Patent Publication Number: US-8124390-B2

Title: Aromatic prenyltransferases, nucleic acids encoding same and uses therefor

Description:
RELATED APPLICATIONS 
     This application is a divisional of non provisional application Ser. No. 12/106,181 filed Apr. 18, 2008 now U.S. Pat. No. 7,544,498 which is a divisional of application Ser. No. 11/342,328 filed Jan. 27, 2006, now U.S. Pat. No. 7,361,483, which claims priority from U.S. provisional application No. 60/648,046, filed Jan. 28, 2005, the entire contents of each of which are hereby incorporated by reference herein. 
    
    
     SEQUENCE LISTING 
     The instant application contains a Sequence Listing which has been submitted via EFS-Web and is hereby incorporated by reference in its entirety. Said. ASCII copy, created on Jun. 23, 2010, is named SALK3203.txt and is 13,157 bytes in size. 
     FIELD OF THE INVENTION 
     The present invention relates to aromatic prenyltransferases, nucleic acids encoding same, crystalline forms of aromatic prenyltransferases, and various uses therefor. In one embodiment, methods are provided for predicting the activity and/or substrate specificity of putative aromatic prenyltransferases. In another embodiment, methods of screening compounds to identify compounds which bind aromatic prenyltransferases and/or modulate the activity thereof, are provided. In yet another embodiment, methods of screening compounds to identify potential substrates of aromatic prenyltransferases are provided. In still another embodiment, methods are provided for prenylating aromatic structures, as well as controlling and/or modifying the degree of prenylation promoted by aromatic prenyltransferases. In a further embodiment, methods are provided for identifying proteins having the newly discovered beta/alpha barrel structure. In a still further embodiment, methods are provided for controlling and/or modifying the substrate specificity of aromatic prenyltransferases. 
     BACKGROUND OF THE INVENTION 
     Nature is a prolific producer of small molecules that have evolved to interact with diverse biological targets. From a human health perspective, natural products have dramatically altered our lives by providing many front-line drugs as well as chemical probes to unravel basic molecular pathways germane to health and disease. Although natural products continue to provide about half of all new chemical entities approved as drugs by the US Food and Drug Administration, drug discovery during the latter part of the 20 th  century shifted away from natural products towards synthetic libraries. This paradigm shift reflected the complexity of small, natural libraries against the simplicity of large, combinatorial synthetic libraries and was rationalized in order to keep pace with the enormous capacity of industrial high-throughput screening programs. New drugs from combinatorial chemical libraries, however, did not materialize during this time period, while natural products continued as an important source. Natural products, like drugs, cover a chemical space that is much more diverse than combinatorial compounds, thereby reflecting the rich chemical diversity of this resource. 
     Recent technological advances in natural product research involving isolation, characterization, synthesis, and biosynthesis have rekindled an interest in their investigation in academia and industry. With the advent of modern molecular biology, the field of biosynthesis has blossomed over the past decade with new approaches to generate biosynthetic libraries that further extend natural product structural diversity into new chemical space. In vivo approaches involving combinatorial biosynthesis, mutasynthesis, and precursor-directed biosynthesis and complementary in vitro approaches that combine chemical synthesis and enzymology (chemoenzymatic synthesis) have led to impressive libraries of novel molecules never encountered in nature. Natural product structural classes that have been biosynthetically manipulated in this fashion include the polyketides, nonribosomal peptides, terpenoids, and alkaloids. Most progress in this burgeoning field has resided with the actinomycetes (soil bacteria), which offer impressive arrays of natural products whose biosynthetic genes are typically clustered and are thus readily amenable to genetic manipulation. One notable exception that is absent from the biosynthetic diversification platform, however, is the hybrid isoprenoid class of natural products. 
     Natural products, such as the isoprenoid (terpenoid) family of diverse chemical scaffolds have held significant interest for the synthetic organic chemistry community because they are both challenging synthetic projects and possess varied biological activities and medicinal properties. Within the terpenoid family, the total synthesis of sesquiterpene natural products and related analogs continue to dominate the chemical literature. The demand for a reliable production platform for structurally complex terpenes has increased dramatically over the last 10 years and is of growing interest. Elegant synthetic schemes for terpenoids have been developed, but suffer from low yields and low regio- and enantio-selectivity. Although engineered  E. coli  has the potential to make mg/L levels of sesquiterpene hydrocarbons, the more biologically active terpenes are highly functionalized with hydroxyl, methyl, acetyl, halide, carbohydrate, and peroxide functional groups that require multi-step biosynthetic mechanisms often tethered to endo-membrane systems conducive for metabolic coupling. By integrating biosynthetic complexity with synthetic diversification, it may be possible for many of these hurdles to the technological development of terpenoids to be overcome. 
     Moreover, hybrid compounds containing terpene-derived residues comprise a large and diverse group of natural products that command an important role in human health (see Table 1). Historically this class of compounds has provided important drugs (e.g., the anticancer agent vincristine, the antimalarial quinine and the immunosuppressant mycophenolate mofetil) as well as challenging synthetic targets (e.g., strychnine and reserpine). In addition to natural products, many important coenzymes (ubiquinone and plastoquinone) and vitamins (tocopherols, phylloquinones, and menaquinones), which function in electron transport systems, contain isoprenoid residues. 
     
       
         
           
               
             
               
                 TABLE 1 
               
             
            
               
                   
               
               
                 Representative hybrid isoprenoids, their sources and biological significance 
               
            
           
           
               
               
               
               
            
               
                 Natural Product 
                 Source 
                 Isoprenoid Hybrid 
                 Biological Activity 
               
               
                   
               
               
                 mycophenolic acid 
                 fungus 
                 polyketide 
                 immunosuppressant 
               
               
                 khellin 
                 plant 
                 polyketide 
                 bronchial asthma 
               
               
                 tetrahydrocannabinol 
                 plant 
                 polyketide 
                 narcotic, antiemetic 
               
               
                 rotenone 
                 plant 
                 isoflavonoid 
                 insecticide 
               
               
                 psoralen 
                 plant 
                 coumarin 
                 skin pigment and irritant 
               
               
                 novobiocin 
                 bacterium 
                 coumarin 
                 antibiotic 
               
               
                 lucidin 
                 plant 
                 quinine 
                 mutagen 
               
               
                 emetine 
                 plant 
                 tetrahydroisoquinoline 
                 alkaloid emetic (ipecac) 
               
               
                 ergometrine 
                 fungus 
                 ergot 
                 alkaloidoxytocic 
               
               
                 reserpine 
                 plant 
                 indole 
                 alkaloidantihypertensive 
               
               
                 vincristine 
                 plant 
                 indole alkaloid 
                 anticancer 
               
               
                 strychnine 
                 plant 
                 indole alkaloid 
                 toxin 
               
               
                 lyngbyatoxin 
                 cyanobacterium 
                 indole alkaloid 
                 inflammatory agent 
               
               
                 quinine 
                 plant 
                 quinoline alkaloid 
                 antimalarial 
               
               
                 camptothecin 
                 plant 
                 quinoline alkaloid 
                 topoisomerase/inhibitor 
               
               
                   
               
            
           
         
       
     
     Nature has assembled a myriad of scaffolds to which isoprenoids have been attached, and these include polyketides (the so-called meroterpenoids), flavonoids, coumarins, quinones, alkaloids, phenazines, and the like. Often the terpenoid unit is further elaborated by electrophilic cyclization and oxidative chemistry upon attachment to its building block, thereby leading to the great structural diversity observed within this group. While most of these natural products contain a single isoprenoid unit of varying chain length, others harbor multiple isoprene units such as in the tetraprenylated benzoylphloroglucinol derivatives sampsoniones A-I. 
     The vast majority of hybrid isoprenoids are derived from eukaryotes, particularly plants. For instance, over a thousand monoterpenoid indole alkaloids have been characterized, making this a major class of plant alkaloids. On the other hand, terpenoids, and in particular hybrid isoprenoids, appear to have a limited distribution in prokaryotes. While actinomycetes are metabolically very rich bacteria and produce many important biosynthetic classes of natural products that include polyketides, nonribosomal peptides, aminoglycosides, and the like, the terpenoids are notably scarce. As a consequence, while other natural product structural classes have been biosynthetically exploited in the drug discovery arena, the hybrid isoprenoids are noticeably absent due to our limited understanding of their biosynthesis at the biochemical and genetic levels. 
     The majority of the basic understanding of how hybrid isoprenoids are biosynthesized in plants, fungi and bacteria is based on feeding experiments with labeled precursors. Enzymes and their encoding genes associated with interfacing isoprenyl diphosphates with their small molecule building blocks are very few and are mostly associated with plant natural products such as shikonin and with coenzymes and vitamins such as the ubiquinones, plastoquinones, menaquinones, and tocopherols. Very recently, two prokaryotic prenyltransferases (PTases) involved in the biosynthesis of the streptomycete antibiotics clorobiocin and novobiocin and the cyanobacterial toxin lyngbyatoxin were discovered. These soluble, monomeric PTases contrast with the membrane-associated PTases previously identified from eukaryotes. 
     Actinomycetes produce a limited set of pure and hybrid terpenoids. The antibiotic novobiocin was the first streptomycete natural product discovered with a terpenoid side chain; this group has since grown to include other members bearing naphthoquinones (naphterpin, furaquinocin, napyradiomycins), phenazines (lavanducyanin, aestivophoenin), shikimate-derived quinones, and other aromatic substrates (see  FIG. 1B ). Feeding experiments delineated a number of biosynthetic pathways, including those to novobiocin, naphterpin, and furaquinocin, and revealed that actinomycetes utilize both the mevalonate and nonmevalonate (methyl-D-erythritol 4-phosphate (MEP)) pathways to synthesize their isoprene building blocks. 
     The development of novel methodologies related to natural products chemistry and biosynthesis is of growing interest. Prenylated aromatic natural products appear to be a very promising class of therapeutically compounds. The prenylation of aromatic compounds often leads to significant alteration in the bioactivity profile of a compound, by both the creation of a novel C—C bond and also the introduction of one or more double bonds in the framework of the final product. Such compounds can affect a wide variety of biological systems in mammals and include roles as antioxidants, anti-inflammatories, anti-virals, anti-proliferatives, and anti-cancers. 
     Prenyltransferases (PTases) are ubiquituous enzymes that catalyze the alkylation of electron rich prenyl acceptors by the alkyl moieties of allylic isoprene diphosphates. Prenyltransferases utilize isoprenoid diphosphates as substrates, and catalyze the addition of the acyclic prenyl moiety to isopentenyl diphosphate (IPP), higher order prenyl diphosphates, aromatic rich molecules and proteins. Until now, only a few “aromatic” prenyltransferases have been isolated, each of which has been shown to interact with only a limited range of substrate(s) and/or prenyl donors. Such prenyltransferases have otherwise only been nominally characterized; and none of such prenyltransferases have been characterized at the structural level. 
     Accordingly, there is a need in the art for the identification of novel enzymes capable of promoting the prenylation of aromatic compounds, as well as compounds which can modulate the prenylation of aromatic compounds. These and other needs are addressed by the present invention, as described in greater detail in the specification and claims which follow. 
     SUMMARY OF THE INVENTION 
     In accordance with the present invention, a novel aromatic prenyltransferase, Orf2 from  Streptomyces  sp. strain CL190, involved in naphterpin biosynthesis (Shin-ya, et al., in J. Antibiot. (Tokyo) 43, 444-447 (1990)) has been identified and the structure thereof elucidated. This prenyltransferase catalyzes the formation of a C—C bond between a prenyl group and a compound containing an aromatic nucleus, and also displays C—O bond formation activity. Numerous crystallographic structures of the prenyltransferase have been solved and refined, e.g., (1) prenyltransferase complexed with a buffer molecule (TAPS), (2) prenyltransferase as a binary complex with geranyl diphosphate (GPP) and Mg 2+ , and prenyltransferase as ternary complexes with a non-hydrolyzable substrate analogue, geranyl S-thiolodiphosphate (GSPP) and either (3) 1,6-dihydroxynaphthalene (1,6-DHN), or (4) flaviolin (i.e., 2,5,7-trihydroxy-1,4-naphthoquinone, which is the oxidized product of 1,3,6,8-tetrahydroxynaphthalene (THN)). These structures have been solved and refined to 1.5 Å, 2.25 Å, 1.95 Å and 2.02 Å, respectively. This first structure of an aromatic prenyltransferase displays an unexpected and non-canonical (β/α)-barrel architecture. 
     The complexes with both aromatic substrates and geranyl containing substrates and analogs delineate the active site and are consistent with a proposed electrophilic mechanism of prenyl group transfer. These structures also provide a mechanistic basis for understanding prenyl chain length determination and substrate recognition in this structurally unique family of aromatic prenyltransferases. This structural information is useful for predicting the aromatic prenyltransferase activity of proteins. 
     Specifically, the present disclosure describes the identification of two novel aromatic prenyltransferases with promiscuous activity: Orf2 from  Streptomyces  CL.190 and HypSc from  Streptomyces coelicolor . The present disclosure also describes a high resolution structure of a new type of (β/α-barrel which provides a useful structural template for understanding the mechanistic features accompanying Orf2&#39;s promiscuous activity with respect to a number of aromatic prenyl acceptors and its means of regulating prenyl chain length specificity through a well ordered prenyl chain binding surface. The (β/α-barrel catalyzes the prenylation of aromatic compounds, accepts a wide range of aromatic substrates and uses hydrophobic interactions to bind the hydrocarbon moiety of an allylic diphosphate substrate (GPP or FPP). 
     It is demonstrated herein that this “biosynthetic barrel” can be used as starting point for engineering the prenylation of natural products of both microbial and plant origin. The structural details involved in substrate specificity in this newly characterized small molecule prenyltransferase enables the biosynthetic diversification of numerous aromatic compounds found in nature, and of synthetic origin by providing a structurally guided process of enzyme design and evolution, leading to the production and metabolic engineering of novel prenylated natural products through in vivo transgenic approaches, or ultimately, for in vitro combinatorial chemistry. 
    
    
     
       BRIEF DESCRIPTION OF THE FIGURES 
         FIG. 1A  presents the structures of hybrid terpenoid-polyketide compounds produced by Actinomycetes. The synthesis of naphterpin involves the prenylation of THN, flaviolin or a derived metabolite using a GPP co-substrate. THN is produced from malonyl-CoA by the action of THN synthase encoded by orf3. THN is readily oxidized to give a hydroquinone derivative, 2,5,7-trihydroxy-1,4-naphthoquinone (flaviolin). The THN skeleton is further modified, prenylated and incorporated into hybrid terpenoid-polyketide compounds such as naphterpin, furaquinocin A, napyradiomycin A and marinone. 
         FIG. 1B  provides structures of representative hybrid isoprenoids from actinomycetes. Isoprenoid units are appended to naphthoquinone (see naphterpin, marinone, neomarinone, and Q525.518), phenol (see novobiocin), phenazine (see lavanducyanin and aestivophoenin B), and nitropyrrole (see Q509.364) residues via C-, N-, and O-linkages, as appropriate. 
         FIG. 1C  presents a structure based multiple sequence alignment. The orf2 gene product from  Streptomyces  sp. strain CL190, Orf2 (SEQ ID NO: 2), is a 33 kDa soluble, monomeric protein comprising 307 residues. PSI-BLAST searches revealed strong homologies between Orf2 and three other bacterial proteins: a protein from  Streptomyces coelicolor  A3(2) (HypSc, accession number AL939130) (SEQ ID NO: 5) and the previously described 4-hydroxyphenylpyruvate:dimethylallyl transferase genes, cloQ (accession number AF329398) (SEQ ID NO: 7) and novQ (accession number AF170880) (SEQ ID NO: 6), from  Streptomyces roseochromogenes  and  Streptomyces spheroides  NCIMB 11891, respectively. Residues (one-letter amino acid code) are numbered according to Orf2&#39;s sequence. Dashes represent insertions and deletions. This alignment has been linked with the known Orf2 secondary structure and rendered with ESPript (accessible via the internet on the world wide web at the URL “prodes.toulouse.inra.fr/ESPript”). The coding is as follows: grey on grey for residues located in the active site, white on black for residues strictly conserved, and white on grey overlay for residues both strictly conserved and located in the active site. Residues bounded by grey frames represent similar residues in the aligned sequences. 
         FIG. 2A  illustrates the Mg 2+  dependent prenylation of 1,6-DHN. The reaction buffer consisted of 50 mM HEPES (pH 7.5), 5 mM 1,6-DHN, and 5 mM GPP in a final volume of 20 μl. The reaction was initiated by adding 20 μg of Orf2 to the assay mixture. After incubation at 25° C. for 4 hours, the mixture was dried, and spotted on a silica gel TLC plate. The TLC plate was developed with a chloroform/methanol (20:1) solvent mixture 1,6-DHN and reaction products were detected at 254 nm. The chemical analyses of the two HPLC purified products were accomplished by both MS and  1 H NMR analyses. In lane 1 (control), Orf2 was boiled prior to adding. The reaction mixture in lane 2 contained no MgCl 2 , while 5 mM MgCl 2  was added in lane 3. 
         FIG. 2B  illustrates the promiscuous activity of Orf2. Several assays were conducted, employing a variety of potential substrates, i.e., 1,3-DHN (1), 1,6-DHN (2), 2,7-DHN (3), 4-HPP (4) and several isoflavonoids and polyketide derivatives, including daidzein (7,4′-dihydroxyisoflavonone, 5), formononetin (7-hydroxy, 4′-methoxyisoflavonone, 6), fisetin (3,3′,4′,7-tetrahydroxyflavone, 7), genistein (5,7,4′-trihydroxyisoflavone, 8), naringenin (5,7,4′-trihydroxyflavonone, 9), flaviolin (10), olivetol (11), olivetolic acid (12), and resveratrol (3,4′,5-trihydroxystilbene, 13). The chemical structures of four reaction products (i.e., 1,6-dihydroxy 2-geranyl naphthalene (14), 1,6-dihydroxy 5-geranyl naphthalene (15), 6-geranyl naringenin (16) and 7-O-geranyl naringenin (17)) were determined by both MS and  1 H NMR analyses. The reaction buffer consisted of 50 mM HEPES (pH 7.5), 5 mM MgCl 2 , and 0.1 mM GPP, 0.009 mM [ 14 C]GPP, and 0.1 mM of each substrate, in a final volume of 20 μl. The reaction was initiated by adding 30 μg of Orf2 to the assay mixture. After incubation at 25° C. for 6 hours, the mixture was dried, and spotted on a silica gel TLC plate. The TLC plate was developed with a chloroform/methanol (15:1) solvent mixture. Reaction products were detected with a [ 14 C] imaging plate (Fuji Photo Film). 
         FIGS. 3A ,  3 B,  3 C,  3 D and  3 E collectively present a comparison of the different types of protein barrel topologies. Two-dimensional topology diagrams and three dimensional views of protein barrels are displayed from top to bottom. Each secondary structure element (helices represented as circles (or spiral ribbons) and β-strands as triangles (or flat ribbons)) maintains directionality (N to C) which is either “up” (out of the plane of the diagram) or ‘down’ (into the plane of the diagram). The direction of elements can be deduced from the connecting lines, and also from the orientation of the strands. 
         FIG. 3A  illustrates an α/β-barrel (e.g., an human aldo-keto reductase complexed with NADP +  and glucose 6-phosphate (pdb entry 2ACQ)). 
         FIG. 3B  illustrates a β/α-barrel (e.g.,  Streptomyces  sp. strain CL190 Orf2 aromatic prenyltransferase complexed with GSPP, DHN2 and Mg 2+ ). 
         FIG. 3C  illustrates an α+/β-barrel (e.g., a dimeric ferrodoxin-like α+/β sandwich fold of the ActVA-Orf6 monooxygenase (pdb entry 1LQ9) from  S. coelicolor  A3). 
         FIG. 3D  illustrates α/β-barrel (e.g., human fatty acid binding protein, M-FABP, complexed with one molecule of stearic acid (pdb entry 1HMT). 
         FIG. 3E  illustrates an α-α barrel (e.g., the β-subunit of the  Rattus norvegicus  protein farnesyltransferase complexed with farnesylated Ras4B peptide product and farnesyl diphosphate substrate bound simultaneously (pdb entry 1KZO)). 
         FIGS. 4A ,  4 B and  4 C collectively present close-up views of the Orf2 active site in different complexes. 
         FIG. 4A  illustrates the following complexes: the TAPS molecule, bound GPP, and GSPP with either 1,6-DHN or flaviolin. 
         FIG. 4B  illustrates the structure of the divalent metal binding site. A representative 2f o -f c  electron density map (rendered from a normalized map at 1.0 σ level) displays octahedral coordination of the Mg 2+  ion, where two oxygen atoms, one from Asp 62, and one from the diphosphate moiety of the GSPP molecule contribute together with four water molecules to the octahedral coordination geometry. 
         FIG. 4C  provides a schematic representation of the Orf2 active site. The side chain involved in Mg 2+ , GSPP and 1,6-DHN binding is depicted with hydrogen and coordination bonds as grey dashed lines. Black dashed lines represent indirect hydrogen bonds via a water molecule. This close-up view, shown in an identical orientation to that in  FIG. 4A , is rotated by 180 degrees along the vertical axis compared to that depicted in  FIG. 4B . The half circles depict van der Waals contacts with the two substrates. Tentative depth queuing coding is as follows: grey for residues in the back of the GSPP-1,6-DHN plane, black in the same plane, and thick black for residues in the front. 
         FIG. 5  presents a schematic and structural representation of the proposed mechanism for aromatic prenylation in the Orf2 active site. This panel depicts the binding of the aromatic substrate next to the GPP molecule, formation of a geranyl carbocation (noted G+), rotation of the prenyl chain into a productive conformation, electrophilic attack of the carbocation on the aromatic ring of 1,6-DHN, formation of a σ-complex, and final proton removal by a water molecule. 
         FIG. 6  presents active site models for Orf2 homologs. Modeling of CloQ/NovQ and HypSc were performed using Orf2 as a structural template, Side chains presenting potentially significant variation between the different active sites are displayed and labeled. Conserved residues in the different models include Asp 110, Lys 119, Asn 173, Tyr 175, Tyr 216, and Arg 228, of which only Asp 110 and Arg 228 are displayed for clarity. 
         FIG. 7  relates to the functional evaluation of HypSc. Thus, HypSc prenyltransferase activity was assayed as described above with respect to  FIG. 2A , using 1,6-DHN as a prenyl acceptor (in each of lanes 1-4), with no prenyl acceptor in lane 1, DMAPP in lanes 2 and 3, and GPP in lane 4. No Mg 2+  was used in lane 2. The samples were incubated overnight at room temperature. 
         FIG. 8  is a block diagram of a computer system contemplated for use in the practice of the present invention. 
     
    
    
     DETAILED DESCRIPTION OF THE INVENTION 
     Naphterpin is a bioactive natural product (hemiterpenoidal anti-oxidant agent) produced by  Streptomyces  sp. strain CL190 via both the mevalonate (MVA) isoprenoid biosynthetic pathway as well as a polyketide biosynthetic pathway (see, for example, Shin-ya, et al., in Tetrahedron Lett. 31, 6025-6026 (1990); Shin-ya, et al., in J. Antibiot. (Tokyo) 43, 444-447 (1990); and Seto, et al, in Tetrahedron Letters 37(44):7979 (1996), see also  FIG. 1A ). The compound is composed of a tetrahydroxynaphthalene (THN) derivative and a geranyl moiety. THN is known in the art to be biosynthesized from 5 molecules of malonyl coenzyme A (CoA) by the action of type III polyketide synthase (THN synthase) cloned from  Streptomyces griseus  (see Funa, et al., in Nature 400, 897-899 (1999)) and  Streptomyces coelicolor  (see Izumikawa et al., in J. Ind. Microbiol. Biotechnol. 30:510-515 (2003)). Compounds with naphthoquinone rings, including naphterpin, furaquinocin, napyradiomycin and marinone, are biosynthesized via the symmetric polyketide intermediate 1,3,6,8-tetrahydroxynaphthalene (THN; see Shin-ya, et al., in J. Antibiot. (Tokyo) 43, 444-447 (1990)) ( FIG. 1A ). In  Streptomyces griseus  and  Streptomyces coelicolor  A3(2), THN is the product of a chalcone synthase-like type III polyketide synthase (PKS), known as THN synthase (THNS) (Austin and Noel, Nat Prod Rep 20(1):79-110 (2003). THN readily (or enzymaticaly) oxidizes forming a hydroquinone derivative, 2,5,7-trihydroxy-1,4-naphthoquinone (flaviolin), part of which subsequently undergoes polymerization to form a variety of colored polymeric compounds (Funa et al., Nature 400(6747):897-9 (1999)). 
     In addition to its role in pigment production, the THN skeleton is further modified and incorporated into naphterpin in  Streptomyces  sp. strain CL190 (Shin-ya et al., J. Antibiot (Tokyo) 45(1):124-5 (1992)). 
     In actinomycetes, three mevalonate gene clusters have been cloned to date, i.e., from CL190 , Kitasatospora griseola  (terpentecin producer) (see Hamano, et al., in Biosci. Biotechnol. Biochem. 65:1627-1635 (2001)), and  Actinoplanes  sp. strain A40644 (BE-40644 producer) (see Kawasaki, et al., in J. Antibiot. 56:957-966 (2003)). All of these clusters encode mevalonate kinase, diphosphomevalonate decarboxylase, phosphomevalonate kinase, isopentenyl diphosphate isomerase, 3-hydroxy-3-methylglutaryl (HMG)-CoA reductase, and HMG-CoA synthase. The order of each of the genes is also the same and respective homologous genes have 50 to 80% amino acid identity with each other. 
     In contrast to the high conservation of the mevalonate pathway gene clusters, a diversity of genes is distributed in their flanking regions. For example, the geranylgeranyl diphosphate synthase, a key enzyme of the terpentecin biosynthesis, is encoded in the region just upstream of the mevalonate kinase gene, with the terpentecin biosynthetic gene cluster located further upstream. In addition, farnesyl diphosphate synthase, a key enzyme of the BE-40644 biosynthesis, is located just upstream of the mevalonate kinase gene, with the BE-40644 biosynthetic gene cluster located in the region downstream of the mevalonate pathway gene cluster. 
     These facts, taken together, gave rise to the hypothesis that the mevalonate pathway genes cluster, that terpenoid biosynthetic genes are usually clustered in a terpenoid-producing actinomycetes, and that the mevalonate pathway gene cluster could be a good marker to clone the terpenoid biosynthetic genes from the terpenoid-producing actinomycetes. Based on this hypothesis, in order to clone a naphterpin biosynthetic genes cluster, the flanking regions of the mevalonate pathway genes cluster which was cloned from CL190 were sequenced. 
     To understand the biosynthetic pathway of this mixed terpene/polyketide derived natural product, the gene cluster responsible for naphterpin production was identified based upon proximity to genes encoding the MVA pathway biosynthetic enzymes. An upstream region of the gene cluster containing the MVA pathway genes revealed three new open reading frames or orfs designated orf1, orf2, and orf3. The comparative analysis of these orfs with genes encoding functionally characterized proteins is summarized in Table 2. PSI-BLAST searches revealed homologies between Orf2 and three other bacterial proteins: a protein from  Streptomyces coelicolor  A3(2) (HypSc, accession number AL939130) and the previously described 4-hydroxyphenylpyruvate:dimethylallyl transferase genes, cloQ (accession number AF329398) and novQ (accession number AF170880), from  Streptomyces roseochromogenes  and  Streptomyces spheroides  NCIMB 11891, respectively ( FIG. 1B ). 
     To further understand the function of the genes referred to above, a mutant  Streptomyces  sp. (strain CL190) was prepared by disrupting the Orf2 gene. This mutant exhibited no naphterpin production. The high degree of homology between Orf2 and the functionally characterized prenyltransferases CloQ/NovQ (Pojer et al., Proc Natl Acad Sci USA 100:2316-2321 (2003)) ( FIG. 1B ), and the fact that Orf3 encodes a type III polyketide synthase with amino acid similarity to THNS, establishes that orf2 encodes a prenyltransferase involved in geranyl group transfer to THN or a THN derivative produced through the action of orf3 (and possibly other tailoring enzymes). 
     When expressed in  E. coli , Orf2 is as a 33 kDa soluble, monomeric protein having 307 residues. To assess enzyme activity, the purified recombinant Orf2 protein was incubated with one of the following prenyl (geranyl) donors, i.e., dimethylallyl diphosphate (DMAPP, C5), geranyl diphosphate (GPP, C10) or farnesyl diphosphate (FPP, C15) along with several possible substrates (i.e., prenyl acceptors) possessing one or more aromatic groups. A variety of THN analogues (e.g., 1,3-dihydroxynaphthalene (1,3-DHN), 1,6-DHN, 2,7-DHN, and flaviolin) are observed to function as substrates for Orf2, i.e., are converted by Orf2 into prenylated derivatives thereof (see  FIGS. 2A and 2B ). The 4-hydroxyphenylpyruvate (4-HPP) substrate of CloQ/NovQ (Pojer et al, supra) was also converted by Orf2 into a prenylated derivative thereof. In contrast, the related molecules, phenylalanine or tyrosine, did not serve as substrates (see  FIG. 2B ). No activity was observed with DMAPP, the highest relative activity was observed with GPP, and weak activity was observed with FPP. In summary, Orf2 recognizes a variety of substrates. 
     Moreover, significant Mg 2+  dependent, in vitro activity is observed with the dihydroxy containing THN analogs ( FIGS. 2A and 2B ). Thus, two prenylated products, 1,6-DHN-P1 and 1,6-DHN-P2, were readily detected by thin layer chromatography when Orf2 was incubated with 1,6-DHN and GPP (TLC,  FIGS. 2A and 2B ). Large scale incubations with GPP and 1,6-DHN produced a sufficient amount of both products (in an approximate ratio of 10:1) to permit their structure elucidation by both MS and  1 H NMR analyses: these compounds, trans-5-geranyl 1,6-DHN and trans-2-geranyl 1,6-DHN, are believed to be novel natural products (see  FIG. 2A ). 
     Orf2&#39;s potential to serve as a template for the diversification of novel aromatic natural products was demonstrated by assaying the ability of Orf2 to interact with various flavonoids, isoflavonoids and related compounds (e.g., resveratrol; see  FIG. 2B ). While Orf2 showed prenyltransferase activity in the presence of daidzein (7,4′-dihydroxyisoflavanone), formononetin (7-hydroxy, 4′-methoxyisoflavanone), genistein (5,7,4′-trihydroxyisoflavone), and resveratrol (3,4′,5-trihydroxystilbene), little or no activity was observed in the same test conditions with fisetin (3,3′,4′,7-tetrahydroxyflavone). In the presence of naringenin (5,7,4′-trihydroxyflavanone) and GPP, two reaction products, 6-geranyl naringenin, and 7-O-geranyl naringenin, were identified (by both MS and  1 H NMR analyses; see  FIG. 2B ). 6-geranyl naringenin (also known as bonannione A; see Bruno, Heterocycles 23(5):1147-1153 (1985)), is a prenylated flavanone displaying significant antibacterial activity (Schutz, Phytochemistry 40:1273-1277 (1995)). 7-O-geranyl naringenin, which harbors a prenyl unit in the form of an ether moiety, which is only occasionally found in isoflavones, is a novel prenylated flavonoid. 
     Only a trace component in hops, 6-geranyl naringenin is formed by the isomerization (cyclization) of the more abundant hop flavonoid, 2%4′,6′,4-tetrahydroxy-3′-geranylchalcone. Interestingly, the antifungal activity of various yellow lupin constituents has been reported, using  Cladosporium herbarum  as the test fungus. It was found that for isoflavones, the 6-prenyl and 3′-prenyl compounds were more fungitoxic than the 8-prenyl analogues and that transformation of the prenyl group to a cyclized derivative greatly reduced or eliminated the fungitoxic effects. 
     Orf2 was also active in the presence of both olivetol and olivetolic acid (see  FIG. 2B ). These compounds are intermediates in the biosynthesis of the therapeutic plant derived polyketide-terpene natural product Δ 9 -tetrahydrocannabinol (Δ 9 -THC). Δ 9 -THC is the primary psychoactive component found in  Cannabis  sativa. A synthetic analogue thereof, i.e., dronabinol, is currently used to alleviate nausea/vomiting and to stimulate appetite in order to counter weight loss in cancer and AIDS patients. The primary psychoactive component in  cannabis, Δ   9 -THC affects the brain mainly by activating two specific cannabinoid receptors (CB1 and CB2). These receptors also bind to ‘endogenous’ cannabinoids, which are produced naturally by the human body. Recent studies of the cannabinoid signaling system shows its involvement in an ever-increasing number of pathological conditions. As the geranyl prenyltransferase activity involved in Δ 9 -THC biosynthesis in  Cannabis sativa  has until now only been detected in cell extracts, it was decided to test Orf2&#39;s activity in the presence of both olivetol and olivetolic acid, two supposed intermediates of Δ 9 -THC biosynthesis: Orf2&#39;s reaction products were detected on TLC with both Δ 9 -THC precursors, differing from the  C. sativa  endogenous enzyme for which activity was only observed in the presence of olivetolate molecule. These results are very promising for the opening of new therapeutic avenues based on the ability to modulate the endocannabinoid system. 
     Thus, in accordance with the present invention, there are provided aromatic prenyltransferases having a beta/alpha barrel structure. 
     As used herein, the phrase “beta/alpha barrel structure” refers to a closed β-sheet comprising antiparallel β-strands arranged around a central β-barrel core, itself surrounded by a ring of α-helices forming the outer, solvent exposed surface of the beta/alpha barrel, as described in greater detail herein. Thus, aromatic prenyltransferases are seen to have the unique beta/alpha barrel secondary structure. 
     This protein is the first identified and structurally characterized enzyme involved in a mixed polyketide-isoprenoid biosynthetic pathway, namely naphterpin biosynthesis. While this protein family has been identified and characterized from  Streptomyces  bacteria, numerous prenylated aromatic natural products are found in plants. For example, the therapeutically important natural product, tetrahydrocannabinol (THC) is a mixed polyketide-isoprenoid. Biosynthetic logic would dictate that plants are likely to contain enzymes similar in structure and function to Orf2, but such enzymes have thus far not been identified. Given this likelihood, Orf2/CloQ/NovQ/HypSc are believed to be the first identified members of a widespread and catalytically interesting family of enzymes. 
     Exemplary aromatic prenyltransferases according to the present invention have the amino acid sequence set forth in SEQ ID NO:2, or conservative variations thereof, provided that the variant polypeptide retains prenyltransferase activity. As used herein, “conservative variations” refer to the replacement of an amino acid residue by another, biologically similar residue. Examples of conservative variations include the substitution of one hydrophobic residue such as isoleucine, valine, leucine or methionine for another; or the substitution of one polar residue for another, such as the substitution of arginine for lysine, glutamic for aspartic acids, or glutamine for asparagine, and the like. Other illustrative examples of conservative substitutions include the changes of: alanine to serine; arginine to lysine; asparagine to glutamine or histidine; aspartate to glutamate; cysteine to serine; glutamine to asparagine; glutamate to aspartate; glycine to proline; histidine to asparagine or glutamine; isoleucine to leucine or valine; leucine to valine or isoleucine; lysine to arginine, glutamine, or glutamate; methionine to leucine or isoleucine; phenylalanine to tyrosine, leucine or methionine; serine to threonine; threonine to serine; tryptophan to tyrosine; tyrosine to tryptophan or phenylalanine; valine to isoleucine or leucine, and the like. The term “conservative variation” also includes the use of a substituted amino acid in place of an unsubstituted amino acid. 
     Modifications and substitutions contemplated herein are not limited to replacement of amino acids. For a variety of purposes, such as increased stability, solubility, or configuration concerns, one skilled in the art will recognize the need to introduce other modifications (e.g., by deletion, replacement, or addition). Examples of such other modifications include incorporation of rare amino acids, dextra-amino acids, glycosylation sites, cytosine for specific disulfide bridge formation. The modified peptides can be chemically synthesized, or the isolated gene can be site-directed mutagenized, or a synthetic gene can be synthesized and expressed in bacteria, yeast, baculovirus, tissue culture, and the like. 
     Aromatic prenyltransferases having sequence substantially identical to the amino acid sequence set forth in SEQ ID NO:2 are also contemplated herein. By “substantially identical” is meant a polypeptide or nucleic acid exhibiting at least 50%, preferably 60%, more preferably 70%, more preferably 80%, more preferably 85%, more preferably 90%, and most preferably 95% homology to a reference amino acid or nucleic acid sequence, provided that the “substantially identical” polypeptide retains prenyltransferase activity. 
     Alternatively, aromatic prenyltransferases according to the present invention have at least 80% sequence identity with the amino acid sequence set forth in SEQ ID NO:2 Sequence homology and identity are often measured using sequence analysis software (e.g., Sequence Analysis Software Package of the Genetics Computer Group, University of Wisconsin Biotechnology Center, 1710 University Avenue, Madison, Wis. 53705). The term “identity” in the context of two or more nucleic acids or polypeptide sequences, refers to two or more sequences or subsequences that are the same or have a specified percentage of amino acid residues or nucleotides that are the same when compared and aligned for maximum correspondence over a comparison window or designated region as measured using any number of sequence comparison algorithms or by manual alignment and visual inspection. The term “homology” in the context of two or more nucleic acids or polypeptide sequences, refers to two or more sequences or subsequences that are homologous or have a specified percentage of amino acid residues or nucleotides that are homologous when compared and aligned for maximum correspondence over a comparison window or designated region as measured using any number of sequence comparison algorithms or by manual alignment and visual inspection. Programs as mentioned above allow for substitution of an amino acid with a similar amino acid by determining a degree of homology between the sequences being compared. 
     For sequence comparison, typically one sequence acts as a reference sequence, to which test sequences are compared. When using a sequence comparison algorithm, test and reference sequences are entered into a computer, subsequence coordinates are designated, if necessary, and sequence algorithm program parameters are designated. Default program parameters can be used, or alternative parameters can be designated. The sequence comparison algorithm then calculates the percent sequence identities for the test sequences relative to the reference sequence, based on the program parameters. 
     A “comparison window”, as used herein, includes reference to a segment (typically having from about 20 up to about 600 contiguous residues) in which a sequence may be compared to a reference sequence of the same number of contiguous residues after the two sequences are optimally aligned. Methods of alignment of sequence for comparison are well known in the art. Optimal alignment of sequences for comparison can be conducted, e.g., by the local homology algorithm of Smith &amp; Waterman,  Adv. Appl. Math.  2:482 (1981), by the homology alignment algorithm of Needleman &amp; Wunsch,  J. Mol. Biol.  48:443 (1970), by the search for similarity method of Person &amp; Lipman,  Proc. Natl. Acad. Sci. USA  85:2444 (1988), by computerized implementations of these algorithms (GAP, BESTFIT, FASTA, and TFASTA in the Wisconsin Genetics Software Package, Genetics Computer Group, 575 Science Dr., Madison, Wis.), or by manual alignment and visual inspection. Other algorithms for determining homology or identity include, for example, in addition to a BLAST program (Basic Local Alignment Search Tool at the National Center for Biological Information), ALIGN, AMAS (Analysis of Multiply Aligned Sequences), AMPS (Protein Multiple Sequence Alignment), ASSET (Aligned Segment Statistical Evaluation Tool), BANDS, BESTSCOR, BIOSCAN (Biological Sequence Comparative Analysis Node), BLIMPS (BLocks IMProved Searcher), FASTA, Intervals &amp; Points, BMB, CLUSTAL V, CLUSTAL W, CONSENSUS, LCONSENSUS, WCONSENSUS, Smith-Waterman algorithm, DARWIN, Las Vegas algorithm, FNAT (Forced Nucleotide Alignment Tool), Framealign, Framesearch, DYNAMIC, FILTER, FSAP (Fristensky Sequence Analysis Package), GAP (Global Alignment Program), GENAL, GIBBS, GenQuest, ISSC (Sensitive Sequence Comparison), LALIGN (Local Sequence Alignment), LCP (Local Content Program), MACAW (Multiple Alignment Construction &amp; Analysis Workbench), MAP (Multiple Alignment Program), MBLKP, MBLKN, PIMA (Pattern-Induced Multi-sequence Alignment), SAGA (Sequence Alignment by Genetic Algorithm) and WHAT-IF. Such alignment programs can also be used to screen genome databases to identify polynucleotide sequences having substantially identical sequences. A number of genome databases are available, for example, a substantial portion of the human genome is available as part of the Human Genome Sequencing Project (J. Roach, accessible on the world wide web (www) at the URL “weber.u.Washington.edu/˜roach/human_genome_progress2.html”) (Gibbs, 1995). Several databases containing genomic information annotated with some functional information are maintained by different organization, and are accessible via the internet on the world wide web (www), for example, at the URL “tigr.org/tdb”; “genetics.wisc.edu”; “genome-www.stanford.edu/˜ball”; “hiv-weblanl.gov”; “ncbi.nlm.nih.gov”; “ebi.ac.uk”; “Pasteur.fr/other/biology”; and “genome.wi.mit.edu”. 
     One example of a useful algorithm is BLAST and BLAST 2.0 algorithms, which are described in Altschul et al.,  Nucl. Acids Res.  25:3389-3402 (1977), and Altschul et al.,  J. Mol. Biol.  215:403-410 (1990), respectively. Software for performing BLAST analyses is publicly available through the National Center for Biotechnology Information on the world wide web (www) at the URL “ncbi.nlm.nih.gov”. This algorithm involves first identifying high scoring sequence pairs (HSPs) by identifying short words of length W in the query sequence, which either match or satisfy some positive-valued threshold score T when aligned with a word of the same length in a database sequence. T is referred to as the neighborhood word score threshold (Altschul et al., supra). These initial neighborhood word hits act as seeds for initiating searches to find longer HSPs containing them. The word hits are extended in both directions along each sequence for as far as the cumulative alignment score can be increased. Cumulative scores are calculated using, for nucleotide sequences, the parameters M (reward score for a pair of matching residues; always &gt;0). For amino acid sequences, a scoring matrix is used to calculate the cumulative score. Extension of the word hits in each direction are halted when: the cumulative alignment score falls off by the quantity X from its maximum achieved value; the cumulative score goes to zero or below, due to the accumulation of one or more negative-scoring residue alignments; or the end of either sequence is reached. The BLAST algorithm parameters W, T, and X determine the sensitivity and speed of the alignment. The BLASTN program (for nucleotide sequences) uses as defaults a wordlength (W) of 11, an expectation (E) of 10, M=5, N=−4 and a comparison of both strands. For amino acid sequences, the BLASTP program uses as defaults a wordlength of 3, and expectations (E) of 10, and the BLOSUM62 scoring matrix (see Henikoff &amp; Henikoff,  Proc. Natl. Acad. Sci. USA  89:10915 (1989)) alignments (B) of 50, expectation (E) of 10, M=5, N=−4, and a comparison of both strands. 
     The BLAST algorithm also performs a statistical analysis of the similarity between two sequences (see, e.g., Karlin &amp; Altschul,  Proc. Natl. Acad. Sci. USA  90:5873 (1993)). One measure of similarity provided by BLAST algorithm is the smallest sum probability (P(N)), which provides an indication of the probability by which a match between two nucleotide or amino acid sequences would occur by chance. For example, a nucleic acid is considered similar to a references sequence if the smallest sum probability in a comparison of the test nucleic acid to the reference nucleic acid is less than about 0.2, more preferably less than about 0.01, and most preferably less than about 0.001. 
     In one embodiment, protein and nucleic acid sequence homologies are evaluated using the Basic Local Alignment Search Tool (“BLAST”) In particular, five specific BLAST programs are used to perform the following task:
         (1) BLASTP and BLAST3 compare an amino acid query sequence against a protein sequence database;   (2) BLASTN compares a nucleotide query sequence against a nucleotide sequence database;   (3) BLASTX compares the six-frame conceptual translation products of a query nucleotide sequence (both strands) against a protein sequence database;   (4) TBLASTN compares a query protein sequence against a nucleotide sequence database translated in all six reading frames (both strands); and   (5) TBLASTX compares the six-frame translations of a nucleotide query sequence against the six-frame translations of a nucleotide sequence database.       

     The BLAST programs identify homologous sequences by identifying similar segments, which are referred to herein as “high-scoring segment pairs,” between a query amino or nucleic acid sequence and a test sequence which is preferably obtained from a protein or nucleic acid sequence database. High-scoring segment pairs are preferably identified (i.e., aligned) by means of a scoring matrix, many of which are known in the art. Preferably, the scoring matrix used is the BLOSUM62 matrix (Gonnet et al., Science 256:1443-1445 (1992); Henikoff and Henikoff, Proteins 17:49-61 (1993)). Less preferably, the PAM or PAM250 matrices may also be used (see, e.g., Schwartz and Dayhoff, eds.,  Matrices for Detecting Distance Relationships: Atlas of Protein Sequence and Structure , Washington: National Biomedical Research Foundation (1978)). BLAST programs are accessible through the U.S. National Library of Medicine, e.g., accessible on the world wide web (www) at ncbi.nlm.nih.gov. 
     The parameters used with the above algorithms may be adapted depending on the sequence length and degree of homology studied. In some embodiments, the parameters may be the default parameters used by the algorithms in the absence of instructions from the user. 
     In accordance with another aspect of the present invention, there are provided nucleic acids encoding any of the above-described prenyltransferases, including all variations embraced by the degeneracy of the genetic code. Exemplary nucleic acids according to the present invention include nucleic acids which specifically hybridize to the nucleotide sequence set forth in SEQ ID NO:1 (or the complement thereof) under stringent hybridization conditions, wherein said nucleic acid encodes an aromatic prenyltransferase. 
     Hybridization methods are well known to those skilled in the art of molecular biology. “Specifically hybridizable” and “specifically complementary” are terms that indicate a sufficient degree of complementarity such that stable and specific binding occurs between a first nucleic acid and a DNA or RNA target. The first nucleic acid need not be 100% complementary to its target sequence to be specifically hybridizable. A first nucleic acid is specifically hybridizable when there is a sufficient degree of complementarity to avoid non-specific binding of the first nucleic acid to non-target sequences under conditions where specific binding is desired. Such binding is referred to as specific hybridization. 
     An alternative indication that two nucleic acid molecules are closely related is that the two molecules hybridize to each other. In certain embodiments, orf2 nucleic acid variants hybridize to a disclosed orf2 nucleic acid sequence (or fragments thereof), for example, under low stringency, moderate stringency, or high stringency conditions. Hybridization conditions resulting in particular degrees of stringency will vary depending upon the nature of the hybridization method of choice and the composition and length of the hybridizing nucleic acid sequences. Generally, the temperature of hybridization and the ionic strength (for example, the Na +  concentration) of the hybridization buffer will determine the stringency of hybridization, although wash times also influence stringency. Calculations regarding hybridization conditions required for attaining particular degrees of stringency are discussed by Sambrook et al. (ed.),  Molecular Cloning: A Laboratory Manual,  2nd ed., vol. 1-3, Cold Spring Harbor Laboratory Press, Cold Spring Harbor, N.Y., 1989, chapters 9 and 11. 
     The following exemplary sets of hybridization conditions are not meant to be limiting. High stringency conditions include hybridization in 5×SSC at 65° C. for 16 hours, two washes in 2×SSC at room temperature (RT) for 15 minutes each and two washes in 0.5×SSC at 65° C. for 20 minutes each. Moderate stringency conditions include hybridization in 5×-6×SSC at 65° C.-70° C. for 16-20 hours, two washes in 2×SSC at RT for 5-20 minutes each and two washes in 1×SSC at 55° C.-70° C. for 30 minutes each. Low stringency conditions include hybridization in 6×SSC at RT to 55° C. for 16-20 hours and two washes in 2×-3×SSC at RT to 55° C. for 20-30 minutes each. 
     Alternatively, nucleic acids according to the present invention include nucleic acids having at least 80% sequence identity with the nucleotide sequence set forth in SEQ ID NO:1, wherein said nucleic acid encodes an aromatic prenyltransferase. 
     To investigate the structural features accompanying prenyl chain length determination, aromatic substrate selectivity and the mechanism of prenyl group transfer, X-ray crystal structures of four Orf2 substrate/substrate analogue complexes were determined, namely Orf2 complexed with a TAPS buffer molecule, a binary Orf2 complex containing GPP and Mg 2+ , a ternary Orf2 complex with a non-hydrolyzable GPP analogue (GSPP), Mg 2+  and 1,6-DHN, and a ternary Orf2 complex with GSPP, Mg 2+  and flaviolin (results are summarized in Table 3). 
     The three dimensional structure of Orf2 consists of a single domain that forms a novel barrel type of structure ( FIG. 3 ). This new barrel, here termed a β/α-barrel, is a closed β-sheet comprising sufficient antiparallel β-strands to form a central β-barrel core (typically in the range of about 6 up to 12 β-strands), with the central β-barrel core surrounded by a ring of α-helices forming the outer, solvent exposed surface of the barrel ( FIG. 3B ). In the specific example when a β/α-barrel structure comprises 10 β-strands, the secondary connectivity nearly conforms to a (ααββ) 5  classification, but is more specifically described using the (ααββ) 4 -(αββ)-α nomenclature, where helices 6 and 8, both involved in inter-protein contacts in the crystal lattice, display a helical “kink”. 
     The most hydrophobic section of the β/α-barrel is the region residing between the outer surface of the cylindrical β-barrel and the belt of surrounding α-helices. Additionally, a number of hydrophobic residues located inside the barrel accommodate the prenyl tail of the GPP and GSPP molecules, while the diphosphate or the thio-diphosphate head groups of substrate and substrate analogs, respectively, point toward the “upper”, more polar end of the barrel where a Mg 2+  ion is coordinated. Typically, the bottom of the barrel is capped by a short C-terminal helix. In the specific example when a β/α-barrel structure comprises 10 β-strands, the C-terminal helix would be α 11 . 
     Structurally related proteins belonging to either the TIM barrel or the β-barrel structural families, both of which display barrel folds with connectivity patterns that are distinctively different from the β/α-barrel are illustrated herein (see  FIG. 3 ). TIM barrel proteins (ie. the aldo-keto reductase family represented by pdb entry code 2ACQ) consist of a repeated β-strand-loop-α-helix-loop motif, most often containing eight repeats, with the parallel β-strands forming the interior of an open barrel, and the helices forming the outer belt of the complete protein (Gerlt and Raushel, Curr Opin Chem Biol 7(2):252-64 (2003)) ( FIG. 3A ). 
     β-barrel proteins including human fatty acid-binding proteins (FABP, pdb entry code 1HMT), consist of ten anti-parallel β-strands arranged as an elliptical barrel capped at the bottom by two short α-helices (Sacchettini et al., J Mol Biol 208(2):327-39 (1989); Xu et al., J Mol Biol 268(11):7874-84 (1993) ( FIG. 3D ). 
     Another class of protein displaying an elliptical β-barrel surrounded by helices is the dimeric ferredoxin-like α+β sandwich fold: the ActVA-Orf6 monooxygenase (pdb entry code 1 LQ9) from  S. coelicolor  A3 belongs to the latter class, and is a small enzyme that oxidizes a relatively large three ringed aromatic substrate at two active sites located between β-sheets and α-helices ( FIG. 3C ). 
     α/β-barrels have been defined as large structures (at least 200 amino acids), predominantly composed of alternating α-helices and β-strands, with parallel β-strands forming a “hub” surrounded by a “tire” of α-helices (see Branden and Tooze,  Introduction to protein structure . Second edn. (1999), New York: Garland), while α+β class encompasses proteins with mainly antiparallel β-sheets but with segregated α-helical and β-sheet regions. In this regard, it is proposed that the α/β class definition, including protein domains exclusively composed of parallel β-strands, connected by α-helices, should be enlarged to include Orf2&#39;s novel architecture, the β/α-barrel. The β/α-barrel would introduce a novel β/α-barrel category comprising antiparallel β-strands connected and surrounded by, α-helices as a subcategory of the α/β-class, but distinct from the α/β-barrel subcategory. 
     Interestingly, a last type of barrel, an α-α barrel domain, can be found in the β-subunit of the heterodimeric human protein farnesyltransferase, which catalyzes the carboxyl-terminal prenylation of Ras and several other signaling proteins (Park et al., Science 275(5307):1800-4 (1997) ( FIG. 3D ). This domain displays a very different overall fold but presents a similar aromatic rich substrate binding pocket and active site topology as described herein for Orf2 (Park et al., supra; Long et al., Nature 419(6907):645-50 (2002)). 
     It seems, indeed, that isoprenyl diphosphate synthases, protein prenyltransferases, and prenyltransferases (PTases), all involved in the binding of prenyl compounds, use a similar strategy regarding the active site environment. In most cases, prenyl chain bonding occurs within a large hydrophobic tunnel with highly conserved residues. Structures of the trans-type farnesyl diphosphate synthase display two identical subunits associated as a homodimer, forming a four layer helix-bundle; eight of these helices are assembled in a domain similarly to the α-α domain previously described for the protein prenyl transferase. The structures of the cis-type dimeric enzymes, undecaprenyl pyrophosphate synthase (UPPS) from  E. coli  and  M. luteus , reveal two hydrophobic tunnels each surrounded by two α-helices and four β-strands. Both UPPS enzymes require Mg 2+  for activity even though both lack the classical prenyl diphosphate Mg 2+  binding motif (i.e., the (N/D)DXXD motif) found in most other trans-prenyltransferases and terpene synthases. The structures of terpenoid cyclases such as pentalene synthase, 5-epi-aristolochene synthase and trichodiene synthase harbor the similar structural feature referred to as “terpenoid synthase fold” with 10-12 mostly anti-parallel α-helices, as also observed in isoprenyl pyrophosphate synthases and protein prenyltransferases (see Liang, Eur J Biochem 269(14):3339-54 (2002)). All of the above cited structures differ greatly from the β/α-barrel fold described herein. 
     While a bound TAPS molecule in the first Orf2 structure tentatively indicated the approximate location of the diphosphate binding site near Asp 62 ( FIG. 4A ), structures complexed with GPP or a non-hydrolyzable analogue, GSPP, precisely define the residues involved in recognition and binding of the complete GPP substrate ( FIGS. 4B and 4C ). Lys 119, Asn 173 and Arg 228, located near the polar open end of the barrel, are hydrogen bonded to the terminal β-phosphate of the GSPP molecule ( FIG. 4C ). The α-phosphate linked to the geranyl chain hydrogen bonds with Tyr 216 and Lys 284, and also coordinates a Mg 2+  ion. The complete coordination geometry of this Mg 2+  ion exhibits perfect octahedral symmetry, with four equatorially arranged water molecules and two axially located oxygen atoms contributed by the side chain carboxylate of Asp 62 and an α-phosphate non-bridging oxygen of the GSPP molecule ( FIGS. 4B and 4C ). Despite the absence of a (N/D)DXXD motif, a second well conserved residue, Asp 110, proximal to Asp 62 in the tertiary structure, indirectly coordinates the Mg 2+  ion via one of the four equatorially arranged water molecules. Tyr 121 resides within hydrogen bonding distance of the bridging atom (sulfur in GSPP and oxygen in GPP) linking the diphosphate moiety to the C10 geranyl chain. Finally, the hydrophobic geranyl chain of the GPP or GSPP molecules rest against the side chains of Val 49, Phe 123, Met 162, Tyr 175 and Tyr 216 ( FIG. 4C ). 
     The ternary complexes with Mg 2+ , GSPP and either 1,6-DHN or flaviolin delineate the chemical nature of the aromatic substrate binding site ( FIGS. 4A ,  4 B and  4 C). 1,6-DHN rests against the GSPP prenyl tail and is sequestered between the side chains of Met 162 and Phe 213. The Gln 295 and Leu 298 side chains provided by the short C-terminal helix line the wall of the substrate binding pocket with additional contacts made through the side chains of Phe 213, Ser 214 and Tyr 288. Flaviolin binds in a slightly different position than 1,6-DHN with extra pairs of hydrogen bonds formed with Ser 214, Tyr 288 and Gln 295, while the aromatic planes of both 1,6-DHN and flaviolin reside in the same active site orientation ( FIG. 4A ). 
     While not wishing to be bound by any theory, the structures of the substrates and products are consistent with an electrophilic aromatic substitution for the alkylation. Theoretically, two catalytic mechanisms can be considered for prenylation of aromatic substrates. One invokes a carbon mediated nucleophilic attack on the C1 carbon of GPP with the diphosphate moiety serving as a leaving group stabilized by Mg 2+  coordination and the basic character of the diphosphate binding site. This Sn2-like mechanism has been described for protein farnesyltransferase (Park et al., supra; Long et al., supra). A second mechanism is reminiscent of terpene synthases involved in allylic diphosphate biosynthesis and prenyl group cyclization and invokes carbocation mediated electrophilic capture as proposed for the trans-prenyltransferase reaction of FPP synthase (Tarshis et al., Biochemistry 33(36):10871-7 (1994)) and numerous terpene synthases (cyclases) of secondary metabolism (Cane, in  Comprehensive Naturals Products Chemistry. Isoprenoids , D. E. Cane, Editor, 1998, Elsevier Science: Oxford, UK). 
     The distance between the C5 atom of 1,6-DHN, which is the identified site for prenylation, or the C3 atom of flaviolin, and the C1 atom of GSPP are 4 Å and 7 Å, respectively. Notably, these distances are similar to the 7.3 Å separation recently described in human protein farnesyltransferase between the C1 atom of a bound farnesyl diphosphate (FPP) molecule and a Cys residue on a peptide substrate (Long, 2002 supra). Even though an Sn2-like mechanism has been proposed for prenyltransferases, these distances, combined with the structures of substrates and products, and the apparent requirement for a conformational change of the cleaved prenyl chain are consistent with an electrophilic aromatic substitution mechanism for Orf2-mediated alkylation of aromatic substrates (see  FIG. 5 ). 
     A model for the overall reaction catalyzed by Orf2 with 1,6-DHN serving as the prenyl accepting group is depicted in  FIG. 5 . Firstly, a carbocation intermediate is proposed to result from the ionization of the diphosphate moiety, triggered by Mg 2+  coordination, electrostatic hydrogen bonds with Lys 119, Arg 228, Asn 173 and Lys 284, and co-substrate binding. The positively charged C1 atom of the geranyl carbocation rotates toward the target double bond located 7 Å away on the prenyl acceptor (as previously described for human protein farnesyltransferase; see also Long, 2002, supra). A “tyrosine belt” including Tyr 121, Tyr 175 and Tyr 216, surrounding the 10 carbons of GPP, and similar to the one observed in the human protein farnesyltransferase (Park et al., supra; Long et al., Biochemistry 37(27):9612-8 (1998), may help stabilize and position the carbocationic intermediates via cation-π interactions (Wise and Croteau, in  Comprehensive Naturals Products Chemistry: Isoprenoids , D. E. Cane, Editor, 1998, Elsevier Science: Oxford, UK). 
     This step involves the attachment of the reactive electrophile to the C5 atom of the 1,6-DHN molecule to form a resonance stabilized carbocation or σ-complex (Olah and Mo, J. Am. Chem. Soc. 94:9241 (1972)) ( FIG. 5 ). Finally, Tyr 216, which interacts with the diphosphate moiety of the GPP molecule, is also hydrogen bonded to a conserved and well ordered network of water molecules linked to the diphosphate moiety and located just above the co-substrate binding location. One of these water molecules, highlighted in  FIG. 5 , is ideally positioned to abstract an acidic proton from the prenylated C5 atom of the cationic σ-complex allowing for the restoration of the neutral aromatic now containing a covalently tethered geranyl chain. 
     To confirm the enzymatic importance of certain active site residues, preliminary mutational studies of Orf2 were carried out, and residual activities were monitored using cell extracts containing mutant enzymes. The D62S and D62N single mutants, as well as D62S/S51R and D62N/S51K double mutants, displayed only residual activity in the presence of GPP (in the presence or absence of Mg 2+ ), while no detectable activity was observed for the D62A single mutant with either GPP or DMAPP as a prenyl donor, indicative of the importance of D62 in catalytic processes. 
     In order to decipher the prenyl diphosphate chain length selectivity, molecular determinants of aromatic substrate recognition and divalent cation dependence, homology modeling of CloQ ( Streptomyces roseochromogenes , accession number AF329398), NovQ ( Streptomyces spheroides  NCIMB 11891, accession number AF170880) and HypSc ( Streptomyces coelicolor  A3(2), accession number AL939130) sequences were carried out using the three dimensional architecture of Orf2 as a structural template ( FIG. 6 ). The large degree of overall sequence similarity between these sequences as well as the considerable degree of active site conservation between Orf2 and CloQ/NovQ/HypSc is indicative of the conservation of the β/α-barrel fold for this family of aromatic prenyltransferases. 
     In the HypSc model, Asp 62 is replaced by an Asn residue and is complemented by the replacement of Ser 52 by an Arg residue. Also, as observed in the CloQ/NovQ model, the presence of a salt bridge between Arg 65 and Glu 278 appears from modeling to prevent the binding of a prenyl donor with an alkyl chain longer than C5 (i.e., C10 or C15). From this modeling analysis, the deduced protein from  Streptomyces coelicolor  would be predicted to show a DMAPP specificity and Mg 2+  independent prenyltransferase activity. 
     In order to validate this model, HypSc was subcloned from genomic DNA, and over-expressed in  E. coli  as an octa-histidine tagged protein and purified for Ni 2+ -chelation chromatography. The purified enzyme was then assayed for prenyltransferase activity using DMAPP and GPP as prenyl donors. Notable prenyltransferase activity was detected when using DMAPP and 1,6-DHN as substrates in the absence of Mg 2+ , consistent with the model based hypothesis set forth herein regarding the chain length selectivity and Mg 2+  independence of invention enzymes. 
     In accordance with yet another aspect of the present invention, there are provided compositions comprising an aromatic prenyltransferase as described herein in crystalline form. Optionally, such compositions further comprise one or more substrates for the aromatic prenyltransferase. As used herein, “substrates” refer to compounds susceptible to the action of invention prenyltransferases, e.g., such reactive aromatic compounds as tetrahydroxynaphthalene, analogs, homologs and metabolites thereof. 
     As used herein, “analogs” refer to compounds which are related to the above-described aromatic substrates and retain a biological activity thereof, but have one or more substitutions and/or modifications thereof relative to the parent compound, e.g., substitution of —O— for —CH 2 —. Alternatively, analogs may have relatively little primary structure similarity, but may still display a biological activity of a substrate as a result of similar secondary and/or tertiary structural features, electronic properties, and the like. 
     As used herein, “homolog” refers to compounds which are related to the above-described aromatic substrates by the presence or absence of a simple unit, such as a methylene unit, or some multiple of such units, e.g., —(CH 2 ) x —. 
     As used herein, “metabolite” refers to compounds which are related to the above-described substrates as a form of such compound obtained in a human or animal body by action of the body on the administered form of the compound, for example a de-methylated analogue of a compound bearing a methyl group which is obtained in the body after administration of the methylated compound as a result of action by the body on the methylated compound. 
     X-ray crystallography can elucidate the three-dimensional structure of crystalline forms according to the invention. Typically, the first characterization of crystalline forms by X-ray crystallography can determine the unit cell shape and its orientation in the crystal. The term “unit cell” refers to the smallest and simplest volume element of a crystal that is completely representative of the unit of pattern of the crystal. The dimensions of the unit cell are defined by six numbers: dimensions a, b and c and angles α, β and γ. A crystal can be viewed as an efficiently packed array of multiple unit cells. Detailed descriptions of crystallographic terms are provided in Hahn, T HE  I NTERNATIONAL  T ABLES FOR  C RYSTALLOGRAPHY , V OLUME  A, 4 th  Ed., Kluwer Academic Publishers (1996); and Shmueli, T HE  I NTERNATIONAL  T ABLES FOR  C RYSTALLOGRAPHY , V OLUME  B, 1 st  Ed., Kluwer Academic Publishers. The term “space group” refers to the symmetry of a unit cell. In a space group designation (e.g., P2) the capital letter indicates the lattice type and the other symbols represent symmetry operations that can be carried out on the unit cell without changing its appearance. 
     The term “selenomethionine substitution” refers to the method of producing a chemically modified form of a protein crystal. The protein is expressed by bacteria in media that is depleted in methionine and supplemented with selenomethionine. Selenium is thereby incorporated into the crystal in place of methionine sulfurs. The location(s) of selenium is(are) determined by X-ray diffraction analysis of the crystal. This information is used to generate the phase information used to construct a three-dimensional structure of the protein. 
     “Heavy atom derivatization” refers to a method of producing a chemically modified form of a protein crystal. In practice, a crystal is soaked in a solution containing heavy atom salts or organometallic compounds, e.g., lead chloride, gold thiomalate, thimerosal, uranyl acetate, and the like, which can diffuse through the crystal and bind to the protein&#39;s surface. Locations of the bound heavy atoms can be determined by X-ray diffraction analysis of the soaked crystal. This information is then used to construct phase information which can then be used to construct three-dimensional structures of the enzyme as described in Blundel and Johnson, P ROTEIN  C RYSTALLOGRAPHY , Academic Press (1976), which is incorporated by reference herein. 
     The knowledge obtained from X-ray diffraction patterns can be used in the determination of the three-dimensional structure of the binding sites of other homologous polypeptides. This is achieved through the use of commercially available software known in the art that is capable of generating three-dimensional graphical representations of molecules or portions thereof from a set of structure coordinates. The binding domain can also be predicted by various computer models. Based on the structural X-ray coordinates of the solved structure, mutations and variants of the solved structure can also be designed. 
     An exemplary isolated aromatic prenyltransferase according to the present invention has been further characterized by the structural coordinates set forth in Appendix 1. 
     In accordance with still another aspect of the present invention, there are provided methods of predicting the activity and/or substrate specificity of a putative aromatic prenyltransferase, the methods comprising: 
     comparing a three-dimensional representation of a known aromatic prenyltransferase and a three-dimensional representation of a putative aromatic prenyltransferase, wherein differences between the two representations are predictive of aromatic prenyltransferase activity and/or substrate specificity. 
     In accordance with yet another aspect of the present invention, there are provided methods of screening for compounds which bind aromatic prenyltransferase(s), said methods comprising: 
     modeling a potential binding agent that interacts with one or more domains of an aromatic prenyltransferase or fragment thereof, defined by a plurality of atomic coordinates of the aromatic prenyltransferase or fragment thereof; and 
     determining the ability of said potential binding agent to compete with said aromatic prenyltransferase substrate for binding to said aromatic prenyltransferase. 
     As used herein, “molecular replacement” refers to generating a preliminary model of a polypeptide whose structure coordinates are unknown, by orienting and positioning a molecule whose structure coordinates are known within the unit cell of the unknown crystal so as to best account for the observed diffraction pattern of the unknown crystal. Phases can then be calculated from this model and combined with the observed amplitudes to give an approximate Fourier synthesis of the structure whose coordinates are unknown. This in turn can be subject to any of the several forms of refinement to provide a final, accurate structure of the unknown crystal (Lattman,  Meth. Enzymol.  115:55-77 (1985); Rossmann, M G., ed., T HE  M OLECULAR  R EPLACEMENT  M ETHOD  (1972), Int. Sci. Rev. Ser. No. 13, Gordon &amp; Breach, New York). Using structure coordinates of the aromatic prenyltransferase provided herein, molecular replacement may be used to determine the structure coordinates of a crystalline mutant, homologue, or a different crystal form of an aromatic prenyltransferase. 
     In accordance with this invention, an aromatic prenyltransferase, or a portion thereof, may be crystallized in association or complex with any known or putative substrate and/or binding agent. The crystal structures of a series of such complexes may then be solved by molecular replacement and compared with that of a native aromatic prenyltransferase molecule. Potential sites for modification within the aromatic prenyltransferase molecule or a corresponding substrate and/or binding agent therefor may thus be identified based on the points of interaction between the aromatic prenyltransferase and substrate and/or binding agent therefor. This information provides an additional tool for determining the most efficient binding interactions, for example, increased hydrophobic interactions, between an aromatic prenyltransferase and a putative chemical entity or compound, even before any synthesis or modifications are performed. 
     All of the complexes referred to above may be studied using well-known X-ray diffraction techniques as described herein, and may be refined versus 2-3 Å resolution X-ray data to an R value of about 0.20 or less using computer software, such as X-PLOR (Yale University, 1992, distributed by Molecular Simulations, Inc.). See, e.g., Blundel &amp; Johnson, supra; Methods in Enzymology, vol. 114 and 115, H. W. Wyckoff et al., eds., Academic Press (1985). This information may thus be used to optimize known classes of aromatic prenyltransferase substrate and/or binding agent therefor, such as natural THN, and to design, modify and/or synthesize novel classes of aromatic prenyltransferase substrate and/or binding agents. 
     The modeling or design of substrates and/or binding agents for aromatic prenyltransferases, i.e., compounds that bind to and/or modulate an aromatic prenyltransferase polypeptide according to the invention generally involves consideration of two factors. First, the compound or molecule must be capable of physically and structurally associating with an aromatic prenyltransferase molecule. Non-covalent molecular interactions important in the association of an aromatic prenyltransferase with a putative substrate and/or binding agent include hydrogen bonding, van der Waals and hydrophobic interactions, and the like. 
     Second, the compound or molecule must be able to assume a conformation that allows it to associate with an aromatic prenyltransferase molecule. Although certain portions of the compound or molecule will not directly participate in this association, those portions may still influence the overall conformation of the molecule. This, in turn, may have a significant impact on affinity with the receptor. Such conformational requirements include the overall three-dimensional structure and orientation of the compound or molecule in relation to all or a portion of the binding site, or the spacing between functional groups of a compound or molecule comprising several chemical entities that directly interact with an aromatic prenyltransferase. 
     The term “modeling” as used herein, refers to analysis of the interaction of an aromatic prenyltransferase and a known or test compound or molecule by utilizing a computer generated representation of the molecules, as opposed to physical molecules. 
     The potential binding of a test compound with an aromatic prenyltransferase may be analyzed prior to its actual synthesis and testing by the use of computer modeling techniques. If the theoretical structure of the given compound is indicative of insufficient interaction and association between it and an aromatic prenyltransferase, synthesis and testing of the compound may be obviated. However, if computer modeling indicates a strong interaction, the molecule may then be tested for its ability to bind to an aromatic prenyltransferase. Methods of assaying for aromatic prenyltransferase activity are known in the art (as identified and discussed herein). Methods for assaying the effect of a potential binding agent can be performed in the presence of a known binding agent of an aromatic prenyltransferase. For example, the effect of the potential binding agent can be assayed by measuring the ability of the potential binding agent to compete with a known binding agent. 
     A test compound may be computationally evaluated and designed by means of a series of steps in which chemical entities or fragments are screened and selected for their ability to associate with the individual binding pockets or other areas of an aromatic prenyltransferase associated with a substrate and/or binding agent therefor. 
     One skilled in the art may use one of several methods to predict a molecule capable of binding to an aromatic prenyltransferase and to screen test compounds for their ability to associate with an aromatic prenyltransferase and more particularly with the individual active site (e.g., binding pockets and/or specific points of interaction) of an aromatic prenyltransferase polypeptide. This process may begin by visual inspection of, for example, the binding pocket of an aromatic prenyltransferase on the computer screen based on structure coordinates obtained derived from X-ray diffraction data obtained from crystals of an aromatic prenyltransferase, such as those provided in Appendix 1. Selected fragments or chemical entities may then be positioned in a variety of orientations, or docked, within an individual binding pocket of the aromatic prenyltransferase. Docking may be accomplished using software such as Quanta and Sybyl, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER. 
     Specialized computer programs may also assist in the process of selecting fragments or chemical entities at this stage. These include:
     1. GRID (Goodford, P. J., “A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules”, J. Med. Chem., 28, pp. 849-857 (1985)). GRID is available from Oxford University, Oxford, UK.   2. MCSS (Miranker, A. and M. Karplus, “Functionality Maps of Binding Sites: A Multiple Copy Simultaneous Search Method.” Proteins: Structure. Function and Genetics, 11, pp. 29-34 (1991)). MCSS is available from Molecular Simulations, Burlington, Mass.   3. AUTODOCK (Goodsell, D. S, and A. J. Olsen, “Automated Docking of Substrates to Proteins by Simulated Annealing”, Proteins: Structure. Function, and Genetics, 8, pp. 195-202 (1990)). AUTODOCK is available from Scripps Research Institute, La Jolla, Calif.   4. DOCK (Kuntz, I. D. et al., “A Geometric Approach to Macromolecule-Ligand Interactions”, J. Mol. Biol., 161, pp. 269-288 (1982)). DOCK is available from University of California, San Francisco, Calif.   

