41 MOLB

ATOM 3149 N GLN 145 40.340 3.020 -21.750 1.00 21.67 MOLB

ATOM 3150 CA GLN 145 39.011 3.464 -21.397 1.00 19.23 MOLB

ATOM 3151 CB GLN 145 38.530 2.747 "ώU • ■ 1.00 19.20 MOLB

ATOM 3152 CG GLN 145 37.910 1.408 -20.402 1.00 25.60 MOLB

ATOM 3153 CD GLN 145 37.280 0.833 -19.133 1.00 29.96 MOLB

ATOM 3154 OBI GLN 145 36.428 -0.062 -19.212 1.00 39.68 MOLB

ATOM 3155 NΞ2 GLN 145 37.696 1.334 -17.962 1.00 21.48 MOLB

ATOM 3156 C GLN 145 38.999 4.942 -21.111 1.00 20.06 MOLB

ATOM 3157 O GLN 145 39.790 5.437 -20.307 1.00 21.65 MOLB

ATOM 3158 N ILΞ 146 38.105 5.649 -21.790 1.00 20.73 MOLB

ATOM 3159 CA ILΞ 146 37.919 7.085 -21.577 1.00 19.44 MOLB

ATOM 3160 CB ILE 146 38.088 7.886 -22.898 1.00 15.28 MOLB

ATOM 3161 CG2 ILΞ 146 37.747 9.335 -22.659 1.00 13.79 MOLB

ATOM 3162 CGI ILΞ 146 39.516 7.756 -23.441 1.00 16.04 MOLB

ATOM 3163 CDl ILΞ 146 40.587 8.505 -22.634 1.00 15.40 MOLB

ATOM 3164 C ILE 146 36.471 7.206 -21.063 1.00 22.88 MOLB

ATOM 3165 O ILΞ 146 35.518 6.852 -21.767 1.00 22.88 MOLB

ATOM 3166 N HIS 147 36.306 7.664 -19.823 1.00 25.61 MOLB

ATOM 3167 CA HIS 147 34.965 7.804 -19.270 1.00 28.80 MOLB

ATOM 3168 CB HIS 147 34.911 7.331 -17.807 1.00 33.01 MOLB

ATOM 3169 CG HIS 147 35.823 8.077 -16.880 1.00 44.00 MOLB

ATOM 3170 CD2 HIS 147 . 35.828 9.374 -16.476 1.00 48.08 MOLB

ATOM 3171 NDl HIS 147 36.888 7.472 -16.243 1.00 49.14 MOLB

ATOM 3172 CB1 HIS 147 37.512 8.365 -15.490 1.00 49.65 MOLB ATOM 3173 NΞ2 HIS 147 36.,891 9.,526 -15..615 1.00 50.,79 MOLB

ATOM 3174 C HIS 147 34. ,433 9. ,224 -19. ,418 1.00 28. ,72 MOLB

ATOM 3175 O HIS 147 35. ,179 10. ,197 -19. ,336 1.00 28. ,44 MOLB

ATOM 3176 N LΞU 148 33. ,140 9. ,324 -19. ,694 1.00 28. ,62 MOLB

ATOM 3177 CA LΞU 148 32. ,478 10. ,608 -19. ,862 1.00 32. ,54 MOLB

ATOM 3178 CB LΞU 148 31. ,606 10. .568 -21. ,119 1.00 26. ,40 MOLB

ATOM 3179 CG LΞU 148 32. ,258 10. ,217 -22. ,443 1.00 25. ,13 MOLB

ATOM 3180 CDl LΞU 148 31. ,196 10. ,157 -23. ,496 1.00 21. ,55 MOLB

ATOM 3181 CD2 LΞU 148 33. ,306 11. ,264 -22. ,790 1.00 24. ,85 MOLB

ATOM 3182 C LΞU 148 31. ,568 10. ,793 -18. ,662 1.00 39. ,40 MOLB

ATOM 3183 O LΞU 148 31. ,132 9. ,803 -18. ,071 1.00 41. ,54 MOLB

ATOM 3184 N ASN 149 31. ,276 12. ,039 -18. ,294 1.00 45. ,31 MOLB

ATOM 3185 CA ASN 149 30. ,340 12. .263 -17. .198 1.00 50. .98 MOLB

ATOM 3186 CB ASN 149 30. ,880 11. .730 -15. .864 1.00 56. .95 MOLB

ATOM 3187 CG ASN 149 29. ,757 11. .260 -14, .927 1.00 63, .53 MOLB

ATOM 3188 OD1 ASN 149 28. ,579 11. .631 -15, .104 1.00 64. ,03 MOLB

ATOM 3189 ND2 ASN 149 30. ,118 10. ,451 -13, .919 1.00 65. ,37 MOLB

ATOM 3190 C ASN 149 30. ,011 13. ,718 -17, .042 1.00 52. ,15 MOLB

ATOM 3191 O ASN 149 30. ,317 14. .307 -16. .016 1.00 52. ,79 MOLB

ATOM 3192 N VAL 150 29. .363 14. .299 -18. .045 1.00 54. ,32 MOLB

ATOM 3193 CA VAL 150 29. .016 15. .714 -17. .977 1.00 56. .97 MOLB

ATOM 3194 CB VAL 150 28. .373 16. .199 -19. .296 1.00 56. .54 MOLB

ATOM 3195 CGI VAL 150 28. .268 17. .727 -19. .292 1.00 56. .75 MOLB

ATOM 3196 CG2 VAL 150 29. .196 15. .728 -20, .478 1.00 56, .65 MOLB

ATOM 3197 C VAL 150 28. .096 16. .093 -16, .797 1.00 58. .18 MOLB

ATOM 3198 O VAL 150 28, .383 17, .045 -16, .069 1.00 58, .29 MOLB

ATOM 3199 N ILΞ 151 27, .005 15, .348 -16, .610 1.00 59, .78 MOLB

ATOM 3200 CA ILΞ 151 26. .049 15. .630 -15. .524 1.00 64, .04 MOLB

ATOM 3201 CB ILΞ 151 24, .856 14. .628 -15, .540 1.00 64. .60 MOLB

ATOM 3202 CG2 ILΞ 151 23, .949 14, .838 -14, .333 1.00 62. .06 MOLB

ATOM 3203 CGI ILΞ 151 24. .026 14, .834 -16, .806 1.00 66. .60 MOLB

ATOM 3204 CDl ILΞ 151 22. .897 13, .844 -16, .943 1.00 70, .58 MOLB

ATOM 3205 C ILΞ 151 26, .686 15, .613 -14, .131 1.00 65, .39 MOLB

ATOM 3206 O ILE 151 26 i .261 16, .352 -13, .241 1.00 67, .91 MOLB

ATOM 3207 N GLN 152 27, .698 14, .774 -13, .945 1.00 66, .54 MOLB

ATOM 3208 CA GLN 152 28, .363 14, .708 -12, .653 1.00 67, .36 MOLB

ATOM 3209 CB GLN 152 29. .013 13, .329 -12, .464 1.00 69, .95 MOLB

ATOM 3210 CG GLN 152 28, .017 12, .184 -12, .416 1.00 74, .55 MOLB

ATOM 3211 CD GLN 152 26, .980 12, .349 -11, .316 1.00 78, .81 MOLB

ATOM 3212 OBI GLN 152 26, .174 13, .301 -11, .334 1.00 80, .99 MOLB

ATOM 3213 NΞ2 GLN 152 26 .995 11 .433 -10 .344 1.00 78, .98 MOLB

ATOM 3214 C GLN 152 29 .419 15 .813 -12 .508 1.00 66, .94 MOLB

ATOM 3215 O GLN 152 29 .548 16 .419 -11 .443 1.00 66 .54 MOLB

ATOM 3216 N GLU 153 30 .151 16 .077 -13 .586 1.00 65 .48 MOLB

ATOM 3217 CA GLU 153 31 .185 17 .102 -13 .547 1.00 66 .62 MOLB

ATOM 3218 CB GLU 153 32 .130 16 .928 -14 .755 1.00 68 .91 MOLB

ATOM 3219 CG GLU 153 32 .980 15 .626 -14 .712 1.00 72, .49 MOLB

ATOM 3220 CD GLU 153 33 .240 15 .015 -16 .109 1.00 75, .11 MOLB

ATOM 3221 OBI GLU 153 33 .915 13 .955 -16 .191 1.00 73 .98 MOLB

ATOM 3222 OΞ2 GLU 153 32 .770 15 .591 -17 .120 1.00 76 .86 MOLB

ATOM 3223 C GLU 153 30 .585 18 .513 -13 .512 1.00 67 .32 MOLB

ATOM 3224 O GLU 153 31 .231 19 .466 -13 .064 1.00 69 .76 MOLB

ATOM 3225 N ILE 154 29 .331 18 .634 -13 .946 1.00 66 .05 MOLB

ATOM 3226 CA ILΞ 154 28 .638 19 .926 -13 .961 1.00 63 .73 MOLB

ATOM 3227 CB ILΞ 154 27 .472 19 .921 -14 .972 1.00 61 .87 MOLB ATOM 3228 CG2 ILΞ 154 26.219 19.279 -14.341 1.00 58 . 00 MOLB

ATOM 3229 CGI ILΞ 154 27.208 21.362 -15.430 1.00 60 . 04 MOLB

ATOM 3230 CDl ILΞ 154 26.434 21.480 -16.715 1.00 60 .19 MOLB

ATOM 3231 C ILΞ 154 28.115 20.351 -12.579 1.00 63 .25 MOLB

ATOM 3232 O ILΞ 154 28.216 21.527 -12.199 1.00 60 .66 MOLB

ATOM 3233 N VAL 155 27.549 19.398 -11.845 1.00 58.39 MOLB

ATOM 3234 CA VAL 155 27.065 19.663 -10.501 1.00 63 .66 MOLB

ATOM 3235 CB VAL 155 26.244 18.435 -9.947 1.00 61.32 MOLB

ATOM 3236 CGI VAL 155 26.048 18.544 -8.426 1.00 60 .76 MOLB

ATOM 3237 CG2 VAL 155 24.882 18.354 -10.665 1. 00 58 .16 MOLB

ATOM 3238 C VAL 155 28.311 19.967 -9.622 1.00 63 . 03 MOLB

ATOM 3239 O VAL 155 28.522 21.131 -9.232 1.00 62 .25 MOLB

ATOM 3240 N MΞT 156 29.149 18.953 -9.335 1.00 63 .20 MOLB

ATOM 3241 CA MΞT 156 30.368 19.168 -8.528 1.00 62 .54 MOLB

ATOM 3242 CB MΞT 156 31.278 17.926 -8.487 1.00 65 . 84 MOLB

ATOM 3243 CG MΞT 156 30.712 16.694 -7.735 1.00 71.33 MOLB

ATOM 3244 SD MΞT 156 31.719 15.122 -7.948 1.00 83 . 56 MOLB

ATOM 3245 CB MΞT 156 32.117 14.554 -6.133 1.00 72 . 54 MOLB

ATOM 3246 C MΞT 156 31.164 20.337 -9.114 1.00 60 .99 MOLB

ATOM 3247 O MΞT 156 31.011 20.691 -10.293 1.00 55.85 MOLB

ATOM 3248 N PHΞ 163 31.562 21.901 -21.015 1.00 40 . 81 MOLB

ATOM 3249 CA PHΞ 163 32.144 20.610 -21.395 1.00 38 . 98 MOLB

ATOM 3250 CB PHE 163 31.182 19.498 -21.019 0.00 30 .40 MOLB

ATOM 3251 CG PHΞ 163 30.897 19.426 -19.554 0. 00 21. 02 MOLB

ATOM 3252 CDl PHΞ 163 30.203 20.448 -18.916 0.00 16 .78 MOLB

ATOM 3253 CD2 PHΞ 163 31.326 18.337 -18.808 0.00 16 .78 MOLB

ATOM 3254 CB1 PHΞ 163 29.942 20.390 -17.551 0.00 14 .31 MOLB

ATOM 3255 CΞ2 PHΞ 163 31.070 18.269 -17.446 0.00 14 .31 MOLB

ATOM 3256 CZ PHΞ 163 30.379 19.297 -16.814 0.00 13 . 65 MOLB

ATOM 3257 C PHΞ 163 32.541 20.508 -22.879 1.00 40 .21 MOLB

ATOM 3258 O PHΞ 163 32.524 19.415 -23.459 1.00 41.64 MOLB

ATOM 3259 N SΞR 164 32.911 21.651 -23.465 1.00 43 .71 MOLB

ATOM 3260 CA SΞR 164 33.316 21.720 -24.871 1.00 42 .36 MOLB

ATOM 3 1 CB SΞR 164 33.428 23.207 -25.280 1.00 41. 05 MOLB

ATOM 3262 OG SΞR 164 33.745 23.379 -26.653 1.00 43 .26 MOLB

ATOM 3263 C SΞR 164 34.661 21.004 -25.105 1. 00 40 .74 MOLB

ATOM 3264 O SΞR 164 35.549 21.033 -24.244 1.00 43 .12 MOLB

ATOM 3265 N GLY 165 34.806 20.336 -26.246 1.00 38 . 86 MOLB

ATOM 3266 CA GLY 165 36.067 19.666 -26.536 1.00 38 .39 MOLB

ATOM 3267 C GLY 165 36.143 18.177 -26.250 1.00 36 . 82 MOLB

ATOM 3268 O GLY 165 37.058 17.508 -26.719 1.00 36 .77 MOLB

ATOM 3269 N ALA 166 35.188 17.647 -25.495 1.00 34.86 MOLB

ATOM 3270 CA ALA 166 35.184 16.224 -25.183 1.00 30 .40 MOLB

ATOM 3271 CB ALA 166 33.892 15.855 -24.477 1.00 34 .38 MOLB

ATOM 3272 C ALA 166 35.374 15.343 -26.424 1.00 29 .49 MOLB

ATOM 3273 O ALA 166 36.346 14.581 -26.500 1. 00 28 .13 MOLB

ATOM 3274 N LΞU 167 34.466 15.442 -27.398 1.00 24 . 68 MOLB

ATOM 3275 CA LΞU 167 34.570 14.624 -28.603 1.00 22 .37 MOLB

ATOM 3276 CB LΞU 167 33.395 14.895 -29.548 1.00 17 . 00 MOLB

ATOM 3277 CG LΞU 167 33.294 14.005 -30.796 1.00 15.82 MOLB

ATOM 3278 CDl LΞU 167 33.436 12.544 -30.417 1.00 14 .42 MOLB

ATOM 3279 CD2 LΞU 167 31.963 14.251 -31.520 1.00 14 .16 MOLB

ATOM 3280 C LΞU 167 35.899 14.839 -29.326 1.00 23 .97 MOLB

ATOM 3281 O LΞU 167 36.530 13.883 -29.783 1.00 25 .16 MOLB

ATOM 3282 N LYS 168 36.327 16.096 -29.403 1.00 24 .12 MOLB ATOM 3283 CA LYS 168 37..597 16..482 -30.,038 1.00 22.,25 MOLB

ATOM 3284 CB LYS 168 37. .849 17. ,971 -29. ,826 1.00 22. .05 MOLB

ATOM 3285 CG LYS 168 39. .180 18. ,460 -30. ,350 1.00 19. .58 MOLB

ATOM 3286 CD LYS 168 39. .456 19. ,839 -29. ,799 1.00 26. ,33 MOLB

ATOM 3287 CB LYS 168 40. .659 20. .478 -30. ,448 1.00 29. ,84 MOLB

ATOM 3288 NZ LYS 168 40. .630 21. .966 -30. ,286 1.00 30. .52 MOLB

ATOM 3289 C LYS 168 38. ,758 15. ,730 -29. .423 1.00 23. .54 MOLB

ATOM 3290 O LYS 168 39. .580 15. .110 -30. ,119 1.00 22. .95 MOLB

ATOM 3291 N ARG 169 38. .822 15. .809 -28. ,100 1.00 23. .16 MOLB

ATOM 3292 CA ARG 169 39. .854 15. .154 -27. ,329 1.00 21. .75 MOLB

ATOM 3293 CB ARG 169 39. .656 15. .471 -25. ,848 1.00 22. .40 MOLB

ATOM 3294 CG ARG 169 40. ,866 16. .054 -25. ,136 1.00 25. .47 MOLB

ATOM 3295 CD ARG 169 40. .491 17. .300 -24. ,363 1.00 25. .16 MOLB

ATOM 3296 NΞ ARG 169 39. .241 17. .152 -23. .629 1.00 30. .69 MOLB

ATOM 3297 CZ ARG 169 38. .335 18. .121 -23. .523 1.00 33. .83 MOLB

ATOM 3298 NHl ARG 169 37. .216 17. .928 -22, .841 1.00 34. .47 MOLB

ATOM 3299 NH2 ARG 169 38. .555 19. .292 -24, .104 1.00 30. ,92 MOLB

ATOM 3300 C ARG 169 39. .820 13. .646 -27. ,574 1.00 23. .00 MOLB

ATOM 3301 O ARG 169 40. .874 13. .029 -27. .741 1.00 23. .70 MOLB

ATOM 3302 N ILB 170 38. .624 13. .050 -27. .605 1.00 20. ,70 MOLB

ATOM 3303 CA ILΞ 170 38. .497 11. .602 -27, .838 1.00 17. .96 MOLB

ATOM 3304 CB ILΞ 170 37. .027 11. .112 -27. .673 1.00 14, .23 MOLB

ATOM 3305 CG2 ILΞ 170 36. .801 9. .756 -28. .361 1.00 1, .19 MOLB

ATOM 3306 CGI ILΞ 170 36, .736 10. .927 -26. .194 1.00 9, .10 MOLB

ATOM 3307 CDl ILΞ 170 35. .298 10. .765 -25, .928 1.00 14, .45 MOLB

ATOM 3308 C ILΞ 170 38, .986 11, .227 -29, .215 1.00 19, .53 MOLB

ATOM 3309 O ILΞ 170 39. .672 10, .222 -29, .401 1.00 16. .28 MOLB

ATOM 3310 N GLU 171 38. .638 12. .055 -30, .184 1.00 22, .69 MOLB

ATOM 3311 CA GLU 171 39, .043 11, .812 -31, .546 1.00 25, .60 MOLB

ATOM 3312 CB GLU 171 38. .340 12, .803 -32, .461 1.00 28, .62 MOLB

ATOM 3313 CG GLU 171 38. .453 12, .450 -33, .916 1.00 36, .61 MOLB

ATOM 3314 CD GLU 171 37, .599 13, .343 -34, .794 1.00 42, .88 MOLB

ATOM 3315 OBI GLU 171 37, .033 14, .340 -34, .259 1.00 43, .78 MOLB

ATOM 3316 OE2 GLU 171 37, .507 13, .037 -36 , .008 1.00 42, .04 MOLB

ATOM 3317 C GLU 171 40, .567 11, .875 -31, .696 1.00 25, .32 MOLB

ATOM 3318 O GLU 171 41, .151 11, .076 -32, .440 1.00 24, .58 MOLB

ATOM 3319 N GLN 172 41, .206 12, .799 -30, .973 1.00 24, .37 MOLB

ATOM 3320 CA GLN 172 42, .678 12, .938 -30, .996 1.00 26, .25 MOLB

ATOM 3321 CB GLN 172 43, .117 14, .212 -30, .273 1.00 25, .49 MOLB

ATOM 3322 CG GLN 172 42, .468 15, .457 -30, .830 1.00 28, .48 MOLB

ATOM 3323 CD GLN 172 42 .876 16, .699 -30, .084 1.00 26, .98 MOLB

ATOM 3324 OE1 GLN 172 42, .856 16 .735 -28, .859 1.00 30, .95 MOLB

ATOM 3325 NΞ2 GLN 172 43 .232 17, .739 -30, .824 1.00 27, .41 MOLB

ATOM 3326 C GLN 172 43 .358 11 .753 -30 .321 1.00 25, .35 MOLB

ATOM 3327 O GLN 172 44 .362 11 .233 -30 .806 1.00 27 .41 MOLB

ATOM 3328 N ILE 173 42 .803 11 .326 -29 .195 1.00 24 .48 MOLB

ATOM 3329 CA ILE 173 43 .347 10, .193 -28, .467 1.00 23, .29 MOLB

ATOM 3330 CB ILΞ 173 42 .587 9, .949 -27, .166 1.00 23, .62 MOLB

ATOM 3331 CG2 ILΞ 173 43 .047 8 .644 -26, .528 1.00 21, .70 MOLB

ATOM 3332 CGI ILΞ 173 42 .809 11 .127 -26, .228 1.00 24, .82 MOLB

ATOM 3333 CDl ILΞ 173 42 .094 10 .968 -24, .924 1.00 26 .14 MOLB

ATOM 3334 C ILE 173 43 .274 8 .904 -29, .269 1.00 21 .62 MOLB

ATOM 3335 O ILE 173 44 .213 8 .111 -29 .277 1.00 15 .10 MOLB

ATOM 3336 N CYS 174 42 .150 8 .705 -29 .951 1.00 23 .18 MOLB

ATOM 3337 CA CYS 174 41 .964 7 .474 -30 .725 1.00 25 .04 MOLB ATOM 3338 CB CYS 174 40.547 7.403 -31.299 1.00 21.81 MOLB

ATOM 3339 SG CYS 174 39.223 7.318 -30.090 1.00 24.67 MOLB

ATOM 3340 C CYS 174 42.989 7.250 -31.832 1.00 24.73 MOLB

ATOM 3341 O CYS 174 43.450 6.117 -32.039 1.00 26.66 MOLB

ATOM 3342 N SΞR 175 43.370 8.321 -32.522 1.00 24.55 MOLB

ATOM 3343 CA SΞR 175 44.314 8.202 -33.624 1.00 26.14 MOLB

ATOM 3344 CB SΞR 175 44.084 9.323 -34.636 1.00 25.09 MOLB

ATOM 3345 OG SΞR 175 44.480 10.558 -34.081 1.00 27.67 MOLB

ATOM 3346 C SΞR 175 45.781 8.218 -33.186 1.00 26.96 MOLB

ATOM 3347 O SΞR 175 46.677 8.057 -34.013 1.00 27.21 MOLB

ATOM 3348 N ARG 176 46.043 8.427 -31.904 1.00 24.87 MOLB

ATOM 3349 CA ARG 176 47.420 8.435 -31.474 1.00 23.19 MOLB

ATOM 3350 CB ARG 176 47.780 9.819 -30.940 1.00 23.77 MOLB

ATOM 3351 CG ARG 176 47.694 10.882 -32.017 1.00 23.42 MOLB

ATOM 3352 CD ARG 176 47.481 12.260 -31.421 1.00 26.91 MOLB

ATOM 3353 NΞ ARG 176 47.620 13.283 -32.452 1.00 30.30 MOLB

ATOM 3354 CZ ARG 176 46.693 13.575 -33.357 1.00 30.12 MOLB

ATOM 3355 NHl ARG 176 46.931 14.512 -34.260 1.00 32.11 MOLB

ATOM 3356 NH2 ARG 176 45.520 12.962 -33.341 1.00 28.81 MOLB

ATOM 3357 C ARG 176 47.776 7.345 -30.482 1.00 24.18 MOLB

ATOM 3358 O ARG 176 48.936 7.201 -30.129 1.00 29.70 MOLB

ATOM 3359 N VAL 177 46.804 6.576 -30.004 1.00 22.64 MOLB

ATOM 3360 CA VAL 177 47.176 5.489 -29.114 1.00 21.93 MOLB

ATOM 3361 CB VAL 177 46.175 5.227 -27.949 1.00 19.15 MOLB

ATOM 3362 CGI VAL 177 46.267 6.349 -26.931 1.00 15.55 MOLB

ATOM 3363 CG2 VAL 177 44.776 5.051 -28.473 1.00 19.06 MOLB

ATOM 3364 C VAL 177 47.326 4.228 -29.954 1.00 23.56 MOLB

ATOM 3365 O VAL 177 46.687 4.079 -30.993 1.00 20.87 MOLB

ATOM 3366 N SΞR 178 48.200 3.336 -29.501 1.00 27.69 MOLB

ATOM 3367 CA SΞR 178 48.466 2.090 -30.201 1.00 27.75 MOLB

ATOM 3368 CB SΞR 178 49.855 1.579 -29.850 1.00 29.04 MOLB

ATOM 3369 OG SΞR 178 49.848 1.049 -28.535 1.00 27.93 MOLB

ATOM 3370 C SΞR 178 47.480 1.006 -29.809 1.00 26.54 MOLB

ATOM 3371 O SER 178 47.701 -0.149 -30.134 1.00 31 • o MOLB

ATOM 3372 N VAL 179 46.420 1.348 -29.091 1.00 21.52 MOLB

ATOM 3373 CA VAL 179 45.445 0.334 -28.686 1.00 18.10 MOLB

ATOM 3374 CB VAL 179 45.574 -0.039 -27.176 1.00 18.22 MOLB

ATOM 3375 CGI VAL 179 46.835 -0.808 -26.923 1.00 13.33 MOLB

ATOM 3376 CG2 VAL 179 45.525 1.217 -26.311 1.00 16.64 MOLB

ATOM 3377 C VAL 179 44.000 0.764 -28.907 1.00 16.43 MOLB

ATOM 3378 O VAL 179 43.710 1.951 -29.116 1.00 18.51 MOLB

ATOM 3379 N PRO 180 43.064 -0.183 -28.866 1.00 10.13 MOLB

ATOM 3380 CD PRO 180 43.234 -1.640 -28.861 1.00 10.21 MOLB

ATOM 3381 CA PRO 180 41.659 0.195 -29.065 1.00 12.22 MOLB

ATOM 3382 CB PRO 180 40.946 -1.157 -29.182 1.00 10.41 MOLB

ATOM 3383 CG PRO 180 41.861 -2.120 -28.454 1.00 10.46 MOLB

ATOM 3384 C PRO 180 41.112 1.043 -27.912 1.00 13.64 MOLB

ATOM 3385 O PRO 180 41.423 0.792 -26.755 1.00 17.12 MOLB

ATOM 3386 N VAL 181 40.306 2.045 -28.232 1.00 13.30 MOLB

ATOM 3387 CA VAL 181 39.727 2.913 -27.216 1.00 14.24 MOLB

ATOM 3388 CB VAL 181 39.805 4.416 -27.634 1.00 15.94 MOLB

ATOM 3389 CGI VAL 181 38.868 5.261 -26.757 1.00 16.12 MOLB

ATOM 3390 CG2 VAL 181 41.248 4.923 -27.508 1.00 14.17 MOLB

ATOM 3391 C VAL 181 38.269 2.575 -26.885 1.00 15.72 MOLB

ATOM 3392 O VAL 181 37.436 2.374 -27.767 1.00 15.39 MOLB ATOM 3393 N ILΞ 182 37.,968 2.505 -25..598 1.00 13.85 MOLB

ATOM 3394 CA ILΞ 182 36. ,615 2.217 -25. .174 1.00 14.21 MOLB

ATOM 3395 CB ILΞ 182 36. ,555 1.042 -24. .209 1.00 11.85 MOLB

ATOM 3396 CG2 ILΞ 182 35. .109 0.803 -23, .796 1.00 6.11 MOLB

ATOM 3397 CGI ILΞ 182 37. .217 -0.177 -24, .864 1.00 6.51 MOLB

ATOM 3398 CDl ILΞ 182 37. .464 -1.320 -23, .919 1.00 3.86 MOLB

ATOM 3399 C ILΞ 182 36. .100 3.437 -24, .454 1.00 15.18 MOLB

ATOM 3400 O ILΞ 182 36. .636 3.805 -23. .426 1.00 15.53 MOLB

ATOM 3401 N VAL 183 35. .093 4.091 -25. .022 1.00 17.54 MOLB

ATOM 3402 CA VAL 183 34. .519 5.270 -24. .401 1.00 17.58 MOLB

ATOM 3403 CB VAL 183 33. .921 6.224 -25, .438 1.00 18.03 MOLB

ATOM 3404 CGI VAL 183 33. .394 7.489 -24, .742 1.00 17.53 MOLB

ATOM 3405 CG2 VAL 183 34, .981 6.588 -26, .472 1.00 17.53 MOLB

ATOM 3406 C VAL 183 33. .440 4.753 -23. .489 1.00 19.41 MOLB

ATOM 3407 O VAL 183 32. .555 4.012 -23. .908 1.00 21.00 MOLB

ATOM 3408 N LYS 184 33. .525 5.156 -22. .229 1.00 22.63 MOLB

ATOM 3409 CA LYS 184 32. .585 4.721 -21. .203 1.00 24.18 MOLB

ATOM 3410 CB LYS 184 33. .375 4.113 -20. .051 1.00 24.93 MOLB

ATOM 3411 CG LYS 184 32. .547 3.760 -18, .851 1.00 28.74 MOLB

ATOM 3412 CD LYS 184 33. .429 3.139 -17, .775 1.00 32.55 MOLB

ATOM 3413' CE LYS 184 32. .573 2.474 -16. .693 1.00 37.88 MOLB

ATOM 3414 NZ LYS 184 33. .403 1.649 -15. .775 1.00 34.62 MOLB

ATOM 3415 C LYS 184 31. .705 5.832 -20, .659 1.00 24.42 MOLB

ATOM 3416 O LYS 184 32. .194 6.924 -20. .387 1.00 25.16 MOLB

ATOM 3417 N GLU 185 30. .409 5.556 -20, .527 1.00 25.14 MOLB

ATOM 3418 CA GLU 185 29. .450 6.522 -19, .962 1.00 29.24 MOLB

ATOM 3419 CB GLU 185 28. .194 6.614 -20, .844 1.00 28.42 MOLB

ATOM 3420 CG GLU 185 27. .019 7.394 -20, .245 1.00 31.09 MOLB

ATOM 3421 CD GLU 185 27. .133 8.909 -20, .371 1.00 33.12 MOLB

ATOM 3422 OΞl GLU 185 27, .164 9.421 -21, .507 1.00 32.29 MOLB

ATOM 3423 OΞ2 GLU 185 27, .181 9.591 -19, .327 1.00 37.85 MOLB

ATOM 3424 C GLU 185 29, .096 5.981 -18, .573 1.00 29.86 MOLB

ATOM 3425 O GLU 185 28. .633 4.854 -18, .438 1.00 27.44 MOLB

ATOM 3426 N VAL 186 29. .325 6.775 -17, .536 1.00 33.95 MOLB

ATOM 3427 CA VAL 186 29, .047 6.308 -16, .174 1.00 37.01 MOLB

ATOM 3428 CB VAL 186 30, .132 6.823 -15. .171 1.00 39.10 MOLB

ATOM 3429 CGI VAL 186 31, .074 5.672 -14. .757 1.00 37.94 MOLB

ATOM 3430 CG2 VAL 186 30, .936 7.971 -15. .812 1.00 35.66 MOLB

ATOM 3431 C VAL 186 27, .677 6.673 -15, .599 1.00 38.24 MOLB

ATOM 3432 O VAL 186 27, .503 7.764 -15, .056 1.00 41.72 MOLB

ATOM 3433 N GLY 187 26, .700 5.782 -15, .725 1.00 36.95 MOLB

ATOM 3434 CA GLY 187 25, .408 6.069 -15, .131 1.00 35.09 MOLB

ATOM 3435 C GLY 187 24. .198 6.532 -15. .919 1.00 33.83 MOLB

ATOM 3436 O GLY 187 23, .100 6.034 -15, .670 1.00 37.07 MOLB

ATOM 3437 N PHE 188 24, .348 7.470 -16. .847 1.00 31.21 MOLB

ATOM 3438 CA PHΞ 188 23, .172 7.922 -17, .582 1.00 28.97 MOLB

ATOM 3439 CB PHE 188 23, .196 9.447 -17, .757 1.00 31.78 MOLB

ATOM 3440 CG PHE 188 23, .242 10.191 -16, .463 1.00 34.72 MOLB

ATOM 3441 CDl PHΞ 188 24, .422 10.801 -16, .046 1.00 38.38 MOLB

ATOM 3442 CD2 PHΞ 188 22. .139 10.211 -15, .617 1.00 35.66 MOLB

ATOM 3443 CB1 PHΞ 188 24, .501 11.420 -14, .796 1.00 38.09 MOLB

ATOM 3444 CE2 PHΞ 188 22, .206 10.828 -14, .366 1.00 36.40 MOLB

ATOM 3445 CZ PHΞ 188 23, .391 11.433 -13, .956 1.00 37.18 MOLB

ATOM 3446 C PHΞ 188 22, .910 7.267 -18. .934 1.00 27.12 MOLB

ATOM 3447 O PHΞ 188 22 .086 7.754 -19, .701 1.00 27.02 MOLB ATOM 3448 N GLY 189 23.574 6.160 -19.236 1.00 25.66 MOLB

ATOM 3449 CA GLY 189 23.317 5.530 -20.520 1.00 23.64 MOLB

ATOM 3450 C GLY 189 23.801 6.299 -21.737 1.00 21.51 MOLB

ATOM 3451 O GLY 189 24.381 7.384 -21.626 1.00 20.84 MOLB

ATOM 3452 N MΞT 190 23.544 5.750 -22.915 1.00 21.77 MOLB

ATOM 3453 CA MΞT 190 24.014 6.369 -24.140 1.00 23.68 MOLB

ATOM 3454 CB MΞT 190 25.373 5.749 -24.507 1.00 22.59 MOLB

ATOM 3455 CG MΞT 190 26.145 6.518 -25.576 1.00 23.05 MOLB

ATOM 3456 SD MΞT 190 27.668 5.708 -26.138 1.00 17.18 MOLB

ATOM 3457 CB MΞT 190 28.708 5.993 -24.665 1.00 9.72 MOLB

ATOM 3458 C MΞT 190 23.023 6.149 -25.280 1.00 23.54 MOLB

ATOM 3459 O MΞT 190 22.470 5.071 -25.410 1.00 23.21 MOLB

ATOM 3460 N SΞR 191 22.831 7.178 -26.108 1.00 24.67 MOLB

ATOM 3461 CA SΞR 191 21.914 7.107 -27.256 1.00 23.05 MOLB

ATOM 3462 CB SΞR 191 21.287 8.469 -27.534 1.00 26.50 MOLB

ATOM 3463 OG SΞR 191 22.126 9.252 -28.369 1.00 31.68 MOLB

ATOM 3464 C SΞR 191 22.617 6.643 -28.533 1.00 21.39 MOLB

ATOM 3465 O SΞR 191 23.841 6.685 -28.634 1.00 19.97 MOLB

ATOM 3466 N LYS 192 21.843 6.234 -29.530 1.00 21.74 MOLB

ATOM 3467 CA LYS 192 22.430 5.788 -30.783 1.00 22.24 MOLB

ATOM 3468 CB LYS 192 21.361 5.181 -31.703 1.00 23.84 MOLB

ATOM 3469 CG LYS 192 20.043 5.943 -31.725 1.00 26.10 MOLB

ATOM 3470 CD LYS 192 18.984 5.161 -32.483 1.00 26.10 MOLB

ATOM 3471 CB LYS 192 17.712 5.951 -32.608 1.00 26.84 MOLB

ATOM 3472 NZ LYS 192 17.124 5.765 -33.960 1.00 28.50 MOLB

ATOM 3473 C LYS 192 23.157 6.938 -31.466 1.00 21.58 MOLB

ATOM 3474 O LYS 192 24.051 6.714 -32.274 1.00 21.23 MOLB

ATOM 3475 N ALA 193 22.792 8.173 -31.130 1.00 20.10 MOLB

ATOM 3476 CA ALA 193 23.474 9.319 -31.726 1.00 18.33 MOLB

ATOM 3477 CB ALA 193 22.687 10.571 -31.534 1.00 10.84 MOLB

ATOM 3478 C ALA 193 24.835 9.453 -31.061 1.00 21.69 MOLB

ATOM 3479 O ALA 193 25.852 9.631 -31.731 1.00 24.62 MOLB

ATOM 3480 N SΞR 194 24.863 9.359 -29.735 1.00 21.04 MOLB

ATOM 3481 CA SER 194 26.121 9.472 -29.010 1.00 20.03 MOLB

ATOM 3482 CB SΞR 194 25.905 9.384 -27.508 1.00 17.85 MOLB

ATOM 3483 OG SΞR 194 25.267 10.546 -27.023 1.00 23.64 MOLB

ATOM 3484 C SΞR 194 27.071 8.371 -29.423 1.00 19.05 MOLB

ATOM 3485 O SΞR 194 28.258 8.606 -29.621 1.00 19.85 MOLB

ATOM 3486 N ALA 195 26.550 7.162 -29.539 1.00 18.25 MOLB

ATOM 3487 CA ALA 195 27.378 6.041 -29.914 1.00 19.14 MOLB

ATOM 3488 CB ALA 195 26.575 4.739 -29.836 1.00 15.29 MOLB

ATOM 3489 C ALA 195 27.924 6.259 -31.324 1.00 20.42 MOLB

ATOM 3490 O ALA 195 29.111 6.029 -31.576 1.00 20.72 MOLB

ATOM 3491 N GLY 196 27.064 6.706 -32.233 1.00 17.87 MOLB

ATOM 3492 CA GLY 196 27.505 6.938 -33.592 1.00 18.70 MOLB

ATOM 3493 C GLY 196 28.646 7.934 -33.688 1.00 18.91 MOLB

ATOM 3494 O GLY 196 29.540 7.771 -34.498 1.00 20.32 MOLB

ATOM 3495 N LYS 197 28.628 8.975 -32.870 1.00 18.14 MOLB

ATOM 3496 CA LYS 197 29.696 9.950 -32.926 1.00 18.08 MOLB

ATOM 3497 CB LYS 197 29.351 11.178 -32.093 1.00 20.92 MOLB

ATOM 3498 CG LYS 197 28.282 12.041 -32.689 1.00 22.47 MOLB

ATOM 3499 CD LYS 197 28.165 13.322 -31.894 1.00 28.69 MOLB

ATOM 3500 CB LYS 197 27.109 14.241 -32.465 1.00 26.98 MOLB

ATOM 3501 NZ LYS 197 26.971 15.459 -31.629 1.00 34.00 MOLB

ATOM 3502 C LYS 197 31.000 9.353 -32.429 1.00 19.32 MOLB ATOM 3503 O LYS 197 32.,035 9.535 -33,.053 1.00 24.23 MOLB

ATOM 3504 N LΞU 198 30. ,955 8.640 -31, .308 1.00 19.04 MOLB

ATOM 3505 CA LΞU 198 32. .157 8.039 -30, .756 1.00 16.93 MOLB

ATOM 3506 CB LΞU 198 31. .839 7.393 -29, .412 1.00 15.18 MOLB