     Once suitable chemical entities or fragments have been selected, they can be assembled into a single compound that is a candidate substrate and/or binding agent. Assembly may be performed by visual inspection of the relationship of the fragments to each other on the three-dimensional image displayed on a computer screen in relation to the structure coordinates of the aromatic prenyltransferase molecule as set forth in Appendix 1. This would be followed by manual model building using software such as Quanta or Sybyl. 
     Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include:
     1. CAVEAT (Bartlett, P. A. et al, “CAVEAT: A Program to Facilitate the Structure-Derived Design of Biologically Active Molecules”. In “Molecular Recognition in Chemical and Biological Problems”, Special Pub., Royal Chem. Soc., 78, pp. 182-196 (1989)). CAVEAT is available from the University of California, Berkeley, Calif.   2. 3D Database systems such as MACCS-3D (MDL Information Systems, San Leandro, Calif.). This area is reviewed in Martin, Y. C., “3D Database Searching in Drug Design”, J. Med. Chem., 35, pp. 2145-2154 (1992)).   3. HOOK (available from Molecular Simulations, Burlington, Mass.).   

     In addition to the method of building or identifying a substrate and/or binding agent in a step-wise fashion one fragment or chemical entity at a time as described above, aromatic prenyltransferase substrates and/or binding agents may be designed as a whole or “de novo” using either an empty binding pocket or optionally including some portion(s) of a known substrate(s) and/or binding agent(s). These methods include:
     1. LUDI (Bohm, H.-J., “The Computer Program LUDI: A New Method for the De Novo Design of Enzyme Inhibitors”, J. Comp. Aid. Molec. Design, 6, pp. 61-78 (1992)). LUDI is available from Biosym Technologies, San Diego, Calif.   2. LEGEND (Nishibata, Y. and A. Itai, Tetrahedron, 47, p. 8985 (1991)). LEGEND is available from Molecular Simulations, Burlington, Mass.   3. LeapFrog (available from Tripos Associates, St. Louis, Mo.).   

     Other molecular modeling techniques may also be employed in accordance with this invention. See, e.g., Cohen, N. C. et al., “Molecular Modeling Software and Methods for Medicinal Chemistry”, J. Med. Chem., 33, pp. 883-894 (1990). See also, Navia, M. A. and M. A. Murcko, “The Use of Structural Information in Drug Design”, Current Opinions in Structural Biology, 2, pp. 202-210 (1992). 
     Once a test compound or binding agent has been designed or selected by the above methods, the efficiency with which that compound may bind to an aromatic prenyltransferase may be tested and optimized by computational evaluation. 
     A compound designed or selected as a putative substrate and/or binding agent may be further computationally optimized so that in its bound state it would preferably lack repulsive electrostatic interaction with the target site. Such non-complementary (e.g., electrostatic) interactions include repulsive charge-charge, dipole-dipole and charge-dipole interactions. Specifically, the sum of all electrostatic interactions between the binding agent and an aromatic prenyltransferase when the substrate and/or binding agent is bound to the aromatic prenyltransferase, preferably make a neutral or favorable contribution to the enthalpy of binding. 
     Specific computer software is available in the art to evaluate compound deformation energy and electrostatic interaction. Examples of programs designed for such uses include: Gaussian 92, revision C (M. J. Frisch, Gaussian, Inc., Pittsburgh, Pa., 1992); AMBER, version 4.0 (P. A. Kollman, University of California at San Francisco, 1994); QUANTA/CHARMM (Molecular Simulations, Inc., Burlington, Mass. 1994); and Insight II/Discover (Biosysm Technologies Inc., San Diego, Calif., 1994). These programs may be implemented, for example, using a Silicon Graphics workstation, IRIS 4D/35 or IBM RISC/6000 workstation model 550. Other hardware systems and software packages will be known to those skilled in the art of which the speed and capacity are continually modified. 
     Other molecular modeling techniques may also be employed in accordance with this invention. For exemplary reviews and techniques, see, e.g., Cohen et al., “Molecular Modeling Software and Methods for Medicinal Chemistry, J. Med. Chem., 33, pp. 883-894 (1990); see also, M. A, Navia and M. A. Murcko, “The Use of Structural Information in Drug Design”, Current Opinions in Structural Biology, 2, pp. 202-210 (1992); L. M. Balbes et al., “A Perspective of Modern Methods in Computer-Aided Drug Design”, in Reviews in Computational Chemistry, Vol. 5, K. B. Lipkowitz and D. B. Boyd, Eds., VCH, New York, pp. 337-380 (1994); see also, W. C. Guida, “Software For Structure-Based Drug Design”, Curr. Opin. Struct. Biology, 4, pp. 777-781 (1994)] 
     In accordance with still another aspect of the present invention, there are provided alternate methods of screening for compounds which bind aromatic prenyltransferase(s), said methods comprising: 
     defining an interaction site of an aromatic prenyltransferase based on a plurality of atomic coordinates of said aromatic prenyltransferase; 
     modeling a potential binding agent that fits spatially into said interaction site; 
     contacting said potential binding agent with said aromatic prenyltransferase in the presence of an aromatic prenyltransferase substrate; and 
     determining the ability of said potential binding agent to compete with said aromatic prenyltransferase substrate for binding to said aromatic prenyltransferase. 
     In accordance with a further aspect of the present invention, there are provided additional methods of screening for compounds which bind aromatic prenyltransferase(s), said methods comprising: 
     defining an interaction site of an aromatic prenyltransferase based on a plurality of atomic coordinates of said aromatic prenyltransferase; 
     modeling a potential binding agent that fits spatially into said interaction site; and 
     determining the ability of said potential binding agent to compete with an aromatic prenyltransferase substrate for said interaction site by contacting said potential binding agent with said aromatic prenyltransferase in the presence of said aromatic prenyltransferase substrate, 
     In accordance with a still further aspect of the present invention, there are provided additional methods of screening for compounds which bind aromatic prenyltransferase(s), said methods comprising: 
     modeling a potential binding agent that fits spatially into an interaction site of an aromatic prenyltransferase defined by a plurality of atomic coordinates of said aromatic prenyltransferase; 
     contacting said potential binding agent with said aromatic prenyltransferase in the presence of an aromatic prenyltransferase substrate; and 
     determining the ability of said potential binding agent to compete with said aromatic prenyltransferase substrate for binding to said aromatic prenyltransferase. 
     In accordance with another aspect of the present invention, there are provided additional methods of screening for compounds which bind aromatic prenyltransferase(s), said methods comprising: 
     modeling a potential binding agent that fits spatially into an interaction site of an aromatic prenyltransferase defined by a plurality of atomic coordinates of said aromatic prenyltransferase; and 
     determining the ability of said potential binding agent to compete with an aromatic prenyltransferase substrate for said interaction site by contacting said potential binding agent with said aromatic prenyltransferase in the presence of said aromatic prenyltransferase substrate. 
     In accordance with yet another aspect of the present invention, there are provided additional methods of screening for compounds which bind aromatic prenyltransferase(s), said methods comprising: 
     determining the ability of a potential binding agent to compete with an aromatic prenyltransferase substrate for binding to an aromatic prenyltransferase, wherein the potential binding agent is modeled to fit spatially into an aromatic prenyltransferase interaction site defined by a plurality of atomic coordinates. 
     In accordance with still another aspect of the present invention, there are provided methods of identifying potential substrate(s) of an aromatic prenyltransferase, said methods comprising: 
     defining an active site of said aromatic prenyltransferase based on a plurality of atomic coordinates of said aromatic prenyltransferase; 
     identifying a potential substrate that fits said active site; and 
     contacting the aromatic prenyltransferase with the potential substrate and determining its activity thereon. 
     In accordance with a further aspect of the present invention, there are provided methods of screening compounds to determine whether such compounds are aromatic prenyltransferase substrates, said methods comprising: 
     determining the points of interaction between an aromatic prenyltransferase and a substrate or product therefor; 
     selecting compound(s) having similar interaction with said aromatic prenyltransferase; and 
     testing the selected compound for the ability to be converted by said aromatic prenyltransferase. 
     In accordance with still another aspect of the present invention, there are provided alternate methods of screening compounds to determine whether such compounds are aromatic prenyltransferase substrates, said methods comprising: 
     selecting compound(s) having points of interaction with said aromatic prenyltransferase, wherein similar points of interaction have been determined between said aromatic prenyltransferase and a substrate or product therefor; and 
     testing the selected compound for the ability to be converted by said aromatic prenyltransferase. 
     In accordance with a still further aspect of the present invention, there are provided additional methods of screening compounds to determine whether such compounds are aromatic prenyltransferase substrates, said methods comprising: 
     testing a compound for the ability to be converted by said aromatic prenyltransferase, 
     wherein said compound has been selected as having points of interaction with said aromatic prenyltransferase, and 
     wherein similar points of interaction have been determined between said aromatic prenyltransferase and a substrate or product therefor. 
     In accordance with yet another aspect of the present invention there are provided methods for stimulating the activity of an aromatic prenyltransferase, said methods comprising contacting said aromatic prenyltransferase with an effective amount of a compound identified by any of the above-described methods. 
     Such compounds are typically administered as part of formulations comprising at least one of the above-described compounds in a pharmaceutically acceptable carrier therefor. Exemplary pharmaceutically acceptable carriers include solids, solutions, emulsions, dispersions, micelles, liposomes, and the like. Optionally, the pharmaceutically acceptable carrier employed herein further comprises an enteric coating. 
     Pharmaceutically acceptable carriers contemplated for use in the practice of the present invention are those which render invention compounds amenable to oral delivery, transdermal delivery, intravenous delivery, intramuscular delivery, topical delivery, nasal delivery, and the like. 
     Thus, formulations contemplated for use in the practice of the present invention can be used in the form of a solid, a solution, an emulsion, a dispersion, a micelle, a liposome, and the like, wherein the resulting formulation contains one or more of the compounds of the present invention, as an active ingredient, in admixture with an organic or inorganic carrier or excipient suitable for enterable or parenteral applications. The active ingredient may be compounded, for example, with the usual non-toxic, pharmaceutically acceptable carriers for tablets, pellets, capsules, suppositories, solutions, emulsions, suspensions and any other suitable for use. The carriers which can be used include glucose, lactose, gum acacia, gelatin, manitol, starch paste, magnesium trisilicate, talc, corn starch, keratin, colloidal silica, potato starch, urea, medium chain length triglycerides, dextrans, and other carriers suitable for use in manufacturing preparations, in solid, semisolid, or liquid form. In addition auxiliary, stabilizing, thickening, and coloring agents and perfumes may be used. The active compound(s) is (are) included in the formulation in an amount sufficient to produce the desired effect upon the process or disease condition. 
     Formulations contemplated for use in the practice of the present invention containing the active ingredient may be in a form suitable for oral use, for example, as tablets, troches, lozenges, aqueous or oily suspensions, dispersible powders or granules, emulsions, hard or soft capsules, or syrups or elixirs. Formulations intended for oral use may be prepared according to any method known to the art for the manufacture of pharmaceutical compositions and such formulations may contain one or more agents selected from the group consisting of a sweetening agent such as sucrose, lactose, or saccharin, flavoring agents such as peppermint, oil of wintergreen or cherry, coloring agents and preserving agents in order to provide pharmaceutically elegant and palatable preparations. Tablets containing the active ingredient in admixture with non-toxic pharmaceutically acceptable excipients used may be, for example (1) inert diluents such as calcium carbonate, lactose, calcium phosphate or sodium phosphate; (2) granulating and disintegrating agents such corn starch, potato starch or alginic acid; (3) binding agents such as gum tragacanth, corn starch, gelatin or acacia, and (4) lubricating agents such as magnesium stearate, steric acid or talc. The tablets may be uncoated or they may be coated by known techniques to delay disintegration and absorption in the gastrointestinal tract and thereby provide a sustained action over a longer period. For example, a time delay material such as glyceryl monostearate or glyceryl distearate may be employed. They may also be coated by such techniques as those described in U.S. Pat. Nos. 4,256,108; 4,160,452; and 4,265,874, to form osmotic therapeutic tablets for controlled release. 
     In some cases, formulations contemplated for oral use may be in the form of hard gelatin capsules wherein the active ingredient is mixed with inert solid diluent(s), for example, calcium carbonate, calcium phosphate or kaolin. They may also be in the form of soft gelatin capsules wherein the active ingredient is mixed with water or an oil medium, for example, peanut oil, liquid paraffin, or olive oil. 
     Formulations contemplated for use in the practice of the present invention may be in the form of a sterile injectable suspension. This suspension may be formulated according to known methods using suitable dispersing or wetting agents and suspending agents. The sterile injectable preparation may also be a sterile injectable solution or suspension in a non-toxic parenterally-acceptable diluent or solvent, for example, as a solution in 1,3-butanediol. Sterile, fixed oils are conventionally employed as a solvent or suspending medium. For this purpose any bland fixed oil may be employed including synthetic mono- or diglycerides, fatty acids, naturally occurring vegetable oils like sesame oil, coconut oil, peanut oil, cottonseed oil, etc. or synthetic fatty vehicles like ethyl oleate or the like. Buffers, preservatives, antioxidants, and the like can be incorporated as required. 
     Formulations contemplated for use in the practice of the present invention may also be administered in the form of suppositories for rectal administration of the drug. These formulations may be prepared by mixing the drug with a suitable non-irritating excipient, such as cocoa butter, synthetic glyceride esters of polyethylene glycols, which are solid at ordinary temperatures, but liquefy and/or dissolve in the rectal cavity to release the drug. Since individual subjects may present a wide variation in severity of symptoms and each drug has its unique therapeutic characteristics, the precise mode of administration and dosage employed for each subject is left to the discretion of the practitioner. 
     Amounts effective for the particular therapeutic goal sought will, of course, depend on the severity of the condition being treated, and the weight and general state of the subject. Various general considerations taken into account in determining the “effective amount” are known to those of skill in the art and are described, e.g., in Gilman et al., eds., Goodman And Gilman&#39;s: The Pharmacological Bases of Therapeutics, 8th ed., Pergamon Press, 1990; and Remington&#39;s Pharmaceutical Sciences, 17th ed., Mack Publishing Co., Easton, Pa., 1990, each of which is herein incorporated by reference. 
     The term “effective amount” as applied to compounds contemplated for use in the practice of the present inversion, means the quantity necessary to effect the desired therapeutic result, for example, a level effective to treat, cure, or alleviate the symptoms of a disease state for which the therapeutic compound is being administered, or to establish homeostasis. Since individual subjects may present a wide variation in severity of symptoms and each drug or active agent has its unique therapeutic characteristics, the precise mode of administration, dosage employed and treatment protocol for each subject is left to the discretion of the practitioner. 
     The above-described methods for stimulating activity of aromatic prenyltransferases can be applied in many situations. For example, cancer cell resistance to chemotherapy is often mediated by overexpression of P-glycoprotein, a plasma membrane ABC (ATP-binding cassette) transporter which extrudes cytotoxic drugs at the expense of ATP hydrolysis. Prenylated flavoinoids have recently been reported as potential inhibitor of human multidrug resistant protein (MRP1) which belong to the ABC transporter superfamilly. Some of these prenylated compounds have also shown HIV-inhibitory effects. Recently, common forms of the prenylated flavonoids have been identified in beer: 6- and 8-prenylnaringenin, xanthohumol and isoxanthohumol are present in high concentrations in hops ( Humulus lupulus  L.) and their oestrogenic potency has been determined in in vitro and animal model systems, with data indicating that they are more potent oestrogens than the isoflavones class (see Milligan et al., J Clin Endocrinol Metab 84:2249-52 (1999). 
     In accordance with a still further aspect of the present invention, there are provided methods of identifying potential modulator(s) of aromatic prenyltransferase(s), said methods comprising: 
     defining an aromatic prenyltransferase polypeptide or fragment thereof based on a plurality of atomic coordinates of the aromatic prenyltransferase polypeptide; 
     modeling a potential binding agent that interacts with one or more domains of the aromatic prenyltransferase polypeptide; 
     contacting the potential binding agent with the aromatic prenyltransferase polypeptide; and 
     determining the ability of said potential binding agent to modulate an aromatic prenyltransferase biological function, thereby identifying a potential modulator of an aromatic prenyltransferase polypeptide. 
     As employed herein, “modulators” refers to compound(s) which, either directly (by binding to a prenyltransferase) or indirectly (as a precursor for a compound which binds to a prenyltransferase, or an inducer which promotes production of a compound which binds to a prenyltransferase from a precursor) induce the activity of prenyltransferase, or to repress the activity of prenyltransferase. Exemplary modulators contemplated in the practice of the present invention include flavonoids, isoflavonoids, and the like. 
     In accordance with yet another aspect of the present invention, there are provided alternate methods of identifying potential modulator(s) of the activity of aromatic prenyltransferase(s), said methods comprising: 
     defining the active site of said aromatic prenyltransferase based on a plurality of atomic coordinates of said aromatic prenyltransferase, 
     contacting a potential compound that fits the active site of (a) with the aromatic prenyltransferase in the presence of a substrate, and 
     determining the ability of said compound to modulate the activity of said aromatic prenyltransferase with respect to said substrate. 
     In accordance with still another aspect of the present invention, there are provided additional methods of identifying potential modulator(s) of the activity of aromatic prenyltransferase(s), said methods comprising: 
     contacting a potential compound that fits an active site based on a plurality of atomic coordinates of said aromatic prenyltransferase; and 
     determining the ability of said compound to modulate the activity of said aromatic prenyltransferase. 
     In accordance with a further aspect of the present invention, there are provided methods of screening for compounds that modulate the activity of aromatic prenyltransferase(s), said methods comprising: 
     determining the points of interaction between an aromatic prenyltransferase, and substrate or substrate mimic therefor; 
     selecting compound(s) having similar interaction with said aromatic prenyltransferase; and 
     testing the selected compound for the ability to modulate the activity of an aromatic prenyltransferase. 
     As employed herein, “modulating” refers to the ability of a modulator for a prenyltransferase to either directly or indirectly induce prenyltransferase activity, or to repress prenyltransferase activity. Exemplary processes contemplated for modulation according to the invention include cholesterol metabolism, regulation of lipid homeostasis, stimulation of bile transport and absorption, regulation of the expression of genes involved in the excretion and transportation of bile acids (including intestinal bile acid-binding protein (IBABP)), bile salt export pump (BSEP) and canalicular multi-specific organic anion transporter (cMOAT), and the like. 
     In accordance with still another aspect of the present invention, there are provided alternate methods of screening for compounds that modulate the activity of aromatic prenyltransferase(s), said methods comprising: 
     selecting compound(s) having points of interaction with an aromatic prenyltransferase, wherein similar points of interaction have been determined between said aromatic prenyltransferase and a substrate or substrate mimic therefor; and 
     testing the selected compound for the ability to modulate the activity of said aromatic prenyltransferase. 
     In accordance with yet another aspect of the present invention, there are provided additional methods of screening for compounds that modulate the activity of aromatic prenyltransferase(s), said methods comprising: 
     testing a compound for the ability to modulate the activity of an aromatic prenyltransferase, 
     wherein said compound has been selected as having points of interaction with said aromatic prenyltransferase, and 
     wherein similar points of interaction have been determined between said aromatic prenyltransferase and a substrate or substrate mimic therefor. 
     In accordance with yet another aspect of the present invention, there are provided methods for prenylating aromatic substrates, said methods comprising: 
     contacting an aromatic substrate with an aromatic prenyltransferase as described herein, under prenylating conditions. 
     In accordance with still another aspect of the present invention, there are provided methods of identifying proteins having a beta/alpha barrel structure, said methods comprising: 
     comparing a three-dimensional representation of an aromatic prenyltransferase as described herein with a three-dimensional representation of a putative protein having a beta/alpha barrel structure, wherein similarities between the two representations are predictive of aromatic prenyltransferase proteins having a beta/alpha barrel structure. 
     In accordance with a further aspect of the present invention, there are provided methods for controlling the degree of prenylation promoted by an aromatic prenyltransferase, said methods comprising: 
     altering one or more active site residues of said aromatic prenyltransferase so as to change the dimensions of the active site sufficiently to control the degree of prenylation promoted by said aromatic prenyltransferase. 
     As used herein, “degree of prenylation” refers to the number of isoprenoid units added to a substrate. This embraces prenylation at multiple sites, as well as introduction of one or more isoprenoid units at a single site. 
     In accordance with a still further aspect of the present invention, there are provided methods for modifying the degree of prenylation promoted by an aromatic prenyltransferase, said methods comprising: 
     modifying one or more active site residues of said aromatic prenyltransferase so as to change the dimensions of the active site sufficiently to modify the degree of prenylation promoted by said aromatic prenyltransferase. 
     In accordance with yet another aspect of the present invention, there are provided methods for controlling the substrate specificity of an aromatic prenyltransferase, said methods comprising: 
     altering one or more active site residues of said aromatic prenyltransferase so as to change the dimensions of the active site sufficiently to control the selectivity of said aromatic prenyltransferase with respect to aromatic substrates which are prenylated by said aromatic prenyltransferase. 
     As used herein, “substrate specificity” refers to the selectivity with which an enzyme recognizes a substrate. A selective prenyltransferase will recognize only a single, or a limited number of substrates, whereas a non-selective (promiscuous) prenyltransferase will recognize a plurality of substrates. 
     In accordance with a further aspect of the present invention, there are provided methods for modifying the substrate specificity of an aromatic prenyltransferase, said methods comprising: 
     modifying one or more active site residues of said aromatic prenyltransferase so as to change the dimensions of the active site sufficiently to modify the selectivity of said aromatic prenyltransferase with respect to aromatic substrates which are prenylated by said aromatic prenyltransferase. 
     In accordance with still another aspect of the present invention, there are provided methods for controlling the donor specificity of an aromatic prenyltransferase, said methods comprising: 
     altering one or more active site residues of said aromatic prenyltransferase so as to change the dimensions of the active site sufficiently to control the selectivity of said aromatic prenyltransferase with respect to prenyl donors which are employed to prenylate an aromatic substrate. 
     As used herein, “donor specificity” refers to the selectivity with which an enzyme recognizes a prenyl donor. A selective prenyltransferase will recognize only a single, or a limited number of prenyl donors, whereas a non-selective (promiscuous) prenyltransferase will recognize a plurality of prenyl donors. Exemplary prenyl donors include dimethylallyl diphosphate (DMAPP, C5), isopentenyl diphosphate (IPP, C5), geranyl diphosphate (GPP, C10), farnesyl diphosphate (FPP, C15), and the like. 
     In accordance with a further aspect of the present invention, there are provided methods for modifying the donor specificity of an aromatic prenyltransferase, said methods comprising: 
     modifying one or more active site residues of said aromatic prenyltransferase so as to change the dimensions of the active site sufficiently to modify the selectivity of said aromatic prenyltransferase with respect to prenyl donors employed to prenylate an aromatic substrate. 
     In accordance with still another aspect of the present invention, there are provided computer programs on a computer readable medium, said computer programs comprising instructions to cause a computer to define an aromatic prenyltransferase or fragment thereof based on a plurality of atomic coordinates of the aromatic prenyltransferase. 
     According to another aspect of the present invention, there is provided a computer for determining at least a portion of the structure coordinates corresponding to X-ray diffraction data obtained from an aromatic prenyl transferase molecule or molecular complex or a homologue of said aromatic prenyl transferase molecule or molecular complex, said computer comprising:
         (i) a computer-readable data storage medium comprising a data storage material encoded with machine-readable data, wherein said data comprises at least a portion of the structure coordinates of Appendix 1;   (ii) a computer-readable data storage medium comprising a data storage material encoded with computer-readable data, wherein said data comprises X-ray diffraction data obtained from said aromatic prenyl transferase molecule or molecular complex or a homologue of said aromatic prenyl transferase molecule or molecular complex;   (iii) a working memory for storing instructions for processing said computer-readable data of (i) and (ii);   (iv) a central-processing unit coupled to said working memory and to said computer-readable data storage medium of (i) and (ii) for performing a Fourier transform of the machine readable data of (i) and for processing said computer-readable data of (ii) into structure coordinates; and   (v) a display coupled to said central-processing unit for displaying said structure coordinates of said molecule or molecular complex.       

     The term “computer” as used herein can be composed of a central processing unit (for example, the Pentium III from Intel Corporation, or similar processor from Sun, Motorola, Compaq, AMD or International Business Machines, and the like), a working memory which may be random-access memory or core memory, mass storage memory (for example, one or more floppy disk drives, compact disk drives or magnetic tape containing data recorded thereon), at least one display terminal, at least one keyboard and accompanying input and output devices and connections therefor. The computer typically includes a mechanism for processing, accessing and manipulating input data. A skilled artisan can readily appreciate that any one of the currently available computer systems are suitable. It should also be noted that the computer can be linked to other computer systems in a network or wide area network to provide centralized access to the information contained within the computer. 
     Contemplated input devices for entering machine readable data include, for example, telephone modem lines, cable modems, CD-ROMs, a keyboard or disk drives. The computer may advantageously include or be programmed with appropriate software for reading the data from the data storage component or input device, for example computational programs for use in rational drug design that are described in detail below. Contemplated output devices include conventional systems known in the art, for example, display terminals, printers, or disk drives for further storage of output. 
     Embodiments of the invention include systems (e.g., internet based systems), particularly computer systems which store and manipulate the coordinate and sequence information described herein. One example of a computer system  100  is illustrated in block diagram form in  FIG. 8 . As used herein, “a computer system” refers to the hardware components, software components, and data storage components used to analyze the coordinates and sequences such as those set forth in Appendix 1. The computer system  100  typically includes a processor for processing, accessing and manipulating the sequence data. The processor  105  can be any well-known type of central processing unit, such as, for example, the Pentium III from Intel Corporation, or similar processor from other suppliers such as Sun, Motorola, Compaq, AMD or International Business Machines. 
     Typically the computer system  100  is a general purpose system that comprises the processor  105  and one or more internal data storage components  110  for storing data, and one or more data retrieving devices for retrieving the data stored on the data storage components. A skilled artisan can readily appreciate that any one of the currently available computer systems are suitable. 
     In one particular embodiment, the computer system  100  includes a processor  105  connected to a bus which is connected to a main memory  115  (preferably implemented as RAM) and one or more internal data storage devices  110 , such as a hard drive and/or other computer readable media having data recorded thereon. In some embodiments, the computer system  100  further includes one or more data retrieving device(s)  118  for reading the data stored on the internal data storage devices  110 . 
     The data retrieving device  118  may represent, for example, a floppy disk drive, a compact disk drive, a magnetic tape drive, a modem capable of connection to a remote data storage system (e.g., via the internet), and the like. In some embodiments, the internal data storage device  110  is a removable computer readable medium such as a floppy disk, a compact disk, a magnetic tape, and the like, containing control logic and/or data recorded thereon. The computer system  100  may advantageously include or be programmed by appropriate software for reading the control logic and/or the data from the data storage component once inserted in the data retrieving device. 
     The computer system  100  includes a display  120  which is used to display output to a computer user. It should also be noted that the computer system  100  can be linked to other computer systems  125   a - c  in a network or wide area network to provide centralized access to the computer system  100 . 
     Software for accessing and processing the coordinate and sequences of Appendix 1, (such as search tools, compare tools, and modeling tools etc.) may reside in main memory  115  during execution (Appendix 1, pages 56-72 discloses residues 3-303 of SEQ ID NO: 2). 
     Computer programs are widely available that are capable of carrying out the activities necessary to model structures and substrates using the crystal structure information provided herein.
         Examples include, but are not limited to, the computer programs listed below   Catalyst Databases™—an information retrieval program accessing chemical databases such as BioByte Master File, Derwent WDI and ACD;   Catalyst/HYPO™—generates models of compounds and hypotheses to explain variations of activity with the structure of drug candidates;   Ludi™—fits molecules into the active site of a protein by identifying and matching complementary polar and hydrophobic groups;   Leapfrog™—“grows” new ligands using an algorithm with parameters under the control of the user.       

     In addition, various general purpose machines may be used with programs written in accordance with the teachings herein, or it may be more convenient to construct more specialized apparatus to perform the operations. However, preferably this is implemented in one or more computer programs executing on programmable systems each comprising at least one processor, at least one data storage system (including volatile and non-volatile memory and/or storage elements), at least one input device, and at least one output device. The program is executed on the processor to perform the functions described herein. 
     The following examples are provided to further illustrate aspects of the invention. These examples are non-limiting and should not be construed as limiting any aspect of the invention. 
     EXAMPLES 
     All solvents and reagents were obtained from the Aldrich Chemical Company (Milwaukee, Wis.) unless otherwise indicated. 
     Example 1 
     Cloning of ORF2 
     A cosmid pCLC7 (see Takagi et al., J Bacteriol 182:41534157 (2000)), which contains the mevalonate pathway gene cluster and the flanking regions cloned from CL190, was sequenced. The DNA sequence of Orf2 was determined by standard techniques, and is set forth as SEQ ID NO:1. The amino acid sequence of Orf2 was deduced from the DNA sequence and is set forth as SEQ ID NO:2. 
     This sequencing revealed 3 new complete orfs, orf1, orf2, and orf3 and a partial orf4 in a 9.0 kb-BamHI-BamHI DNA fragment which contains mevalonate kinase and diphosphomevalonate decarboxylase (see pCL3301 in  FIG. 6 ). To deduce function of each orf, a database search was done. The results are summarized in Table 2. 
     
       
         
           
               
               
               
             
               
                 TABLE 2 
               
               
                   
               
               
                   
                 Amino 
                 Most homologous proteins 
               
               
                 ORFs 
                 acids 
                 and their accession numbers 
               
               
                   
               
             
            
               
                 ORF1 
                 319 aa 
                   S. avermitilis  RNA polymerase 
               
               
                   
                   
                 ECF-subfamily σ factor, AP005050 
               
               
                 ORF2 
                 307 aa 
                   S. coelicolor  A3(2) protein, AL391041 
               
               
                 ORF3 
                 410 aa 
                   S. antibioticus  type III polyketide synthase, AB084489 
               
               
                 ORF4 
                 177 aa 
                   S. erythraeus  protein, AY078067 
               
               
                   
               
            
           
         
       
     
     ORF2 also showed sequence similarity to the previously described 4-hydroxyphenylpyruvate:dimethylallytransferase, clog (accession number AF329398) and novQ (accession number AF170880), from  Streptomyces roseochromogenes  and  Streptomyces spheroides  NCIMB 11891, respectively (Pojer et al., supra). ORF3 is most likely to encode type HI polyketide synthase which produces THN. These data confirm that ORF2 encodes geranyltransferase which catalyzes geranyl transfer to THN or a THN derivative produced by the action of ORF3. 
     Example 2 
     Cloning, Expression and Purification of the ORF2 Gene 
     The orf2 gene from  Streptomyces  sp. strain CL190 (GenBank accession number AB187169) was cloned by PCR amplification of total genomic DNA from CL190 using oligonucleotides designed for ligation into the  E. coli  expression vector pQE30 (Qiagen), to generate the expression plasmid pQEORF2. PCR amplification of pQEORF2, using oligonucleotides designed for ligation into the  E. coli  expression vector pHIS8 (Jez et al., Biochemistry 39(5):890-902 (2000)) was carried out using the forward primer sequence: 
                    5′-GGG GGG  GGA TCC  TCC GAA GCC GCT GAT GTC G-3′,               (SEQ ID NO: 3; BamHI site underlined)            
and the reverse primer sequence:
 
                    5′-GGG GGG  GAA TTC  TCA GTC CTC CAG CGA GTC G-3′,               (SEQ ID NO: 4; EcoRI site underlined)            
to generate the expression vector pHIS8ORF2. Constructs of pHIS8ORF2 were transformed into  E. coli  BL21 (DE3) from Novagen. Recombinant Orf2 protein was obtained and purified using a standard protocol described before Jez et al., supra. Selenomethionine (Se-Met)-substituted protein was obtained from  E. coli  grown in M9 minimal medium using the methionine pathway inhibition approach (Doublié, 1997), and purified as described for the native protein.
 
     Example 3 
     Crystallization of Orf2 
     Initial crystals of the Orf2 protein (50 μm×30 μm×10×μm) were obtained by the vapor diffusion method at 4° C. 2 μl hanging drops containing a 1:1 mixture of a 15 mg·ml −1  protein with crystallization buffer (28% [w/v] PEG 4000, 0.3 M magnesium nitrate, 2 mM DL-dithiothreitol (DTT), 0.1 M PIPES pH 8.5) equilibrated over a 500 μl reservoir of the same solution produced small diffracting crystals overnight. Larger crystals were obtained by the macro-seeding technique in the same conditions. Crystals were stabilized by soaking briefly in a cryoprotectant solution (30% (w/v) PEG 4000, 15% (v/v) glycerol, 0.3 M magnesium nitrate, 2 mM DTT, 0.1 M TAPS, pH 8.5), and flash frozen in liquid nitrogen prior to data collection. Orf2 crystals belong to the P2 1 2 1 2 space group with average unit cell dimensions of a=71 Å, b=92 Å, c=48 Å, 90°, and contain one monomer per asymmetric unit and a solvent content of 45%. Se-Met substituted crystals were obtained as described (Doublie, Methods Enzymol 276:523-30 (1997)). Various complexes were obtained by soaking wild type Orf2 crystals in stabilization solution containing 5 mM GPP, 10 mM GSPP and 40 mM 1,6-DHN, and 10 mM GSPP and 10 mM flaviolin (GPP and GSPP were purchased from Echelon Biosciences Inc.). 
     Example 4 
     Structure Determination and Refinement 
     A multi-wavelength anomalous dispersion (MAD) data set was collected at the selenium edge on a Se-Met incorporated protein crystal at the Brookhaven National Laboratory (BNL) on beam line X8C. Data were processed with HKL2000 (Otwinowski and Minor, Methods Enzymol 307-326 (1997)), and reduced to a unique set of indexed intensities to a resolution of 1.6 Å. Single wavelength data sets were collected in house, at Brookhaven National Laboratory (BNL), the European Synchrotron Facility (ESRF), and at the Stanford Synchrotron Radiation Laboratory (SSRL) on the various complexes (Table 1). Phasing, density modification and automatic model building were carried out with the program suite Solve/Resolve (Terwilliger, Acta Crystallogr D Biol Crystallogr 58(Pt 11):1937-40 (2002); Terwilliger and Berendzen, Acta Crystallogr D Biol Crystallogr 55(Pt 4):849-61 (1999)) providing a high quality initial electron density map, using 7 identified Se sites. Additional rounds of building and refinement were carried out with the programs O (Jones, The O Manual, 1993, Upsalla, Sweden) and CNS (Brunger, Acta Crystallogr D Biol Crystallogr 54(Pt 5):905-21 (1998)), respectively. This first model was used to solve the various complexes by molecular replacement with AMoRe (Navaza, Acta Crystallogr D Biol Crystallogr 57(Pt 10):1367-72 (2001)). 
     Example 5 
     Detection of Prenyltransferase Activity of ORF2 
     The basal reaction buffer employed contained 50 mM HEPES (pH 7.5), 5 mM MgCl 2 , 5 mM DTT (as needed), 5 mM prenyl acceptor (DHN1, DHN2 and DHN3; see  FIG. 2B ), and optionally 5 mM FPP or GPP, in a final volume of 20 The reaction (except for control) was initiated by adding 20 μg of ORF2 protein to the basal assay mixture. After incubation at room temperature for 4 hrs., the reaction mixture was dried using SpeedVac and the dried residue was spotted on a silica gel TLC plate. The plate was developed with chloroform:methanol (15-30:1). Reaction products were detected at 254 nm UV. 
     With prenyl acceptors DHN1 and DHN2, and either prenyl donor, FPP or GPP, prenyltransferase activity was observed. With prenyl acceptor DHN3, prenyltransferase activity was observed with GPP. 
     Additional studies were carried out with ORF2 and (a) 1,6-DHN (2), (b) 2,7-DHN (3), (c) daidzein (7,4′-dihydroxyisoflavonone, 5), (d) genistein (5,7,4′-trihydroxyisoflavone, 8), (e) naringenin (5,7,4′-trihydroxyflavonone, 9), (f) olivetol (12), and (g) resveratrol (3,4′,5-trihydroxystilbene, 13). These prenyl acceptors gave the following reaction products:
     (a) 5-geranyl-1,6-DHN and 2-geranyl-1,6-DHN;   (b) 1-geranyl-2,7-DHN and 1,6-digeranyl-2,7-DHN;   (c) 7-O-geranyl-daidzein;   (d) 7-O-geranyl-genistein;   (e) 6-geranyl-naringenin and 7-O-geranyl-naringenin;   (f) 2-geranyl-olivetol and 4-geranyl-olivetol, and   (g) 4-geranyl-resveratrol.   

     Example 6 
     Mg 2+  Dependent Prenyltransferase Activity of ORF2 
     The basal reaction buffer employed contained 50 mM HEPES (pH 7.5), 5 mM DTT (as needed), 5 mM prenyl acceptor, DHN2, and 5 mM GPP, in a final volume of 20 μl. The magnesium-containing reaction mixture contained 5 mM MgCl 2 . The reaction was initiated by adding 20 μg of ORF2 protein to the basal assay mixture. After incubation at room temperature for 4 hrs., the reaction mixture was dried using SpeedVac and the dried residue was spotted on a silica gel TLC plate. The plate was developed with chloroform:methanol (15-30:1). Reaction products were detected at 254 nm UV. 
     In the presence of magnesium in the reaction mixture, prenylated products were readily observed, while in the absence of magnesium in the reaction mixture, no prenylated products were observed. 
     Example 7 
     Promiscuous Activity of ORF2 with Different Flavonoids and Other Compounds 
     The reaction buffer employed contained 50 mM HEPES (pH 7.5), 5 mM DTT (as needed), 5 mM MgCl 2 , 0.1 mM of each prenyl acceptor, 0.1 mM GPP, and 0.01 mM [ 14 C]GPP in a final volume of 20 μl. The reaction was initiated by adding 20 μg of ORF2 protein to the assay mixture. After incubation at room temperature for 4 hrs., the reaction mixture was dried using SpeedVac and the dried residue was spotted on a silica gel TLC plate. The plate was developed with chloroform:methanol (15-30:1). Reaction products were detected with a phosphoimager. The compounds tested were daidzein, fisetin, formononetin, genistein, naringenin, 4-HPP and DHN2. 
     With each of the prenyl acceptors tested, prenylated products were readily observed. 
     Example 8 
     Knock out ORF2 Mutant in  Streptomyces  sp. Strain CL190 
     To gain insight into the function of ORF2, an ORF2 knock out mutant was constructed by frame-shift mutation into orf2. Thus, the 9.0 kb-BamHI-BamHI DNA fragment containing orf2 was cloned into BamHI site of pUC118 (Takara, Kyoto, Japan), a vector of  E. coli . The resulting plasmid, pCL3301, was digested with EcoRI and then a 3.5-kb EcoRI-EcoRI DNA fragment was cloned into EcoRI site of pUC118 to give pCL3301E3. In addition, a 2.0-kb BamHI-EcoRI DNA fragment in pCL3301 was cloned into BamHI-EcoRI site of pBluescript (Toyobo, Tsuruga, Japan) to give pCL3301BE2. pCL3301E3 was digested with Bg/II, the recognition site of which is in the targeted orf2, and then blunt-ended with T4 DNA polymerase (Takara). Next, this blunt-ended DNA fragment was self-ligated to give pCL3301E3Bg, which contains orf2 having a frame shift mutation. A 3.5-kb EcoRI-EcoRI DNA fragment cut from pCL3301E3Bg was cloned into the EcoRI site of pCL3301BE2 to give pBluedORF2. Finally, a 5.0-kb XbaI-KpnI fragment, both the recognition sites of which are in the vector pBluescript, was ligated into the same sites of pSE101 (see Dairi et al., Biosci Biotechnol Biochem 59:1835-1841 (1995)), a  Streptomyces - E. coli  shuttle vector, to give pSEdORF2. 
       Streptomyces  sp. strain CL190 was transformed with pSEdORF2 (as described by Kieser, et al., in “Practical  Streptomyces  Genetics”, eds. The John Innes Foundation, Norwich (2000). General considerations about gene cloning in  Streptomyces . pp. 211-228) and a desired transformant was selected on R2YE plates containing 20 μg thiostrepton/ml. Next, the transformant was cultivated in SK2 liquid medium containing 20 μg thiostrepton/ml at 30° C. for 3 days. As described by Kieser et al., supra, protoplast was prepared from the transformant mycelium and regenerated on R2YE medium without thiostrepton. Each regenerated colony was simultaneously inoculated on Bennet plates with and without thiostrepton and a thiostrepton sensitive colony was selected to obtain the ORF2 knocking out mutant,  Streptomyces  sp. strain CL190 dORF2-8. It was confirmed by PCR that the mutant actually had frame-shift mutation in orf2 ( FIG. 7 ). 
     The constructed mutant and CL190 were cultivated as reported by Shin-ya, et al., in J. Antibiot. (Tokyo) 43, 444-447 (1990). Myceria were harvested by centrifuge and then naphterpin produced by CL190 was extracted from the CL190 mycerium by the same method previously reported (Shin-ya et al., supra). The mycerium of the mutant was also extracted by the same method. Both the extracts were analyzed on silica gel-thin layer chromatography (TLC) as described. As a result, naphterpin was detected in the extract from CL190, but not in the extract from the mutant ( FIG. 7 ). This result unequivocally indicates that ORF2 is essential for the naphterpin biosynthesis. 
     Example 9 
     Database Searches 
     Data base searches for sequence and structural homologues were performed with PSI-BLAST and VAST (accessible via the internet on the world wide web at the URL “ncbi.nlm.nih.gov”), SSM and DALI (accessible via the internet on the world wide web at the URL “ebi.ac.uk/msd-srv/ssm”), CE (accessible via the internet on the world wide web at the URL “cl.sdsc.edu/ce.html”) and DEJAVU (accessible via the internet on the world wide web at the URL “portray.bmc.uu.se/”) respectively, through the Protein Data Bank (accessible via the internet on the world wide web at the URL “rcsb.org/pdb/”), the Structural Classification of Proteins (SCOP, accessible via the internet on the world wide web at the URL “scop.mrc-lmb.cam.ac.uk/scop”), and the CATH Protein structure classification (accessible via the internet on the world wide web at the URL “biochem.ucl.ac.uk/bsm/cath”). 
     Example 10 
     Modeling 
     Models of CloQ/NovQ and HypSc were performed with the Modeller-4 package (Sali et al., Proteins 23(3):318-26 (1995)) using Orf2 as a structural template (see  FIG. 6 ). For each sequence, five different models were calculated and evaluated. The multiple sequence alignment was then hand modified based on the superposition of the Orf2 structure with the different models. Modeller was then re-run and the iteratively generated models visually inspected and adjusted if necessary. Model quality was assessed with PROCHECK (see Laskowski, et al., J Appl Cryst 26:283-291 (1993)). Side chains presenting potentially significant variation between the different active sites are displayed and labeled. Conserved residues in the different models include Asp 110, Lys 119, Asn 173, Tyr 175, Tyr 216, and Arg 228, of which only Asp 110 and Arg 228 are displayed for clarity. 
     Example 11 
     Comparative Modeling of CloQ/NovQ and hypSc 
     While a significant degree of active site residue correspondence is consistent with the validity of the homology models, small but critical differences in key active site residues provide reasons for the shorter prenyl chain length specificity of CloQ/NovQ and for differences in aromatic substrate selectivity (Pojer et al., supra). In addition, the homology model of HypSc is consistent with the hypothesis for prenyl chain length specificity in this predicted protein. Tyr 121, involved in GPP binding in Orf2, is replaced in all other sequences by a Trp (115 in CloQ/NovQ, and 117 in HypSc): the modeled ring orientation is identical to Tyr 121 while the increased bulkiness may better sequester the shorter C5 prenyl chain of DMAPP, Ser 64 and Gly 286, replaced by Arg (59 in CloQ/NovQ, 61 in HypSc) and Glu (274 in CloQ/NovQ/HypSC), respectively, appear poised to form an internal salt-bridge precisely over the location of the second C5 isoprene unit of the GPP molecule experimentally positioned in the Orf2 active site. Identical changes observed in the HypSc prenyltransferase model predict that this enzyme will also use DMAPP as a prenyl donor. Notably, in Orf2, the geranyl chain of the GPP molecule ends next to the barrel opening, thus providing a probable reason for Orf2&#39;s ability to accommodate the C15 prenyl chain of the FPP unit. 
     Moreover, structural alignment of Orf2 with the CloQ/NovQ and HypSc models reveals the molecular determinants for Orf2&#39;s requirement for divalent cations. Asp 62, directly involved in Orf2&#39;s diphosphate binding via a coordinated Mg 2+  ion, is conservatively replaced in HypSc by Asn 59 but changes to a Ser 57 in CloQ/NovQ. In a complementary manner, Ser 51 in Orf2 is replaced by a positively charged Lys 47 in CloQ/NovQ and a positively charged Arg 47 in HypSc that, with little rotamer rearrangement, can be positioned over the Mg 2+  ion observed in Orf2. Furthermore, these basic side chains are ideally positioned for electrostatic binding to the negatively charged α-phosphate of the GPP molecule. However, Asp 110, involved indirectly in binding Mg 2+  via a water molecule, is conserved in all the sequences examined ( FIG. 1B ); thus providing an explanation as to why CloQ and NovQ are active in the absence of Mg 2+  but display maximum activity in the presence of 2.5 mM Mg 2+  (Pojer et al, supra). Regarding CloQ&#39;s specificity for 4-HPP, Orf2&#39;s Gln 161 and Ser 177 are replaced by Arg, 153 and 169 in CloQ, and are positioned to possibly bind the negatively charged tail of the 4-HPP substrate. 
     This analysis allows one to predict that the HypSc enzyme is a prenyltransferase, accepting only DMAPP as a substrate, while not requiring Mg 2+  for its activity; this homology modeling based hypothesis has been confirmed by the cloning, protein expression and enzymatic assays of HypSc (see  FIG. 7 ). 
     
       
         
           
               
             
               
                 TABLE 3 
               
             
            
               
                   
               
               
                 Crystallographic data, phasing, and refinement statistics 
               
            
           
           
               
               
               
               
               
               
               
               
               
            
               
                   
                   
                 SeMet-Orf2 
                   
                   
                   
                 Wt + GSPP + 
                 wt + GSPP + 
                   
               
               
                 Data Set 
                 λ1 (inf, max f″) 
                 λ2 (peak, min f′) 
                 λ3 (remote) 
                 Wt + TAPS 
                 Wt + GPP 
                 1,6-DHN 
                 Flaviolin 
               
               
                   
               
               
                 Beam line 
                 BNL-X8C 
                 BNL-X8C 
                 BNL-X8C 
                 BNL-X6A 
                 Salk Inst. 
                 ESRF-BM30A 
                 SSRL-9.1 
                   
               
               
                 Wavelength (Å) 
                 0.9793 
                 0.97915 
                 0.9641 
                 0.934 
                 1.54178 
                 0.9797 
               
               
                 Space Group 
                 P2 1 2 1 2 
                 P2 1 2 1 2 
                 P2 1 2 1 2 
                 P2 1 2 1 2 
                 P2 1 2 1 2 
                 P2 1 2 1 2 
                 P2 1 2 1 2 
               
               
                 Unit cell a, b, c (Å) 
                 71.3, 91.2, 
                 71.4, 91.2, 
                 71.3, 91.1, 
                 71.3, 91.2, 
                 74.6, 91.9, 
                 71.3, 90.2, 
                 73.6, 91.6, 
               
               
                   
                 48.3 
                 48.4 
                 48.3 
                 48.3 
                 48.8 
                 47.5 
                 48.6 
               
               
                 Resolution (Å) 
                   50-1.55 
                   50-1.55 
                   50-1.50 
                   50-1.45 
                   99-2.25 
                   99-1.95 
                   50-2.02 
               
               
                 last shell (Å) 
                 1.61-1.55 
                 1.57-1.52 
                 1.55-1.50 
                 1.42-1.40 
                 2.29-2.25 
                 2.00-1.95 
                 2.09-2.02 
               
               
                 Observations 
               
               
                 Overall a   
                 156510 
                 162052 
                 170494 
                 139582 
                 70572 
                 115225 
                 110252 
               
               
                 Unique a   
                 86828 
                 91336 
                 95274 
                 49390 
                 16155 
                 22960 
                 21790 
               
               
                 Redundancy a,b   
                 1.8 (1.9) 
                 1.8 (1.5) 
                 1.8 (1.5) 
                 2.84 (1.94) 
                 4.4 (4.2) 
                 5.0 (5.1) 
                 4.5 (5.0) 
               
               
                 Completenese a,b  (%) 
                 98.2 (98.2) 
                 97.5 (91.1) 
                   98 (94.8) 
                 78.3 (50.4) 
                   98 (99.9) 
                 99.5 (99.6) 
                 99.1 (99.5) 
               
               
                 I/σI b   
                 15.3 (2.2)  
                 14.7 (1.7)  
                 14.3 (1.7)  
                 37.34 (38.9)  
                 13.5 (2.5)  
                 32.3 (35.5) 
                 31.9 (38.0) 
               
               
                 Rsym b,c  (%) 
                  7.4 (49.9) 
                  6.6 (48.3) 
                  7.2 (55.7) 
                  9.7 (51.5) 
                  8.6 (54.8) 
                  8.6 (51.2) 
                  9.0 (57.2) 
               
               
                 No. of Se sites 
                   
                 7 
               
               
                 FOM d   
               
               
                 centric 
                 0.57 
               
               
                 acentric 
                 0.55 
               
               
                 R cryst   e /R free   f  (%) 
                   
                 21.42 (24.22) 
                   
                   
                 23.0 (25.8) 
                 22.25 (25.1)  
                 24.1 (27.1) 
                 23.0 (26.8) 
               
               
                 Missing residues 
                   
                 5 
                   
                   
                 6 
                 5 
                 6 
                 6 
               
               
                 Protein atoms 
                   
                 2322 
                   
                   
                 2332 
                 2338 
                 2332 
                 2332 
               
               
                 Water molecules 
                   
                 254 
                   
                   
                 429 
                 205 
                 346 
                 320 
               
               
                 Ions bound g   
                   
                 0 
                   
                   
                 0 
                 3 
                 2 
                 3 
               
               
                 Substrate and/or 
                 0 
                   
                   
                   
                 15 
                 19 
                 31 
                 32 
               
               
                 binding agent 
               
               
                 atoms h   
               
               
                 R.m.s.d. bond 
                   
                 0.005 
                   
                   
                 0.005 
                 0.006 
                 0.006 
                 0.007 
               
               
                 length (Å) 
               
               
                 R.m.s.d. bond 
                   
                 1.2 
                   
                   
                 1.2 
                 1.2 
                 1.2 
                 1.1 
               
               
                 angles (°) 
               
               
                 average B-factor 
               
               
                 (Å 2 ) 
               
               
                 protein 
                   
                 13.6 
                   
                   
                 16.2 
                 28.2 
                 43.5 
                 29.4 
               
               
                 water 
                   
                 22.8 
                   
                   
                 27.7 
                 35.3 
                 42.5 
                 42.6 
               
               
                 substrate and/or 
                   
                 0 
                   
                   
                 20.5 
                 67.4 
                 52.5 
                 41.0 
               
               
                 binding agent 
               
               
                   
               
               
                   a For the SeMet data sets, F +  and F −  were considered non-equivalent when calculating the number of unique reflections and completeness. 
               
               
                   b Number in parenthesis is for highest resolution shell. 
               
               
                   c Rsym = Σ h |I h  − &lt;Ih&gt;|/Σ h (I h ), where &lt;I h &gt; is the average intensity over symmetry equivalent reflections. 
               
               
                   d FOM is the Figure of Merit 
               
               
                   e R cryst  = Σ||F obs  − F calc ||/Σ|F obs |, where summation is over the data used for refinement. 
               
               
                   f R free  factor is R cryst  calculated using 5% of data (test set) excluded from refinement. 
               
               
                   g Ion bounds refers to Mg 2+ , (NO 3 ) 2−  ions. 
               
               
                   h Substrate and/or binding agent atoms refers to TAPS, GPP, GSPP and 1,6-DHN, GSPP and flaviolin molecules. 
               
            
           
         
       
     
     Thus, Table 3 summarizes the structural features accompanying prenyl chain length determination, aromatic substrate selectivity and the mechanism of prenyl group transfer, as determined by obtaining X-ray crystal structures of four Orf2 substrate/substrate analogue complexes, namely Orf2 complexed with a TAPS buffer molecule, a binary Orf2 complex containing GPP and Mg 2+ , a ternary Orf2 complex with a non-hydrolyzable GPP analogue, GSPP, Mg 2+  and 1,6-DHN, and a ternary Orf2 complex with GSPP, Mg 2+  and flaviolin. 
     Example 12 
     Detection of Prenyltransferase Activity of hypSc 
     The assay described in Example 5 was repeated with hypSc and (a) 1,6-DHN (2), (b) 2,7-DHN (3), (c) daidzein (7A′-dihydroxyisoflavonone, 5), (d) genistein (5,7,4′-trihydroxyisoflavone, 8), (e) naringenin (5,7,4′-trihydroxyflavonone, 9), (f) olivetol (12), and (g) resveratrol (3,4′,5-trihydroxystilbene, 13). These prenyl acceptors gave the following reaction products:
     (a) 5-dimethylallyl-1,6-DHN;   (b) 1-dimethylallyl-2,7-DHN;   (c) no reaction products detected;   (d) no reaction products detected;   (e) 6-dimethylallyl-naringenin;   (f) 2-dimethylallyl-olivetol and 4-dimethylallyl-olivetol, and   (g) 4-dimethylallyl-resveratrol.   

     Example 13 
     Biosynthesis of Hybrid Isoprenoids from Marine Actinomycetes 
     With the PTases Orf2 and HypSc in hand, additional actinomycete PTases with different substrate specificities can be identified. To this end, a group of marine actinomycetes that produce assorted hybrid isoprenoid natural products was compiled (see  FIG. 1B , Table 4). 
     
       
         
           
               
             
               
                 TABLE 4 
               
             
            
               
                   
               
               
                 Hybrid isoprenoid-producing actinomycetes 
               
            
           
           
               
               
               
               
               
            
               
                 Strain 
                 natural product 
                 attachment 
                 isoprene 
                 arom. substrate 
               
               
                   
               
               
                 S. sp. CL190 
                 naphterpin 
                 C 
                 GPP 
                 hydroxynaphthalene 
               
               
                 CNB632 
                 marinone + analogs 
                 C 
                 FPP 
                 hydroxynaphthalene 
               
               
                 CNH099 
                 marinone 
                 C 
                 FPP 
                 hydroxynaphthalene 
               
               
                   
                 neomarinone 
                 C 
                 FPP 
                 hydroxynaphthalene 
               
               
                   
                 lavanducyanin 
                 N 
                 GPP 
                 phenazine 
               
               
                 CNQ525 
                 Q525.518 
                 C × 2 
                 DMAPP/GPP 
                 hydroxynaphthalene 
               
               
                 CNQ509 
                 Q509.364 
                 O 
                 GPP 
                 phenazine 
               
               
                   
                 Q509.366 
                 C 
                 FPP 
                 nitropyrrole 
               
               
                 
                   S. purpeofuscus 
                 
                 aestivophoenins 
                 N and C 
                 DMAPP 
                 phenazine 
               
               
                   
               
            
           
         
       
     
     Strain CNH099 produces three isoprenoid chemotypes, namely the farnesylated naphterpin analog marinone, the rearranged derivative neomarinone and the phenazine lavanducyanin. Feeding experiments with labeled precursors delineated the biosynthetic course for these metabolites. The biosynthesis of the naphthoquinone core common amongst the marinones must proceed through a symmetrical pentaketide intermediate such as THN to satisfy the observed labeling patterns. Flaviolin, a known auto-oxidation product of THN, either directly or methylated at C10 via S-adenosyl methionine may serve as an intermediate in neomarinone biosynthesis. FPP, derived from the MEP pathway, provides the sesquiterpenoid side chain. Prenylation may occur directly via C-prenylation though attachment of C3 of FPP or indirectly via O-prenylation of the C5 or C7-hydroxy groups of flaviolin followed by Claisen rearrangement to yield the same furan intermediate. Proton assisted cyclization of the linear diene following Wagner-Meerwein rearrangements yields neomarinone. 
     A preliminary search for the respective biosynthetic gene clusters allows the generation of a cosmid library in the  E. coli - Streptomyces  shuttle cosmid pOJ446, the development of a genetics system in this strain for homologous recombination involving the  E. coli  to CNH099 conjugal transfer of pKC1139-based temperature-sensitive plasmids, and the sequence analysis of genes encoding THN and phenazine biosynthesis. Additionally a pOJ446 cosmid library of the aestivophoenin producer  Streptomyces purpeofuscus  has been prepared. This information is useful for the identification and cloning of novel aromatic PTases. 
     Example 14 
     X-Ray Crystallographic Structures of Orf2 Complexed to Geranylated Products 
     The reaction products of Orf2 incubated with GPP and 1,6-DHN and naringenin, respectively, have been identified as trans-5-geranyl 1,6-DHN/trans-2-geranyl 1,6-DHN and 6-geranyl naringenin/7-O-geranyl naringenin, respectively (see  FIG. 2B ). Large scale production of these compounds can be carried out in vitro using 500 uL reaction volumes in the assay buffer described herein and incorporating 20-50 mM GPP and 20-50 mM 1,6-DHN or (2S)-naringenin. Incubations can be carried out overnight and a sample of the resultant solution analyzed by HPLC-MS to assess the product yield and extent of reaction. Multiple reactions can be combined (approximately 5-10 individual reactions), extracted two times with equal volumes of ethyl acetate each time, the combined organic extracts dried down, then dissolved in a minimal amount of methanol followed by injection on an HPLC and purified on a preparative reverse phase column. Purified products can then be characterized. Purified trans-5-geranyl 1,6-DHN, trans-2-geranyl 1,6-DHN, 6-geranyl naringenin, and 7-O-geranyl naringenin can be dissolved in 100% ethanol or methanol to near saturation (approximately 100-200 mM). Each of the four Orf2 product complexes can be prepared employing co-crystallization and soaking strategies. To ensure the maximal occupancy of the product in Orf2 crystals, both co-crystallization and soaking approaches employ a grid whereby the concentrations of the respective products is varied between 5 and 25 mM. 
     Example 15 
     Creating an Orf2 Mutant Capable of Efficient Use of DMAPP and Elucidate its Three Dimensional Structure in the Presence of DMASPP and 1,6-DHN 
     In order to further define prenyl diphosphate chain length selectivity, molecular determinants of aromatic substrate recognition and divalent cation dependence, homology modeling of CloQ, NovQ and HypSc sequences were carried out using the three dimensional coordinates of Orf2 as a structural template ( FIG. 6 ). While the degree of active site residue correspondence is consistent with the homology models discussed above, small differences in key active site residues may explain the shorter prenyl chain length specificity of CloQ/NovQ and the differences in aromatic substrate selectivity. In addition, the homology model of a newly identified PTase from  Streptomyces coelicolor , HypSc, lead to the biochemical characterization of HypSc as a DMAPP-specific, Mg 2+ -independent PTase. Prenyl chain length dependence in Orf2 can be evaluated in a variety of ways. One approach involves the generation of a limited set of site directed mutants based upon the initial homology models of CloQ/NovQ and HypSc shown in  FIG. 6 . An alternate approach involves the generation of several 1024 member mutant libraries of all possible amino acid permutations derived from the comparative analysis of Orf2 with either HypSc or CloQ/NovQ and centered around the geranyl binding site mapped previously. 
     The first set of Orf2 mutants can be constructed using a traditional QuickChange protocol. Specifically, a Trp residue (residue 115 in CloQ/NovQ and residue 117 in HypSc) replaces Tyr 121 in Orf2. The increased bulkiness of the indole ring in HypSc/CloQ/NovQ compared to the phenolic ring in Orf2 may better accommodate the shorter C5 prenyl chain of DMAPP. In addition, in HypSc/CloQ/NovQ, Arg and Glu residues replace Ser 64 and Gly 286, respectively in Orf2 (residues 59 and 274 in CloQ/NovQ and residues 61 and 274 in HypSc). This apparent salt bridge in the DMAPP-specific PTases sits poised over the location of the second C5 isoprene unit of the GPP molecule. Notably, this change in the homology model of HypSc lead to the biochemical characterization of this newly discovered  S. coelicolor  enzyme as a DMAPP specific PTase, This rather directed approach towards enzyme engineering minimizes the potential influence of neighboring residues towards prenyl chain length determination. If this mutagenic strategy fails to significantly alter Orf2&#39;s prenyl chain length specificity, a larger library of mutant Orf2s can be prepared employing the SCOPE approach described in Example 17. 
     Comparative homology modeling used to initially select residues for further functional examination is performed with the package Modeller-4 using Orf2 as a structural template. As new sequences are identified, additional models can be constructed. For each sequence, five different models are calculated and evaluated. The multiple sequence alignment is then modified by hand based on the superposition of the Orf2 structure with the individual models. Modeller-4 is then re-run and the iteratively generated models visually inspected and adjusted again if necessary. Model quality is assessed with PROCHECK. 
     Example 16 
     Development of a Quantitative PTase Kinetic Assay 
     To determine the steady state kinetic parameters for PTases, a radiometric TLC assay can be employed. The typical reaction buffer contemplated for use consists of 50 mM HEPES (pH 7.5), 0.1-10 mM aromatic acceptor, 0.1-5 mM [ 14 C]-DMAPP, [ 14 C]-GPP or [ 14 C]-FPP (New England Nuclear), 5 mM MgCl 2  in a final volume of 20 μl. The reaction is initiated by adding 10 ng-5 μg of PTase to the assay mixture. Enzyme concentration ranges can be selected to achieve the optimal PTase concentration obeying Michaelis-Menten kinetics. Incubations can be carried out and 4-6 time points collected in triplicate over an initial time range of 1-120 minutes. Reactions can be quenched with ethyl acetate. Extracts can be evaporated to dryness, re-dissolved in methanol, and applied to Whatman LK6D silica TLC plates. The TLC plate can be developed with a chloroform/methanol (20:1) solvent mixture. Aromatic reaction products can be detected at 254 nm or by autoradiography using imaging plates. Products can be quantified by scraping sections of the TLC plate into Ecolume scintillation fluid, detecting [ 14 C]-radioactivity with a scintillation counter, and converting the corrected cpm into nmoles of product using the final specific radioactivity of [ 14 C]-DMAPP, [ 14 C]-GPP or [ 14 C]-FPP. Kinetic constants can be determined from initial velocity measurements, in which product formation is linear over the time periods monitored (up to two hours for low activity PTases or mutants thereof). Given the fact that two substrates are employed, K M  values for the prenyl donor are established using saturating concentrations of aromatic acceptor (typically 50 mM) and K M  values for the aromatic acceptors are established using saturating concentrations of prenyl donors, typically 50 mM. In order to reach 50 mM prenyl donor, the radioactive sample is diluted to 50 mM using cold DMAPP, GPP or FPP and corrections for dilution applied as appropriate. 
     Example 17 
     A Rapid UPLC-MS-Based Qualitative Assay to Monitor Prenyl Group Transfer 
     An efficient analysis technique is desirable to serve as a qualitative (or semi-quantitative) assay for prenylation reactions. Specifically, biosynthetic transformations to be monitored include the prenylation (via IPP, GPP and FPP) of both natural and unnatural substrates for wild-type as well as mutant PTase. Efficiency for such an assay is defined in terms of speed, resolution and sensitivity. The assay must accommodate large numbers of samples (high-throughput) for evaluating the several 1024 mutant libraries and must provide analysis on low volume (sub milliliter) reaction volumes (given the number of reactions and the associated costs for reagents). In addition to screening these enzymes and enzyme libraries against natural substrates with a selection of isoprenoid diphosphates, screening may also be desirable with respect to various unnatural substrates designed to probe the structure-to-reactivity relationships governing regio-specific prenylation of chemical building blocks. Finally, given the established promiscuity of Orf2 and its ability to generate multiple products, the assay must also resolve and identify multiple prenylated species per reaction. 
     Given these requirements, Ultra Performance Liquid Chromatography coupled with ESCi Mass Spectroscopy (UPLC-MS) has been identified as a suitable technique to satisfy the above described assay needs. Briefly, UPLC is a recent advancement in separations technology. The new 1.7 μm particle technology coupled with operating pressures approaching 15,000 psi results in gains of 1.7× in resolution, 3× in speed and 1.7× in sensitivity versus standard HPLC using 5 μm particles when column lengths are normalized. However, the greatest benefit of this technology is realized when normalizing resolution (L/dp); here the gains are 1× in resolution, 9× in speed and 3× in sensitivity versus traditional HPLC 5 μm particles. These significant gains in speed and sensitivity are very beneficial for achieving a qualitative assay. 
     An additional benefit of this platform stems from the 500% reduction in time for methods development. Preferably, the experiments are carried out using micro-well plates (96 or 384-well format) where the PTases, isoprenoid diphosphate, and aromatic substrate are sequentially added from stock solutions and mixed. Libraries of mutant enzymes are conveniently purified in parallel using small scale (5-10 ml) cultures and an automated Qiagen robot for the parallel purification of histidine-tagged proteins. Following the optimal reaction time, the reactions are quenched and loaded into the UPLC sample organizer/manager for assay. The target operating parameters include LC run times &lt;5 min. (run times as short as 1 min. may be attainable) and direct injection of the quenched reaction mixtures to eliminate sample loss issues. If direct injection is not feasible for high-throughput, an extraction step using a less polar organic solvent can be included, and then sample can be taken directly from the top layer of the reaction well, even while covered to address any evaporation and subsequent sample concentration issues. 
     Finally, product detection can be achieved via diode array UV detection triggering MS acquisition. Because injection volumes as low as 0.1 μl are possible, and retention times are so short, total volumes of &lt;5 ml/sample are run directly through the ESCi MS assuring all peaks are detected. With the parent ion information, the identification of prenylated products will be facile. The Mass Lynx data management system permits the automation of data analysis, quickly identifying peaks of interest by predefining product mass tables. 
     Example 18 
     Structure Elucidation 
     Large scale in vitro reactions and whole cell fermentations can be directly analyzed on a Waters 600 HPLC or a Agilent 1100 HPLC equipped with photodiode array detection (PDA), auto-sampling and fraction collection. Separations are achieved using a YMC ODS-AQ 4.6×150 mm reversed-phase column with a linear solvent gradient of 0.15% TFA in water to methanol over 30 min at a flow rate of 0.5 ml/min. Alternatively, the samples are first extracted with ethyl acetate, dried over MgSO 4 , filtered, dried, and redissolved in methanol for analysis. When possible, chromatographic peaks are identified by co-injection with authentic standards. Automated screening will be carried out on a Waters Acquity UPLC equipped with PDA detection and an in-line MicroMass ZQ ESCi (combination APCI-ESI) Mass Spectrometer for low resolution mass analysis. Isolation of pure constituents are carried out with pre-fractionated samples a 20×250 mm YMC pack ODS-A HPLC column that can operate at a flow rate of up to 10 ml/min. 
     Structures of pure metabolites can be elucidated by 1D and 2D-NMR spectroscopy on Bruker DRX-300 and DRX-600 spectrometers, or on a Varian Unity Inova 500 Spectrometer. Proton and carbon assignments can be obtained from COSY, HSQC, HMBC, and nOe spectral data. Homonuclear  1 H connectivities can be determined by the phase-sensitive, double-quantum filtered COSY experiment. One-bond heteronuclear  1 H- 13 C connectivities can be determined by gradient-enhanced proton-detected HSQC experiments. Two- and three-bond  1 H- 13 C connectivities can be determined by gradient-enhanced proton-detected HMBC experiments. Homonuclear  1 H nOe&#39;s can be obtained by difference nOe experiments and by two-dimensional ROESY experiments to generate relative stereochemistry while the absolute stereochemistry of new compounds can often be achieved through the modified Mosher analytical method or single crystal X-ray analysis. When appropriate, biosynthetic intermediates labeled with stable isotopes (such as sodium [1,2- 13 C 2 ]acetate or [U- 13 C 6 ]glucose) can be administered to the cultures to aid in analog identification through the  13 C INADEQUATE or related experiment. High-resolution mass determination can be performed by TOF-ESI (TSRI Mass Spectroscopy Laboratory) or FAB. Additional characterization techniques include Polarimetry (Perkin-Elmer 341 Polarimeter) and Fourier-Transform Infrared Spectroscopy (Nicolet 4700 FT-IR). 
     While the invention has been described in detail with reference to certain preferred embodiments thereof, it will be understood that modifications and variations are within the spirit and scope of that which is described and claimed. 
     APPENDIX 1 
     
       
         
           
               
             
               
                   
               
             
            
               
                 PROGRAM:   CNS 1.1 
               
               
                 AUTHORS:   BRUNGER, ADAMS, CLORE, DELANO, GROS, GROSSE-KUNSTLEVE, JIANG, 
               
               
                   KUSZEWSKI, NILGES, PANNU, READ, RICE, SIMONSON, WARREN 
               
            
           
           
               
               
               
            
               
                 DATA USED IN REFINEMENT. 
                   
                   
               
               
                   RESOLUTION RANGE HIGH 
                 (ANGSTROMS): 
                 1.95 
               
               
                   RESOLUTION RANGE LOW 
                 (ANGSTROMS): 
                  29.74 
               
               
                   DATA CUTOFF 
                 (SIGMA(F)): 
                 0.0 
               
               
                   DATA CUTOFF HIGH 
                 (ABS(F)): 
                  1386159.12 
               
               
                   DATA CUTOFF LOW 
                 (ABS(F)): 
                   0.000000 
               
               
                   COMPLETENESS (WORKING + TEST) 
                 (%): 
                 99.4 
               
               
                   NUMBER OF REFLECTIONS 
                 : 
                 22923 
               
            
           
           
               
               
               
            
               
                 FIT TO DATA USED IN REFINEMENT. 
                   
                   
               
               
                   CROSS-VALIDATION METHOD 
                 : 
                 THROUGHOUT 
               
               
                   FREE R VALUE TEST SET SELECTION 
                 : 
                 RANDOM 
               
               
                   R VALUE 
                 (WORKING SET): 
                 0.241 
               
               
                   FREE R VALUE 
                 : 
                 0.271 
               
               
                   FREE R VALUE TEST SET SIZE 
                 (%): 
                  5.0 
               
               
                   FREE R VALUE TEST SET COUNT 
                 : 
                  1154 
               
               
                   ESTIMATED ERROR OF FREE R VALUE 
                 : 
                 0.008 
               
            
           
           
               
               
               
            
               
                 FIT IN THE HIGHEST RESOLUTION BIN. 
                   
                   
               
               
                   TOTAL NUMBER OF BINS USED 
                 : 
                   6 
               
               
                   BIN RESOLUTION RANGE HIGH 
                 (A): 
                 1.95 
               
               
                   BIN RESOLUTION RANGE LOW 
                 (A): 
                 2.07 
               
               
                   BIN COMPLETENESS 
                 (WORKING + TEST)  (%): 
                 99.7 
               
               
                   REFLECTIONS IN BIN 
                 (WORKING SET): 
                  3569 
               
               
                   BIN R VALUE 
                 (WORKING SET): 
                 0.352 
               
               
                   BIN FREE R VALUE 
                 : 
                 0.386 
               
               
                   BIN FREE R VALUE TEST SET SIZE 
                 (%): 
                  4.9 
               
               
                   BIN FREE R VALUE TEST SET COUNT 
                 : 
                   184 
               
               
                   ESTIMATED ERROR OF BIN FREE R VALUE 
                 : 
                 0.028 
               
            
           
           
               
            
               
                 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. 
               
            
           
           
               
               
               
            
               
                   PROTEIN ATOMS 
                 : 
                 0 
               
               
                   NUCLEIC ACID ATOMS 
                 : 
                 0 
               
               
                   HETEROGEN ATOMS 
                 : 
                 0 
               
               
                   SOLVENT ATOMS 
                 : 
                 0 
               
            
           
           
               
               
               
            
               
                 B VALUES. 
                   
                   
               
               
                   FROM WILSON PLOT 
                 (A**2): 
                 25.5 
               
               
                   MEAN B VALUE 
                 (OVERALL, A**2): 
                 43.5 
               
               
                   OVERALL ANISOTROPIC B VALUE. 
               
            
           
           
               
            
               
                   B11 (A**2):  −3.35 
               
               
                   B22 (A**2): −13.96 
               
               
                   B33 (A**2):  17.30 
               
               
                   B12 (A**2):  0.00 
               
               
                   B13 (A**2):  0.00 
               
               
                   B23 (A**2):  0.00 
               
               
                 BULK SOLVENT MODELING. 
               
            
           
           
               
               
               
            
               
                   METHOD USED 
                 : 
                 FLAT MODEL 
               
               
                   KSOL 
                 : 
                 0.355809 
               
               
                   BSOL 
                 : 
                 42.5443 (A**2) 
               
            
           
           
               
            
               
                 ESTIMATED COORDINATE ERROR. 
               
            
           
           
               
               
               
            
               
                   ESD FROM LUZZATI PLOT 
                 (A): 
                 0.30 
               
               
                   ESD FROM SIGMAA  
                 (A): 
                 0.35 
               
               
                   LOW RESOLUTION CUTOFF 
                 (A): 
                 5.00 
               
            
           
           
               
            
               
                 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. 
               
            
           
           
               
               
               
            
               
                   ESD FROM C-V LUZZATI PLOT 
                 (A): 
                 0.35 
               
               
                   ESD FROM C-V SIGMAA 
                 (A): 
                 0.36 
               
            
           
           
               
            
               
                 RMS DEVIATIONS FROM IDEAL VALUES. 
               
            
           
           
               
               
               
            
               
                   BOND LENGTHS 
                 (A): 
                 0.006 
               
               
                   BOND ANGLES 
                 (DEGREES): 
                 1.2 
               
               
                   DIHEDRAL ANGLES 
                 (DEGREES): 
                 24.4 
               
               
                   IMPROPER ANGLES 
                 (DEGREES): 
                 0.89 
               
            
           
           
               
            
               
                 ISOTROPIC THERMAL MODEL: RESTRAINED 
               
            
           
           
               
               
               
            
               
                 ISOTROPIC THERMAL FACTOR RESTRAINTS. 
                 RMS 
                 SIGMA 
               
            
           
           
               
               
               
            
               
                   MAIN-CHAIN BOND 
                 (A**2) : 
                  NULL ; NULL 
               
               
                   MAIN-CHAIN ANGLE 
                 (A**2) : 
                  NULL ; NULL 
               
               
                   SIDE-CHAIN BOND 
                 (A**2) : 
                  NULL ; NULL 
               
            
           
           
               
               
               
            
               
                 SIDE-CHAIN ANGLE 
                 (A**2) : 
                  NULL ; NULL 
               
            
           
           
               
            
               
                 NCS MODEL: NONE 
               
            
           
           
               
               
               
            
               
                 NCS RESTRAINTS. 
                 RMS 
                 SIGMA/WEIGHT 
               
            
           
           
               
               
               
            
               
                   GROUP0  1  POSITIONAL 
                 (A) : 
                  NULL ; NULL 
               
               
                   GROUP  1  B-FACTOR 
                 (A**2) : 
                  NULL ; NULL 
               
            
           
           
               
               
               
            
               
                 PARAMETER FILE 1 
                 : 
                 CNS_TOPPAR/protein_rep.param 
               
               
                 PARAMETER FILE 2 
                 : 
                 CNS_TOPPAR/dna-rna_rep.param 
               
               
                 PARAMETER FILE 3 
                 : 
                 CNS_TOPPAR/water_rep.param 
               
               
                 PARAMETER FILE 4 
                 : 
                 CNS_TOPPAR/ion.param 
               
               
                 PARAMETER FILE 5 
                 : 
                 CNSPAR:gspp_dhn2_no3.param 
               
               
                 TOPOLOGY FILE 1 
                 : 
                 CNS_TOPPAR/protein.top 
               
               
                 TOPOLOGY FILE 2 
                 : 
                 CNS_TOPPAR/dna-rna.top 
               
               
                 TOPOLOGY FILE 3 
                 : 
                 CNS_TOPPAR/water.top 
               
               
                 TOPOLOGY FILE 4 
                 : 
                 CNS_TOPPAR/ion.top 
               
               
                 TOPOLOGY FILE 5 
                 : 
                 CNSPAR:gspp_dhn2_no3.top 
               
            
           
           
               
            
               
                 OTHER REFINEMENT REMARKS: NULL 
               
            
           
           
               
               
               
               
               
               
               
               
               
               
               
               
               
               
               
               
               
            
               
                 SEQRES 
                 1 
                 A 
                 514 
                 GLU 
                 ALA 
                 ALA 
                 ASP 
                 VAL 
                 GLU 
                 ARG 
                 VAL 
                 TYR 
                 ALA 
                 ALA 
                 MET 
                 GLU 
               
               
                 SEQRES 
                 2 
                 A 
                 514 
                 GLU 
                 ALA 
                 ALA 
                 GLY 
                 LEU 
                 LEU 
                 GLY 
                 VAL 
                 ALA 
                 CYS 
                 ALA 
                 ARG 
                 ASP 
               
               
                 SEQRES 
                 3 
                 A 
                 514 
                 LYS 
                 ILE 
                 TYR 
                 PRO 
                 LEU 
                 LEU 
                 SER 
                 THR 
                 PHE 
                 GLN 
                 ASP 
                 THR 
                 LEU 
               
               
                 SEQRES 
                 4 
                 A 
                 514 
                 VAL 
                 GLU 
                 GLY 
                 GLY 
                 SER 
                 VAL 
                 VAL 
                 VAL 
                 PHE 
                 SER 
                 MET 
                 ALA 
                 SER 
               
               
                 SEQRES 
                 5 
                 A 
                 514 
                 GLY 
                 ARG 
                 HIS 
                 SER 
                 THR 
                 GLU 
                 LEU 
                 ASP 
                 PHE 
                 SER 
                 ILE 
                 SER 
                 VAL 
               
               
                 SEQRES 
                 6 
                 A 
                 514 
                 PRO 
                 THR 
                 SER 
                 HIS 
                 GLY 
                 ASP 
                 PRO 
                 TYR 
                 ALA 
                 THR 
                 VAL 
                 VAL 
                 GLU 
               
               
                 SEQRES 
                 7 
                 A 
                 514 
                 LYS 
                 GLY 
                 LEU 
                 PHE 
                 PRO 
                 ALA 
                 THR 
                 GLY 
                 HIS 
                 PRO 
                 VAL 
                 ASP 
                 ASP 
               
               
                 SEQRES 
                 8 
                 A 
                 514 
                 LEU 
                 LEU 
                 ALA 
                 ASP 
                 THR 
                 GLN 
                 LYS 
                 HIS 
                 LEU 
                 PRO 
                 VAL 
                 SER 
                 MET 
               
               
                 SEQRES 
                 9 
                 A 
                 514 
                 PHE 
                 ALA 
                 ILE 
                 ASP 
                 GLY 
                 GLU 
                 VAL 
                 THR 
                 GLY 
                 GLY 
                 PHE 
                 LYS 
                 LYS 
               
               
                 SEQRES 
                 10 
                 A 
                 514 
                 THR 
                 TYR 
                 ALA 
                 PHE 
                 PHE 
                 PRO 
                 THR 
                 ASP 
                 ASN 
                 MET 
                 PRO 
                 GLY 
                 VAL 
               
               
                 SEQRES 
                 11 
                 A 
                 514 
                 ALA 
                 GLU 
                 LEU 
                 SER 
                 ALA 
                 ILE 
                 PRO 
                 SER 
                 MET 
                 PRO 
                 PRO 
                 ALA 
                 VAL 
               
               
                 SEQRES 
                 12 
                 A 
                 514 
                 ALA 
                 GLU 
                 ASN 
                 ALA 
                 GLU 
                 LEU 
                 PHE 
                 ALA 
                 ARG 
                 TYR 
                 GLY 
                 LEU 
                 ASP 
               
               
                 SEQRES 
                 13 
                 A 
                 514 
                 LYS 
                 VAL 
                 GLN 
                 MET 
                 THR 
                 SER 
                 MET 
                 ASP 
                 TYR 
                 LYS 
                 LYS 
                 ARG 
                 GLN 
               
               
                 SEQRES 
                 14 
                 A 
                 514 
                 VAL 
                 ASN 
                 LEU 
                 TYR 
                 PHE 
                 SER 
                 GLU 
                 LEU 
                 SER 
                 ALA 
                 GLN 
                 THR 
                 LEU 
               
               
                 SEQRES 
                 15 
                 A 
                 514 
                 GLU 
                 ALA 
                 GLU 
                 SER 
                 VAL 
                 LEU 
                 ALA 
                 LEU 
                 VAL 
                 ARG 
                 GLU 
                 LEU 
                 GLY 
               
               
                 SEQRES 
                 16 
                 A 
                 514 
                 LEU 
                 HIS 
                 VAL 
                 PRO 
                 ASN 
                 GLU 
                 LEU 
                 GLY 
                 LEU 
                 LYS 
                 PHE 
                 CYS 
                 LYS 
               
               
                 SEQRES 
                 17 
                 A 
                 514 
                 ARG 
                 SER 
                 PHE 
                 SER 
                 VAL 
                 TYR 
                 PRO 
                 THR 
                 LEU 
                 ASN 
                 TRP 
                 GLU 
                 THR 
               
               
                 SEQRES 
                 18 
                 A 
                 514 
                 GLY 
                 LYS 
                 ILE 
                 ASP 
                 ARG 
                 LEU 
                 CYS 
                 PHE 
                 ALA 
                 VAL 
                 ILE 
                 SER 
                 ASN 
               
               
                 SEQRES 
                 19 
                 A 
                 514 
                 ASP 
                 PRO 
                 THR 
                 LEU 
                 VAL 
                 PRO 
                 SER 
                 SER 
                 ASP 
                 GLU 
                 GLY 
                 ASP 
                 ILE 
               
               
                 SEQRES 
                 20 
                 A 
                 514 
                 GLU 
                 LYS 
                 PHE 
                 HIS 
                 ASN 
                 TYR 
                 ALA 
                 THR 
                 LYS 
                 ALA 
                 PRO 
                 TYR 
                 ALA 
               
               
                 SEQRES 
                 21 
                 A 
                 514 
                 TYR 
                 VAL 
                 GLY 
                 GLU 
                 LYS 
                 ARG 
                 THR 
                 LEU 
                 VAL 
                 TYR 
                 GLY 
                 LEU 
                 THR 
               
               
                 SEQRES 
                 22 
                 A 
                 514 
                 LEU 
                 SER 
                 PRO 
                 LYS 
                 GLU 
                 GLU 
                 TYR 
                 TYR 
                 LYS 
                 LEU 
                 GLY 
                 ALA 
                 TYR 
               
               
                 SEQRES 
                 23 
                 A 
                 514 
                 TYR 
                 HIS 
                 ILE 
                 THR 
                 ASP 
                 VAL 
                 GLN 
                 ARG 
                 GLY 
                 LEU 
                 LEU 
                 LYS 
                 ALA 
               
               
                 SEQRES 
                 24 
                 A 
                 514 
                 PHE 
                 ASP 
                 MG2 
                 GSP 
                 DH2 
                 NO3 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 25 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 26 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 27 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 28 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 29 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 30 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 31 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 32 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 33 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 34 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 35 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 36 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 37 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 38 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 39 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
               
                 SEQRES 
                 40 
                 A 
                 514 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
                 TIP 
               
            
           
           
               
            
               
                 CRYST1  71.319  90.243  47.513  90.00  90.00  90.00  P  21  21  2   4 
               
            
           
           
               
               
               
               
               
            
               
                 ORIGX1 
                 1.000000 
                 0.000000 
                 0.000000 
                 0.00000 
               
               
                 ORIGX2 
                 0.000000 
                 1.000000 
                 0.000000 
                 0.00000 
               
               
                 ORIGX3 
                 0.000000 
                 0.000000 
                 1.000000 
                 0.00000 
               
               
                 SCALE1 
                 0.014022 
                 0.000000 
                 0.000000 
                 0.00000 
               
               
                 SCALE2 
                 0.000000 
                 0.011081 
                 0.000000 
                 0.00000 
               
               
                 SCALE3 
                 0.000000 
                 0.000000 
                 0.021047 
                 0.00000 
               
            
           
           
               
               
               
               
               
               
               
               
               
               
               
               
            
               
                 ATOM 
                 1 
                 CB 
                 GLU 
                 A 
                 3 
                 34.602 
                 9.738 
                 21.871 
                 1.00 
                 67.30 
                 A 
               
               
                 ATOM 
                 2 
                 CG 
                 GLU 
                 A 
                 3 
                 34.388 
                 9.619 
                 23.371 
                 1.00 
                 67.06 
                 A 
               
               
                 ATOM 
                 3 
                 CD 
                 GLU 
                 A 
                 3 
                 35.148 
                 8.453 
                 23.975 
                 1.00 
                 66.81 
                 A 
               
               
                 ATOM 
                 4 
                 OE1 
                 GLU 
                 A 
                 3 
                 36.396 
                 8.490 
                 23.969 
                 1.00 
                 66.45 
                 A 
               
               
                 ATOM 
                 5 
                 OE2 
                 GLU 
                 A 
                 3 
                 34.497 
                 7.497 
                 24.449 
                 1.00 
                 66.55 
                 A 
               
               
                 ATOM 
                 6 
                 C 
                 GLU 
                 A 
                 3 
                 32.569 
                 8.406 
                 21.275 
                 1.00 
                 68.45 
                 A 
               
               
                 ATOM 
                 7 
                 O 
                 GLU 
                 A 
                 3 
                 31.776 
                 9.074 
                 20.608 
                 1.00 
                 68.75 
                 A 
               
               
                 ATOM 
                 8 
                 N 
                 GLU 
                 A 
                 3 
                 34.407 
                 8.713 
                 19.628 
                 1.00 
                 67.62 
                 A 
               
               
                 ATOM 
                 9 
                 CA 
                 GLU 
                 A 
                 3 
                 34.078 
                 8.542 
                 21.070 
                 1.00 
                 67.93 
                 A 
               
               
                 ATOM 
                 10 
                 N 
                 ALA 
                 A 
                 4 
                 32.177 
                 7.535 
                 22.198 
                 1.00 
                 68.54 
                 A 
               
               
                 ATOM 
                 11 
                 CA 
                 ALA 
                 A 
                 4 
                 30.768 
                 7.318 
                 22.493 
                 1.00 
                 68.73 
                 A 
               
               
                 ATOM 
                 12 
                 CB 
                 ALA 
                 A 
                 4 
                 30.598 
                 6.047 
                 23.317 
                 1.00 
                 68.94 
                 A 
               
               
                 ATOM 
                 13 
                 C 
                 ALA 
                 A 
                 4 
                 30.212 
                 8.517 
                 23.257 
                 1.00 
                 69.02 
                 A 
               
               
                 ATOM 
                 14 
                 O 
                 ALA 
                 A 
                 4 
                 29.070 
                 8.927 
                 23.045 
                 1.00 
                 69.08 
                 A 
               
               
                 ATOM 
                 15 
                 N 
                 ALA 
                 A 
                 5 
                 31.036 
                 9.076 
                 24.139 
                 1.00 
                 68.87 
                 A 
               
               
                 ATOM 
                 16 
                 CA 
                 ALA 
                 A 
                 5 
                 30.649 
                 10.222 
                 24.953 
                 1.00 
                 67.96 
                 A 
               
               
                 ATOM 
                 17 
                 CB 
                 ALA 
                 A 
                 5 
                 31.752 
                 10.542 
                 25.956 
                 1.00 
                 67.47 
                 A 
               
               
                 ATOM 
                 18 
                 C 
                 ALA 
                 A 
                 5 
                 30.332 
                 11.458 
                 24.117 
                 1.00 
                 67.32 
                 A 
               
               
                 ATOM 
                 19 
                 O 
                 ALA 
                 A 
                 5 
                 29.330 
                 12.131 
                 24.356 
                 1.00 
                 67.46 
                 A 
               
               
                 ATOM 
                 20 
                 N 
                 ASP 
                 A 
                 6 
                 11.186 
                 11.762 
                 23.144 
                 1.00 
                 66.37 
                 A 
               
               
                 ATOM 
                 21 
                 CA 
                 ASP 
                 A 
                 6 
                 30.967 
                 12.927 
                 22.291 
                 1.00 
                 65.49 
                 A 
               
               
                 ATOM 
                 22 
                 CB 
                 ASP 
                 A 
                 6 
                 32.130 
                 13.117 
                 21.310 
                 1.00 
                 65.78 
                 A 
               
               
                 ATOM 
                 23 
                 CG 
                 ASP 
                 A 
                 6 
                 33.432 
                 13.479 
                 22.002 
                 1.00 
                 65.79 
                 A 
               
               
                 ATOM 
                 24 
                 OD1 
                 ASP 
                 A 
                 6 
                 33.412 
                 14.365 
                 22.887 
                 1.00 
                 65.52 
                 A 
               
               
                 ATOM 
                 25 
                 OD2 
                 ASP 
                 A 
                 6 
                 34.477 
                 12.887 
                 21.648 
                 1.00 
                 65.81 
                 A 
               
               
                 ATOM 
                 26 
                 C 
                 ASP 
                 A 
                 6 
                 29.667 
                 12.802 
                 21.506 
                 1.00 
                 64.46 
                 A 
               
               
                 ATOM 
                 27 
                 O 
                 ASP 
                 A 
                 6 
                 28.836 
                 13.710 
                 21.519 
                 1.00 
                 65.11 
                 A 
               
               
                 ATOM 
                 28 
                 N 
                 VAL 
                 A 
                 7 
                 29.493 
                 11.675 
                 20.824 
                 1.00 
                 63.25 
                 A 
               
               
                 ATOM 
                 29 
                 CA 
                 VAL 
                 A 
                 7 
                 28.292 
                 11.442 
                 20.031 
                 1.00 
                 61.69 
                 A 
               
               
                 ATOM 
                 30 
                 CB 
                 VAL 
                 A 
                 7 
                 28.331 
                 10.054 
                 19.351 
                 1.00 
                 60.95 
                 A 
               
               
                 ATOM 
                 31 
                 CG1 
                 VAL 
                 A 
                 7 
                 27.042 
                 9.815 
                 18.575 
                 1.00 
                 60.38 
                 A 
               
               
                 ATOM 
                 32 
                 CG2 
                 VAL 
                 A 
                 7 
                 29.530 
                 9.968 
                 18.423 
                 1.00 
                 60.39 
                 A 
               
               
                 ATOM 
                 33 
                 C 
                 VAL 
                 A 
                 7 
                 27.023 
                 11.547 
                 20.871 
                 1.00 
                 61.64 
                 A 
               
               
                 ATOM 
                 34 
                 O 
                 VAL 
                 A 
                 7 
                 26.055 
                 12.185 
                 20.458 
                 1.00 
                 61.60 
                 A 
               
               
                 ATOM 
                 35 
                 N 
                 GLU 
                 A 
                 8 
                 27.028 
                 10.919 
                 22.045 
                 1.00 
                 61.47 
                 A 
               
               
                 ATOM 
                 36 
                 CA 
                 GLU 
                 A 
                 8 
                 25.871 
                 10.953 
                 22.936 
                 1.00 
                 61.38 
                 A 
               
               
                 ATOM 
                 37 
                 CB 
                 GLU 
                 A 
                 8 
                 26.031 
                 9.939 
                 24.076 
                 1.00 
                 63.51 
                 A 
               
               
                 ATOM 
                 38 
                 CG 
                 GLU 
                 A 
                 8 
                 25.959 
                 8.480 
                 23.639 
                 1.00 
                 67.51 
                 A 
               
               
                 ATOM 
                 39 
                 CD 
                 GLU 
                 A 
                 8 
                 26.050 
                 7.504 
                 24.805 
                 1.00 
                 70.62 
                 A 
               
               
                 ATOM 
                 40 
                 OE1 
                 GLU 
                 A 
                 8 
                 25.181 
                 7.560 
                 25.706 
                 1.00 
                 71.88 
                 A 
               
               
                 ATOM 
                 41 
                 OE2 
                 GLU 
                 A 
                 8 
                 26.990 
                 6.678 
                 24.819 
                 1.00 
                 72.29 
                 A 
               
               
                 ATOM 
                 42 
                 C 
                 GLU 
                 A 
                 8 
                 25.662 
                 12.345 
                 23.523 
                 1.00 
                 59.87 
                 A 
               
               
                 ATOM 
                 43 
                 O 
                 GLU 
                 A 
                 8 
                 24.531 
                 12.748 
                 23.787 
                 1.00 
                 59.59 
                 A 
               
               
                 ATOM 
                 44 
                 N 
                 ARG 
                 A 
                 9 
                 26.755 
                 13.072 
                 23.729 
                 1.00 
                 58.71 
                 A 
               
               
                 ATOM 
                 45 
                 CA 
                 ARG 
                 A 
                 9 
                 26.681 
                 14.418 
                 24.285 
                 1.00 
                 57.97 
                 A 
               
               
                 ATOM 
                 46 
                 CB 
                 ARG 
                 A 
                 9 
                 28.077 
                 14.907 
                 24.679 
                 1.00 
                 57.94 
                 A 
               
               
                 ATOM 
                 47 
                 CG 
                 ARG 
                 A 
                 9 
                 28.108 
                 16.329 
                 25.214 
                 1.00 
                 58.66 
                 A 
               
               
                 ATOM 
                 48 
                 CD 
                 ARG 
                 A 
                 9 
                 29.481 
                 16.687 
                 25.761 
                 1.00 
                 59.63 
                 A 
               
               
                 ATOM 
                 49 
                 NE 
                 ARG 
                 A 
                 9 
                 30.534 
                 16.601 
                 24.752 
                 1.00 
                 60.75 
                 A 
               
               
                 ATOM 
                 50 
                 CZ 
                 ARG 
                 A 
                 9 
                 30.662 
                 17.435 
                 23.724 
                 1.00 
                 60.72 
                 A 
               
               
                 ATOM 
                 51 
                 NH1 
                 ARG 
                 A 
                 9 
                 29.798 
                 18.430 
                 23.561 
                 1.00 
                 59.60 
                 A 
               
               
                 ATOM 
                 52 
                 NH2 
                 ARG 
                 A 
                 9 
                 31.659 
                 17.277 
                 22.861 
                 1.00 
                 60.10 
                 A 
               
               
                 ATOM 
                 53 
                 C 
                 ARG 
                 A 
                 9 
                 26.054 
                 15.381 
                 23.281 
                 1.00 
                 57.24 
                 A 
               
               
                 ATOM 
                 54 
                 O 
                 ARG 
                 A 
                 9 
                 25.192 
                 16.184 
                 23.634 
                 1.00 
                 56.91 
                 A 
               
               
                 ATOM 
                 55 
                 N 
                 VAL 
                 A 
                 10 
                 26.488 
                 15.298 
                 22.029 
                 1.00 
                 56.17 
                 A 
               
               
                 ATOM 
                 56 
                 CA 
                 VAL 
                 A 
                 10 
                 25.948 
                 16.163 
                 20.989 
                 1.00 
                 54.31 
                 A 
               
               
                 ATOM 
                 57 
                 CB 
                 VAL 
                 A 
                 10 
                 26.769 
                 16.052 
                 19.688 
                 1.00 
                 54.27 
                 A 
               
               
                 ATOM 
                 58 
                 CG1 
                 VAL 
                 A 
                 10 
                 26.041 
                 16.741 
                 18.542 
                 1.00 
                 54.08 
                 A 
               
               
                 ATOM 
                 59 
                 CG2 
                 VAL 
                 A 
                 10 
                 28.130 
                 16.691 
                 19.891 
                 1.00 
                 53.91 
                 A 
               
               
                 ATOM 
                 60 
                 C 
                 VAL 
                 A 
                 10 
                 24.488 
                 15.828 
                 20.700 
                 1.00 
                 53.68 
                 A 
               
               
                 ATOM 
                 61 
                 O 
                 VAL 
                 A 
                 10 
                 23.661 
                 16.725 
                 20.541 
                 1.00 
                 53.84 
                 A 
               
               
                 ATOM 
                 62 
                 N 
                 TYR 
                 A 
                 11 
                 24.163 
                 14.542 
                 20.636 
                 1.00 
                 52.98 
                 A 
               
               
                 ATOM 
                 63 
                 CA 
                 TYR 
                 A 
                 11 
                 22.786 
                 14.147 
                 20.370 
                 1.00 
                 52.80 
                 A 
               
               
                 ATOM 
                 64 
                 CB 
                 TYR 
                 A 
                 11 
                 22.683 
                 12.631 
                 20.169 
                 1.00 
                 52.32 
                 A 
               
               
                 ATOM 
                 65 
                 CG 
                 TYR 
                 A 
                 11 
                 21.290 
                 12.169 
                 19.791 
                 1.00 
                 51.40 
                 A 
               
               
                 ATOM 
                 66 
                 CD1 
                 TYR 
                 A 
                 11 
                 20.788 
                 12.376 
                 18.506 
                 1.00 
                 51.32 
                 A 
               
               
                 ATOM 
                 67 
                 CE1 
                 TYR 
                 A 
                 11 
                 19.488 
                 11.996 
                 18.169 
                 1.00 
                 51.46 
                 A 
               
               
                 ATOM 
                 68 
                 CD2 
                 TYR 
                 A 
                 11 
                 20.457 
                 11.567 
                 20.732 
                 1.00 
                 50.53 
                 A 
               
               
                 ATOM 
                 69 
                 CE2 
                 TYR 
                 A 
                 11 
                 19.158 
                 11.186 
                 20.408 
                 1.00 
                 50.55 
                 A 
               
               
                 ATOM 
                 70 
                 CZ 
                 TYR 
                 A 
                 11 
                 18.678 
                 11.403 
                 19.128 
                 1.00 
                 51.02 
                 A 
               
               
                 ATOM 
                 71 
                 OH 
                 TYR 
                 A 
                 11 
                 17.387 
                 11.042 
                 18.814 
                 1.00 
                 51.32 
                 A 
               
               
                 ATOM 
                 72 
                 C 
                 TYR 
                 A 
                 11 
                 21.882 
                 14.570 
                 21.528 
                 1.00 
                 53.23 
                 A 
               
               
                 ATOM 
                 73 
                 O 
                 TYR 
                 A 
                 11 
                 20.705 
                 14.869 
                 21.332 
                 1.00 
                 52.82 
                 A 
               
               
                 ATOM 
                 74 
                 N 
                 ALA 
                 A 
                 12 
                 22.440 
                 14.592 
                 22.735 
                 1.00 
                 53.71 
                 A 
               
               
                 ATOM 
                 75 
                 CA 
                 ALA 
                 A 
                 12 
                 21.681 
                 14.979 
                 23.923 
                 1.00 
                 53.92 
                 A 
               
               
                 ATOM 
                 76 
                 CB 
                 ALA 
                 A 
                 12 
                 22.515 
                 14.745 
                 25.179 
                 1.00 
                 54.54 
                 A 
               
               
                 ATOM 
                 77 
                 C 
                 ALA 
                 A 
                 12 
                 21.297 
                 16.447 
                 23.822 
                 1.00 
                 53.28 
                 A 
               
               
                 ATOM 
                 78 
                 O 
                 ALA 
                 A 
                 12 
                 20.151 
                 16.826 
                 24.073 
                 1.00 
                 53.07 
                 A 
               
               
                 ATOM 
                 79 
                 N 
                 ALA 
                 A 
                 13 
                 22.273 
                 17.267 
                 23.454 
                 1.00 
                 53.23 
                 A 
               
               
                 ATOM 
                 80 
                 CA 
                 ALA 
                 A 
                 13 
                 22.062 
                 18.697 
                 23.305 
                 1.00 
                 52.67 
                 A 
               
               
                 ATOM 
                 81 
                 CB 
                 ALA 
                 A 
                 13 
                 23.382 
                 19.385 
                 23.012 
                 1.00 
                 52.66 
                 A 
               
               
                 ATOM 
                 82 
                 C 
                 ALA 
                 A 
                 13 
                 21.083 
                 18.947 
                 22.170 
                 1.00 
                 52.84 
                 A 
               
               
                 ATOM 
                 83 
                 O 
                 ALA 
                 A 
                 13 
                 20.266 
                 19.865 
                 22.239 
                 1.00 
                 53.13 
                 A 
               
               
                 ATOM 
                 84 
                 N 
                 MET 
                 A 
                 14 
                 21.164 
                 18.115 
                 21.134 
                 1.00 
                 52.38 
                 A 
               
               
                 ATOM 
                 85 
                 CA 
                 MET 
                 A 
                 14 
                 20.295 
                 18.248 
                 19.973 
                 1.00 
                 53.03 
                 A 
               
               
                 ATOM 
                 86 
                 CB 
                 MET 
                 A 
                 14 
                 20.715 
                 17.257 
                 18.882 
                 1.00 
                 51.89 
                 A 
               
               
                 ATOM 
                 87 
                 CG 
                 MET 
                 A 
                 14 
                 20.349 
                 17.708 
                 17.474 
                 1.00 
                 51.33 
                 A 
               
               
                 ATOM 
                 88 
                 SD 
                 MET 
                 A 
                 14 
                 20.752 
                 16.499 
                 16.197 
                 1.00 
                 51.22 
                 A 
               
               
                 ATOM 
                 89 
                 CE 
                 MET 
                 A 
                 14 
                 22.491 
                 16.786 
                 15.974 
                 1.00 
                 49.08 
                 A 
               
               
                 ATOM 
                 90 
                 C 
                 MET 
                 A 
                 14 
                 18.824 
                 18.042 
                 20.333 
                 1.00 
                 53.97 
                 A 
               
               
                 ATOM 
                 91 
                 O 
                 MET 
                 A 
                 14 
                 17.975 
                 18.844 
                 19.960 
                 1.00 
                 54.01 
                 A 
               
               
                 ATOM 
                 92 
                 N 
                 GLU 
                 A 
                 15 
                 18.517 
                 16.967 
                 21.053 
                 1.00 
                 55.62 
                 A 
               
               
                 ATOM 
                 93 
                 CA 
                 GLU 
                 A 
                 15 
                 17.135 
                 16.710 
                 21.450 
                 1.00 
                 57.23 
                 A 
               
               
                 ATOM 
                 94 
                 CB 
                 GLU 
                 A 
                 15 
                 17.037 
                 15.420 
                 22.257 
                 1.00 
                 58.42 
                 A 
               
               
                 ATOM 
                 95 
                 CG 
                 GLU 
                 A 
                 15 
                 17.273 
                 14.154 
                 21.472 
                 1.00 
                 59.79 
                 A 
               
               
                 ATOM 
                 96 
                 CD 
                 GLU 
                 A 
                 15 
                 17.036 
                 12.922 
                 22.317 
                 1.00 
                 60.46 
                 A 
               
               
                 ATOM 
                 97 
                 OE1 
                 GLU 
                 A 
                 15 
                 17.775 
                 12.731 
                 23.307 
                 1.00 
                 60.40 
                 A 
               
               
                 ATOM 
                 98 
                 OE2 
                 GLU 
                 A 
                 15 
                 16.106 
                 12.152 
                 21.995 
                 1.00 
                 61.48 
                 A 
               
               
                 ATOM 
                 99 
                 C 
                 GLU 
                 A 
                 15 
                 16.621 
                 17.862 
                 22.307 
                 1.00 
                 57.68 
                 A 
               
               
                 ATOM 
                 100 
                 O 
                 GLU 
                 A 
                 15 
                 15.477 
                 18.298 
                 22.171 
                 1.00 
                 57.72 
                 A 
               
               
                 ATOM 
                 101 
                 N 
                 GLU 
                 A 
                 16 
                 17.482 
                 18.340 
                 23.201 
                 1.00 
                 58.40 
                 A 
               
               
                 ATOM 
                 102 
                 CA 
                 GLU 
                 A 
                 16 
                 17.151 
                 19.442 
                 24.094 
                 1.00 
                 59.28 
                 A 
               
               
                 ATOM 
                 103 
                 CB 
                 GLU 
                 A 
                 16 
                 18.354 
                 19.746 
                 24.993 
                 1.00 
                 60.79 
                 A 
               
               
                 ATOM 
                 104 
                 CG 
                 GLU 
                 A 
                 16 
                 18.104 
                 20.769 
                 26.090 
                 1.00 
                 63.28 
                 A 
               
               
                 ATOM 
                 105 
                 CD 
                 GLU 
                 A 
                 16 
                 19.295 
                 20.904 
                 27.027 
                 1.00 
                 65.30 
                 A 
               
               
                 ATOM 
                 106 
                 OE1 
                 GLU 
                 A 
                 16 
                 19.675 
                 19.886 
                 27.644 
                 1.00 
                 66.30 
                 A 
               
               
                 ATOM 
                 107 
                 OE2 
                 GLU 
                 A 
                 16 
                 19.853 
                 22.019 
                 27.143 
                 1.00 
                 66.14 
                 A 
               
               
                 ATOM 
                 108 
                 C 
                 GLU 
                 A 
                 16 
                 16.780 
                 20.673 
                 23.268 
                 1.00 
                 58.94 
                 A 
               
               
                 ATOM 
                 109 
                 O 
                 GLU 
                 A 
                 16 
                 15.718 
                 21.272 
                 23.461 
                 1.00 
                 58.58 
                 A 
               
               
                 ATOM 
                 110 
                 N 
                 ALA 
                 A 
                 17 
                 17.661 
                 21.041 
                 22.342 
                 1.00 
                 58.27 
                 A 
               
               
                 ATOM 
                 111 
                 CA 
                 ALA 
                 A 
                 17 
                 17.422 
                 22.188 
                 21.480 
                 1.00 
                 56.94 
                 A 
               
               
                 ATOM 
                 112 
                 CB 
                 ALA 
                 A 
                 17 
                 18.559 
                 22.336 
                 20.484 
                 1.00 
                 57.55 
                 A 
               
               
                 ATOM 
                 113 
                 C 
                 ALA 
                 A 
                 17 
                 16.105 
                 21.985 
                 20.748 
                 1.00 
                 56.33 
                 A 
               
               
                 ATOM 
                 114 
                 O 
                 ALA 
                 A 
                 17 
                 15.275 
                 22.888 
                 20.676 
                 1.00 
                 56.73 
                 A 
               
               
                 ATOM 
                 115 
                 N 
                 ALA 
                 A 
                 18 
                 15.917 
                 20.787 
                 20.208 
                 1.00 
                 55.47 
                 A 
               
               
                 ATOM 
                 116 
                 CA 
                 ALA 
                 A 
                 18 
                 14.697 
                 20.466 
                 19.486 
                 1.00 
                 54.97 
                 A 
               
               
                 ATOM 
                 117 
                 CB 
                 ALA 
                 A 
                 18 
                 14.796 
                 19.072 
                 18.885 
                 1.00 
                 54.31 
                 A 
               
               
                 ATOM 
                 118 
                 C 
                 ALA 
                 A 
                 18 
                 13.511 
                 20.545 
                 20.439 
                 1.00 
                 55.41 
                 A 
               
               
                 ATOM 
                 119 
                 O 
                 ALA 
                 A 
                 18 
                 12.408 
                 20.920 
                 20.041 
                 1.00 
                 54.89 
                 A 
               
               
                 ATOM 
                 120 
                 N 
                 GLY 
                 A 
                 19 
                 13.749 
                 20.186 
                 21.698 
                 1.00 
                 55.81 
                 A 
               
               
                 ATOM 
                 121 
                 CA 
                 GLY 
                 A 
                 19 
                 12.693 
                 20.225 
                 22.690 
                 1.00 
                 56.15 
                 A 
               
               
                 ATOM 
                 122 
                 C 
                 GLY 
                 A 
                 19 
                 12.109 
                 21.617 
                 22.812 
                 1.00 
                 56.43 
                 A 
               
               
                 ATOM 
                 123 
                 O 
                 GLY 
                 A 
                 19 
                 10.896 
                 21.800 
                 22.726 
                 1.00 
                 57.40 
                 A 
               
               
                 ATOM 
                 124 
                 N 
                 LEU 
                 A 
                 20 
                 12.976 
                 22.603 
                 23.011 
                 1.00 
                 56.49 
                 A 
               
               
                 ATOM 
                 125 
                 CA 
                 LEU 
                 A 
                 20 
                 12.538 
                 23.985 
                 23.139 
                 1.00 
                 57.06 
                 A 
               
               
                 ATOM 
                 126 
                 CB 
                 LEU 
                 A 
                 20 
                 13.747 
                 24.925 
                 23.087 
                 1.00 
                 57.40 
                 A 
               
               
                 ATOM 
                 127 
                 CG 
                 LEU 
                 A 
                 20 
                 14.770 
                 24.808 
                 24.223 
                 1.00 
                 56.87 
                 A 
               
               
                 ATOM 
                 128 
                 CD1 
                 LEU 
                 A 
                 20 
                 15.963 
                 25.704 
                 23.942 
                 1.00 
                 57.07 
                 A 
               
               
                 ATOM 
                 129 
                 CD2 
                 LEU 
                 A 
                 20 
                 14.116 
                 25.196 
                 25.538 
                 1.00 
                 57.91 
                 A 
               
               
                 ATOM 
                 130 
                 C 
                 LEU 
                 A 
                 20 
                 11.546 
                 24.355 
                 22.038 
                 1.00 
                 57.57 
                 A 
               
               
                 ATOM 
                 131 
                 O 
                 LEU 
                 A 
                 20 
                 10.574 
                 25.069 
                 22.281 
                 1.00 
                 58.18 
                 A 
               
               
                 ATOM 
                 132 
                 N 
                 LEU 
                 A 
                 21 
                 11.786 
                 23.853 
                 20.829 
                 1.00 
                 58.02 
                 A 
               
               
                 ATOM 
                 133 
                 CA 
                 LEU 
                 A 
                 21 
                 10.916 
                 24.145 
                 19.694 
                 1.00 
                 57.66 
                 A 
               
               
                 ATOM 
                 134 
                 CB 
                 LEU 
                 A 
                 21 
                 11.729 
                 24.134 
                 18.399 
                 1.00 
                 58.07 
                 A 
               
               
                 ATOM 
                 135 
                 CG 
                 LEU 
                 A 
                 21 
                 12.849 
                 25.173 
                 18.313 
                 1.00 
                 58.73 
                 A 
               
               
                 ATOM 
                 136 
                 CD1 
                 LEU 
                 A 
                 21 
                 13.711 
                 24.888 
                 17.097 
                 1.00 
                 59.17 
                 A 
               
               
                 ATOM 
                 137 
                 CD2 
                 LEU 
                 A 
                 21 
                 12.252 
                 26.572 
                 18.245 
                 1.00 
                 59.02 
                 A 
               
               
                 ATOM 
                 138 
                 C 
                 LEU 
                 A 
                 21 
                 9.749 
                 23.172 
                 19.565 
                 1.00 
                 57.77 
                 A 
               
               
                 ATOM 
                 139 
                 O 
                 LEU 
                 A 
                 21 
                 8.904 
                 23.320 
                 18.681 
                 1.00 
                 57.50 
                 A 
               
               
                 ATOM 
                 140 
                 N 
                 GLY 
                 A 
                 22 
                 9.702 
                 22.177 
                 20.443 
                 1.00 
                 57.54 
                 A 
               
               
                 ATOM 
                 141 
                 CA 
                 GLY 
                 A 
                 22 
                 8.628 
                 21.206 
                 20.386 
                 1.00 
                 56.71 
                 A 
               
               
                 ATOM 
                 142 
                 C 
                 GLY 
                 A 
                 22 
                 8.716 
                 20.353 
                 19.136 
                 1.00 
                 56.49 
                 A 
               
               
                 ATOM 
                 143 
                 O 
                 GLY 
                 A 
                 22 
                 7.701 
                 19.951 
                 18.564 
                 1.00 
                 55.99 
                 A 
               
               
                 ATOM 
                 144 
                 N 
                 VAL 
                 A 
                 23 
                 9.943 
                 20.081 
                 18.707 
                 1.00 
                 56.46 
                 A 
               
               
                 ATOM 
                 145 
                 CA 
                 VAL 
                 A 
                 23 
                 10.177 
                 19.267 
                 17.525 
                 1.00 
                 56.41 
                 A 
               
               
                 ATOM 
                 146 
                 CB 
                 VAL 
                 A 
                 23 
                 11.229 
                 19.921 
                 16.603 
                 1.00 
                 56.91 
                 A 
               
               
                 ATOM 
                 147 
                 CG1 
                 VAL 
                 A 
                 23 
                 11.383 
                 19.104 
                 15.325 
                 1.00 
                 57.54 
                 A 
               
               
                 ATOM 
                 148 
                 CG2 
                 VAL 
                 A 
                 23 
                 10.819 
                 21.353 
                 16.279 
                 1.00 
                 56.70 
                 A 
               
               
                 ATOM 
                 149 
                 C 
                 VAL 
                 A 
                 23 
                 10.682 
                 17.897 
                 17.967 
                 1.00 
                 56.54 
                 A 
               
               
                 ATOM 
                 150 
                 O 
                 VAL 
                 A 
                 23 
                 11.404 
                 17.785 
                 18.958 
                 1.00 
                 56.02 
                 A 
               
               
                 ATOM 
                 151 
                 N 
                 ALA 
                 A 
                 24 
                 10.300 
                 16.859 
                 17.231 
                 1.00 
                 56.63 
                 A 
               
               
                 ATOM 
                 152 
                 CA 
                 ALA 
                 A 
                 24 
                 10.708 
                 15.498 
                 17.557 
                 1.00 
                 56.80 
                 A 
               
               
                 ATOM 
                 153 
                 CB 
                 ALA 
                 A 
                 24 
                 9.568 
                 14.535 
                 17.267 
                 1.00 
                 55.99 
                 A 
               
               
                 ATOM 
                 154 
                 C 
                 ALA 
                 A 
                 24 
                 11.949 
                 15.079 
                 16.780 
                 1.00 
                 57.61 
                 A 
               
               
                 ATOM 
                 155 
                 O 
                 ALA 
                 A 
                 24 
                 12.082 
                 15.386 
                 15.593 
                 1.00 
                 58.66 
                 A 
               
               
                 ATOM 
                 156 
                 N 
                 CYS 
                 A 
                 25 
                 12.857 
                 14.380 
                 17.453 
                 1.00 
                 57.65 
                 A 
               
               
                 ATOM 
                 157 
                 CA 
                 CYS 
                 A 
                 25 
                 14.081 
                 13.911 
                 16.817 
                 1.00 
                 58.14 
                 A 
               
               
                 ATOM 
                 158 
                 CB 
                 CYS 
                 A 
                 25 
                 15.257 
                 14.002 
                 17.783 
                 1.00 
                 57.35 
                 A 
               
               
                 ATOM 
                 159 
                 SG 
                 CYS 
                 A 
                 25 
                 15.899 
                 15.659 
                 17.971 
                 1.00 
                 61.13 
                 A 
               
               
                 ATOM 
                 160 
                 C 
                 CYS 
                 A 
                 25 
                 13.949 
                 12.480 
                 16.323 
                 1.00 
                 57.86 
                 A 
               
               
                 ATOM 
                 161 
                 O 
                 CYS 
                 A 
                 25 
                 13.127 
                 11.714 
                 16.824 
                 1.00 
                 58.16 
                 A 
               
               
                 ATOM 
                 162 
                 N 
                 ALA 
                 A 
                 26 
                 14.768 
                 12.131 
                 15.336 
                 1.00 
                 57.41 
                 A 
               
               
                 ATOM 
                 163 
                 CA 
                 ALA 
                 A 
                 26 
                 14.765 
                 10.793 
                 14.759 
                 1.00 
                 57.03 
                 A 
               
               
                 ATOM 
                 164 
                 CB 
                 ALA 
                 A 
                 26 
                 14.318 
                 10.854 
                 13.301 
                 1.00 
                 58.04 
                 A 
               
               
                 ATOM 
                 165 
                 C 
                 ALA 
                 A 
                 26 
                 16.166 
                 10.208 
                 14.854 
                 1.00 
                 56.71 
                 A 
               
               
                 ATOM 
                 166 
                 O 
                 ALA 
                 A 
                 26 
                 17.007 
                 10.454 
                 13.994 
                 1.00 
                 55.93 
                 A 
               
               
                 ATOM 
                 167 
                 N 
                 ARG 
                 A 
                 27 
                 16.404 
                 9.431 
                 15.905 
                 1.00 
                 57.35 
                 A 
               
               
                 ATOM 
                 168 
                 CA 
                 ARG 
                 A 
                 27 
                 17.703 
                 8.811 
                 16.139 
                 1.00 
                 57.63 
                 A 
               
               
                 ATOM 
                 169 
                 CB 
                 ARG 
                 A 
                 27 
                 17.622 
                 7.860 
                 17.332 
                 1.00 
                 58.97 
                 A 
               
               
                 ATOM 
                 170 
                 CG 
                 ARG 
                 A 
                 27 
                 18.978 
                 7.432 
                 17.852 
                 1.00 
                 60.53 
                 A 
               
               
                 ATOM 
                 171 
                 CD 
                 ARG 
                 A 
                 27 
                 19.022 
                 7.413 
                 19.371 
                 1.00 
                 61.60 
                 A 
               
               
                 ATOM 
                 172 
                 NE 
                 ARG 
                 A 
                 27 
                 20.387 
                 7.220 
                 19.851 
                 1.00 
                 62.55 
                 A 
               
               
                 ATOM 
                 173 
                 CZ 
                 ARG 
                 A 
                 27 
                 21.098 
                 6.119 
                 19.629 
                 1.00 
                 62.39 
                 A 
               
               
                 ATOM 
                 174 
                 NH1 
                 ARG 
                 A 
                 27 
                 20.571 
                 5.121 
                 18.934 
                 1.00 
                 63.03 
                 A 
               
               
                 ATOM 
                 175 
                 NH2 
                 ARG 
                 A 
                 27 
                 22.330 
                 6.013 
                 20.106 
                 1.00 
                 63.44 
                 A 
               
               
                 ATOM 
                 176 
                 C 
                 ARG 
                 A 
                 27 
                 18.215 
                 8.045 
                 14.926 
                 1.00 
                 57.62 
                 A 
               
               
                 ATOM 
                 177 
                 O 
                 ARG 
                 A 
                 27 
                 19.418 
                 8.009 
                 14.667 
                 1.00 
                 57.59 
                 A 
               
               
                 ATOM 
                 178 
                 N 
                 ASP 
                 A 
                 28 
                 17.293 
                 7.427 
                 14.193 
                 1.00 
                 57.67 
                 A 
               
               
                 ATOM 
                 179 
                 CA 
                 ASP 
                 A 
                 28 
                 17.634 
                 6.653 
                 13.004 
                 1.00 
                 58.11 
                 A 
               
               
                 ATOM 
                 180 
                 CB 
                 ASP 
                 A 
                 28 
                 16.369 
                 6.065 
                 12.381 
                 1.00 
                 60.19 
                 A 
               
               
                 ATOM 
                 181 
                 CG 
                 ASP 
                 A 
                 28 
                 15.645 
                 5.131 
                 13.316 
                 1.00 
                 62.69 
                 A 
               
               
                 ATOM 
                 182 
                 OD1 
                 ASP 
                 A 
                 28 
                 16.187 
                 4.040 
                 13.602 
                 1.00 
                 65.01 
                 A 
               
               
                 ATOM 
                 183 
                 OD2 
                 ASP 
                 A 
                 28 
                 14.535 
                 5.492 
                 13.769 
                 1.00 
                 63.34 
                 A 
               
               
                 ATOM 
                 184 
                 C 
                 ASP 
                 A 
                 28 
                 18.342 
                 7.495 
                 11.953 
                 1.00 
                 57.11 
                 A 
               
               
                 ATOM 
                 185 
                 O 
                 ASP 
                 A 
                 28 
                 19.248 
                 7.019 
                 11.269 
                 1.00 
                 56.40 
                 A 
               
               
                 ATOM 
                 186 
                 N 
                 LYS 
                 A 
                 29 
                 17.922 
                 8.750 
                 11.830 
                 1.00 
                 56.47 
                 A 
               
               
                 ATOM 
                 187 
                 CA 
                 LYS 
                 A 
                 29 
                 18.494 
                 9.654 
                 10.843 
                 1.00 
                 55.04 
                 A 
               
               
                 ATOM 
                 188 
                 CB 
                 LYS 
                 A 
                 29 
                 17.375 
                 10.451 
                 10.172 
                 1.00 
                 55.10 
                 A 
               
               
                 ATOM 
                 189 
                 CG 
                 LYS 
                 A 
                 29 
                 16.244 
                 9.581 
                 9.662 
                 1.00 
                 56.13 
                 A 
               
               
                 ATOM 
                 190 
                 CD 
                 LYS 
                 A 
                 29 
                 15.225 
                 10.386 
                 8.886 
                 1.00 
                 57.94 
                 A 
               
               
                 ATOM 
                 191 
                 CE 
                 LYS 
                 A 
                 29 
                 14.082 
                 9.498 
                 8.434 
                 1.00 
                 58.81 
                 A 
               
               
                 ATOM 
                 192 
                 NZ 
                 LYS 
                 A 
                 29 
                 14.581 
                 8.276 
                 7.733 
                 1.00 
                 60.48 
                 A 
               
               
                 ATOM 
                 193 
                 C 
                 LYS 
                 A 
                 29 
                 19.531 
                 10.614 
                 11.411 
                 1.00 
                 54.01 
                 A 
               
               
                 ATOM 
                 194 
                 O 
                 LYS 
                 A 
                 29 
                 20.078 
                 11.439 
                 10.684 
                 1.00 
                 54.19 
                 A 
               
               
                 ATOM 
                 195 
                 N 
                 ILE 
                 A 
                 30 
                 19.809 
                 10.507 
                 12.704 
                 1.00 
                 52.40 
                 A 
               
               
                 ATOM 
                 196 
                 CA 
                 ILE 
                 A 
                 30 
                 20.782 
                 11.392 
                 13.323 
                 1.00 
                 51.39 
                 A 
               
               
                 ATOM 
                 197 
                 CB 
                 ILE 
                 A 
                 30 
                 20.170 
                 12.124 
                 14.533 
                 1.00 
                 51.07 
                 A 
               
               
                 ATOM 
                 198 
                 CG2 
                 ILE 
                 A 
                 30 
                 21.168 
                 13.122 
                 15.096 
                 1.00 
                 51.54 
                 A 
               
               
                 ATOM 
                 199 
                 CG1 
                 ILE 
                 A 
                 30 
                 18.887 
                 12.841 
                 14.115 
                 1.00 
                 49.68 
                 A 
               
               
                 ATOM 
                 200 
                 CD1 
                 ILE 
                 A 
                 30 
                 19.077 
                 13.829 
                 12.993 
                 1.00 
                 49.27 
                 A 
               
               
                 ATOM 
                 201 
                 C 
                 ILE 
                 A 
                 30 
                 22.048 
                 10.676 
                 13.781 
                 1.00 
                 51.27 
                 A 
               
               
                 ATOM 
                 202 
                 O 
                 ILE 
                 A 
                 30 
                 23.159 
                 11.111 
                 13.473 
                 1.00 
                 50.40 
                 A 
               
               
                 ATOM 
                 203 
                 N 
                 TYR 
                 A 
                 31 
                 21.878 
                 9.573 
                 14.507 
                 1.00 
                 51.61 
                 A 
               
               
                 ATOM 
                 204 
                 CA 
                 TYR 
                 A 
                 31 
                 23.018 
                 8.827 
                 15.030 
                 1.00 
                 52.03 
                 A 
               
               
                 ATOM 
                 205 
                 CB 
                 TYR 
                 A 
                 31 
                 22.544 
                 7.673 
                 15.918 
                 1.00 
                 54.81 
                 A 
               
               
                 ATOM 
                 206 
                 CG 
                 TYR 
                 A 
                 31 
                 23.178 
                 7.688 
                 17.296 
                 1.00 
                 58.36 
                 A 
               
               
                 ATOM 
                 207 
                 CD1 
                 TYR 
                 A 
                 31 
                 22.785 
                 8.624 
                 18.253 
                 1.00 
                 60.03 
                 A 
               
               
                 ATOM 
                 208 
                 CE1 
                 TYR 
                 A 
                 31 
                 23.381 
                 8.666 
                 19.514 
                 1.00 
                 61.40 
                 A 
               
               
                 ATOM 
                 209 
                 CD2 
                 TYR 
                 A 
                 31 
                 24.189 
                 6.788 
                 17.632 
                 1.00 
                 59.71 
                 A 
               
               
                 ATOM 
                 210 
                 CE2 
                 TYR 
                 A 
                 31 
                 24.795 
                 6.821 
                 18.891 
                 1.00 
                 61.71 
                 A 
               
               
                 ATOM 
                 211 
                 CZ 
                 TYR 
                 A 
                 31 
                 24.384 
                 7.762 
                 19.826 
                 1.00 
                 62.61 
                 A 
               
               
                 ATOM 
                 212 
                 OH 
                 TYR 
                 A 
                 31 
                 24.966 
                 7.797 
                 21.074 
                 1.00 
                 63.90 
                 A 
               
               
                 ATOM 
                 213 
                 C 
                 TYR 
                 A 
                 31 
                 23.995 
                 8.295 
                 13.989 
                 1.00 
                 50.42 
                 A 
               
               
                 ATOM 
                 214 
                 O 
                 TYR 
                 A 
                 31 
                 25.206 
                 8.452 
                 14.141 
                 1.00 
                 50.96 
                 A 
               
               
                 ATOM 
                 215 
                 N 
                 PRO 
                 A 
                 32 
                 23.490 
                 7.651 
                 12.921 
                 1.00 
                 49.99 
                 A 
               
               
                 ATOM 
                 216 
                 CD 
                 PRO 
                 A 
                 32 
                 22.091 
                 7.335 
                 12.584 
                 1.00 
                 49.46 
                 A 
               
               
                 ATOM 
                 217 
                 CA 
                 PRO 
                 A 
                 32 
                 24.401 
                 7.123 
                 11.898 
                 1.00 
                 49.18 
                 A 
               
               
                 ATOM 
                 218 
                 CB 
                 PRO 
                 A 
                 32 
                 23.449 
                 6.566 
                 10.841 
                 1.00 
                 48.74 
                 A 
               
               
                 ATOM 
                 219 
                 CG 
                 PRO 
                 A 
                 32 
                 22.256 
                 6.163 
                 11.646 
                 1.00 
                 49.30 
                 A 
               
               
                 ATOM 
                 220 
                 C 
                 PRO 
                 A 
                 32 
                 25.297 
                 8.222 
                 11.339 
                 1.00 
                 48.53 
                 A 
               
               
                 ATOM 
                 221 
                 O 
                 PRO 
                 A 
                 32 
                 26.458 
                 7.984 
                 10.993 
                 1.00 
                 48.53 
                 A 
               
               
                 ATOM 
                 222 
                 N 
                 LEU 
                 A 
                 33 
                 24.750 
                 9.430 
                 11.267 
                 1.00 
                 47.26 
                 A 
               
               
                 ATOM 
                 223 
                 CA 
                 LEU 
                 A 
                 33 
                 25.486 
                 10.570 
                 10.745 
                 1.00 
                 47.08 
                 A 
               
               
                 ATOM 
                 224 
                 CB 
                 LEU 
                 A 
                 33 
                 24.505 
                 11.679 
                 10.356 
                 1.00 
                 46.08 
                 A 
               
               
                 ATOM 
                 225 
                 CG 
                 LEU 
                 A 
                 33 
                 25.021 
                 12.774 
                 9.422 
                 1.00 
                 45.61 
                 A 
               
               
                 ATOM 
                 226 
                 CD1 
                 LEU 
                 A 
                 33 
                 25.592 
                 12.152 
                 8.156 
                 1.00 
                 44.68 
                 A 
               
               
                 ATOM 
                 227 
                 CD2 
                 LEU 
                 A 
                 33 
                 23.875 
                 13.720 
                 9.080 
                 1.00 
                 45.94 
                 A 
               
               
                 ATOM 
                 228 
                 C 
                 LEU 
                 A 
                 33 
                 26.517 
                 11.095 
                 11.745 
                 1.00 
                 46.98 
                 A 
               
               
                 ATOM 
                 229 
                 O 
                 LEU 
                 A 
                 33 
                 27.673 
                 11.314 
                 11.392 
                 1.00 
                 46.18 
                 A 
               
               
                 ATOM 
                 230 
                 N 
                 LEU 
                 A 
                 34 
                 26.104 
                 11.290 
                 12.993 
                 1.00 
                 47.69 
                 A 
               
               
                 ATOM 
                 231 
                 CA 
                 LEU 
                 A 
                 34 
                 27.019 
                 11.780 
                 14.021 
                 1.00 
                 49.32 
                 A 
               
               
                 ATOM 
                 232 
                 CB 
                 LEU 
                 A 
                 34 
                 26.276 
                 11.978 
                 15.348 
                 1.00 
                 49.84 
                 A 
               
               
                 ATOM 
                 233 
                 CG 
                 LEU 
                 A 
                 34 
                 25.193 
                 13.061 
                 15.415 
                 1.00 
                 50.05 
                 A 
               
               
                 ATOM 
                 234 
                 CD1 
                 LEU 
                 A 
                 34 
                 24.545 
                 13.051 
                 16.786 
                 1.00 
                 49.62 
                 A 
               
               
                 ATOM 
                 235 
                 CD2 
                 LEU 
                 A 
                 34 
                 25.806 
                 14.420 
                 15.136 
                 1.00 
                 50.80 
                 A 
               
               
                 ATOM 
                 236 
                 C 
                 LEU 
                 A 
                 34 
                 28.202 
                 10.825 
                 14.229 
                 1.00 
                 49.93 
                 A 
               
               
                 ATOM 
                 237 
                 O 
                 LEU 
                 A 
                 34 
                 29.333 
                 11.262 
                 14.445 
                 1.00 
                 50.30 
                 A 
               
               
                 ATOM 
                 238 
                 N 
                 SER 
                 A 
                 35 
                 27.936 
                 9.524 
                 14.167 
                 1.00 
                 50.31 
                 A 
               
               
                 ATOM 
                 239 
                 CA 
                 SER 
                 A 
                 35 
                 28.984 
                 8.525 
                 14.344 
                 1.00 
                 50.96 
                 A 
               
               
                 ATOM 
                 240 
                 CB 
                 SER 
                 A 
                 35 
                 28.395 
                 7.114 
                 14.318 
                 1.00 
                 51.84 
                 A 
               
               
                 ATOM 
                 241 
                 OG 
                 SER 
                 A 
                 35 
                 27.562 
                 6.890 
                 15.442 
                 1.00 
                 54.71 
                 A 
               
               
                 ATOM 
                 242 
                 C 
                 SER 
                 A 
                 35 
                 30.022 
                 8.652 
                 13.243 
                 1.00 
                 51.29 
                 A 
               
               
                 ATOM 
                 243 
                 O 
                 SER 
                 A 
                 35 
                 31.220 
                 8.738 
                 13.512 
                 1.00 
                 51.44 
                 A 
               
               
                 ATOM 
                 244 
                 N 
                 THR 
                 A 
                 36 
                 29.554 
                 8.669 
                 12.000 
                 1.00 
                 50.28 
                 A 
               
               
                 ATOM 
                 245 
                 CA 
                 THR 
                 A 
                 36 
                 30.444 
                 8.782 
                 10.855 
                 1.00 
                 49.52 
                 A 
               
               
                 ATOM 
                 246 
                 CB 
                 THR 
                 A 
                 36 
                 29.645 
                 8.980 
                 9.559 
                 1.00 
                 49.26 
                 A 
               
               
                 ATOM 
                 247 
                 OG1 
                 THR 
                 A 
                 36 
                 28.690 
                 7.923 
                 9.425 
                 1.00 
                 49.50 
                 A 
               
               
                 ATOM 
                 248 
                 CG2 
                 THR 
                 A 
                 36 
                 30.568 
                 8.968 
                 8.358 
                 1.00 
                 49.15 
                 A 
               
               
                 ATOM 
                 249 
                 C 
                 THR 
                 A 
                 36 
                 31.410 
                 9.950 
                 11.025 
                 1.00 
                 49.71 
                 A 
               
               
                 ATOM 
                 250 
                 O 
                 THR 
                 A 
                 36 
                 32.552 
                 9.893 
                 10.571 
                 1.00 
                 50.28 
                 A 
               
               
                 ATOM 
                 251 
                 N 
                 PHE 
                 A 
                 37 
                 30.956 
                 11.009 
                 11.689 
                 1.00 
                 49.29 
                 A 
               
               
                 ATOM 
                 252 
                 CA 
                 PHE 
                 A 
                 37 
                 31.807 
                 12.174 
                 11.891 
                 1.00 
                 48.84 
                 A 
               
               
                 ATOM 
                 253 
                 CB 
                 PHE 
                 A 
                 37 
                 31.146 
                 13.416 
                 11.284 
                 1.00 
                 46.61 
                 A 
               
               
                 ATOM 
                 254 
                 CG 
                 PHE 
                 A 
                 37 
                 30.934 
                 13.323 
                 9.799 
                 1.00 
                 43.07 
                 A 
               
               
                 ATOM 
                 255 
                 CD1 
                 PHE 
                 A 
                 37 
                 29.729 
                 12.873 
                 9.283 
                 1.00 
                 41.56 
                 A 
               
               
                 ATOM 
                 256 
                 CD2 
                 PHE 
                 A 
                 37 
                 31.957 
                 13.656 
                 8.920 
                 1.00 
                 39.81 
                 A 
               
               
                 ATOM 
                 257 
                 CE1 
                 PHE 
                 A 
                 37 
                 29.543 
                 12.754 
                 7.908 
                 1.00 
                 42.57 
                 A 
               
               
                 ATOM 
                 258 
                 CE2 
                 PHE 
                 A 
                 37 
                 31.785 
                 13.542 
                 7.549 
                 1.00 
                 41.01 
                 A 
               
               
                 ATOM 
                 259 
                 CZ 
                 PHE 
                 A 
                 37 
                 30.576 
                 13.090 
                 7.039 
                 1.00 
                 40.00 
                 A 
               
               
                 ATOM 
                 260 
                 C 
                 PHE 
                 A 
                 37 
                 32.136 
                 12.423 
                 13.359 
                 1.00 
                 50.82 
                 A 
               
               
                 ATOM 
                 261 
                 O 
                 PHE 
                 A 
                 37 
                 32.304 
                 13.568 
                 13.781 
                 1.00 
                 50.54 
                 A 
               
               
                 ATOM 
                 262 
                 N 
                 GLN 
                 A 
                 38 
                 32.246 
                 11.343 
                 14.128 
                 1.00 
                 52.93 
                 A 
               
               
                 ATOM 
                 263 
                 CA 
                 GLN 
                 A 
                 38 
                 32.543 
                 11.433 
                 15.557 
                 1.00 
                 54.33 
                 A 
               
               
                 ATOM 
                 264 
                 CB 
                 GLN 
                 A 
                 38 
                 32.543 
                 10.036 
                 16.180 
                 1.00 
                 55.97 
                 A 
               
               
                 ATOM 
                 265 
                 CG 
                 GLN 
                 A 
                 38 
                 33.536 
                 9.088 
                 15.535 
                 1.00 
                 58.11 
                 A 
               
               
                 ATOM 
                 266 
                 CD 
                 GLN 
                 A 
                 38 
                 33.584 
                 7.741 
                 16.221 
                 1.00 
                 59.72 
                 A 
               
               
                 ATOM 
                 267 
                 OE1 
                 GLN 
                 A 
                 38 
                 32.549 
                 7.124 
                 16.483 
                 1.00 
                 60.66 
                 A 
               
               
                 ATOM 
                 268 
                 NE2 
                 GLN 
                 A 
                 38 
                 34.790 
                 7.271 
                 16.510 
                 1.00 
                 60.33 
                 A 
               
               
                 ATOM 
                 269 
                 C 
                 GLN 
                 A 
                 38 
                 33.871 
                 12.113 
                 15.870 
                 1.00 
                 53.93 
                 A 
               
               
                 ATOM 
                 270 
                 O 
                 GLN 
                 A 
                 38 
                 33.990 
                 12.818 
                 16.868 
                 1.00 
                 53.58 
                 A 
               
               
                 ATOM 
                 271 
                 N 
                 ASP 
                 A 
                 39 
                 34.868 
                 11.901 
                 15.022 
                 1.00 
                 53.91 
                 A 
               
               
                 ATOM 
                 272 
                 CA 
                 ASP 
                 A 
                 39 
                 36.178 
                 12.495 
                 15.252 
                 1.00 
                 54.34 
                 A 
               
               
                 ATOM 
                 273 
                 CB 
                 ASP 
                 A 
                 39 
                 37.199 
                 11.935 
                 14.259 
                 1.00 
                 55.58 
                 A 
               
               
                 ATOM 
                 274 
                 CG 
                 ASP 
                 A 
                 39 
                 37.421 
                 10.443 
                 14.431 
                 1.00 
                 57.29 
                 A 
               
               
                 ATOM 
                 275 
                 OD1 
                 ASP 
                 A 
                 39 
                 37.553 
                 9.990 
                 15.587 
                 1.00 
                 57.11 
                 A 
               
               
                 ATOM 
                 276 
                 OD2 
                 ASP 
                 A 
                 39 
                 37.475 
                 9.724 
                 13.409 
                 1.00 
                 58.78 
                 A 
               
               
                 ATOM 
                 277 
                 C 
                 ASP 
                 A 
                 39 
                 36.188 
                 14.019 
                 15.186 
                 1.00 
                 54.75 
                 A 
               
               
                 ATOM 
                 278 
                 O 
                 ASP 
                 A 
                 39 
                 37.163 
                 14.653 
                 15.594 
                 1.00 
                 53.65 
                 A 
               
               
                 ATOM 
                 279 
                 N 
                 THR 
                 A 
                 40 
                 35.104 
                 14.608 
                 14.686 
                 1.00 
                 54.95 
                 A 
               
               
                 ATOM 
                 280 
                 CA 
                 THR 
                 A 
                 40 
                 35.019 
                 16.061 
                 14.569 
                 1.00 
                 55.03 
                 A 
               
               
                 ATOM 
                 281 
                 CB 
                 THR 
                 A 
                 40 
                 34.192 
                 16.487 
                 13.336 
                 1.00 
                 53.61 
                 A 
               
               
                 ATOM 
                 282 
                 OG1 
                 THR 
                 A 
                 40 
                 32.825 
                 16.109 
                 13.526 
                 1.00 
                 51.16 
                 A 
               
               
                 ATOM 
                 283 
                 CG2 
                 THR 
                 A 
                 40 
                 34.720 
                 15.833 
                 12.080 
                 1.00 
                 52.82 
                 A 
               
               
                 ATOM 
                 284 
                 C 
                 THR 
                 A 
                 40 
                 34.366 
                 16.707 
                 15.783 
                 1.00 
                 56.50 
                 A 
               
               
                 ATOM 
                 285 
                 O 
                 THR 
                 A 
                 40 
                 34.613 
                 17.876 
                 16.082 
                 1.00 
                 57.15 
                 A 
               