ATOM 3507 CG LEU 198 31. .487 8.442 -28, .348 1.00 18.40 MOLB

ATOM 3508 CDl LEU 198 30. .725 7.812 -27, .186 1.00 16.06 MOLB

ATOM 3509 CD2 LΞU 198 32. .766 9.128 -27. .862 1.00 17.40 MOLB

ATOM 3510 C LΞU 198 32. .729 7.031 -31. .752 1.00 16.80 MOLB

ATOM 3511 O LΞU 198 33. .909 7.083 -32, .065 1.00 13.76 MOLB

ATOM 3512 N TYR 199 31. .885 6.137 -32, .267 1.00 17.76 MOLB

ATOM 3513 CA TYR 199 32. .309 5.131 -33, .256 1.00 16.61 MOLB

ATOM 3514 CB TYR 199 31. .079 4.356 -33, .781 1.00 12.32 MOLB

ATOM 3515 CG TYR 199 30, .631 3.254 -32, .840 1.00 11.59 MOLB

ATOM 3516 CDl TYR 199 29. .289 2.925 -32. .679 1.00 9.92 MOLB

ATOM 3517 CB1 TYR 199 28. .903 1.938 -31. .792 1.00 12.03 MOLB

ATOM 3518 CD2 TYR 199 31. .566 2.563 -32. .090 1.00 12.04 MOLB

ATOM 3519 CΞ2 TYR 199 31, .194 1.577 -31. .202 1.00 13.61 MOLB

ATOM 3520 CZ TYR 199 29, .859 1.255 -31. .048 1.00 13.94 MOLB

ATOM 3521 OH TYR 199 29. .511 0.230 -30, .161 1.00 13.76 MOLB

ATOM 3522 C TYR 199 33. .059 5.785 -34, .422 1.00 16.52 MOLB

ATOM 3523 O TYR 199 34, .187 5.420 -34, .738 1.00 13.10 MOLB

ATOM 3524 N GLU 200 32. .404 6.762 -35. .039 1.00 20.59 MOLB

ATOM 3525 CA GLU 200 32. ,910 7.549 -36, .161 1.00 23.18 MOLB

ATOM 3526 CB GLU 200 31. .861 8.606 -36, .521 1.00 26.95 MOLB

ATOM 3527 CG GLU 200 31, .572 8.787 -38, .009 1.00 37.08 MOLB

ATOM 3528 CD GLU 200 32. .705 9.489 -38, .732 1.00 44.41 MOLB

ATOM 3529 OBI GLU 200 33. .194 10.512 -38, .203 1.00 45.68 MOLB

ATOM 3530 OΞ2 GLU 200 33. .106 9.019 -39, .826 1.00 46.86 MOLB

ATOM 3531 C GLU 200 34, .235 8.224 -35, .781 1.00 23.76 MOLB

ATOM 3532 O GLU 200 35. .160 8.271 -36, .584 1.00 28.11 MOLB

ATOM 3533 N ALA 201 34, .323 8.735 -34, .554 1.00 21.93 MOLB

ATOM 3534 CA ALA 201 35, .533 9.404 -34, .079 1.00 20.88 MOLB

ATOM 3535 CB ALA 201 35, .282 10.055 -32, .726 1.00 19.59 MOLB

ATOM 3536 C ALA 201 36, .702 8.428 -33, .967 1.00 20.43 MOLB

ATOM 3537 O ALA 201 37, .858 8.837 -33. .931 1.00 21.04 MOLB

ATOM 3538 N GLY 202 36. .399 7.137 -33, .878 1.00 19.17 MOLB

ATOM 3539 CA GLY 202 37, .451 6.144 -33, .772 1.00 17.10 MOLB

ATOM 3540 C GLY 202 37. .344 5.167 -32, .618 1.00 17.77 MOLB

ATOM 3541 O GLY 202 38. .129 4.219 -32, .547 1.00 17.91 MOLB

ATOM 3542 N ALA 203 36, .393 5.392 -31, .712 1.00 15.20 MOLB

ATOM 3543 CA ALA 203 36, .199 4.527 -30, .560 1.00 10.99 MOLB

ATOM 3544 CB ALA 203 34, .974 5.004 -29, .769 1.00 10.50 MOLB

ATOM 3545 C ALA 203 36, .007 3.074 -31, .005 1.00 10.55 MOLB

ATOM 3546 O ALA 203 35, .176 2.817 -31, .875 1.00 15.65 MOLB

ATOM 3547 N ALA 204 36, .752 2.121 -30, .439 1.00 7.24 MOLB

ATOM 3548 CA ALA 204 36, .579 0.708 -30, .807 1.00 6.05 MOLB

ATOM 3549 CB ALA 204 37, .765 -0.151 -30, .351 1.00 1.45 MOLB

ATOM 3550 C ALA 204 35, .328 0.181 -30, .158 1.00 8.12 MOLB

ATOM 3551 O ALA 204 34, .718 -0.784 -30 .619 1.00 12.95 MOLB

ATOM 3552 N ALA 205 34, .925 0.788 -29, .067 1.00 7.87 MOLB

ATOM 3553 CA ALA 205 33, .738 0.291 -28, .434 1.00 10.78 MOLB

ATOM 3554 CB ALA 205 34, .071 -0.962 -27, .690 1.00 8.04 MOLB

ATOM 3555 C ALA 205 33, .182 1.327 -27, .500 1.00 12.87 MOLB

ATOM 3556 O ALA 205 33, .761 2.410 -27, .331 1.00 12.33 MOLB

ATOM 3557 N VAL 206 32, .032 1.012 -26, .919 1.00 11.96 MOLB ATOM 3558 CA VAL 206 31.422 1.918 -25.959 1.00 14.50 MOLB

ATOM 3559 CB VAL 206 30.189 2.638 -26.507 1.00 12.13 MOLB

ATOM 3560 CGI VAL 206 30.604 3.642 -27.562 1.00 6.64 MOLB

ATOM 3561 CG2 VAL 206 29.203 1.640 -27.060 1.00 7.73 MOLB

ATOM 3562 C VAL 206 31.005 1.068 -24.784 1.00 18.49 MOLB

ATOM 3563 O VAL 206 30.584 -0.085 -24.954 1.00 17.97 MOLB

ATOM 3564 N ASP 207 31.166 1.640 -23.596 1.00 18.34 MOLB

ATOM 3565 CA ASP 207 30.829 0.959 -22.362 1.00 19.85 MOLB

ATOM 3566 CB ASP 207 32.046 0.962 -21.437 1.00 19.43 MOLB

ATOM 3567 CG ASP 207 31.871 0.063 -20.242 1.00 22.56 MOLB

ATOM 3568 OD1 ASP 207 32.861 -0.237 -19.547 1.00 25.36 MOLB

ATOM 3569 OD2 ASP 207 30.733 -0.352 -19.980 1.00 31.42 MOLB

ATOM 3570 C ASP 207 29.631 1.651 -21.717 1.00 22.09 MOLB

ATOM 3571 O ASP 207 29.761 2.739 -21.161 1.00 25.76 MOLB

ATOM 3572 N ILΞ 208 28.464 1.013 -21.799 1.00 22.88 MOLB

ATOM 3573 CA ILΞ 208 27.221 1.552 -21.252 1.00 24.12 MOLB

ATOM 3574 CB ILΞ 208 25.982 0.887 -21.898 1.00 24.91 MOLB

ATOM 3575 CG2 ILΞ 208 24.711 1.632 -21.480 1.00 27.86 MOLB

ATOM 3576 CGI ILΞ 208 26.092 0.909 -23.424 1.00 17.63 MOLB

ATOM 3577 CDl ILΞ 208 26.443 2.265 -23.925 1.00 24.66 MOLB

ATOM 3578 C ILΞ 208 27.113 1.296 -19.765 1.00 27.00 MOLB

ATOM 3579 O ILΞ 208 27.162 0.157 -19.326 1.00 25.22 MOLB

ATOM 3580 N GLY 209 26.931 2.374 -19.013 1.00 35.28 MOLB

ATOM 3581 CA GLY 209 26.799 2.279 -17.567 1.00 44.71 MOLB

ATOM 3582 C GLY 209 25.491 2.885 -17.046 1.00 48.77 MOLB

ATOM 3583 O GLY 209 25.349 3.108 -15.828 1.00 52.24 MOLB

ATOM 3584 N GLY 210 24.539 3.140 -17.948 1.00 47.93 MOLB

ATOM 3585 CA GLY 210 23.265 3.702 -17.546 1.00 49.81 MOLB

ATOM 3586 C GLY 210 22.444 2.802 -16.649 1.00 50.92 MOLB

ATOM 3587 O GLY 210 21.243 3.001 -16.457 1.00 50.29 MOLB

ATOM 3588 N ARG 226 22.527 21.358 -4.893 1.00 57.93 MOLB

ATOM 3589 CA ARG 226 21.084 21.434 -4.649 1.00 60.77 MOLB

ATOM 3590 CB ARG 226 20.772 22.636 -3.752 0.00 60.12 MOLB

ATOM 3591 CG ARG 226 21.464 22.570 -2.393 0.00 60.08 MOLB

ATOM 3592 CD ARG 226 21.247 23.835 -1.573 0.00 60.15 MOLB

ATOM 3593 NΞ ARG 226 19.853 24.013 -1.176 0.00 60.57 MOLB

ATOM 3594 CZ ARG 226 19.428 24.969 -0.355 0.00 60.86 MOLB

ATOM 3595 NHl ARG 226 18.142 25.058 -0.043 0.00 61.15 MOLB

ATOM 3596 NH2 ARG 226 20.291 25.837 0.156 0.00 61.08 MOLB

ATOM 3597 C ARG 226 20.303 21.536 -5.972 1.00 61.80 MOLB

ATOM 3598 O ARG 226 19.243 22.167 -6.044 1.00 58.66 MOLB

ATOM 3599 N GLN 227 20.851 20.895 -7.007 1.00 64.41 MOLB

ATOM 3600 CA GLN 227 20.294 20.864 -8.367 1.00 65.86 MOLB

ATOM 3601 CB GLN 227 21.157 21.704 -9.305 1.00 67.57 MOLB

ATOM 3602 CG GLN 227 21.212 23.157 -8.918 1.00 74.98 MOLB

ATOM 3603 CD GLN 227 22.422 23.876 -9.481 1.00 79.79 MOLB

ATOM 3604 OBI GLN 227 22.578 25.090 -9.284 1.00 81.72 MOLB

ATOM 3605 NΞ2 GLN 227 23.293 23.135 -10.176 1.00 80.43 MOLB

ATOM 3606 C GLN 227 20.306 19.429 -8.866 1.00 64.70 MOLB

ATOM 3607 O GLN 227 19.824 19.122 -9.958 1.00 63.73 MOLB

ATOM 3608 N ILΞ 228 20.894 18.563 -8.052 1.00 64.56 MOLB

ATOM 3609 CA ILΞ 228 21.009 17.152 -8.366 1.00 64.04 MOLB

ATOM 3610 CB ILΞ 228 21.632 16.363 -7.184 1.00 62.81 MOLB

ATOM 3611 CG2 ILΞ 228 21.957 14.934 -7.632 1.00 62.62 MOLB

ATOM 3612 CGI ILΞ 228 22.888 17.079 -6.660 1.00 59.85 MOLB ATOM 3613 CDl ILΞ 228 22..617 18.,306 -5.,760 1.00 55..33 MOLB

ATOM 3614 C ILΞ 228 19. .632 16. ,566 -8. .676 1.00 63, .51 MOLB

ATOM 3615 O ILΞ 228 19. .516 15. .582 -9. ,415 1.00 65. .67 MOLB

ATOM 3616 N SΞR 229 18. .592 17. .180 -8. .113 1.00 59. .82 MOLB

ATOM 3617 CA SΞR 229 17. .228 16. .703 -8. .344 1.00 55. .69 MOLB

ATOM 3618 CB SΞR 229 16. .194 17. .555 -7. .598 1.00 54. .99 MOLB

ATOM 3619 OG SΞR 229 16. .247 18. .916 -7. ,987 1.00 55. .15 MOLB

ATOM 3620 C SΞR 229 16. .906 16. .708 -9. ,827 1.00 51, .80 MOLB

ATOM 3621 O SΞR 229 16. .149 15. .867 -10. .306 1.00 51. .58 MOLB

ATOM 3622 N PHΞ 230 17. .477 17. .661 -10. .554 1.00 49, ,06 MOLB

ATOM 3623 CA PHΞ 230 17. .226 17. .756 -11. .984 1.00 46, .38 MOLB

ATOM 3624 CB PHE 230 18. .088 18. .867 -12. .606 1.00 45, .71 MOLB

ATOM 3625 CG PHE 230 17, .749 20. .253 -12. .115 1.00 48, .83 MOLB

ATOM 3626 CDl PHE 230 18. .703 21. .279 -12. .167 1.00 48, .87 MOLB

ATOM 3627 CD2 PHΞ 230 16. .472 20. .551 -11. .627 1.00 48, .62 MOLB

ATOM 3628 CB1 PHΞ 230 18. .390 22, .582 -11. .741 1.00 45, .74 MOLB

ATOM 3629 CΞ2 PHΞ 230 16. .150 21. ,845 -11. .200 1.00 47, .33 MOLB

ATOM 3630 CZ PHΞ 230 17. .113 22. .860 -11. .258 1.00 46, .67 MOLB

ATOM 3631 C PHΞ 230 17. .523 16. .426 -12. .672 1.00 43. .32 MOLB

ATOM 3632 0 PHΞ 230 16. .935 16. .105 -13. .706 1.00 41. .70 MOLB

ATOM 3633 N PHΞ 231 18. .390 15. .616 -12. .087 1.00 38, .09 MOLB

ATOM 3634 CA PHΞ 231 18. .709 14. .391 -12, .778 1.00 38. .96 MOLB

ATOM 3635 CB PHΞ 231 20. .208 14, .381 -13, .056 1.00 39, .86 MOLB

ATOM 3636 CG PHΞ 231 20. .736 15, .734 -13, .433 1.00 44, .14 MOLB

ATOM 3637 CDl PHΞ 231 21. .446 16. .483 -12. .501 1.00 47, .67 MOLB

ATOM 3638 CD2 PHΞ 231 20, .521 16, .270 -14, .707 1.00 45, .73 MOLB

ATOM 3639 CB1 PHΞ 231 21. .951 17, .749 -12, .828 1.00 50. .51 MOLB

ATOM 3640 CΞ2 PHΞ 231 21. .014 17, .526 -15, .050 1.00 47. .94 MOLB

ATOM 3641 CZ PHΞ 231 21, .736 18, .271 -14, .109 1.00 51, .77 MOLB

ATOM 3642 C PHΞ 231 18. .249 13, .109 -12, .122 1.00 37, .59 MOLB

ATOM 3643 O PHΞ 231 18, .752 12, .032 -12, .407 1.00 35, .54 MOLB

ATOM 3644 N ASN 232 17, .254 13, .225 -11, .267 1.00 39. .72 MOLB

ATOM 3645 CA ASN 232 16, .718 12, .072 -10, .584 1.00 43, .40 MOLB

ATOM 3646 CB ASN 232 15, .627 12, .515 -9, .627 1.00 48. .22 MOLB

ATOM 3647 CG ASN 232 16, .190 13, .217 -8, .420 1.00 54, .12 MOLB

ATOM 3648 OD1 ASN 232 17, .337 13, .682 -8 .439 1.00 54, .20 MOLB

ATOM 3649 ND2 ASN 232 15, .388 13, .299 -7, .348 1.00 58, .92 MOLB

ATOM 3650 C ASN 232 16, .185 11, .033 -11, .550 1.00 44, .17 MOLB

ATOM 3651 O ASN 232 16, .501 9, .847 -11, .426 1.00 46, .21 MOLB

ATOM 3652 N SΞR 233 15, .377 11, .455 -12, .513 1.00 41, .35 MOLB

ATOM 3653 CA SΞR 233 14, .847 10, .506 -13, .479 1.00 40, .57 MOLB

ATOM 3654 CB SΞR 233 13 .322 10, .561 -13, .492 1.00 37, .68 MOLB

ATOM 3655 OG SΞR 233 12, .799 10, .260 -12, .207 1.00 36, .22 MOLB

ATOM 3656 C SΞR 233 15, .408 10, .869 -14, .850 1.00 39, .56 MOLB

ATOM 3657 O SΞR 233 14 .653 10, .992 -15, .816 1.00 43, .89 MOLB

ATOM 3658 N TRP 234 16 .733 11 .036 -14, .915 1.00 32, .93 MOLB

ATOM 3659 CA TRP 234 17, .437 11, .429 -16, .128 1.00 26, .27 MOLB

ATOM 3660 CB TRP 234 18 .393 12, .586 -15, .784 1.00 23, .59 MOLB

ATOM 3661 CG TRP 234 19 .019 13 .284 -16 .975 1.00 22 .01 MOLB

ATOM 3662 CD2 TRP 234 18, .623 14, .553 -17, .521 1.00 21, .22 MOLB

ATOM 3663 CB2 TRP 234 19 .419 14, .782 -18, .674 1.00 18, .49 MOLB

ATOM 3664 CΞ3 TRP 234 17 .670 15 .519 -17, .145 1.00 15, .17 MOLB

ATOM 3665 CDl TRP 234 20, .021 12 .812 -17, .791 1.00 16, .91 MOLB

ATOM 3666 NΞ1 TRP 234 20 .259 13, .705 -18, .816 1.00 15, .69 MOLB

ATOM 3667 CZ2 TRP 234 19 .288 15, .937 -19 .453 1.00 15, .40 MOLB ATOM 3668 CZ3 TRP 234 17.,539 16.661 -17..911 1.00 14.,56 MOLB

ATOM 3669 CH2 TRP 234 18. .345 16.863 -19. ,058 1.00 18. ,20 MOLB

ATOM 3670 C TRP 234 18. ,243 10.279 -16. ,712 1.00 25. ,90 MOLB

ATOM 3671 O TRP 234 18. ,814 9.481 -15. .973 1.00 27. ,98 MOLB

ATOM 3672 N GLY 235 18. ,295 10.199 -18. .037 1.00 22. ,27 MOLB

ATOM 3673 CA GLY 235 19. ,083 9.163 -18. .672 1.00 19. ,15 MOLB

ATOM 3674 C GLY 235 18. ,355 8.108 -19. .487 1.00 19. ,61 MOLB

ATOM 3675 O GLY 235 17. .147 8.156 -19. .688 1.00 20. ,03 MOLB

ATOM 3676 N ILΞ 236 19. .139 7.145 -19. .961 1.00 19. .19 MOLB

ATOM 3677 CA ILΞ 236 18. .662 6.025 -20. .764 1.00 16. .85 MOLB

ATOM 3678 CB ILΞ 236 19. .283 6.072 -22. .179 1.00 14. .55 MOLB

ATOM 3679 CG2 ILΞ 236 18. ,766 4.931 -23. .022 1.00 18. ,07 MOLB

ATOM 3680 CGI ILΞ 236 18. .943 7.416 -22. .834 1.00 12. .20 MOLB

ATOM 3681 CDl ILΞ 236 19. .575 7.624 -24. .182 1.00 5. .16 MOLB

ATOM 3682 C ILΞ 236 19. .157 4.791 -20. .002 1.00 17. .97 MOLB

ATOM 3683 O ILΞ 236 20. .311 4.754 -19. .544 1.00 16. .50 MOLB

ATOM 3684 N SΞR 237 18. .287 3.797 -19. .840 1.00 16. .42 MOLB

ATOM 3685 CA SΞR 237 18. .651 2.602 -19. .097 1.00 17. .30 MOLB

ATOM 3686 CB SΞR 237 17. .405 1.762 -18, .786 1.00 18. ,72 MOLB

ATOM 3687 OG SΞR 237 16. .841 1.194 -19. .958 1.00 25. .82 MOLB

ATOM 3688 C SΞR 237 19. .669 1.766 -19. .869 1.00 18. .12 MOLB

ATOM 3689 O SΞR 237 19, .730 1.833 -21, .102 1.00 16. .10 MOLB

ATOM 3690 N THR 238 20, .466 0.982 -19, .133 1.00 16. .44 MOLB

ATOM 3691 CA THR 238 21. .469 0.131 -19, .757 1.00 13. .97 MOLB

ATOM 3692 CB THR 238 22. .152 -0.833 -18, .747 1.00 13. .46 MOLB

ATOM 3693 OGl THR 238 23. .076 -0.121 -17, .928 1.00 21. .92 MOLB

ATOM 3694 CG2 THR 238 22. .899 -1.916 -19. .480 1.00 13. .63 MOLB

ATOM 3695 C THR 238 20, .754 -0.669 -20, .828 1.00 14. .34 MOLB

ATOM 3696 O THR 238 21, .205 -0.713 -21. .974 1.00 16. .60 MOLB

ATOM 3697 N ALA 239 19, .628 -1.286 -20, .479 1.00 13. .69 MOLB

ATOM 3698 CA ALA 239 18, .892 -2.078 -21, .472 1.00 17. .00 MOLB

ATOM 3699 CB ALA 239 17, .650 -2.655 -20, .862 1.00 16. .34 MOLB

ATOM 3700 C ALA 239 18, .515 -1.299 -22. .727 1.00 18. .78 MOLB

ATOM 3701 O ALA 239 18, .809 -1.728 -23, .855 1.00 19, .01 MOLB

ATOM 3702 N ALA 240 17, .846 -0.165 -22, .532 1.00 17, .78 MOLB

ATOM 3703 CA ALA 240 17, .411 0.647 -23, .664 1.00 19, .36 MOLB

ATOM 3704 CB ALA 240 16, .650 1.856 -23 .177 1.00 18, .42 MOLB

ATOM 3705 C ALA 240 18, .607 1.073 -24 .509 1.00 21, .45 MOLB

ATOM 3706 O ALA 240 18, .566 0.991 -25, .742 1.00 22, .84 MOLB

ATOM 3707 N SΞR 241 19, .680 1.501 -23, .848 1.00 20, .00 MOLB

ATOM 3708 CA SΞR 241 20, .886 1.924 -24, .547 1.00 20. .89 MOLB

ATOM 3709 CB SΞR 241 21, .999 2.248 -23 .552 1.00 21, .80 MOLB

ATOM 3710 OG SΞR 241 21, .606 3.250 -22 .639 1.00 25. .65 MOLB

ATOM 3711 C SΞR 241 21 .402 0.857 -25 .500 1.00 22, .37 MOLB

ATOM 3712 O SΞR 241 21 .627 1.127 -26 .686 1.00 22, .35 MOLB

ATOM 3713 N LΞU 242 21 .601 -0.353 -24 .984 1.00 21, .33 MOLB

ATOM 3714 CA LΞU 242 22 .114 -1.435 -25 .811 1.00 20, .17 MOLB

ATOM 3715 CB LΞU 242 22 .247 -2.725 -24 .992 1.00 16, .33 MOLB

ATOM 3716 CG LΞU 242 23 .175 -2.688 -23 .773 1.00 15, .62 MOLB

ATOM 3717 CDl LΞU 242 22 .817 -3.840 -22 .849 1.00 15, .14 MOLB

ATOM 3718 CD2 LΞU 242 24 .637 -2.745 -24 .207 1.00 11, .60 MOLB

ATOM 3719 C LΞU 242 21 .209 -1.672 -27 .008 1.00 23, .70 MOLB

ATOM 3720 O LΞU 242 21 .676 -1.722 -28 .152 1.00 25, .16 MOLB

ATOM 3721 N ALA 243 19 .909 -1.818 -26 .754 1.00 21, .76 MOLB

ATOM 3722 CA ALA 243 18 .978 -2.068 -27 .844 1.00 18, .75 MOLB ATOM 3723 CB ALA 243 17.576 -2.252 -27..311 1.00 17..53 MOLB