               
                 ATOM 
                 286 
                 N 
                 LEU 
                 A 
                 41 
                 33.536 
                 15.937 
                 16.478 
                 1.00 
                 57.42 
                 A 
               
               
                 ATOM 
                 287 
                 CA 
                 LEU 
                 A 
                 41 
                 32.803 
                 16.432 
                 17.639 
                 1.00 
                 58.80 
                 A 
               
               
                 ATOM 
                 288 
                 CB 
                 LEU 
                 A 
                 41 
                 31.702 
                 15.430 
                 18.004 
                 1.00 
                 57.63 
                 A 
               
               
                 ATOM 
                 289 
                 CG 
                 LEU 
                 A 
                 41 
                 30.761 
                 15.083 
                 16.844 
                 1.00 
                 56.86 
                 A 
               
               
                 ATOM 
                 290 
                 CD1 
                 LEU 
                 A 
                 41 
                 29.770 
                 14.018 
                 17.277 
                 1.00 
                 55.61 
                 A 
               
               
                 ATOM 
                 291 
                 CD2 
                 LEU 
                 A 
                 41 
                 30.039 
                 16.341 
                 16.378 
                 1.00 
                 56.19 
                 A 
               
               
                 ATOM 
                 292 
                 C 
                 LEU 
                 A 
                 41 
                 33.647 
                 16.751 
                 18.871 
                 1.00 
                 60.36 
                 A 
               
               
                 ATOM 
                 293 
                 O 
                 LEU 
                 A 
                 41 
                 33.108 
                 17.030 
                 19.942 
                 1.00 
                 60.30 
                 A 
               
               
                 ATOM 
                 294 
                 N 
                 VAL 
                 A 
                 42 
                 34.967 
                 16.725 
                 18.719 
                 1.00 
                 62.05 
                 A 
               
               
                 ATOM 
                 295 
                 CA 
                 VAL 
                 A 
                 42 
                 35.859 
                 17.015 
                 19.834 
                 1.00 
                 63.74 
                 A 
               
               
                 ATOM 
                 296 
                 CB 
                 VAL 
                 A 
                 42 
                 37.280 
                 16.494 
                 19.562 
                 1.00 
                 64.26 
                 A 
               
               
                 ATOM 
                 297 
                 CG1 
                 VAL 
                 A 
                 42 
                 38.190 
                 16.837 
                 20.733 
                 1.00 
                 65.42 
                 A 
               
               
                 ATOM 
                 298 
                 CG2 
                 VAL 
                 A 
                 42 
                 37.243 
                 14.990 
                 19.333 
                 1.00 
                 64.88 
                 A 
               
               
                 ATOM 
                 299 
                 C 
                 VAL 
                 A 
                 42 
                 35.942 
                 18.510 
                 20.126 
                 1.00 
                 64.12 
                 A 
               
               
                 ATOM 
                 300 
                 O 
                 VAL 
                 A 
                 42 
                 36.493 
                 19.277 
                 19.332 
                 1.00 
                 64.30 
                 A 
               
               
                 ATOM 
                 301 
                 N 
                 GLU 
                 A 
                 43 
                 35.398 
                 18.910 
                 21.273 
                 1.00 
                 64.21 
                 A 
               
               
                 ATOM 
                 302 
                 CA 
                 GLU 
                 A 
                 43 
                 35.403 
                 20.308 
                 21.694 
                 1.00 
                 64.09 
                 A 
               
               
                 ATOM 
                 303 
                 CB 
                 GLU 
                 A 
                 43 
                 35.025 
                 20.410 
                 23.175 
                 1.00 
                 65.49 
                 A 
               
               
                 ATOM 
                 304 
                 CG 
                 GLU 
                 A 
                 43 
                 33.621 
                 19.924 
                 23.503 
                 1.00 
                 68.00 
                 A 
               
               
                 ATOM 
                 305 
                 CD 
                 GLU 
                 A 
                 43 
                 33.338 
                 19.927 
                 24.997 
                 1.00 
                 69.13 
                 A 
               
               
                 ATOM 
                 306 
                 OE1 
                 GLU 
                 A 
                 43 
                 34.017 
                 19.180 
                 25.733 
                 1.00 
                 68.77 
                 A 
               
               
                 ATOM 
                 307 
                 OE2 
                 GLU 
                 A 
                 43 
                 32.440 
                 20.677 
                 25.436 
                 1.00 
                 70.84 
                 A 
               
               
                 ATOM 
                 308 
                 C 
                 GLU 
                 A 
                 43 
                 36.770 
                 20.955 
                 21.473 
                 1.00 
                 63.27 
                 A 
               
               
                 ATOM 
                 309 
                 O 
                 GLU 
                 A 
                 43 
                 37.795 
                 20.424 
                 21.901 
                 1.00 
                 63.43 
                 A 
               
               
                 ATOM 
                 310 
                 N 
                 GLY 
                 A 
                 44 
                 36.778 
                 22.102 
                 20.802 
                 1.00 
                 61.60 
                 A 
               
               
                 ATOM 
                 311 
                 CA 
                 GLY 
                 A 
                 44 
                 38.027 
                 22.792 
                 20.543 
                 1.00 
                 59.61 
                 A 
               
               
                 ATOM 
                 312 
                 C 
                 GLY 
                 A 
                 44 
                 38.003 
                 23.516 
                 19.215 
                 1.00 
                 58.39 
                 A 
               
               
                 ATOM 
                 313 
                 O 
                 GLY 
                 A 
                 44 
                 37.805 
                 24.730 
                 19.161 
                 1.00 
                 59.02 
                 A 
               
               
                 ATOM 
                 314 
                 N 
                 GLY 
                 A 
                 45 
                 38.219 
                 22.770 
                 18.138 
                 1.00 
                 56.07 
                 A 
               
               
                 ATOM 
                 315 
                 CA 
                 GLY 
                 A 
                 45 
                 38.201 
                 23.362 
                 16.816 
                 1.00 
                 54.08 
                 A 
               
               
                 ATOM 
                 316 
                 C 
                 GLY 
                 A 
                 45 
                 36.946 
                 22.906 
                 16.101 
                 1.00 
                 52.48 
                 A 
               
               
                 ATOM 
                 317 
                 O 
                 GLY 
                 A 
                 45 
                 36.914 
                 22.817 
                 14.879 
                 1.00 
                 52.24 
                 A 
               
               
                 ATOM 
                 318 
                 N 
                 SER 
                 A 
                 46 
                 35.911 
                 22.613 
                 16.883 
                 1.00 
                 51.11 
                 A 
               
               
                 ATOM 
                 319 
                 CA 
                 SER 
                 A 
                 46 
                 34.633 
                 22.152 
                 16.358 
                 1.00 
                 48.42 
                 A 
               
               
                 ATOM 
                 320 
                 CB 
                 SER 
                 A 
                 46 
                 34.175 
                 20.912 
                 17.122 
                 1.00 
                 48.98 
                 A 
               
               
                 ATOM 
                 321 
                 OG 
                 SER 
                 A 
                 46 
                 32.801 
                 20.655 
                 16.893 
                 1.00 
                 49.29 
                 A 
               
               
                 ATOM 
                 322 
                 C 
                 SER 
                 A 
                 46 
                 33.531 
                 23.203 
                 16.423 
                 1.00 
                 47.59 
                 A 
               
               
                 ATOM 
                 323 
                 O 
                 SER 
                 A 
                 46 
                 33.421 
                 23.960 
                 17.391 
                 1.00 
                 46.05 
                 A 
               
               
                 ATOM 
                 324 
                 N 
                 VAL 
                 A 
                 47 
                 32.711 
                 23.243 
                 15.380 
                 1.00 
                 45.49 
                 A 
               
               
                 ATOM 
                 325 
                 CA 
                 VAL 
                 A 
                 47 
                 31.605 
                 24.181 
                 15.326 
                 1.00 
                 42.26 
                 A 
               
               
                 ATOM 
                 326 
                 CB 
                 VAL 
                 A 
                 47 
                 31.764 
                 25.186 
                 14.164 
                 1.00 
                 41.88 
                 A 
               
               
                 ATOM 
                 327 
                 CG1 
                 VAL 
                 A 
                 47 
                 30.602 
                 26.174 
                 14.167 
                 1.00 
                 41.99 
                 A 
               
               
                 ATOM 
                 328 
                 CG2 
                 VAL 
                 A 
                 47 
                 33.079 
                 25.937 
                 14.295 
                 1.00 
                 41.85 
                 A 
               
               
                 ATOM 
                 329 
                 C 
                 VAL 
                 A 
                 47 
                 30.323 
                 23.390 
                 15.129 
                 1.00 
                 41.67 
                 A 
               
               
                 ATOM 
                 330 
                 O 
                 VAL 
                 A 
                 47 
                 30.199 
                 22.631 
                 14.171 
                 1.00 
                 42.19 
                 A 
               
               
                 ATOM 
                 331 
                 N 
                 VAL 
                 A 
                 48 
                 29.388 
                 23.536 
                 16.059 
                 1.00 
                 40.43 
                 A 
               
               
                 ATOM 
                 332 
                 CA 
                 VAL 
                 A 
                 48 
                 28.111 
                 22.849 
                 15.962 
                 1.00 
                 39.58 
                 A 
               
               
                 ATOM 
                 333 
                 CB 
                 VAL 
                 A 
                 48 
                 27.974 
                 21.711 
                 16.995 
                 1.00 
                 40.32 
                 A 
               
               
                 ATOM 
                 334 
                 CG1 
                 VAL 
                 A 
                 48 
                 26.527 
                 21.222 
                 17.041 
                 1.00 
                 39.82 
                 A 
               
               
                 ATOM 
                 335 
                 CG2 
                 VAL 
                 A 
                 48 
                 28.889 
                 20.553 
                 16.619 
                 1.00 
                 40.14 
                 A 
               
               
                 ATOM 
                 336 
                 C 
                 VAL 
                 A 
                 48 
                 27.012 
                 23.869 
                 16.197 
                 1.00 
                 39.83 
                 A 
               
               
                 ATOM 
                 337 
                 O 
                 VAL 
                 A 
                 48 
                 27.061 
                 24.636 
                 17.159 
                 1.00 
                 39.49 
                 A 
               
               
                 ATOM 
                 338 
                 N 
                 VAL 
                 A 
                 49 
                 26.023 
                 23.874 
                 15.308 
                 1.00 
                 39.22 
                 A 
               
               
                 ATOM 
                 339 
                 CA 
                 VAL 
                 A 
                 49 
                 24.914 
                 24.808 
                 15.393 
                 1.00 
                 38.77 
                 A 
               
               
                 ATOM 
                 340 
                 CB 
                 VAL 
                 A 
                 49 
                 24.974 
                 25.838 
                 14.235 
                 1.00 
                 38.65 
                 A 
               
               
                 ATOM 
                 341 
                 CG1 
                 VAL 
                 A 
                 49 
                 24.027 
                 26.994 
                 14.514 
                 1.00 
                 39.77 
                 A 
               
               
                 ATOM 
                 342 
                 CG2 
                 VAL 
                 A 
                 49 
                 26.394 
                 26.331 
                 14.047 
                 1.00 
                 37.33 
                 A 
               
               
                 ATOM 
                 343 
                 C 
                 VAL 
                 A 
                 49 
                 23.571 
                 24.092 
                 15.314 
                 1.00 
                 39.16 
                 A 
               
               
                 ATOM 
                 344 
                 O 
                 VAL 
                 A 
                 49 
                 23.427 
                 23.091 
                 14.611 
                 1.00 
                 39.92 
                 A 
               
               
                 ATOM 
                 345 
                 N 
                 PHE 
                 A 
                 50 
                 22.596 
                 24.601 
                 16.057 
                 1.00 
                 38.97 
                 A 
               
               
                 ATOM 
                 346 
                 CA 
                 PHE 
                 A 
                 50 
                 21.243 
                 24.061 
                 16.038 
                 1.00 
                 39.87 
                 A 
               
               
                 ATOM 
                 347 
                 CB 
                 PHE 
                 A 
                 50 
                 20.834 
                 23.575 
                 17.425 
                 1.00 
                 39.82 
                 A 
               
               
                 ATOM 
                 348 
                 CG 
                 PHE 
                 A 
                 50 
                 21.720 
                 22.493 
                 17.971 
                 1.00 
                 41.79 
                 A 
               
               
                 ATOM 
                 349 
                 CD1 
                 PHE 
                 A 
                 50 
                 22.076 
                 21.400 
                 17.182 
                 1.00 
                 42.66 
                 A 
               
               
                 ATOM 
                 350 
                 CD2 
                 PHE 
                 A 
                 50 
                 22.167 
                 22.544 
                 19.288 
                 1.00 
                 41.26 
                 A 
               
               
                 ATOM 
                 351 
                 CE1 
                 PHE 
                 A 
                 50 
                 22.864 
                 20.368 
                 17.699 
                 1.00 
                 43.88 
                 A 
               
               
                 ATOM 
                 352 
                 CE2 
                 PHE 
                 A 
                 50 
                 22.953 
                 21.520 
                 19.814 
                 1.00 
                 42.58 
                 A 
               
               
                 ATOM 
                 353 
                 CZ 
                 PHE 
                 A 
                 50 
                 23.302 
                 20.429 
                 19.019 
                 1.00 
                 41.73 
                 A 
               
               
                 ATOM 
                 354 
                 C 
                 PHE 
                 A 
                 50 
                 20.380 
                 25.242 
                 15.598 
                 1.00 
                 39.56 
                 A 
               
               
                 ATOM 
                 355 
                 O 
                 PHE 
                 A 
                 50 
                 20.261 
                 26.227 
                 16.320 
                 1.00 
                 38.63 
                 A 
               
               
                 ATOM 
                 356 
                 N 
                 SER 
                 A 
                 51 
                 19.772 
                 25.139 
                 14.419 
                 1.00 
                 39.59 
                 A 
               
               
                 ATOM 
                 357 
                 CA 
                 SER 
                 A 
                 51 
                 19.002 
                 26.256 
                 13.892 
                 1.00 
                 38.98 
                 A 
               
               
                 ATOM 
                 358 
                 CB 
                 SER 
                 A 
                 51 
                 19.631 
                 26.692 
                 12.571 
                 1.00 
                 39.41 
                 A 
               
               
                 ATOM 
                 359 
                 OG 
                 SER 
                 A 
                 51 
                 21.022 
                 26.893 
                 12.739 
                 1.00 
                 40.57 
                 A 
               
               
                 ATOM 
                 360 
                 C 
                 SER 
                 A 
                 51 
                 17.500 
                 26.086 
                 13.706 
                 1.00 
                 39.41 
                 A 
               
               
                 ATOM 
                 361 
                 O 
                 SER 
                 A 
                 51 
                 17.018 
                 25.037 
                 13.283 
                 1.00 
                 38.55 
                 A 
               
               
                 ATOM 
                 362 
                 N 
                 MET 
                 A 
                 52 
                 16.778 
                 27.163 
                 14.006 
                 1.00 
                 39.56 
                 A 
               
               
                 ATOM 
                 363 
                 CA 
                 MET 
                 A 
                 52 
                 15.326 
                 27.203 
                 13.904 
                 1.00 
                 41.09 
                 A 
               
               
                 ATOM 
                 364 
                 CB 
                 MET 
                 A 
                 52 
                 14.721 
                 27.612 
                 15.248 
                 1.00 
                 42.98 
                 A 
               
               
                 ATOM 
                 365 
                 CG 
                 MET 
                 A 
                 52 
                 14.952 
                 29.080 
                 15.553 
                 1.00 
                 44.79 
                 A 
               
               
                 ATOM 
                 366 
                 SD 
                 MET 
                 A 
                 52 
                 14.137 
                 29.694 
                 17.032 
                 1.00 
                 53.36 
                 A 
               
               
                 ATOM 
                 367 
                 CE 
                 MET 
                 A 
                 52 
                 12.461 
                 29.878 
                 16.420 
                 1.00 
                 50.19 
                 A 
               
               
                 ATOM 
                 368 
                 C 
                 MET 
                 A 
                 52 
                 14.948 
                 28.254 
                 12.867 
                 1.00 
                 39.86 
                 A 
               
               
                 ATOM 
                 369 
                 O 
                 MET 
                 A 
                 52 
                 15.736 
                 29.144 
                 12.577 
                 1.00 
                 37.96 
                 A 
               
               
                 ATOM 
                 370 
                 N 
                 ALA 
                 A 
                 53 
                 13.735 
                 28.155 
                 12.329 
                 1.00 
                 41.96 
                 A 
               
               
                 ATOM 
                 371 
                 CA 
                 ALA 
                 A 
                 53 
                 13.240 
                 29.115 
                 11.344 
                 1.00 
                 43.31 
                 A 
               
               
                 ATOM 
                 372 
                 CB 
                 ALA 
                 A 
                 53 
                 13.443 
                 28.583 
                 9.930 
                 1.00 
                 43.60 
                 A 
               
               
                 ATOM 
                 373 
                 C 
                 ALA 
                 A 
                 53 
                 11.757 
                 29.373 
                 11.605 
                 1.00 
                 44.82 
                 A 
               
               
                 ATOM 
                 374 
                 O 
                 ALA 
                 A 
                 53 
                 11.035 
                 28.486 
                 12.058 
                 1.00 
                 45.88 
                 A 
               
               
                 ATOM 
                 375 
                 N 
                 SER 
                 A 
                 54 
                 11.309 
                 30.588 
                 11.314 
                 1.00 
                 45.31 
                 A 
               
               
                 ATOM 
                 376 
                 CA 
                 SER 
                 A 
                 54 
                 9.920 
                 30.975 
                 11.536 
                 1.00 
                 46.31 
                 A 
               
               
                 ATOM 
                 377 
                 CB 
                 SER 
                 A 
                 54 
                 9.824 
                 32.490 
                 11.704 
                 1.00 
                 44.93 
                 A 
               
               
                 ATOM 
                 378 
                 OG 
                 SER 
                 A 
                 54 
                 9.947 
                 33.126 
                 10.439 
                 1.00 
                 42.54 
                 A 
               
               
                 ATOM 
                 379 
                 C 
                 SER 
                 A 
                 54 
                 8.992 
                 30.569 
                 10.402 
                 1.00 
                 47.54 
                 A 
               
               
                 ATOM 
                 380 
                 O 
                 SER 
                 A 
                 54 
                 9.417 
                 30.002 
                 9.398 
                 1.00 
                 47.54 
                 A 
               
               
                 ATOM 
                 381 
                 N 
                 GLY 
                 A 
                 55 
                 7.713 
                 30.889 
                 10.583 
                 1.00 
                 50.46 
                 A 
               
               
                 ATOM 
                 382 
                 CA 
                 GLY 
                 A 
                 55 
                 6.701 
                 30.596 
                 9.585 
                 1.00 
                 52.05 
                 A 
               
               
                 ATOM 
                 383 
                 C 
                 GLY 
                 A 
                 55 
                 6.526 
                 29.136 
                 9.219 
                 1.00 
                 52.73 
                 A 
               
               
                 ATOM 
                 384 
                 O 
                 GLY 
                 A 
                 55 
                 6.502 
                 28.256 
                 10.081 
                 1.00 
                 52.54 
                 A 
               
               
                 ATOM 
                 385 
                 N 
                 ARG 
                 A 
                 56 
                 6.399 
                 28.887 
                 7.922 
                 1.00 
                 53.50 
                 A 
               
               
                 ATOM 
                 386 
                 CA 
                 ARG 
                 A 
                 56 
                 6.206 
                 27.539 
                 7.408 
                 1.00 
                 54.78 
                 A 
               
               
                 ATOM 
                 387 
                 CB 
                 ARG 
                 A 
                 56 
                 5.885 
                 27.590 
                 5.911 
                 1.00 
                 55.54 
                 A 
               
               
                 ATOM 
                 388 
                 CG 
                 ARG 
                 A 
                 56 
                 7.112 
                 27.702 
                 5.021 
                 1.00 
                 55.10 
                 A 
               
               
                 ATOM 
                 389 
                 CD 
                 ARG 
                 A 
                 56 
                 6.731 
                 27.742 
                 3.551 
                 1.00 
                 56.42 
                 A 
               
               
                 ATOM 
                 390 
                 NE 
                 ARG 
                 A 
                 56 
                 7.892 
                 27.536 
                 2.690 
                 1.00 
                 58.46 
                 A 
               
               
                 ATOM 
                 391 
                 CZ 
                 ARG 
                 A 
                 56 
                 7.858 
                 27.590 
                 1.363 
                 1.00 
                 59.31 
                 A 
               
               
                 ATOM 
                 392 
                 NH1 
                 ARG 
                 A 
                 56 
                 6.718 
                 27.849 
                 0.737 
                 1.00 
                 59.88 
                 A 
               
               
                 ATOM 
                 393 
                 NH2 
                 ARG 
                 A 
                 56 
                 8.961 
                 27.375 
                 0.658 
                 1.00 
                 59.39 
                 A 
               
               
                 ATOM 
                 394 
                 C 
                 ARG 
                 A 
                 56 
                 7.438 
                 26.666 
                 7.626 
                 1.00 
                 54.74 
                 A 
               
               
                 ATOM 
                 395 
                 O 
                 ARG 
                 A 
                 56 
                 7.404 
                 25.464 
                 7.359 
                 1.00 
                 54.18 
                 A 
               
               
                 ATOM 
                 396 
                 N 
                 HIS 
                 A 
                 57 
                 8.522 
                 27.270 
                 8.105 
                 1.00 
                 54.51 
                 A 
               
               
                 ATOM 
                 397 
                 CA 
                 HIS 
                 A 
                 57 
                 9.759 
                 26.525 
                 8.335 
                 1.00 
                 54.29 
                 A 
               
               
                 ATOM 
                 398 
                 CB 
                 HIS 
                 A 
                 57 
                 10.964 
                 27.302 
                 7.779 
                 1.00 
                 55.16 
                 A 
               
               
                 ATOM 
                 399 
                 CG 
                 HIS 
                 A 
                 57 
                 10.719 
                 27.936 
                 6.444 
                 1.00 
                 56.03 
                 A 
               
               
                 ATOM 
                 400 
                 CD2 
                 HIS 
                 A 
                 57 
                 11.050 
                 27.537 
                 5.193 
                 1.00 
                 56.33 
                 A 
               
               
                 ATOM 
                 401 
                 ND1 
                 HIS 
                 A 
                 57 
                 10.032 
                 29.122 
                 6.298 
                 1.00 
                 56.66 
                 A 
               
               
                 ATOM 
                 402 
                 CE1 
                 HIS 
                 A 
                 57 
                 9.948 
                 29.426 
                 5.014 
                 1.00 
                 56.21 
                 A 
               
               
                 ATOM 
                 403 
                 NE2 
                 HIS 
                 A 
                 57 
                 10.557 
                 28.480 
                 4.322 
                 1.00 
                 56.40 
                 A 
               
               
                 ATOM 
                 404 
                 C 
                 HIS 
                 A 
                 57 
                 9.986 
                 26.266 
                 9.822 
                 1.00 
                 53.88 
                 A 
               
               
                 ATOM 
                 405 
                 O 
                 HIS 
                 A 
                 57 
                 11.051 
                 25.791 
                 10.220 
                 1.00 
                 53.33 
                 A 
               
               
                 ATOM 
                 406 
                 N 
                 SER 
                 A 
                 58 
                 8.980 
                 26.559 
                 10.639 
                 1.00 
                 53.09 
                 A 
               
               
                 ATOM 
                 407 
                 CA 
                 SER 
                 A 
                 58 
                 9.108 
                 26.402 
                 12.085 
                 1.00 
                 52.87 
                 A 
               
               
                 ATOM 
                 408 
                 CB 
                 SER 
                 A 
                 58 
                 8.133 
                 27.346 
                 12.794 
                 1.00 
                 53.36 
                 A 
               
               
                 ATOM 
                 409 
                 OG 
                 SER 
                 A 
                 58 
                 6.792 
                 27.058 
                 12.437 
                 1.00 
                 54.09 
                 A 
               
               
                 ATOM 
                 410 
                 C 
                 SER 
                 A 
                 58 
                 8.967 
                 25.009 
                 12.689 
                 1.00 
                 51.52 
                 A 
               
               
                 ATOM 
                 411 
                 O 
                 SER 
                 A 
                 58 
                 9.114 
                 24.859 
                 13.901 
                 1.00 
                 52.42 
                 A 
               
               
                 ATOM 
                 412 
                 N 
                 THR 
                 A 
                 59 
                 8.696 
                 23.995 
                 11.874 
                 1.00 
                 49.99 
                 A 
               
               
                 ATOM 
                 413 
                 CA 
                 THR 
                 A 
                 59 
                 8.540 
                 22.644 
                 12.408 
                 1.00 
                 49.61 
                 A 
               
               
                 ATOM 
                 414 
                 CB 
                 THR 
                 A 
                 59 
                 7.321 
                 21.926 
                 11.805 
                 1.00 
                 50.26 
                 A 
               
               
                 ATOM 
                 415 
                 OG1 
                 THR 
                 A 
                 59 
                 7.565 
                 21.660 
                 10.418 
                 1.00 
                 52.05 
                 A 
               
               
                 ATOM 
                 416 
                 CG2 
                 THR 
                 A 
                 59 
                 6.070 
                 22.778 
                 11.955 
                 1.00 
                 49.84 
                 A 
               
               
                 ATOM 
                 417 
                 C 
                 THR 
                 A 
                 59 
                 9.750 
                 21.755 
                 12.168 
                 1.00 
                 48.80 
                 A 
               
               
                 ATOM 
                 418 
                 O 
                 THR 
                 A 
                 59 
                 9.627 
                 20.534 
                 12.141 
                 1.00 
                 50.12 
                 A 
               
               
                 ATOM 
                 419 
                 N 
                 GLU 
                 A 
                 60 
                 10.917 
                 22.359 
                 11.996 
                 1.00 
                 47.87 
                 A 
               
               
                 ATOM 
                 420 
                 CA 
                 GLU 
                 A 
                 60 
                 12.127 
                 21.583 
                 11.760 
                 1.00 
                 48.24 
                 A 
               
               
                 ATOM 
                 421 
                 CB 
                 GLU 
                 A 
                 60 
                 12.428 
                 21.520 
                 10.260 
                 1.00 
                 49.44 
                 A 
               
               
                 ATOM 
                 422 
                 CG 
                 GLU 
                 A 
                 60 
                 11.638 
                 20.460 
                 9.520 
                 1.00 
                 53.29 
                 A 
               
               
                 ATOM 
                 423 
                 CD 
                 GLU 
                 A 
                 60 
                 11.520 
                 20.742 
                 8.030 
                 1.00 
                 56.50 
                 A 
               
               
                 ATOM 
                 424 
                 OE1 
                 GLU 
                 A 
                 60 
                 12.551 
                 21.045 
                 7.391 
                 1.00 
                 55.69 
                 A 
               
               
                 ATOM 
                 425 
                 OE2 
                 GLU 
                 A 
                 60 
                 10.389 
                 20.657 
                 7.497 
                 1.00 
                 59.38 
                 A 
               
               
                 ATOM 
                 426 
                 C 
                 GLU 
                 A 
                 60 
                 13.328 
                 22.148 
                 12.498 
                 1.00 
                 46.12 
                 A 
               
               
                 ATOM 
                 427 
                 O 
                 GLU 
                 A 
                 60 
                 13.344 
                 23.319 
                 12.886 
                 1.00 
                 46.85 
                 A 
               
               
                 ATOM 
                 428 
                 N 
                 LEU 
                 A 
                 61 
                 14.328 
                 21.301 
                 12.708 
                 1.00 
                 43.44 
                 A 
               
               
                 ATOM 
                 429 
                 CA 
                 LEU 
                 A 
                 61 
                 15.544 
                 21.737 
                 13.374 
                 1.00 
                 41.98 
                 A 
               
               
                 ATOM 
                 430 
                 CB 
                 LEU 
                 A 
                 61 
                 15.603 
                 21.245 
                 14.822 
                 1.00 
                 41.96 
                 A 
               
               
                 ATOM 
                 431 
                 CG 
                 LEU 
                 A 
                 61 
                 16.830 
                 21.736 
                 15.603 
                 1.00 
                 40.28 
                 A 
               
               
                 ATOM 
                 432 
                 CD1 
                 LEU 
                 A 
                 61 
                 16.748 
                 23.234 
                 15.798 
                 1.00 
                 41.49 
                 A 
               
               
                 ATOM 
                 433 
                 CD2 
                 LEU 
                 A 
                 61 
                 16.899 
                 21.043 
                 16.957 
                 1.00 
                 43.82 
                 A 
               
               
                 ATOM 
                 434 
                 C 
                 LEU 
                 A 
                 61 
                 16.748 
                 21.216 
                 12.613 
                 1.00 
                 40.23 
                 A 
               
               
                 ATOM 
                 435 
                 O 
                 LEU 
                 A 
                 61 
                 16.951 
                 20.005 
                 12.487 
                 1.00 
                 38.93 
                 A 
               
               
                 ATOM 
                 436 
                 N 
                 ASP 
                 A 
                 62 
                 17.535 
                 22.153 
                 12.100 
                 1.00 
                 39.30 
                 A 
               
               
                 ATOM 
                 437 
                 CA 
                 ASP 
                 A 
                 62 
                 18.736 
                 21.840 
                 11.348 
                 1.00 
                 38.26 
                 A 
               
               
                 ATOM 
                 438 
                 CB 
                 ASP 
                 A 
                 62 
                 18.972 
                 22.893 
                 10.263 
                 1.00 
                 37.02 
                 A 
               
               
                 ATOM 
                 439 
                 CG 
                 ASP 
                 A 
                 62 
                 18.188 
                 22.617 
                 8.993 
                 1.00 
                 38.78 
                 A 
               
               
                 ATOM 
                 440 
                 OD1 
                 ASP 
                 A 
                 62 
                 17.534 
                 21.557 
                 8.915 
                 1.00 
                 38.35 
                 A 
               
               
                 ATOM 
                 441 
                 OD2 
                 ASP 
                 A 
                 62 
                 18.234 
                 23.459 
                 8.069 
                 1.00 
                 35.53 
                 A 
               
               
                 ATOM 
                 442 
                 C 
                 ASP 
                 A 
                 62 
                 19.948 
                 21.817 
                 12.261 
                 1.00 
                 37.32 
                 A 
               
               
                 ATOM 
                 443 
                 O 
                 ASP 
                 A 
                 62 
                 20.004 
                 22.555 
                 13.251 
                 1.00 
                 38.00 
                 A 
               
               
                 ATOM 
                 444 
                 N 
                 PHE 
                 A 
                 63 
                 20.905 
                 20.956 
                 11.938 
                 1.00 
                 36.34 
                 A 
               
               
                 ATOM 
                 445 
                 CA 
                 PHE 
                 A 
                 63 
                 22.142 
                 20.894 
                 12.692 
                 1.00 
                 36.73 
                 A 
               
               
                 ATOM 
                 446 
                 CB 
                 PHE 
                 A 
                 63 
                 22.235 
                 19.624 
                 13.552 
                 1.00 
                 38.45 
                 A 
               
               
                 ATOM 
                 447 
                 CG 
                 PHE 
                 A 
                 63 
                 22.102 
                 18.336 
                 12.790 
                 1.00 
                 40.09 
                 A 
               
               
                 ATOM 
                 448 
                 CD1 
                 PHE 
                 A 
                 63 
                 20.849 
                 17.814 
                 12.491 
                 1.00 
                 41.21 
                 A 
               
               
                 ATOM 
                 449 
                 CD2 
                 PHE 
                 A 
                 63 
                 23.230 
                 17.620 
                 12.413 
                 1.00 
                 38.85 
                 A 
               
               
                 ATOM 
                 450 
                 CE1 
                 PHE 
                 A 
                 63 
                 20.722 
                 16.596 
                 11.830 
                 1.00 
                 41.80 
                 A 
               
               
                 ATOM 
                 451 
                 CE2 
                 PHE 
                 A 
                 63 
                 23.117 
                 16.405 
                 11.753 
                 1.00 
                 40.48 
                 A 
               
               
                 ATOM 
                 452 
                 CZ 
                 PHE 
                 A 
                 63 
                 21.857 
                 15.889 
                 11.460 
                 1.00 
                 41.84 
                 A 
               
               
                 ATOM 
                 453 
                 C 
                 PHE 
                 A 
                 63 
                 23.297 
                 20.961 
                 11.709 
                 1.00 
                 36.67 
                 A 
               
               
                 ATOM 
                 454 
                 O 
                 PHE 
                 A 
                 63 
                 23.337 
                 20.215 
                 10.724 
                 1.00 
                 37.63 
                 A 
               
               
                 ATOM 
                 455 
                 N 
                 SER 
                 A 
                 64 
                 24.217 
                 21.884 
                 11.966 
                 1.00 
                 37.08 
                 A 
               
               
                 ATOM 
                 456 
                 CA 
                 SER 
                 A 
                 64 
                 25.389 
                 22.078 
                 11.123 
                 1.00 
                 37.11 
                 A 
               
               
                 ATOM 
                 457 
                 CB 
                 SER 
                 A 
                 64 
                 25.533 
                 23.550 
                 10.742 
                 1.00 
                 37.02 
                 A 
               
               
                 ATOM 
                 458 
                 OG 
                 SER 
                 A 
                 64 
                 24.347 
                 24.054 
                 10.156 
                 1.00 
                 37.59 
                 A 
               
               
                 ATOM 
                 459 
                 C 
                 SER 
                 A 
                 64 
                 26.617 
                 21.641 
                 11.908 
                 1.00 
                 37.78 
                 A 
               
               
                 ATOM 
                 460 
                 O 
                 SER 
                 A 
                 64 
                 26.776 
                 22.004 
                 13.070 
                 1.00 
                 38.14 
                 A 
               
               
                 ATOM 
                 461 
                 N 
                 ILE 
                 A 
                 65 
                 27.486 
                 20.869 
                 11.269 
                 1.00 
                 37.84 
                 A 
               
               
                 ATOM 
                 462 
                 CA 
                 ILE 
                 A 
                 65 
                 28.687 
                 20.375 
                 11.931 
                 1.00 
                 38.20 
                 A 
               
               
                 ATOM 
                 463 
                 CB 
                 ILE 
                 A 
                 65 
                 28.517 
                 18.881 
                 12.298 
                 1.00 
                 38.18 
                 A 
               
               
                 ATOM 
                 464 
                 CG2 
                 ILE 
                 A 
                 65 
                 29.813 
                 18.319 
                 12.870 
                 1.00 
                 39.41 
                 A 
               
               
                 ATOM 
                 465 
                 CG1 
                 ILE 
                 A 
                 65 
                 27.372 
                 18.732 
                 13.306 
                 1.00 
                 37.70 
                 A 
               
               
                 ATOM 
                 466 
                 CD1 
                 ILE 
                 A 
                 65 
                 26.947 
                 17.304 
                 13.552 
                 1.00 
                 38.47 
                 A 
               
               
                 ATOM 
                 467 
                 C 
                 ILE 
                 A 
                 65 
                 29.918 
                 20.549 
                 11.053 
                 1.00 
                 38.20 
                 A 
               
               
                 ATOM 
                 468 
                 O 
                 ILE 
                 A 
                 65 
                 29.936 
                 20.120 
                 9.903 
                 1.00 
                 38.89 
                 A 
               
               
                 ATOM 
                 469 
                 N 
                 SER 
                 A 
                 66 
                 30.947 
                 21.184 
                 11.598 
                 1.00 
                 38.03 
                 A 
               
               
                 ATOM 
                 470 
                 CA 
                 SER 
                 A 
                 66 
                 32.178 
                 21.396 
                 10.848 
                 1.00 
                 38.52 
                 A 
               
               
                 ATOM 
                 471 
                 CB 
                 SER 
                 A 
                 66 
                 33.091 
                 22.367 
                 11.599 
                 1.00 
                 37.05 
                 A 
               
               
                 ATOM 
                 472 
                 OG 
                 SER 
                 A 
                 66 
                 33.302 
                 21.907 
                 12.920 
                 1.00 
                 39.76 
                 A 
               
               
                 ATOM 
                 473 
                 C 
                 SER 
                 A 
                 66 
                 32.897 
                 20.067 
                 10.652 
                 1.00 
                 38.47 
                 A 
               
               
                 ATOM 
                 474 
                 O 
                 SER 
                 A 
                 66 
                 32.773 
                 19.162 
                 11.474 
                 1.00 
                 39.22 
                 A 
               
               
                 ATOM 
                 475 
                 N 
                 VAL 
                 A 
                 67 
                 33.635 
                 19.954 
                 9.553 
                 1.00 
                 37.19 
                 A 
               
               
                 ATOM 
                 476 
                 CA 
                 VAL 
                 A 
                 67 
                 34.393 
                 18.745 
                 9.242 
                 1.00 
                 36.16 
                 A 
               
               
                 ATOM 
                 477 
                 CB 
                 VAL 
                 A 
                 67 
                 33.639 
                 17.821 
                 8.251 
                 1.00 
                 36.78 
                 A 
               
               
                 ATOM 
                 478 
                 CG1 
                 VAL 
                 A 
                 67 
                 34.466 
                 16.561 
                 7.977 
                 1.00 
                 34.33 
                 A 
               
               
                 ATOM 
                 479 
                 CG2 
                 VAL 
                 A 
                 67 
                 32.277 
                 17.439 
                 8.816 
                 1.00 
                 33.97 
                 A 
               
               
                 ATOM 
                 480 
                 C 
                 VAL 
                 A 
                 67 
                 35.715 
                 19.174 
                 8.604 
                 1.00 
                 36.50 
                 A 
               
               
                 ATOM 
                 481 
                 O 
                 VAL 
                 A 
                 67 
                 35.739 
                 19.707 
                 7.496 
                 1.00 
                 34.41 
                 A 
               
               
                 ATOM 
                 482 
                 N 
                 PRO 
                 A 
                 68 
                 36.834 
                 18.970 
                 9.315 
                 1.00 
                 38.13 
                 A 
               
               
                 ATOM 
                 483 
                 CD 
                 PRO 
                 A 
                 68 
                 36.945 
                 18.356 
                 10.650 
                 1.00 
                 38.47 
                 A 
               
               
                 ATOM 
                 484 
                 CA 
                 PRO 
                 A 
                 68 
                 38.156 
                 19.346 
                 8.795 
                 1.00 
                 38.92 
                 A 
               
               
                 ATOM 
                 485 
                 CB 
                 PRO 
                 A 
                 68 
                 39.104 
                 18.943 
                 9.927 
                 1.00 
                 39.16 
                 A 
               
               
                 ATOM 
                 486 
                 CG 
                 PRO 
                 A 
                 68 
                 38.355 
                 17.833 
                 10.630 
                 1.00 
                 38.66 
                 A 
               
               
                 ATOM 
                 487 
                 C 
                 PRO 
                 A 
                 68 
                 38.469 
                 18.638 
                 7.482 
                 1.00 
                 38.57 
                 A 
               
               
                 ATOM 
                 488 
                 O 
                 PRO 
                 A 
                 68 
                 38.045 
                 17.506 
                 7.274 
                 1.00 
                 39.03 
                 A 
               
               
                 ATOM 
                 489 
                 N 
                 THR 
                 A 
                 69 
                 39.200 
                 19.309 
                 6.598 
                 1.00 
                 40.67 
                 A 
               
               
                 ATOM 
                 490 
                 CA 
                 THR 
                 A 
                 69 
                 39.542 
                 18.736 
                 5.297 
                 1.00 
                 41.89 
                 A 
               
               
                 ATOM 
                 491 
                 CB 
                 THR 
                 A 
                 69 
                 40.363 
                 19.719 
                 4.449 
                 1.00 
                 41.81 
                 A 
               
               
                 ATOM 
                 492 
                 OG1 
                 THR 
                 A 
                 69 
                 41.533 
                 20.109 
                 5.174 
                 1.00 
                 45.53 
                 A 
               
               
                 ATOM 
                 493 
                 CG2 
                 THR 
                 A 
                 69 
                 39.548 
                 20.949 
                 4.115 
                 1.00 
                 41.08 
                 A 
               
               
                 ATOM 
                 494 
                 C 
                 THR 
                 A 
                 69 
                 40.335 
                 17.443 
                 5.420 
                 1.00 
                 42.77 
                 A 
               
               
                 ATOM 
                 495 
                 O 
                 THR 
                 A 
                 69 
                 40.345 
                 16.619 
                 4.499 
                 1.00 
                 40.61 
                 A 
               
               
                 ATOM 
                 496 
                 N 
                 SER 
                 A 
                 70 
                 40.992 
                 17.270 
                 6.563 
                 1.00 
                 43.04 
                 A 
               
               
                 ATOM 
                 497 
                 CA 
                 SER 
                 A 
                 70 
                 41.802 
                 16.083 
                 6.810 
                 1.00 
                 44.22 
                 A 
               
               
                 ATOM 
                 498 
                 CB 
                 SER 
                 A 
                 70 
                 42.565 
                 16.231 
                 8.133 
                 1.00 
                 44.13 
                 A 
               
               
                 ATOM 
                 499 
                 OG 
                 SER 
                 A 
                 70 
                 41.679 
                 16.254 
                 9.239 
                 1.00 
                 42.16 
                 A 
               
               
                 ATOM 
                 500 
                 C 
                 SER 
                 A 
                 70 
                 40.934 
                 14.833 
                 6.854 
                 1.00 
                 44.81 
                 A 
               
               
                 ATOM 
                 501 
                 O 
                 SER 
                 A 
                 70 
                 41.387 
                 13.734 
                 6.531 
                 1.00 
                 45.00 
                 A 
               
               
                 ATOM 
                 502 
                 N 
                 HIS 
                 A 
                 71 
                 39.679 
                 15.000 
                 7.250 
                 1.00 
                 44.99 
                 A 
               
               
                 ATOM 
                 503 
                 CA 
                 HIS 
                 A 
                 71 
                 38.779 
                 13.866 
                 7.328 
                 1.00 
                 45.50 
                 A 
               
               
                 ATOM 
                 504 
                 CB 
                 HIS 
                 A 
                 71 
                 37.595 
                 14.215 
                 8.230 
                 1.00 
                 50.25 
                 A 
               
               
                 ATOM 
                 505 
                 CG 
                 HIS 
                 A 
                 71 
                 37.970 
                 14.374 
                 9.671 
                 1.00 
                 54.93 
                 A 
               
               
                 ATOM 
                 506 
                 CD2 
                 HIS 
                 A 
                 71 
                 39.181 
                 14.404 
                 10.279 
                 1.00 
                 56.60 
                 A 
               
               
                 ATOM 
                 507 
                 ND1 
                 HIS 
                 A 
                 71 
                 37.036 
                 14.525 
                 10.674 
                 1.00 
                 56.61 
                 A 
               
               
                 ATOM 
                 508 
                 CE1 
                 HIS 
                 A 
                 71 
                 37.656 
                 14.640 
                 11.837 
                 1.00 
                 57.31 
                 A 
               
               
                 ATOM 
                 509 
                 NE2 
                 HIS 
                 A 
                 71 
                 38.957 
                 14.570 
                 11.625 
                 1.00 
                 57.50 
                 A 
               
               
                 ATOM 
                 510 
                 C 
                 HIS 
                 A 
                 71 
                 38.313 
                 13.397 
                 5.948 
                 1.00 
                 44.27 
                 A 
               
               
                 ATOM 
                 511 
                 O 
                 HIS 
                 A 
                 71 
                 37.778 
                 12.299 
                 5.803 
                 1.00 
                 42.77 
                 A 
               
               
                 ATOM 
                 512 
                 N 
                 GLY 
                 A 
                 72 
                 38.539 
                 14.226 
                 4.935 
                 1.00 
                 42.93 
                 A 
               
               
                 ATOM 
                 513 
                 CA 
                 GLY 
                 A 
                 72 
                 38.151 
                 13.868 
                 3.582 
                 1.00 
                 42.01 
                 A 
               
               
                 ATOM 
                 514 
                 C 
                 GLY 
                 A 
                 72 
                 36.825 
                 14.454 
                 3.136 
                 1.00 
                 40.53 
                 A 
               
               
                 ATOM 
                 515 
                 O 
                 GLY 
                 A 
                 72 
                 36.046 
                 14.934 
                 3.954 
                 1.00 
                 40.70 
                 A 
               
               
                 ATOM 
                 516 
                 N 
                 ASP 
                 A 
                 73 
                 36.581 
                 14.423 
                 1.828 
                 1.00 
                 39.45 
                 A 
               
               
                 ATOM 
                 517 
                 CA 
                 ASP 
                 A 
                 73 
                 35.345 
                 14.931 
                 1.238 
                 1.00 
                 39.65 
                 A 
               
               
                 ATOM 
                 518 
                 CB 
                 ASP 
                 A 
                 73 
                 35.309 
                 14.568 
                 −0.251 
                 1.00 
                 39.15 
                 A 
               
               
                 ATOM 
                 519 
                 CG 
                 ASP 
                 A 
                 73 
                 34.036 
                 15.025 
                 −0.942 
                 1.00 
                 37.87 
                 A 
               
               
                 ATOM 
                 520 
                 OD1 
                 ASP 
                 A 
                 73 
                 32.947 
                 14.913 
                 −0.343 
                 1.00 
                 39.76 
                 A 
               
               
                 ATOM 
                 521 
                 OD2 
                 ASP 
                 A 
                 73 
                 34.122 
                 15.485 
                 −2.097 
                 1.00 
                 40.00 
                 A 
               
               
                 ATOM 
                 522 
                 C 
                 ASP 
                 A 
                 73 
                 34.162 
                 14.280 
                 1.957 
                 1.00 
                 37.48 
                 A 
               
               
                 ATOM 
                 523 
                 O 
                 ASP 
                 A 
                 73 
                 33.993 
                 13.066 
                 1.895 
                 1.00 
                 38.41 
                 A 
               
               
                 ATOM 
                 524 
                 N 
                 PRO 
                 A 
                 74 
                 33.335 
                 15.079 
                 2.652 
                 1.00 
                 36.55 
                 A 
               
               
                 ATOM 
                 525 
                 CD 
                 PRO 
                 A 
                 74 
                 33.529 
                 16.507 
                 2.958 
                 1.00 
                 37.15 
                 A 
               
               
                 ATOM 
                 526 
                 CA 
                 PRO 
                 A 
                 74 
                 32.175 
                 14.544 
                 3.378 
                 1.00 
                 34.86 
                 A 
               
               
                 ATOM 
                 527 
                 CB 
                 PRO 
                 A 
                 74 
                 31.752 
                 15.714 
                 4.268 
                 1.00 
                 34.11 
                 A 
               
               
                 ATOM 
                 528 
                 CG 
                 PRO 
                 A 
                 74 
                 32.170 
                 16.906 
                 3.466 
                 1.00 
                 36.59 
                 A 
               
               
                 ATOM 
                 529 
                 C 
                 PRO 
                 A 
                 74 
                 31.027 
                 14.004 
                 2.518 
                 1.00 
                 33.80 
                 A 
               
               
                 ATOM 
                 530 
                 O 
                 PRO 
                 A 
                 74 
                 30.274 
                 13.156 
                 2.982 
                 1.00 
                 33.04 
                 A 
               
               
                 ATOM 
                 531 
                 N 
                 TYR 
                 A 
                 75 
                 30.867 
                 14.494 
                 1.289 
                 1.00 
                 32.38 
                 A 
               
               
                 ATOM 
                 532 
                 CA 
                 TYR 
                 A 
                 75 
                 29.801 
                 13.957 
                 0.447 
                 1.00 
                 32.91 
                 A 
               
               
                 ATOM 
                 533 
                 CB 
                 TYR 
                 A 
                 75 
                 29.530 
                 14.819 
                 −0.789 
                 1.00 
                 32.39 
                 A 
               
               
                 ATOM 
                 534 
                 CG 
                 TYR 
                 A 
                 75 
                 28.334 
                 14.320 
                 −1.600 
                 1.00 
                 32.65 
                 A 
               
               
                 ATOM 
                 535 
                 CD1 
                 TYR 
                 A 
                 75 
                 27.086 
                 14.159 
                 −1.002 
                 1.00 
                 32.34 
                 A 
               
               
                 ATOM 
                 536 
                 CE1 
                 TYR 
                 A 
                 75 
                 25.978 
                 13.752 
                 −1.731 
                 1.00 
                 32.78 
                 A 
               
               
                 ATOM 
                 537 
                 CD2 
                 TYR 
                 A 
                 75 
                 28.442 
                 14.047 
                 −2.966 
                 1.00 
                 35.34 
                 A 
               
               
                 ATOM 
                 538 
                 CE2 
                 TYR 
                 A 
                 75 
                 27.321 
                 13.632 
                 −3.714 
                 1.00 
                 33.58 
                 A 
               
               
                 ATOM 
                 539 
                 CZ 
                 TYR 
                 A 
                 75 
                 26.098 
                 13.494 
                 −3.084 
                 1.00 
                 33.86 
                 A 
               
               
                 ATOM 
                 540 
                 OH 
                 TYR 
                 A 
                 75 
                 24.972 
                 13.132 
                 −3.797 
                 1.00 
                 33.63 
                 A 
               
               
                 ATOM 
                 541 
                 C 
                 TYR 
                 A 
                 75 
                 30.256 
                 12.580 
                 −0.007 
                 1.00 
                 33.77 
                 A 
               
               
                 ATOM 
                 542 
                 O 
                 TYR 
                 A 
                 75 
                 29.464 
                 11.641 
                 −0.055 
                 1.00 
                 33.18 
                 A 
               
               
                 ATOM 
                 543 
                 N 
                 ALA 
                 A 
                 76 
                 31.540 
                 12.470 
                 −0.346 
                 1.00 
                 34.39 
                 A 
               
               
                 ATOM 
                 544 
                 CA 
                 ALA 
                 A 
                 76 
                 32.098 
                 11.187 
                 −0.772 
                 1.00 
                 35.15 
                 A 
               
               
                 ATOM 
                 545 
                 CB 
                 ALA 
                 A 
                 76 
                 33.595 
                 11.319 
                 −1.071 
                 1.00 
                 34.26 
                 A 
               
               
                 ATOM 
                 546 
                 C 
                 ALA 
                 A 
                 76 
                 31.885 
                 10.199 
                 0.362 
                 1.00 
                 34.76 
                 A 
               
               
                 ATOM 
                 547 
                 O 
                 ALA 
                 A 
                 76 
                 31.608 
                 9.023 
                 0.136 
                 1.00 
                 33.20 
                 A 
               
               
                 ATOM 
                 548 
                 N 
                 THR 
                 A 
                 77 
                 32.005 
                 10.695 
                 1.588 
                 1.00 
                 34.77 
                 A 
               
               
                 ATOM 
                 549 
                 CA 
                 THR 
                 A 
                 77 
                 31.824 
                 9.858 
                 2.767 
                 1.00 
                 36.06 
                 A 
               
               
                 ATOM 
                 550 
                 CB 
                 THR 
                 A 
                 77 
                 32.317 
                 10.584 
                 4.034 
                 1.00 
                 36.33 
                 A 
               
               
                 ATOM 
                 551 
                 OG1 
                 THR 
                 A 
                 77 
                 33.740 
                 10.719 
                 3.968 
                 1.00 
                 37.57 
                 A 
               
               
                 ATOM 
                 552 
                 CG2 
                 THR 
                 A 
                 77 
                 31.941 
                 9.798 
                 5.289 
                 1.00 
                 36.53 
                 A 
               
               
                 ATOM 
                 553 
                 C 
                 THR 
                 A 
                 77 
                 30.385 
                 9.390 
                 2.999 
                 1.00 
                 37.01 
                 A 
               
               
                 ATOM 
                 554 
                 O 
                 THR 
                 A 
                 77 
                 30.152 
                 8.203 
                 3.263 
                 1.00 
                 38.11 
                 A 
               
               
                 ATOM 
                 555 
                 N 
                 VAL 
                 A 
                 78 
                 29.420 
                 10.303 
                 2.911 
                 1.00 
                 36.63 
                 A 
               
               
                 ATOM 
                 556 
                 CA 
                 VAL 
                 A 
                 78 
                 28.027 
                 9.923 
                 3.138 
                 1.00 
                 36.66 
                 A 
               
               
                 ATOM 
                 557 
                 CB 
                 VAL 
                 A 
                 78 
                 27.087 
                 11.164 
                 3.268 
                 1.00 
                 36.95 
                 A 
               
               
                 ATOM 
                 558 
                 CG1 
                 VAL 
                 A 
                 78 
                 27.499 
                 11.998 
                 4.468 
                 1.00 
                 36.05 
                 A 
               
               
                 ATOM 
                 559 
                 CG2 
                 VAL 
                 A 
                 78 
                 27.124 
                 12.002 
                 1.999 
                 1.00 
                 36.59 
                 A 
               
               
                 ATOM 
                 560 
                 C 
                 VAL 
                 A 
                 78 
                 27.480 
                 9.003 
                 2.053 
                 1.00 
                 35.80 
                 A 
               
               
                 ATOM 
                 561 
                 O 
                 VAL 
                 A 
                 78 
                 26.614 
                 8.176 
                 2.325 
                 1.00 
                 35.84 
                 A 
               
               
                 ATOM 
                 562 
                 N 
                 VAL 
                 A 
                 79 
                 27.972 
                 9.135 
                 0.826 
                 1.00 
                 35.93 
                 A 
               
               
                 ATOM 
                 563 
                 CA 
                 VAL 
                 A 
                 79 
                 27.485 
                 8.269 
                 −0.241 
                 1.00 
                 36.96 
                 A 
               
               
                 ATOM 
                 564 
                 CB 
                 VAL 
                 A 
                 79 
                 27.857 
                 8.808 
                 −1.641 
                 1.00 
                 36.08 
                 A 
               
               
                 ATOM 
                 565 
                 CG1 
                 VAL 
                 A 
                 79 
                 27.323 
                 7.859 
                 −2.712 
                 1.00 
                 34.68 
                 A 
               
               
                 ATOM 
                 566 
                 CG2 
                 VAL 
                 A 
                 79 
                 27.278 
                 10.197 
                 −1.844 
                 1.00 
                 36.45 
                 A 
               
               
                 ATOM 
                 567 
                 C 
                 VAL 
                 A 
                 79 
                 28.091 
                 6.872 
                 −0.064 
                 1.00 
                 37.92 
                 A 
               
               
                 ATOM 
                 568 
                 O 
                 VAL 
                 A 
                 79 
                 27.384 
                 5.867 
                 −0.111 
                 1.00 
                 38.87 
                 A 
               
               
                 ATOM 
                 569 
                 N 
                 GLU 
                 A 
                 80 
                 29.402 
                 6.823 
                 0.155 
                 1.00 
                 38.87 
                 A 
               
               
                 ATOM 
                 570 
                 CA 
                 GLU 
                 A 
                 80 
                 30.106 
                 5.562 
                 0.345 
                 1.00 
                 40.08 
                 A 
               
               
                 ATOM 
                 571 
                 CB 
                 GLU 
                 A 
                 80 
                 31.589 
                 5.809 
                 0.592 
                 1.00 
                 42.04 
                 A 
               
               
                 ATOM 
                 572 
                 CG 
                 GLU 
                 A 
                 80 
                 32.435 
                 5.911 
                 −0.653 
                 1.00 
                 47.22 
                 A 
               
               
                 ATOM 
                 573 
                 CD 
                 GLU 
                 A 
                 80 
                 33.913 
                 5.949 
                 −0.316 
                 1.00 
                 50.49 
                 A 
               
               
                 ATOM 
                 574 
                 OE1 
                 GLU 
                 A 
                 80 
                 34.379 
                 5.027 
                 0.396 
                 1.00 
                 51.53 
                 A 
               
               
                 ATOM 
                 575 
                 OE2 
                 GLU 
                 A 
                 80 
                 34.603 
                 6.895 
                 −0.760 
                 1.00 
                 52.54 
                 A 
               
               
                 ATOM 
                 576 
                 C 
                 GLU 
                 A 
                 80 
                 29.579 
                 4.732 
                 1.502 
                 1.00 
                 40.32 
                 A 
               
               
                 ATOM 
                 577 
                 O 
                 GLU 
                 A 
                 80 
                 29.569 
                 3.504 
                 1.436 
                 1.00 
                 39.33 
                 A 
               
               
                 ATOM 
                 578 
                 N 
                 LYS 
                 A 
                 81 
                 29.158 
                 5.401 
                 2.567 
                 1.00 
                 40.75 
                 A 
               
               
                 ATOM 
                 579 
                 CA 
                 LYS 
                 A 
                 81 
                 28.658 
                 4.701 
                 3.743 
                 1.00 
                 42.50 
                 A 
               
               
                 ATOM 
                 580 
                 CB 
                 LYS 
                 A 
                 81 
                 28.979 
                 5.515 
                 4.999 
                 1.00 
                 43.97 
                 A 
               
               
                 ATOM 
                 581 
                 CG 
                 LYS 
                 A 
                 81 
                 28.806 
                 4.743 
                 6.294 
                 1.00 
                 47.62 
                 A 
               
               
                 ATOM 
                 582 
                 CD 
                 LYS 
                 A 
                 81 
                 29.508 
                 5.437 
                 7.448 
                 1.00 
                 48.42 
                 A 
               
               
                 ATOM 
                 583 
                 CE 
                 LYS 
                 A 
                 81 
                 29.424 
                 4.611 
                 8.722 
                 1.00 
                 49.73 
                 A 
               
               
                 ATOM 
                 584 
                 NZ 
                 LYS 
                 A 
                 81 
                 30.230 
                 5.215 
                 9.816 
                 1.00 
                 50.46 
                 A 
               
               
                 ATOM 
                 585 
                 C 
                 LYS 
                 A 
                 81 
                 27.160 
                 4.393 
                 3.659 
                 1.00 
                 42.43 
                 A 
               
               
                 ATOM 
                 586 
                 O 
                 LYS 
                 A 
                 81 
                 26.583 
                 3.794 
                 4.569 
                 1.00 
                 43.82 
                 A 
               
               
                 ATOM 
                 587 
                 N 
                 GLY 
                 A 
                 82 
                 26.534 
                 4.800 
                 2.561 
                 1.00 
                 41.47 
                 A 
               
               
                 ATOM 
                 588 
                 CA 
                 GLY 
                 A 
                 82 
                 25.120 
                 4.530 
                 2.380 
                 1.00 
                 40.57 
                 A 
               
               
                 ATOM 
                 589 
                 C 
                 GLY 
                 A 
                 82 
                 24.167 
                 5.412 
                 3.165 
                 1.00 
                 39.41 
                 A 
               
               
                 ATOM 
                 590 
                 O 
                 GLY 
                 A 
                 82 
                 23.027 
                 5.017 
                 3.410 
                 1.00 
                 39.15 
                 A 
               
               
                 ATOM 
                 591 
                 N 
                 LEU 
                 A 
                 83 
                 24.617 
                 6.606 
                 3.551 
                 1.00 
                 38.67 
                 A 
               
               
                 ATOM 
                 592 
                 CA 
                 LEU 
                 A 
                 83 
                 23.776 
                 7.530 
                 4.310 
                 1.00 
                 36.40 
                 A 
               
               
                 ATOM 
                 593 
                 CB 
                 LEU 
                 A 
                 83 
                 24.625 
                 8.331 
                 5.296 
                 1.00 
                 37.66 
                 A 
               
               
                 ATOM 
                 594 
                 CG 
                 LEU 
                 A 
                 83 
                 25.301 
                 7.524 
                 6.409 
                 1.00 
                 39.03 
                 A 
               
               
                 ATOM 
                 595 
                 CD1 
                 LEU 
                 A 
                 83 
                 26.040 
                 8.469 
                 7.328 
                 1.00 
                 39.46 
                 A 
               
               
                 ATOM 
                 596 
                 CD2 
                 LEU 
                 A 
                 83 
                 24.260 
                 6.734 
                 7.203 
                 1.00 
                 38.72 
                 A 
               
               
                 ATOM 
                 597 
                 C 
                 LEU 
                 A 
                 83 
                 22.999 
                 8.481 
                 3.407 
                 1.00 
                 36.46 
                 A 
               
               
                 ATOM 
                 598 
                 O 
                 LEU 
                 A 
                 83 
                 22.058 
                 9.144 
                 3.845 
                 1.00 
                 38.34 
                 A 
               
               
                 ATOM 
                 599 
                 N 
                 PHE 
                 A 
                 84 
                 23.397 
                 8.569 
                 2.145 
                 1.00 
                 33.71 
                 A 
               
               
                 ATOM 
                 600 
                 CA 
                 PHE 
                 A 
                 84 
                 22.695 
                 9.427 
                 1.206 
                 1.00 
                 34.20 
                 A 
               
               
                 ATOM 
                 601 
                 CB 
                 PHE 
                 A 
                 84 
                 23.172 
                 10.885 
                 1.305 
                 1.00 
                 35.21 
                 A 
               
               
                 ATOM 
                 602 
                 CG 
                 PHE 
                 A 
                 84 
                 23.307 
                 11.840 
                 0.541 
                 1.00 
                 33.04 
                 A 
               
               
                 ATOM 
                 603 
                 CD1 
                 PHE 
                 A 
                 84 
                 21.109 
                 12.290 
                 1.080 
                 1.00 
                 33.86 
                 A 
               
               
                 ATOM 
                 604 
                 CD2 
                 PHE 
                 A 
                 84 
                 22.636 
                 12.211 
                 −0.758 
                 1.00 
                 32.80 
                 A 
               
               
                 ATOM 
                 605 
                 CE1 
                 PHE 
                 A 
                 84 
                 20.247 
                 13.088 
                 0.335 
                 1.00 
                 33.51 
                 A 
               
               
                 ATOM 
                 606 
                 CE2 
                 PHE 
                 A 
                 84 
                 21.780 
                 13.010 
                 −1.513 
                 1.00 
                 32.34 
                 A 
               
               
                 ATOM 
                 607 
                 CZ 
                 PHE 
                 A 
                 84 
                 20.583 
                 13.449 
                 −0.970 
                 1.00 
                 33.64 
                 A 
               
               
                 ATOM 
                 608 
                 C 
                 PHE 
                 A 
                 84 
                 22.952 
                 8.909 
                 −0.199 
                 1.00 
                 34.14 
                 A 
               
               
                 ATOM 
                 609 
                 O 
                 PHE 
                 A 
                 84 
                 24.055 
                 8.456 
                 −0.502 
                 1.00 
                 32.87 
                 A 
               
               
                 ATOM 
                 610 
                 N 
                 PRO 
                 A 
                 85 
                 21.936 
                 8.965 
                 −1.075 
                 1.00 
                 35.40 
                 A 
               
               
                 ATOM 
                 611 
                 CD 
                 PRO 
                 A 
                 85 
                 20.507 
                 9.187 
                 −0.785 
                 1.00 
                 35.87 
                 A 
               
               
                 ATOM 
                 612 
                 CA 
                 PRO 
                 A 
                 85 
                 22.115 
                 8.481 
                 −2.446 
                 1.00 
                 36.99 
                 A 
               
               
                 ATOM 
                 613 
                 CB 
                 PRO 
                 A 
                 85 
                 20.743 
                 7.912 
                 −2.782 
                 1.00 
                 36.41 
                 A 
               
               
                 ATOM 
                 614 
                 CG 
                 PRO 
                 A 
                 85 
                 19.836 
                 8.885 
                 −2.131 
                 1.00 
                 36.37 
                 A 
               
               
                 ATOM 
                 615 
                 C 
                 PRO 
                 A 
                 85 
                 22.542 
                 9.560 
                 −3.432 
                 1.00 
                 38.58 
                 A 
               
               
                 ATOM 
                 616 
                 O 
                 PRO 
                 A 
                 85 
                 22.088 
                 10.697 
                 −3.343 
                 1.00 
                 37.08 
                 A 
               
               
                 ATOM 
                 617 
                 N 
                 ALA 
                 A 
                 86 
                 23.423 
                 9.204 
                 −4.365 
                 1.00 
                 41.13 
                 A 
               
               
                 ATOM 
                 618 
                 CA 
                 ALA 
                 A 
                 86 
                 23.854 
                 10.154 
                 −5.378 
                 1.00 
                 43.66 
                 A 
               
               
                 ATOM 
                 619 
                 CB 
                 ALA 
                 A 
                 86 
                 24.889 
                 9.528 
                 −6.295 
                 1.00 
                 43.21 
                 A 
               
               
                 ATOM 
                 620 
                 C 
                 ALA 
                 A 
                 86 
                 22.605 
                 10.524 
                 −6.171 
                 1.00 
                 45.42 
                 A 
               
               
                 ATOM 
                 621 
                 O 
                 ALA 
                 A 
                 86 
                 21.847 
                 9.649 
                 −6.600 
                 1.00 
                 45.70 
                 A 
               
               
                 ATOM 
                 622 
                 N 
                 THR 
                 A 
                 87 
                 22.389 
                 11.821 
                 −6.355 
                 1.00 
                 46.96 
                 A 
               
               
                 ATOM 
                 623 
                 CA 
                 THR 
                 A 
                 87 
                 21.222 
                 12.308 
                 −7.076 
                 1.00 
                 47.91 
                 A 
               
               
                 ATOM 
                 624 
                 CB 
                 THR 
                 A 
                 87 
                 21.011 
                 13.810 
                 −6.820 
                 1.00 
                 49.25 
                 A 
               
               
                 ATOM 
                 625 
                 OG1 
                 THR 
                 A 
                 87 
                 22.142 
                 14.537 
                 −7.318 
                 1.00 
                 50.27 
                 A 
               
               
                 ATOM 
                 626 
                 CG2 
                 THR 
                 A 
                 87 
                 20.850 
                 14.084 
                 −5.323 
                 1.00 
                 48.15 
                 A 
               
               
                 ATOM 
                 627 
                 C 
                 THR 
                 A 
                 87 
                 21.308 
                 12.094 
                 −8.581 
                 1.00 
                 48.08 
                 A 
               
               
                 ATOM 
                 628 
                 O 
                 THR 
                 A 
                 87 
                 20.289 
                 12.120 
                 −9.266 
                 1.00 
                 48.96 
                 A 
               
               
                 ATOM 
                 629 
                 N 
                 GLY 
                 A 
                 88 
                 22.515 
                 11.868 
                 −9.088 
                 1.00 
                 47.81 
                 A 
               
               
                 ATOM 
                 630 
                 CA 
                 GLY 
                 A 
                 88 
                 22.701 
                 11.692 
                 −10.520 
                 1.00 
                 47.20 
                 A 
               
               
                 ATOM 
                 631 
                 C 
                 GLY 
                 A 
                 88 
                 22.574 
                 13.042 
                 −11.212 
                 1.00 
                 47.00 
                 A 
               
               
                 ATOM 
                 632 
                 O 
                 GLY 
                 A 
                 88 
                 22.365 
                 13.131 
                 −12.424 
                 1.00 
                 47.22 
                 A 
               
               
                 ATOM 
                 633 
                 N 
                 HIS 
                 A 
                 89 
                 22.720 
                 14.099 
                 −10.419 
                 1.00 
                 45.03 
                 A 
               
               
                 ATOM 
                 634 
                 CA 
                 HIS 
                 A 
                 89 
                 22.601 
                 15.482 
                 −10.877 
                 1.00 
                 44.02 
                 A 
               
               
                 ATOM 
                 635 
                 CB 
                 HIS 
                 A 
                 89 
                 21.499 
                 16.149 
                 −10.033 
                 1.00 
                 45.14 
                 A 
               
               
                 ATOM 
                 636 
                 CG 
                 HIS 
                 A 
                 89 
                 21.222 
                 17.577 
                 −10.380 
                 1.00 
                 47.25 
                 A 
               
               
                 ATOM 
                 637 
                 CD2 
                 HIS 
                 A 
                 89 
                 20.207 
                 18.143 
                 −11.075 
                 1.00 
                 47.80 
                 A 
               
               
                 ATOM 
                 638 
                 ND1 
                 HIS 
                 A 
                 89 
                 22.043 
                 18.612 
                 −9.987 
                 1.00 
                 46.81 
                 A 
               
               
                 ATOM 
                 639 
                 CE1 
                 HIS 
                 A 
                 89 
                 21.545 
                 19.755 
                 −10.426 
                 1.00 
                 46.54 
                 A 
               
               
                 ATOM 
                 640 
                 NE2 
                 HIS 
                 A 
                 89 
                 20.432 
                 19.499 
                 −11.089 
                 1.00 
                 46.38 
                 A 
               
               
                 ATOM 
                 641 
                 C 
                 HIS 
                 A 
                 89 
                 23.962 
                 16.183 
                 −10.701 
                 1.00 
                 42.11 
                 A 
               
               
                 ATOM 
                 642 
                 O 
                 HIS 
                 A 
                 89 
                 24.802 
                 15.715 
                 −9.932 
                 1.00 
                 41.05 
                 A 
               
               
                 ATOM 
                 643 
                 N 
                 PRO 
                 A 
                 90 
                 24.208 
                 17.292 
                 −11.425 
                 1.00 
                 40.53 
                 A 
               
               
                 ATOM 
                 644 
                 CD 
                 PRO 
                 A 
                 90 
                 23.425 
                 17.878 
                 −12.529 
                 1.00 
                 41.84 
                 A 
               
               
                 ATOM 
                 645 
                 CA 
                 PRO 
                 A 
                 90 
                 25.492 
                 17.990 
                 −11.285 
                 1.00 
                 39.95 
                 A 
               
               
                 ATOM 
                 646 
                 CB 
                 PRO 
                 A 
                 90 
                 25.282 
                 19.254 
                 −12.103 
                 1.00 
                 39.62 
                 A 
               
               
                 ATOM 
                 647 
                 CG 
                 PRO 
                 A 
                 90 
                 24.447 
                 18.759 
                 −13.224 
                 1.00 
                 42.14 
                 A 
               
               
                 ATOM 
                 648 
                 C 
                 PRO 
                 A 
                 90 
                 25.879 
                 18.295 
                 −9.836 
                 1.00 
                 38.75 
                 A 
               
               
                 ATOM 
                 649 
                 O 
                 PRO 
                 A 
                 90 
                 27.062 
                 18.400 
                 −9.508 
                 1.00 
                 36.43 
                 A 
               
               
                 ATOM 
                 650 
                 N 
                 VAL 
                 A 
                 91 
                 24.884 
                 18.432 
                 −8.967 
                 1.00 
                 37.40 
                 A 
               
               
                 ATOM 
                 651 
                 CA 
                 VAL 
                 A 
                 91 
                 25.174 
                 18.729 
                 −7.573 
                 1.00 
                 35.42 
                 A 
               
               
                 ATOM 
                 652 
                 CB 
                 VAL 
                 A 
                 91 
                 23.863 
                 18.890 
                 −6.751 
                 1.00 
                 32.89 
                 A 
               