ATOM 3724 C ALA 243 19.032 -0.928 -28. .853 1.00 20. ,69 MOLB

ATOM 3725 O ALA 243 18.966 -1.165 -30. .049 1.00 24. .32 MOLB

ATOM 3726 N GLU 244 19.166 0.310 -28. .387 1.00 21. ,83 MOLB

ATOM 3727 CA GLU 244 19.229 1.463 -29. .302 1.00 23. ,43 MOLB

ATOM 3728 CB GLU 244 19.213 2.781 -28. .522 1.00 22. ,23 MOLB

ATOM 3729 CG GLU 244 18.028 3.653 -28. .748 1.00 22. ,70 MOLB

ATOM 3730 CD GLU 244 18.172 4.977 -28. .050 1.00 22. .91 MOLB

ATOM 3731 OBI GLU 244 19.211 5.612 -28. .257 1.00 26. .36 MOLB

ATOM 3732 OΞ2 GLU 244 17.267 5.388 -27. .303 1.00 18. .59 MOLB

ATOM 3733 C GLU 244 20.487 1.454 -30. .159 1.00 23. .81 MOLB

ATOM 3734 O GLU 244 20.422 1.523 -31. .387 1.00 21. ,55 MOLB

ATOM 3735 N ILΞ 245 21.640 1.404 -29. .507 1.00 21. ,95 MOLB

ATOM 3736 CA ILΞ 245 22.888 1.412 -30. .241 1.00 21. ,74 MOLB

ATOM 3737 CB ILΞ 245 24.065 1.439 -29. .258 1.00 21. ,96 MOLB

ATOM 3738 CG2 ILΞ 245 25.390 1.462 -29. .997 1.00 20. ,80 MOLB

ATOM 3739 CGI ILΞ 245 23.923 2.676 -28. .366 1.00 22. ,43 MOLB

ATOM 3740 CDl ILΞ 245 24.877 2.708 -27. .193 1.00 19. ,15 MOLB

ATOM 3741 C ILΞ 245 22.997 0.208 -31. .176 1.00 23. ,25 MOLB

ATOM 3742 O ILΞ 245 23.533 0.309 -32. .278 1.00 21. ,42 MOLB

ATOM 3743 N ARG 246 22.461 -0.929 -30. .750 1.00 23. .94 MOLB

ATOM 3744 CA ARG 246 22.531 -2.117 -31. .570 1.00 21. .81 MOLB

ATOM 3745 CB ARG 246 22.020 -3.324 -30, .804 1.00 20, .42 MOLB

ATOM 3746 CG ARG 246 22.302 -4.642 -31, .520 1.00 19, .23 MOLB

ATOM 3747 CD ARG 246 21.756 -5.792 -30, .724 1.00 19, .72 MOLB

ATOM 3748 NΞ ARG 246 22.233 -7.057 -31, .253 1.00 26. .30 MOLB

ATOM 3749 CZ ARG 246 22.029 -8.255 -30, .705 1.00 29. .55 MOLB

ATOM 3750 NHl ARG 246 22.531 -9.329 -31. .301 1.00 32. .30 MOLB

ATOM 3751 NH2 ARG 246 21.334 -8.391 -29, .579 1.00 28. .92 MOLB

ATOM 3752 C ARG 246 21.733 -1.965 -32, .847 1.00 22, .52 MOLB

ATOM 3753 O ARG 246 22.120 -2.468 -33, .892 1.00 23. .41 MOLB

ATOM 3754 N SΞR 247 20.617 -1.264 -32, .771 1.00 19. .01 MOLB

ATOM 3755 CA SΞR 247 19.789 -1.088 -33, .940 1.00 18. .68 MOLB

ATOM 3756 CB SER 247 18.517 -33, .567 1.00 20. .57 MOLB

ATOM 3757 OG SΞR 247 18.756 1.044 -33, .532 1.00 29, .17 MOLB

ATOM 3758 C SΞR 247 20.474 -0.338 -35, .071 1.00 20, .16 MOLB

ATOM 3759 O SΞR 247 20.269 -0.661 -36, .225 1.00 21, .55 MOLB

ATOM 3760 N GLU 248 21.285 0.665 -34 .742 1.00 22, .21 MOLB

ATOM 3761 CA GLU 248 21.979 1.473 -35, .750 1.00 22. .90 MOLB

ATOM 3762 CB GLU 248 22.202 2.894 -35, .261 1.00 25, .76 MOLB

ATOM 3763 CG GLU 248 20.967 3.738 -35, .101 1.00 35, .11 MOLB

ATOM 3764 CD GLU 248 20.350 4.100 -36, .430 1.00 38, .00 MOLB

ATOM 3765 OBI GLU 248 19.273 4.737 -36 .438 1.00 41, .11 MOLB

ATOM 3766 OΞ2 GLU 248 20.949 3.749 -37 .463 1.00 39, .87 MOLB

ATOM 3767 C GLU 248 23.325 0.927 -36 .133 1.00 23 .42 MOLB

ATOM 3768 O GLU 248 23.828 1.234 -37 .218 1.00 25 .18 MOLB

ATOM 3769 N PHΞ 249 23.942 0.167 -35 .231 1.00 23 .86 MOLB

ATOM 3770 CA PHΞ 249 25.273 -0.387 -35 .482 1.00 27 .62 MOLB

ATOM 3771 CB PHΞ 249 26.351 0.417 -34 .739 1.00 25 .58 MOLB

ATOM 3772 CG PHE 249 26.195 1.900 -34 .877 1.00 25 .95 MOLB

ATOM 3773 CDl PHE 249 25.672 2.651 -33 .834 1.00 26 .05 MOLB

ATOM 3774 CD2 PHE 249 26.535 2.543 -36 .063 1.00 24, .32 MOLB

ATOM 3775 CB1 PHΞ 249 25.486 4.021 -33 .969 1.00 24, .85 MOLB

ATOM 3776 CΞ2 PHΞ 249 26.351 3.915 -36 .202 1.00 21, .03 MOLB

ATOM 3777 CZ PHΞ 249 25.827 4.652 -35 .156 1.00 20 .17 MOLB ATOM 3778 C PHΞ 249 25.346 -1.835 -35.050 1.00 29.39 MOLB

ATOM 3779 O PHΞ 249 25.941 -2.162 -34.024 1.00 30.36 MOLB

ATOM 3780 N PRO 250 24.757 -2.739 -35.852 1.00 31.23 MOLB

ATOM 3781 CD PRO 250 24.168 -2.419 -37.164 1.00 29.65 MOLB

ATOM 3782 CA PRO 250 24.700 -4.189 -35.618 1.00 29.25 MOLB

ATOM 3783 CB PRO 250 24.085 -4.713 -36.895 1.00 29.71 MOLB

ATOM 3784 CG PRO 250 23.260 -3.585 -37.375 1.00 31.40 MOLB

ATOM 3785 C PRO 250 26.015 -4.871 -35.339 1.00 31.12 MOLB

ATOM 3786 0 PRO 250 26.099 -5.709 -34.451 1.00 34.22 MOLB

ATOM 3787 N ALA 251 27.040 -4.521 -36.105 1.00 33.28 MOLB

ATOM 3788 CA ALA 251 28.351 -5.142 -35.956 1.00 32.96 MOLB

ATOM 3789 CB ALA 251 28.959 -5.374 -37.330 1.00 31.50 MOLB

ATOM 3790 C ALA 251 29.339 -4.382 -35.089 1.00 33.37 MOLB

ATOM 3791 O ALA 251 30.538 -4.656 -35.138 1.00 37.76 MOLB

ATOM 3792 N SΞR 252 28.851 -3.440 -34.287 1.00 30.12 MOLB

ATOM 3793 CA SΞR 252 29.740 -2.664 -33.427 1.00 27.48 MOLB

ATOM 3794 CB SΞR 252 29.326 -1.202 -33.408 1.00 27.89 MOLB

ATOM 3795 OG SΞR 252 29.839 -0.515 -34.538 1.00 28.82 MOLB

ATOM 3796 C SΞR 252 29.836 -3.189 -32.009 1.00 26.43 MOLB

ATOM 3797 0 SΞR 252 28.829 -3.564 -31.410 1.00 28.48 MOLB

ATOM 3798 N THR 253 31.055 -3.203 -31.468 1.00 25.11 MOLB

ATOM 3799 CA THR 253 31.300 -3.705 -30.115 1.00 22.87 MOLB

ATOM 3800 CB THR 253 32.808 -3.816 -29.795 1.00 21.09 MOLB

ATOM 3801 OGl THR 253 33.433 -4.730 -30.701 1.00 22.69 MOLB

ATOM 3802 CG2 THR 253 33.001 -4.314 -28.348 1.00 18.25 MOLB

ATOM 3803 C THR 253 30.688 -2.870 -29.008 1.00 24.00 MOLB

ATOM 3804 O THR 253 30.985 -1.681 -28.864 1.00 26.08 MOLB

ATOM 3805 N MΞT 254 29.846 -3.514 -28.208 1.00 23.98 MOLB

ATOM 3806 CA MΞT 254 29.221 -2.836 -27.077 1.00 21.79 MOLB

ATOM 3807 CB MΞT 254 27.687 -2.860 -27.179 1.00 20.21 MOLB

ATOM 3808 CG MΞT 254 27.070 -1.959 -28.193 1.00 17.91 MOLB

ATOM 3809 SD MΞT 254 25.275 -1.870 -27.947 1.00 26.42 MOLB

ATOM 3810 CB MΞT 254 24.742 -3.433 -28.397 1.00 16.41 MOLB

ATOM 3811 C MΞT 254 • 18 -3.547 -25.780 1.00 21.91 MOLB

ATOM 3812 0 MΞT 254 29.801 -4.775 -25.748 1.00 23.14 MOLB

ATOM 3813 N ILΞ 255 29.745 -2.770 -24.709 1.00 20.77 MOLB

ATOM 3814 CA ILΞ 255 30.075 -3.325 -23.393 1.00 16.99 MOLB

ATOM 3815 CB ILΞ 255 31.501 -2.931 -22.946 1.00 14.53 MOLB

ATOM 3816 CG2 ILΞ 255 31.706 -3.300 -21.491 1.00 16.91 MOLB

ATOM 3817 CGI ILΞ 255 32.533 -3.645 -23.830 1.00 12.24 MOLB

ATOM 3818 CDl ILΞ 255 33.937 -3.105 -23.741 1.00 12.29 MOLB

ATOM 3819 C ILΞ 255 29.049 -2.774 -22.412 1.00 17.95 MOLB

ATOM 3820 0 ILΞ 255 28.558 -1.662 -22.574 1.00 18.28 MOLB

ATOM 3821 N ALA 256 28.691 -3.551 -21.408 1.00 17.60 MOLB

ATOM 3822 CA ALA 256 27.722 -3.078 -20.438 1.00 17.99 MOLB

ATOM 3823 CB ALA 256 26.445 -3.924 -20.519 1.00 14.39 MOLB

ATOM 3824 C ALA 256 28.360 -3.240 -19.076 1.00 22.01 MOLB

ATOM 3825 O ALA 256 28.939 -4.284 -18.806 1.00 28.79 MOLB

ATOM 3826 N SΞR 257 28.297 -2.235 -18.214 1.00 21.74 MOLB

ATOM 3827 CA SΞR 257 28.861 -2.429 -16.891 1.00 24.90 MOLB

ATOM 3828 CB SΞR 257 30.357 -2.079 -16.863 1.00 26.51 MOLB

ATOM 3829 OG SΞR 257 30.628 -0.821 -17.437 1.00 36.61 MOLB

ATOM 3830 C SΞR 257 28.062 -1.655 -15.863 1.00 24.49 MOLB

ATOM 3831 O SΞR 257 27.349 -0.719 -16.214 1.00 27.36 MOLB

ATOM 3832 N GLY 258 28.110 -2.082 -14.604 1.00 25.49 MOLB ATOM 3833 CA GLY 258 27.,348 -1.396 -13..567 1.00 26..69 MOLB

ATOM 3834 C GLY 258 25. ,874 -1.774 -13. .432 1.00 25. .84 MOLB

ATOM 3835 O GLY 258 25. ,079 -1.559 -14. .351 1.00 26. .61 MOLB

ATOM 3836 N GLY 259 25. ,514 -2.329 -12. ,276 1.00 26. .01 MOLB

ATOM 3837 CA GLY 259 24. ,139 -2.725 -12. .020 1.00 26. .84 MOLB

ATOM 3838 C GLY 259 23. ,869 -4.187 -12. .283 1.00 27. .95 MOLB

ATOM 3839 O GLY 259 22. ,817 -4.709 -11. .902 1.00 30. .01 MOLB

ATOM 3840 N LΞU 260 24. ,818 -4.843 -12. .942 1.00 26. .56 MOLB

ATOM 3841 CA LΞU 260 24. ,682 -6.243 -13. .255 1.00 26. .49 MOLB

ATOM 3842 CB LΞU 260 25. ,725 -6.660 -14. .268 1.00 23. .96 MOLB

ATOM 3843 CG LΞU 260 25. ,760 -5.761 -15. .498 1.00 21. .35 MOLB

ATOM 3844 CDl LΞU 260 26. ,762 -6.338 -16. .435 1.00 22. .68 MOLB

ATOM 3845 CD2 LΞU 260 24. ,402 -5.669 -16. ,163 1.00 20. .52 MOLB

ATOM 3846 C LΞU 260 24. ,863 -6.998 -11. .970 1.00 31. ,30 MOLB

ATOM 3847 O LΞU 260 25. .968 -7.316 -11. .557 1.00 35. .33 MOLB

ATOM 3848 N GLN 261 23. .741 -7.302 -11, .346 1.00 36. .58 MOLB

ATOM 3849 CA GLN 261 23. .735 -7.990 -10, .076 1.00 38. .52 MOLB

ATOM 3850 CB GLN 261 22. .333 -7.921 -9, .490 1.00 44. .23 MOLB

ATOM 3851 CG GLN 261 21. .843 -6.487 -9. .280 1.00 52. .19 MOLB

ATOM 3852 CD GLN 261 20. ,320 -6.386 -9. .245 1.00 59. .00 MOLB

ATOM 3853 OBI GLN 261 19. .756 -5.364 -8, .822 1.00 61, .49 MOLB

ATOM 3854 NΞ2 GLN 261 19. .645 -7.445 -9, .699 1.00 61, .63 MOLB

ATOM 3855 C GLN 261 24. .206 -9.433 -10, .137 1.00 35. .72 MOLB

ATOM 3856 O GLN 261 24. .929 -9.888 -9, .258 1.00 36, .16 MOLB

ATOM 3857 N ASP 262 23. .822 -10.151 -11, .180 1.00 33, .18 MOLB

ATOM 3858 CA ASP 262 24. .203 -11.549 -11, .277 1.00 34, .43 MOLB

ATOM 3859 CB ASP 262 23. .095 -12.417 -10, .647 1.00 38, .14 MOLB

ATOM 3860 CG ASP 262 21. .697 -12.126 -11, .213 1.00 39, .97 MOLB

ATOM 3861 OD1 ASP 262 21. ,548 -11.988 -12, .448 1.00 41. .81 MOLB

ATOM 3862 OD2 ASP 262 20. .736 -12.063 -10, .421 1.00 42, .99 MOLB

ATOM 3863 C ASP 262 24. .517 -12.043 -12, .689 1.00 33, .07 MOLB

ATOM 3864 O ASP 262 24. .744 -11.248 -13, .603 1.00 32, .86 MOLB

ATOM 3865 N ALA 263 24. .535 -13.363 -12, .856 1.00 29, .30 MOLB

ATOM 3866 CA ALA 263 24, .815 -13.956 -14, .155 1.00 28, .26 MOLB

ATOM 3867 CB ALA 263 25, .127 -15.452 -14, .010 1.00 27, .74 MOLB

ATOM 3868 C ALA 263 23, .664 -13.752 -15, .138 1.00 25, .71 MOLB

ATOM 3869 O ALA 263 23, .897 -13.589 -16, .339 1.00 25, .96 MOLB

ATOM 3870 N LΞU 264 22. .425 -13.747 -14, .644 1.00 22, .83 MOLB

ATOM 3871 CA LEU 264 21, .280 -13.547 -15 .538 1.00 18, .69 MOLB

ATOM 3872 CB LΞU 264 19, .962 -13.782 -14 .807 1.00 13 .86 MOLB

ATOM 3873 CG LΞU 264 18, .683 -13.656 -15 .657 1.00 13, .81 MOLB

ATOM 3874 CDl LΞU 264 18, .804 -14.559 -16 .870 1.00 13 .72 MOLB

ATOM 3875 CD2 LΞU 264 17, .439 -14.002 -14 .843 1.00 3 .45 MOLB

ATOM 3876 C LΞU 264 21, .311 -12.155 -16 .162 1.00 18, .60 MOLB

ATOM 3877 O LΞU 264 20, .908 -11.976 -17 .312 1.00 17, .91 MOLB

ATOM 3878 N ASP 265 21, .797 -11.177 -15 .401 1.00 18 .81 MOLB

ATOM 3879 CA ASP 265 21, .921 -9.799 -15 .879 1.00 19 .76 MOLB

ATOM 3880 CB ASP 265 22 .425 -8.872 -14 .756 1.00 22 .74 MOLB

ATOM 3881 CG ASP 265 21 .293 -8.369 -13 .868 1.00 27 .28 MOLB

ATOM 3882 OD1 ASP 265 21 .552 -7.815 -12 .768 1.00 26 .36 MOLB

ATOM 3883 OD2 ASP 265 20 .132 -8.524 -14 .298 1.00 28 .11 MOLB

ATOM 3884 C ASP 265 22, .909 -9.807 -17 .033 1.00 21 .39 MOLB

ATOM 3885 O ASP 265 22, .620 -9.301 -18 .130 1.00 20 .42 MOLB

ATOM 3886 N VAL 266 24 .073 -10.405 -16 .785 1.00 17 .32 MOLB

ATOM 3887 CA VAL 266 25 .114 -10.515 -17 .786 1.00 14 .52 MOLB ATOM 3888 CB VAL 266 26.227 -11.417 -17.284 1.00 17.22 MOLB

ATOM 3889 CGI VAL 266 27.252 -11.664 -18.375 1.00 16.03 MOLB

ATOM 3890 CG2 VAL 266 26.871 -10.766 -16.063 1.00 18.75 MOLB

ATOM 3891 C VAL 266 24.519 -11.117 -19.042 1.00 15.73 MOLB

ATOM 3892 O VAL 266 24.728 -10.626 -20.160 1.00 14.44 MOLB

ATOM 3893 N ALA 267 23.770 -12.196 -18.860 1.00 15.93 MOLB

ATOM 3894 CA ALA 267 23.155 -12.864 -19.980 1.00 16.61 MOLB

ATOM 3895 CB ALA 267 22.439 -14.103 -19.514 1.00 16.36 MOLB

ATOM 3896 C ALA 267 22.205 -11.936 -20.715 1.00 17.94 MOLB

ATOM 3897 O ALA 267 22.212 -11.888 -21.944 1.00 18.57 MOLB

ATOM 3898 N LYS 268 21.376 -11.189 -20.000 1.00 15.05 MOLB

ATOM 3899 CA LYS 268 20.457 -10.313 -20.701 1.00 12.74 MOLB

ATOM 3900 CB LYS 268 19.467 -9.706 -19.725 1.00 10.09 MOLB

ATOM 3901 CG LYS 268 18.697 -10.759 -18.940 1.00 11.80 MOLB

ATOM 3902 CD LYS 268 17.538 -10.115 -18.218 1.00 9.67 MOLB

ATOM 3903 CΞ LYS 268 16.620 -11.113 -17.542 1.00 10.58 MOLB

ATOM 3904 NZ LYS 268 15.741 -10.374 -16.570 1.00 13.90 MOLB

ATOM 3905 C LYS 268 21.195 -9.233 -21.475 1.00 15.69 MOLB

ATOM 3906 O LYS 268 20.871 -8.958 -22.631 1.00 17.01 MOLB

ATOM 3907 N ALA 269 22.207 -8.629 -20.853 1.00 15.06 MOLB

ATOM 3908 CA ALA 269 22.988 -7.586 -21.516 1.00 13.16 MOLB

ATOM 3909 CB ALA 269 24.043 -7.036 -20.574 1.00 7.23 MOLB

ATOM 3910 C ALA 269 23.631 -8.140 -22.789 1.00 14.35 MOLB

ATOM 3911 O ALA 269 23.527 -7.537 -23.860 1.00 17.57 MOLB

ATOM 3912 N ILΞ 270 24.278 -9.298 -22.677 1.00 15.74 MOLB

ATOM 3913 CA ILΞ 270 24.924 -9.930 -23.827 1.00 19.04 MOLB

ATOM 3914 CB ILΞ 270 25.711 -11.193 -23.402 1.00 18.62 MOLB

ATOM 3915 CG2 ILE 270 26.196 -11.944 -24.616 1.00 11.65 MOLB

ATOM 3916 CGI ILΞ 270 26.920 -10.806 -22.544 1.00 20.83 MOLB

ATOM 3917 CDl ILΞ 270 27.644 -12.009 -21.930 1.00 20.22 MOLB

ATOM 3918 C ILΞ 270 23.877 -10.296 -24.902 1.00 21.07 MOLB

ATOM 3919 O ILΞ 270 24.163 -10.267 -26.102 1.00 19.39 MOLB

ATOM 3920 N ALA 271 22.663 -10.635 -24.470 1.00 22.23 MOLB

ATOM 3921 CA ALA 271 21.601 -10.979 -25.412 1.00 19 • 65 MOLB

ATOM 3922 CB ALA 271 20.429 -11.625 -24.687 1.00 18.67 MOLB

ATOM 3923 C ALA 271 21.140 -9.718 -26.127 1.00 19.65 MOLB

ATOM 3924 O ALA 271 20.677 -9.779 -27.255 1.00 21.95 MOLB

ATOM 3925 N LΞU 272 21.258 -8.570 -25.469 1.00 18.77 MOLB

ATOM 3926 CA LΞU 272 20.831 -7.329 -26.095 1.00 19.14 MOLB

ATOM 3927 CB LΞU 272 20.492 -6.264 -25.055 1.00 18.10 MOLB

ATOM 3928 CG LΞU 272 19.186 -6.468 -24.288 1.00 17.90 MOLB

ATOM 3929 CDl LΞU 272 19.100 -5.408 -23.199 1.00 20.48 MOLB

ATOM 3930 CD2 LΞU 272 17.987 -6.408 -25.228 1.00 10.93 MOLB

ATOM 3931 C LΞU 272 21.877 -6.790 -27.042 1.00 17.41 MOLB

ATOM 3932 O LΞU 272 21.622 -5.829 -27.754 1.00 17.62 MOLB

ATOM 3933 N GLY 273 23.049 -7.411 -27.049 1.00 15.11 MOLB

ATOM 3934 CA GLY 273 24.080 -6.953 -27.948 1.00 16.26 MOLB

ATOM 3935 C GLY 273 25.457 -6.804 -27.346 1.00 16.80 MOLB

ATOM 3936 O GLY 273 26.431 -6.701 -28.085 1.00 19.91 MOLB

ATOM 3937 N ALA 274 25.567 -6.809 -26.024 1.00 16.30 MOLB

ATOM 3938 CA ALA 274 26.880 -6.646 -25.405 1.00 18.43 MOLB

ATOM 3939 CB ALA 274 26.725 -6.497 -23.904 1.00 16.14 MOLB

ATOM 3940 C ALA 274 27.877 -7.778 -25.729 1.00 18.57 MOLB

ATOM 3941 O ALA 274 27.525 -8.949 -25.716 1.00 16.37 MOLB

ATOM 3942 N SΞR 275 29.125 -7.418 -26.015 1.00 20.65 MOLB ATOM 3943 CA SΞR 275 30.132 -8.428 -26.341 1.00 21.45 MOLB

ATOM 3944 CB SΞR 275 31.118 -7.873 -27.384 1.00 23.00 MOLB

ATOM 3945 OG SΞR 275 30.438 -7.547 -28.584 1.00 29.16 MOLB

ATOM 3946 C SΞR 275 30.865 -8.826 -25.071 1.00 20.38 MOLB

ATOM 3947 O SΞR 275 31.497 -9.875 -24.989 1.00 20.52 MOLB

ATOM 3948 N CYS 276 30.740 -7.967 -24.071 1.00 19.54 MOLB

ATOM 3949 CA CYS 276 31.398 -8.157 -22.790 1.00 18.49 MOLB

ATOM 3950 CB CYS 276 32.817 -7.641 -22.900 1.00 17.49 MOLB

ATOM 3951 SG CYS 276 33.865 -8.344 -21.689 1.00 34.67 MOLB

ATOM 3952 C CYS 276 30.691 -7.371 -21.678 1.00 19.86 MOLB

ATOM 3953 O CYS 276 30.102 -6.327 -21.933 1.00 21.25 MOLB

ATOM 3954 N THR 277 30.732 -7.835 -20.436 1.00 20.32 MOLB

ATOM 3955 CA THR 277 30.096 -7.077 -19.355 1.00 20.62 MOLB

ATOM 3956 CB THR 277 28.922 -7.831 -18.703 1.00 19.92 MOLB

ATOM 3957 OGl THR 277 29.408 -9.013 -18.067 1.00 20.81 MOLB

ATOM 3958 CG2 THR 277 27.863 -8.204 -19.735 1.00 16.66 MOLB

ATOM 3959 C THR 277 31.120 -6.815 -18.257 1.00 22.45 MOLB

ATOM 3960 O THR 277 32.078 -7.567 -18.111 1.00 25.53 MOLB

ATOM 3961 N GLY 278 30.936 -5.760 -17.474 1.00 21.60 MOLB

ATOM 3962 CA GLY 278 31.894 -5.483 -16.417 1.00 22.45 MOLB

ATOM 3963 C GLY 278 31.244 -5.419 -15.054 1.00 26.25 MOLB

ATOM 3964 O GLY 278 30.087 -5.023 -14.942 1.00 29.44 MOLB

ATOM 3965 N MΞT 279 31.968 -5.826 -14.017 1.00 25.84 MOLB

ATOM 3966 CA MΞT 279 31.449 -5.785 -12.655 1.00 27.77 MOLB

ATOM 3967 CB MΞT 279 30.997 -7.180 -12.202 1.00 29.49 MOLB

ATOM 3968 CG MΞT 279 29.709 -7.647 -12.835 1.00 31.19 MOLB

ATOM 3969 SD MΞT 279 29.178 -9.170 -12.091 1.00 39.68 MOLB

ATOM 3970 CΞ MΞT 279 29.389 -10.299 -13.443 1.00 37.77 MOLB

ATOM 3971 C MΞT 279 32.518 -5.247 -11.710 1.00 29.36 MOLB

ATOM 3972 O MΞT 279 33.701 -5.517 -11.888 1.00 27.94 MOLB

ATOM 3973 N ALA 280 32.102 -4.469 -10.713 1.00 34.07 MOLB

ATOM 3974 CA ALA 280 33.037 -3.878 -9.743 1.00 38.01 MOLB

ATOM 3975 CB ALA 280 33.081 -2.350 -9.909 1.00 37.81 MOLB

ATOM 3976 C ALA 280 32_*683 -4.237 -8.298 1.00 41.92 MOLB

ATOM 3977 O ALA 280 33.214 -5.216 -7.755 1.00 45.11 MOLB

ATOM 3978 N GLY 281 31.788 -3.457 -7.684 1.00 43.57 MOLB

ATOM 3979 CA GLY 281 31.378 -3.701 -6.306 1.00 42.07 MOLB

ATOM 3980 C GLY 281 31.341 -5.167 -5.912 1.00 43.38 MOLB

ATOM 3981 O GLY 281 31.981 -5.593 -4.944 1.00 43.56 MOLB

ATOM 3982 N HIS 282 30.598 -5.954 -6.669 1.00 42.30 MOLB

ATOM 3983 CA HIS 282 30.493 -7.366 -6.382 1.00 44.31 MOLB

ATOM 3984 CB HIS 282 29.838 -8.072 -7.567 1.00 47.68 MOLB

ATOM 3985 CG HIS 282 29.588 -9.519 -7.326 1.00 50.50 MOLB

ATOM 3986 CD2 HIS 282 30.114 -10.622 -7.905 1.00 53.41 MOLB

ATOM 3987 NDl HIS 282 28.760 -9.969 -6.325 1.00 52.55 MOLB

ATOM 3988 CB1 HIS 282 28.790 -11.289 -6.294 1.00 53.97 MOLB

ATOM 3989 NΞ2 HIS 282 29.604 -11.710 -7.243 1.00 53.75 MOLB

ATOM 3990 C HIS 282 31.842 -8.020 -6.073 1.00 45.38 MOLB

ATOM 3991 O HIS 282 31.981 -8.737 -5.084 1.00 46.72 MOLB

ATOM 3992 N PHΞ 283 32.839 -7.768 -6.913 1.00 45.69 MOLB

ATOM 3993 CA PHΞ 283 34.166 -8.358 -6.735 1.00 44.79 MOLB

ATOM 3994 CB PHΞ 283 34.938 -8.321 -8.061 1.00 42.18 MOLB

ATOM 3995 CG PHΞ 283 34.326 -9.150 -9.151 1.00 41.19 MOLB

ATOM 3996 CDl PHΞ 283 34.056 -10.497 -8.951 1.00 40.80 MOLB

ATOM 3997 CD2 PHΞ 283 34.062 -8.595 -10.400 1.00 40.00 MOLB ATOM 3998 CB1 PHE 283 33.538 -11.289 -9.977 1.00 39.89 MOLB

ATOM 3999 CΞ2 PHE 283 33.543 -9.377 -11.432 1.00 38.17 MOLB

ATOM 4000 CZ PHΞ 283 33.283 -10.726 -11.220 1.00 40.52 MOLB

ATOM 4001 C PHΞ 283 35.005 -7.683 -5.653 1.00 45.44 MOLB

ATOM 4002 O PHΞ 283 35.779 -8.334 -4.944 1.00 43.96 MOLB

ATOM 4003 N LΞU 284 34.852 -6.371 -5.545 1.00 45.99 MOLB

ATOM 4004 CA LΞU 284 35.601 -5.578 -4.582 1.00 48.18 MOLB

ATOM 4005 CB LΞU 284 35.164 -4.111 -4.663 1.00 50.13 MOLB

ATOM 4006 CG LΞU 284 35.770 -3.158 -3.621 1.00 51.75 MOLB

ATOM 4007 CDl LΞU 284 37.279 -3.080 -3.824 1.00 52.73 MOLB

ATOM 4008 CD2 LΞU 284 35.137 -1.762 -3.748 1.00 52.39 MOLB

ATOM 4009 C LΞU 284 35.388 -6.072 -3.173 1.00 50.38 MOLB

ATOM 4010 O LΞU 284 36.341 -6.245 -2.407 1.00 51.25 MOLB

ATOM 4011 N LYS 285 34.122 -6.298 -2.845 1.00 51.31 MOLB

ATOM 4012 CA LYS 285 33.748 -6.744 -1.519 1.00 51.96 MOLB

ATOM 4013 CB LYS 285 32.249 -6.548 -1.311 1.00 53.72 MOLB

ATOM 4014 CG LYS 285 31.904 -5.094 -0.936 1.00 58.90 MOLB

ATOM 4015 CD LYS 285 32.290 -4.113 -2.049 1.00 59.08 MOLB

ATOM 4016 CB LYS 285 32.309 -2.661 -1.569 1.00 59.89 MOLB

ATOM 4017 NZ LYS 285 31.012 -2.178 -0.997 1.00 64.89 MOLB

ATOM 4018 C LYS 285 34.155 -8.170 -1.230 1.00 49.97 MOLB

ATOM 4019 O LYS 285 34.607 -8.487 -0.134 1.00 51.83 MOLB

ATOM 4020 N ALA 286 34.007 -9.035 -2.215 1.00 49.12 MOLB

ATOM 4021 CA ALA 286 34.399 -10.420 -2.031 1.00 48.12 MOLB

ATOM 4022 CB ALA 286 34.103 -11.205 -3.292 1.00 48.90 MOLB

ATOM 4023 C ALA 286 35.894 -10.456 -1.718 1.00 48.27 MOLB

ATOM 4024 O ALA 286 36.373 -11.328 -0.988 1.00 47.89 MOLB

ATOM 4025 N LΞU 287 36.622 -9.488 -2.270 1.00 48.12 MOLB

ATOM 4026 CA LEU 287 38.059 -9.388 -2.047 1.00 47.18 MOLB

ATOM 4027 CB LEU 287 38.645 -8.298 -2.945 1.00 41.54 MOLB

ATOM 4028 CG LΞU 287 40.121 -7.944 -2.773 1.00 36.38 MOLB

ATOM 4029 CDl LΞU 287 40.973 -9.158 -3.018 1.00 32.12 MOLB

ATOM 4030 CD2 LΞU 287 40.487 -6.825 -3.725 1.00 34.31 MOLB

ATOM 4031 C LEU 287 38.317 -9.065 -0.572 1.00 50.21 MOLB

ATOM 4032 O LEU 287 38.970 -9.841 0.141 1.00 49.05 MOLB

ATOM 4033 N THR 288 37.781 -7.935 -0.112 1.00 52.20 MOLB

ATOM 4034 CA THR 288 37.958 -7.527 1.282 1.00 54.92 MOLB

ATOM 4035 CB THR 288 37.323 -6.126 1.566 1.00 54.56. MOLB

ATOM 4036 OGl THR 288 35.901 -6.215 1.449 1.00 55.51 MOLB

ATOM 4037 CG2 THR 288 37.855 -5.072 0.586 1.00 53.20 MOLB

ATOM 4038 C THR 288 37.373 -8.543 2.287 1.00 56.55 MOLB

ATOM 4039 O THR 288 37.618 -8.433 3.486 1.00 58.94 MOLB

ATOM 4040 N ASP 289 36.607 -9.527 1.814 1.00 56.41 MOLB

ATOM 4041 CA ASP 289 36.043 -10.525 2.727 1.00 54.28 MOLB

ATOM 4042 CB ASP 289 34.608 -10.907 2.339 1.00 51.20 MOLB

ATOM 4043 CG ASP 289 33.591 -9.828 2.677 1.00 51.93 MOLB

ATOM 4044 OD1 ASP 289 33.772 -9.125 3.699 1.00 53.29 MOLB

ATOM 4045 OD2 ASP 289 32.598 -9.697 1.927 1.00 50.77 MOLB

ATOM 4046 C ASP 289 36.869 -11.798 2.783 1.00 53.99 MOLB

ATOM 4047 O ASP 289 37.110 -12.344 3.864 1.00 54.04 MOLB

ATOM 4048 N SΞR 290 37.320 -12.257 1.621 1.00 53.46 MOLB

ATOM 4049 CA SΞR 290 38.078 -13.500 1.555 1.00 54.34 MOLB

ATOM 4050 CB SΞR 290 37.191 -14.567 0.935 1.00 54.34 MOLB

ATOM 4051 OG SΞR 290 35.849 -14.271 1.261 1.00 56.45 MOLB

ATOM 4052 C SER 290 39.379 -13.416 0.787 1.00 53.46 MOLB ATOM 4053 O SΞR 290 39.,968 -14..439 0.425 1.00 53.,86 MOLB

ATOM 4054 N GLY 291 39. ,824 -12. .195 0.535 1.00 52. ,87 MOLB

ATOM 4055 CA GLY 291 41. ,064 -12. .003 -0.191 1.00 51. ,83 MOLB

ATOM 4056 C GLY 291 41. .039 -12. .601 -1.581 1.00 49. ,13 MOLB

ATOM 4057 O GLY 291 39. ,978 -12. .899 -2.123 1.00 48. ,12 MOLB

ATOM 4058 N GLU 292 42. ,224 -12. .766 -2.154 1.00 48. ,72 MOLB

ATOM 4059 CA GLU 292 42. ,367 -13. .332 -3.484 1.00 47. ,05 MOLB

ATOM 4060 CB GLU 292 43. ,848 -13. .572 -3.786 1.00 44. ,90 MOLB

ATOM 4061 CG GLU 292 44. ,641 -12. .304 -4.004 1.00 43. ,59 MOLB

ATOM 4062 CD GLU 292 46. ,131 -12. .551 -4.044 1.00 45. ,50 MOLB

ATOM 4063 OΞl GLU 292 46. ,539 -13. .725 -4.188 1.00 48. ,38 MOLB

ATOM 4064 OΞ2 GLU 292 46. ,892 -11. .566 -3.933 1.00 46. ,83 MOLB

ATOM 4065 C GLU 292 41. ,600 -14. .637 -3.619 1.00 46. .83 MOLB

ATOM 4066 O GLU 292 40. ,810 -14. .801 -4.551 1.00 46. .28 MOLB

ATOM 4067 N GLU 293 41. .841 -15. .555 -2.681 1.00 46. .79 MOLB

ATOM 4068 CA GLU 293 41. .195 -16. .870 -2.671 1.00 45. .14 MOLB

ATOM 4069 CB GLU 293 41. ,502 -17. .611 -1.363 1.00 49. .11 MOLB

ATOM 4070 CG GLU 293 42. ,994 -17. .710 -0.985 1.00 59. ,30 MOLB

ATOM 4071 CD GLU 293 43. .480 -16. .556 -0.089 1.00 65. ,17 MOLB

ATOM 4072 OΞl GLU 293 44. .705 -16. .482 0.186 1.00 68. ,49 MOLB

ATOM 4073 OΞ2 GLU 293 42. .639 -15, .731 0.345 1.00 67. .48 MOLB

ATOM 4074 C GLU 293 39. .683 -16. .738 -2.843 1.00 41, .73 MOLB

ATOM 4075 O GLU 293 39. .071 -17, .420 -3.664 1.00 40. .70 MOLB

ATOM 4076 N GLY 294 39. .079 -15, .854 -2.062 1.00 40. .14 MOLB

ATOM 4077 CA GLY 294 37. .649 -15, .653 -2.154 1.00 38. .61 MOLB

ATOM 4078 C GLY 294 37. .234 -15, .091 -3.501 1.00 40, .12 MOLB

ATOM 4079 O GLY 294 36. ,403 -15, .681 -4.190 1.00 43, .05 MOLB

ATOM 4080 N LΞU 295 37. ,820 -13, .954 -3.879 1.00 38, .95 MOLB

ATOM 4081 CA LΞU 295 37. ,525 -13. .291 -5.149 1.00 35, .41 MOLB

ATOM 4082 CB LEU 295 38. .529 -12, .160 -5.416 1.00 29, .91 MOLB

ATOM 4083 CG LEU 295 38, .325 -11, .383 -6.719 1.00 25, .18 MOLB

ATOM 4084 CDl LΞU 295 36, .961 -10, .693 -6.697 1.00 26, .15 MOLB

ATOM 4085 CD2 LΞU 295 39, .418 -10, .369 -6.892 1.00 22, .61 MOLB

ATOM 4086 C LEU 2 37, .549 -14, .268 - 6 • 315 1.00 36, • 26 MOLB

ATOM 4087 O LEU 295 36, .601 -14, .332 -7.101 1.00 36, .65 MOLB

ATOM 4088 N LEU 296 38, .638 -15 .023 -6.428 1.00 36, .62 MOLB

ATOM 4089 CA LΞU 296 38, .787 -16, .012 -7.480 1.00 38. .57 MOLB

ATOM 4090 CB LΞU 296 40. .025 -16, .865 -7.230 1.00 38. .93 MOLB

ATOM 4091 CG LΞU 296 40. .849 -17, .318 -8.436 1.00 41, .22 MOLB

ATOM 4092 CDl LΞU 296 41, .696 -18 .493 -8.003 1.00 39, .68 MOLB

ATOM 4093 CD2 LΞU 296 39, .957 -17 .711 -9.612 1.00 40, .39 MOLB

ATOM 4094 C LEU 296 37, .563 -16 .926 -7.511 1.00 42, .10 MOLB

ATOM 4095 O LEU 296 37, .018 -17 .199 -8.580 1.00 43, .38 MOLB

ATOM 4096 N GLU 297 37, .139 -17 .405 -6.337 1.00 43, .30 MOLB

ATOM 4097 CA GLU 297 35 .966 -18 .283 -6.252 1.00 44, .27 MOLB

ATOM 4098 CB GLU 297 35 .677 -18 .695 -4.811 1.00 48 .24 MOLB

ATOM 4099 CG GLU 297 36, .679 -19 .684 -4.230 1.00 58, .21 MOLB

ATOM 4100 CD GLU 297 36, .205 -20 .358 -2.934 1.00 62, .41 MOLB

ATOM 4101 OBI GLU 297 37, .034 -21 .054 -2.299 1.00 60 .95 MOLB

ATOM 4102 OΞ2 GLU 297 35 .010 -20 .192 -2.557 1.00 64 .23 MOLB

ATOM 4103 C GLU 297 34 .735 -17 .606 -6.826 1.00 41 .81 MOLB

ATOM 4104 O GLU 297 34 .059 -18 .144 -7.692 1.00 40 .50 MOLB

ATOM 4105 N GLU 298 34 .454 -16 .412 -6.335 1.00 40 .56 MOLB

ATOM 4106 CA GLU 298 33 .301 -15 .670 -6.795 1.00 40 .11 MOLB

ATOM 4107 CB GLU 298 33 .260 -14 .316 -6.089 1.00 41 .64 MOLB ATOM 4108 CG GLU 298 32.,042 -13.,503 -6..436 1.00 48,.18 MOLB