               
                 ATOM 
                 653 
                 CG1 
                 VAL 
                 A 
                 91 
                 23.089 
                 17.585 
                 −6.708 
                 1.00 
                 29.58 
                 A 
               
               
                 ATOM 
                 654 
                 CG2 
                 VAL 
                 A 
                 91 
                 24.188 
                 19.390 
                 −5.348 
                 1.00 
                 33.88 
                 A 
               
               
                 ATOM 
                 655 
                 C 
                 VAL 
                 A 
                 91 
                 26.070 
                 17.647 
                 −6.973 
                 1.00 
                 36.43 
                 A 
               
               
                 ATOM 
                 656 
                 O 
                 VAL 
                 A 
                 91 
                 26.809 
                 17.897 
                 −6.014 
                 1.00 
                 35.56 
                 A 
               
               
                 ATOM 
                 657 
                 N 
                 ASP 
                 A 
                 92 
                 26.041 
                 16.453 
                 −7.562 
                 1.00 
                 36.81 
                 A 
               
               
                 ATOM 
                 658 
                 CA 
                 ASP 
                 A 
                 92 
                 26.862 
                 15.352 
                 −7.064 
                 1.00 
                 37.47 
                 A 
               
               
                 ATOM 
                 659 
                 CB 
                 ASP 
                 A 
                 92 
                 26.513 
                 14.033 
                 −7.764 
                 1.00 
                 39.17 
                 A 
               
               
                 ATOM 
                 660 
                 CG 
                 ASP 
                 A 
                 92 
                 25.111 
                 13.547 
                 −7.441 
                 1.00 
                 42.34 
                 A 
               
               
                 ATOM 
                 661 
                 OD1 
                 ASP 
                 A 
                 92 
                 24.703 
                 13.605 
                 −6.257 
                 1.00 
                 42.11 
                 A 
               
               
                 ATOM 
                 662 
                 OD2 
                 ASP 
                 A 
                 92 
                 24.426 
                 13.094 
                 −8.379 
                 1.00 
                 41.11 
                 A 
               
               
                 ATOM 
                 663 
                 C 
                 ASP 
                 A 
                 92 
                 28.358 
                 15.600 
                 −7.241 
                 1.00 
                 37.40 
                 A 
               
               
                 ATOM 
                 664 
                 O 
                 ASP 
                 A 
                 92 
                 29.176 
                 15.030 
                 −6.522 
                 1.00 
                 36.00 
                 A 
               
               
                 ATOM 
                 665 
                 N 
                 ASP 
                 A 
                 93 
                 28.714 
                 16.443 
                 −8.200 
                 1.00 
                 37.21 
                 A 
               
               
                 ATOM 
                 666 
                 CA 
                 ASP 
                 A 
                 93 
                 30.119 
                 16.714 
                 −8.465 
                 1.00 
                 38.02 
                 A 
               
               
                 ATOM 
                 667 
                 CB 
                 ASP 
                 A 
                 93 
                 30.378 
                 16.662 
                 −9.974 
                 1.00 
                 39.00 
                 A 
               
               
                 ATOM 
                 668 
                 CG 
                 ASP 
                 A 
                 93 
                 29.861 
                 15.385 
                 −10.611 
                 1.00 
                 42.85 
                 A 
               
               
                 ATOM 
                 669 
                 OD1 
                 ASP 
                 A 
                 93 
                 30.238 
                 14.293 
                 −10.139 
                 1.00 
                 43.31 
                 A 
               
               
                 ATOM 
                 670 
                 OD2 
                 ASP 
                 A 
                 93 
                 29.075 
                 15.476 
                 −11.579 
                 1.00 
                 45.48 
                 A 
               
               
                 ATOM 
                 671 
                 C 
                 ASP 
                 A 
                 93 
                 30.625 
                 18.044 
                 −7.932 
                 1.00 
                 37.00 
                 A 
               
               
                 ATOM 
                 672 
                 O 
                 ASP 
                 A 
                 93 
                 31.831 
                 18.245 
                 −7.835 
                 1.00 
                 36.56 
                 A 
               
               
                 ATOM 
                 673 
                 N 
                 LEU 
                 A 
                 94 
                 29.710 
                 18.938 
                 −7.568 
                 1.00 
                 35.71 
                 A 
               
               
                 ATOM 
                 674 
                 CA 
                 LEU 
                 A 
                 94 
                 30.104 
                 20.268 
                 −7.120 
                 1.00 
                 34.14 
                 A 
               
               
                 ATOM 
                 675 
                 CB 
                 LEU 
                 A 
                 94 
                 28.867 
                 21.131 
                 −6.853 
                 1.00 
                 34.32 
                 A 
               
               
                 ATOM 
                 676 
                 CG 
                 LEU 
                 A 
                 94 
                 29.151 
                 22.629 
                 −6.678 
                 1.00 
                 33.22 
                 A 
               
               
                 ATOM 
                 677 
                 CD1 
                 LEU 
                 A 
                 94 
                 30.004 
                 23.160 
                 −7.823 
                 1.00 
                 33.67 
                 A 
               
               
                 ATOM 
                 678 
                 CD2 
                 LEU 
                 A 
                 94 
                 27.839 
                 23.368 
                 −6.627 
                 1.00 
                 34.83 
                 A 
               
               
                 ATOM 
                 679 
                 C 
                 LEU 
                 A 
                 94 
                 31.054 
                 20.357 
                 −5.931 
                 1.00 
                 33.54 
                 A 
               
               
                 ATOM 
                 680 
                 O 
                 LEU 
                 A 
                 94 
                 32.010 
                 21.132 
                 −5.971 
                 1.00 
                 32.88 
                 A 
               
               
                 ATOM 
                 681 
                 N 
                 LEU 
                 A 
                 95 
                 30.814 
                 19.592 
                 −4.874 
                 1.00 
                 33.38 
                 A 
               
               
                 ATOM 
                 682 
                 CA 
                 LEU 
                 A 
                 95 
                 31.729 
                 19.687 
                 −3.749 
                 1.00 
                 34.21 
                 A 
               
               
                 ATOM 
                 683 
                 CB 
                 LEU 
                 A 
                 95 
                 31.309 
                 18.780 
                 −2.589 
                 1.00 
                 31.65 
                 A 
               
               
                 ATOM 
                 684 
                 CG 
                 LEU 
                 A 
                 95 
                 32.185 
                 18.988 
                 −1.337 
                 1.00 
                 31.56 
                 A 
               
               
                 ATOM 
                 685 
                 CD1 
                 LEU 
                 A 
                 95 
                 32.251 
                 20.480 
                 −0.967 
                 1.00 
                 32.11 
                 A 
               
               
                 ATOM 
                 686 
                 CD2 
                 LEU 
                 A 
                 95 
                 31.620 
                 18.187 
                 −0.173 
                 1.00 
                 32.42 
                 A 
               
               
                 ATOM 
                 687 
                 C 
                 LEU 
                 A 
                 95 
                 33.111 
                 19.300 
                 −4.249 
                 1.00 
                 34.32 
                 A 
               
               
                 ATOM 
                 688 
                 O 
                 LEU 
                 A 
                 95 
                 34.074 
                 20.036 
                 −4.047 
                 1.00 
                 33.01 
                 A 
               
               
                 ATOM 
                 689 
                 N 
                 ALA 
                 A 
                 96 
                 33.197 
                 18.158 
                 −4.933 
                 1.00 
                 34.56 
                 A 
               
               
                 ATOM 
                 690 
                 CA 
                 ALA 
                 A 
                 96 
                 34.473 
                 17.675 
                 −5.457 
                 1.00 
                 35.45 
                 A 
               
               
                 ATOM 
                 691 
                 CB 
                 ALA 
                 A 
                 96 
                 34.284 
                 16.303 
                 −6.104 
                 1.00 
                 37.29 
                 A 
               
               
                 ATOM 
                 692 
                 C 
                 ALA 
                 A 
                 96 
                 35.132 
                 18.641 
                 −6.447 
                 1.00 
                 34.95 
                 A 
               
               
                 ATOM 
                 693 
                 O 
                 ALA 
                 A 
                 96 
                 36.340 
                 18.899 
                 −6.353 
                 1.00 
                 35.01 
                 A 
               
               
                 ATOM 
                 694 
                 N 
                 ASP 
                 A 
                 97 
                 34.358 
                 19.175 
                 −7.392 
                 1.00 
                 34.87 
                 A 
               
               
                 ATOM 
                 695 
                 CA 
                 ASP 
                 A 
                 97 
                 34.915 
                 20.110 
                 −8.377 
                 1.00 
                 34.02 
                 A 
               
               
                 ATOM 
                 696 
                 CB 
                 ASP 
                 A 
                 97 
                 33.874 
                 20.486 
                 −9.439 
                 1.00 
                 35.17 
                 A 
               
               
                 ATOM 
                 697 
                 CG 
                 ASP 
                 A 
                 97 
                 33.636 
                 19.385 
                 −10.457 
                 1.00 
                 36.22 
                 A 
               
               
                 ATOM 
                 698 
                 OD1 
                 ASP 
                 A 
                 97 
                 34.319 
                 18.338 
                 −10.405 
                 1.00 
                 37.31 
                 A 
               
               
                 ATOM 
                 699 
                 OD2 
                 ASP 
                 A 
                 97 
                 32.752 
                 19.580 
                 −11.318 
                 1.00 
                 35.57 
                 A 
               
               
                 ATOM 
                 700 
                 C 
                 ASP 
                 A 
                 97 
                 35.412 
                 21.393 
                 −7.725 
                 1.00 
                 34.14 
                 A 
               
               
                 ATOM 
                 701 
                 O 
                 ASP 
                 A 
                 97 
                 36.325 
                 22.052 
                 −8.232 
                 1.00 
                 33.33 
                 A 
               
               
                 ATOM 
                 702 
                 N 
                 THR 
                 A 
                 98 
                 34.791 
                 21.757 
                 −6.609 
                 1.00 
                 34.23 
                 A 
               
               
                 ATOM 
                 703 
                 CA 
                 THR 
                 A 
                 98 
                 35.155 
                 22.966 
                 −5.885 
                 1.00 
                 34.54 
                 A 
               
               
                 ATOM 
                 704 
                 CB 
                 THR 
                 A 
                 98 
                 34.095 
                 23.286 
                 −4.795 
                 1.00 
                 33.81 
                 A 
               
               
                 ATOM 
                 705 
                 OG1 
                 THR 
                 A 
                 98 
                 32.868 
                 23.653 
                 −5.433 
                 1.00 
                 32.38 
                 A 
               
               
                 ATOM 
                 706 
                 CG2 
                 THR 
                 A 
                 98 
                 34.551 
                 24.430 
                 −3.889 
                 1.00 
                 32.67 
                 A 
               
               
                 ATOM 
                 707 
                 C 
                 THR 
                 A 
                 98 
                 36.528 
                 22.809 
                 −5.242 
                 1.00 
                 35.23 
                 A 
               
               
                 ATOM 
                 708 
                 O 
                 THR 
                 A 
                 98 
                 37.356 
                 23.722 
                 −5.282 
                 1.00 
                 36.85 
                 A 
               
               
                 ATOM 
                 709 
                 N 
                 GLN 
                 A 
                 99 
                 36.764 
                 21.645 
                 −4.652 
                 1.00 
                 36.14 
                 A 
               
               
                 ATOM 
                 710 
                 CA 
                 GLN 
                 A 
                 99 
                 38.041 
                 21.361 
                 −4.005 
                 1.00 
                 38.58 
                 A 
               
               
                 ATOM 
                 711 
                 CB 
                 GLN 
                 A 
                 99 
                 37.919 
                 20.077 
                 −3.174 
                 1.00 
                 40.12 
                 A 
               
               
                 ATOM 
                 712 
                 CG 
                 GLN 
                 A 
                 99 
                 39.212 
                 19.594 
                 −2.530 
                 1.00 
                 44.11 
                 A 
               
               
                 ATOM 
                 713 
                 CD 
                 GLN 
                 A 
                 99 
                 38.962 
                 18.628 
                 −1.378 
                 1.00 
                 45.38 
                 A 
               
               
                 ATOM 
                 714 
                 OE1 
                 GLN 
                 A 
                 99 
                 38.046 
                 17.800 
                 −1.428 
                 1.00 
                 44.91 
                 A 
               
               
                 ATOM 
                 715 
                 NE2 
                 GLN 
                 A 
                 99 
                 39.784 
                 18.723 
                 −0.336 
                 1.00 
                 45.37 
                 A 
               
               
                 ATOM 
                 716 
                 C 
                 GLN 
                 A 
                 99 
                 39.121 
                 21.224 
                 −5.079 
                 1.00 
                 39.44 
                 A 
               
               
                 ATOM 
                 717 
                 O 
                 GLN 
                 A 
                 99 
                 40.309 
                 21.422 
                 −4.819 
                 1.00 
                 39.54 
                 A 
               
               
                 ATOM 
                 718 
                 N 
                 LYS 
                 A 
                 100 
                 38.693 
                 20.899 
                 −6.294 
                 1.00 
                 39.83 
                 A 
               
               
                 ATOM 
                 719 
                 CA 
                 LYS 
                 A 
                 100 
                 39.603 
                 20.754 
                 −7.423 
                 1.00 
                 41.72 
                 A 
               
               
                 ATOM 
                 720 
                 CB 
                 LYS 
                 A 
                 100 
                 38.913 
                 19.961 
                 −8.541 
                 1.00 
                 43.31 
                 A 
               
               
                 ATOM 
                 721 
                 CG 
                 LYS 
                 A 
                 100 
                 39.711 
                 19.870 
                 −9.841 
                 1.00 
                 47.29 
                 A 
               
               
                 ATOM 
                 722 
                 CD 
                 LYS 
                 A 
                 100 
                 38.870 
                 19.299 
                 −10.986 
                 1.00 
                 49.04 
                 A 
               
               
                 ATOM 
                 723 
                 CE 
                 LYS 
                 A 
                 100 
                 39.606 
                 19.396 
                 −12.327 
                 1.00 
                 50.86 
                 A 
               
               
                 ATOM 
                 724 
                 NZ 
                 LYS 
                 A 
                 100 
                 38.770 
                 18.967 
                 −13.495 
                 1.00 
                 52.06 
                 A 
               
               
                 ATOM 
                 725 
                 C 
                 LYS 
                 A 
                 100 
                 40.085 
                 22.113 
                 −7.970 
                 1.00 
                 41.64 
                 A 
               
               
                 ATOM 
                 726 
                 O 
                 LYS 
                 A 
                 100 
                 41.277 
                 22.294 
                 −8.241 
                 1.00 
                 42.73 
                 A 
               
               
                 ATOM 
                 727 
                 N 
                 HIS 
                 A 
                 101 
                 39.163 
                 23.062 
                 −8.126 
                 1.00 
                 40.66 
                 A 
               
               
                 ATOM 
                 728 
                 CA 
                 HIS 
                 A 
                 101 
                 39.494 
                 24.378 
                 −8.667 
                 1.00 
                 40.67 
                 A 
               
               
                 ATOM 
                 729 
                 CB 
                 HIS 
                 A 
                 101 
                 38.349 
                 24.901 
                 −9.546 
                 1.00 
                 41.87 
                 A 
               
               
                 ATOM 
                 730 
                 CG 
                 HIS 
                 A 
                 101 
                 38.153 
                 24.138 
                 −10.817 
                 1.00 
                 41.74 
                 A 
               
               
                 ATOM 
                 731 
                 CD2 
                 HIS 
                 A 
                 101 
                 38.455 
                 24.453 
                 −12.100 
                 1.00 
                 42.24 
                 A 
               
               
                 ATOM 
                 732 
                 ND1 
                 HIS 
                 A 
                 101 
                 37.587 
                 22.882 
                 −10.854 
                 1.00 
                 43.06 
                 A 
               
               
                 ATOM 
                 733 
                 CE1 
                 HIS 
                 A 
                 101 
                 37.547 
                 22.456 
                 −12.104 
                 1.00 
                 42.69 
                 A 
               
               
                 ATOM 
                 734 
                 NE2 
                 HIS 
                 A 
                 101 
                 38.069 
                 23.390 
                 −12.880 
                 1.00 
                 42.38 
                 A 
               
               
                 ATOM 
                 735 
                 C 
                 HIS 
                 A 
                 101 
                 39.835 
                 25.475 
                 −7.664 
                 1.00 
                 40.29 
                 A 
               
               
                 ATOM 
                 736 
                 O 
                 HIS 
                 A 
                 101 
                 40.307 
                 26.537 
                 −8.065 
                 1.00 
                 41.90 
                 A 
               
               
                 ATOM 
                 737 
                 N 
                 LEU 
                 A 
                 102 
                 39.598 
                 25.243 
                 −6.376 
                 1.00 
                 39.72 
                 A 
               
               
                 ATOM 
                 738 
                 CA 
                 LEU 
                 A 
                 102 
                 39.869 
                 26.279 
                 −5.378 
                 1.00 
                 38.61 
                 A 
               
               
                 ATOM 
                 739 
                 CB 
                 LEU 
                 A 
                 102 
                 38.589 
                 27.073 
                 −5.068 
                 1.00 
                 37.62 
                 A 
               
               
                 ATOM 
                 740 
                 CG 
                 LEU 
                 A 
                 102 
                 37.875 
                 27.877 
                 −6.156 
                 1.00 
                 37.33 
                 A 
               
               
                 ATOM 
                 741 
                 CD1 
                 LEU 
                 A 
                 102 
                 36.523 
                 28.356 
                 −5.621 
                 1.00 
                 37.68 
                 A 
               
               
                 ATOM 
                 742 
                 CD2 
                 LEU 
                 A 
                 102 
                 38.736 
                 29.062 
                 −6.586 
                 1.00 
                 38.82 
                 A 
               
               
                 ATOM 
                 743 
                 C 
                 LEU 
                 A 
                 102 
                 40.412 
                 25.735 
                 −4.069 
                 1.00 
                 37.71 
                 A 
               
               
                 ATOM 
                 744 
                 O 
                 LEU 
                 A 
                 102 
                 40.259 
                 24.558 
                 −3.756 
                 1.00 
                 37.42 
                 A 
               
               
                 ATOM 
                 745 
                 N 
                 PRO 
                 A 
                 103 
                 41.055 
                 26.603 
                 −3.279 
                 1.00 
                 38.28 
                 A 
               
               
                 ATOM 
                 746 
                 CD 
                 PRO 
                 A 
                 103 
                 41.519 
                 27.947 
                 −3.660 
                 1.00 
                 38.45 
                 A 
               
               
                 ATOM 
                 747 
                 CA 
                 PRO 
                 A 
                 103 
                 41.620 
                 26.209 
                 −1.988 
                 1.00 
                 38.75 
                 A 
               
               
                 ATOM 
                 748 
                 CB 
                 PRO 
                 A 
                 103 
                 42.559 
                 27.367 
                 −1.647 
                 1.00 
                 39.03 
                 A 
               
               
                 ATOM 
                 749 
                 CG 
                 PRO 
                 A 
                 103 
                 42.849 
                 28.006 
                 −2.977 
                 1.00 
                 39.90 
                 A 
               
               
                 ATOM 
                 750 
                 C 
                 PRO 
                 A 
                 103 
                 40.501 
                 26.084 
                 −0.962 
                 1.00 
                 38.05 
                 A 
               
               
                 ATOM 
                 751 
                 O 
                 PRO 
                 A 
                 103 
                 39.871 
                 27.079 
                 −0.608 
                 1.00 
                 39.88 
                 A 
               
               
                 ATOM 
                 752 
                 N 
                 VAL 
                 A 
                 104 
                 40.232 
                 24.867 
                 −0.507 
                 1.00 
                 38.36 
                 A 
               
               
                 ATOM 
                 753 
                 CA 
                 VAL 
                 A 
                 104 
                 39.196 
                 24.658 
                 0.492 
                 1.00 
                 38.23 
                 A 
               
               
                 ATOM 
                 754 
                 CB 
                 VAL 
                 A 
                 104 
                 38.300 
                 23.457 
                 0.126 
                 1.00 
                 37.32 
                 A 
               
               
                 ATOM 
                 755 
                 CG1 
                 VAL 
                 A 
                 104 
                 37.288 
                 23.195 
                 1.226 
                 1.00 
                 35.34 
                 A 
               
               
                 ATOM 
                 756 
                 CG2 
                 VAL 
                 A 
                 104 
                 37.582 
                 23.748 
                 −1.190 
                 1.00 
                 37.51 
                 A 
               
               
                 ATOM 
                 757 
                 C 
                 VAL 
                 A 
                 104 
                 39.902 
                 24.426 
                 1.819 
                 1.00 
                 39.33 
                 A 
               
               
                 ATOM 
                 758 
                 O 
                 VAL 
                 A 
                 104 
                 40.699 
                 23.503 
                 1.963 
                 1.00 
                 39.67 
                 A 
               
               
                 ATOM 
                 759 
                 N 
                 SER 
                 A 
                 105 
                 39.604 
                 25.284 
                 2.783 
                 1.00 
                 39.48 
                 A 
               
               
                 ATOM 
                 760 
                 CA 
                 SER 
                 A 
                 105 
                 40.228 
                 25.230 
                 4.098 
                 1.00 
                 38.55 
                 A 
               
               
                 ATOM 
                 761 
                 CB 
                 SER 
                 A 
                 105 
                 40.410 
                 26.658 
                 4.613 
                 1.00 
                 37.61 
                 A 
               
               
                 ATOM 
                 762 
                 OG 
                 SER 
                 A 
                 105 
                 39.157 
                 27.324 
                 4.641 
                 1.00 
                 38.92 
                 A 
               
               
                 ATOM 
                 763 
                 C 
                 SER 
                 A 
                 105 
                 39.452 
                 24.421 
                 5.127 
                 1.00 
                 37.52 
                 A 
               
               
                 ATOM 
                 764 
                 O 
                 SER 
                 A 
                 105 
                 39.991 
                 24.060 
                 6.176 
                 1.00 
                 36.61 
                 A 
               
               
                 ATOM 
                 765 
                 N 
                 MET 
                 A 
                 106 
                 38.188 
                 24.132 
                 4.836 
                 1.00 
                 36.90 
                 A 
               
               
                 ATOM 
                 766 
                 CA 
                 MET 
                 A 
                 106 
                 37.368 
                 23.387 
                 5.773 
                 1.00 
                 35.42 
                 A 
               
               
                 ATOM 
                 767 
                 CB 
                 MET 
                 A 
                 106 
                 37.114 
                 24.245 
                 7.013 
                 1.00 
                 39.45 
                 A 
               
               
                 ATOM 
                 768 
                 CG 
                 MET 
                 A 
                 106 
                 36.289 
                 23.574 
                 8.088 
                 1.00 
                 44.17 
                 A 
               
               
                 ATOM 
                 769 
                 SD 
                 MET 
                 A 
                 106 
                 36.685 
                 24.199 
                 9.727 
                 1.00 
                 52.21 
                 A 
               
               
                 ATOM 
                 770 
                 CE 
                 MET 
                 A 
                 106 
                 35.296 
                 25.277 
                 10.026 
                 1.00 
                 49.49 
                 A 
               
               
                 ATOM 
                 771 
                 C 
                 MET 
                 A 
                 106 
                 36.036 
                 23.000 
                 5.147 
                 1.00 
                 34.14 
                 A 
               
               
                 ATOM 
                 772 
                 O 
                 MET 
                 A 
                 106 
                 35.596 
                 23.624 
                 4.187 
                 1.00 
                 31.92 
                 A 
               
               
                 ATOM 
                 773 
                 N 
                 PHE 
                 A 
                 107 
                 35.413 
                 21.969 
                 5.706 
                 1.00 
                 31.68 
                 A 
               
               
                 ATOM 
                 774 
                 CA 
                 PHE 
                 A 
                 107 
                 34.116 
                 21.479 
                 5.251 
                 1.00 
                 32.11 
                 A 
               
               
                 ATOM 
                 775 
                 CB 
                 PHE 
                 A 
                 107 
                 34.186 
                 19.993 
                 4.869 
                 1.00 
                 32.56 
                 A 
               
               
                 ATOM 
                 776 
                 CG 
                 PHE 
                 A 
                 107 
                 35.046 
                 19.685 
                 3.674 
                 1.00 
                 32.69 
                 A 
               
               
                 ATOM 
                 777 
                 CD1 
                 PHE 
                 A 
                 107 
                 36.107 
                 18.789 
                 3.787 
                 1.00 
                 33.01 
                 A 
               
               
                 ATOM 
                 778 
                 CD2 
                 PHE 
                 A 
                 107 
                 34.756 
                 20.223 
                 2.425 
                 1.00 
                 34.08 
                 A 
               
               
                 ATOM 
                 779 
                 CE1 
                 PHE 
                 A 
                 107 
                 36.865 
                 18.429 
                 2.675 
                 1.00 
                 33.52 
                 A 
               
               
                 ATOM 
                 780 
                 CE2 
                 PHE 
                 A 
                 107 
                 35.514 
                 19.867 
                 1.296 
                 1.00 
                 35.10 
                 A 
               
               
                 ATOM 
                 781 
                 CZ 
                 PHE 
                 A 
                 107 
                 36.565 
                 18.969 
                 1.426 
                 1.00 
                 34.67 
                 A 
               
               
                 ATOM 
                 782 
                 C 
                 PHE 
                 A 
                 107 
                 33.107 
                 21.581 
                 6.395 
                 1.00 
                 30.99 
                 A 
               
               
                 ATOM 
                 783 
                 O 
                 PHE 
                 A 
                 107 
                 33.445 
                 21.943 
                 7.525 
                 1.00 
                 30.91 
                 A 
               
               
                 ATOM 
                 784 
                 N 
                 ALA 
                 A 
                 108 
                 31.861 
                 21.248 
                 6.082 
                 1.00 
                 31.37 
                 A 
               
               
                 ATOM 
                 785 
                 CA 
                 ALA 
                 A 
                 108 
                 30.798 
                 21.204 
                 7.071 
                 1.00 
                 29.87 
                 A 
               
               
                 ATOM 
                 786 
                 CB 
                 ALA 
                 A 
                 108 
                 30.384 
                 22.603 
                 7.494 
                 1.00 
                 29.38 
                 A 
               
               
                 ATOM 
                 787 
                 C 
                 ALA 
                 A 
                 108 
                 29.629 
                 20.457 
                 6.441 
                 1.00 
                 30.97 
                 A 
               
               
                 ATOM 
                 788 
                 O 
                 ALA 
                 A 
                 108 
                 29.518 
                 20.383 
                 5.211 
                 1.00 
                 29.63 
                 A 
               
               
                 ATOM 
                 789 
                 N 
                 ILE 
                 A 
                 109 
                 28.790 
                 19.855 
                 7.274 
                 1.00 
                 31.61 
                 A 
               
               
                 ATOM 
                 790 
                 CA 
                 ILE 
                 A 
                 109 
                 27.624 
                 19.156 
                 6.763 
                 1.00 
                 33.76 
                 A 
               
               
                 ATOM 
                 791 
                 CB 
                 ILE 
                 A 
                 109 
                 27.718 
                 17.627 
                 6.925 
                 1.00 
                 35.00 
                 A 
               
               
                 ATOM 
                 792 
                 CG2 
                 ILE 
                 A 
                 109 
                 28.841 
                 17.086 
                 6.047 
                 1.00 
                 34.55 
                 A 
               
               
                 ATOM 
                 793 
                 CG1 
                 ILE 
                 A 
                 109 
                 27.911 
                 17.261 
                 8.398 
                 1.00 
                 35.82 
                 A 
               
               
                 ATOM 
                 794 
                 CD1 
                 ILE 
                 A 
                 109 
                 27.901 
                 15.782 
                 8.661 
                 1.00 
                 39.05 
                 A 
               
               
                 ATOM 
                 795 
                 C 
                 ILE 
                 A 
                 109 
                 26.427 
                 19.671 
                 7.524 
                 1.00 
                 35.47 
                 A 
               
               
                 ATOM 
                 796 
                 O 
                 ILE 
                 A 
                 109 
                 26.553 
                 20.197 
                 8.634 
                 1.00 
                 34.00 
                 A 
               
               
                 ATOM 
                 797 
                 N 
                 ASP 
                 A 
                 110 
                 25.262 
                 19.526 
                 6.911 
                 1.00 
                 35.28 
                 A 
               
               
                 ATOM 
                 798 
                 CA 
                 ASP 
                 A 
                 110 
                 24.032 
                 20.002 
                 7.499 
                 1.00 
                 36.47 
                 A 
               
               
                 ATOM 
                 799 
                 CB 
                 ASP 
                 A 
                 110 
                 23.577 
                 21.231 
                 6.710 
                 1.00 
                 39.55 
                 A 
               
               
                 ATOM 
                 800 
                 CG 
                 ASP 
                 A 
                 110 
                 23.876 
                 22.526 
                 7.408 
                 1.00 
                 42.35 
                 A 
               
               
                 ATOM 
                 801 
                 OD1 
                 ASP 
                 A 
                 110 
                 24.816 
                 22.555 
                 8.227 
                 1.00 
                 42.34 
                 A 
               
               
                 ATOM 
                 802 
                 OD2 
                 ASP 
                 A 
                 110 
                 23.155 
                 23.514 
                 7.144 
                 1.00 
                 45.22 
                 A 
               
               
                 ATOM 
                 803 
                 C 
                 ASP 
                 A 
                 110 
                 22.997 
                 18.886 
                 7.419 
                 1.00 
                 34.76 
                 A 
               
               
                 ATOM 
                 804 
                 O 
                 ASP 
                 A 
                 110 
                 22.944 
                 18.147 
                 6.437 
                 1.00 
                 31.82 
                 A 
               
               
                 ATOM 
                 805 
                 N 
                 GLY 
                 A 
                 111 
                 22.195 
                 18.762 
                 8.470 
                 1.00 
                 33.94 
                 A 
               
               
                 ATOM 
                 806 
                 CA 
                 GLY 
                 A 
                 111 
                 21.156 
                 17.755 
                 8.509 
                 1.00 
                 35.79 
                 A 
               
               
                 ATOM 
                 807 
                 C 
                 GLY 
                 A 
                 111 
                 19.931 
                 18.330 
                 9.201 
                 1.00 
                 35.96 
                 A 
               
               
                 ATOM 
                 808 
                 O 
                 GLY 
                 A 
                 111 
                 19.957 
                 19.465 
                 9.672 
                 1.00 
                 35.30 
                 A 
               
               
                 ATOM 
                 809 
                 N 
                 GLU 
                 A 
                 112 
                 18.855 
                 17.553 
                 9.244 
                 1.00 
                 37.97 
                 A 
               
               
                 ATOM 
                 810 
                 CA 
                 GLU 
                 A 
                 112 
                 17.613 
                 17.962 
                 9.893 
                 1.00 
                 38.66 
                 A 
               
               
                 ATOM 
                 811 
                 CB 
                 GLU 
                 A 
                 112 
                 16.502 
                 18.123 
                 8.850 
                 1.00 
                 39.80 
                 A 
               
               
                 ATOM 
                 812 
                 CG 
                 GLU 
                 A 
                 112 
                 15.336 
                 19.019 
                 9.264 
                 1.00 
                 38.95 
                 A 
               
               
                 ATOM 
                 813 
                 CD 
                 GLU 
                 A 
                 112 
                 14.378 
                 18.352 
                 10.240 
                 1.00 
                 40.97 
                 A 
               
               
                 ATOM 
                 814 
                 OE1 
                 GLU 
                 A 
                 112 
                 13.934 
                 17.222 
                 9.952 
                 1.00 
                 41.18 
                 A 
               
               
                 ATOM 
                 815 
                 OE2 
                 GLU 
                 A 
                 112 
                 14.060 
                 18.964 
                 11.285 
                 1.00 
                 40.91 
                 A 
               
               
                 ATOM 
                 816 
                 C 
                 GLU 
                 A 
                 112 
                 17.311 
                 16.810 
                 10.845 
                 1.00 
                 39.79 
                 A 
               
               
                 ATOM 
                 817 
                 O 
                 GLU 
                 A 
                 112 
                 17.540 
                 15.654 
                 10.505 
                 1.00 
                 40.11 
                 A 
               
               
                 ATOM 
                 818 
                 N 
                 VAL 
                 A 
                 113 
                 16.808 
                 17.118 
                 12.034 
                 1.00 
                 41.22 
                 A 
               
               
                 ATOM 
                 819 
                 CA 
                 VAL 
                 A 
                 113 
                 16.536 
                 16.082 
                 13.027 
                 1.00 
                 42.17 
                 A 
               
               
                 ATOM 
                 820 
                 CB 
                 VAL 
                 A 
                 113 
                 16.051 
                 16.700 
                 14.363 
                 1.00 
                 41.43 
                 A 
               
               
                 ATOM 
                 821 
                 CG1 
                 VAL 
                 A 
                 113 
                 17.131 
                 17.595 
                 14.931 
                 1.00 
                 40.29 
                 A 
               
               
                 ATOM 
                 822 
                 CG2 
                 VAL 
                 A 
                 113 
                 14.762 
                 17.478 
                 14.153 
                 1.00 
                 39.96 
                 A 
               
               
                 ATOM 
                 823 
                 C 
                 VAL 
                 A 
                 113 
                 15.557 
                 14.989 
                 12.616 
                 1.00 
                 43.71 
                 A 
               
               
                 ATOM 
                 824 
                 O 
                 VAL 
                 A 
                 113 
                 15.492 
                 13.939 
                 13.251 
                 1.00 
                 45.17 
                 A 
               
               
                 ATOM 
                 825 
                 N 
                 THR 
                 A 
                 114 
                 14.802 
                 15.222 
                 11.553 
                 1.00 
                 45.21 
                 A 
               
               
                 ATOM 
                 826 
                 CA 
                 THR 
                 A 
                 114 
                 13.843 
                 14.226 
                 11.104 
                 1.00 
                 46.88 
                 A 
               
               
                 ATOM 
                 827 
                 CB 
                 THR 
                 A 
                 114 
                 12.410 
                 14.782 
                 11.146 
                 1.00 
                 48.04 
                 A 
               
               
                 ATOM 
                 828 
                 OG1 
                 THR 
                 A 
                 114 
                 12.160 
                 15.360 
                 12.433 
                 1.00 
                 51.16 
                 A 
               
               
                 ATOM 
                 829 
                 CG2 
                 THR 
                 A 
                 114 
                 11.405 
                 13.675 
                 10.900 
                 1.00 
                 50.04 
                 A 
               
               
                 ATOM 
                 830 
                 C 
                 THR 
                 A 
                 114 
                 14.126 
                 13.764 
                 9.681 
                 1.00 
                 46.51 
                 A 
               
               
                 ATOM 
                 831 
                 O 
                 THR 
                 A 
                 114 
                 13.642 
                 12.715 
                 9.256 
                 1.00 
                 47.78 
                 A 
               
               
                 ATOM 
                 832 
                 N 
                 GLY 
                 A 
                 115 
                 14.910 
                 14.545 
                 8.946 
                 1.00 
                 43.52 
                 A 
               
               
                 ATOM 
                 833 
                 CA 
                 GLY 
                 A 
                 115 
                 15.202 
                 14.182 
                 7.572 
                 1.00 
                 43.24 
                 A 
               
               
                 ATOM 
                 834 
                 C 
                 GLY 
                 A 
                 115 
                 16.606 
                 13.680 
                 7.324 
                 1.00 
                 41.33 
                 A 
               
               
                 ATOM 
                 835 
                 O 
                 GLY 
                 A 
                 115 
                 16.873 
                 13.058 
                 6.294 
                 1.00 
                 42.99 
                 A 
               
               
                 ATOM 
                 836 
                 N 
                 GLY 
                 A 
                 116 
                 17.507 
                 13.954 
                 8.259 
                 1.00 
                 40.18 
                 A 
               
               
                 ATOM 
                 837 
                 CA 
                 GLY 
                 A 
                 116 
                 18.881 
                 13.509 
                 8.102 
                 1.00 
                 38.86 
                 A 
               
               
                 ATOM 
                 838 
                 C 
                 GLY 
                 A 
                 116 
                 19.699 
                 14.416 
                 7.202 
                 1.00 
                 36.69 
                 A 
               
               
                 ATOM 
                 839 
                 O 
                 GLY 
                 A 
                 116 
                 19.308 
                 15.543 
                 6.940 
                 1.00 
                 36.36 
                 A 
               
               
                 ATOM 
                 840 
                 N 
                 PHE 
                 A 
                 117 
                 20.827 
                 13.905 
                 6.724 
                 1.00 
                 36.25 
                 A 
               
               
                 ATOM 
                 841 
                 CA 
                 PHE 
                 A 
                 117 
                 21.749 
                 14.649 
                 5.862 
                 1.00 
                 35.53 
                 A 
               
               
                 ATOM 
                 842 
                 CB 
                 PHE 
                 A 
                 117 
                 22.828 
                 13.706 
                 5.325 
                 1.00 
                 34.63 
                 A 
               
               
                 ATOM 
                 843 
                 CG 
                 PHE 
                 A 
                 117 
                 23.756 
                 14.350 
                 4.329 
                 1.00 
                 33.58 
                 A 
               
               
                 ATOM 
                 844 
                 CD1 
                 PHE 
                 A 
                 117 
                 24.874 
                 15.059 
                 4.755 
                 1.00 
                 32.41 
                 A 
               
               
                 ATOM 
                 845 
                 CD2 
                 PHE 
                 A 
                 117 
                 23.502 
                 14.255 
                 2.961 
                 1.00 
                 32.56 
                 A 
               
               
                 ATOM 
                 846 
                 CE1 
                 PHE 
                 A 
                 117 
                 25.737 
                 15.666 
                 3.836 
                 1.00 
                 31.07 
                 A 
               
               
                 ATOM 
                 847 
                 CE2 
                 PHE 
                 A 
                 117 
                 24.357 
                 14.859 
                 2.032 
                 1.00 
                 31.84 
                 A 
               
               
                 ATOM 
                 848 
                 CZ 
                 PHE 
                 A 
                 117 
                 25.479 
                 15.566 
                 2.474 
                 1.00 
                 31.62 
                 A 
               
               
                 ATOM 
                 849 
                 C 
                 PHE 
                 A 
                 117 
                 21.081 
                 15.337 
                 4.675 
                 1.00 
                 35.92 
                 A 
               
               
                 ATOM 
                 850 
                 O 
                 PHE 
                 A 
                 117 
                 20.229 
                 14.743 
                 4.012 
                 1.00 
                 35.06 
                 A 
               
               
                 ATOM 
                 851 
                 N 
                 LYS 
                 A 
                 118 
                 21.491 
                 16.576 
                 4.395 
                 1.00 
                 34.72 
                 A 
               
               
                 ATOM 
                 852 
                 CA 
                 LYS 
                 A 
                 118 
                 20.937 
                 17.315 
                 3.265 
                 1.00 
                 34.75 
                 A 
               
               
                 ATOM 
                 853 
                 CB 
                 LYS 
                 A 
                 118 
                 19.691 
                 18.098 
                 3.698 
                 1.00 
                 36.47 
                 A 
               
               
                 ATOM 
                 854 
                 CG 
                 LYS 
                 A 
                 118 
                 19.918 
                 19.142 
                 4.783 
                 1.00 
                 37.72 
                 A 
               
               
                 ATOM 
                 855 
                 CD 
                 LYS 
                 A 
                 118 
                 18.714 
                 20.079 
                 4.867 
                 1.00 
                 40.72 
                 A 
               
               
                 ATOM 
                 856 
                 CE 
                 LYS 
                 A 
                 118 
                 18.968 
                 21.253 
                 5.807 
                 1.00 
                 39.89 
                 A 
               
               
                 ATOM 
                 857 
                 NZ 
                 LYS 
                 A 
                 118 
                 17.892 
                 22.284 
                 5.712 
                 1.00 
                 39.12 
                 A 
               
               
                 ATOM 
                 858 
                 C 
                 LYS 
                 A 
                 118 
                 21.920 
                 18.251 
                 2.546 
                 1.00 
                 32.27 
                 A 
               
               
                 ATOM 
                 859 
                 O 
                 LYS 
                 A 
                 118 
                 21.713 
                 18.584 
                 1.380 
                 1.00 
                 29.66 
                 A 
               
               
                 ATOM 
                 860 
                 N 
                 LYS 
                 A 
                 119 
                 22.992 
                 18.672 
                 3.218 
                 1.00 
                 31.59 
                 A 
               
               
                 ATOM 
                 861 
                 CA 
                 LYS 
                 A 
                 119 
                 23.955 
                 19.551 
                 2.564 
                 1.00 
                 30.61 
                 A 
               
               
                 ATOM 
                 862 
                 CB 
                 LYS 
                 A 
                 119 
                 23.400 
                 20.985 
                 2.489 
                 1.00 
                 34.11 
                 A 
               
               
                 ATOM 
                 863 
                 CG 
                 LYS 
                 A 
                 119 
                 22.923 
                 21.579 
                 3.783 
                 1.00 
                 34.64 
                 A 
               
               
                 ATOM 
                 864 
                 CD 
                 LYS 
                 A 
                 119 
                 22.230 
                 22.956 
                 3.600 
                 1.00 
                 33.28 
                 A 
               
               
                 ATOM 
                 865 
                 CE 
                 LYS 
                 A 
                 119 
                 23.155 
                 23.995 
                 2.982 
                 1.00 
                 32.16 
                 A 
               
               
                 ATOM 
                 866 
                 NZ 
                 LYS 
                 A 
                 119 
                 22.817 
                 25.404 
                 3.328 
                 1.00 
                 29.97 
                 A 
               
               
                 ATOM 
                 867 
                 C 
                 LYS 
                 A 
                 119 
                 25.381 
                 19.578 
                 3.110 
                 1.00 
                 30.58 
                 A 
               
               
                 ATOM 
                 868 
                 O 
                 LYS 
                 A 
                 119 
                 25.657 
                 19.174 
                 4.246 
                 1.00 
                 28.47 
                 A 
               
               
                 ATOM 
                 869 
                 N 
                 THR 
                 A 
                 120 
                 26.298 
                 20.021 
                 2.258 
                 1.00 
                 31.56 
                 A 
               
               
                 ATOM 
                 870 
                 CA 
                 THR 
                 A 
                 120 
                 27.702 
                 20.156 
                 2.637 
                 1.00 
                 30.27 
                 A 
               
               
                 ATOM 
                 871 
                 CB 
                 THR 
                 A 
                 120 
                 28.645 
                 19.319 
                 1.749 
                 1.00 
                 29.70 
                 A 
               
               
                 ATOM 
                 872 
                 OG1 
                 THR 
                 A 
                 120 
                 28.467 
                 19.710 
                 0.381 
                 1.00 
                 28.77 
                 A 
               
               
                 ATOM 
                 873 
                 CG2 
                 THR 
                 A 
                 120 
                 28.370 
                 17.841 
                 1.904 
                 1.00 
                 28.77 
                 A 
               
               
                 ATOM 
                 874 
                 C 
                 THR 
                 A 
                 120 
                 28.071 
                 21.605 
                 2.417 
                 1.00 
                 30.38 
                 A 
               
               
                 ATOM 
                 875 
                 O 
                 THR 
                 A 
                 120 
                 27.333 
                 22.356 
                 1.760 
                 1.00 
                 29.15 
                 A 
               
               
                 ATOM 
                 876 
                 N 
                 TYR 
                 A 
                 121 
                 29.226 
                 21.984 
                 2.952 
                 1.00 
                 28.30 
                 A 
               
               
                 ATOM 
                 877 
                 CA 
                 TYR 
                 A 
                 121 
                 29.740 
                 23.332 
                 2.817 
                 1.00 
                 29.10 
                 A 
               
               
                 ATOM 
                 878 
                 CB 
                 TYR 
                 A 
                 121 
                 29.632 
                 24.107 
                 4.136 
                 1.00 
                 30.57 
                 A 
               
               
                 ATOM 
                 879 
                 CG 
                 TYR 
                 A 
                 121 
                 28.233 
                 24.402 
                 4.611 
                 1.00 
                 31.61 
                 A 
               
               
                 ATOM 
                 880 
                 CD1 
                 TYR 
                 A 
                 121 
                 27.450 
                 23.416 
                 5.208 
                 1.00 
                 32.95 
                 A 
               
               
                 ATOM 
                 881 
                 CE1 
                 TYR 
                 A 
                 121 
                 26.160 
                 23.692 
                 5.650 
                 1.00 
                 33.00 
                 A 
               
               
                 ATOM 
                 882 
                 CD2 
                 TYR 
                 A 
                 121 
                 27.692 
                 25.674 
                 4.468 
                 1.00 
                 33.43 
                 A 
               
               
                 ATOM 
                 883 
                 CE2 
                 TYR 
                 A 
                 121 
                 26.406 
                 25.959 
                 4.903 
                 1.00 
                 35.44 
                 A 
               
               
                 ATOM 
                 884 
                 CZ 
                 TYR 
                 A 
                 121 
                 25.648 
                 24.966 
                 5.488 
                 1.00 
                 33.78 
                 A 
               
               
                 ATOM 
                 885 
                 OH 
                 TYR 
                 A 
                 121 
                 24.369 
                 25.259 
                 5.885 
                 1.00 
                 36.41 
                 A 
               
               
                 ATOM 
                 886 
                 C 
                 TYR 
                 A 
                 121 
                 31.215 
                 23.250 
                 2.461 
                 1.00 
                 28.23 
                 A 
               
               
                 ATOM 
                 887 
                 O 
                 TYR 
                 A 
                 121 
                 31.916 
                 22.330 
                 2.881 
                 1.00 
                 27.61 
                 A 
               
               
                 ATOM 
                 888 
                 N 
                 ALA 
                 A 
                 122 
                 31.675 
                 24.212 
                 1.679 
                 1.00 
                 29.43 
                 A 
               
               
                 ATOM 
                 889 
                 CA 
                 ALA 
                 A 
                 122 
                 33.079 
                 24.284 
                 1.324 
                 1.00 
                 30.31 
                 A 
               
               
                 ATOM 
                 890 
                 CB 
                 ALA 
                 A 
                 122 
                 33.258 
                 24.126 
                 −0.168 
                 1.00 
                 29.87 
                 A 
               
               
                 ATOM 
                 891 
                 C 
                 ALA 
                 A 
                 122 
                 33.512 
                 25.677 
                 1.775 
                 1.00 
                 30.35 
                 A 
               
               
                 ATOM 
                 892 
                 O 
                 ALA 
                 A 
                 122 
                 32.971 
                 26.675 
                 1.305 
                 1.00 
                 30.95 
                 A 
               
               
                 ATOM 
                 893 
                 N 
                 PHE 
                 A 
                 123 
                 34.456 
                 25.740 
                 2.710 
                 1.00 
                 30.19 
                 A 
               
               
                 ATOM 
                 894 
                 CA 
                 PHE 
                 A 
                 123 
                 34.945 
                 27.023 
                 3.212 
                 1.00 
                 31.04 
                 A 
               
               
                 ATOM 
                 895 
                 CB 
                 PHE 
                 A 
                 123 
                 35.185 
                 26.982 
                 4.728 
                 1.00 
                 32.77 
                 A 
               
               
                 ATOM 
                 896 
                 CG 
                 PHE 
                 A 
                 123 
                 33.937 
                 26.889 
                 5.543 
                 1.00 
                 33.65 
                 A 
               
               
                 ATOM 
                 897 
                 CD1 
                 PHE 
                 A 
                 123 
                 33.215 
                 25.702 
                 5.601 
                 1.00 
                 34.51 
                 A 
               
               
                 ATOM 
                 898 
                 CD2 
                 PHE 
                 A 
                 123 
                 33.489 
                 27.988 
                 6.273 
                 1.00 
                 36.59 
                 A 
               
               
                 ATOM 
                 899 
                 CE1 
                 PHE 
                 A 
                 123 
                 32.054 
                 25.608 
                 6.384 
                 1.00 
                 36.52 
                 A 
               
               
                 ATOM 
                 900 
                 CE2 
                 PHE 
                 A 
                 123 
                 32.330 
                 27.908 
                 7.061 
                 1.00 
                 36.10 
                 A 
               
               
                 ATOM 
                 901 
                 CZ 
                 PHE 
                 A 
                 123 
                 31.616 
                 26.719 
                 7.115 
                 1.00 
                 34.21 
                 A 
               
               
                 ATOM 
                 902 
                 C 
                 PHE 
                 A 
                 123 
                 36.257 
                 27.385 
                 2.547 
                 1.00 
                 32.63 
                 A 
               
               
                 ATOM 
                 903 
                 O 
                 PHE 
                 A 
                 123 
                 37.079 
                 26.507 
                 2.265 
                 1.00 
                 34.75 
                 A 
               
               
                 ATOM 
                 904 
                 N 
                 PHE 
                 A 
                 124 
                 36.467 
                 28.676 
                 2.312 
                 1.00 
                 32.86 
                 A 
               
               
                 ATOM 
                 905 
                 CA 
                 PHE 
                 A 
                 124 
                 37.706 
                 29.123 
                 1.702 
                 1.00 
                 33.91 
                 A 
               
               
                 ATOM 
                 906 
                 CB 
                 PHE 
                 A 
                 124 
                 37.410 
                 29.930 
                 0.441 
                 1.00 
                 33.32 
                 A 
               
               
                 ATOM 
                 907 
                 CG 
                 PHE 
                 A 
                 124 
                 36.423 
                 29.261 
                 −0.479 
                 1.00 
                 32.63 
                 A 
               
               
                 ATOM 
                 908 
                 CD1 
                 PHE 
                 A 
                 124 
                 35.106 
                 29.712 
                 −0.555 
                 1.00 
                 31.58 
                 A 
               
               
                 ATOM 
                 909 
                 CD2 
                 PHE 
                 A 
                 124 
                 36.797 
                 28.158 
                 −1.241 
                 1.00 
                 33.35 
                 A 
               
               
                 ATOM 
                 910 
                 CE1 
                 PHE 
                 A 
                 124 
                 34.179 
                 29.068 
                 −1.377 
                 1.00 
                 34.49 
                 A 
               
               
                 ATOM 
                 911 
                 CE2 
                 PHE 
                 A 
                 124 
                 35.877 
                 27.504 
                 −2.067 
                 1.00 
                 33.34 
                 A 
               
               
                 ATOM 
                 912 
                 CZ 
                 PHE 
                 A 
                 124 
                 34.569 
                 27.957 
                 −2.135 
                 1.00 
                 33.17 
                 A 
               
               
                 ATOM 
                 913 
                 C 
                 PHE 
                 A 
                 124 
                 38.495 
                 29.959 
                 2.703 
                 1.00 
                 33.67 
                 A 
               
               
                 ATOM 
                 914 
                 O 
                 PHE 
                 A 
                 124 
                 37.940 
                 30.463 
                 3.681 
                 1.00 
                 33.97 
                 A 
               
               
                 ATOM 
                 915 
                 N 
                 PRO 
                 A 
                 125 
                 39.814 
                 30.079 
                 2.495 
                 1.00 
                 35.21 
                 A 
               
               
                 ATOM 
                 916 
                 CD 
                 PRO 
                 A 
                 125 
                 40.642 
                 29.338 
                 1.527 
                 1.00 
                 35.76 
                 A 
               
               
                 ATOM 
                 917 
                 CA 
                 PRO 
                 A 
                 125 
                 40.660 
                 30.866 
                 3.397 
                 1.00 
                 34.83 
                 A 
               
               
                 ATOM 
                 918 
                 CB 
                 PRO 
                 A 
                 125 
                 42.048 
                 30.718 
                 2.776 
                 1.00 
                 35.56 
                 A 
               
               
                 ATOM 
                 919 
                 CG 
                 PRO 
                 A 
                 125 
                 41.995 
                 29.336 
                 2.207 
                 1.00 
                 35.73 
                 A 
               
               
                 ATOM 
                 920 
                 C 
                 PRO 
                 A 
                 125 
                 40.192 
                 32.310 
                 3.439 
                 1.00 
                 34.10 
                 A 
               
               
                 ATOM 
                 921 
                 O 
                 PRO 
                 A 
                 125 
                 39.948 
                 32.925 
                 2.405 
                 1.00 
                 34.97 
                 A 
               
               
                 ATOM 
                 922 
                 N 
                 THR 
                 A 
                 126 
                 40.056 
                 32.846 
                 4.645 
                 1.00 
                 36.61 
                 A 
               
               
                 ATOM 
                 923 
                 CA 
                 THR 
                 A 
                 126 
                 39.605 
                 34.217 
                 4.822 
                 1.00 
                 38.10 
                 A 
               
               
                 ATOM 
                 924 
                 CB 
                 THR 
                 A 
                 126 
                 39.556 
                 34.572 
                 6.319 
                 1.00 
                 37.99 
                 A 
               
               
                 ATOM 
                 925 
                 OG1 
                 THR 
                 A 
                 126 
                 38.725 
                 33.620 
                 6.991 
                 1.00 
                 42.36 
                 A 
               
               
                 ATOM 
                 926 
                 CG2 
                 THR 
                 A 
                 126 
                 38.977 
                 35.966 
                 6.535 
                 1.00 
                 41.12 
                 A 
               
               
                 ATOM 
                 927 
                 C 
                 THR 
                 A 
                 126 
                 40.492 
                 35.218 
                 4.085 
                 1.00 
                 37.53 
                 A 
               
               
                 ATOM 
                 928 
                 O 
                 THR 
                 A 
                 126 
                 40.014 
                 36.258 
                 3.635 
                 1.00 
                 37.06 
                 A 
               
               
                 ATOM 
                 929 
                 N 
                 ASP 
                 A 
                 127 
                 41.777 
                 34.897 
                 3.940 
                 1.00 
                 39.58 
                 A 
               
               
                 ATOM 
                 930 
                 CA 
                 ASP 
                 A 
                 127 
                 42.701 
                 35.801 
                 3.263 
                 1.00 
                 39.86 
                 A 
               
               
                 ATOM 
                 931 
                 CB 
                 ASP 
                 A 
                 127 
                 44.026 
                 35.896 
                 4.034 
                 1.00 
                 42.23 
                 A 
               
               
                 ATOM 
                 932 
                 CG 
                 ASP 
                 A 
                 127 
                 44.763 
                 34.567 
                 4.124 
                 1.00 
                 43.17 
                 A 
               
               
                 ATOM 
                 933 
                 OD1 
                 ASP 
                 A 
                 127 
                 44.243 
                 33.539 
                 3.641 
                 1.00 
                 45.25 
                 A 
               
               
                 ATOM 
                 934 
                 OD2 
                 ASP 
                 A 
                 127 
                 45.878 
                 34.554 
                 4.688 
                 1.00 
                 45.84 
                 A 
               
               
                 ATOM 
                 935 
                 C 
                 ASP 
                 A 
                 127 
                 42.973 
                 35.435 
                 1.810 
                 1.00 
                 39.84 
                 A 
               
               
                 ATOM 
                 936 
                 O 
                 ASP 
                 A 
                 127 
                 43.943 
                 35.904 
                 1.221 
                 1.00 
                 40.14 
                 A 
               
               
                 ATOM 
                 937 
                 N 
                 ASN 
                 A 
                 128 
                 42.109 
                 34.600 
                 1.238 
                 1.00 
                 39.79 
                 A 
               
               
                 ATOM 
                 938 
                 CA 
                 ASN 
                 A 
                 128 
                 42.238 
                 34.182 
                 −0.153 
                 1.00 
                 39.11 
                 A 
               
               
                 ATOM 
                 939 
                 CB 
                 ASN 
                 A 
                 128 
                 43.332 
                 33.121 
                 −0.305 
                 1.00 
                 40.96 
                 A 
               
               
                 ATOM 
                 940 
                 CG 
                 ASN 
                 A 
                 128 
                 43.608 
                 32.772 
                 −1.763 
                 1.00 
                 42.76 
                 A 
               
               
                 ATOM 
                 941 
                 OD1 
                 ASN 
                 A 
                 128 
                 44.327 
                 31.816 
                 −2.058 
                 1.00 
                 45.02 
                 A 
               
               
                 ATOM 
                 942 
                 ND2 
                 ASN 
                 A 
                 128 
                 43.044 
                 33.548 
                 −2.679 
                 1.00 
                 43.31 
                 A 
               
               
                 ATOM 
                 943 
                 C 
                 ASN 
                 A 
                 128 
                 40.910 
                 33.600 
                 −0.611 
                 1.00 
                 38.19 
                 A 
               
               
                 ATOM 
                 944 
                 O 
                 ASN 
                 A 
                 128 
                 40.834 
                 32.444 
                 −1.027 
                 1.00 
                 36.34 
                 A 
               
               
                 ATOM 
                 945 
                 N 
                 MET 
                 A 
                 129 
                 39.860 
                 34.407 
                 −0.532 
                 1.00 
                 37.03 
                 A 
               
               
                 ATOM 
                 946 
                 CA 
                 MET 
                 A 
                 129 
                 38.544 
                 33.948 
                 −0.933 
                 1.00 
                 36.26 
                 A 
               
               
                 ATOM 
                 947 
                 CB 
                 MET 
                 A 
                 129 
                 37.462 
                 34.742 
                 −0.205 
                 1.00 
                 35.19 
                 A 
               
               
                 ATOM 
                 948 
                 CG 
                 MET 
                 A 
                 129 
                 37.469 
                 34.578 
                 1.300 
                 1.00 
                 36.19 
                 A 
               
               
                 ATOM 
                 949 
                 SD 
                 MET 
                 A 
                 129 
                 36.104 
                 35.498 
                 2.022 
                 1.00 
                 35.06 
                 A 
               
               
                 ATOM 
                 950 
                 CE 
                 MET 
                 A 
                 129 
                 36.869 
                 37.133 
                 2.125 
                 1.00 
                 37.35 
                 A 
               
               
                 ATOM 
                 951 
                 C 
                 MET 
                 A 
                 129 
                 38.375 
                 34.127 
                 −2.431 
                 1.00 
                 35.46 
                 A 
               
               
                 ATOM 
                 952 
                 O 
                 MET 
                 A 
                 129 
                 38.953 
                 35.036 
                 −3.024 
                 1.00 
                 35.81 
                 A 
               
               
                 ATOM 
                 953 
                 N 
                 PRO 
                 A 
                 130 
                 37.587 
                 33.252 
                 −3.067 
                 1.00 
                 35.15 
                 A 
               
               
                 ATOM 
                 954 
                 CD 
                 PRO 
                 A 
                 130 
                 37.024 
                 31.988 
                 −2.558 
                 1.00 
                 33.45 
                 A 
               
               
                 ATOM 
                 955 
                 CA 
                 PRO 
                 A 
                 130 
                 37.375 
                 33.374 
                 −4.510 
                 1.00 
                 34.52 
                 A 
               
               
                 ATOM 
                 956 
                 CB 
                 PRO 
                 A 
                 130 
                 36.935 
                 31.968 
                 −4.907 
                 1.00 
                 34.77 
                 A 
               
               
                 ATOM 
                 957 
                 CG 
                 PRO 
                 A 
                 130 
                 36.155 
                 31.528 
                 −3.713 
                 1.00 
                 33.09 
                 A 
               
               
                 ATOM 
                 958 
                 C 
                 PRO 
                 A 
                 130 
                 36.313 
                 34.428 
                 −4.825 
                 1.00 
                 35.76 
                 A 
               
               
                 ATOM 
                 959 
                 O 
                 PRO 
                 A 
                 130 
                 35.502 
                 34.785 
                 −3.966 
                 1.00 
                 34.18 
                 A 
               
               
                 ATOM 
                 960 
                 N 
                 GLY 
                 A 
                 131 
                 36.343 
                 34.936 
                 −6.055 
                 1.00 
                 36.06 
                 A 
               
               
                 ATOM 
                 961 
                 CA 
                 GLY 
                 A 
                 131 
                 35.371 
                 35.921 
                 −6.483 
                 1.00 
                 36.41 
                 A 
               
               
                 ATOM 
                 962 
                 C 
                 GLY 
                 A 
                 131 
                 34.313 
                 35.190 
                 −7.282 
                 1.00 
                 37.83 
                 A 
               
               
                 ATOM 
                 963 
                 O 
                 GLY 
                 A 
                 131 
                 34.424 
                 33.981 
                 −7.482 
                 1.00 
                 38.41 
                 A 
               
               
                 ATOM 
                 964 
                 N 
                 VAL 
                 A 
                 132 
                 33.288 
                 35.900 
                 −7.739 
                 1.00 
                 37.75 
                 A 
               
               
                 ATOM 
                 965 
                 CA 
                 VAL 
                 A 
                 132 
                 32.229 
                 35.269 
                 −8.515 
                 1.00 
                 39.80 
                 A 
               
               
                 ATOM 
                 966 
                 CB 
                 VAL 
                 A 
                 132 
                 31.106 
                 36.277 
                 −8.848 
                 1.00 
                 39.90 
                 A 
               
               
                 ATOM 
                 967 
                 CG1 
                 VAL 
                 A 
                 132 
                 30.089 
                 35.649 
                 −9.792 
                 1.00 
                 39.29 
                 A 
               
               
                 ATOM 
                 968 
                 CG2 
                 VAL 
                 A 
                 132 
                 30.420 
                 36.711 
                 −7.569 
                 1.00 
                 39.79 
                 A 
               
               
                 ATOM 
                 969 
                 C 
                 VAL 
                 A 
                 132 
                 32.795 
                 34.688 
                 −9.804 
                 1.00 
                 40.83 
                 A 
               
               
                 ATOM 
                 970 
                 O 
                 VAL 
                 A 
                 132 
                 32.388 
                 33.615 
                 −10.245 
                 1.00 
                 41.10 
                 A 
               
               
                 ATOM 
                 971 
                 N 
                 ALA 
                 A 
                 133 
                 33.747 
                 35.397 
                 −10.398 
                 1.00 
                 42.28 
                 A 
               
               
                 ATOM 
                 972 
                 CA 
                 ALA 
                 A 
                 133 
                 34.378 
                 34.949 
                 −11.632 
                 1.00 
                 43.17 
                 A 
               
               
                 ATOM 
                 973 
                 CB 
                 ALA 
                 A 
                 133 
                 35.482 
                 35.923 
                 −12.036 
                 1.00 
                 44.08 
                 A 
               
               
                 ATOM 
                 974 
                 C 
                 ALA 
                 A 
                 133 
                 34.955 
                 33.548 
                 −11.462 
                 1.00 
                 43.96 
                 A 
               
               
                 ATOM 
                 975 
                 O 
                 ALA 
                 A 
                 133 
                 34.636 
                 32.651 
                 −12.235 
                 1.00 
                 43.99 
                 A 
               
               
                 ATOM 
                 976 
                 N 
                 GLU 
                 A 
                 134 
                 35.799 
                 33.366 
                 −10.446 
                 1.00 
                 44.05 
                 A 
               
               
                 ATOM 
                 977 
                 CA 
                 GLU 
                 A 
                 134 
                 36.421 
                 32.067 
                 −10.173 
                 1.00 
                 44.20 
                 A 
               
               
                 ATOM 
                 978 
                 CB 
                 GLU 
                 A 
                 134 
                 37.366 
                 32.159 
                 −8.969 
                 1.00 
                 45.02 
                 A 
               
               
                 ATOM 
                 979 
                 CG 
                 GLU 
                 A 
                 134 
                 38.507 
                 33.150 
                 −9.119 
                 1.00 
                 48.35 
                 A 
               
               
                 ATOM 
                 980 
                 CD 
                 GLU 
                 A 
                 134 
                 38.168 
                 34.527 
                 −8.579 
                 1.00 
                 50.23 
                 A 
               
               
                 ATOM 
                 981 
                 OE1 
                 GLU 
                 A 
                 134 
                 37.190 
                 35.148 
                 −9.057 
                 1.00 
                 51.33 
                 A 
               
               
                 ATOM 
                 982 
                 OE2 
                 GLU 
                 A 
                 134 
                 38.889 
                 34.991 
                 −7.670 
                 1.00 
                 52.57 
                 A 
               
               
                 ATOM 
                 983 
                 C 
                 GLU 
                 A 
                 134 
                 35.406 
                 30.954 
                 −9.905 
                 1.00 
                 42.84 
                 A 
               
               
                 ATOM 
                 984 
                 O 
                 GLU 
                 A 
                 134 
                 35.587 
                 29.821 
                 −10.348 
                 1.00 
                 44.08 
                 A 
               
               
                 ATOM 
                 985 
                 N 
                 LEU 
                 A 
                 135 
                 34.343 
                 31.272 
                 −9.175 
                 1.00 
                 41.08 
                 A 
               
               
                 ATOM 
                 986 
                 CA 
                 LEU 
                 A 
                 135 
                 33.325 
                 30.276 
                 −8.859 
                 1.00 
                 40.14 
                 A 
               
               
                 ATOM 
                 987 
                 CB 
                 LEU 
                 A 
                 135 
                 32.349 
                 30.827 
                 −7.808 
                 1.00 
                 38.00 
                 A 
               
               
                 ATOM 
                 988 
                 CG 
                 LEU 
                 A 
                 135 
                 32.858 
                 30.961 
                 −6.363 
                 1.00 
                 35.55 
                 A 
               
               
                 ATOM 
                 989 
                 CD1 
                 LEU 
                 A 
                 135 
                 31.813 
                 31.634 
                 −5.501 
                 1.00 
                 37.80 
                 A 
               
               
                 ATOM 
                 990 
                 CD2 
                 LEU 
                 A 
                 135 
                 33.180 
                 29.589 
                 −5.807 
                 1.00 
                 32.97 
                 A 
               
               
                 ATOM 
                 991 
                 C 
                 LEU 
                 A 
                 135 
                 32.544 
                 29.786 
                 −10.079 
                 1.00 
                 41.44 
                 A 
               
               
                 ATOM 
                 992 
                 O 
                 LEU 
                 A 
                 135 
                 32.419 
                 28.583 
                 −10.294 
                 1.00 
                 41.03 
                 A 
               
               
                 ATOM 
                 993 
                 N 
                 SER 
                 A 
                 136 
                 32.018 
                 30.710 
                 −10.877 
                 1.00 
                 43.65 
                 A 
               
               
                 ATOM 
                 994 
                 CA 
                 SER 
                 A 
                 136 
                 31.234 
                 30.341 
                 −12.064 
                 1.00 
                 45.88 
                 A 
               
               
                 ATOM 
                 995 
                 CB 
                 SER 
                 A 
                 136 
                 30.756 
                 31.599 
                 −12.798 
                 1.00 
                 47.35 
                 A 
               
               
                 ATOM 
                 996 
                 OG 
                 SER 
                 A 
                 136 
                 31.851 
                 32.390 
                 −13.227 
                 1.00 
                 49.44 
                 A 
               
               
                 ATOM 
                 997 
                 C 
                 SER 
                 A 
                 136 
                 31.995 
                 29.448 
                 −13.041 
                 1.00 
                 45.67 
                 A 
               
               
                 ATOM 
                 998 
                 O 
                 SER 
                 A 
                 136 
                 31.395 
                 28.799 
                 −13.903 
                 1.00 
                 46.58 
                 A 
               
               
                 ATOM 
                 999 
                 N 
                 ALA 
                 A 
                 137 
                 33.316 
                 29.416 
                 −12.892 
                 1.00 
                 45.23 
                 A 
               
               
                 ATOM 
                 1000 
                 CA 
                 ALA 
                 A 
                 137 
                 34.185 
                 28.618 
                 −13.746 
                 1.00 
                 44.09 
                 A 
               
               
                 ATOM 
                 1001 
                 CB 
                 ALA 
                 A 
                 137 
                 35.618 
                 29.123 
                 −13.627 
                 1.00 
                 45.40 
                 A 
               
               
                 ATOM 
                 1002 
                 C 
                 ALA 
                 A 
                 137 
                 34.128 
                 27.127 
                 −13.413 
                 1.00 
                 43.23 
                 A 
               
               
                 ATOM 
                 1003 
                 O 
                 ALA 
                 A 
                 137 
                 34.433 
                 26.284 
                 −14.258 
                 1.00 
                 42.56 
                 A 
               
               
                 ATOM 
                 1004 
                 N 
                 ILE 
                 A 
                 138 
                 33.758 
                 26.799 
                 −12.179 
                 1.00 
                 41.63 
                 A 
               
               
                 ATOM 
                 1005 
                 CA 
                 ILE 
                 A 
                 138 
                 33.664 
                 25.398 
                 −11.775 
                 1.00 
                 40.86 
                 A 
               
               
                 ATOM 
                 1006 
                 CB 
                 ILE 
                 A 
                 138 
                 33.260 
                 25.275 
                 −10.280 
                 1.00 
                 39.46 
                 A 
               
               
                 ATOM 
                 1007 
                 CG2 
                 ILE 
                 A 
                 138 
                 33.120 
                 23.812 
                 −9.893 
                 1.00 
                 39.81 
                 A 
               
               
                 ATOM 
                 1008 
                 CG1 
                 ILE 
                 A 
                 138 
                 34.319 
                 25.955 
                 −9.403 
                 1.00 
                 40.37 
                 A 
               
               
                 ATOM 
                 1009 
                 CD1 
                 ILE 
                 A 
                 138 
                 33.990 
                 25.985 
                 −7.921 
                 1.00 
                 38.95 
                 A 
               
               
                 ATOM 
                 1010 
                 C 
                 ILE 
                 A 
                 138 
                 32.600 
                 24.771 
                 −12.677 
                 1.00 
                 40.15 
                 A 
               
               
                 ATOM 
                 1011 
                 O 
                 ILE 
                 A 
                 138 
                 31.481 
                 25.261 
                 −12.745 
                 1.00 
                 39.48 
                 A 
               
               
                 ATOM 
                 1012 
                 N 
                 PRO 
                 A 
                 139 
                 32.949 
                 23.688 
                 −13.391 
                 1.00 
                 42.04 
                 A 
               
               
                 ATOM 
                 1013 
                 CD 
                 PRO 
                 A 
                 139 
                 34.277 
                 23.056 
                 −13.319 
                 1.00 
                 42.63 
                 A 
               
               
                 ATOM 
                 1014 
                 CA 
                 PRO 
                 A 
                 139 
                 32.080 
                 22.950 
                 −14.325 
                 1.00 
                 42.17 
                 A 
               
               
                 ATOM 
                 1015 
                 CB 
                 PRO 
                 A 
                 139 
                 32.913 
                 21.716 
                 −14.668 
                 1.00 
                 43.33 
                 A 
               
               
                 ATOM 
                 1016 
                 CG 
                 PRO 
                 A 
                 139 
                 34.308 
                 22.234 
                 −14.591 
                 1.00 
                 44.53 
                 A 
               