ATOM 4109 CD GLU 298 30. ,768 -14. .312 -6. .331 1.00 50, .56 MOLB

ATOM 4110 OBI GLU 298 30. ,522 -14. .896 -5. .254 1.00 52, .10 MOLB

ATOM 4111 OΞ2 GLU 298 30. ,019 -14. .362 -7. .332 1.00 51, .88 MOLB

ATOM 4112 C GLU 298 33. .291 -15. .492 -8. .320 1.00 38, .84 MOLB

ATOM 4113 O GLU 298 32. ,230 -15. .523 -8. .948 1.00 38, .38 MOLB

ATOM 4114 N ILΞ 299 34. ,470 -15. .312 -8. .915 1.00 34. .62 MOLB

ATOM 4115 CA ILΞ 299 34. .573 -15. .117 -10. .357 1.00 30. ,04 MOLB

ATOM 4116 CB ILΞ 299 36. .018 -14. .753 -10. .755 1.00 26. ,24 MOLB

ATOM 4117 CG2 ILΞ 299 36. ,170 -14. .675 -12. .267 1.00 22, .75 MOLB

ATOM 4118 CGI ILΞ 299 36. .382 -13. .394 -10. .170 1.00 25, .34 MOLB

ATOM 4119 CDl ILΞ 299 37. ,797 -12. .989 -10. .461 1.00 27. .76 MOLB

ATOM 4120 C ILΞ 299 34. ,142 -16. .387 -11. .088 1.00 31. ,18 MOLB

ATOM 4121 O ILΞ 299 33. .277 -16. .363 -11, .959 1.00 29. ,86 MOLB

ATOM 4122 N GLN 300 34. .771 -17. .494 -10, .709 1.00 34. ,05 MOLB

ATOM 4123 CA GLN 300 34. .509 -18, .819 -11. .268 1.00 33. .42 MOLB

ATOM 4124 CB GLN 300 35, .396 -19, .843 -10, .575 1.00 34, .38 MOLB

ATOM 4125 CG GLN 300 36. .787 -19, .893 -11, .120 1.00 42. .31 MOLB

ATOM 4126 CD GLN 300 37. .815 -20, .329 -10. .096 1.00 49. .13 MOLB

ATOM 4127 OΞl GLN 300 38, .874 -20. .866 -10. .456 1.00 54. .89 MOLB

ATOM 4128 NΞ2 GLN 300 37, .527 -20, .086 -8. .817 1.00 51, .12 MOLB

ATOM 4129 C GLN 300 33, .063 -19, .217 -11, .094 1.00 31, .97 MOLB

ATOM 4130 O GLN 300 32, .467 -19, .853 -11, .969 1.00 32, .05 MOLB

ATOM 4131 N LΞU 301 32, .509 -18, .844 -9, .948 1.00 31, .36 MOLB

ATOM 4132 CA LΞU 301 31. .135 -19, .162 -9, .619 1.00 31, .57 MOLB

ATOM 4133 CB LΞU 301 30, .807 -18, .712 -8, .199 1.00 33, .34 MOLB

ATOM 4134 CG LΞU 301 29, .386 -19, .058 -7, .756 1.00 38, .01 MOLB

ATOM 4135 CDl LΞU 301 29, .286 -20, .567 -7, .545 1.00 34, .98 MOLB

ATOM 4136 CD2 LΞU 301 29, .031 -18, .284 -6, .479 1.00 39, .62 MOLB

ATOM 4137 C LEU 301 30, .184 -18, .490 -10, .589 1.00 30. .54 MOLB

ATOM 4138 O LEU 301 29, .275 -19, .123 -11, .114 1.00 32, .79 MOLB

ATOM 4139 N ILΞ 302 30, .392 -17, .208 -10, .846 1.00 29, .77 MOLB

ATOM 4140 CA ILΞ 302 29, .511 -16 .512 -11, .753 1.00 28. .10 MOLB

ATOM 4141 CB ILΞ 302 29, .613 -15 .002 -11, ,586 1.00 28, .25 MOLB

ATOM 4142 CG2 ILΞ 302 31, .027 -14, .555 -11, .783 1.00 31, .52 MOLB

ATOM 4143 CGI ILΞ 302 28, .703 -14, .318 -12, .595 1.00 26, .32 MOLB

ATOM 4144 CDl ILΞ 302 28, .205 -12 .996 -12, .116 1.00 33. .93 MOLB

ATOM 4145 C ILΞ 302 29, .758 -16 .887 -13, .204 1.00 28, .17 MOLB

ATOM 4146 O ILΞ 302 28 .838 -16 .821 -14, .019 1.00 30, .69 MOLB

ATOM 4147 N LΞU 303 30, .982 -17, .278 -13, .554 1.00 27, .04 MOLB

ATOM 4148 CA LΞU 303 31, .245 -17 .682 -14, .932 1.00 25, .70 MOLB

ATOM 4149 CB LΞU 303 32, .735 -17 .824 -15 .226 1.00 18, .70 MOLB

ATOM .4150 CG LΞU 303 33 .513 -16 .521 -15 .313 1.00 20, .43 MOLB

ATOM 4151 CDl LΞU 303 34 .943 -16 .806 -15 .743 1.00 13, .11 MOLB

ATOM 4152 CD2 LΞU 303 32 .829 -15 .589 -16 .301 1.00 18 .72 MOLB

ATOM 4153 C LΞU 303 30, .583 -19 .022 -15, .145 1.00 27, .50 MOLB

ATOM 4154 O LΞU 303 30 .126 -19 .336 -16 .236 1.00 27, .17 MOLB

ATOM 4155 N GLU 304 30 .518 -19 .834 -14 .108 1.00 29, .47 MOLB

ATOM 4156 CA GLU 304 29 .883 -21 .119 -14 .308 1.00 34, .29 MOLB

ATOM 4157 CB GLU 304 30 .331 -22 .121 -13 .248 1.00 38 .37 MOLB

ATOM 4158 CG GLU 304 31 .740 -22 .648 -13 .524 1.00 44 .83 MOLB

ATOM 4159 CD GLU 304 31 .810 -23 .547 -14 .769 1.00 49, .36 MOLB

ATOM 4160 OBI GLU 304 32 .746 -23 .360 -15 .586 1.00 48, .72 MOLB

ATOM 4161 OΞ2 GLU 304 30 .924 -24 .432 -14 .924 1.00 51, .28 MOLB

ATOM 4162 C GLU 304 28 .382 -20 .980 -14 .324 1.00 34, .17 MOLB ATOM 4163 O GLU 304 27.,703 -21..716 -15.,046 1.,00 35..96 MOLB

ATOM 4164 N GLU 305 27. ,866 -20. .023 -13. ,550 1. ,00 35. .66 MOLB

ATOM 4165 CA GLU 305 26. ,422 -19. .763 -13. .487 1. 00 35. ,80 MOLB

ATOM 4166 CB GLU 305 26. ,089 -18. 850 -12. ,316 1. 00 37. ,97 MOLB

ATOM 4167 CG GLU 305 26. ,195 -19. ,524 -10. ,952 1. ,00 45. ,27 MOLB

ATOM 4168 CD GLU 305 25. ,931 -18. ,565 -9. ,791 1. ,00 50. .53 MOLB

ATOM 4169 OΞl GLU 305 25. ,898 -19. .043 -8. ,635 1. 00 53. .20 MOLB

ATOM 4170 OΞ2 GLU 305 25. .766 -17. .338 -10. ,034 1. ,00 54. .85 MOLB

ATOM 4171 C GLU 305 25. .876 -19. .182 -14. ,787 1. ,00 32. .32 MOLB

ATOM 4172 O GLU 305 24. .686 -19. .288 -15. .076 1. 00 32. .52 MOLB

ATOM 4173 N LΞU 306 26. ,756 -18. .562 -15. .565 1. ,00 29. .53 MOLB

ATOM 4174 CA LΞU 306 26. .378 -18. .002 -16. .862 1. ,00 28. ,78 MOLB

ATOM 4175 CB LΞU 306 27. .438 -17. .008 -17. .352 1. 00 25. .67 MOLB

ATOM 4176 CG LΞU 306 27. .308 -16. .710 -18. .856 1. ,00 24. .04 MOLB

ATOM 4177 CDl LΞU 306 25. .946 -16. .096 -19. .139 1. 00 16. .15 MOLB

ATOM 4178 CD2 LΞU 306 28. .453 -15. .805 -19. ,326 1. ,00 20. .99 MOLB

ATOM 4179 C LΞU 306 26. .234 -19, .155 -17. .865 1. ,00 27. .52 MOLB

ATOM 4180 O LΞU 306 25. .279 -19. .182 -18. .649 1. ,00 26. ,25 MOLB

ATOM 4181 N LYS 307 27, .190 -20, .092 -17. .809 1. ,00 28. .32 MOLB

ATOM 4182 CA LYS 307 27, .231 -21, .295 -18. .654 1. ,00 31. .22 MOLB

ATOM 4183 CB LYS 307 28, .436 -22, .176 -18. .276 1. ,00 30. .89 MOLB

ATOM 4184 CG LYS 307 29, .795 -21, .527 -18. .452 1. ,00 32. .29 MOLB

ATOM 4185 CD LYS 307 30, .919 -22, .449 -18. .003 1. ,00 29. .68 MOLB

ATOM 4186 CB LYS 307 32, .244 -22, .034 -18, .610 1. ,00 29. .19 MOLB

ATOM 4187 NZ LYS 307 33, .305 -22, .990 -18, .200 1. ,00 30, .31 MOLB

ATOM 4188 C LYS 307 25, .945 -22, .102 -18, .434 1. .00 32, .21 MOLB

ATOM 4189 O LYS 307 25 .391 -22, .716 -19, .357 1. .00 30, .16 MOLB

ATOM 4190 N LΞU 308 25, .498 -22, .106 -17, .187 1. ,00 29, .71 MOLB

ATOM 4191 CA LΞU 308 24, .290 -22, .802 -16, .822 1. ,00 30, .02 MOLB

ATOM 4192 CB LΞU 308 24, .076 -22, .669 -15. .321 1. ,00 34, .51 MOLB

ATOM 4193 CG LΞU 308 23, .330 -23 .794 -14, .631 1. ,00 37, .10 MOLB

ATOM 4194 CDl LΞU 308 24, .245 -25, .021 -14, .588 1. ,00 38, .93 MOLB

ATOM 4195 CD2 LΞU 308 22 .946 -23 .350 -13, .223 1. .00 37, .53 MOLB

ATOM 4196 C LΞU JUO 23 .107 -22 .157 -17, .555 1. , 00 29, .11 MOLB

ATOM 4197 0 LΞU 308 22 .298 -22 .843 -18, .165 1. .00 28, .93 MOLB

ATOM 4198 N ILΞ 309 23, .009 -20 .831 -17, .485 1. ,00 26. .95 MOLB

ATOM 4199 CA ILΞ 309 21, .913 -20 .140 -18, .145 1. ,00 23, .67 MOLB

ATOM 4200 CB ILΞ 309 21, .914 -18 .613 -17, .833 1. ,00 23, .05 MOLB

ATOM 4201 CG2 ILΞ 309 20 .830 -17 .928 -18, .645 1. .00 19, .66 MOLB

ATOM 4202 CGI ILΞ 309 21 .662 -18 .379 -16, .327 1. .00 19, .24 MOLB

ATOM 4203 CDl ILΞ 309 21 .820 -16 .915 -15, .865 1. .00 15, .70 MOLB

ATOM 4204 C ILΞ 309 21 .954 -20 .373 -19 .655 1. .00 21, .90 MOLB

ATOM 4205 O ILΞ 309 20 .922 -20 .631 -20 .274 1. .00 22 .71 MOLB

ATOM 4206 N MΞT 310 23 .146 -20 .306 -20, .240 1. ,00 18, .97 MOLB

ATOM 4207 CA MΞT 310 23 .307 -20 .542 -21, .670 1, .00 18, .49 MOLB

ATOM 4208 CB MΞT 310 24 .751 -20 .266 -22 .071 1. .00 14, .70 MOLB

ATOM 4209 CG MΞT 310 25 .100 -18 .810 -21 .943 1, .00 17, .43 MOLB

ATOM 4210 SD MΞT 310 26 .840 -18 .401 -22 .222 1. .00 24 .27 MOLB

ATOM 4211 CE MΞT 310 26 .916 -18 .257 -24 .031 1. .00 15 .35 MOLB

ATOM 4212 C MΞT 310 22 .884 -21 .975 -22 .043 1. .00 20 .25 MOLB

ATOM 4213 O MΞT 310 22 .308 -22 .215 -23 .103 1. .00 17 .51 MOLB

ATOM 4214 N THR 311 23 .156 -22 .915 -21 .149 1, .00 22, .19 MOLB

ATOM 4215 CA THR 311 22 .793 -24 .313 -21 .354 1, .00 23, .90 MOLB

ATOM 4216 CB THR 311 23 .337 -25 .208 -20 .188 1, .00 27 .51 MOLB

ATOM 4217 OGl THR 311 24 .774 -25 .226 -20 .239 1, .00 28 .41 MOLB ATOM 4218 CG2 THR 311 22.,796 -26..640 -20.,280 1.00 24.,82 MOLB

ATOM 4219 C THR 311 21. ,270 -24. .459 -21. .411 1.00 23. .54 MOLB

ATOM 4220 O THR 311 20. ,739 -25. ,144 -22. .286 1.00 24. ,50 MOLB

ATOM 4221 N VAL 312 20. ,580 -23. .817 -20. .470 1.00 21. .14 MOLB

ATOM 4222 CA VAL 312 19. .134 -23. .857 -20. .409 1.00 18. .67 MOLB

ATOM 4223 CB VAL 312 18. .664 -23. .207 -19, .107 1.00 17. .22 MOLB

ATOM 4224 CGI VAL 312 17. .145 -23. .115 -19, .064 1.00 21, .48 MOLB

ATOM 4225 CG2 VAL 312 19. .156 -24. .029 -17, .954 1.00 14. .67 MOLB

ATOM 4226 C VAL 312 18. .505 -23. .155 -21, .623 1.00 19. .51 MOLB

ATOM 4227 O VAL 312 17. .364 -23. .456 -22. .006 1.00 20. .39 MOLB

ATOM 4228 N LBU 313 19. .259 -22. .235 -22. .232 1.00 16, .80 MOLB

ATOM 4229 CA LΞU 313 18. .798 -21. .480 -23. .398 1.00 15. .74 MOLB

ATOM 4230 CB LΞU 313 19. .357 -20. .049 -23. .357 1.00 14, .09 MOLB

ATOM 4231 CG LΞU 313 18. .962 -19. .056 -22. .257 1.00 15, .71 MOLB

ATOM 4232 CDl LΞU 313 19, .719 -17. .736 -22, .492 1.00 12, .89 MOLB

ATOM 4233 CD2 LΞU 313 17, .461 -18. .825 -22. .245 1.00 12, .02 MOLB

ATOM 4234 C LΞU 313 19. .187 -22. .106 -24. .737 1.00 15, .14 MOLB

ATOM 4235 O LΞU 313 18. .755 -21. .637 -25. .792 1.00 13, .03 MOLB

ATOM 4236 N GLY 314 19, .999 -23. .153 -24. .702 1.00 15, .79 MOLB

ATOM 4237 CA GLY 314 20. .432 -23. .783 -25. .932 1.00 19, .75 MOLB

ATOM 4238 C GLY 314 21. .520 -22. .967 -26, .632 1.00 23. .11 MOLB

ATOM 4239 O GLY 314 21. .886 -23. .252 -27, .778 1.00 25, .16 MOLB

ATOM 4240 N ALA 315 22. .046 -21. .952 -25. .946 1.00 23, .75 MOLB

ATOM 4241 CA ALA 315 23, .081 -21. .098 -26, .521 1.00 24, .25 MOLB

ATOM 4242 CB ALA 315 23, .041 -19. .736 -25, .878 1.00 23, .37 MOLB

ATOM 4243 C ALA 315 24, .462 -21, .706 -26. .350 1.00 27, .25 MOLB

ATOM 4244 O ALA 315 25, .028 -21, .703 -25, .262 1.00 26, .46 MOLB

ATOM 4245 N ARG 316 25, .017 -22, .212 -27, .441 1.00 31, .76 MOLB

ATOM 4246 CA ARG 316 26, .330 -22, .841 -27, .384 1.00 33 .91 MOLB

ATOM 4247 CB ARG 316 26. .551 -23, .693 -28, .633 1.00 36, .59 MOLB

ATOM 4248 CG ARG 316 27, .430 -24, .914 -28, .414 1.00 41, .62 MOLB

ATOM 4249 CD ARG 316 27, .865 -25, .516 -29, .741 1.00 47, .49 MOLB

ATOM 4250 NΞ ARG 316 28, .869 -24, .655 -30, .357 1.00 49, .03 MOLB

ATOM 4251 CZ ARG 316 30, .103 -24, .517 -29, , OoO 1.00 50, .99 MOLB

ATOM 4252 NHl ARG 316 30, .470 -25, .202 -28, .803 1.00 49, .48 MOLB

ATOM 4253 NH2 ARG 316 30, .954 -23, .671 -30, .468 1.00 48, .49 MOLB

ATOM 4254 C ARG 316 27, .494 -21, .868 -27, .226 1.00 34, .81 MOLB

ATOM 4255 O ARG 316 28 .514 -22, .205 -26 .618 1.00 39 .48 MOLB

ATOM 4256 N THR 317 27, .344 -20, .660 -27, .755 1.00 28, .86 MOLB

ATOM 4257 CA THR 317 28 .418 -19, .690 -27, .705 1.00 22, .85 MOLB

ATOM 4258 CB THR 317 29 .140 -19, .659 -29 .064 1.00 22 .91 MOLB

ATOM 4259 OGl THR 317 28 .200 -19, .310 -30 .085 1.00 23 .45 MOLB

ATOM 4260 CG2 THR 317 29, .724 -21, .020 -29, .377 1.00 18, .07 MOLB

ATOM 4261 C THR 317 27 .873 -18, .302 -27 .392 1.00 24, .00 MOLB

ATOM 4262 O THR 317 26 .663 -18 .107 -27 .353 1.00 24 .99 MOLB

ATOM 4263 N ILΞ 318 28 .767 -17 .340 -27 .163 1.00 21 .88 MOLB

ATOM 4264 CA ILΞ 318 28, .367 -15, .968 -26 .888 1.00 18, .29 MOLB

ATOM 4265 CB ILΞ 318 29 .591 -15, .070 -26 .588 1.00 17, .66 MOLB

ATOM 4266 CG2 ILΞ 318 29 .208 -13 .599 -26 .695 1.00 15 .36 MOLB

ATOM 4267 CGI ILΞ 318 30 .187 -15 .421 -25 .218 1.00 17 .53 MOLB

ATOM 4268 CDl ILΞ 318 29 .221 -15 .263 -24 .035 1.00 13 .87 MOLB

ATOM 4269 C ILΞ 318 27 .629 -15 .404 -28 .106 1.00 20 .08 MOLB

ATOM 4270 O ILΞ 318 26 .650 -14 .682 -27 .960 1.00 22 .81 MOLB

ATOM 4271 N ALA 319 28 .083 -15 .731 -29 .312 1.00 19 .36 MOLB

ATOM 4272 CA ALA 319 27 .421 -15 .224 -30 .506 1.00 19 .93 MOLB ATOM 4273 CB ALA 319 28.,177 -15.,619 -31..743 1.00 13..49 MOLB

ATOM 4274 C ALA 319 26. ,005 -15. ,769 -30. ,570 1.00 23, .76 MOLB

ATOM 4275 O ALA 319 25. ,116 -15. ,149 -31. .159 1.00 26. .21 MOLB

ATOM 4276 N ASP 320 25. ,794 -16. ,936 -29. ,976 1.00 23. ,37 MOLB

ATOM 4277 CA ASP 320 24. .467 -17. ,534 -29. ,977 1.00 23. ,92 MOLB

ATOM 4278 CB ASP 320 24. .520 -19. ,019 -29. ,641 1.00 22. .96 MOLB

ATOM 4279 CG ASP 320 24. .929 -19. ,874 -30. ,799 1.00 25, .12 MOLB

ATOM 4280 OD1 ASP 320 25. .035 -21. ,089 -30. ,556 1.00 28, .16 MOLB

ATOM 4281 OD2 ASP 320 25. .133 -19. ,363 -31. ,924 1.00 24. .52 MOLB

ATOM 4282 C ASP 320 23. .616 -16. ,883 -28. ,925 1.00 24. .32 MOLB

ATOM 4283 O ASP 320 22. .391 -16. ,819 -29. ,050 1.00 25. .79 MOLB

ATOM 4284 N LΞU 321 24. .260 -16. ,449 -27. ,851 1.00 24. .42 MOLB

ATOM 4285 CA LΞU 321 23. .518 -15. ,823 -26. ,774 1.00 23. .99 MOLB

ATOM 4286 CB LΞU 321 24. .393 -15. ,713 -25. .519 1.00 18, .61 MOLB

ATOM 4287 CG LΞU 321 23. .735 -15. ,150 -24. ,256 1.00 17, .55 MOLB

ATOM 4288 CDl LΞU 321 22. .455 -15. ,892 -23. ,943 1.00 15. .51 MOLB

ATOM 4289 CD2 LΞU 321 24, .713 -15. ,269 -23. .095 1.00 17. .98 MOLB

ATOM 4290 C LΞU 321 23, .057 -14. ,448 -27. .247 1.00 24, .40 MOLB

ATOM 4291 O LΞU 321 22, .087 -13. .887 -26. .733 1.00 21, .22 MOLB

ATOM 4292 N GLN 322 23, .748 -13. .921 -28, .254 1.00 23, .45 MOLB

ATOM 4293 CA GLN 322 23, .417 -12. .605 -28. .793 1.00 23. .79 MOLB

ATOM 4294 CB GLN 322 24, .635 -11. .990 -29, .503 1.00 24, .39 MOLB

ATOM 4295 CG GLN 322 25, .853 -11. .779 -28, .593 1.00 24. ,75 MOLB

ATOM 4296 CD GLN 322 27, .034 -11. .129 -29, .298 1.00 26. .49 MOLB

ATOM 4297 OΞl GLN 322 27, .442 -11. .570 -30, .362 1.00 33. .95 MOLB

ATOM 4298 NΞ2 GLN 322 27, .593 -10. .087 -28, .700 1.00 21. .63 MOLB

ATOM 4299 C GLN 322 22. .231 -12. .651 -29, .753 1.00 22. .01 MOLB

ATOM 4300 O GLN 322 21, .762 -11. .615 -30, .208 1.00 20, .14 MOLB

ATOM 4301 N LYS 323 21, .745 -13. .852 -30, .055 1.00 22, .99 MOLB

ATOM 4302 CA LYS 323 20, .606 -14, .017 -30, .968 1.00 22, .59 MOLB

ATOM 4303 CB LYS 323 21, .044 -14, .804 -32, .212 1.00 20, .69 MOLB

ATOM 4304 CG LYS 323 22, .045 -14, .053 -33, .077 1.00 29, .08 MOLB

ATOM 4305 CD LYS 323 22, .783 -14, .997 -34, .018 1.00 31, .25 MOLB

ATOM 4306 CΞ LYS 323 24, .081 -14, .394 -34, .519 1.00 33, .49 MOLB

ATOM 4307 NZ LYS 323 24, .918 -15, .432 -35, .174 1.00 31, .82 MOLB

ATOM 4308 C LYS 323 19, .484 -14, .754 -30, .255 1.00 21, .56 MOLB

ATOM 4309 O LYS 323 18, .541 -15, .243 -30, .889 1.00 23, .12 MOLB

ATOM 4310 N ALA 324 19 .587 -14, .837 -28, .931 1.00 17, .13 MOLB

ATOM 4311 CA ALA 324 18 .576 -15, .553 -28 .153 1.00 16, .55 MOLB

ATOM 4312 CB ALA 324 19 .054 -15, .776 -26 .736 1.00 12, .21 MOLB

ATOM 4313 C ALA 324 17 .235 -14, .858 -28 .134 1.00 15, .79 MOLB

ATOM 4314 O ALA 324 17, .118 -13, .699 -27, .736 1.00 18, .62 MOLB

ATOM 4315 N PRO 325 16, .187 -15, .561 -28, .557 1.00 15, .61 MOLB

ATOM 4316 CD PRO 325 16 .123 -16, .819 -29, .304 1.00 9, .67 MOLB

ATOM 4317 CA PRO 325 14 .885 -14, .907 -28 .548 1.00 18, .68 MOLB

ATOM 4318 CB PRO 325 13 .964 -15, .983 -29 .115 1.00 17, .09 MOLB

ATOM 4319 CG PRO 325 14 .869 -16, .624 -30 .138 1.00 12, .79 MOLB

ATOM 4320 C PRO 325 14 .481 -14, .409 -27 .161 1.00 18, .62 MOLB

ATOM 4321 O PRO 325 14 .593 -15, .128 -26 .166 1.00 19, .23 MOLB

ATOM 4322 N LΞU 326 14 .021 -13, .167 -27 .105 1.00 16 .39 MOLB

ATOM 4323 CA LΞU 326 13 .604 -12, .604 -25 .848 1.00 16 .33 MOLB

ATOM 4324 CB LΞU 326 14 .788 -11, .919 -25 .192 1.00 12 .64 MOLB

ATOM 4325 CG LΞU 326 15 .451 -10, .762 -25 .953 1.00 10 .92 MOLB

ATOM 4326 CDl LΞU 326 14 .716 -9 .424 -25 .722 1.00 6 .65 MOLB

ATOM 4327 CD2 LΞU 326 16 .901 -10, .672 -25 .476 1.00 4 .96 MOLB ATOM 4328 C LΞU 326 12.461 -11.623 -26.052 1.00 17.80 MOLB