               
                 ATOM 
                 1017 
                 C 
                 PRO 
                 A 
                 139 
                 30.672 
                 22.568 
                 −13.873 
                 1.00 
                 41.62 
                 A 
               
               
                 ATOM 
                 1018 
                 O 
                 PRO 
                 A 
                 139 
                 29.717 
                 22.686 
                 −14.646 
                 1.00 
                 41.11 
                 A 
               
               
                 ATOM 
                 1019 
                 N 
                 SER 
                 A 
                 140 
                 30.548 
                 22.103 
                 −12.634 
                 1.00 
                 40.71 
                 A 
               
               
                 ATOM 
                 1020 
                 CA 
                 SER 
                 A 
                 140 
                 29.262 
                 21.677 
                 −12.095 
                 1.00 
                 40.02 
                 A 
               
               
                 ATOM 
                 1021 
                 CB 
                 SER 
                 A 
                 140 
                 29.458 
                 20.440 
                 −11.207 
                 1.00 
                 38.55 
                 A 
               
               
                 ATOM 
                 1022 
                 OG 
                 SER 
                 A 
                 140 
                 30.473 
                 20.655 
                 −10.239 
                 1.00 
                 37.26 
                 A 
               
               
                 ATOM 
                 1023 
                 C 
                 SER 
                 A 
                 140 
                 28.510 
                 22.765 
                 −11.329 
                 1.00 
                 40.37 
                 A 
               
               
                 ATOM 
                 1024 
                 O 
                 SER 
                 A 
                 140 
                 27.460 
                 22.507 
                 −10.735 
                 1.00 
                 40.00 
                 A 
               
               
                 ATOM 
                 1025 
                 N 
                 MET 
                 A 
                 141 
                 29.044 
                 23.981 
                 −11.351 
                 1.00 
                 39.35 
                 A 
               
               
                 ATOM 
                 1026 
                 CA 
                 MET 
                 A 
                 141 
                 28.409 
                 25.107 
                 −10.671 
                 1.00 
                 38.79 
                 A 
               
               
                 ATOM 
                 1027 
                 CB 
                 MET 
                 A 
                 141 
                 29.383 
                 26.292 
                 −10.608 
                 1.00 
                 38.90 
                 A 
               
               
                 ATOM 
                 1028 
                 CG 
                 MET 
                 A 
                 141 
                 28.904 
                 27.492 
                 −9.790 
                 1.00 
                 39.10 
                 A 
               
               
                 ATOM 
                 1029 
                 SD 
                 MET 
                 A 
                 141 
                 28.779 
                 27.156 
                 −8.006 
                 1.00 
                 38.89 
                 A 
               
               
                 ATOM 
                 1030 
                 CE 
                 MET 
                 A 
                 141 
                 30.511 
                 27.219 
                 −7.524 
                 1.00 
                 39.82 
                 A 
               
               
                 ATOM 
                 1031 
                 C 
                 MET 
                 A 
                 141 
                 27.167 
                 25.500 
                 −11.474 
                 1.00 
                 38.43 
                 A 
               
               
                 ATOM 
                 1032 
                 O 
                 MET 
                 A 
                 141 
                 27.168 
                 25.418 
                 −12.704 
                 1.00 
                 38.34 
                 A 
               
               
                 ATOM 
                 1033 
                 N 
                 PRO 
                 A 
                 142 
                 26.088 
                 25.924 
                 −10.794 
                 1.00 
                 38.99 
                 A 
               
               
                 ATOM 
                 1034 
                 CD 
                 PRO 
                 A 
                 142 
                 25.876 
                 26.042 
                 −9.340 
                 1.00 
                 37.35 
                 A 
               
               
                 ATOM 
                 1035 
                 CA 
                 PRO 
                 A 
                 142 
                 24.882 
                 26.314 
                 −11.535 
                 1.00 
                 37.96 
                 A 
               
               
                 ATOM 
                 1036 
                 CB 
                 PRO 
                 A 
                 142 
                 23.949 
                 26.823 
                 −10.439 
                 1.00 
                 38.94 
                 A 
               
               
                 ATOM 
                 1037 
                 CG 
                 PRO 
                 A 
                 142 
                 24.372 
                 26.043 
                 −9.235 
                 1.00 
                 37.01 
                 A 
               
               
                 ATOM 
                 1038 
                 C 
                 PRO 
                 A 
                 142 
                 25.210 
                 27.413 
                 −12.545 
                 1.00 
                 39.39 
                 A 
               
               
                 ATOM 
                 1039 
                 O 
                 PRO 
                 A 
                 142 
                 25.983 
                 28.329 
                 −12.248 
                 1.00 
                 38.95 
                 A 
               
               
                 ATOM 
                 1040 
                 N 
                 PRO 
                 A 
                 143 
                 24.644 
                 27.328 
                 −13.758 
                 1.00 
                 37.81 
                 A 
               
               
                 ATOM 
                 1041 
                 CD 
                 PRO 
                 A 
                 143 
                 23.843 
                 26.222 
                 −14.307 
                 1.00 
                 39.42 
                 A 
               
               
                 ATOM 
                 1042 
                 CA 
                 PRO 
                 A 
                 143 
                 24.903 
                 28.344 
                 −14.780 
                 1.00 
                 38.06 
                 A 
               
               
                 ATOM 
                 1043 
                 CB 
                 PRO 
                 A 
                 143 
                 24.060 
                 27.863 
                 −15.964 
                 1.00 
                 38.66 
                 A 
               
               
                 ATOM 
                 1044 
                 CG 
                 PRO 
                 A 
                 143 
                 24.053 
                 26.383 
                 −15.793 
                 1.00 
                 39.51 
                 A 
               
               
                 ATOM 
                 1045 
                 C 
                 PRO 
                 A 
                 143 
                 24.439 
                 29.708 
                 −14.266 
                 1.00 
                 38.30 
                 A 
               
               
                 ATOM 
                 1046 
                 O 
                 PRO 
                 A 
                 143 
                 24.955 
                 30.755 
                 −14.665 
                 1.00 
                 37.08 
                 A 
               
               
                 ATOM 
                 1047 
                 N 
                 ALA 
                 A 
                 144 
                 23.462 
                 29.670 
                 −13.364 
                 1.00 
                 37.27 
                 A 
               
               
                 ATOM 
                 1048 
                 CA 
                 ALA 
                 A 
                 144 
                 22.887 
                 30.871 
                 −12.773 
                 1.00 
                 37.43 
                 A 
               
               
                 ATOM 
                 1049 
                 CB 
                 ALA 
                 A 
                 144 
                 21.813 
                 30.485 
                 −11.767 
                 1.00 
                 35.79 
                 A 
               
               
                 ATOM 
                 1050 
                 C 
                 ALA 
                 A 
                 144 
                 23.910 
                 31.793 
                 −12.115 
                 1.00 
                 36.34 
                 A 
               
               
                 ATOM 
                 1051 
                 O 
                 ALA 
                 A 
                 144 
                 23.700 
                 33.002 
                 −12.047 
                 1.00 
                 37.01 
                 A 
               
               
                 ATOM 
                 1052 
                 N 
                 VAL 
                 A 
                 145 
                 25.018 
                 31.241 
                 −11.636 
                 1.00 
                 35.52 
                 A 
               
               
                 ATOM 
                 1053 
                 CA 
                 VAL 
                 A 
                 145 
                 26.020 
                 32.087 
                 −10.993 
                 1.00 
                 36.56 
                 A 
               
               
                 ATOM 
                 1054 
                 CB 
                 VAL 
                 A 
                 145 
                 27.105 
                 31.231 
                 −10.292 
                 1.00 
                 33.87 
                 A 
               
               
                 ATOM 
                 1055 
                 CG1 
                 VAL 
                 A 
                 145 
                 28.206 
                 32.118 
                 −9.755 
                 1.00 
                 32.14 
                 A 
               
               
                 ATOM 
                 1056 
                 CG2 
                 VAL 
                 A 
                 145 
                 26.475 
                 30.421 
                 −9.164 
                 1.00 
                 33.34 
                 A 
               
               
                 ATOM 
                 1057 
                 C 
                 VAL 
                 A 
                 145 
                 26.674 
                 33.047 
                 −12.000 
                 1.00 
                 37.24 
                 A 
               
               
                 ATOM 
                 1058 
                 O 
                 VAL 
                 A 
                 145 
                 26.787 
                 34.246 
                 −11.746 
                 1.00 
                 35.40 
                 A 
               
               
                 ATOM 
                 1059 
                 N 
                 ALA 
                 A 
                 146 
                 27.093 
                 32.524 
                 −13.146 
                 1.00 
                 38.95 
                 A 
               
               
                 ATOM 
                 1060 
                 CA 
                 ALA 
                 A 
                 146 
                 27.713 
                 33.365 
                 −14.165 
                 1.00 
                 40.89 
                 A 
               
               
                 ATOM 
                 1061 
                 CB 
                 ALA 
                 A 
                 146 
                 28.233 
                 32.505 
                 −15.323 
                 1.00 
                 41.08 
                 A 
               
               
                 ATOM 
                 1062 
                 C 
                 ALA 
                 A 
                 146 
                 26.695 
                 34.374 
                 −14.679 
                 1.00 
                 41.46 
                 A 
               
               
                 ATOM 
                 1063 
                 O 
                 ALA 
                 A 
                 146 
                 27.013 
                 35.543 
                 −14.889 
                 1.00 
                 41.33 
                 A 
               
               
                 ATOM 
                 1064 
                 N 
                 GLU 
                 A 
                 147 
                 25.464 
                 33.917 
                 −14.866 
                 1.00 
                 42.76 
                 A 
               
               
                 ATOM 
                 1065 
                 CA 
                 GLU 
                 A 
                 147 
                 24.405 
                 34.777 
                 −15.307 
                 1.00 
                 44.04 
                 A 
               
               
                 ATOM 
                 1066 
                 CB 
                 GLU 
                 A 
                 147 
                 23.161 
                 33.938 
                 −15.657 
                 1.00 
                 46.32 
                 A 
               
               
                 ATOM 
                 1067 
                 CG 
                 GLU 
                 A 
                 147 
                 23.296 
                 33.089 
                 −16.924 
                 1.00 
                 51.66 
                 A 
               
               
                 ATOM 
                 1068 
                 CD 
                 GLU 
                 A 
                 147 
                 22.729 
                 31.687 
                 −16.774 
                 1.00 
                 53.70 
                 A 
               
               
                 ATOM 
                 1069 
                 OE1 
                 GLU 
                 A 
                 147 
                 21.566 
                 31.555 
                 −16.334 
                 1.00 
                 55.88 
                 A 
               
               
                 ATOM 
                 1070 
                 OE2 
                 GLU 
                 A 
                 147 
                 23.449 
                 30.717 
                 −17.104 
                 1.00 
                 56.34 
                 A 
               
               
                 ATOM 
                 1071 
                 C 
                 GLU 
                 A 
                 147 
                 24.066 
                 35.923 
                 −14.421 
                 1.00 
                 43.26 
                 A 
               
               
                 ATOM 
                 1072 
                 O 
                 GLU 
                 A 
                 147 
                 23.458 
                 36.910 
                 −14.833 
                 1.00 
                 41.77 
                 A 
               
               
                 ATOM 
                 1073 
                 N 
                 ASN 
                 A 
                 148 
                 24.474 
                 35.797 
                 −13.162 
                 1.00 
                 42.18 
                 A 
               
               
                 ATOM 
                 1074 
                 CA 
                 ASN 
                 A 
                 148 
                 24.200 
                 36.827 
                 −12.165 
                 1.00 
                 41.99 
                 A 
               
               
                 ATOM 
                 1075 
                 CB 
                 ASN 
                 A 
                 148 
                 23.588 
                 36.193 
                 −10.911 
                 1.00 
                 42.15 
                 A 
               
               
                 ATOM 
                 1076 
                 CG 
                 ASN 
                 A 
                 148 
                 22.104 
                 35.918 
                 −11.059 
                 1.00 
                 40.63 
                 A 
               
               
                 ATOM 
                 1077 
                 OD1 
                 ASN 
                 A 
                 148 
                 21.301 
                 36.841 
                 −11.145 
                 1.00 
                 42.33 
                 A 
               
               
                 ATOM 
                 1078 
                 ND2 
                 ASN 
                 A 
                 148 
                 21.735 
                 34.649 
                 −11.093 
                 1.00 
                 41.13 
                 A 
               
               
                 ATOM 
                 1079 
                 C 
                 ASN 
                 A 
                 148 
                 25.435 
                 37.630 
                 −11.774 
                 1.00 
                 41.70 
                 A 
               
               
                 ATOM 
                 1080 
                 O 
                 ASN 
                 A 
                 148 
                 25.361 
                 38.492 
                 −10.904 
                 1.00 
                 41.52 
                 A 
               
               
                 ATOM 
                 1081 
                 N 
                 ALA 
                 A 
                 149 
                 26.560 
                 37.350 
                 −12.427 
                 1.00 
                 42.05 
                 A 
               
               
                 ATOM 
                 1082 
                 CA 
                 ALA 
                 A 
                 149 
                 27.825 
                 38.027 
                 −12.150 
                 1.00 
                 42.82 
                 A 
               
               
                 ATOM 
                 1083 
                 CB 
                 ALA 
                 A 
                 149 
                 28.898 
                 37.556 
                 −13.143 
                 1.00 
                 41.85 
                 A 
               
               
                 ATOM 
                 1084 
                 C 
                 ALA 
                 A 
                 149 
                 27.743 
                 39.553 
                 −12.169 
                 1.00 
                 43.54 
                 A 
               
               
                 ATOM 
                 1085 
                 O 
                 ALA 
                 A 
                 149 
                 28.236 
                 40.217 
                 −11.257 
                 1.00 
                 44.06 
                 A 
               
               
                 ATOM 
                 1086 
                 N 
                 GLU 
                 A 
                 150 
                 27.132 
                 40.103 
                 −13.215 
                 1.00 
                 44.98 
                 A 
               
               
                 ATOM 
                 1087 
                 CA 
                 GLU 
                 A 
                 150 
                 26.997 
                 41.549 
                 −13.355 
                 1.00 
                 45.33 
                 A 
               
               
                 ATOM 
                 1088 
                 CB 
                 GLU 
                 A 
                 150 
                 26.373 
                 41.891 
                 −14.708 
                 1.00 
                 47.44 
                 A 
               
               
                 ATOM 
                 1089 
                 CG 
                 GLU 
                 A 
                 150 
                 27.297 
                 41.639 
                 −15.876 
                 1.00 
                 52.19 
                 A 
               
               
                 ATOM 
                 1090 
                 CD 
                 GLU 
                 A 
                 150 
                 26.605 
                 41.834 
                 −17.206 
                 1.00 
                 54.21 
                 A 
               
               
                 ATOM 
                 1091 
                 OE1 
                 GLU 
                 A 
                 150 
                 25.720 
                 41.018 
                 −17.540 
                 1.00 
                 56.56 
                 A 
               
               
                 ATOM 
                 1092 
                 OE2 
                 GLU 
                 A 
                 150 
                 26.936 
                 42.808 
                 −17.912 
                 1.00 
                 54.57 
                 A 
               
               
                 ATOM 
                 1093 
                 C 
                 GLU 
                 A 
                 150 
                 26.156 
                 42.145 
                 −12.241 
                 1.00 
                 43.75 
                 A 
               
               
                 ATOM 
                 1094 
                 O 
                 GLU 
                 A 
                 150 
                 26.485 
                 43.200 
                 −11.695 
                 1.00 
                 43.51 
                 A 
               
               
                 ATOM 
                 1095 
                 N 
                 LEU 
                 A 
                 151 
                 25.063 
                 41.468 
                 −11.915 
                 1.00 
                 42.63 
                 A 
               
               
                 ATOM 
                 1096 
                 CA 
                 LEU 
                 A 
                 151 
                 24.181 
                 41.922 
                 −10.853 
                 1.00 
                 41.40 
                 A 
               
               
                 ATOM 
                 1097 
                 CB 
                 LEU 
                 A 
                 151 
                 22.963 
                 40.995 
                 −10.777 
                 1.00 
                 42.33 
                 A 
               
               
                 ATOM 
                 1098 
                 CG 
                 LEU 
                 A 
                 151 
                 21.804 
                 41.368 
                 −9.850 
                 1.00 
                 42.54 
                 A 
               
               
                 ATOM 
                 1099 
                 CD1 
                 LEU 
                 A 
                 151 
                 20.538 
                 40.668 
                 −10.323 
                 1.00 
                 43.25 
                 A 
               
               
                 ATOM 
                 1100 
                 CD2 
                 LEU 
                 A 
                 151 
                 22.139 
                 40.989 
                 −8.414 
                 1.00 
                 41.89 
                 A 
               
               
                 ATOM 
                 1101 
                 C 
                 LEU 
                 A 
                 151 
                 24.954 
                 41.941 
                 −9.522 
                 1.00 
                 40.27 
                 A 
               
               
                 ATOM 
                 1102 
                 O 
                 LEU 
                 A 
                 151 
                 24.973 
                 42.956 
                 −8.822 
                 1.00 
                 41.45 
                 A 
               
               
                 ATOM 
                 1103 
                 N 
                 PHE 
                 A 
                 152 
                 25.597 
                 40.826 
                 −9.181 
                 1.00 
                 38.34 
                 A 
               
               
                 ATOM 
                 1104 
                 CA 
                 PHE 
                 A 
                 152 
                 26.372 
                 40.745 
                 −7.946 
                 1.00 
                 36.94 
                 A 
               
               
                 ATOM 
                 1105 
                 CB 
                 PHE 
                 A 
                 152 
                 27.129 
                 39.417 
                 −7.870 
                 1.00 
                 34.62 
                 A 
               
               
                 ATOM 
                 1106 
                 CG 
                 PHE 
                 A 
                 152 
                 26.249 
                 38.217 
                 −7.670 
                 1.00 
                 33.59 
                 A 
               
               
                 ATOM 
                 1107 
                 CD1 
                 PHE 
                 A 
                 152 
                 26.625 
                 36.981 
                 −8.183 
                 1.00 
                 32.62 
                 A 
               
               
                 ATOM 
                 1108 
                 CD2 
                 PHE 
                 A 
                 152 
                 25.071 
                 38.307 
                 −6.936 
                 1.00 
                 31.47 
                 A 
               
               
                 ATOM 
                 1109 
                 CE1 
                 PHE 
                 A 
                 152 
                 25.842 
                 35.844 
                 −7.969 
                 1.00 
                 32.66 
                 A 
               
               
                 ATOM 
                 1110 
                 CE2 
                 PHE 
                 A 
                 152 
                 24.281 
                 37.177 
                 −6.714 
                 1.00 
                 31.36 
                 A 
               
               
                 ATOM 
                 1111 
                 CZ 
                 PHE 
                 A 
                 152 
                 24.670 
                 35.941 
                 −7.232 
                 1.00 
                 32.67 
                 A 
               
               
                 ATOM 
                 1112 
                 C 
                 PHE 
                 A 
                 152 
                 27.379 
                 41.891 
                 −7.889 
                 1.00 
                 38.16 
                 A 
               
               
                 ATOM 
                 1113 
                 O 
                 PHE 
                 A 
                 152 
                 27.499 
                 42.575 
                 −6.874 
                 1.00 
                 38.05 
                 A 
               
               
                 ATOM 
                 1114 
                 N 
                 ALA 
                 A 
                 153 
                 28.098 
                 42.094 
                 −8.989 
                 1.00 
                 38.70 
                 A 
               
               
                 ATOM 
                 1115 
                 CA 
                 ALA 
                 A 
                 153 
                 29.106 
                 43.145 
                 −9.066 
                 1.00 
                 39.88 
                 A 
               
               
                 ATOM 
                 1116 
                 CB 
                 ALA 
                 A 
                 153 
                 29.783 
                 43.117 
                 −10.433 
                 1.00 
                 41.69 
                 A 
               
               
                 ATOM 
                 1117 
                 C 
                 ALA 
                 A 
                 153 
                 28.523 
                 44.526 
                 −8.805 
                 1.00 
                 40.13 
                 A 
               
               
                 ATOM 
                 1118 
                 O 
                 ALA 
                 A 
                 153 
                 29.120 
                 45.342 
                 −8.101 
                 1.00 
                 40.16 
                 A 
               
               
                 ATOM 
                 1119 
                 N 
                 ARG 
                 A 
                 154 
                 27.350 
                 44.777 
                 −9.374 
                 1.00 
                 40.05 
                 A 
               
               
                 ATOM 
                 1120 
                 CA 
                 ARG 
                 A 
                 154 
                 26.682 
                 46.055 
                 −9.217 
                 1.00 
                 40.63 
                 A 
               
               
                 ATOM 
                 1121 
                 CB 
                 ARG 
                 A 
                 154 
                 25.394 
                 46.057 
                 −10.044 
                 1.00 
                 42.51 
                 A 
               
               
                 ATOM 
                 1122 
                 CG 
                 ARG 
                 A 
                 154 
                 24.770 
                 47.425 
                 −10.221 
                 1.00 
                 47.49 
                 A 
               
               
                 ATOM 
                 1123 
                 CD 
                 ARG 
                 A 
                 154 
                 24.025 
                 47.541 
                 −11.555 
                 1.00 
                 48.14 
                 A 
               
               
                 ATOM 
                 1124 
                 NE 
                 ARG 
                 A 
                 154 
                 23.060 
                 46.463 
                 −11.764 
                 1.00 
                 48.78 
                 A 
               
               
                 ATOM 
                 1125 
                 CZ 
                 ARG 
                 A 
                 154 
                 23.298 
                 45.368 
                 −12.482 
                 1.00 
                 46.90 
                 A 
               
               
                 ATOM 
                 1126 
                 NH1 
                 ARG 
                 A 
                 154 
                 24.473 
                 45.197 
                 −13.069 
                 1.00 
                 48.01 
                 A 
               
               
                 ATOM 
                 1127 
                 NH2 
                 ARG 
                 A 
                 154 
                 22.359 
                 44.443 
                 −12.617 
                 1.00 
                 46.15 
                 A 
               
               
                 ATOM 
                 1128 
                 C 
                 ARG 
                 A 
                 154 
                 26.387 
                 46.397 
                 −7.750 
                 1.00 
                 40.64 
                 A 
               
               
                 ATOM 
                 1129 
                 O 
                 ARG 
                 A 
                 154 
                 26.297 
                 47.574 
                 −7.387 
                 1.00 
                 40.09 
                 A 
               
               
                 ATOM 
                 1130 
                 N 
                 TYR 
                 A 
                 155 
                 26.256 
                 45.383 
                 −6.897 
                 1.00 
                 40.35 
                 A 
               
               
                 ATOM 
                 1131 
                 CA 
                 TYR 
                 A 
                 155 
                 25.975 
                 45.652 
                 −5.493 
                 1.00 
                 38.19 
                 A 
               
               
                 ATOM 
                 1132 
                 CB 
                 TYR 
                 A 
                 155 
                 24.720 
                 44.901 
                 −5.052 
                 1.00 
                 38.67 
                 A 
               
               
                 ATOM 
                 1133 
                 CG 
                 TYR 
                 A 
                 155 
                 23.503 
                 45.381 
                 −5.790 
                 1.00 
                 38.24 
                 A 
               
               
                 ATOM 
                 1134 
                 CD1 
                 TYR 
                 A 
                 155 
                 23.171 
                 44.855 
                 −7.035 
                 1.00 
                 38.78 
                 A 
               
               
                 ATOM 
                 1135 
                 CE1 
                 TYR 
                 A 
                 155 
                 22.099 
                 45.357 
                 −7.766 
                 1.00 
                 39.06 
                 A 
               
               
                 ATOM 
                 1136 
                 CD2 
                 TYR 
                 A 
                 155 
                 22.725 
                 46.424 
                 −5.284 
                 1.00 
                 38.96 
                 A 
               
               
                 ATOM 
                 1137 
                 CE2 
                 TYR 
                 A 
                 155 
                 21.651 
                 46.935 
                 −6.006 
                 1.00 
                 40.27 
                 A 
               
               
                 ATOM 
                 1138 
                 CZ 
                 TYR 
                 A 
                 155 
                 21.346 
                 46.398 
                 −7.249 
                 1.00 
                 40.64 
                 A 
               
               
                 ATOM 
                 1139 
                 OH 
                 TYR 
                 A 
                 155 
                 20.301 
                 46.910 
                 −7.983 
                 1.00 
                 42.74 
                 A 
               
               
                 ATOM 
                 1140 
                 C 
                 TYR 
                 A 
                 155 
                 27.129 
                 45.367 
                 −4.545 
                 1.00 
                 38.20 
                 A 
               
               
                 ATOM 
                 1141 
                 O 
                 TYR 
                 A 
                 155 
                 26.957 
                 45.356 
                 −3.325 
                 1.00 
                 38.12 
                 A 
               
               
                 ATOM 
                 1142 
                 N 
                 GLY 
                 A 
                 156 
                 28.311 
                 45.147 
                 −5.105 
                 1.00 
                 37.37 
                 A 
               
               
                 ATOM 
                 1143 
                 CA 
                 GLY 
                 A 
                 156 
                 29.471 
                 44.904 
                 −4.270 
                 1.00 
                 37.64 
                 A 
               
               
                 ATOM 
                 1144 
                 C 
                 GLY 
                 A 
                 156 
                 29.602 
                 43.510 
                 −3.700 
                 1.00 
                 37.28 
                 A 
               
               
                 ATOM 
                 1145 
                 O 
                 GLY 
                 A 
                 156 
                 30.449 
                 43.274 
                 −2.835 
                 1.00 
                 37.51 
                 A 
               
               
                 ATOM 
                 1146 
                 N 
                 LEU 
                 A 
                 157 
                 28.765 
                 42.586 
                 −4.157 
                 1.00 
                 36.82 
                 A 
               
               
                 ATOM 
                 1147 
                 CA 
                 LEU 
                 A 
                 157 
                 28.846 
                 41.210 
                 −3.682 
                 1.00 
                 36.96 
                 A 
               
               
                 ATOM 
                 1148 
                 CB 
                 LEU 
                 A 
                 157 
                 27.531 
                 40.480 
                 −3.947 
                 1.00 
                 35.41 
                 A 
               
               
                 ATOM 
                 1149 
                 CG 
                 LEU 
                 A 
                 157 
                 26.314 
                 41.101 
                 −3.245 
                 1.00 
                 35.60 
                 A 
               
               
                 ATOM 
                 1150 
                 CD1 
                 LEU 
                 A 
                 157 
                 25.045 
                 40.359 
                 −3.646 
                 1.00 
                 33.80 
                 A 
               
               
                 ATOM 
                 1151 
                 CD2 
                 LEU 
                 A 
                 157 
                 26.508 
                 41.048 
                 −1.741 
                 1.00 
                 34.21 
                 A 
               
               
                 ATOM 
                 1152 
                 C 
                 LEU 
                 A 
                 157 
                 29.984 
                 40.588 
                 −4.479 
                 1.00 
                 37.62 
                 A 
               
               
                 ATOM 
                 1153 
                 O 
                 LEU 
                 A 
                 157 
                 29.814 
                 40.233 
                 −5.641 
                 1.00 
                 38.02 
                 A 
               
               
                 ATOM 
                 1154 
                 N 
                 ASP 
                 A 
                 158 
                 31.147 
                 40.466 
                 −3.847 
                 1.00 
                 37.12 
                 A 
               
               
                 ATOM 
                 1155 
                 CA 
                 ASP 
                 A 
                 158 
                 32.323 
                 39.942 
                 −4.526 
                 1.00 
                 37.41 
                 A 
               
               
                 ATOM 
                 1156 
                 CB 
                 ASP 
                 A 
                 158 
                 33.355 
                 41.083 
                 −4.669 
                 1.00 
                 38.84 
                 A 
               
               
                 ATOM 
                 1157 
                 CG 
                 ASP 
                 A 
                 158 
                 34.737 
                 40.598 
                 −5.106 
                 1.00 
                 39.06 
                 A 
               
               
                 ATOM 
                 1158 
                 OD1 
                 ASP 
                 A 
                 158 
                 34.823 
                 39.688 
                 −5.952 
                 1.00 
                 40.99 
                 A 
               
               
                 ATOM 
                 1159 
                 OD2 
                 ASP 
                 A 
                 158 
                 35.743 
                 41.150 
                 −4.610 
                 1.00 
                 42.10 
                 A 
               
               
                 ATOM 
                 1160 
                 C 
                 ASP 
                 A 
                 158 
                 32.948 
                 38.713 
                 −3.871 
                 1.00 
                 37.01 
                 A 
               
               
                 ATOM 
                 1161 
                 O 
                 ASP 
                 A 
                 158 
                 32.820 
                 37.600 
                 −4.386 
                 1.00 
                 37.39 
                 A 
               
               
                 ATOM 
                 1162 
                 N 
                 LYS 
                 A 
                 159 
                 33.608 
                 38.902 
                 −2.734 
                 1.00 
                 35.40 
                 A 
               
               
                 ATOM 
                 1163 
                 CA 
                 LYS 
                 A 
                 159 
                 34.258 
                 37.790 
                 −2.061 
                 1.00 
                 34.29 
                 A 
               
               
                 ATOM 
                 1164 
                 CB 
                 LYS 
                 A 
                 159 
                 35.313 
                 38.316 
                 −1.083 
                 1.00 
                 35.64 
                 A 
               
               
                 ATOM 
                 1165 
                 CG 
                 LYS 
                 A 
                 159 
                 36.464 
                 39.047 
                 −1.782 
                 1.00 
                 35.48 
                 A 
               
               
                 ATOM 
                 1166 
                 CD 
                 LYS 
                 A 
                 159 
                 37.021 
                 38.202 
                 −2.931 
                 1.00 
                 39.05 
                 A 
               
               
                 ATOM 
                 1167 
                 CE 
                 LYS 
                 A 
                 159 
                 38.115 
                 38.924 
                 −3.701 
                 1.00 
                 42.30 
                 A 
               
               
                 ATOM 
                 1168 
                 NZ 
                 LYS 
                 A 
                 159 
                 37.950 
                 38.741 
                 −5.171 
                 1.00 
                 44.17 
                 A 
               
               
                 ATOM 
                 1169 
                 C 
                 LYS 
                 A 
                 159 
                 33.312 
                 36.824 
                 −1.362 
                 1.00 
                 33.08 
                 A 
               
               
                 ATOM 
                 1170 
                 O 
                 LYS 
                 A 
                 159 
                 32.411 
                 37.218 
                 −0.615 
                 1.00 
                 32.50 
                 A 
               
               
                 ATOM 
                 1171 
                 N 
                 VAL 
                 A 
                 160 
                 33.555 
                 35.546 
                 −1.615 
                 1.00 
                 33.33 
                 A 
               
               
                 ATOM 
                 1172 
                 CA 
                 VAL 
                 A 
                 160 
                 32.764 
                 34.453 
                 −1.071 
                 1.00 
                 33.25 
                 A 
               
               
                 ATOM 
                 1173 
                 CB 
                 VAL 
                 A 
                 160 
                 32.317 
                 33.542 
                 −2.223 
                 1.00 
                 32.90 
                 A 
               
               
                 ATOM 
                 1174 
                 CG1 
                 VAL 
                 A 
                 160 
                 31.591 
                 32.306 
                 −1.698 
                 1.00 
                 33.69 
                 A 
               
               
                 ATOM 
                 1175 
                 CG2 
                 VAL 
                 A 
                 160 
                 31.429 
                 34.344 
                 −3.162 
                 1.00 
                 30.05 
                 A 
               
               
                 ATOM 
                 1176 
                 C 
                 VAL 
                 A 
                 160 
                 33.574 
                 33.668 
                 −0.045 
                 1.00 
                 33.60 
                 A 
               
               
                 ATOM 
                 1177 
                 O 
                 VAL 
                 A 
                 160 
                 34.608 
                 33.086 
                 −0.375 
                 1.00 
                 33.21 
                 A 
               
               
                 ATOM 
                 1178 
                 N 
                 GLN 
                 A 
                 161 
                 33.105 
                 33.681 
                 1.204 
                 1.00 
                 33.10 
                 A 
               
               
                 ATOM 
                 1179 
                 CA 
                 GLN 
                 A 
                 161 
                 33.760 
                 32.981 
                 2.308 
                 1.00 
                 34.17 
                 A 
               
               
                 ATOM 
                 1180 
                 CB 
                 GLN 
                 A 
                 161 
                 33.308 
                 33.587 
                 3.645 
                 1.00 
                 33.46 
                 A 
               
               
                 ATOM 
                 1181 
                 CG 
                 GLN 
                 A 
                 161 
                 33.870 
                 32.894 
                 4.882 
                 1.00 
                 38.50 
                 A 
               
               
                 ATOM 
                 1182 
                 CD 
                 GLN 
                 A 
                 161 
                 35.384 
                 33.046 
                 5.024 
                 1.00 
                 38.34 
                 A 
               
               
                 ATOM 
                 1183 
                 OE1 
                 GLN 
                 A 
                 161 
                 35.883 
                 34.116 
                 5.365 
                 1.00 
                 42.77 
                 A 
               
               
                 ATOM 
                 1184 
                 NE2 
                 GLN 
                 A 
                 161 
                 36.115 
                 31.972 
                 4.753 
                 1.00 
                 40.54 
                 A 
               
               
                 ATOM 
                 1185 
                 C 
                 GLN 
                 A 
                 161 
                 33.479 
                 31.470 
                 2.297 
                 1.00 
                 33.79 
                 A 
               
               
                 ATOM 
                 1186 
                 O 
                 GLN 
                 A 
                 161 
                 34.224 
                 30.684 
                 2.893 
                 1.00 
                 33.36 
                 A 
               
               
                 ATOM 
                 1187 
                 N 
                 MET 
                 A 
                 162 
                 32.401 
                 31.065 
                 1.629 
                 1.00 
                 31.86 
                 A 
               
               
                 ATOM 
                 1188 
                 CA 
                 MET 
                 A 
                 162 
                 32.056 
                 29.649 
                 1.536 
                 1.00 
                 30.83 
                 A 
               
               
                 ATOM 
                 1189 
                 CB 
                 MET 
                 A 
                 162 
                 31.812 
                 29.048 
                 2.925 
                 1.00 
                 34.42 
                 A 
               
               
                 ATOM 
                 1190 
                 CG 
                 MET 
                 A 
                 162 
                 30.424 
                 29.337 
                 3.461 
                 1.00 
                 36.50 
                 A 
               
               
                 ATOM 
                 1191 
                 SD 
                 MET 
                 A 
                 162 
                 30.433 
                 30.247 
                 5.003 
                 1.00 
                 43.69 
                 A 
               
               
                 ATOM 
                 1192 
                 CE 
                 MET 
                 A 
                 162 
                 29.357 
                 29.180 
                 5.978 
                 1.00 
                 40.85 
                 A 
               
               
                 ATOM 
                 1193 
                 C 
                 MET 
                 A 
                 162 
                 30.804 
                 29.439 
                 0.694 
                 1.00 
                 28.08 
                 A 
               
               
                 ATOM 
                 1194 
                 O 
                 MET 
                 A 
                 162 
                 30.068 
                 30.373 
                 0.416 
                 1.00 
                 29.84 
                 A 
               
               
                 ATOM 
                 1195 
                 N 
                 THR 
                 A 
                 163 
                 30.585 
                 28.200 
                 0.278 
                 1.00 
                 27.90 
                 A 
               
               
                 ATOM 
                 1196 
                 CA 
                 THR 
                 A 
                 163 
                 29.404 
                 27.862 
                 −0.501 
                 1.00 
                 28.23 
                 A 
               
               
                 ATOM 
                 1197 
                 CB 
                 THR 
                 A 
                 163 
                 29.753 
                 27.471 
                 −1.969 
                 1.00 
                 28.07 
                 A 
               
               
                 ATOM 
                 1198 
                 OG1 
                 THR 
                 A 
                 163 
                 30.534 
                 26.268 
                 −1.981 
                 1.00 
                 28.96 
                 A 
               
               
                 ATOM 
                 1199 
                 CG2 
                 THR 
                 A 
                 163 
                 30.515 
                 28.579 
                 −2.640 
                 1.00 
                 28.00 
                 A 
               
               
                 ATOM 
                 1200 
                 C 
                 THR 
                 A 
                 163 
                 28.781 
                 26.657 
                 0.160 
                 1.00 
                 28.16 
                 A 
               
               
                 ATOM 
                 1201 
                 O 
                 THR 
                 A 
                 163 
                 29.440 
                 25.960 
                 0.938 
                 1.00 
                 27.88 
                 A 
               
               
                 ATOM 
                 1202 
                 N 
                 SER 
                 A 
                 164 
                 27.500 
                 26.426 
                 −0.117 
                 1.00 
                 27.41 
                 A 
               
               
                 ATOM 
                 1203 
                 CA 
                 SER 
                 A 
                 164 
                 26.840 
                 25.255 
                 0.412 
                 1.00 
                 28.60 
                 A 
               
               
                 ATOM 
                 1204 
                 CB 
                 SER 
                 A 
                 164 
                 25.893 
                 25.594 
                 1.574 
                 1.00 
                 27.04 
                 A 
               
               
                 ATOM 
                 1205 
                 OG 
                 SER 
                 A 
                 164 
                 24.747 
                 26.310 
                 1.159 
                 1.00 
                 26.10 
                 A 
               
               
                 ATOM 
                 1206 
                 C 
                 SER 
                 A 
                 164 
                 26.078 
                 24.620 
                 −0.735 
                 1.00 
                 28.66 
                 A 
               
               
                 ATOM 
                 1207 
                 O 
                 SER 
                 A 
                 164 
                 25.693 
                 25.301 
                 −1.693 
                 1.00 
                 27.23 
                 A 
               
               
                 ATOM 
                 1208 
                 N 
                 MET 
                 A 
                 165 
                 25.909 
                 23.306 
                 −0.630 
                 1.00 
                 29.00 
                 A 
               
               
                 ATOM 
                 1209 
                 CA 
                 MET 
                 A 
                 165 
                 25.199 
                 22.495 
                 −1.606 
                 1.00 
                 31.67 
                 A 
               
               
                 ATOM 
                 1210 
                 CB 
                 MET 
                 A 
                 165 
                 26.157 
                 21.497 
                 −2.263 
                 1.00 
                 31.92 
                 A 
               
               
                 ATOM 
                 1211 
                 CG 
                 MET 
                 A 
                 165 
                 26.990 
                 22.068 
                 −3.396 
                 1.00 
                 35.54 
                 A 
               
               
                 ATOM 
                 1212 
                 SD 
                 MET 
                 A 
                 165 
                 28.324 
                 23.135 
                 −2.843 
                 1.00 
                 41.52 
                 A 
               
               
                 ATOM 
                 1213 
                 CE 
                 MET 
                 A 
                 165 
                 29.438 
                 21.940 
                 −2.325 
                 1.00 
                 31.41 
                 A 
               
               
                 ATOM 
                 1214 
                 C 
                 MET 
                 A 
                 165 
                 24.075 
                 21.727 
                 −0.920 
                 1.00 
                 29.72 
                 A 
               
               
                 ATOM 
                 1215 
                 O 
                 MET 
                 A 
                 165 
                 24.315 
                 20.961 
                 0.013 
                 1.00 
                 27.76 
                 A 
               
               
                 ATOM 
                 1216 
                 N 
                 ASP 
                 A 
                 166 
                 22.844 
                 21.947 
                 −1.375 
                 1.00 
                 30.14 
                 A 
               
               
                 ATOM 
                 1217 
                 CA 
                 ASP 
                 A 
                 166 
                 21.698 
                 21.252 
                 −0.814 
                 1.00 
                 29.25 
                 A 
               
               
                 ATOM 
                 1218 
                 CB 
                 ASP 
                 A 
                 166 
                 20.522 
                 22.221 
                 −0.637 
                 1.00 
                 31.09 
                 A 
               
               
                 ATOM 
                 1219 
                 CG 
                 ASP 
                 A 
                 166 
                 19.320 
                 21.570 
                 0.030 
                 1.00 
                 28.72 
                 A 
               
               
                 ATOM 
                 1220 
                 OD1 
                 ASP 
                 A 
                 166 
                 19.106 
                 20.354 
                 −0.163 
                 1.00 
                 28.28 
                 A 
               
               
                 ATOM 
                 1221 
                 CD2 
                 ASP 
                 A 
                 166 
                 18.580 
                 22.284 
                 0.733 
                 1.00 
                 30.52 
                 A 
               
               
                 ATOM 
                 1222 
                 C 
                 ASP 
                 A 
                 166 
                 21.359 
                 20.167 
                 −1.826 
                 1.00 
                 28.71 
                 A 
               
               
                 ATOM 
                 1223 
                 O 
                 ASP 
                 A 
                 166 
                 20.857 
                 20.458 
                 −2.918 
                 1.00 
                 27.49 
                 A 
               
               
                 ATOM 
                 1224 
                 N 
                 TYR 
                 A 
                 167 
                 21.650 
                 18.923 
                 −1.457 
                 1.00 
                 29.03 
                 A 
               
               
                 ATOM 
                 1225 
                 CA 
                 TYR 
                 A 
                 167 
                 21.433 
                 17.766 
                 −2.319 
                 1.00 
                 30.30 
                 A 
               
               
                 ATOM 
                 1226 
                 CB 
                 TYR 
                 A 
                 167 
                 22.224 
                 16.577 
                 −1.777 
                 1.00 
                 30.78 
                 A 
               
               
                 ATOM 
                 1227 
                 CG 
                 TYR 
                 A 
                 167 
                 23.710 
                 16.837 
                 −1.744 
                 1.00 
                 30.91 
                 A 
               
               
                 ATOM 
                 1228 
                 CD1 
                 TYR 
                 A 
                 167 
                 24.500 
                 16.645 
                 −2.889 
                 1.00 
                 29.35 
                 A 
               
               
                 ATOM 
                 1229 
                 CE1 
                 TYR 
                 A 
                 167 
                 25.854 
                 16.960 
                 −2.888 
                 1.00 
                 30.22 
                 A 
               
               
                 ATOM 
                 1230 
                 CD2 
                 TYR 
                 A 
                 167 
                 24.320 
                 17.351 
                 −0.597 
                 1.00 
                 28.48 
                 A 
               
               
                 ATOM 
                 1231 
                 CE2 
                 TYR 
                 A 
                 167 
                 25.676 
                 17.672 
                 −0.591 
                 1.00 
                 29.07 
                 A 
               
               
                 ATOM 
                 1232 
                 CZ 
                 TYR 
                 A 
                 167 
                 26.436 
                 17.475 
                 −1.735 
                 1.00 
                 28.34 
                 A 
               
               
                 ATOM 
                 1233 
                 OH 
                 TYR 
                 A 
                 167 
                 27.774 
                 17.779 
                 −1.732 
                 1.00 
                 28.84 
                 A 
               
               
                 ATOM 
                 1234 
                 C 
                 TYR 
                 A 
                 167 
                 19.974 
                 17.371 
                 −2.530 
                 1.00 
                 32.95 
                 A 
               
               
                 ATOM 
                 1235 
                 O 
                 TYR 
                 A 
                 167 
                 19.651 
                 16.750 
                 −3.531 
                 1.00 
                 31.97 
                 A 
               
               
                 ATOM 
                 1236 
                 N 
                 LYS 
                 A 
                 168 
                 19.096 
                 17.730 
                 −1.596 
                 1.00 
                 32.49 
                 A 
               
               
                 ATOM 
                 1237 
                 CA 
                 LYS 
                 A 
                 168 
                 17.678 
                 17.408 
                 −1.731 
                 1.00 
                 34.77 
                 A 
               
               
                 ATOM 
                 1238 
                 CB 
                 LYS 
                 A 
                 168 
                 17.017 
                 17.311 
                 −0.355 
                 1.00 
                 34.50 
                 A 
               
               
                 ATOM 
                 1239 
                 CG 
                 LYS 
                 A 
                 168 
                 17.505 
                 16.127 
                 0.448 
                 1.00 
                 35.07 
                 A 
               
               
                 ATOM 
                 1240 
                 CD 
                 LYS 
                 A 
                 168 
                 16.738 
                 15.999 
                 1.750 
                 1.00 
                 38.33 
                 A 
               
               
                 ATOM 
                 1241 
                 CE 
                 LYS 
                 A 
                 168 
                 17.052 
                 14.688 
                 2.438 
                 1.00 
                 39.81 
                 A 
               
               
                 ATOM 
                 1242 
                 NZ 
                 LYS 
                 A 
                 168 
                 16.297 
                 14.561 
                 3.714 
                 1.00 
                 41.97 
                 A 
               
               
                 ATOM 
                 1243 
                 C 
                 LYS 
                 A 
                 168 
                 16.937 
                 18.427 
                 −2.588 
                 1.00 
                 33.66 
                 A 
               
               
                 ATOM 
                 1244 
                 O 
                 LYS 
                 A 
                 168 
                 16.064 
                 18.070 
                 −3.368 
                 1.00 
                 35.97 
                 A 
               
               
                 ATOM 
                 1245 
                 N 
                 LYS 
                 A 
                 169 
                 17.285 
                 19.696 
                 −2.451 
                 1.00 
                 33.56 
                 A 
               
               
                 ATOM 
                 1246 
                 CA 
                 LYS 
                 A 
                 169 
                 16.623 
                 20.720 
                 −3.231 
                 1.00 
                 33.68 
                 A 
               
               
                 ATOM 
                 1247 
                 CB 
                 LYS 
                 A 
                 169 
                 16.364 
                 21.946 
                 −2.357 
                 1.00 
                 34.85 
                 A 
               
               
                 ATOM 
                 1248 
                 CG 
                 LYS 
                 A 
                 169 
                 15.481 
                 21.625 
                 −1.168 
                 1.00 
                 39.08 
                 A 
               
               
                 ATOM 
                 1249 
                 CD 
                 LYS 
                 A 
                 169 
                 15.060 
                 22.866 
                 −0.415 
                 1.00 
                 42.71 
                 A 
               
               
                 ATOM 
                 1250 
                 CE 
                 LYS 
                 A 
                 169 
                 14.149 
                 22.503 
                 0.749 
                 1.00 
                 44.29 
                 A 
               
               
                 ATOM 
                 1251 
                 NZ 
                 LYS 
                 A 
                 169 
                 13.666 
                 23.718 
                 1.473 
                 1.00 
                 47.87 
                 A 
               
               
                 ATOM 
                 1252 
                 C 
                 LYS 
                 A 
                 169 
                 17.424 
                 21.113 
                 −4.459 
                 1.00 
                 32.16 
                 A 
               
               
                 ATOM 
                 1253 
                 O 
                 LYS 
                 A 
                 169 
                 16.948 
                 21.880 
                 −5.291 
                 1.00 
                 32.91 
                 A 
               
               
                 ATOM 
                 1254 
                 N 
                 ARG 
                 A 
                 170 
                 18.635 
                 20.573 
                 −4.573 
                 1.00 
                 30.70 
                 A 
               
               
                 ATOM 
                 1255 
                 CA 
                 ARG 
                 A 
                 170 
                 19.519 
                 20.889 
                 −5.691 
                 1.00 
                 31.30 
                 A 
               
               
                 ATOM 
                 1256 
                 CB 
                 ARG 
                 A 
                 170 
                 18.959 
                 20.322 
                 −6.999 
                 1.00 
                 34.37 
                 A 
               
               
                 ATOM 
                 1257 
                 CG 
                 ARG 
                 A 
                 170 
                 18.911 
                 18.794 
                 −7.048 
                 1.00 
                 40.86 
                 A 
               
               
                 ATOM 
                 1258 
                 CD 
                 ARG 
                 A 
                 170 
                 18.230 
                 18.309 
                 −8.329 
                 1.00 
                 45.92 
                 A 
               
               
                 ATOM 
                 1259 
                 NE 
                 ARG 
                 A 
                 170 
                 18.162 
                 16.848 
                 −8.360 
                 1.00 
                 51.57 
                 A 
               
               
                 ATOM 
                 1260 
                 CZ 
                 ARG 
                 A 
                 170 
                 18.496 
                 16.048 
                 −7.350 
                 1.00 
                 53.83 
                 A 
               
               
                 ATOM 
                 1261 
                 NH1 
                 ARG 
                 A 
                 170 
                 18.930 
                 16.558 
                 −6.207 
                 1.00 
                 55.24 
                 A 
               
               
                 ATOM 
                 1262 
                 NH2 
                 ARG 
                 A 
                 170 
                 18.394 
                 14.733 
                 −7.489 
                 1.00 
                 55.41 
                 A 
               
               
                 ATOM 
                 1263 
                 C 
                 ARG 
                 A 
                 170 
                 19.684 
                 22.403 
                 −5.793 
                 1.00 
                 30.20 
                 A 
               
               
                 ATOM 
                 1264 
                 O 
                 ARG 
                 A 
                 170 
                 19.392 
                 23.012 
                 −6.827 
                 1.00 
                 27.37 
                 A 
               
               
                 ATOM 
                 1265 
                 N 
                 GLN 
                 A 
                 171 
                 20.157 
                 23.006 
                 −4.702 
                 1.00 
                 27.02 
                 A 
               
               
                 ATOM 
                 1266 
                 CA 
                 GLN 
                 A 
                 171 
                 20.361 
                 24.446 
                 −4.634 
                 1.00 
                 27.26 
                 A 
               
               
                 ATOM 
                 1267 
                 CB 
                 GLN 
                 A 
                 171 
                 19.271 
                 25.112 
                 −3.784 
                 1.00 
                 27.34 
                 A 
               
               
                 ATOM 
                 1268 
                 CG 
                 GLN 
                 A 
                 171 
                 17.861 
                 24.995 
                 −4.373 
                 1.00 
                 29.77 
                 A 
               
               
                 ATOM 
                 1269 
                 CD 
                 GLN 
                 A 
                 171 
                 16.795 
                 25.663 
                 −3.519 
                 1.00 
                 31.84 
                 A 
               
               
                 ATOM 
                 1270 
                 OE1 
                 GLN 
                 A 
                 171 
                 16.885 
                 25.688 
                 −2.293 
                 1.00 
                 30.82 
                 A 
               
               
                 ATOM 
                 1271 
                 NE2 
                 GLN 
                 A 
                 171 
                 15.762 
                 26.192 
                 −4.171 
                 1.00 
                 33.68 
                 A 
               
               
                 ATOM 
                 1272 
                 C 
                 GLN 
                 A 
                 171 
                 21.731 
                 24.751 
                 −4.044 
                 1.00 
                 26.95 
                 A 
               
               
                 ATOM 
                 1273 
                 O 
                 GLN 
                 A 
                 171 
                 22.286 
                 23.940 
                 −3.303 
                 1.00 
                 24.99 
                 A 
               
               
                 ATOM 
                 1274 
                 N 
                 VAL 
                 A 
                 172 
                 22.264 
                 25.918 
                 −4.397 
                 1.00 
                 26.41 
                 A 
               
               
                 ATOM 
                 1275 
                 CA 
                 VAL 
                 A 
                 172 
                 23.573 
                 26.369 
                 −3.936 
                 1.00 
                 29.58 
                 A 
               
               
                 ATOM 
                 1276 
                 CB 
                 VAL 
                 A 
                 172 
                 24.593 
                 26.436 
                 −5.114 
                 1.00 
                 27.24 
                 A 
               
               
                 ATOM 
                 1277 
                 CG1 
                 VAL 
                 A 
                 172 
                 25.931 
                 26.995 
                 −4.627 
                 1.00 
                 28.16 
                 A 
               
               
                 ATOM 
                 1278 
                 CG2 
                 VAL 
                 A 
                 172 
                 24.802 
                 25.061 
                 −5.703 
                 1.00 
                 27.97 
                 A 
               
               
                 ATOM 
                 1279 
                 C 
                 VAL 
                 A 
                 172 
                 23.476 
                 27.761 
                 −3.309 
                 1.00 
                 30.14 
                 A 
               
               
                 ATOM 
                 1280 
                 O 
                 VAL 
                 A 
                 172 
                 22.788 
                 28.645 
                 −3.836 
                 1.00 
                 32.05 
                 A 
               
               
                 ATOM 
                 1281 
                 N 
                 ASN 
                 A 
                 173 
                 24.153 
                 27.941 
                 −2.176 
                 1.00 
                 29.48 
                 A 
               
               
                 ATOM 
                 1282 
                 CA 
                 ASN 
                 A 
                 173 
                 24.182 
                 29.228 
                 −1.490 
                 1.00 
                 27.27 
                 A 
               
               
                 ATOM 
                 1283 
                 CB 
                 ASN 
                 A 
                 173 
                 23.887 
                 29.074 
                 0.014 
                 1.00 
                 29.16 
                 A 
               
               
                 ATOM 
                 1284 
                 CG 
                 ASN 
                 A 
                 173 
                 22.423 
                 28.831 
                 0.308 
                 1.00 
                 28.68 
                 A 
               
               
                 ATOM 
                 1285 
                 OD1 
                 ASN 
                 A 
                 173 
                 21.594 
                 28.860 
                 −0.595 
                 1.00 
                 27.97 
                 A 
               
               
                 ATOM 
                 1286 
                 ND2 
                 ASN 
                 A 
                 173 
                 22.094 
                 28.599 
                 1.591 
                 1.00 
                 26.44 
                 A 
               
               
                 ATOM 
                 1287 
                 C 
                 ASN 
                 A 
                 173 
                 25.588 
                 29.809 
                 −1.639 
                 1.00 
                 27.49 
                 A 
               
               
                 ATOM 
                 1288 
                 O 
                 ASN 
                 A 
                 173 
                 26.572 
                 29.080 
                 −1.523 
                 1.00 
                 27.57 
                 A 
               
               
                 ATOM 
                 1289 
                 N 
                 LEU 
                 A 
                 174 
                 25.672 
                 31.109 
                 −1.907 
                 1.00 
                 26.38 
                 A 
               
               
                 ATOM 
                 1290 
                 CA 
                 LEU 
                 A 
                 174 
                 26.961 
                 31.793 
                 −2.011 
                 1.00 
                 27.88 
                 A 
               
               
                 ATOM 
                 1291 
                 CB 
                 LEU 
                 A 
                 174 
                 27.047 
                 32.605 
                 −3.308 
                 1.00 
                 29.77 
                 A 
               
               
                 ATOM 
                 1292 
                 CG 
                 LEU 
                 A 
                 174 
                 26.831 
                 31.854 
                 −4.631 
                 1.00 
                 29.34 
                 A 
               
               
                 ATOM 
                 1293 
                 CD1 
                 LEU 
                 A 
                 174 
                 27.115 
                 32.800 
                 −5.784 
                 1.00 
                 30.72 
                 A 
               
               
                 ATOM 
                 1294 
                 CD2 
                 LEU 
                 A 
                 174 
                 27.750 
                 30.647 
                 −4.718 
                 1.00 
                 29.99 
                 A 
               
               
                 ATOM 
                 1295 
                 C 
                 LEU 
                 A 
                 174 
                 27.041 
                 32.735 
                 −0.810 
                 1.00 
                 27.33 
                 A 
               
               
                 ATOM 
                 1296 
                 O 
                 LEU 
                 A 
                 174 
                 26.324 
                 33.737 
                 −0.749 
                 1.00 
                 24.91 
                 A 
               
               
                 ATOM 
                 1297 
                 N 
                 TYR 
                 A 
                 175 
                 27.906 
                 32.420 
                 0.151 
                 1.00 
                 27.35 
                 A 
               
               
                 ATOM 
                 1298 
                 CA 
                 TYR 
                 A 
                 175 
                 28.023 
                 33.266 
                 1.330 
                 1.00 
                 28.53 
                 A 
               
               
                 ATOM 
                 1299 
                 CB 
                 TYR 
                 A 
                 175 
                 28.377 
                 32.420 
                 2.565 
                 1.00 
                 26.66 
                 A 
               
               
                 ATOM 
                 1300 
                 CG 
                 TYR 
                 A 
                 175 
                 27.343 
                 31.347 
                 2.890 
                 1.00 
                 28.27 
                 A 
               
               
                 ATOM 
                 1301 
                 CD1 
                 TYR 
                 A 
                 175 
                 27.339 
                 30.115 
                 2.229 
                 1.00 
                 28.80 
                 A 
               
               
                 ATOM 
                 1302 
                 CE1 
                 TYR 
                 A 
                 175 
                 26.352 
                 29.150 
                 2.496 
                 1.00 
                 29.04 
                 A 
               
               
                 ATOM 
                 1303 
                 CD2 
                 TYR 
                 A 
                 175 
                 26.340 
                 31.588 
                 3.826 
                 1.00 
                 29.47 
                 A 
               
               
                 ATOM 
                 1304 
                 CE2 
                 TYR 
                 A 
                 175 
                 25.355 
                 30.642 
                 4.094 
                 1.00 
                 29.90 
                 A 
               
               
                 ATOM 
                 1305 
                 CZ 
                 TYR 
                 A 
                 175 
                 25.360 
                 29.432 
                 3.433 
                 1.00 
                 30.82 
                 A 
               
               
                 ATOM 
                 1306 
                 OH 
                 TYR 
                 A 
                 175 
                 24.358 
                 28.522 
                 3.702 
                 1.00 
                 28.60 
                 A 
               
               
                 ATOM 
                 1307 
                 C 
                 TYR 
                 A 
                 175 
                 29.043 
                 34.380 
                 1.109 
                 1.00 
                 28.09 
                 A 
               
               
                 ATOM 
                 1308 
                 O 
                 TYR 
                 A 
                 175 
                 30.239 
                 34.182 
                 1.298 
                 1.00 
                 31.10 
                 A 
               
               
                 ATOM 
                 1309 
                 N 
                 PHE 
                 A 
                 176 
                 28.550 
                 35.551 
                 0.704 
                 1.00 
                 27.31 
                 A 
               
               
                 ATOM 
                 1310 
                 CA 
                 PHE 
                 A 
                 176 
                 29.393 
                 36.714 
                 0.444 
                 1.00 
                 28.26 
                 A 
               
               
                 ATOM 
                 1311 
                 CB 
                 PHE 
                 A 
                 176 
                 28.622 
                 37.774 
                 −0.341 
                 1.00 
                 27.28 
                 A 
               
               
                 ATOM 
                 1312 
                 CG 
                 PHE 
                 A 
                 176 
                 28.354 
                 37.387 
                 −1.772 
                 1.00 
                 27.93 
                 A 
               
               
                 ATOM 
                 1313 
                 CD1 
                 PHE 
                 A 
                 176 
                 27.081 
                 36.992 
                 −2.173 
                 1.00 
                 28.47 
                 A 
               
               
                 ATOM 
                 1314 
                 CD2 
                 PHE 
                 A 
                 176 
                 29.373 
                 37.435 
                 −2.719 
                 1.00 
                 28.88 
                 A 
               
               
                 ATOM 
                 1315 
                 CE1 
                 PHE 
                 A 
                 176 
                 26.822 
                 36.650 
                 −3.511 
                 1.00 
                 29.48 
                 A 
               
               
                 ATOM 
                 1316 
                 CE2 
                 PHE 
                 A 
                 176 
                 29.126 
                 37.096 
                 −4.062 
                 1.00 
                 28.83 
                 A 
               
               
                 ATOM 
                 1317 
                 CZ 
                 PHE 
                 A 
                 176 
                 27.848 
                 36.704 
                 −4.452 
                 1.00 
                 28.88 
                 A 
               
               
                 ATOM 
                 1318 
                 C 
                 PHE 
                 A 
                 176 
                 29.916 
                 37.315 
                 1.744 
                 1.00 
                 29.45 
                 A 
               
               
                 ATOM 
                 1319 
                 O 
                 PHE 
                 A 
                 176 
                 29.180 
                 37.418 
                 2.734 
                 1.00 
                 27.17 
                 A 
               
               
                 ATOM 
                 1320 
                 N 
                 SER 
                 A 
                 177 
                 31.184 
                 37.726 
                 1.722 
                 1.00 
                 30.00 
                 A 
               
               
                 ATOM 
                 1321 
                 CA 
                 SER 
                 A 
                 177 
                 31.841 
                 38.281 
                 2.910 
                 1.00 
                 31.18 
                 A 
               
               
                 ATOM 
                 1322 
                 CB 
                 SER 
                 A 
                 177 
                 32.876 
                 37.270 
                 3.419 
                 1.00 
                 30.63 
                 A 
               
               
                 ATOM 
                 1323 
                 OG 
                 SER 
                 A 
                 177 
                 33.179 
                 37.472 
                 4.786 
                 1.00 
                 31.80 
                 A 
               
               
                 ATOM 
                 1324 
                 C 
                 SER 
                 A 
                 177 
                 32.516 
                 39.631 
                 2.637 
                 1.00 
                 32.16 
                 A 
               
               
                 ATOM 
                 1325 
                 O 
                 SER 
                 A 
                 177 
                 32.466 
                 40.149 
                 1.513 
                 1.00 
                 31.15 
                 A 
               
               
                 ATOM 
                 1326 
                 N 
                 GLU 
                 A 
                 178 
                 33.161 
                 40.188 
                 3.663 
                 1.00 
                 32.64 
                 A 
               
               
                 ATOM 
                 1327 
                 CA 
                 GLU 
                 A 
                 178 
                 33.822 
                 41.485 
                 3.542 
                 1.00 
                 33.04 
                 A 
               
               
                 ATOM 
                 1328 
                 CB 
                 GLU 
                 A 
                 178 
                 35.134 
                 41.352 
                 2.743 
                 1.00 
                 35.78 
                 A 
               
               
                 ATOM 
                 1329 
                 CG 
                 GLU 
                 A 
                 178 
                 36.116 
                 40.349 
                 3.361 
                 1.00 
                 36.71 
                 A 
               
               
                 ATOM 
                 1330 
                 CD 
                 GLU 
                 A 
                 178 
                 37.519 
                 40.402 
                 2.759 
                 1.00 
                 37.67 
                 A 
               
               
                 ATOM 
                 1331 
                 OE1 
                 GLU 
                 A 
                 178 
                 37.654 
                 40.565 
                 1.521 
                 1.00 
                 36.25 
                 A 
               
               
                 ATOM 
                 1332 
                 OE2 
                 GLU 
                 A 
                 178 
                 38.490 
                 40.259 
                 3.535 
                 1.00 
                 37.28 
                 A 
               
               
                 ATOM 
                 1333 
                 C 
                 GLU 
                 A 
                 178 
                 32.866 
                 42.458 
                 2.856 
                 1.00 
                 33.20 
                 A 
               
               
                 ATOM 
                 1334 
                 O 
                 GLU 
                 A 
                 178 
                 33.208 
                 43.106 
                 1.860 
                 1.00 
                 35.37 
                 A 
               
               
                 ATOM 
                 1335 
                 N 
                 LEU 
                 A 
                 179 
                 31.653 
                 42.548 
                 3.395 
                 1.00 
                 32.06 
                 A 
               
               
                 ATOM 
                 1336 
                 CA 
                 LEU 
                 A 
                 179 
                 30.623 
                 43.422 
                 2.843 
                 1.00 
                 32.29 
                 A 
               
               
                 ATOM 
                 1337 
                 CB 
                 LEU 
                 A 
                 179 
                 29.261 
                 43.035 
                 3.417 
                 1.00 
                 31.59 
                 A 
               
               
                 ATOM 
                 1338 
                 CG 
                 LEU 
                 A 
                 179 
                 28.898 
                 41.550 
                 3.303 
                 1.00 
                 32.74 
                 A 
               
               
                 ATOM 
                 1339 
                 CD1 
                 LEU 
                 A 
                 179 
                 27.623 
                 41.288 
                 4.080 
                 1.00 
                 34.49 
                 A 
               
               
                 ATOM 
                 1340 
                 CD2 
                 LEU 
                 A 
                 179 
                 28.736 
                 41.160 
                 1.826 
                 1.00 
                 32.26 
                 A 
               
               
                 ATOM 
                 1341 
                 C 
                 LEU 
                 A 
                 179 
                 30.889 
                 44.900 
                 3.128 
                 1.00 
                 33.85 
                 A 
               
               
                 ATOM 
                 1342 
                 O 
                 LEU 
                 A 
                 179 
                 31.072 
                 45.295 
                 4.282 
                 1.00 
                 33.79 
                 A 
               
               
                 ATOM 
                 1343 
                 N 
                 SER 
                 A 
                 180 
                 30.905 
                 45.717 
                 2.078 
                 1.00 
                 34.71 
                 A 
               
               
                 ATOM 
                 1344 
                 CA 
                 SER 
                 A 
                 180 
                 31.132 
                 47.149 
                 2.240 
                 1.00 
                 36.87 
                 A 
               
               
                 ATOM 
                 1345 
                 CB 
                 SER 
                 A 
                 180 
                 31.390 
                 47.821 
                 0.890 
                 1.00 
                 38.51 
                 A 
               
               
                 ATOM 
                 1346 
                 OG 
                 SER 
                 A 
                 180 
                 30.177 
                 48.062 
                 0.205 
                 1.00 
                 41.84 
                 A 
               
               
                 ATOM 
                 1347 
                 C 
                 SER 
                 A 
                 180 
                 29.888 
                 47.770 
                 2.864 
                 1.00 
                 38.21 
                 A 
               
               
                 ATOM 
                 1348 
                 O 
                 SER 
                 A 
                 180 
                 28.784 
                 47.236 
                 2.723 
                 1.00 
                 35.22 
                 A 
               
               
                 ATOM 
                 1349 
                 N 
                 ALA 
                 A 
                 181 
                 30.073 
                 48.898 
                 3.544 
                 1.00 
                 37.72 
                 A 
               
               
                 ATOM 
                 1350 
                 CA 
                 ALA 
                 A 
                 181 
                 28.969 
                 49.597 
                 4.188 
                 1.00 
                 39.03 
                 A 
               
               
                 ATOM 
                 1351 
                 CB 
                 ALA 
                 A 
                 181 
                 29.487 
                 50.855 
                 4.886 
                 1.00 
                 37.87 
                 A 
               
               
                 ATOM 
                 1352 
                 C 
                 ALA 
                 A 
                 181 
                 27.901 
                 49.968 
                 3.166 
                 1.00 
                 39.40 
                 A 
               
               
                 ATOM 
                 1353 
                 O 
                 ALA 
                 A 
                 181 
                 26.701 
                 49.909 
                 3.449 
                 1.00 
                 39.97 
                 A 
               
               
                 ATOM 
                 1354 
                 N 
                 GLN 
                 A 
                 182 
                 28.342 
                 50.337 
                 1.971 
                 1.00 
                 38.70 
                 A 
               
               
                 ATOM 
                 1355 
                 CA 
                 GLN 
                 A 
                 182 
                 27.419 
                 50.733 
                 0.918 
                 1.00 
                 39.60 
                 A 
               
               
                 ATOM 
                 1356 
                 CB 
                 GLN 
                 A 
                 182 
                 28.192 
                 51.136 
                 −0.336 
                 1.00 
                 40.99 
                 A 
               
               
                 ATOM 
                 1357 
                 CG 
                 GLN 
                 A 
                 182 
                 27.303 
                 51.450 
                 −1.522 
                 1.00 
                 45.59 
                 A 
               
               
                 ATOM 
                 1358 
                 CD 
                 GLN 
                 A 
                 182 
                 27.915 
                 52.474 
                 −2.455 
                 1.00 
                 46.88 
                 A 
               
               
                 ATOM 
                 1359 
                 OE1 
                 GLN 
                 A 
                 182 
                 29.124 
                 52.485 
                 −2.683 
                 1.00 
                 51.04 
                 A 
               
               
                 ATOM 
                 1360 
                 NE2 
                 GLN 
                 A 
                 182 
                 27.075 
                 53.336 
                 −3.013 
                 1.00 
                 49.22 
                 A 
               
               
                 ATOM 
                 1361 
                 C 
                 GLN 
                 A 
                 182 
                 26.430 
                 49.634 
                 0.580 
                 1.00 
                 39.40 
                 A 
               
               
                 ATOM 
                 1362 
                 O 
                 GLN 
                 A 
                 182 
                 25.218 
                 49.869 
                 0.548 
                 1.00 
                 40.56 
                 A 
               
               
                 ATOM 
                 1363 
                 N 
                 THR 
                 A 
                 183 
                 26.951 
                 48.435 
                 0.330 
                 1.00 
                 38.08 
                 A 
               
               
                 ATOM 
                 1364 
                 CA 
                 THR 
                 A 
                 183 
                 26.125 
                 47.284 
                 −0.006 
                 1.00 
                 36.74 
                 A 
               
               
                 ATOM 
                 1365 
                 CB 
                 THR 
                 A 
                 183 
                 26.980 
                 45.990 
                 −0.097 
                 1.00 
                 36.40 
                 A 
               
               
                 ATOM 
                 1366 
                 OG1 
                 THR 
                 A 
                 183 
                 27.950 
                 46.122 
                 −1.146 
                 1.00 
                 36.47 
                 A 
               
               
                 ATOM 
                 1367 
                 CG2 
                 THR 
                 A 
                 183 
                 26.098 
                 44.789 
                 −0.378 
                 1.00 
                 34.06 
                 A 
               
               
                 ATOM 
                 1368 
                 C 
                 THR 
                 A 
                 183 
                 25.003 
                 47.045 
                 1.005 
                 1.00 
                 36.17 
                 A 
               
               
                 ATOM 
                 1369 
                 O 
                 THR 
                 A 
                 183 
                 23.900 
                 46.661 
                 0.627 
                 1.00 
                 35.97 
                 A 
               
               
                 ATOM 
                 1370 
                 N 
                 LEU 
                 A 
                 184 
                 25.282 
                 47.278 
                 2.284 
                 1.00 
                 35.23 
                 A 
               
               
                 ATOM 
                 1371 
                 CA 
                 LEU 
                 A 
                 184 
                 24.287 
                 47.051 
                 3.327 
                 1.00 
                 35.08 
                 A 
               
               
                 ATOM 
                 1372 
                 CB 
                 LEU 
                 A 
                 184 
                 24.969 
                 46.532 
                 4.598 
                 1.00 
                 34.37 
                 A 
               
               
                 ATOM 
                 1373 
                 CG 
                 LEU 
                 A 
                 184 
                 25.642 
                 45.161 
                 4.475 
                 1.00 
                 32.38 
                 A 
               
               
                 ATOM 
                 1374 
                 CD1 
                 LEU 
                 A 
                 184 
                 26.367 
                 44.840 
                 5.767 
                 1.00 
                 34.20 
                 A 
               
               
                 ATOM 
                 1375 
                 CD2 
                 LEU 
                 A 
                 184 
                 24.609 
                 44.089 
                 4.153 
                 1.00 
                 31.86 
                 A 
               