ATOM 4329 O LΞU 326 12.154 -11.253 -27.186 1.00 19.22 MOLB

ATOM 4330 N VAL 327 11.809 -11.237 -24.957 1.00 16.57 MOLB

ATOM 4331 CA VAL 327 10.721 -10.278 -25.030 1.00 14.52 MOLB

ATOM 4332 CB VAL 327 9.352 -10.890 -24.620 1.00 12.84 MOLB

ATOM 4333 CGI VAL 327 8.269 -9.809 -24.678 1.00 4.37 MOLB

ATOM 4334 CG2 VAL 327 8.961 -12.039 -25.553 1.00 7.27 MOLB

ATOM 4335 C VAL 327 11.029 -9.105 -24.100 1.00 16.52 MOLB

ATOM 4336 O VAL 327 11.318 -9.314 -22.914 1.00 15.31 MOLB

ATOM 4337 N ILΞ 328 10.982 -7.885 -24.663 1.00 15.72 MOLB

ATOM 4338 CA ILΞ 328 11.215 -6.617 -23.947 1.00 12.06 MOLB

ATOM 4339 CB ILΞ 328 11.902 -5.537 -24.866 1.00 9.29 MOLB

ATOM 4340 CG2 ILΞ 328 12.120 -4.259 -24.100 1.00 4.97 MOLB

ATOM 4341 CGI ILΞ 328 13.250 -6.024 -25.384 1.00 10.24 MOLB

ATOM 4342 CDl ILΞ 328 13.680 -5.346 -26.694 1.00 10.16 MOLB

ATOM 4343 C ILΞ 328 9.834 -6.081 -23.551 1.00 16.26 MOLB

ATOM 4344 O ILΞ 328 8.912 -6.040 -24.370 1.00 15.25 MOLB

ATOM 4345 N LYS 329 9.691 -5.645 -22.309 1.00 17.57 MOLB

ATOM 4346 CA LYS 329 8.418 -5.120 -21.847 1.00 16.43 MOLB

ATOM 4347 CB LYS 329 7.744 -6.154 -20.944 1.00 16.68 MOLB

ATOM 4348 CG LYS 329 8.309 -6.172 -19.518 1.00 19.72 MOLB

ATOM 4349 CD LYS 329 7.742 -7.313 -18.699 1.00 26.52 MOLB

ATOM 4350 CB LYS 329 8.309 -7.363 -17.278 1.00 30.31 MOLB

ATOM 4351 NZ LYS 329 7.691 -8.490 -16.506 1.00 34.69 MOLB

ATOM 4352 C LYS 329 8.657 -3.863 -21.032 1.00 15.47 MOLB

ATOM 4353 O LYS 329 9.782 -3.417 -20.876 1.00 16.21 MOLB

ATOM 4354 N GLY 330 7.566 -3.315 -20.503 1.00 14.20 MOLB

ATOM 4355 CA GLY 330 7.627 -2.150 -19.638 1.00 10.85 MOLB

ATOM 4356 C GLY 330 8.152 -0.853 -20.170 1.00 12.15 MOLB

ATOM 4357 O GLY 330 7.880 -0.483 -21.310 1.00 14.06 MOLB

ATOM 4358 N GLU 331 8.903 -0.138 -19.336 1.00 15.32 MOLB

ATOM 4359 CA GLU 331 9.474 1.139 -19.754 1.00 17.31 MOLB

ATOM 4360 CB GLU 331 10.192 1.817 -18.610 1.00 22.33 MOLB

ATOM 4361 CG GLTJ 331 9.289 2.095 -17.442 1.00 38.26 MOLB

ATOM 4362 CD GLU 331 9.875 3.107 -16.462 1.00 49.15 MOLB

ATOM 4363 OBI GLU 331 9.487 3.029 -15.268 1.00 55.35 MOLB

ATOM 4364 OΞ2 GLU 331 10.707 3.966 -16.891 1.00 50.78 MOLB

ATOM 4365 C GLU 331 10.403 1.015 -20.933 1.00 17.02 MOLB

ATOM 4366 O GLU 331 10.279 1.783 -21.898 1.00 18.43 MOLB

ATOM 4367 N THR 332 11.322 0.050 -20.875 1.00 16.33 MOLB

ATOM 4368 CA THR 332 12.282 -0.180 -21.956 1.00 12.87 MOLB

ATOM 4369 CB THR 332 13.126 -1.439 -21.677 1.00 11.97 MOLB

ATOM 4370 OGl THR 332 13.756 -1.302 -20.413 1.00 14.92 MOLB

ATOM 4371 CG2 THR 332 14.202 -1.628 -22.765 1.00 4.32 MOLB

ATOM 4372 C THR 332 11.549 -0.333 -23.278 1.00 12.54 MOLB

ATOM 4373 O THR 332 11.866 0.346 -24.254 1.00 11.04 MOLB

ATOM 4374 N HIS 333 10.552 -1.210 -23.299 1.00 13.65 MOLB

ATOM 4375 CA HIS 333 9.774 -1.424 -24.510 1.00 14.80 MOLB

ATOM 4376 CB HIS 333 8.664 -2.458 -24.284 1.00 16.04 MOLB

ATOM 4377 CG HIS 333 7.796 -2.679 -25.487 1.00 16.64 MOLB

ATOM 4378 CD2 HIS 333 7.938 -3.511 -26.548 1.00 17.32 MOLB

ATOM 4379 NDl HIS 333 6.665 -1.935 -25.736 1.00 12.81 MOLB

ATOM 4380 CB1 HIS 333 6.152 -2.296 -26.901 1.00 11.08 MOLB

ATOM 4381 NΞ2 HIS 333 6.904 -3.251 -27.416 1.00 15.11 MOLB

ATOM 4382 C HIS 333 9.142 -0.135 -24.985 1.00 16.15 MOLB ATOM 4383 O HIS 333 9.068 118 -26.195 1.00 17.09 MOLB

ATOM 4384 N HIS 334 8.684 695 -24.053 1.00 15.60 MOLB

ATOM 4385 CA HIS 334 8.064 940 -24.481 1.00 17.88 MOLB

ATOM 4386 CB HIS 334 .413 648 -23.304 1.00 15.39 MOLB

ATOM 4387 CG HIS 334 .587 825 -23.714 1.00 20.07 MOLB

ATOM 4388 CD2 HIS 334 .816 149 -23.588 1.00 17.13 MOLB

ATOM 4389 NDl HIS 334 .395 707 -24.403 1.00 20.44 MOLB

ATOM 4390 CB1 HIS 334 4.928 908 -24.685 00 18.58 MOLB

ATOM 4391 NΞ2 HIS 334 5.773 799 -24.199 00 23.76 MOLB

ATOM 4392 C HIS 334 9.086 859 -25.146 00 21.30 MOLB

ATOM 4393 O HIS 334 8.894 3.327 -26.274 00 20.58 MOLB

ATOM 4394 N TRP 335 10.171 3.102 -24.415 00 23.63 MOLB

ATOM 4395 CA TRP 335 11.277 930 -24.873 00 21.02 MOLB

ATOM 4396 CB TRP 335 12.448 804 -23.898 00 20.74 MOLB

ATOM 4397 CG TRP 335 13.654 559 -24.321 00 22.37 MOLB

ATOM 4398 CD2 TRP 335 13.975 910 -23.979 00 21.10 MOLB

ATOM 4399 CΞ2 TRP 335 15.194 227 -24.629 00 23.49 MOLB

ATOM 4400 CΞ3 TRP 335 13.355 883 -23.185 1.00 16.26 MOLB

ATOM 4401 CDl TRP 335 14.658 118 -25.138 1.00 25.38 MOLB

ATOM 4402 NΞ1 TRP 335 15.587 115 -25.326 1.00 25.83 MOLB

ATOM 4403 CZ2 TRP 335 15.808 7.478 -24.513 1.00 25.89 MOLB

ATOM 4404 CZ3 TRP 335 13.962 8.128 -23.059 1.00 20.69 MOLB

ATOM 4405 CH2 TRP 335 15.180 8.417 -23.724 1.00 26.07 MOLB

ATOM 4406 C TRP 335 11.731 3.,539 -26.271 1.00 19.35 MOLB

ATOM 4407 O TRP 335 11.830 4..380 -27.164 1.00 20.09 MOLB

ATOM 4408 N LΞU 336 12.010 2,.259 -26.466 1.00 17.23 MOLB

ATOM 4409 CA LΞU 336 12.466 1..790 -27.768 1.00 17.09 MOLB

ATOM 4410 CB LΞU 336 12.862 0.316 -27.675 1.00 17.03 MOLB

ATOM 4411 CG LΞU 336 14.081 0.040 -26.787 1.00 17.22 MOLB

ATOM 4412 CDl LΞU 336 14.358 1.458 -26.720 1.00 19.24 MOLB

ATOM 4413 CD2 LΞU 336 15.291 0.809 -27.328 1.00 15.43 MOLB

ATOM 4414 C LΞU 336 11.436 1.995 -28.883 1.00 17.16 MOLB

ATOM 4415 O LΞU 336 11.789 2.336 -30.014 00 16.45 MOLB

ATOM 4416 N THR 337 10.168 1.789 -28.557 00 18.29 MOLB

ATOM 4417 CA THR 337 9.100 1.947 -29.537 00 19.01 MOLB

ATOM 4418 CB THR 337 755 1.525 -28.914 00 16.66 MOLB

ATOM 4419 OGl THR 337 835 0.153 -28.515 00 17.09 MOLB

ATOM 4420 CG2 THR 337 615 1.711 -29.898 00 , 4.07 MOLB

ATOM 4421 C THR 337 014 3.385 -30.037 00 19.25 MOLB

ATOM 4422 O THR 337 8.895 3.631 -31.238 00 20.44 MOLB

ATOM 4423 N GLU 338 9.087 4.325 -29.099 1.00 20.53 MOLB

ATOM 4424 CA GLU 338 9.031 5.741 -29.429 1.00 20.83 MOLB

ATOM 4425 CB GLU 338 8.850 6.577 -28.155 1.00 20.48 MOLB

ATOM 4426 CG GLU 338 7.429 6.517 -27.518 1.00 24.15 MOLB

ATOM 4427 CD GLU 338 6.306 6.887 -28.487 1.00 21.54 MOLB

ATOM 4428 OBI GLU 338 5.537 5.994 -28.886 1.00 22.06 MOLB

ATOM 4429 OΞ2 GLU 338 6.193 8.071 -28.849 1.00 23.65 MOLB

ATOM 4430 C GLU 338 10.277 6.178 -30.191 1.00 21.37 MOLB

ATOM 4431 O GLU 338 10.195 003 -31.112 1.00 22.71 MOLB

ATOM 4432 N ARG 339 11.421 599 -29.818 1.00 21.69 MOLB

ATOM 4433 CA ARG 339 12.705 908 -30.450 1.00 21.37 MOLB

ATOM 4434 CB ARG 339 13.854 483 -29.544 1.00 20.69 MOLB

ATOM 4435 CG ARG 339 13.938 256 -28.226 1.00 24.14 MOLB

ATOM 4436 CD ARG 339 14.612 607 -28.420 1.00 23.82 MOLB

ATOM 4437 NΞ ARG 339 16.054 7.475 -28.635 1.00 25.35 MOLB ATOM 4438 CZ ARG 339 16.802 8.386 ■29.250 1.00 24.82 MOLB

ATOM 4439 NHl ARG 339 18.115 8.195 ■29.403 1.00 21.77 MOLB

ATOM 4440 NH2 ARG 339 16.231 9.482 ■29.726 1.00 23.67 MOLB

ATOM 4441 C ARG 339 12.867 5.245 -31.823 1.00 20.99 MOLB

ATOM 4442 O ARG 339 13.903 5.390 -32.468 1.00 24.53 MOLB

ATOM 4443 N GLY 340 11.861 4. .493 ■32.255 1.00 18.99 MOLB

ATOM 4444 CA GLY 340 11.947 3. .844 -33.543 1.00 15.74 MOLB

ATOM 4445 C GLY 340 12.688 2. .520 ■33.554 1.00 17.95 MOLB

ATOM 4446 O GLY 340 12.929 1. ,957 -34.614 1.00 16.20 MOLB

ATOM 4447 N VAL 341 13.059 2. .003 ■32.390 1.00 17.42 MOLB

ATOM 4448 CA VAL 341 13.759 0. .739 -32.388 1.00 16.78 MOLB

ATOM 4449 CB VAL 341 14.655 0. .600 -31.180 1.00 14.04 MOLB

ATOM 4450 CGI VAL 341 15.343 -0. .742 ■31.199 1.00 11.38 MOLB

ATOM 4451 CG2 VAL 341 15.669 1. .685 -31.193 1.00 17.18 MOLB

ATOM 4452 C VAL 341 12.789 -0.434 -32.416 1.00 19.84 MOLB

ATOM 4453 O VAL 341 11.808 -0.454 -31.671 1. 00 21.27 MOLB

ATOM 4454 N ASN 342 13.049 -1.404 ^■33.288 1.00 18.63 MOLB

ATOM 4455 CA ASN 342 12.177 -2.563 ■33.363 1.00 18.69 MOLB

ATOM 4456 CB ASN 342 12.408 -3. 345 -34.665 1.00 15.19 MOLB

ATOM 4457 CG ASN 342 11.433 -4.502 -34.829 1.00 20.86 MOLB

ATOM 4458 OD1 ASN 342 11.268 -5.037 -35.905 1.00 21.44 MOLB

ATOM 4459 ND2 ASN 342 10.789 -4.889 -33.746 1.00 26.89 MOLB

ATOM 4460 C ASN 342 12.398 -3.484 -32.166 1.00 18.84 MOLB

ATOM 4461 O ASN 342 13.526 -3.864 -31.874 1.00 23.23 MOLB

ATOM 4462 N THR 343 11.320 -3.836 -31.468 00 20.59 MOLB

ATOM 4463 CA THR 343 11.392 -4.719 -30.303 00 21.46 MOLB

ATOM 4464 CB THR 343 10.485 -4. 242 -29.151 00 16.20 MOLB

ATOM 4465 OGl THR 343 9.181 -3.924 -29.658 00 17.12 MOLB

ATOM 4466 CG2 THR 343 11.069 -3.040 -28.472 00 16.66 MOLB

ATOM 4467 C THR 343 10.985 -6.154 -30.623 00 22.84 MOLB

ATOM 4468 O THR 343 11.492 -7.086 -30.016 00 27.62 MOLB

ATOM 4469 N SΞR 344 10.074 -6.343 -31.566 1.00 23.59 MOLB

ATOM 4470 CA SΞR 344 9.641 -7.686 -31.905 1.00 23.14 MOLB

ATOM 4471 CB SER 344 8.458 -7.641 -32.871 1.00 23.01 MOLB

ATOM 4472 OG SΞR 344 8.839 -7.002 -34.077 1.00 30.07 MOLB

ATOM 4473 C SΞR 344 10.778 -8.466 -32.546 1.00 23.32 MOLB

ATOM 4474 O SΞR 344 10.816 -9.692 -32.453 1.00 23.19 MOLB

ATOM 4475 N SΞR 345 11.701 -7.778 -33.209 1.00 21.59 MOLB

ATOM 4476 CA SΞR 345 12.811 -8.495 -33.814 1.00 24.85 MOLB

ATOM 4477 CB SΞR 345 13.773 -7.528 -34.516 1.00 24.70 MOLB

ATOM 4478 OG SΞR 345 14.304 -6.580 -33.611 1.00 30.08 MOLB

ATOM 4479 C SΞR 345 13.560 -9.333 -32.754 1.00 25.30 MOLB

ATOM 4480 O SΞR 345 14.128 ■10.369 -33.068 1.00 28.15 MOLB

ATOM 4481 N TYR 346 13.564 -8.898 -31.499 1.00 26.46 MOLB

ATOM 4482 CA TYR 346 14.234 -9.652 -30.437 1.00 28.36 MOLB

ATOM 4483 CB TYR 346 14.372 -8.801 -29.160 1.00 26.73 MOLB

ATOM 4484 CG TYR 346 15.502 -7.792 -29.185 1.00 27.14 MOLB

ATOM 4485 CDl TYR 346 16.829 -8.191 -28.975 1.00 22.09 MOLB

ATOM 4486 CB1 TYR 346 17.883 -7.280 -29.036 1.00 25.39 MOLB

ATOM 4487 CD2 TYR 346 15.251 -6.446 -29.455 1.00 26.89 MOLB

ATOM 4488 CΞ2 TYR 346 16.296 -5. 519 -29.522 1.00 28.77 MOLB

ATOM 4489 CZ TYR 346 17.614 -5.942 -29.316 1.00 28.69 MOLB

ATOM 4490 OH TYR 346 18.665 -5.047 -29.427 1.00 29.66 MOLB

ATOM 4491 C TYR 346 13.455 -10.911 30.084 1.00 31.46 MOLB

ATOM 4492 O TYR 346 14.015 -11.857 -29.525 1.00 33.33 MOLB ATOM 4493 N SΞR 347 12.169 -10.926 -30.,418 1.00 32.,22 MOLB

ATOM 4494 CA SΞR 347 11.313 -12.049 -30. ,085 1.00 35. ,78 MOLB

ATOM 4495 CB SΞR 347 9.943 -11.538 -29. ,710 1.00 34. ,85 MOLB

ATOM 4496 OG SΞR 347 10.074 -10.448 -28. ,834 1.00 39. ,00 MOLB

ATOM 4497 C SΞR 347 11.151 -13.091 -31. ,161 1.00 38. ,06 MOLB

ATOM 4498 O SΞR 347 11.227 -14.290 -30. ,899 1.00 40. ,29 MOLB

ATOM 4499 N VAL 348 10.917 -12.624 -32. ,376 1.00 39. ,56 MOLB

ATOM 4500 CA VAL 348 10.692 -13.514 -33. ,492 1.00 41. ,57 MOLB

ATOM 4501 CB VAL 348 9.954 -12.780 -34. ,609 1.00 42. ,06 MOLB

ATOM 4502 CGI VAL 348 9.414 -13.786 -35. .612 1.00 46. ,96 MOLB

ATOM 4503 CG2 VAL 348 8.807 -11.947 -34. .011 1.00 41. ,63 MOLB

ATOM 4504 C VAL 348 11.956 -14.171 -34. ,039 1.00 42. ,21 MOLB

ATOM 4505 O VAL 348 11.885 -15.200 -34. ,719 1.00 43. ,58 MOLB

ATOM 4506 N ARG 349 13.116 -13.599 -33. ,723 1.00 41. ,04 MOLB

ATOM 4507 CA ARG 349 14.392 -14.163 -34. ,174 1.00 39. ,03 MOLB

ATOM 4508 CB ARG 349 15.557 -13.262 -33. ,784 1.00 32. ,51 MOLB

ATOM 4509 CG ARG 349 15.982 -13.443 -32. .338 1.00 27. .21 MOLB

ATOM 4510 CD ARG 349 16.939 -12.340 -31. .961 1.00 29. .30 MOLB

ATOM 4511 NΞ ARG 349 17.366 -12.391 -30. .572 1.00 29. .09 MOLB

ATOM 4512 CZ ARG 349 18.181 -11.492 -30. ,034 1.00 28. .69 MOLB

ATOM 4513 NHl ARG 349 18.544 -11.590 -28. .755 1.00 25. ,81 MOLB

ATOM 4514 NH2 ARG 349 18.628 -10.491 -30. .780 1.00 24. .66 MOLB

ATOM 4515 C ARG 349 14.663 -15.554 -33, .580 1.00 40, .26 MOLB

ATOM 4516 O ARG 349 15.776 -16.053 -33. .846 1.00 43, .16 MOLB

ATOM 4517 OXT ARG 349 13.801 -16.103 -32. .846 1.00 38, .90 MOLB

ATOM 4518 NI FMN 669 34.141 -9.418 15. .076 1.00 62. .94 FMNA

ATOM 4519 C2 FMN 669 34.997 -10.064 15. .959 1.00 60. .68 FMNA

ATOM 4520 02 FMN 669 34.839 -10.070 17. .186 1.00 57, .60 FMNA

ATOM 4521 N3 FMN 669 36.147 -10.761 15. .392 1.00 59, .56 FMNA

ATOM 4522 C4 FMN 669 36.457 -10.848 14. .056 1.00 60, .18 FMNA

ATOM 4523 04 FMN 669 37.471 -11.480 13. .708 1.00 55, .11 FMNA

ATOM 4524 C4A FMN 669 35.531 -10.142 13, .108 1.00 63. .08 FMNA

ATOM 4525 N5 FMN 669 35.731 -10.162 11, .759 1.00 65, .35 FMNA

ATOM 4526 C5A FMN 6 9 34.847 -9.509 10, .900 1.00 69, .16 FMNA

ATOM 4527 C6 FMN 669 35.084 -9.531 9, .430 1.00 72, .57 FMNA

ATOM 4528 C7 FMN 669 34.249 -8.905 8, .492 1.00 75, .86 FMNA

ATOM 4529 C7M FMN 669 34.581 -8.984 6, .979 1.00 77, .66 FMNA

ATOM 4530 C8 FMN 669 33.018 -8.149 8, .966 1.00 74, .99 FMNA

ATOM 4531 C8M FMN 669 32.073 -7.453 8. .013 1.00 73, .02 FMNA

ATOM 4532 C9 FMN 669 32.767 -8.115 10, .369 1.00 73, .84 FMNA

ATOM 4533 C9A FMN 669 33.630 -8.762 11, .377 1.00 70, .49 FMNA

ATOM 4534 N10 FMN 669 33.435 -8.766 12, .858 1.00 65, .80 FMNA

ATOM 4535 CIO FMN 669 34.337 -9.438 13, .738 1.00 63, .90 FMNA

ATOM 4536 Cl* FMN 669 32.254 -8.070 13, .496 1.00 63, .78 FMNA

ATOM 4537 C2* FMN 669 32.412 -6.555 13, .551 1.00 61, .61 FMNA

ATOM 4538 02* FMN 669 33.595 -6.174 14 .243 1.00 61, .02 FMNA

ATOM 4539 C3* FMN 669 31.155 -5.807 14 .229 1.00 59, .93 FMNA

ATOM 4540 03* FMN 669 30.811 -6.355 15 .575 1.00 57, .07 FMNA

ATOM 4541 C4* FMN 669 29.849 -5.811 13 .360 1.00 57, .21 FMNA

ATOM 4542 04* FMN 669 29.290 -7.143 13 .185 1.00 61, .89 FMNA

ATOM 4543 C5* FMN 669 29.994 -5.290 11 .939 1.00 55 .34 FMNA

ATOM 4544 05* FMN 669 30.352 -3.897 11, .908 1.00 51, .96 FMNA

ATOM 4545 P FMN 669 29.447 -2.709 12 .435 1.00 50, .38 FMNA

ATOM 4546 01P FMN 669 29.793 -2.530 13 .893 1.00 55, .19 FMNA

ATOM 4547 02P FMN 669 27.987 -3.043 12 .207 1.00 45, .42 FMNA ATOM 4548 03P FMN 669 29.980 -1.489 11.593 1.00 50.88 FMNA

ATOM 4549 NI FMN 669 34.780 4.093 -13.191 1.00 75.34 FMNB

ATOM 4550 C2 FMN 669 35.788 4.406 -14.108 1.00 74.01 FMNB

ATOM 4551 02 FMN 669 35.653 4.334 -15.338 1.00 70.76 FMNB

ATOM 4552 N3 FMN 669 37.072 4.841 -13.570 1.00 72.54 FMNB

ATOM 4553 C4 FMN 669 37.379 4.981 -12.237 1.00 71.91 FMNB

ATOM 4554 04 FMN 669 38.513 5.364 -11.917 1.00 68.36 FMNB

ATOM 4555 C4A FMN 669 36.301 4.642 -11.254 1.00 74.68 FMNB

ATOM 4556 N5 FMN 669 36.489 4.776 -9.917 1.00 77.27 FMNB

ATOM 4557 C5A FMN 669 35.466 4.460 -9.006 1.00 80.58 FMNB

ATOM 4558 C6 FMN 669 35.693 4.626 -7.537 1.00 80.71 FMNB

ATOM 4559 C7 FMN 669 34.730 4.371 -6.563 1.00 82.21 FMNB

ATOM 4560 C7M FMN 669 35.063 4.564 -5.065 1.00 81.04 FMNB

ATOM 4561 C8 FMN 669 33.342 3.906 -6.984 1.00 83.04 FMNB

ATOM 4562 C8M FMN 669 32.244 3.611 -5.974 1.00 81.88 FMNB

ATOM 4563 C9 FMN 669 33.089 3.740 -8.388 1.00 82.76 FMNB

ATOM 4564 C9A FMN 669 34.084 4.032 -9.439 1.00 80.94 FMNB

ATOM 4565 N10 FMN 669 33.916 3.875 -10.918 1.00 77.35 FMNB

ATOM 4566 CIO FMN 669 34.968 4.213 -11.843 1.00 76.30 FMNB

ATOM 4567 Cl* FMN 669 32.602 3.444 -11.517 1.00 75.34 FMNB

ATOM 4568 C2* FMN 669 32.504 1.912 -11.705 1.00 73.73 FMNB

ATOM 4569 02* FMN 669 33.557 1.372 -12.496 1.00 75.12 FMNB

ATOM 4570 C3* FMN 669 31.122 1.466 -12.373 1.00 71.35 FMNB

ATOM 4571 03* FMN 669 30.709 2.434 -13.433 1.00 72.54 FMNB

ATOM 4572 C4* FMN 669 29.956 1.329 -11.350 1.00 68.14 FMNB

ATOM 4573 04* FMN 669 29.672 2.587 -10.657 1.00 70.63 FMNB

ATOM 4574 C5* FMN 669 30.216 0.338 -10.244 1.00 62.89 FMNB

ATOM 4575 05* FMN 669 30.119 -0.996 -10.772 1.00 56.68 FMNB

ATOM 4576 P FMN 669 29.101 -2.068 -10.240 1.00 53.89 FMNB

ATOM 4577 01P FMN 669 29.392 -3.356 -10.989 1.00 52.95 FMNB

ATOM 4578 02P FMN 669 27.693 -1.562 -10.474 1.00 53.19 FMNB

ATOM 4579 03P FMN 669 29.490 -2.213 -8.722 1.00 56.26 FMNB

ΞNDΞ

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Claims

Claims

1. A crystal which comprises the protein type π isopentenyl diphosphate:dimethylallyl diphosphate isomerase.

2. The crystal according to claim 1, characterized by space group 14 and a unit cell with a= 115.5±2 A, c= 141.5±3 A.

3. The crystal according to one of claims 1 or 2 which effectively diffracts x-rays for the determination of the atomic coordinates of the protein to a resolution better than 3.5 A.

4. The crystal according to one of claims 1 to 3, comprising a ligand bound to said protein.

5. A data storage device having stored thereon atomic coordinates of the three- dimensional structure of the protein type H isopentenyl diphosphate:dimethylallyl diphosphate isomerase, optionally in complex with a bound ligand.

6. A method of growing a crystal comprising the protein type H isopentenyl diphosphate:dimethylallyl diphosphate isomerase by, wherein an aqueous solution of said protein is mixed with a reservoir solution followed by equilibrating the mixture of said protein and said reservoir solution against said reservoir solution by vapor diffusion, whereby said reservoir solution is an aqueous solution containing 14 % (v/v) PEG 400, 2.5 % (w/v) PEG 8000, 70 mM Tricine, 30 mM Tris/HOI, 170 mM NaCl, pH 8.7.

7. Use of a crystal according to one of claims 1 to 4 for the determination of the three- dimensional structure of the protein type π isopentenyl diphosphate :dimethylallyl diphosphate isomerase or of a complex of said protein with a bound ligand.

8. A method of using the protein type H isopentenyl diphosphate :dimethylallyl diphosphate isomerase and atomic coordinates of the three-dimensional structure of said protein optionally in complex with a bound ligand, said atomic coordinates being derived from a crystal structure determination, in an inhibitor-screening assay, comprising:

(a) selecting a potential inhibitor by performing rational drug design using said atomic coordinates in conjunction with computer modelling;

(b) contacting the potential inhibitor with said protein; and

(c) detecting binding of the potential inhibitor to said protein or detecting inhibition of enzymatic activity of said protein by the potential inhibitor.

9. The method according to claim 8, wherein binding is detected by soaking a crystal comprising said protein with the potential inhibitor or by growing a crystal of said protein in the presence of the potential inhibitor and detennining the three-dimensional structure of the complex comprising the protein and the potential inhibitor.

10. A method of identifying a potential inhibitor of the protein type H isopentenyl diphosphate :dimethylallyl diphosphate isomerase by determining binding interactions between the potential inhibitor and a set of binding interaction sites in a binding cavity of said protein, comprising

(a) generating the binding cavity on a Computer screen using atomic coordinates of said protein,

(b) generating potential inhibitors with their spatial structure on the computer screen, and

(c) selecting potential inhibitors that can bind to at least 3 amino acid residues of said protein without steric interference.

11. The method of claim 10, wherein a potential inhibitor is selected in step (c) that binds at a position that interferes with the binding of flavin mononucleotide to said protein.

12. A computer-assisted method for identifying potential inhibitors of the protein type H isopentenyl diphosphate:dimethylallyl diphosphate isomerase using a programmed computer comprising a processor, a data storage system, a data input device, and a data output device, comprising the following steps: (a) inputting into the programmed computer through said input device data com p rising: atomic coordinates of a subset of the atoms of said protein and optionally atoms of a bound ligand, thereby generating a criteria data set;

(b) comparing, using said processor, the criteria data set to a computer data base of low-molecular weight organic chemical structures stored in the data storage system; and

(c) selecting from said data base, using computer methods, a chemical structure having a portion that is structurally complementary to the criteria data set pertaining to the protein, and/or structurally similar to the criteria data set pertaining to the bound ligand, and being free of steric interference with the protein.

13. A computer-assisted method for identifying potential inhibitors of the protein type H isopentenyl diphosphate:dimethylallyl diphosphate isomerase using a programmed computer comprising a processor, a data storage system, a data input device, and a data output device, comprising the following steps:

(a) inputting into the programmed computer through said input device data comprising: atomic coordinates of a subset of the atoms of said protein and optionally atoms of a bound ligand, thereby generating a criteria data set; and

(b) constructing, using computer methods, a model of a chemical structure having a portion that is structurally complementary to the criteria data set pertaining to the protein and/or structurally similar to the criteria data set pertaining to the bound ligand and being free of steric interference with the protein.

14. A method of identifying a candidate inhibitor capable of binding to and inhibiting the enzymatic activity of the protein type H isopentenyl diphosphate:dimethylallyl diphosphate isomerase, said method comprising the following steps:

(a) introducing into a computer information derived from atomic coordinates defining a conformation of the active site of said protein, said atomic coordinates being based on three-dimensional structure determination of said protein, optionally in complex with a bound ligand, whereby said program utilizes or displays on the computer screen the structures of said conformation; (b) generating a three-dimensional representation of a binding pocket of the active site of said protein, and optionally a three-dimensional representation of said bound ligand, by said computer program on a computer screen;

(c) superimposing a model of a candidate inhibitor on the representation of the binding pocket of the active site and/or of the bound ligand;

(d) assessing the possibility of bonding and the absence of steric interference of the candidate inhibitor with the active site of said protein;

(e) incorporating said candidate compound in an activity assay of said protein; and

(f) determining whether said candidate compound inhibits enzymatic activity of said protein.

15. The method according to claim 14, wherein said assessing the possibility of bonding of step (d) comprises using information of at least some of the following interactions of the active site with the bound ligand flavin mononucleotide (FMN):

Gly259 contacting with its amide group the phosphate group of FMN;

Als280 contacting with its amide group the phosphate group of FMN;

Gly281 contacting with its amide group the phosphate group of FMN;

Ser93 hydrogen bonding with its backbone amide group the 04 oxygen of FMN;

Thr64 hydrogen bonding with its backbone amide group the N5 nitrogen of FMN;

Asnl22 bonding with its side-chain carboxamide group the 03 oxygen of FMN;

Asnl22 bonding with its side-chain carboxamide group the N3 nitrogen of FMN;

Met63 supporting the dimethylbenzene ring of FMN;

Asp289 contacting the dimethylbenzene ring of FMN of another subunit.

16. The method according to one of claims 8 to 15, wherein the atomic coordinates are known to a resolution of at least 3.0 A.

17. The method according to one of claims 10 to 15, wherein compounds are selected that can bind to at least 5 binding sites of said protein.

18. The method of one of claims 4, 5, 7 to 9,12 to 15, wherein said bound ligand is flavin mononucleotide (FMN).

9. A compound having a chemical structure obtained or obtainable by the method of one of claims 8 to 18, said compound being an inhibitor of the protein type π isopentenyl diphosphate:dimethylallyl diphosphate isomerase.