               
                 ATOM 
                 1376 
                 C 
                 LEU 
                 A 
                 184 
                 23.397 
                 48.241 
                 3.681 
                 1.00 
                 37.71 
                 A 
               
               
                 ATOM 
                 1377 
                 O 
                 LEU 
                 A 
                 184 
                 22.552 
                 48.128 
                 4.574 
                 1.00 
                 36.83 
                 A 
               
               
                 ATOM 
                 1378 
                 N 
                 GLU 
                 A 
                 185 
                 23.577 
                 49.375 
                 3.007 
                 1.00 
                 37.02 
                 A 
               
               
                 ATOM 
                 1379 
                 CA 
                 GLU 
                 A 
                 185 
                 22.726 
                 50.525 
                 3.296 
                 1.00 
                 39.60 
                 A 
               
               
                 ATOM 
                 1380 
                 CB 
                 GLU 
                 A 
                 185 
                 23.325 
                 51.831 
                 2.771 
                 1.00 
                 42.09 
                 A 
               
               
                 ATOM 
                 1381 
                 CG 
                 GLU 
                 A 
                 185 
                 24.105 
                 52.608 
                 3.819 
                 1.00 
                 47.09 
                 A 
               
               
                 ATOM 
                 1382 
                 CD 
                 GLU 
                 A 
                 185 
                 23.375 
                 52.699 
                 5.158 
                 1.00 
                 49.21 
                 A 
               
               
                 ATOM 
                 1383 
                 OE1 
                 GLU 
                 A 
                 185 
                 22.140 
                 52.931 
                 5.168 
                 1.00 
                 50.57 
                 A 
               
               
                 ATOM 
                 1384 
                 OE2 
                 GLU 
                 A 
                 185 
                 24.040 
                 52.546 
                 6.206 
                 1.00 
                 48.86 
                 A 
               
               
                 ATOM 
                 1385 
                 C 
                 GLU 
                 A 
                 185 
                 21.369 
                 50.296 
                 2.660 
                 1.00 
                 37.48 
                 A 
               
               
                 ATOM 
                 1386 
                 O 
                 GLU 
                 A 
                 185 
                 21.261 
                 49.592 
                 1.656 
                 1.00 
                 35.55 
                 A 
               
               
                 ATOM 
                 1387 
                 N 
                 ALA 
                 A 
                 186 
                 20.342 
                 50.898 
                 3.257 
                 1.00 
                 37.32 
                 A 
               
               
                 ATOM 
                 1388 
                 CA 
                 ALA 
                 A 
                 186 
                 18.965 
                 50.754 
                 2.795 
                 1.00 
                 35.80 
                 A 
               
               
                 ATOM 
                 1389 
                 CB 
                 ALA 
                 A 
                 186 
                 18.073 
                 51.738 
                 3.535 
                 1.00 
                 35.92 
                 A 
               
               
                 ATOM 
                 1390 
                 C 
                 ALA 
                 A 
                 186 
                 18.777 
                 50.915 
                 1.290 
                 1.00 
                 36.43 
                 A 
               
               
                 ATOM 
                 1391 
                 O 
                 ALA 
                 A 
                 186 
                 18.143 
                 50.080 
                 0.645 
                 1.00 
                 34.72 
                 A 
               
               
                 ATOM 
                 1392 
                 N 
                 GLU 
                 A 
                 187 
                 19.316 
                 51.995 
                 0.734 
                 1.00 
                 37.69 
                 A 
               
               
                 ATOM 
                 1393 
                 CA 
                 GLU 
                 A 
                 187 
                 19.183 
                 52.254 
                 −0.690 
                 1.00 
                 38.57 
                 A 
               
               
                 ATOM 
                 1394 
                 CB 
                 GLU 
                 A 
                 187 
                 19.920 
                 53.549 
                 −1.042 
                 1.00 
                 42.29 
                 A 
               
               
                 ATOM 
                 1395 
                 CG 
                 GLU 
                 A 
                 187 
                 20.121 
                 53.794 
                 −2.529 
                 1.00 
                 46.35 
                 A 
               
               
                 ATOM 
                 1396 
                 CD 
                 GLU 
                 A 
                 187 
                 20.874 
                 55.089 
                 −2.798 
                 1.00 
                 48.77 
                 A 
               
               
                 ATOM 
                 1397 
                 OE1 
                 GLU 
                 A 
                 187 
                 20.265 
                 56.173 
                 −2.642 
                 1.00 
                 51.07 
                 A 
               
               
                 ATOM 
                 1398 
                 OE2 
                 GLU 
                 A 
                 187 
                 22.075 
                 55.019 
                 −3.149 
                 1.00 
                 49.51 
                 A 
               
               
                 ATOM 
                 1399 
                 C 
                 GLU 
                 A 
                 187 
                 19.697 
                 51.092 
                 −1.536 
                 1.00 
                 37.10 
                 A 
               
               
                 ATOM 
                 1400 
                 O 
                 GLU 
                 A 
                 187 
                 19.036 
                 50.672 
                 −2.482 
                 1.00 
                 36.07 
                 A 
               
               
                 ATOM 
                 1401 
                 N 
                 SER 
                 A 
                 188 
                 20.874 
                 50.580 
                 −1.195 
                 1.00 
                 36.10 
                 A 
               
               
                 ATOM 
                 1402 
                 CA 
                 SER 
                 A 
                 188 
                 21.476 
                 49.461 
                 −1.914 
                 1.00 
                 34.79 
                 A 
               
               
                 ATOM 
                 1403 
                 CB 
                 SER 
                 A 
                 188 
                 22.916 
                 49.240 
                 −1.439 
                 1.00 
                 35.13 
                 A 
               
               
                 ATOM 
                 1404 
                 OG 
                 SER 
                 A 
                 188 
                 23.412 
                 47.986 
                 −1.888 
                 1.00 
                 42.19 
                 A 
               
               
                 ATOM 
                 1405 
                 C 
                 SER 
                 A 
                 188 
                 20.685 
                 48.161 
                 −1.749 
                 1.00 
                 33.67 
                 A 
               
               
                 ATOM 
                 1406 
                 O 
                 SER 
                 A 
                 188 
                 20.430 
                 47.450 
                 −2.725 
                 1.00 
                 32.43 
                 A 
               
               
                 ATOM 
                 1407 
                 N 
                 VAL 
                 A 
                 189 
                 20.308 
                 47.846 
                 −0.512 
                 1.00 
                 32.53 
                 A 
               
               
                 ATOM 
                 1408 
                 CA 
                 VAL 
                 A 
                 189 
                 19.548 
                 46.633 
                 −0.241 
                 1.00 
                 33.25 
                 A 
               
               
                 ATOM 
                 1409 
                 CB 
                 VAL 
                 A 
                 189 
                 19.229 
                 46.498 
                 1.269 
                 1.00 
                 34.36 
                 A 
               
               
                 ATOM 
                 1410 
                 CG1 
                 VAL 
                 A 
                 189 
                 18.267 
                 45.345 
                 1.500 
                 1.00 
                 32.73 
                 A 
               
               
                 ATOM 
                 1411 
                 CG2 
                 VAL 
                 A 
                 189 
                 20.512 
                 46.259 
                 2.052 
                 1.00 
                 35.61 
                 A 
               
               
                 ATOM 
                 1412 
                 C 
                 VAL 
                 A 
                 189 
                 18.240 
                 46.610 
                 −1.032 
                 1.00 
                 32.13 
                 A 
               
               
                 ATOM 
                 1413 
                 O 
                 VAL 
                 A 
                 189 
                 17.916 
                 45.611 
                 −1.660 
                 1.00 
                 31.84 
                 A 
               
               
                 ATOM 
                 1414 
                 N 
                 LEU 
                 A 
                 190 
                 17.495 
                 47.714 
                 −1.005 
                 1.00 
                 32.08 
                 A 
               
               
                 ATOM 
                 1415 
                 CA 
                 LEU 
                 A 
                 190 
                 16.220 
                 47.798 
                 −1.718 
                 1.00 
                 32.32 
                 A 
               
               
                 ATOM 
                 1416 
                 CB 
                 LEU 
                 A 
                 190 
                 15.539 
                 49.139 
                 −1.426 
                 1.00 
                 33.11 
                 A 
               
               
                 ATOM 
                 1417 
                 CG 
                 LEU 
                 A 
                 190 
                 14.876 
                 49.287 
                 −0.052 
                 1.00 
                 32.87 
                 A 
               
               
                 ATOM 
                 1418 
                 CD1 
                 LEU 
                 A 
                 190 
                 14.378 
                 50.724 
                 0.120 
                 1.00 
                 33.09 
                 A 
               
               
                 ATOM 
                 1419 
                 CD2 
                 LEU 
                 A 
                 190 
                 13.713 
                 48.304 
                 0.071 
                 1.00 
                 31.45 
                 A 
               
               
                 ATOM 
                 1420 
                 C 
                 LEU 
                 A 
                 190 
                 16.362 
                 47.618 
                 −3.229 
                 1.00 
                 33.42 
                 A 
               
               
                 ATOM 
                 1421 
                 O 
                 LEU 
                 A 
                 190 
                 15.555 
                 46.936 
                 −3.855 
                 1.00 
                 33.09 
                 A 
               
               
                 ATOM 
                 1422 
                 N 
                 ALA 
                 A 
                 191 
                 17.379 
                 48.238 
                 −3.816 
                 1.00 
                 33.70 
                 A 
               
               
                 ATOM 
                 1423 
                 CA 
                 ALA 
                 A 
                 191 
                 17.600 
                 48.113 
                 −5.251 
                 1.00 
                 34.39 
                 A 
               
               
                 ATOM 
                 1424 
                 CB 
                 ALA 
                 A 
                 191 
                 18.766 
                 48.987 
                 −5.681 
                 1.00 
                 36.16 
                 A 
               
               
                 ATOM 
                 1425 
                 C 
                 ALA 
                 A 
                 191 
                 17.886 
                 46.656 
                 −5.576 
                 1.00 
                 35.14 
                 A 
               
               
                 ATOM 
                 1426 
                 O 
                 ALA 
                 A 
                 191 
                 17.399 
                 46.122 
                 −6.572 
                 1.00 
                 36.27 
                 A 
               
               
                 ATOM 
                 1427 
                 N 
                 LEU 
                 A 
                 192 
                 18.674 
                 46.012 
                 −4.718 
                 1.00 
                 36.49 
                 A 
               
               
                 ATOM 
                 1428 
                 CA 
                 LEU 
                 A 
                 192 
                 19.023 
                 44.612 
                 −4.902 
                 1.00 
                 34.74 
                 A 
               
               
                 ATOM 
                 1429 
                 CB 
                 LEU 
                 A 
                 192 
                 20.024 
                 44.165 
                 −3.830 
                 1.00 
                 34.60 
                 A 
               
               
                 ATOM 
                 1430 
                 CG 
                 LEU 
                 A 
                 192 
                 20.375 
                 42.671 
                 −3.754 
                 1.00 
                 34.43 
                 A 
               
               
                 ATOM 
                 1431 
                 CD1 
                 LEU 
                 A 
                 192 
                 20.924 
                 42.176 
                 −5.084 
                 1.00 
                 33.47 
                 A 
               
               
                 ATOM 
                 1432 
                 CD2 
                 LEU 
                 A 
                 192 
                 21.394 
                 42.451 
                 −2.645 
                 1.00 
                 34.05 
                 A 
               
               
                 ATOM 
                 1433 
                 C 
                 LEU 
                 A 
                 192 
                 17.782 
                 43.727 
                 −4.858 
                 1.00 
                 35.29 
                 A 
               
               
                 ATOM 
                 1434 
                 O 
                 LEU 
                 A 
                 192 
                 17.570 
                 42.927 
                 −5.767 
                 1.00 
                 33.59 
                 A 
               
               
                 ATOM 
                 1435 
                 N 
                 VAL 
                 A 
                 193 
                 16.962 
                 43.865 
                 −3.816 
                 1.00 
                 35.74 
                 A 
               
               
                 ATOM 
                 1436 
                 CA 
                 VAL 
                 A 
                 193 
                 15.763 
                 43.039 
                 −3.717 
                 1.00 
                 38.00 
                 A 
               
               
                 ATOM 
                 1437 
                 CB 
                 VAL 
                 A 
                 193 
                 14.985 
                 43.274 
                 −2.395 
                 1.00 
                 37.63 
                 A 
               
               
                 ATOM 
                 1438 
                 CG1 
                 VAL 
                 A 
                 193 
                 15.920 
                 43.105 
                 −1.201 
                 1.00 
                 39.87 
                 A 
               
               
                 ATOM 
                 1439 
                 CG2 
                 VAL 
                 A 
                 193 
                 14.351 
                 44.634 
                 −2.389 
                 1.00 
                 37.77 
                 A 
               
               
                 ATOM 
                 1440 
                 C 
                 VAL 
                 A 
                 193 
                 14.837 
                 43.327 
                 −4.887 
                 1.00 
                 38.50 
                 A 
               
               
                 ATOM 
                 1441 
                 O 
                 VAL 
                 A 
                 193 
                 14.280 
                 42.413 
                 −5.483 
                 1.00 
                 38.16 
                 A 
               
               
                 ATOM 
                 1442 
                 N 
                 ARG 
                 A 
                 194 
                 14.677 
                 44.604 
                 −5.207 
                 1.00 
                 40.37 
                 A 
               
               
                 ATOM 
                 1443 
                 CA 
                 ARG 
                 A 
                 194 
                 13.830 
                 45.019 
                 −6.314 
                 1.00 
                 43.28 
                 A 
               
               
                 ATOM 
                 1444 
                 CB 
                 ARG 
                 A 
                 194 
                 13.899 
                 46.549 
                 −6.461 
                 1.00 
                 45.33 
                 A 
               
               
                 ATOM 
                 1445 
                 CG 
                 ARG 
                 A 
                 194 
                 12.637 
                 47.237 
                 −6.974 
                 1.00 
                 50.72 
                 A 
               
               
                 ATOM 
                 1446 
                 CD 
                 ARG 
                 A 
                 194 
                 12.881 
                 48.130 
                 −8.183 
                 1.00 
                 54.41 
                 A 
               
               
                 ATOM 
                 1447 
                 NE 
                 ARG 
                 A 
                 194 
                 11.661 
                 48.393 
                 −8.942 
                 1.00 
                 57.37 
                 A 
               
               
                 ATOM 
                 1448 
                 CZ 
                 ARG 
                 A 
                 194 
                 10.458 
                 48.505 
                 −8.389 
                 1.00 
                 59.05 
                 A 
               
               
                 ATOM 
                 1449 
                 NH1 
                 ARG 
                 A 
                 194 
                 10.317 
                 48.368 
                 −7.079 
                 1.00 
                 61.10 
                 A 
               
               
                 ATOM 
                 1450 
                 NH2 
                 ARG 
                 A 
                 194 
                 9.398 
                 48.773 
                 −9.140 
                 1.00 
                 61.23 
                 A 
               
               
                 ATOM 
                 1451 
                 C 
                 ARG 
                 A 
                 194 
                 14.283 
                 44.305 
                 −7.588 
                 1.00 
                 41.65 
                 A 
               
               
                 ATOM 
                 1452 
                 O 
                 ARG 
                 A 
                 194 
                 13.481 
                 43.683 
                 −8.280 
                 1.00 
                 41.71 
                 A 
               
               
                 ATOM 
                 1453 
                 N 
                 GLU 
                 A 
                 195 
                 15.576 
                 44.360 
                 −7.877 
                 1.00 
                 41.34 
                 A 
               
               
                 ATOM 
                 1454 
                 CA 
                 GLU 
                 A 
                 195 
                 16.094 
                 43.713 
                 −9.070 
                 1.00 
                 41.44 
                 A 
               
               
                 ATOM 
                 1455 
                 CB 
                 GLU 
                 A 
                 195 
                 17.565 
                 44.071 
                 −9.264 
                 1.00 
                 43.69 
                 A 
               
               
                 ATOM 
                 1456 
                 CG 
                 GLU 
                 A 
                 195 
                 17.882 
                 44.479 
                 −10.693 
                 1.00 
                 46.31 
                 A 
               
               
                 ATOM 
                 1457 
                 CD 
                 GLU 
                 A 
                 195 
                 19.346 
                 44.778 
                 −10.911 
                 1.00 
                 45.36 
                 A 
               
               
                 ATOM 
                 1458 
                 OE1 
                 GLU 
                 A 
                 195 
                 19.879 
                 45.680 
                 −10.233 
                 1.00 
                 45.90 
                 A 
               
               
                 ATOM 
                 1459 
                 OE2 
                 GLU 
                 A 
                 195 
                 19.960 
                 44.107 
                 −11.765 
                 1.00 
                 46.65 
                 A 
               
               
                 ATOM 
                 1460 
                 C 
                 GLU 
                 A 
                 195 
                 15.925 
                 42.189 
                 −9.052 
                 1.00 
                 41.97 
                 A 
               
               
                 ATOM 
                 1461 
                 O 
                 GLU 
                 A 
                 195 
                 15.700 
                 41.577 
                 −10.097 
                 1.00 
                 41.48 
                 A 
               
               
                 ATOM 
                 1462 
                 N 
                 LEU 
                 A 
                 196 
                 16.032 
                 41.576 
                 −7.874 
                 1.00 
                 40.20 
                 A 
               
               
                 ATOM 
                 1463 
                 CA 
                 LEU 
                 A 
                 196 
                 15.878 
                 40.126 
                 −7.762 
                 1.00 
                 38.53 
                 A 
               
               
                 ATOM 
                 1464 
                 CB 
                 LEU 
                 A 
                 196 
                 16.686 
                 39.590 
                 −6.570 
                 1.00 
                 36.27 
                 A 
               
               
                 ATOM 
                 1465 
                 CG 
                 LEU 
                 A 
                 196 
                 18.212 
                 39.731 
                 −6.649 
                 1.00 
                 37.41 
                 A 
               
               
                 ATOM 
                 1466 
                 CD1 
                 LEU 
                 A 
                 196 
                 18.852 
                 39.207 
                 −5.371 
                 1.00 
                 36.85 
                 A 
               
               
                 ATOM 
                 1467 
                 CD2 
                 LEU 
                 A 
                 196 
                 18.740 
                 38.969 
                 −7.855 
                 1.00 
                 37.56 
                 A 
               
               
                 ATOM 
                 1468 
                 C 
                 LEU 
                 A 
                 196 
                 14.399 
                 39.753 
                 −7.608 
                 1.00 
                 38.13 
                 A 
               
               
                 ATOM 
                 1469 
                 O 
                 LEU 
                 A 
                 196 
                 14.047 
                 38.576 
                 −7.509 
                 1.00 
                 38.58 
                 A 
               
               
                 ATOM 
                 1470 
                 N 
                 GLY 
                 A 
                 197 
                 13.541 
                 40.768 
                 −7.590 
                 1.00 
                 38.66 
                 A 
               
               
                 ATOM 
                 1471 
                 CA 
                 GLY 
                 A 
                 197 
                 12.112 
                 40.537 
                 −7.458 
                 1.00 
                 38.24 
                 A 
               
               
                 ATOM 
                 1472 
                 C 
                 GLY 
                 A 
                 197 
                 11.712 
                 39.891 
                 −6.149 
                 1.00 
                 38.25 
                 A 
               
               
                 ATOM 
                 1473 
                 O 
                 GLY 
                 A 
                 197 
                 10.833 
                 39.028 
                 −6.121 
                 1.00 
                 38.47 
                 A 
               
               
                 ATOM 
                 1474 
                 N 
                 LEU 
                 A 
                 198 
                 12.334 
                 40.318 
                 −5.055 
                 1.00 
                 37.09 
                 A 
               
               
                 ATOM 
                 1475 
                 CA 
                 LEU 
                 A 
                 198 
                 12.031 
                 39.733 
                 −3.756 
                 1.00 
                 36.88 
                 A 
               
               
                 ATOM 
                 1476 
                 CB 
                 LEU 
                 A 
                 198 
                 13.340 
                 39.324 
                 −3.065 
                 1.00 
                 35.42 
                 A 
               
               
                 ATOM 
                 1477 
                 CG 
                 LEU 
                 A 
                 198 
                 14.267 
                 38.410 
                 −3.874 
                 1.00 
                 36.31 
                 A 
               
               
                 ATOM 
                 1478 
                 CD1 
                 LEU 
                 A 
                 198 
                 15.612 
                 38.284 
                 −3.170 
                 1.00 
                 37.54 
                 A 
               
               
                 ATOM 
                 1479 
                 CD2 
                 LEU 
                 A 
                 198 
                 13.631 
                 37.037 
                 −4.050 
                 1.00 
                 36.41 
                 A 
               
               
                 ATOM 
                 1480 
                 C 
                 LEU 
                 A 
                 198 
                 11.211 
                 40.629 
                 −2.827 
                 1.00 
                 36.62 
                 A 
               
               
                 ATOM 
                 1481 
                 O 
                 LEU 
                 A 
                 198 
                 11.042 
                 41.829 
                 −3.064 
                 1.00 
                 33.54 
                 A 
               
               
                 ATOM 
                 1482 
                 N 
                 HIS 
                 A 
                 199 
                 10.707 
                 40.025 
                 −1.759 
                 1.00 
                 36.58 
                 A 
               
               
                 ATOM 
                 1483 
                 CA 
                 HIS 
                 A 
                 199 
                 9.918 
                 40.738 
                 −0.763 
                 1.00 
                 37.83 
                 A 
               
               
                 ATOM 
                 1484 
                 CB 
                 HIS 
                 A 
                 199 
                 9.667 
                 39.833 
                 0.440 
                 1.00 
                 39.68 
                 A 
               
               
                 ATOM 
                 1485 
                 CG 
                 HIS 
                 A 
                 199 
                 8.795 
                 40.447 
                 1.487 
                 1.00 
                 39.54 
                 A 
               
               
                 ATOM 
                 1486 
                 CD2 
                 HIS 
                 A 
                 199 
                 9.094 
                 40.986 
                 2.692 
                 1.00 
                 41.01 
                 A 
               
               
                 ATOM 
                 1487 
                 ND1 
                 HIS 
                 A 
                 199 
                 7.429 
                 40.549 
                 1.348 
                 1.00 
                 42.14 
                 A 
               
               
                 ATOM 
                 1488 
                 CE1 
                 HIS 
                 A 
                 199 
                 6.921 
                 41.121 
                 2.426 
                 1.00 
                 42.34 
                 A 
               
               
                 ATOM 
                 1489 
                 NE2 
                 HIS 
                 A 
                 199 
                 7.911 
                 41.396 
                 3.257 
                 1.00 
                 43.77 
                 A 
               
               
                 ATOM 
                 1490 
                 C 
                 HIS 
                 A 
                 199 
                 10.650 
                 41.992 
                 −0.296 
                 1.00 
                 38.39 
                 A 
               
               
                 ATOM 
                 1491 
                 O 
                 HIS 
                 A 
                 199 
                 11.845 
                 41.950 
                 0.012 
                 1.00 
                 38.41 
                 A 
               
               
                 ATOM 
                 1492 
                 N 
                 VAL 
                 A 
                 200 
                 9.928 
                 43.107 
                 −0.246 
                 1.00 
                 37.60 
                 A 
               
               
                 ATOM 
                 1493 
                 CA 
                 VAL 
                 A 
                 200 
                 10.506 
                 44.367 
                 0.188 
                 1.00 
                 37.98 
                 A 
               
               
                 ATOM 
                 1494 
                 CB 
                 VAL 
                 A 
                 200 
                 9.689 
                 45.569 
                 −0.348 
                 1.00 
                 38.84 
                 A 
               
               
                 ATOM 
                 1495 
                 CG1 
                 VAL 
                 A 
                 200 
                 10.254 
                 46.869 
                 0.201 
                 1.00 
                 39.30 
                 A 
               
               
                 ATOM 
                 1496 
                 CG2 
                 VAL 
                 A 
                 200 
                 9.709 
                 45.578 
                 −1.878 
                 1.00 
                 39.44 
                 A 
               
               
                 ATOM 
                 1497 
                 C 
                 VAL 
                 A 
                 200 
                 10.537 
                 44.447 
                 1.714 
                 1.00 
                 38.23 
                 A 
               
               
                 ATOM 
                 1498 
                 O 
                 VAL 
                 A 
                 200 
                 9.506 
                 44.353 
                 2.369 
                 1.00 
                 37.38 
                 A 
               
               
                 ATOM 
                 1499 
                 N 
                 PRO 
                 A 
                 201 
                 11.734 
                 44.604 
                 2.302 
                 1.00 
                 38.40 
                 A 
               
               
                 ATOM 
                 1500 
                 CD 
                 PRO 
                 A 
                 201 
                 13.070 
                 44.490 
                 1.687 
                 1.00 
                 36.88 
                 A 
               
               
                 ATOM 
                 1501 
                 CA 
                 PRO 
                 A 
                 201 
                 11.835 
                 44.694 
                 3.761 
                 1.00 
                 38.03 
                 A 
               
               
                 ATOM 
                 1502 
                 CB 
                 PRO 
                 A 
                 201 
                 13.306 
                 44.377 
                 4.012 
                 1.00 
                 39.05 
                 A 
               
               
                 ATOM 
                 1503 
                 CG 
                 PRO 
                 A 
                 201 
                 13.971 
                 44.949 
                 2.792 
                 1.00 
                 37.38 
                 A 
               
               
                 ATOM 
                 1504 
                 C 
                 PRO 
                 A 
                 201 
                 11.436 
                 46.091 
                 4.252 
                 1.00 
                 39.00 
                 A 
               
               
                 ATOM 
                 1505 
                 O 
                 PRO 
                 A 
                 201 
                 11.552 
                 47.068 
                 3.516 
                 1.00 
                 38.29 
                 A 
               
               
                 ATOM 
                 1506 
                 N 
                 ASN 
                 A 
                 202 
                 10.947 
                 46.191 
                 5.483 
                 1.00 
                 38.73 
                 A 
               
               
                 ATOM 
                 1507 
                 CA 
                 ASN 
                 A 
                 202 
                 10.564 
                 47.492 
                 6.007 
                 1.00 
                 38.53 
                 A 
               
               
                 ATOM 
                 1508 
                 CB 
                 ASN 
                 A 
                 202 
                 9.273 
                 47.393 
                 6.827 
                 1.00 
                 37.55 
                 A 
               
               
                 ATOM 
                 1509 
                 CG 
                 ASN 
                 A 
                 202 
                 9.323 
                 46.302 
                 7.861 
                 1.00 
                 36.97 
                 A 
               
               
                 ATOM 
                 1510 
                 OD1 
                 ASN 
                 A 
                 202 
                 10.368 
                 46.051 
                 8.463 
                 1.00 
                 34.21 
                 A 
               
               
                 ATOM 
                 1511 
                 ND2 
                 ASN 
                 A 
                 202 
                 8.183 
                 45.650 
                 8.090 
                 1.00 
                 35.55 
                 A 
               
               
                 ATOM 
                 1512 
                 C 
                 ASN 
                 A 
                 202 
                 11.687 
                 48.072 
                 6.857 
                 1.00 
                 39.15 
                 A 
               
               
                 ATOM 
                 1513 
                 O 
                 ASN 
                 A 
                 202 
                 12.798 
                 47.539 
                 6.877 
                 1.00 
                 38.30 
                 A 
               
               
                 ATOM 
                 1514 
                 N 
                 GLU 
                 A 
                 203 
                 11.392 
                 49.161 
                 7.561 
                 1.00 
                 38.76 
                 A 
               
               
                 ATOM 
                 1515 
                 CA 
                 GLU 
                 A 
                 203 
                 12.386 
                 49.835 
                 8.391 
                 1.00 
                 41.10 
                 A 
               
               
                 ATOM 
                 1516 
                 CB 
                 GLU 
                 A 
                 203 
                 11.727 
                 50.944 
                 9.212 
                 1.00 
                 44.04 
                 A 
               
               
                 ATOM 
                 1517 
                 CG 
                 GLU 
                 A 
                 203 
                 12.689 
                 52.040 
                 9.638 
                 1.00 
                 49.57 
                 A 
               
               
                 ATOM 
                 1518 
                 CD 
                 GLU 
                 A 
                 203 
                 12.048 
                 53.040 
                 10.584 
                 1.00 
                 52.76 
                 A 
               
               
                 ATOM 
                 1519 
                 OE1 
                 GLU 
                 A 
                 203 
                 10.873 
                 53.402 
                 10.362 
                 1.00 
                 54.28 
                 A 
               
               
                 ATOM 
                 1520 
                 OE2 
                 GLU 
                 A 
                 203 
                 12.722 
                 53.470 
                 11.543 
                 1.00 
                 54.88 
                 A 
               
               
                 ATOM 
                 1521 
                 C 
                 GLU 
                 A 
                 203 
                 13.128 
                 48.889 
                 9.328 
                 1.00 
                 39.75 
                 A 
               
               
                 ATOM 
                 1522 
                 O 
                 GLU 
                 A 
                 203 
                 14.353 
                 48.941 
                 9.434 
                 1.00 
                 38.21 
                 A 
               
               
                 ATOM 
                 1523 
                 N 
                 LEU 
                 A 
                 204 
                 12.383 
                 48.028 
                 10.006 
                 1.00 
                 38.08 
                 A 
               
               
                 ATOM 
                 1524 
                 CA 
                 LEU 
                 A 
                 204 
                 12.984 
                 47.081 
                 10.932 
                 1.00 
                 37.43 
                 A 
               
               
                 ATOM 
                 1525 
                 CB 
                 LEU 
                 A 
                 204 
                 11.884 
                 46.297 
                 11.649 
                 1.00 
                 39.35 
                 A 
               
               
                 ATOM 
                 1526 
                 CG 
                 LEU 
                 A 
                 204 
                 12.342 
                 45.230 
                 12.644 
                 1.00 
                 41.12 
                 A 
               
               
                 ATOM 
                 1527 
                 CD1 
                 LEU 
                 A 
                 204 
                 13.153 
                 45.882 
                 13.753 
                 1.00 
                 41.94 
                 A 
               
               
                 ATOM 
                 1528 
                 CD2 
                 LEU 
                 A 
                 204 
                 11.131 
                 44.512 
                 13.218 
                 1.00 
                 43.55 
                 A 
               
               
                 ATOM 
                 1529 
                 C 
                 LEU 
                 A 
                 204 
                 13.922 
                 46.121 
                 10.195 
                 1.00 
                 37.20 
                 A 
               
               
                 ATOM 
                 1530 
                 O 
                 LEU 
                 A 
                 204 
                 15.060 
                 45.897 
                 10.624 
                 1.00 
                 36.41 
                 A 
               
               
                 ATOM 
                 1531 
                 N 
                 GLY 
                 A 
                 205 
                 13.438 
                 45.561 
                 9.086 
                 1.00 
                 34.65 
                 A 
               
               
                 ATOM 
                 1532 
                 CA 
                 GLY 
                 A 
                 205 
                 14.240 
                 44.634 
                 8.303 
                 1.00 
                 35.07 
                 A 
               
               
                 ATOM 
                 1533 
                 C 
                 GLY 
                 A 
                 205 
                 15.512 
                 45.257 
                 7.756 
                 1.00 
                 34.00 
                 A 
               
               
                 ATOM 
                 1534 
                 O 
                 GLY 
                 A 
                 205 
                 16.577 
                 44.628 
                 7.753 
                 1.00 
                 33.65 
                 A 
               
               
                 ATOM 
                 1535 
                 N 
                 LEU 
                 A 
                 206 
                 15.408 
                 46.500 
                 7.297 
                 1.00 
                 34.66 
                 A 
               
               
                 ATOM 
                 1536 
                 CA 
                 LEU 
                 A 
                 206 
                 16.559 
                 47.201 
                 6.734 
                 1.00 
                 35.09 
                 A 
               
               
                 ATOM 
                 1537 
                 CB 
                 LEU 
                 A 
                 206 
                 16.095 
                 48.464 
                 6.012 
                 1.00 
                 36.03 
                 A 
               
               
                 ATOM 
                 1538 
                 CG 
                 LEU 
                 A 
                 206 
                 15.387 
                 48.179 
                 4.679 
                 1.00 
                 33.49 
                 A 
               
               
                 ATOM 
                 1539 
                 CD1 
                 LEU 
                 A 
                 206 
                 14.670 
                 49.426 
                 4.182 
                 1.00 
                 33.05 
                 A 
               
               
                 ATOM 
                 1540 
                 CD2 
                 LEU 
                 A 
                 206 
                 16.404 
                 47.701 
                 3.662 
                 1.00 
                 32.40 
                 A 
               
               
                 ATOM 
                 1541 
                 C 
                 LEU 
                 A 
                 206 
                 17.616 
                 47.532 
                 7.782 
                 1.00 
                 36.87 
                 A 
               
               
                 ATOM 
                 1542 
                 O 
                 LEU 
                 A 
                 206 
                 18.821 
                 47.468 
                 7.505 
                 1.00 
                 36.00 
                 A 
               
               
                 ATOM 
                 1543 
                 N 
                 LYS 
                 A 
                 207 
                 17.168 
                 47.878 
                 8.987 
                 1.00 
                 36.83 
                 A 
               
               
                 ATOM 
                 1544 
                 CA 
                 LYS 
                 A 
                 207 
                 18.091 
                 48.177 
                 10.074 
                 1.00 
                 37.90 
                 A 
               
               
                 ATOM 
                 1545 
                 CB 
                 LYS 
                 A 
                 207 
                 17.320 
                 48.600 
                 11.326 
                 1.00 
                 39.99 
                 A 
               
               
                 ATOM 
                 1546 
                 CG 
                 LYS 
                 A 
                 207 
                 18.216 
                 49.007 
                 12.495 
                 1.00 
                 45.04 
                 A 
               
               
                 ATOM 
                 1547 
                 CD 
                 LYS 
                 A 
                 207 
                 17.400 
                 49.347 
                 13.740 
                 1.00 
                 50.01 
                 A 
               
               
                 ATOM 
                 1548 
                 CE 
                 LYS 
                 A 
                 207 
                 18.268 
                 49.988 
                 14.828 
                 1.00 
                 52.95 
                 A 
               
               
                 ATOM 
                 1549 
                 NZ 
                 LYS 
                 A 
                 207 
                 19.403 
                 49.110 
                 15.254 
                 1.00 
                 55.35 
                 A 
               
               
                 ATOM 
                 1550 
                 C 
                 LYS 
                 A 
                 207 
                 18.891 
                 46.903 
                 10.362 
                 1.00 
                 37.50 
                 A 
               
               
                 ATOM 
                 1551 
                 O 
                 LYS 
                 A 
                 207 
                 20.095 
                 46.951 
                 10.611 
                 1.00 
                 38.54 
                 A 
               
               
                 ATOM 
                 1552 
                 N 
                 PHE 
                 A 
                 208 
                 18.208 
                 45.762 
                 10.312 
                 1.00 
                 35.87 
                 A 
               
               
                 ATOM 
                 1553 
                 CA 
                 PHE 
                 A 
                 208 
                 18.831 
                 44.468 
                 10.552 
                 1.00 
                 35.98 
                 A 
               
               
                 ATOM 
                 1554 
                 CB 
                 PHE 
                 A 
                 208 
                 17.746 
                 43.376 
                 10.613 
                 1.00 
                 34.44 
                 A 
               
               
                 ATOM 
                 1555 
                 CG 
                 PHE 
                 A 
                 208 
                 18.288 
                 41.966 
                 10.743 
                 1.00 
                 36.93 
                 A 
               
               
                 ATOM 
                 1556 
                 CD1 
                 PHE 
                 A 
                 208 
                 18.732 
                 41.264 
                 9.621 
                 1.00 
                 35.75 
                 A 
               
               
                 ATOM 
                 1557 
                 CD2 
                 PHE 
                 A 
                 208 
                 18.328 
                 41.332 
                 11.987 
                 1.00 
                 36.14 
                 A 
               
               
                 ATOM 
                 1558 
                 CE1 
                 PHE 
                 A 
                 208 
                 19.201 
                 39.955 
                 9.734 
                 1.00 
                 36.55 
                 A 
               
               
                 ATOM 
                 1559 
                 CE2 
                 PHE 
                 A 
                 208 
                 18.798 
                 40.020 
                 12.110 
                 1.00 
                 37.86 
                 A 
               
               
                 ATOM 
                 1560 
                 CZ 
                 PHE 
                 A 
                 208 
                 19.234 
                 39.330 
                 10.977 
                 1.00 
                 37.36 
                 A 
               
               
                 ATOM 
                 1561 
                 C 
                 PHE 
                 A 
                 208 
                 19.866 
                 44.149 
                 9.464 
                 1.00 
                 35.26 
                 A 
               
               
                 ATOM 
                 1562 
                 O 
                 PHE 
                 A 
                 208 
                 20.976 
                 43.700 
                 9.758 
                 1.00 
                 34.23 
                 A 
               
               
                 ATOM 
                 1563 
                 N 
                 CYS 
                 A 
                 209 
                 19.508 
                 44.389 
                 8.208 
                 1.00 
                 35.13 
                 A 
               
               
                 ATOM 
                 1564 
                 CA 
                 CYS 
                 A 
                 209 
                 20.424 
                 44.115 
                 7.106 
                 1.00 
                 35.37 
                 A 
               
               
                 ATOM 
                 1565 
                 CB 
                 CYS 
                 A 
                 209 
                 19.756 
                 44.438 
                 5.762 
                 1.00 
                 33.36 
                 A 
               
               
                 ATOM 
                 1566 
                 SG 
                 CYS 
                 A 
                 209 
                 18.357 
                 43.364 
                 5.322 
                 1.00 
                 33.51 
                 A 
               
               
                 ATOM 
                 1567 
                 C 
                 CYS 
                 A 
                 209 
                 21.720 
                 44.920 
                 7.244 
                 1.00 
                 35.58 
                 A 
               
               
                 ATOM 
                 1568 
                 O 
                 CYS 
                 A 
                 209 
                 22.805 
                 44.416 
                 6.961 
                 1.00 
                 36.94 
                 A 
               
               
                 ATOM 
                 1569 
                 N 
                 LYS 
                 A 
                 210 
                 21.592 
                 46.172 
                 7.669 
                 1.00 
                 35.97 
                 A 
               
               
                 ATOM 
                 1570 
                 CA 
                 LYS 
                 A 
                 210 
                 22.736 
                 47.067 
                 7.844 
                 1.00 
                 36.87 
                 A 
               
               
                 ATOM 
                 1571 
                 CB 
                 LYS 
                 A 
                 210 
                 22.239 
                 48.429 
                 8.341 
                 1.00 
                 37.10 
                 A 
               
               
                 ATOM 
                 1572 
                 CG 
                 LYS 
                 A 
                 210 
                 23.296 
                 49.330 
                 8.973 
                 1.00 
                 42.31 
                 A 
               
               
                 ATOM 
                 1573 
                 CD 
                 LYS 
                 A 
                 210 
                 22.677 
                 50.663 
                 9.409 
                 1.00 
                 44.14 
                 A 
               
               
                 ATOM 
                 1574 
                 CE 
                 LYS 
                 A 
                 210 
                 23.705 
                 51.801 
                 9.307 
                 1.00 
                 47.02 
                 A 
               
               
                 ATOM 
                 1575 
                 NZ 
                 LYS 
                 A 
                 210 
                 23.114 
                 53.178 
                 9.361 
                 1.00 
                 48.89 
                 A 
               
               
                 ATOM 
                 1576 
                 C 
                 LYS 
                 A 
                 210 
                 23.761 
                 46.497 
                 8.824 
                 1.00 
                 36.21 
                 A 
               
               
                 ATOM 
                 1577 
                 O 
                 LYS 
                 A 
                 210 
                 24.949 
                 46.793 
                 8.739 
                 1.00 
                 37.65 
                 A 
               
               
                 ATOM 
                 1578 
                 N 
                 ARG 
                 A 
                 211 
                 23.285 
                 45.669 
                 9.743 
                 1.00 
                 35.86 
                 A 
               
               
                 ATOM 
                 1579 
                 CA 
                 ARG 
                 A 
                 211 
                 24.123 
                 45.053 
                 10.765 
                 1.00 
                 36.74 
                 A 
               
               
                 ATOM 
                 1580 
                 CB 
                 ARG 
                 A 
                 211 
                 23.273 
                 44.863 
                 12.023 
                 1.00 
                 37.38 
                 A 
               
               
                 ATOM 
                 1581 
                 CG 
                 ARG 
                 A 
                 211 
                 23.965 
                 44.280 
                 13.223 
                 1.00 
                 40.40 
                 A 
               
               
                 ATOM 
                 1582 
                 CD 
                 ARG 
                 A 
                 211 
                 23.039 
                 44.393 
                 14.423 
                 1.00 
                 43.85 
                 A 
               
               
                 ATOM 
                 1583 
                 NE 
                 ARG 
                 A 
                 211 
                 23.632 
                 43.875 
                 15.651 
                 1.00 
                 46.63 
                 A 
               
               
                 ATOM 
                 1584 
                 CZ 
                 ARG 
                 A 
                 211 
                 23.104 
                 44.050 
                 16.857 
                 1.00 
                 48.65 
                 A 
               
               
                 ATOM 
                 1585 
                 NH1 
                 ARG 
                 A 
                 211 
                 21.973 
                 44.734 
                 16.992 
                 1.00 
                 49.90 
                 A 
               
               
                 ATOM 
                 1586 
                 NH2 
                 ARG 
                 A 
                 211 
                 23.697 
                 43.535 
                 17.929 
                 1.00 
                 48.82 
                 A 
               
               
                 ATOM 
                 1587 
                 C 
                 ARG 
                 A 
                 211 
                 24.735 
                 43.715 
                 10.325 
                 1.00 
                 35.55 
                 A 
               
               
                 ATOM 
                 1588 
                 O 
                 ARG 
                 A 
                 211 
                 25.559 
                 43.141 
                 11.038 
                 1.00 
                 35.83 
                 A 
               
               
                 ATOM 
                 1589 
                 N 
                 SER 
                 A 
                 212 
                 24.345 
                 43.238 
                 9.144 
                 1.00 
                 33.22 
                 A 
               
               
                 ATOM 
                 1590 
                 CA 
                 SER 
                 A 
                 212 
                 24.818 
                 41.954 
                 8.607 
                 1.00 
                 33.87 
                 A 
               
               
                 ATOM 
                 1591 
                 CB 
                 SER 
                 A 
                 212 
                 24.125 
                 41.652 
                 7.269 
                 1.00 
                 31.55 
                 A 
               
               
                 ATOM 
                 1592 
                 OG 
                 SER 
                 A 
                 212 
                 22.738 
                 41.403 
                 7.448 
                 1.00 
                 33.21 
                 A 
               
               
                 ATOM 
                 1593 
                 C 
                 SER 
                 A 
                 212 
                 26.319 
                 41.789 
                 8.401 
                 1.00 
                 32.15 
                 A 
               
               
                 ATOM 
                 1594 
                 O 
                 SER 
                 A 
                 212 
                 27.009 
                 42.714 
                 8.009 
                 1.00 
                 35.39 
                 A 
               
               
                 ATOM 
                 1595 
                 N 
                 PHE 
                 A 
                 213 
                 26.818 
                 40.585 
                 8.657 
                 1.00 
                 33.61 
                 A 
               
               
                 ATOM 
                 1596 
                 CA 
                 PHE 
                 A 
                 213 
                 28.236 
                 40.295 
                 8.447 
                 1.00 
                 34.25 
                 A 
               
               
                 ATOM 
                 1597 
                 CB 
                 PHE 
                 A 
                 213 
                 28.862 
                 39.641 
                 9.695 
                 1.00 
                 33.84 
                 A 
               
               
                 ATOM 
                 1598 
                 CG 
                 PHE 
                 A 
                 213 
                 28.500 
                 38.192 
                 9.887 
                 1.00 
                 34.55 
                 A 
               
               
                 ATOM 
                 1599 
                 CD1 
                 PHE 
                 A 
                 213 
                 29.384 
                 37.186 
                 9.509 
                 1.00 
                 34.18 
                 A 
               
               
                 ATOM 
                 1600 
                 CD2 
                 PHE 
                 A 
                 213 
                 27.291 
                 37.834 
                 10.471 
                 1.00 
                 34.89 
                 A 
               
               
                 ATOM 
                 1601 
                 CE1 
                 PHE 
                 A 
                 213 
                 29.071 
                 35.846 
                 9.717 
                 1.00 
                 37.02 
                 A 
               
               
                 ATOM 
                 1602 
                 CE2 
                 PHE 
                 A 
                 213 
                 26.965 
                 36.501 
                 10.683 
                 1.00 
                 36.59 
                 A 
               
               
                 ATOM 
                 1603 
                 CZ 
                 PHE 
                 A 
                 213 
                 27.858 
                 35.500 
                 10.306 
                 1.00 
                 35.85 
                 A 
               
               
                 ATOM 
                 1604 
                 C 
                 PHE 
                 A 
                 213 
                 28.349 
                 39.363 
                 7.242 
                 1.00 
                 33.28 
                 A 
               
               
                 ATOM 
                 1605 
                 O 
                 PHE 
                 A 
                 213 
                 29.422 
                 39.178 
                 6.685 
                 1.00 
                 32.96 
                 A 
               
               
                 ATOM 
                 1606 
                 N 
                 SER 
                 A 
                 214 
                 27.222 
                 38.786 
                 6.838 
                 1.00 
                 34.50 
                 A 
               
               
                 ATOM 
                 1607 
                 CA 
                 SER 
                 A 
                 214 
                 27.192 
                 37.874 
                 5.698 
                 1.00 
                 31.86 
                 A 
               
               
                 ATOM 
                 1608 
                 CB 
                 SER 
                 A 
                 214 
                 27.375 
                 36.434 
                 6.170 
                 1.00 
                 33.79 
                 A 
               
               
                 ATOM 
                 1609 
                 OG 
                 SER 
                 A 
                 214 
                 27.224 
                 35.521 
                 5.093 
                 1.00 
                 37.93 
                 A 
               
               
                 ATOM 
                 1610 
                 C 
                 SER 
                 A 
                 214 
                 25.860 
                 37.988 
                 4.974 
                 1.00 
                 31.77 
                 A 
               
               
                 ATOM 
                 1611 
                 O 
                 SER 
                 A 
                 214 
                 24.833 
                 38.202 
                 5.610 
                 1.00 
                 28.63 
                 A 
               
               
                 ATOM 
                 1612 
                 N 
                 VAL 
                 A 
                 215 
                 25.892 
                 37.856 
                 3.648 
                 1.00 
                 30.90 
                 A 
               
               
                 ATOM 
                 1613 
                 CA 
                 VAL 
                 A 
                 215 
                 24.685 
                 37.908 
                 2.818 
                 1.00 
                 29.86 
                 A 
               
               
                 ATOM 
                 1614 
                 CB 
                 VAL 
                 A 
                 215 
                 24.618 
                 39.187 
                 1.947 
                 1.00 
                 30.29 
                 A 
               
               
                 ATOM 
                 1615 
                 CG1 
                 VAL 
                 A 
                 215 
                 23.443 
                 39.103 
                 0.993 
                 1.00 
                 32.52 
                 A 
               
               
                 ATOM 
                 1616 
                 CG2 
                 VAL 
                 A 
                 215 
                 24.460 
                 40.412 
                 2.817 
                 1.00 
                 33.53 
                 A 
               
               
                 ATOM 
                 1617 
                 C 
                 VAL 
                 A 
                 215 
                 24.759 
                 36.725 
                 1.866 
                 1.00 
                 28.93 
                 A 
               
               
                 ATOM 
                 1618 
                 O 
                 VAL 
                 A 
                 215 
                 25.802 
                 36.513 
                 1.238 
                 1.00 
                 28.44 
                 A 
               
               
                 ATOM 
                 1619 
                 N 
                 TYR 
                 A 
                 216 
                 23.679 
                 35.952 
                 1.749 
                 1.00 
                 27.25 
                 A 
               
               
                 ATOM 
                 1620 
                 CA 
                 TYR 
                 A 
                 216 
                 23.703 
                 34.817 
                 0.824 
                 1.00 
                 27.51 
                 A 
               
               
                 ATOM 
                 1621 
                 CB 
                 TYR 
                 A 
                 216 
                 24.119 
                 33.499 
                 1.522 
                 1.00 
                 26.91 
                 A 
               
               
                 ATOM 
                 1622 
                 CG 
                 TYR 
                 A 
                 216 
                 23.361 
                 33.072 
                 2.774 
                 1.00 
                 27.45 
                 A 
               
               
                 ATOM 
                 1623 
                 CD1 
                 TYR 
                 A 
                 216 
                 22.508 
                 31.959 
                 2.769 
                 1.00 
                 26.55 
                 A 
               
               
                 ATOM 
                 1624 
                 CE1 
                 TYR 
                 A 
                 216 
                 21.913 
                 31.487 
                 3.967 
                 1.00 
                 29.46 
                 A 
               
               
                 ATOM 
                 1625 
                 CD2 
                 TYR 
                 A 
                 216 
                 23.593 
                 33.710 
                 3.992 
                 1.00 
                 30.60 
                 A 
               
               
                 ATOM 
                 1626 
                 CE2 
                 TYR 
                 A 
                 216 
                 23.016 
                 33.258 
                 5.178 
                 1.00 
                 29.33 
                 A 
               
               
                 ATOM 
                 1627 
                 CZ 
                 TYR 
                 A 
                 216 
                 22.186 
                 32.156 
                 5.165 
                 1.00 
                 29.32 
                 A 
               
               
                 ATOM 
                 1628 
                 OH 
                 TYR 
                 A 
                 216 
                 21.654 
                 31.734 
                 6.360 
                 1.00 
                 31.96 
                 A 
               
               
                 ATOM 
                 1629 
                 C 
                 TYR 
                 A 
                 216 
                 22.477 
                 34.534 
                 −0.019 
                 1.00 
                 27.43 
                 A 
               
               
                 ATOM 
                 1630 
                 O 
                 TYR 
                 A 
                 216 
                 21.383 
                 34.337 
                 0.492 
                 1.00 
                 25.60 
                 A 
               
               
                 ATOM 
                 1631 
                 N 
                 PRO 
                 A 
                 217 
                 22.658 
                 34.519 
                 −1.349 
                 1.00 
                 28.06 
                 A 
               
               
                 ATOM 
                 1632 
                 CD 
                 PRO 
                 A 
                 217 
                 23.839 
                 35.061 
                 −2.054 
                 1.00 
                 28.05 
                 A 
               
               
                 ATOM 
                 1633 
                 CA 
                 PRO 
                 A 
                 217 
                 21.576 
                 34.241 
                 −2.293 
                 1.00 
                 27.27 
                 A 
               
               
                 ATOM 
                 1634 
                 CB 
                 PRO 
                 A 
                 217 
                 22.008 
                 35.008 
                 −3.534 
                 1.00 
                 28.73 
                 A 
               
               
                 ATOM 
                 1635 
                 CG 
                 PRO 
                 A 
                 217 
                 23.512 
                 34.790 
                 −3.521 
                 1.00 
                 27.12 
                 A 
               
               
                 ATOM 
                 1636 
                 C 
                 PRO 
                 A 
                 217 
                 21.558 
                 32.736 
                 −2.550 
                 1.00 
                 27.30 
                 A 
               
               
                 ATOM 
                 1637 
                 O 
                 PRO 
                 A 
                 217 
                 22.596 
                 32.066 
                 −2.432 
                 1.00 
                 26.63 
                 A 
               
               
                 ATOM 
                 1638 
                 N 
                 THR 
                 A 
                 218 
                 20.393 
                 32.204 
                 −2.890 
                 1.00 
                 25.62 
                 A 
               
               
                 ATOM 
                 1639 
                 CA 
                 THR 
                 A 
                 218 
                 20.258 
                 30.784 
                 −3.204 
                 1.00 
                 26.97 
                 A 
               
               
                 ATOM 
                 1640 
                 CB 
                 THR 
                 A 
                 218 
                 19.073 
                 30.132 
                 −2.452 
                 1.00 
                 27.35 
                 A 
               
               
                 ATOM 
                 1641 
                 OG1 
                 THR 
                 A 
                 218 
                 19.274 
                 30.242 
                 −1.035 
                 1.00 
                 28.53 
                 A 
               
               
                 ATOM 
                 1642 
                 CG2 
                 THR 
                 A 
                 218 
                 18.962 
                 28.645 
                 −2.818 
                 1.00 
                 26.30 
                 A 
               
               
                 ATOM 
                 1643 
                 C 
                 THR 
                 A 
                 218 
                 19.991 
                 30.674 
                 −4.707 
                 1.00 
                 28.41 
                 A 
               
               
                 ATOM 
                 1644 
                 O 
                 THR 
                 A 
                 218 
                 19.115 
                 31.364 
                 −5.231 
                 1.00 
                 29.31 
                 A 
               
               
                 ATOM 
                 1645 
                 N 
                 LEU 
                 A 
                 219 
                 20.755 
                 29.823 
                 −5.388 
                 1.00 
                 29.45 
                 A 
               
               
                 ATOM 
                 1646 
                 CA 
                 LEU 
                 A 
                 219 
                 20.608 
                 29.619 
                 −6.826 
                 1.00 
                 31.35 
                 A 
               
               
                 ATOM 
                 1647 
                 CB 
                 LEU 
                 A 
                 219 
                 21.884 
                 30.066 
                 −7.562 
                 1.00 
                 32.22 
                 A 
               
               
                 ATOM 
                 1648 
                 CG 
                 LEU 
                 A 
                 219 
                 22.337 
                 31.509 
                 −7.312 
                 1.00 
                 32.16 
                 A 
               
               
                 ATOM 
                 1649 
                 CD1 
                 LEU 
                 A 
                 219 
                 23.346 
                 31.516 
                 −6.160 
                 1.00 
                 31.96 
                 A 
               
               
                 ATOM 
                 1650 
                 CD2 
                 LEU 
                 A 
                 219 
                 22.961 
                 32.105 
                 −8.584 
                 1.00 
                 29.71 
                 A 
               
               
                 ATOM 
                 1651 
                 C 
                 LEU 
                 A 
                 219 
                 20.315 
                 28.149 
                 −7.148 
                 1.00 
                 32.09 
                 A 
               
               
                 ATOM 
                 1652 
                 O 
                 LEU 
                 A 
                 219 
                 20.540 
                 27.255 
                 −6.329 
                 1.00 
                 31.23 
                 A 
               
               
                 ATOM 
                 1653 
                 N 
                 ASN 
                 A 
                 220 
                 19.812 
                 27.898 
                 −8.349 
                 1.00 
                 33.47 
                 A 
               
               
                 ATOM 
                 1654 
                 CA 
                 ASN 
                 A 
                 220 
                 19.498 
                 26.537 
                 −8.767 
                 1.00 
                 34.71 
                 A 
               
               
                 ATOM 
                 1655 
                 CB 
                 ASN 
                 A 
                 220 
                 17.990 
                 26.289 
                 −8.648 
                 1.00 
                 36.03 
                 A 
               
               
                 ATOM 
                 1656 
                 CG 
                 ASN 
                 A 
                 220 
                 17.186 
                 27.115 
                 −9.629 
                 1.00 
                 39.61 
                 A 
               
               
                 ATOM 
                 1657 
                 OD1 
                 ASN 
                 A 
                 220 
                 17.141 
                 26.809 
                 −10.819 
                 1.00 
                 40.74 
                 A 
               
               
                 ATOM 
                 1658 
                 ND2 
                 ASN 
                 A 
                 220 
                 16.558 
                 28.177 
                 −9.138 
                 1.00 
                 38.72 
                 A 
               
               
                 ATOM 
                 1659 
                 C 
                 ASN 
                 A 
                 220 
                 19.965 
                 26.294 
                 −10.205 
                 1.00 
                 35.49 
                 A 
               
               
                 ATOM 
                 1660 
                 O 
                 ASN 
                 A 
                 220 
                 20.354 
                 27.228 
                 −10.906 
                 1.00 
                 33.83 
                 A 
               
               
                 ATOM 
                 1661 
                 N 
                 TRP 
                 A 
                 221 
                 19.927 
                 25.033 
                 −10.623 
                 1.00 
                 36.36 
                 A 
               
               
                 ATOM 
                 1662 
                 CA 
                 TRP 
                 A 
                 221 
                 20.354 
                 24.615 
                 −11.956 
                 1.00 
                 38.77 
                 A 
               
               
                 ATOM 
                 1663 
                 CB 
                 TRP 
                 A 
                 221 
                 20.845 
                 23.162 
                 −11.906 
                 1.00 
                 37.13 
                 A 
               
               
                 ATOM 
                 1664 
                 CG 
                 TRP 
                 A 
                 221 
                 22.255 
                 22.982 
                 −11.415 
                 1.00 
                 35.49 
                 A 
               
               
                 ATOM 
                 1665 
                 CD2 
                 TRP 
                 A 
                 221 
                 22.679 
                 22.785 
                 −10.056 
                 1.00 
                 34.23 
                 A 
               
               
                 ATOM 
                 1666 
                 CE2 
                 TRP 
                 A 
                 221 
                 24.084 
                 22.613 
                 −10.078 
                 1.00 
                 34.61 
                 A 
               
               
                 ATOM 
                 1667 
                 CE3 
                 TRP 
                 A 
                 221 
                 22.009 
                 22.733 
                 −8.826 
                 1.00 
                 33.47 
                 A 
               
               
                 ATOM 
                 1668 
                 CD1 
                 TRP 
                 A 
                 221 
                 23.388 
                 22.932 
                 −12.180 
                 1.00 
                 36.61 
                 A 
               
               
                 ATOM 
                 1669 
                 NE1 
                 TRP 
                 A 
                 221 
                 24.490 
                 22.707 
                 −11.384 
                 1.00 
                 36.62 
                 A 
               
               
                 ATOM 
                 1670 
                 CZ2 
                 TRP 
                 A 
                 221 
                 24.832 
                 22.391 
                 −8.916 
                 1.00 
                 31.63 
                 A 
               
               
                 ATOM 
                 1671 
                 CZ3 
                 TRP 
                 A 
                 221 
                 22.752 
                 22.511 
                 −7.665 
                 1.00 
                 31.82 
                 A 
               
               
                 ATOM 
                 1672 
                 CH2 
                 TRP 
                 A 
                 221 
                 24.153 
                 22.343 
                 −7.722 
                 1.00 
                 33.18 
                 A 
               
               
                 ATOM 
                 1673 
                 C 
                 TRP 
                 A 
                 221 
                 19.261 
                 24.736 
                 −13.020 
                 1.00 
                 41.28 
                 A 
               
               
                 ATOM 
                 1674 
                 O 
                 TRP 
                 A 
                 221 
                 19.546 
                 24.642 
                 −14.214 
                 1.00 
                 41.24 
                 A 
               
               
                 ATOM 
                 1675 
                 N 
                 GLU 
                 A 
                 222 
                 18.017 
                 24.943 
                 −12.594 
                 1.00 
                 42.94 
                 A 
               
               
                 ATOM 
                 1676 
                 CA 
                 GLU 
                 A 
                 222 
                 16.905 
                 25.058 
                 −13.534 
                 1.00 
                 46.16 
                 A 
               
               
                 ATOM 
                 1677 
                 CB 
                 GLU 
                 A 
                 222 
                 15.587 
                 24.689 
                 −12.848 
                 1.00 
                 46.48 
                 A 
               
               
                 ATOM 
                 1678 
                 CG 
                 GLU 
                 A 
                 222 
                 15.530 
                 23.273 
                 −12.303 
                 1.00 
                 49.88 
                 A 
               
               
                 ATOM 
                 1679 
                 CD 
                 GLU 
                 A 
                 222 
                 15.994 
                 22.238 
                 −13.307 
                 1.00 
                 52.45 
                 A 
               
               
                 ATOM 
                 1680 
                 OE1 
                 GLU 
                 A 
                 222 
                 15.705 
                 22.404 
                 −14.512 
                 1.00 
                 55.71 
                 A 
               
               
                 ATOM 
                 1681 
                 OE2 
                 GLU 
                 A 
                 222 
                 16.640 
                 21.251 
                 −12.894 
                 1.00 
                 53.80 
                 A 
               
               
                 ATOM 
                 1682 
                 C 
                 GLU 
                 A 
                 222 
                 16.748 
                 26.425 
                 −14.203 
                 1.00 
                 46.68 
                 A 
               
               
                 ATOM 
                 1683 
                 O 
                 GLU 
                 A 
                 222 
                 16.463 
                 26.501 
                 −15.398 
                 1.00 
                 47.48 
                 A 
               
               
                 ATOM 
                 1684 
                 N 
                 THR 
                 A 
                 223 
                 16.920 
                 27.500 
                 −13.439 
                 1.00 
                 46.30 
                 A 
               
               
                 ATOM 
                 1685 
                 CA 
                 THR 
                 A 
                 223 
                 16.777 
                 28.848 
                 −13.985 
                 1.00 
                 46.13 
                 A 
               
               
                 ATOM 
                 1686 
                 CB 
                 THR 
                 A 
                 223 
                 15.407 
                 29.462 
                 −13.613 
                 1.00 
                 47.72 
                 A 
               
               
                 ATOM 
                 1687 
                 OG1 
                 THR 
                 A 
                 223 
                 15.332 
                 29.646 
                 −12.194 
                 1.00 
                 49.52 
                 A 
               
               
                 ATOM 
                 1688 
                 CG2 
                 THR 
                 A 
                 223 
                 14.270 
                 28.546 
                 −14.051 
                 1.00 
                 49.10 
                 A 
               
               
                 ATOM 
                 1689 
                 C 
                 THR 
                 A 
                 223 
                 17.867 
                 29.791 
                 −13.477 
                 1.00 
                 46.02 
                 A 
               
               
                 ATOM 
                 1690 
                 O 
                 THR 
                 A 
                 223 
                 18.643 
                 29.437 
                 −12.591 
                 1.00 
                 44.84 
                 A 
               
               
                 ATOM 
                 1691 
                 N 
                 GLY 
                 A 
                 224 
                 17.915 
                 30.994 
                 −14.044 
                 1.00 
                 44.46 
                 A 
               
               
                 ATOM 
                 1692 
                 CA 
                 GLY 
                 A 
                 224 
                 18.906 
                 31.971 
                 −13.626 
                 1.00 
                 43.49 
                 A 
               
               
                 ATOM 
                 1693 
                 C 
                 GLY 
                 A 
                 224 
                 18.341 
                 32.872 
                 −12.545 
                 1.00 
                 42.65 
                 A 
               
               
                 ATOM 
                 1694 
                 O 
                 GLY 
                 A 
                 224 
                 19.014 
                 33.777 
                 −12.057 
                 1.00 
                 43.27 
                 A 
               
               
                 ATOM 
                 1695 
                 N 
                 LYS 
                 A 
                 225 
                 17.093 
                 32.618 
                 −12.167 
                 1.00 
                 41.43 
                 A 
               
               
                 ATOM 
                 1696 
                 CA 
                 LYS 
                 A 
                 225 
                 16.426 
                 33.415 
                 −11.150 
                 1.00 
                 41.27 
                 A 
               
               
                 ATOM 
                 1697 
                 CB 
                 LYS 
                 A 
                 225 
                 14.908 
                 33.310 
                 −11.320 
                 1.00 
                 43.63 
                 A 
               
               
                 ATOM 
                 1698 
                 CG 
                 LYS 
                 A 
                 225 
                 14.111 
                 34.119 
                 −10.308 
                 1.00 
                 47.97 
                 A 
               
               
                 ATOM 
                 1699 
                 CD 
                 LYS 
                 A 
                 225 
                 12.604 
                 33.860 
                 −10.427 
                 1.00 
                 52.08 
                 A 
               
               
                 ATOM 
                 1700 
                 CE 
                 LYS 
                 A 
                 225 
                 12.243 
                 32.430 
                 −10.017 
                 1.00 
                 53.90 
                 A 
               
               
                 ATOM 
                 1701 
                 NZ 
                 LYS 
                 A 
                 225 
                 10.779 
                 32.155 
                 −10.145 
                 1.00 
                 56.20 
                 A 
               
               
                 ATOM 
                 1702 
                 C 
                 LYS 
                 A 
                 225 
                 16.816 
                 32.981 
                 −9.734 
                 1.00 
                 38.89 
                 A 
               
               
                 ATOM 
                 1703 
                 O 
                 LYS 
                 A 
                 225 
                 16.693 
                 31.812 
                 −9.376 
                 1.00 
                 36.62 
                 A 
               
               
                 ATOM 
                 1704 
                 N 
                 ILE 
                 A 
                 226 
                 17.290 
                 33.934 
                 −8.939 
                 1.00 
                 37.52 
                 A 
               
               
                 ATOM 
                 1705 
                 CA 
                 ILE 
                 A 
                 226 
                 17.676 
                 33.648 
                 −7.565 
                 1.00 
                 35.91 
                 A 
               
               
                 ATOM 
                 1706 
                 CB 
                 ILE 
                 A 
                 226 
                 18.415 
                 34.860 
                 −6.939 
                 1.00 
                 34.66 
                 A 
               
               
                 ATOM 
                 1707 
                 CG2 
                 ILE 
                 A 
                 226 
                 18.474 
                 34.725 
                 −5.412 
                 1.00 
                 32.77 
                 A 
               
               
                 ATOM 
                 1708 
                 CG1 
                 ILE 
                 A 
                 226 
                 19.831 
                 34.932 
                 −7.526 
                 1.00 
                 35.67 
                 A 
               
               
                 ATOM 
                 1709 
                 CD1 
                 ILE 
                 A 
                 226 
                 20.616 
                 36.173 
                 −7.142 
                 1.00 
                 35.94 
                 A 
               
               
                 ATOM 
                 1710 
                 C 
                 ILE 
                 A 
                 226 
                 16.419 
                 33.297 
                 −6.775 
                 1.00 
                 35.16 
                 A 
               
               
                 ATOM 
                 1711 
                 O 
                 ILE 
                 A 
                 226 
                 15.420 
                 34.010 
                 −6.838 
                 1.00 
                 36.27 
                 A 
               
               
                 ATOM 
                 1712 
                 N 
                 ASP 
                 A 
                 227 
                 16.472 
                 32.183 
                 −6.048 
                 1.00 
                 34.90 
                 A 
               
               
                 ATOM 
                 1713 
                 CA 
                 ASP 
                 A 
                 227 
                 15.337 
                 31.700 
                 −5.260 
                 1.00 
                 35.04 
                 A 
               
               
                 ATOM 
                 1714 
                 CB 
                 ASP 
                 A 
                 227 
                 15.589 
                 30.250 
                 −4.845 
                 1.00 
                 37.48 
                 A 
               
               
                 ATOM 
                 1715 
                 CG 
                 ASP 
                 A 
                 227 
                 15.768 
                 29.329 
                 −6.041 
                 1.00 
                 40.26 
                 A 
               
               
                 ATOM 
                 1716 
                 OD1 
                 ASP 
                 A 
                 227 
                 14.795 
                 29.161 
                 −6.811 
                 1.00 
                 40.93 
                 A 
               
               
                 ATOM 
                 1717 
                 OD2 
                 ASP 
                 A 
                 227 
                 16.881 
                 28.784 
                 −6.213 
                 1.00 
                 40.47 
                 A 
               
               
                 ATOM 
                 1718 
                 C 
                 ASP 
                 A 
                 227 
                 15.009 
                 32.536 
                 −4.024 
                 1.00 
                 35.52 
                 A 
               
               
                 ATOM 
                 1719 
                 O 
                 ASP 
                 A 
                 227 
                 13.836 
                 32.772 
                 −3.710 
                 1.00 
                 33.67 
                 A 
               
               
                 ATOM 
                 1720 
                 N 
                 ARG 
                 A 
                 228 
                 16.045 
                 32.966 
                 −3.311 
                 1.00 
                 33.10 
                 A 
               
               
                 ATOM 
                 1721 
                 CA 
                 ARG 
                 A 
                 228 
                 15.859 
                 33.774 
                 −2.117 
                 1.00 
                 31.73 
                 A 
               
               
                 ATOM 
                 1722 
                 CB 
                 ARG 
                 A 
                 228 
                 15.297 
                 32.910 
                 −0.974 
                 1.00 
                 31.32 
                 A 
               
               
                 ATOM 
                 1723 
                 CG 
                 ARG 
                 A 
                 228 
                 16.153 
                 31.704 
                 −0.621 
                 1.00 
                 29.51 
                 A 
               
               
                 ATOM 
                 1724 
                 CD 
                 ARG 
                 A 
                 228 
                 15.468 
                 30.793 
                 0.405 
                 1.00 
                 32.46 
                 A 
               
               
                 ATOM 
                 1725 
                 NE 
                 ARG 
                 A 
                 228 
                 16.370 
                 29.723 
                 0.826 
                 1.00 
                 31.71 
                 A 
               
               
                 ATOM 
                 1726 
                 CZ 
                 ARG 
                 A 
                 228 
                 16.486 
                 28.550 
                 0.215 
                 1.00 
                 33.70 
                 A 
               
               
                 ATOM 
                 1727 
                 NH1 
                 ARG 
                 A 
                 228 
                 15.741 
                 28.266 
                 −0.848 
                 1.00 
                 35.15 
                 A 
               
               
                 ATOM 
                 1728 
                 NH2 
                 ARG 
                 A 
                 228 
                 17.382 
                 27.675 
                 0.646 
                 1.00 
                 35.72 
                 A 
               
               
                 ATOM 
                 1729 
                 C 
                 ARG 
                 A 
                 228 
                 17.189 
                 34.408 
                 −1.723 
                 1.00 
                 30.83 
                 A 
               
               
                 ATOM 
                 1730 
                 O 
                 ARG 
                 A 
                 228 
                 18.239 
                 34.052 
                 −2.264 
                 1.00 
                 32.29 
                 A 
               
               
                 ATOM 
                 1731 
                 N 
                 LEU 
                 A 
                 229 
                 17.134 
                 35.353 
                 −0.793 
                 1.00 
                 31.06 
                 A 
               
               
                 ATOM 
                 1732 
                 CA 
                 LEU 
                 A 
                 229 
                 18.327 
                 36.066 
                 −0.330 
                 1.00 
                 29.02 
                 A 
               
               
                 ATOM 
                 1733 
                 CB 
                 LEU 
                 A 
                 229 
                 18.365 
                 37.451 
                 −0.964 
                 1.00 
                 27.74 
                 A 
               
               
                 ATOM 
                 1734 
                 CG 
                 LEU 
                 A 
                 229 
                 19.548 
                 38.344 
                 −0.595 
                 1.00 
                 26.58 
                 A 
               
               
                 ATOM 
                 1735 
                 CD1 
                 LEU 
                 A 
                 229 
                 20.822 
                 37.775 
                 −1.210 
                 1.00 
                 24.82 
                 A 
               
               
                 ATOM 
                 1736 
                 CD2 
                 LEU 
                 A 
                 229 
                 19.266 
                 39.765 
                 −1.083 
                 1.00 
                 26.37 
                 A 
               
               
                 ATOM 
                 1737 
                 C 
                 LEU 
                 A 
                 229 
                 18.293 
                 36.211 
                 1.187 
                 1.00 
                 27.73 
                 A 
               
               
                 ATOM 
                 1738 
                 O 
                 LEU 
                 A 
                 229 
                 17.310 
                 36.701 
                 1.743 
                 1.00 
                 28.78 
                 A 
               
               
                 ATOM 
                 1739 
                 N 
                 CYS 
                 A 
                 230 
                 19.367 
                 35.808 
                 1.855 
                 1.00 
                 28.33 
                 A 
               
               
                 ATOM 
                 1740 
                 CA 
                 CYS 
                 A 
                 230 
                 19.404 
                 35.894 
                 3.313 
                 1.00 
                 29.29 
                 A 
               
               
                 ATOM 
                 1741 
                 CB 
                 CYS 
                 A 
                 230 
                 19.510 
                 34.485 
                 3.909 
                 1.00 
                 29.74 
                 A 
               
               
                 ATOM 
                 1742 
                 SG 
                 CYS 
                 A 
                 230 
                 19.579 
                 34.453 
                 5.743 
                 1.00 
                 31.41 
                 A 
               
               
                 ATOM 
                 1743 
                 C 
                 CYS 
                 A 
                 230 
                 20.523 
                 36.777 
                 3.878 
                 1.00 
                 28.54 
                 A 
               
               
                 ATOM 
                 1744 
                 O 
                 CYS 
                 A 
                 230 
                 21.661 
                 36.749 
                 3.406 
                 1.00 
                 28.22 
                 A 
               
               
                 ATOM 
                 1745 
                 N 
                 PHE 
                 A 
                 231 
                 20.172 
                 37.574 
                 4.882 
                 1.00 
                 28.82 
                 A 
               
               
                 ATOM 
                 1746 
                 CA 
                 PHE 
                 A 
                 231 
                 21.114 
                 38.451 
                 5.564 
                 1.00 
                 29.99 
                 A 
               
               
                 ATOM 
                 1747 
                 CB 
                 PHE 
                 A 
                 231 
                 20.539 
                 39.867 
                 5.695 
                 1.00 
                 28.76 
                 A 
               
               
                 ATOM 
                 1748 
                 CG 
                 PHE 
                 A 
                 231 
                 20.349 
                 40.570 
                 4.371 
                 1.00 
                 31.79 
                 A 
               
               
                 ATOM 
                 1749 
                 CD1 
                 PHE 
                 A 
                 231 
                 19.261 
                 40.265 
                 3.550 
                 1.00 
                 31.62 
                 A 
               
               
                 ATOM 
                 1750 
                 CD2 
                 PHE 
                 A 
                 231 
                 21.279 
                 41.515 
                 3.930 
                 1.00 
                 31.11 
                 A 
               
               
                 ATOM 
                 1751 
                 CE1 
                 PHE 
                 A 
                 231 
                 19.103 
                 40.891 
                 2.305 
                 1.00 
                 30.59 
                 A 
               
               
                 ATOM 
                 1752 
                 CE2 
                 PHE 
                 A 
                 231 
                 21.130 
                 42.147 
                 2.683 
                 1.00 
                 31.97 
                 A 
               
               
                 ATOM 
                 1753 
                 CZ 
                 PHE 
                 A 
                 231 
                 20.038 
                 41.830 
                 1.873 
                 1.00 
                 29.20 
                 A 
               
               
                 ATOM 
                 1754 
                 C 
                 PHE 
                 A 
                 231 
                 21.339 
                 37.846 
                 6.946 
                 1.00 
                 30.94 
                 A 
               
               
                 ATOM 
                 1755 
                 O 
                 PHE 
                 A 
                 231 
                 20.380 
                 37.553 
                 7.660 
                 1.00 
                 30.10 
                 A 
               
               
                 ATOM 
                 1756 
                 N 
                 ALA 
                 A 
                 232 
                 22.600 
                 37.645 
                 7.319 
                 1.00 
                 30.85 
                 A 
               
               
                 ATOM 
                 1757 
                 CA 
                 ALA 
                 A 
                 232 
                 22.916 
                 37.051 
                 8.617 
                 1.00 
                 31.42 
                 A 
               
               
                 ATOM 
                 1758 
                 CB 
                 ALA 
                 A 
                 232 
                 23.814 
                 35.825 
                 8.420 
                 1.00 
                 30.46 
                 A 
               
               
                 ATOM 
                 1759 
                 C 
                 ALA 
                 A 
                 232 
                 23.584 
                 38.039 
                 9.580 
                 1.00 
                 30.98 
                 A 
               
               
                 ATOM 
                 1760 
                 O 
                 ALA 
                 A 
                 232 
                 24.402 
                 38.857 
                 9.175 
                 1.00 
                 31.61 
                 A 
               
               
                 ATOM 
                 1761 
                 N 
                 VAL 
                 A 
                 233 
                 23.227 
                 37.933 
                 10.856 
                 1.00 
                 32.02 
                 A 
               
               
                 ATOM 
                 1762 
                 CA 
                 VAL 
                 A 
                 233 
                 23.757 
                 38.794 
                 11.911 
                 1.00 
                 33.05 
                 A 
               
               
                 ATOM 
                 1763 
                 CB 
                 VAL 
                 A 
                 233 
                 22.651 
                 39.748 
                 12.449 
                 1.00 
                 34.08 
                 A 
               
               
                 ATOM 
                 1764 
                 CG1 
                 VAL 
                 A 
                 233 
                 23.109 
                 40.432 
                 13.753 
                 1.00 
                 35.86 
                 A 
               
               
                 ATOM 
                 1765 
                 CG2 
                 VAL 
                 A 
                 233 
                 22.325 
                 40.800 
                 11.396 
                 1.00 
                 31.79 
                 A 
               
               
                 ATOM 
                 1766 
                 C 
                 VAL 
                 A 
                 233 
                 24.271 
                 37.931 
                 13.065 
                 1.00 
                 33.07 
                 A 
               
               
                 ATOM 
                 1767 
                 O 
                 VAL 
                 A 
                 233 
                 23.580 
                 37.024 
                 13.524 
                 1.00 
                 34.33 
                 A 
               
               
                 ATOM 
                 1768 
                 N 
                 ILE 
                 A 
                 234 
                 25.485 
                 38.211 
                 13.526 
                 1.00 
                 34.06 
                 A 
               
               
                 ATOM 
                 1769 
                 CA 
                 ILE 
                 A 
                 234 
                 26.073 
                 37.449 
                 14.623 
                 1.00 
                 36.42 
                 A 
               
               
                 ATOM 
                 1770 
                 CB 
                 ILE 
                 A 
                 234 
                 27.519 
                 37.004 
                 14.260 
                 1.00 
                 34.49 
                 A 
               
               
                 ATOM 
                 1771 
                 CG2 
                 ILE 
                 A 
                 234 
                 28.420 
                 38.209 
                 14.104 
                 1.00 
                 35.27 
                 A 
               
               
                 ATOM 
                 1772 
                 CG1 
                 ILE 
                 A 
                 234 
                 28.051 
                 36.032 
                 15.316 
                 1.00 
                 35.08 
                 A 
               
               
                 ATOM 
                 1773 
                 CD1 
                 ILE 
                 A 
                 234 
                 29.314 
                 35.277 
                 14.888 
                 1.00 
                 32.27 
                 A 
               
               
                 ATOM 
                 1774 
                 C 
                 ILE 
                 A 
                 234 
                 26.053 
                 38.313 
                 15.888 
                 1.00 
                 35.82 
                 A 
               
               
                 ATOM 
                 1775 
                 O 
                 ILE 
                 A 
                 234 
                 26.473 
                 39.461 
                 15.863 
                 1.00 
                 36.21 
                 A 
               
               
                 ATOM 
                 1776 
                 N 
                 SER 
                 A 
                 235 
                 25.549 
                 37.772 
                 16.989 
                 1.00 
                 38.61 
                 A 
               
               
                 ATOM 
                 1777 
                 CA 
                 SER 
                 A 
                 235 
                 25.471 
                 38.561 
                 18.219 
                 1.00 
                 40.77 
                 A 
               
               
                 ATOM 
                 1778 
                 CB 
                 SER 
                 A 
                 235 
                 24.385 
                 39.633 
                 18.065 
                 1.00 
                 41.97 
                 A 
               
               
                 ATOM 
                 1779 
                 OG 
                 SER 
                 A 
                 235 
                 24.220 
                 40.392 
                 19.248 
                 1.00 
                 43.56 
                 A 
               
               
                 ATOM 
                 1780 
                 C 
                 SER 
                 A 
                 235 
                 25.175 
                 37.742 
                 19.467 
                 1.00 
                 42.35 
                 A 
               
               
                 ATOM 
                 1781 
                 O 
                 SER 
                 A 
                 235 
                 24.793 
                 36.574 
                 19.384 
                 1.00 
                 41.79 
                 A 
               
               
                 ATOM 
                 1782 
                 N 
                 ASN 
                 A 
                 236 
                 25.356 
                 38.372 
                 20.626 
                 1.00 
                 44.38 
                 A 
               
               
                 ATOM 
                 1783 
                 CA 
                 ASN 
                 A 
                 236 
                 25.081 
                 37.731 
                 21.906 
                 1.00 
                 45.74 
                 A 
               
               
                 ATOM 
                 1784 
                 CB 
                 ASN 
                 A 
                 236 
                 26.115 
                 38.151 
                 22.958 
                 1.00 
                 47.60 
                 A 
               
               
                 ATOM 
                 1785 
                 CG 
                 ASN 
                 A 
                 236 
                 27.488 
                 37.569 
                 22.694 
                 1.00 
                 48.75 
                 A 
               
               
                 ATOM 
                 1786 
                 OD1 
                 ASN 
                 A 
                 236 
                 27.661 
                 36.350 
                 22.680 
                 1.00 
                 51.03 
                 A 
               
               
                 ATOM 
                 1787 
                 ND2 
                 ASN 
                 A 
                 236 
                 28.472 
                 38.436 
                 22.479 
                 1.00 
                 49.64 
                 A 
               
               
                 ATOM 
                 1788 
                 C 
                 ASN 
                 A 
                 236 
                 23.692 
                 38.172 
                 22.350 
                 1.00 
                 46.12 
                 A 
               
               
                 ATOM 
                 1789 
                 O 
                 ASN 
                 A 
                 236 
                 23.088 
                 37.568 
                 23.236 
                 1.00 
                 47.30 
                 A 
               
               
                 ATOM 
                 1790 
                 N 
                 ASP 
                 A 
                 237 
                 23.201 
                 39.230 
                 21.713 
                 1.00 
                 46.49 
                 A 
               
               
                 ATOM 
                 1791 
                 CA 
                 ASP 
                 A 
                 237 
                 21.889 
                 39.806 
                 21.993 
                 1.00 
                 46.83 
                 A 
               
               
                 ATOM 
                 1792 
                 CB 
                 ASP 
                 A 
                 237 
                 21.746 
                 41.105 
                 21.198 
                 1.00 
                 47.75 
                 A 
               
               
                 ATOM 
                 1793 
                 CG 
                 ASP 
                 A 
                 237 
                 20.662 
                 42.013 
                 21.736 
                 1.00 
                 47.79 
                 A 
               
               
                 ATOM 
                 1794 
                 OD1 
                 ASP 
                 A 
                 237 
                 19.513 
                 41.560 
                 21.923 
                 1.00 
                 47.65 
                 A 
               
               
                 ATOM 
                 1795 
                 OD2 
                 ASP 
                 A 
                 237 
                 20.970 
                 43.198 
                 21.957 
                 1.00 
                 48.75 
                 A 
               
               
                 ATOM 
                 1796 
                 C 
                 ASP 
                 A 
                 237 
                 20.786 
                 38.825 
                 21.591 
                 1.00 
                 47.10 
                 A 
               
               
                 ATOM 
                 1797 
                 O 
                 ASP 
                 A 
                 237 
                 20.665 
                 38.463 
                 20.422 
                 1.00 
                 47.73 
                 A 
               
               
                 ATOM 
                 1798 
                 N 
                 PRO 
                 A 
                 238 
                 19.965 
                 38.383 
                 22.557 
                 1.00 
                 46.57 
                 A 
               
               
                 ATOM 
                 1799 
                 CD 
                 PRO 
                 A 
                 238 
                 20.211 
                 38.488 
                 24.009 
                 1.00 
                 47.58 
                 A 
               
               
                 ATOM 
                 1800 
                 CA 
                 PRO 
                 A 
                 238 
                 18.878 
                 37.439 
                 22.281 
                 1.00 
                 45.52 
                 A 
               
               
                 ATOM 
                 1801 
                 CB 
                 PRO 
                 A 
                 238 
                 18.796 
                 36.641 
                 23.576 
                 1.00 
                 47.17 
                 A 
               
               
                 ATOM 
                 1802 
                 CG 
                 PRO 
                 A 
                 238 
                 19.055 
                 37.703 
                 24.605 
                 1.00 
                 47.42 
                 A 
               
               
                 ATOM 
                 1803 
                 C 
                 PRO 
                 A 
                 238 
                 17.530 
                 38.049 
                 21.893 
                 1.00 
                 45.24 
                 A 
               
               
                 ATOM 
                 1804 
                 O 
                 PRO 
                 A 
                 238 
                 16.509 
                 37.361 
                 21.900 
                 1.00 
                 45.57 
                 A 
               
               
                 ATOM 
                 1805 
                 N 
                 THR 
                 A 
                 239 
                 17.521 
                 39.331 
                 21.545 
                 1.00 
                 45.54 
                 A 
               
               
                 ATOM 
                 1806 
                 CA 
                 THR 
                 A 
                 239 
                 16.280 
                 40.001 
                 21.153 
                 1.00 
                 45.56 
                 A 
               
               
                 ATOM 
                 1807 
                 CB 
                 THR 
                 A 
                 239 
                 15.920 
                 41.117 
                 22.162 
                 1.00 
                 45.90 
                 A 
               
               
                 ATOM 
                 1808 
                 OG1 
                 THR 
                 A 
                 239 
                 16.886 
                 42.173 
                 22.067 
                 1.00 
                 46.13 
                 A 
               
               
                 ATOM 
                 1809 
                 CG2 
                 THR 
                 A 
                 239 
                 15.921 
                 40.574 
                 23.588 
                 1.00 
                 46.71 
                 A 
               
               
                 ATOM 
                 1810 
                 C 
                 THR 
                 A 
                 239 
                 16.372 
                 40.642 
                 19.761 
                 1.00 
                 44.94 
                 A 
               
               
                 ATOM 
                 1811 
                 O 
                 THR 
                 A 
                 239 
                 15.657 
                 41.600 
                 19.473 
                 1.00 
                 44.48 
                 A 
               
               
                 ATOM 
                 1812 
                 N 
                 LEU 
                 A 
                 240 
                 17.226 
                 40.106 
                 18.892 
                 1.00 
                 45.21 
                 A 
               
               
                 ATOM 
                 1813 
                 CA 
                 LEU 
                 A 
                 240 
                 17.412 
                 40.689 
                 17.563 
                 1.00 
                 44.68 
                 A 
               
               
                 ATOM 
                 1814 
                 CB 
                 LEU 
                 A 
                 240 
                 18.887 
                 40.606 
                 17.167 
                 1.00 
                 44.71 
                 A 
               
               
                 ATOM 
                 1815 
                 CG 
                 LEU 
                 A 
                 240 
                 19.890 
                 41.396 
                 18.008 
                 1.00 
                 45.86 
                 A 
               
               
                 ATOM 
                 1816 
                 CD1 
                 LEU 
                 A 
                 240 
                 21.292 
                 41.136 
                 17.488 
                 1.00 
                 46.25 
                 A 
               
               
                 ATOM 
                 1817 
                 CD2 
                 LEU 
                 A 
                 240 
                 19.566 
                 42.885 
                 17.952 
                 1.00 
                 45.57 
                 A 
               
               
                 ATOM 
                 1818 
                 C 
                 LEU 
                 A 
                 240 
                 16.573 
                 40.190 
                 16.387 
                 1.00 
                 44.93 
                 A 
               
               
                 ATOM 
                 1819 
                 O 
                 LEU 
                 A 
                 240 
                 16.801 
                 40.625 
                 15.258 
                 1.00 
                 44.99 
                 A 
               
               
                 ATOM 
                 1820 
                 N 
                 VAL 
                 A 
                 241 
                 15.614 
                 39.298 
                 16.617 
                 1.00 
                 44.69 
                 A 
               
               
                 ATOM 
                 1821 
                 CA 
                 VAL 
                 A 
                 241 
                 14.809 
                 38.806 
                 15.504 
                 1.00 
                 44.20 
                 A 
               
               
                 ATOM 
                 1822 
                 CB 
                 VAL 
                 A 
                 241 
                 13.775 
                 37.744 
                 15.976 
                 1.00 
                 44.62 
                 A 
               
               
                 ATOM 
                 1823 
                 CG1 
                 VAL 
                 A 
                 241 
                 12.661 
                 38.393 
                 16.781 
                 1.00 
                 45.74 
                 A 
               
               
                 ATOM 
                 1824 
                 CG2 
                 VAL 
                 A 
                 241 
                 13.219 
                 36.998 
                 14.778 
                 1.00 
                 43.96 
                 A 
               
               
                 ATOM 
                 1825 
                 C 
                 VAL 
                 A 
                 241 
                 14.114 
                 40.004 
                 14.839 
                 1.00 
                 44.51 
                 A 
               
               
                 ATOM 
                 1826 
                 O 
                 VAL 
                 A 
                 241 
                 13.424 
                 40.780 
                 15.498 
                 1.00 
                 44.10 
                 A 
               
               
                 ATOM 
                 1827 
                 N 
                 PRO 
                 A 
                 242 
                 14.302 
                 40.175 
                 13.520 
                 1.00 
                 42.66 
                 A 
               
               
                 ATOM 
                 1828 
                 CD 
                 PRO 
                 A 
                 242 
                 15.176 
                 39.385 
                 12.635 
                 1.00 
                 41.53 
                 A 
               
               
                 ATOM 
                 1829 
                 CA 
                 PRO 
                 A 
                 242 
                 13.696 
                 41.293 
                 12.787 
                 1.00 
                 41.75 
                 A 
               
               
                 ATOM 
                 1830 
                 CB 
                 PRO 
                 A 
                 242 
                 14.584 
                 41.403 
                 11.557 
                 1.00 
                 41.67 
                 A 
               
               
                 ATOM 
                 1831 
                 CG 
                 PRO 
                 A 
                 242 
                 14.865 
                 39.966 
                 11.257 
                 1.00 
                 41.45 
                 A 
               
               
                 ATOM 
                 1832 
                 C 
                 PRO 
                 A 
                 242 
                 12.229 
                 41.111 
                 12.419 
                 1.00 
                 42.06 
                 A 
               
               
                 ATOM 
                 1833 
                 O 
                 PRO 
                 A 
                 242 
                 11.849 
                 41.287 
                 11.265 
                 1.00 
                 39.87 
                 A 
               
               
                 ATOM 
                 1834 
                 N 
                 SER 
                 A 
                 243 
                 11.409 
                 40.772 
                 13.407 
                 1.00 
                 42.14 
                 A 
               
               
                 ATOM 
                 1835 
                 CA 
                 SER 
                 A 
                 243 
                 9.987 
                 40.566 
                 13.181 
                 1.00 
                 43.50 
                 A 
               
               
                 ATOM 
                 1836 
                 CB 
                 SER 
                 A 
                 243 
                 9.629 
                 39.096 
                 13.421 
                 1.00 
                 42.47 
                 A 
               
               
                 ATOM 
                 1837 
                 OG 
                 SER 
                 A 
                 243 
                 8.237 
                 38.875 
                 13.288 
                 1.00 
                 41.75 
                 A 
               
               
                 ATOM 
                 1838 
                 C 
                 SER 
                 A 
                 243 
                 9.170 
                 41.460 
                 14.109 
                 1.00 
                 45.15 
                 A 
               
               
                 ATOM 
                 1839 
                 O 
                 SER 
                 A 
                 243 
                 9.611 
                 41.799 
                 15.208 
                 1.00 
                 42.95 
                 A 
               
               
                 ATOM 
                 1840 
                 N 
                 SER 
                 A 
                 244 
                 7.981 
                 41.844 
                 13.657 
                 1.00 
                 47.40 
                 A 
               
               
                 ATOM 
                 1841 
                 CA 
                 SER 
                 A 
                 244 
                 7.102 
                 42.697 
                 14.450 
                 1.00 
                 49.90 
                 A 
               
               
                 ATOM 
                 1842 
                 CB 
                 SER 
                 A 
                 244 
                 6.520 
                 43.813 
                 13.579 
                 1.00 
                 49.67 
                 A 
               
               
                 ATOM 
                 1843 
                 OG 
                 SER 
                 A 
                 244 
                 5.769 
                 43.277 
                 12.500 
                 1.00 
                 48.66 
                 A 
               
               
                 ATOM 
                 1844 
                 C 
                 SER 
                 A 
                 244 
                 5.971 
                 41.865 
                 15.033 
                 1.00 
                 51.74 
                 A 
               
               
                 ATOM 
                 1845 
                 O 
                 SER 
                 A 
                 244 
                 5.122 
                 42.375 
                 15.765 
                 1.00 
                 53.20 
                 A 
               
               
                 ATOM 
                 1846 
                 N 
                 ASP 
                 A 
                 245 
                 5.964 
                 40.580 
                 14.693 
                 1.00 
                 53.53 
                 A 
               
               
                 ATOM 
                 1847 
                 CA 
                 ASP 
                 A 
                 245 
                 4.946 
                 39.653 
                 15.171 
                 1.00 
                 55.50 
                 A 
               
               
                 ATOM 
                 1848 
                 CB 
                 ASP 
                 A 
                 245 
                 4.823 
                 38.470 
                 14.207 
                 1.00 
                 56.42 
                 A 
               
               
                 ATOM 
                 1849 
                 CG 
                 ASP 
                 A 
                 245 
                 3.803 
                 37.450 
                 14.665 
                 1.00 
                 57.31 
                 A 
               
               
                 ATOM 
                 1850 
                 OD1 
                 ASP 
                 A 
                 245 
                 2.631 
                 37.830 
                 14.862 
                 1.00 
                 59.97 
                 A 
               
               
                 ATOM 
                 1851 
                 OD2 
                 ASP 
                 A 
                 245 
                 4.170 
                 36.269 
                 14.827 
                 1.00 
                 57.82 
                 A 
               
               
                 ATOM 
                 1852 
                 C 
                 ASP 
                 A 
                 245 
                 5.283 
                 39.149 
                 16.571 
                 1.00 
                 55.95 
                 A 
               
               
                 ATOM 
                 1853 
                 O 
                 ASP 
                 A 
                 245 
                 6.250 
                 38.411 
                 16.758 
                 1.00 
                 55.39 
                 A 
               
               
                 ATOM 
                 1854 
                 N 
                 GLU 
                 A 
                 246 
                 4.479 
                 39.562 
                 17.549 
                 1.00 
                 57.53 
                 A 
               
               
                 ATOM 
                 1855 
                 CA 
                 GLU 
                 A 
                 246 
                 4.673 
                 39.162 
                 18.941 
                 1.00 
                 58.27 
                 A 
               
               
                 ATOM 
                 1856 
                 CB 
                 GLU 
                 A 
                 246 
                 3.443 
                 39.537 
                 19.776 
                 1.00 
                 60.44 
                 A 
               
               
                 ATOM 
                 1857 
                 CG 
                 GLU 
                 A 
                 246 
                 3.265 
                 41.033 
                 19.999 
                 1.00 
                 63.33 
                 A 
               
               
                 ATOM 
                 1858 
                 CD 
                 GLU 
                 A 
                 246 
                 2.015 
                 41.367 
                 20.806 
                 1.00 
                 65.68 
                 A 
               
               
                 ATOM 
                 1859 
                 OE1 
                 GLU 
                 A 
                 246 
                 0.893 
                 41.126 
                 20.306 
                 1.00 
                 65.94 
                 A 
               
               
                 ATOM 
                 1860 
                 OE2 
                 GLU 
                 A 
                 246 
                 2.156 
                 41.868 
                 21.944 
                 1.00 
                 67.06 
                 A 
               
               
                 ATOM 
                 1861 
                 C 
                 GLU 
                 A 
                 246 
                 4.949 
                 37.666 
                 19.072 
                 1.00 
                 57.75 
                 A 
               
               
                 ATOM 
                 1862 
                 O 
                 GLU 
                 A 
                 246 
                 5.645 
                 37.236 
                 19.989 
                 1.00 
                 57.64 
                 A 
               
               
                 ATOM 
                 1863 
                 N 
                 GLY 
                 A 
                 247 
                 4.400 
                 36.876 
                 18.155 
                 1.00 
                 57.63 
                 A 
               
               
                 ATOM 
                 1864 
                 CA 
                 GLY 
                 A 
                 247 
                 4.625 
                 35.440 
                 18.196 
                 1.00 
                 57.31 
                 A 
               
               
                 ATOM 
                 1865 
                 C 
                 GLY 
                 A 
                 247 
                 6.097 
                 35.098 
                 18.032 
                 1.00 
                 56.48 
                 A 
               
               
                 ATOM 
                 1866 
                 O 
                 GLY 
                 A 
                 247 
                 6.657 
                 34.325 
                 18.814 
                 1.00 
                 56.42 
                 A 
               
               
                 ATOM 
                 1867 
                 N 
                 ASP 
                 A 
                 248 
                 6.731 
                 35.677 
                 17.016 
                 1.00 
                 55.47 
                 A 
               
               
                 ATOM 
                 1868 
                 CA 
                 ASP 
                 A 
                 248 
                 8.146 
                 35.430 
                 16.760 
                 1.00 
                 54.34 
                 A 
               
               
                 ATOM 
                 1869 
                 CB 
                 ASP 
                 A 
                 248 
                 8.576 
                 36.044 
                 15.426 
                 1.00 
                 52.59 
                 A 
               
               
                 ATOM 
                 1870 
                 CG 
                 ASP 
                 A 
                 248 
                 7.876 
                 35.427 
                 14.246 
                 1.00 
                 51.48 
                 A 
               
               
                 ATOM 
                 1871 
                 OD1 
                 ASP 
                 A 
                 248 
                 7.731 
                 34.188 
                 14.225 
                 1.00 
                 51.37 
                 A 
               
               
                 ATOM 
                 1872 
                 OD2 
                 ASP 
                 A 
                 248 
                 7.485 
                 36.180 
                 13.328 
                 1.00 
                 51.45 
                 A 
               
               
                 ATOM 
                 1873 
                 C 
                 ASP 
                 A 
                 248 
                 9.018 
                 36.022 
                 17.855 
                 1.00 
                 54.31 
                 A 
               
               
                 ATOM 
                 1874 
                 O 
                 ASP 
                 A 
                 248 
                 9.865 
                 35.339 
                 18.428 
                 1.00 
                 54.40 
                 A 
               
               
                 ATOM 
                 1875 
                 N 
                 ILE 
                 A 
                 249 
                 8.813 
                 37.306 
                 18.123 
                 1.00 
                 55.01 
                 A 
               
               
                 ATOM 
                 1876 
                 CA 
                 ILE 
                 A 
                 249 
                 9.578 
                 38.028 
                 19.131 
                 1.00 
                 55.17 
                 A 
               
               
                 ATOM 
                 1877 
                 CB 
                 ILE 
                 A 
                 249 
                 8.906 
                 39.378 
                 19.454 
                 1.00 
                 55.80 
                 A 
               
               
                 ATOM 
                 1878 
                 CG2 
                 ILE 
                 A 
                 249 
                 9.831 
                 40.234 
                 20.307 
                 1.00 
                 55.95 
                 A 
               
               
                 ATOM 
                 1879 
                 CG1 
                 ILE 
                 A 
                 249 
                 8.575 
                 40.109 
                 18.151 
                 1.00 
                 56.11 
                 A 
               
               
                 ATOM 
                 1880 
                 CD1 
                 ILE 
                 A 
                 249 
                 7.749 
                 41.366 
                 18.338 
                 1.00 
                 57.14 
                 A 
               
               
                 ATOM 
                 1881 
                 C 
                 ILE 
                 A 
                 249 
                 9.682 
                 37.201 
                 20.404 
                 1.00 
                 55.78 
                 A 
               
               
                 ATOM 
                 1882 
                 O 
                 ILE 
                 A 
                 249 
                 10.697 
                 37.234 
                 21.102 
                 1.00 
                 55.95 
                 A 
               
               
                 ATOM 
                 1883 
                 N 
                 GLU 
                 A 
                 250 
                 8.626 
                 36.450 
                 20.690 
                 1.00 
                 55.60 
                 A 
               
               
                 ATOM 
                 1884 
                 CA 
                 GLU 
                 A 
                 250 
                 8.577 
                 35.611 
                 21.875 
                 1.00 
                 55.90 
                 A 
               
               
                 ATOM 
                 1885 
                 CB 
                 GLU 
                 A 
                 250 
                 7.126 
                 35.267 
                 22.214 
                 1.00 
                 57.52 
                 A 
               
               
                 ATOM 
                 1886 
                 CG 
                 GLU 
                 A 
                 250 
                 6.987 
                 34.358 
                 23.416 
                 1.00 
                 60.65 
                 A 
               
               
                 ATOM 
                 1887 
                 CD 
                 GLU 
                 A 
                 250 
                 7.686 
                 34.919 
                 24.634 
                 1.00 
                 62.45 
                 A 
               
               
                 ATOM 
                 1888 
                 OE1 
                 GLU 
                 A 
                 250 
                 7.352 
                 36.054 
                 25.038 
                 1.00 
                 63.26 
                 A 
               
               
                 ATOM 
                 1889 
                 OE2 
                 GLU 
                 A 
                 250 
                 8.572 
                 34.229 
                 25.182 
                 1.00 
                 63.88 
                 A 
               
               
                 ATOM 
                 1890 
                 C 
                 GLU 
                 A 
                 250 
                 9.368 
                 34.323 
                 21.698 
                 1.00 
                 54.72 
                 A 
               
               
                 ATOM 
                 1891 
                 O 
                 GLU 
                 A 
                 250 
                 10.349 
                 34.080 
                 22.405 
                 1.00 
                 53.29 
                 A 
               
               
                 ATOM 
                 1892 
                 N 
                 LYS 
                 A 
                 251 
                 8.928 
                 33.506 
                 20.745 
                 1.00 
                 54.03 
                 A 
               
               
                 ATOM 
                 1893 
                 CA 
                 LYS 
                 A 
                 251 
                 9.555 
                 32.221 
                 20.461 
                 1.00 
                 53.48 
                 A 
               
               
                 ATOM 
                 1894 
                 CB 
                 LYS 
                 A 
                 251 
                 8.880 
                 31.573 
                 19.251 
                 1.00 
                 54.33 
                 A 
               
               
                 ATOM 
                 1895 
                 CG 
                 LYS 
                 A 
                 251 
                 9.268 
                 30.122 
                 19.033 
                 1.00 
                 55.38 
                 A 
               
               
                 ATOM 
                 1896 
                 CD 
                 LYS 
                 A 
                 251 
                 8.414 
                 29.489 
                 17.953 
                 1.00 
                 57.26 
                 A 
               
               
                 ATOM 
                 1897 
                 CE 
                 LYS 
                 A 
                 251 
                 8.646 
                 27.989 
                 17.873 
                 1.00 
                 58.08 
                 A 
               
               
                 ATOM 
                 1898 
                 NZ 
                 LYS 
                 A 
                 251 
                 7.790 
                 27.348 
                 16.833 
                 1.00 
                 58.69 
                 A 
               
               
                 ATOM 
                 1899 
                 C 
                 LYS 
                 A 
                 251 
                 11.067 
                 32.292 
                 20.235 
                 1.00 
                 52.15 
                 A 
               
               
                 ATOM 
                 1900 
                 O 
                 LYS 
                 A 
                 251 
                 11.812 
                 31.441 
                 20.731 
                 1.00 
                 51.69 
                 A 
               
               
                 ATOM 
                 1901 
                 N 
                 PHE 
                 A 
                 252 
                 11.523 
                 33.300 
                 19.497 
                 1.00 
                 50.10 
                 A 
               
               
                 ATOM 
                 1902 
                 CA 
                 PHE 
                 A 
                 252 
                 12.951 
                 33.434 
                 19.232 
                 1.00 
                 48.89 
                 A 
               
               
                 ATOM 
                 1903 
                 CB 
                 PHE 
                 A 
                 252 
                 13.197 
                 34.435 
                 18.099 
                 1.00 
                 45.87 
                 A 
               
               
                 ATOM 
                 1904 
                 CG 
                 PHE 
                 A 
                 252 
                 12.915 
                 33.875 
                 16.733 
                 1.00 
                 43.99 
                 A 
               
               
                 ATOM 
                 1905 
                 CD1 
                 PHE 
                 A 
                 252 
                 11.616 
                 33.564 
                 16.349 
                 1.00 
                 41.90 
                 A 
               
               
                 ATOM 
                 1906 
                 CD2 
                 PHE 
                 A 
                 252 
                 13.957 
                 33.623 
                 15.841 
                 1.00 
                 42.23 
                 A 
               
               
                 ATOM 
                 1907 
                 CE1 
                 PHE 
                 A 
                 252 
                 11.356 
                 33.009 
                 15.097 
                 1.00 
                 41.89 
                 A 
               
               
                 ATOM 
                 1908 
                 CE2 
                 PHE 
                 A 
                 252 
                 13.708 
                 33.069 
                 14.587 
                 1.00 
                 41.06 
                 A 
               
               
                 ATOM 
                 1909 
                 CZ 
                 PHE 
                 A 
                 252 
                 12.409 
                 32.762 
                 14.214 
                 1.00 
                 41.75 
                 A 
               
               
                 ATOM 
                 1910 
                 C 
                 PHE 
                 A 
                 252 
                 13.744 
                 33.837 
                 20.466 
                 1.00 
                 48.68 
                 A 
               
               
                 ATOM 
                 1911 
                 O 
                 PHE 
                 A 
                 252 
                 14.855 
                 33.355 
                 20.680 
                 1.00 
                 49.06 
                 A 
               
               
                 ATOM 
                 1912 
                 N 
                 HIS 
                 A 
                 253 
                 13.181 
                 34.722 
                 21.279 
                 1.00 
                 48.76 
                 A 
               
               
                 ATOM 
                 1913 
                 CA 
                 HIS 
                 A 
                 253 
                 13.870 
                 35.145 
                 22.490 
                 1.00 
                 49.30 
                 A 
               
               
                 ATOM 
                 1914 
                 CB 
                 HIS 
                 A 
                 253 
                 13.079 
                 36.237 
                 23.215 
                 1.00 
                 49.55 
                 A 
               
               
                 ATOM 
                 1915 
                 CG 
                 HIS 
                 A 
                 253 
                 13.576 
                 36.513 
                 24.599 
                 1.00 
                 50.62 
                 A 
               
               
                 ATOM 
                 1916 
                 CD2 
                 HIS 
                 A 
                 253 
                 14.564 
                 37.324 
                 25.045 
                 1.00 
                 50.93 
                 A 
               
               
                 ATOM 
                 1917 
                 ND1 
                 HIS 
                 A 
                 253 
                 13.084 
                 35.861 
                 25.709 
                 1.00 
                 51.60 
                 A 
               
               
                 ATOM 
                 1918 
                 CE1 
                 HIS 
                 A 
                 253 
                 13.749 
                 36.258 
                 26.779 
                 1.00 
                 52.53 
                 A 
               
               
                 ATOM 
                 1919 
                 NE2 
                 HIS 
                 A 
                 253 
                 14.653 
                 37.144 
                 26.404 
                 1.00 
                 52.16 
                 A 
               
               
                 ATOM 
                 1920 
                 C 
                 HIS 
                 A 
                 253 
                 14.033 
                 33.937 
                 23.403 
                 1.00 
                 48.72 
                 A 
               
               
                 ATOM 
                 1921 
                 O 
                 HIS 
                 A 
                 253 
                 15.067 
                 33.765 
                 24.052 
                 1.00 
                 47.39 
                 A 
               
               
                 ATOM 
                 1922 
                 N 
                 ASN 
                 A 
                 254 
                 12.995 
                 33.108 
                 23.437 
                 1.00 
                 48.76 
                 A 
               
               
                 ATOM 
                 1923 
                 CA 
                 ASN 
                 A 
                 254 
                 12.986 
                 31.900 
                 24.246 
                 1.00 
                 50.80 
                 A 
               
               
                 ATOM 
                 1924 
                 CB 
                 ASN 
                 A 
                 254 
                 11.657 
                 31.165 
                 24.060 
                 1.00 
                 52.29 
                 A 
               
               
                 ATOM 
                 1925 
                 CG 
                 ASN 
                 A 
                 254 
                 11.531 
                 29.948 
                 24.955 
                 1.00 
                 55.40 
                 A 
               
               
                 ATOM 
                 1926 
                 OD1 
                 ASN 
                 A 
                 254 
                 11.461 
                 30.066 
                 26.181 
                 1.00 
                 57.62 
                 A 
               
               
                 ATOM 
                 1927 
                 ND2 
                 ASN 
                 A 
                 254 
                 11.503 
                 28.758 
                 24.345 
                 1.00 
                 55.81 
                 A 
               
               
                 ATOM 
                 1928 
                 C 
                 ASN 
                 A 
                 254 
                 14.137 
                 30.998 
                 23.817 
                 1.00 
                 50.81 
                 A 
               
               
                 ATOM 
                 1929 
                 O 
                 ASN 
                 A 
                 254 
                 15.008 
                 30.646 
                 24.623 
                 1.00 
                 50.82 
                 A 
               
               
                 ATOM 
                 1930 
                 N 
                 TYR 
                 A 
                 255 
                 14.138 
                 30.637 
                 22.537 
                 1.00 
                 50.64 
                 A 
               
               
                 ATOM 
                 1931 
                 CA 
                 TYR 
                 A 
                 255 
                 15.171 
                 29.773 
                 21.977 
                 1.00 
                 49.68 
                 A 
               
               
                 ATOM 
                 1932 
                 CB 
                 TYR 
                 A 
                 255 
                 14.963 
                 29.601 
                 20.471 
                 1.00 
                 50.04 
                 A 
               
               
                 ATOM 
                 1933 
                 CG 
                 TYR 
                 A 
                 255 
                 15.905 
                 28.596 
                 19.842 
                 1.00 
                 50.36 
                 A 
               
               
                 ATOM 
                 1934 
                 CD1 
                 TYR 
                 A 
                 255 
                 15.670 
                 27.228 
                 19.959 
                 1.00 
                 49.51 
                 A 
               
               
                 ATOM 
                 1935 
                 CE1 
                 TYR 
                 A 
                 255 
                 16.550 
                 26.296 
                 19.415 
                 1.00 
                 49.32 
                 A 
               
               
                 ATOM 
                 1936 
                 CD2 
                 TYR 
                 A 
                 255 
                 17.047 
                 29.012 
                 19.162 
                 1.00 
                 49.32 
                 A 
               
               
                 ATOM 
                 1937 
                 CE2 
                 TYR 
                 A 
                 255 
                 17.936 
                 28.088 
                 18.614 
                 1.00 
                 49.59 
                 A 
               
               
                 ATOM 
                 1938 
                 CZ 
                 TYR 
                 A 
                 255 
                 17.680 
                 26.732 
                 18.746 
                 1.00 
                 48.94 
                 A 
               
               
                 ATOM 
                 1939 
                 OH 
                 TYR 
                 A 
                 255 
                 18.557 
                 25.811 
                 18.223 
                 1.00 
                 48.35 
                 A 
               
               
                 ATOM 
                 1940 
                 C 
                 TYR 
                 A 
                 255 
                 16.545 
                 30.365 
                 22.217 
                 1.00 
                 48.91 
                 A 
               
               
                 ATOM 
                 1941 
                 O 
                 TYR 
                 A 
                 255 
                 17.471 
                 29.660 
                 22.607 
                 1.00 
                 49.09 
                 A 
               
               
                 ATOM 
                 1942 
                 N 
                 ALA 
                 A 
                 256 
                 16.659 
                 31.670 
                 21.989 
                 1.00 
                 48.96 
                 A 
               
               
                 ATOM 
                 1943 
                 CA 
                 ALA 
                 A 
                 256 
                 17.918 
                 32.392 
                 22.145 
                 1.00 
                 49.88 
                 A 
               
               
                 ATOM 
                 1944 
                 CB 
                 ALA 
                 A 
                 256 
                 17.756 
                 33.820 
                 21.618 
                 1.00 
                 48.87 
                 A 
               
               
                 ATOM 
                 1945 
                 C 
                 ALA 
                 A 
                 256 
                 18.500 
                 32.422 
                 23.564 
                 1.00 
                 50.82 
                 A 
               
               
                 ATOM 
                 1946 
                 O 
                 ALA 
                 A 
                 256 
                 19.716 
                 32.536 
                 23.735 
                 1.00 
                 50.22 
                 A 
               
               
                 ATOM 
                 1947 
                 N 
                 THR 
                 A 
                 257 
                 17.651 
                 32.328 
                 24.582 
                 1.00 
                 52.17 
                 A 
               
               
                 ATOM 
                 1948 
                 CA 
                 THR 
                 A 
                 257 
                 18.152 
                 32.352 
                 25.954 
                 1.00 
                 53.69 
                 A 
               
               
                 ATOM 
                 1949 
                 CB 
                 THR 
                 A 
                 257 
                 17.347 
                 33.334 
                 26.837 
                 1.00 
                 52.46 
                 A 
               
               
                 ATOM 
                 1950 
                 OG1 
                 THR 
                 A 
                 257 
                 15.945 
                 33.092 
                 26.677 
                 1.00 
                 51.52 
                 A 
               
               
                 ATOM 
                 1951 
                 CG2 
                 THR 
                 A 
                 257 
                 17.667 
                 34.771 
                 26.462 
                 1.00 
                 52.76 
                 A 
               
               
                 ATOM 
                 1952 
                 C 
                 THR 
                 A 
                 257 
                 18.145 
                 30.977 
                 26.615 
                 1.00 
                 55.15 
                 A 
               
               
                 ATOM 
                 1953 
                 O 
                 THR 
                 A 
                 257 
                 18.703 
                 30.804 
                 27.699 
                 1.00 
                 55.75 
                 A 
               
               
                 ATOM 
                 1954 
                 N 
                 LYS 
                 A 
                 258 
                 17.528 
                 29.997 
                 25.959 
                 1.00 
                 56.37 
                 A 
               
               
                 ATOM 
                 1955 
                 CA 
                 LYS 
                 A 
                 258 
                 17.461 
                 28.648 
                 26.514 
                 1.00 
                 56.73 
                 A 
               
               
                 ATOM 
                 1956 
                 CB 
                 LYS 
                 A 
                 258 
                 16.001 
                 28.247 
                 26.728 
                 1.00 
                 58.42 
                 A 
               
               
                 ATOM 
                 1957 
                 CG 
                 LYS 
                 A 
                 258 
                 15.285 
                 29.088 
                 27.773 
                 1.00 
                 59.53 
                 A 
               
               
                 ATOM 
                 1958 
                 CD 
                 LYS 
                 A 
                 258 
                 13.861 
                 28.613 
                 27.997 
                 1.00 
                 60.71 
                 A 
               
               
                 ATOM 
                 1959 
                 CE 
                 LYS 
                 A 
                 258 
                 13.205 
                 29.387 
                 29.127 
                 1.00 
                 61.23 
                 A 
               
               
                 ATOM 
                 1960 
                 NZ 
                 LYS 
                 A 
                 258 
                 11.785 
                 28.986 
                 29.313 
                 1.00 
                 62.40 
                 A 
               
               
                 ATOM 
                 1961 
                 C 
                 LYS 
                 A 
                 258 
                 18.160 
                 27.590 
                 25.666 
                 1.00 
                 57.04 
                 A 
               
               
                 ATOM 
                 1962 
                 O 
                 LYS 
                 A 
                 258 
                 18.072 
                 26.398 
                 25.963 
                 1.00 
                 56.70 
                 A 
               
               
                 ATOM 
                 1963 
                 N 
                 ALA 
                 A 
                 259 
                 18.860 
                 28.020 
                 24.621 
                 1.00 
                 55.90 
                 A 
               
               
                 ATOM 
                 1964 
                 CA 
                 ALA 
                 A 
                 259 
                 19.557 
                 27.082 
                 23.743 
                 1.00 
                 55.40 
                 A 
               
               
                 ATOM 
                 1965 
                 CB 
                 ALA 
                 A 
                 259 
                 19.969 
                 27.781 
                 22.450 
                 1.00 
                 54.73 
                 A 
               
               
                 ATOM 
                 1966 
                 C 
                 ALA 
                 A 
                 259 
                 20.780 
                 26.456 
                 24.409 
                 1.00 
                 55.07 
                 A 
               
               
                 ATOM 
                 1967 
                 O 
                 ALA 
                 A 
                 259 
                 21.536 
                 27.126 
                 25.110 
                 1.00 
                 54.82 
                 A 
               
               
                 ATOM 
                 1968 
                 N 
                 PRO 
                 A 
                 260 
                 20.988 
                 25.150 
                 24.196 
                 1.00 
                 55.21 
                 A 
               
               
                 ATOM 
                 1969 
                 CD 
                 PRO 
                 A 
                 260 
                 20.123 
                 24.180 
                 23.501 
                 1.00 
                 54.90 
                 A 
               
               
                 ATOM 
                 1970 
                 CA 
                 PRO 
                 A 
                 260 
                 22.139 
                 24.480 
                 24.799 
                 1.00 
                 55.01 
                 A 
               
               
                 ATOM 
                 1971 
                 CB 
                 PRO 
                 A 
                 260 
                 21.806 
                 23.003 
                 24.615 
                 1.00 
                 55.58 
                 A 
               
               
                 ATOM 
                 1972 
                 CG 
                 PRO 
                 A 
                 260 
                 21.050 
                 22.999 
                 23.328 
                 1.00 
                 55.22 
                 A 
               
               
                 ATOM 
                 1973 
                 C 
                 PRO 
                 A 
                 260 
                 23.455 
                 24.860 
                 24.138 
                 1.00 
                 54.81 
                 A 
               
               
                 ATOM 
                 1974 
                 O 
                 PRO 
                 A 
                 260 
                 23.525 
                 25.030 
                 22.923 
                 1.00 
                 55.25 
                 A 
               
               
                 ATOM 
                 1975 
                 N 
                 TYR 
                 A 
                 261 
                 24.493 
                 25.011 
                 24.952 
                 1.00 
                 54.39 
                 A 
               
               
                 ATOM 
                 1976 
                 CA 
                 TYR 
                 A 
                 261 
                 25.818 
                 25.337 
                 24.452 
                 1.00 
                 55.68 
                 A 
               
               
                 ATOM 
                 1977 
                 CB 
                 TYR 
                 A 
                 261 
                 25.992 
                 26.853 
                 24.287 
                 1.00 
                 55.85 
                 A 
               
               
                 ATOM 
                 1978 
                 CG 
                 TYR 
                 A 
                 261 
                 25.843 
                 27.685 
                 25.542 
                 1.00 
                 55.90 
                 A 
               
               
                 ATOM 
                 1979 
                 CD1 
                 TYR 
                 A 
                 261 
                 26.945 
                 28.326 
                 26.108 
                 1.00 
                 55.27 
                 A 
               
               
                 ATOM 
                 1980 
                 CE1 
                 TYR 
                 A 
                 261 
                 26.809 
                 29.139 
                 27.232 
                 1.00 
                 55.94 
                 A 
               
               
                 ATOM 
                 1981 
                 CD2 
                 TYR 
                 A 
                 261 
                 24.594 
                 27.873 
                 26.136 
                 1.00 
                 55.74 
                 A 
               
               
                 ATOM 
                 1982 
                 CE2 
                 TYR 
                 A 
                 261 
                 24.446 
                 28.682 
                 27.261 
                 1.00 
                 56.36 
                 A 
               
               
                 ATOM 
                 1983 
                 CZ 
                 TYR 
                 A 
                 261 
                 25.558 
                 29.313 
                 27.803 
                 1.00 
                 56.36 
                 A 
               
               
                 ATOM 
                 1984 
                 OH 
                 TYR 
                 A 
                 261 
                 25.416 
                 30.118 
                 28.911 
                 1.00 
                 57.53 
                 A 
               
               
                 ATOM 
                 1985 
                 C 
                 TYR 
                 A 
                 261 
                 26.851 
                 24.761 
                 25.408 
                 1.00 
                 57.21 
                 A 
               
               
                 ATOM 
                 1986 
                 O 
                 TYR 
                 A 
                 261 
                 26.639 
                 24.738 
                 26.623 
                 1.00 
                 57.77 
                 A 
               
               
                 ATOM 
                 1987 
                 N 
                 ALA 
                 A 
                 262 
                 27.958 
                 24.279 
                 24.855 
                 1.00 
                 57.89 
                 A 
               
               
                 ATOM 
                 1988 
                 CA 
                 ALA 
                 A 
                 262 
                 29.010 
                 23.668 
                 25.655 
                 1.00 
                 58.96 
                 A 
               
               
                 ATOM 
                 1989 
                 CB 
                 ALA 
                 A 
                 262 
                 29.794 
                 22.674 
                 24.800 
                 1.00 
                 58.74 
                 A 
               
               
                 ATOM 
                 1990 
                 C 
                 ALA 
                 A 
                 262 
                 29.963 
                 24.668 
                 26.296 
                 1.00 
                 59.61 
                 A 
               
               
                 ATOM 
                 1991 
                 O 
                 ALA 
                 A 
                 262 
                 30.337 
                 24.515 
                 27.460 
                 1.00 
                 60.65 
                 A 
               
               
                 ATOM 
                 1992 
                 N 
                 TYR 
                 A 
                 263 
                 30.352 
                 25.687 
                 25.539 
                 1.00 
                 59.26 
                 A 
               
               
                 ATOM 
                 1993 
                 CA 
                 TYR 
                 A 
                 263 
                 31.276 
                 26.705 
                 26.027 
                 1.00 
                 58.56 
                 A 
               
               
                 ATOM 
                 1994 
                 CB 
                 TYR 
                 A 
                 263 
                 31.688 
                 27.627 
                 24.872 
                 1.00 
                 57.62 
                 A 
               
               
                 ATOM 
                 1995 
                 CG 
                 TYR 
                 A 
                 263 
                 30.532 
                 28.126 
                 24.031 
                 1.00 
                 55.64 
                 A 
               
               
                 ATOM 
                 1996 
                 CD1 
                 TYR 
                 A 
                 263 
                 29.825 
                 27.261 
                 23.193 
                 1.00 
                 55.16 
                 A 
               
               
                 ATOM 
                 1997 
                 CE1 
                 TYR 
                 A 
                 263 
                 28.753 
                 27.712 
                 22.431 
                 1.00 
                 53.62 
                 A 
               
               
                 ATOM 
                 1998 
                 CD2 
                 TYR 
                 A 
                 263 
                 30.134 
                 29.460 
                 24.082 
                 1.00 
                 55.16 
                 A 
               
               
                 ATOM 
                 1999 
                 CE2 
                 TYR 
                 A 
                 263 
                 29.061 
                 29.922 
                 23.323 
                 1.00 
                 53.97 
                 A 
               
               
                 ATOM 
                 2000 
                 CZ 
                 TYR 
                 A 
                 263 
                 28.375 
                 29.044 
                 22.503 
                 1.00 
                 53.51 
                 A 
               
               
                 ATOM 
                 2001 
                 OH 
                 TYR 
                 A 
                 263 
                 27.296 
                 29.494 
                 21.778 
                 1.00 
                 51.12 
                 A 
               
               
                 ATOM 
                 2002 
                 C 
                 TYR 
                 A 
                 263 
                 30.762 
                 27.547 
                 27.202 
                 1.00 
                 58.82 
                 A 
               
               
                 ATOM 
                 2003 
                 O 
                 TYR 
                 A 
                 263 
                 30.686 
                 28.773 
                 27.109 
                 1.00 
                 58.03 
                 A 
               
               
                 ATOM 
                 2004 
                 N 
                 VAL 
                 A 
                 264 
                 30.419 
                 26.889 
                 28.307 
                 1.00 
                 59.23 
                 A 
               
               
                 ATOM 
                 2005 
                 CA 
                 VAL 
                 A 
                 264 
                 29.941 
                 27.593 
                 29.496 
                 1.00 
                 59.65 
                 A 
               
               
                 ATOM 
                 2006 
                 CB 
                 VAL 
                 A 
                 264 
                 29.576 
                 26.607 
                 30.634 
                 1.00 
                 60.55 
                 A 
               
               
                 ATOM 
                 2007 
                 CG1 
                 VAL 
                 A 
                 264 
                 29.253 
                 27.377 
                 31.911 
                 1.00 
                 61.12 
                 A 
               
               
                 ATOM 
                 2008 
                 CG2 
                 VAL 
                 A 
                 264 
                 28.384 
                 25.754 
                 30.220 
                 1.00 
                 60.60 
                 A 
               
               
                 ATOM 
                 2009 
                 C 
                 VAL 
                 A 
                 264 
                 31.034 
                 28.539 
                 29.990 
                 1.00 
                 59.17 
                 A 
               
               
                 ATOM 
                 2010 
                 O 
                 VAL 
                 A 
                 264 
                 32.211 
                 28.175 
                 30.033 
                 1.00 
                 58.78 
                 A 
               
               
                 ATOM 
                 2011 
                 N 
                 GLY 
                 A 
                 265 
                 30.636 
                 29.751 
                 30.359 
                 1.00 
                 58.41 
                 A 
               
               
                 ATOM 
                 2012 
                 CA 
                 GLY 
                 A 
                 265 
                 31.591 
                 30.739 
                 30.824 
                 1.00 
                 57.69 
                 A 
               
               
                 ATOM 
                 2013 
                 C 
                 GLY 
                 A 
                 265 
                 31.473 
                 31.966 
                 29.945 
                 1.00 
                 57.54 
                 A 
               
               
                 ATOM 
                 2014 
                 O 
                 GLY 
                 A 
                 265 
                 31.800 
                 33.086 
                 30.341 
                 1.00 
                 56.90 
                 A 
               
               
                 ATOM 
                 2015 
                 N 
                 GLU 
                 A 
                 266 
                 31.009 
                 31.740 
                 28.724 
                 1.00 
                 57.93 
                 A 
               
               
                 ATOM 
                 2016 
                 CA 
                 GLU 
                 A 
                 266 
                 30.811 
                 32.820 
                 27.777 
                 1.00 
                 58.46 
                 A 
               
               
                 ATOM 
                 2017 
                 CB 
                 GLU 
                 A 
                 266 
                 31.588 
                 32.567 
                 26.490 
                 1.00 
                 58.78 
                 A 
               
               
                 ATOM 
                 2018 
                 CG 
                 GLU 
                 A 
                 266 
                 33.066 
                 32.327 
                 26.702 
                 1.00 
                 59.25 
                 A 
               
               
                 ATOM 
                 2019 
                 CD 
                 GLU 
                 A 
                 266 
                 33.790 
                 32.041 
                 25.405 
                 1.00 
                 59.38 
                 A 
               
               
                 ATOM 
                 2020 
                 OE1 
                 GLU 
                 A 
                 266 
                 34.004 
                 32.986 
                 24.616 
                 1.00 
                 59.35 
                 A 
               
               
                 ATOM 
                 2021 
                 OE2 
                 GLU 
                 A 
                 266 
                 34.135 
                 30.865 
                 25.171 
                 1.00 
                 60.57 
                 A 
               
               
                 ATOM 
                 2022 
                 C 
                 GLU 
                 A 
                 266 
                 29.326 
                 32.844 
                 27.480 
                 1.00 
                 58.93 
                 A 
               
               
                 ATOM 
                 2023 
                 O 
                 GLU 
                 A 
                 266 
                 28.578 
                 31.961 
                 27.913 
                 1.00 
                 59.06 
                 A 
               
               
                 ATOM 
                 2024 
                 N 
                 LYS 
                 A 
                 267 
                 28.893 
                 33.855 
                 26.743 
                 1.00 
                 58.87 
                 A 
               
               
                 ATOM 
                 2025 
                 CA 
                 LYS 
                 A 
                 267 
                 27.489 
                 33.963 
                 26.403 
                 1.00 
                 58.23 
                 A 
               
               
                 ATOM 
                 2026 
                 CB 
                 LYS 
                 A 
                 267 
                 27.080 
                 35.438 
                 26.338 
                 1.00 
                 59.85 
                 A 
               
               
                 ATOM 
                 2027 
                 CG 
                 LYS 
                 A 
                 267 
                 27.061 
                 36.127 
                 27.703 
                 1.00 
                 61.48 
                 A 
               
               
                 ATOM 
                 2028 
                 CD 
                 LYS 
                 A 
                 267 
                 28.411 
                 36.008 
                 28.406 
                 1.00 
                 62.59 
                 A 
               
               
                 ATOM 
                 2029 
                 CE 
                 LYS 
                 A 
                 267 
                 28.296 
                 36.229 
                 29.907 
                 1.00 
                 62.62 
                 A 
               
               
                 ATOM 
                 2030 
                 NZ 
                 LYS 
                 A 
                 267 
                 29.556 
                 35.847 
                 30.602 
                 1.00 
                 60.90 
                 A 
               
               
                 ATOM 
                 2031 
                 C 
                 LYS 
                 A 
                 267 
                 27.256 
                 33.268 
                 25.073 
                 1.00 
                 56.21 
                 A 
               
               
                 ATOM 
                 2032 
                 O 
                 LYS 
                 A 
                 267 
                 28.154 
                 33.213 
                 24.230 
                 1.00 
                 55.89 
                 A 
               
               
                 ATOM 
                 2033 
                 N 
                 ARG 
                 A 
                 268 
                 26.057 
                 32.717 
                 24.903 
                 1.00 
                 54.39 
                 A 
               
               
                 ATOM 
                 2034 
                 CA 
                 ARG 
                 A 
                 268 
                 25.698 
                 32.023 
                 23.674 
                 1.00 
                 52.55 
                 A 
               
               
                 ATOM 
                 2035 
                 CB 
                 ARG 
                 A 
                 268 
                 24.194 
                 31.750 
                 23.605 
                 1.00 
                 51.64 
                 A 
               
               
                 ATOM 
                 2036 
                 CG 
                 ARG 
                 A 
                 268 
                 23.639 
                 30.751 
                 24.585 
                 1.00 
                 52.17 
                 A 
               
               
                 ATOM 
                 2037 
                 CD 
                 ARG 
                 A 
                 268 
                 22.164 
                 30.533 
                 24.291 
                 1.00 
                 53.30 
                 A 
               
               
                 ATOM 
                 2038 
                 NE 
                 ARG 
                 A 
                 268 
                 21.522 
                 29.641 
                 25.251 
                 1.00 
                 55.82 
                 A 
               
               
                 ATOM 
                 2039 
                 CZ 
                 ARG 
                 A 
                 268 
                 21.311 
                 29.938 
                 26.530 
                 1.00 
                 56.60 
                 A 
               
               
                 ATOM 
                 2040 
                 NH1 
                 ARG 
                 A 
                 268 
                 21.689 
                 31.114 
                 27.014 
                 1.00 
                 57.37 
                 A 
               
               
                 ATOM 
                 2041 
                 NH2 
                 ARG 
                 A 
                 268 
                 20.722 
                 29.055 
                 27.325 
                 1.00 
                 57.84 
                 A 
               
               
                 ATOM 
                 2042 
                 C 
                 ARG 
                 A 
                 268 
                 26.053 
                 32.847 
                 22.454 
                 1.00 
                 50.70 
                 A 
               
               
                 ATOM 
                 2043 
                 O 
                 ARG 
                 A 
                 268 
                 25.856 
                 34.065 
                 22.435 
                 1.00 
                 51.42 
                 A 
               
               
                 ATOM 
                 2044 
                 N 
                 THR 
                 A 
                 269 
                 26.585 
                 32.176 
                 21.441 
                 1.00 
                 50.18 
                 A 
               
               
                 ATOM 
                 2045 
                 CA 
                 THR 
                 A 
                 269 
                 26.902 
                 32.828 
                 20.183 
                 1.00 
                 47.44 
                 A 
               
               
                 ATOM 
                 2046 
                 CB 
                 THR 
                 A 
                 269 
                 28.116 
                 32.200 
                 19.498 
                 1.00 
                 48.13 
                 A 
               
               
                 ATOM 
                 2047 
                 OG1 
                 THR 
                 A 
                 269 
                 29.289 
                 32.466 
                 20.277 
                 1.00 
                 48.94 
                 A 
               
               
                 ATOM 
                 2048 
                 CG2 
                 THR 
                 A 
                 269 
                 28.297 
                 32.784 
                 18.096 
                 1.00 
                 47.82 
                 A 
               
               
                 ATOM 
                 2049 
                 C 
                 THR 
                 A 
                 269 
                 25.656 
                 32.572 
                 19.343 
                 1.00 
                 46.15 
                 A 
               
               
                 ATOM 
                 2050 
                 O 
                 THR 
                 A 
                 269 
                 25.227 
                 31.430 
                 19.188 
                 1.00 
                 46.11 
                 A 
               
               
                 ATOM 
                 2051 
                 N 
                 LEU 
                 A 
                 270 
                 25.063 
                 33.641 
                 18.830 
                 1.00 
                 44.47 
                 A 
               
               
                 ATOM 
                 2052 
                 CA 
                 LEU 
                 A 
                 270 
                 23.853 
                 33.532 
                 18.031 
                 1.00 
                 43.06 
                 A 
               
               
                 ATOM 
                 2053 
                 CB 
                 LEU 
                 A 
                 270 
                 22.713 
                 34.265 
                 18.740 
                 1.00 
                 43.60 
                 A 
               
               
                 ATOM 
                 2054 
                 CG 
                 LEU 
                 A 
                 270 
                 22.468 
                 33.872 
                 20.200 
                 1.00 
                 44.62 
                 A 
               
               
                 ATOM 
                 2055 
                 CD1 
                 LEU 
                 A 
                 270 
                 21.764 
                 35.002 
                 20.927 
                 1.00 
                 44.69 
                 A 
               
               
                 ATOM 
                 2056 
                 CD2 
                 LEU 
                 A 
                 270 
                 21.646 
                 32.597 
                 20.261 
                 1.00 
                 44.54 
                 A 
               
               
                 ATOM 
                 2057 
                 C 
                 LEU 
                 A 
                 270 
                 24.054 
                 34.133 
                 16.642 
                 1.00 
                 40.92 
                 A 
               
               
                 ATOM 
                 2058 
                 O 
                 LEU 
                 A 
                 270 
                 24.858 
                 35.046 
                 16.462 
                 1.00 
                 42.68 
                 A 
               
               
                 ATOM 
                 2059 
                 N 
                 VAL 
                 A 
                 271 
                 23.332 
                 33.603 
                 15.663 
                 1.00 
                 39.89 
                 A 
               
               
                 ATOM 
                 2060 
                 CA 
                 VAL 
                 A 
                 271 
                 23.394 
                 34.120 
                 14.298 
                 1.00 
                 38.73 
                 A 
               
               
                 ATOM 
                 2061 
                 CB 
                 VAL 
                 A 
                 271 
                 24.243 
                 33.236 
                 13.371 
                 1.00 
                 39.03 
                 A 
               
               
                 ATOM 
                 2062 
                 CG1 
                 VAL 
                 A 
                 271 
                 24.009 
                 33.628 
                 11.911 
                 1.00 
                 37.91 
                 A 
               
               
                 ATOM 
                 2063 
                 CG2 
                 VAL 
                 A 
                 271 
                 25.703 
                 33.419 
                 13.699 
                 1.00 
                 37.99 
                 A 
               
               
                 ATOM 
                 2064 
                 C 
                 VAL 
                 A 
                 271 
                 21.972 
                 34.181 
                 13.775 
                 1.00 
                 37.49 
                 A 
               
               
                 ATOM 
                 2065 
                 O 
                 VAL 
                 A 
                 271 
                 21.330 
                 33.154 
                 13.568 
                 1.00 
                 36.59 
                 A 
               
               
                 ATOM 
                 2066 
                 N 
                 TYR 
                 A 
                 272 
                 21.475 
                 35.398 
                 13.602 
                 1.00 
                 37.97 
                 A 
               
               
                 ATOM 
                 2067 
                 CA 
                 TYR 
                 A 
                 272 
                 20.121 
                 35.605 
                 13.113 
                 1.00 
                 36.60 
                 A 
               
               
                 ATOM 
                 2068 
                 CB 
                 TYR 
                 A 
                 272 
                 19.528 
                 36.903 
                 13.659 
                 1.00 
                 37.13 
                 A 
               
               
                 ATOM 
                 2069 
                 CG 
                 TYR 
                 A 
                 272 
                 19.312 
                 36.932 
                 15.152 
                 1.00 
                 40.37 
                 A 
               
               
                 ATOM 
                 2070 
                 CD1 
                 TYR 
                 A 
                 272 
                 20.387 
                 37.056 
                 16.033 
                 1.00 
                 40.17 
                 A 
               
               
                 ATOM 
                 2071 
                 CE1 
                 TYR 
                 A 
                 272 
                 20.178 
                 37.136 
                 17.413 
                 1.00 
                 42.29 
                 A 
               
               
                 ATOM 
                 2072 
                 CD2 
                 TYR 
                 A 
                 272 
                 18.021 
                 36.879 
                 15.685 
                 1.00 
                 41.07 
                 A 
               
               
                 ATOM 
                 2073 
                 CE2 
                 TYR 
                 A 
                 272 
                 17.805 
                 36.956 
                 17.056 
                 1.00 
                 41.54 
                 A 
               
               
                 ATOM 
                 2074 
                 CZ 
                 TYR 
                 A 
                 272 
                 18.883 
                 37.086 
                 17.913 
                 1.00 
                 41.60 
                 A 
               
               
                 ATOM 
                 2075 
                 OH 
                 TYR 
                 A 
                 272 
                 18.657 
                 37.172 
                 19.266 
                 1.00 
                 43.79 
                 A 
               
               
                 ATOM 
                 2076 
                 C 
                 TYR 
                 A 
                 272 
                 20.109 
                 35.686 
                 11.603 
                 1.00 
                 35.69 
                 A 
               
               
                 ATOM 
                 2077 
                 O 
                 TYR 
                 A 
                 272 
                 21.119 
                 35.983 
                 10.977 
                 1.00 
                 34.57 
                 A 
               
               
                 ATOM 
                 2078 
                 N 
                 GLY 
                 A 
                 273 
                 18.940 
                 35.444 
                 11.031 
                 1.00 
                 34.52 
                 A 
               
               
                 ATOM 
                 2079 
                 CA 
                 GLY 
                 A 
                 273 
                 18.815 
                 35.508 
                 9.596 
                 1.00 
                 34.19 
                 A 
               
               
                 ATOM 
                 2080 
                 C 
                 GLY 
                 A 
                 273 
                 17.487 
                 36.075 
                 9.159 
                 1.00 
                 32.96 
                 A 
               
               
                 ATOM 
                 2081 
                 O 
                 GLY 
                 A 
                 273 
                 16.435 
                 35.786 
                 9.747 
                 1.00 
                 33.22 
                 A 
               
               
                 ATOM 
                 2082 
                 N 
                 LEU 
                 A 
                 274 
                 17.548 
                 36.915 
                 8.136 
                 1.00 
                 31.58 
                 A 
               
               
                 ATOM 
                 2083 
                 CA 
                 LEU 
                 A 
                 274 
                 16.360 
                 37.508 
                 7.557 
                 1.00 
                 30.07 
                 A 
               
               
                 ATOM 
                 2084 
                 CB 
                 LEU 
                 A 
                 274 
                 16.417 
                 39.029 
                 7.606 
                 1.00 
                 30.58 
                 A 
               
               
                 ATOM 
                 2085 
                 CG 
                 LEU 
                 A 
                 274 
                 15.329 
                 39.712 
                 6.766 
                 1.00 
                 32.48 
                 A 
               
               
                 ATOM 
                 2086 
                 CD1 
                 LEU 
                 A 
                 274 
                 13.961 
                 39.283 
                 7.256 
                 1.00 
                 32.49 
                 A 
               
               
                 ATOM 
                 2087 
                 CD2 
                 LEU 
                 A 
                 274 
                 15.470 
                 41.216 
                 6.855 
                 1.00 
                 31.20 
                 A 
               
               
                 ATOM 
                 2088 
                 C 
                 LEU 
                 A 
                 274 
                 16.403 
                 37.044 
                 6.119 
                 1.00 
                 29.70 
                 A 
               
               
                 ATOM 
                 2089 
                 O 
                 LEU 
                 A 
                 274 
                 17.318 
                 37.399 
                 5.377 
                 1.00 
                 27.86 
                 A 
               
               
                 ATOM 
                 2090 
                 N 
                 THR 
                 A 
                 275 
                 15.429 
                 36.231 
                 5.737 
                 1.00 
                 28.56 
                 A 
               
               
                 ATOM 
                 2091 
                 CA 
                 THR 
                 A 
                 275 
                 15.384 
                 35.704 
                 4.390 
                 1.00 
                 30.21 
                 A 
               
               
                 ATOM 
                 2092 
                 CB 
                 THR 
                 A 
                 275 
                 15.249 
                 34.174 
                 4.397 
                 1.00 
                 30.89 
                 A 
               
               
                 ATOM 
                 2093 
                 OG1 
                 THR 
                 A 
                 275 
                 16.243 
                 33.611 
                 5.263 
                 1.00 
                 31.27 
                 A 
               
               
                 ATOM 
                 2094 
                 CG2 
                 THR 
                 A 
                 275 
                 15.466 
                 33.617 
                 2.985 
                 1.00 
                 32.12 
                 A 
               
               
                 ATOM 
                 2095 
                 C 
                 THR 
                 A 
                 275 
                 14.228 
                 36.296 
                 3.613 
                 1.00 
                 31.45 
                 A 
               
               
                 ATOM 
                 2096 
                 O 
                 THR 
                 A 
                 275 
                 13.095 
                 36.367 
                 4.106 
                 1.00 
                 30.04 
                 A 
               
               
                 ATOM 
                 2097 
                 N 
                 LEU 
                 A 
                 276 
                 14.534 
                 36.707 
                 2.389 
                 1.00 
                 30.98 
                 A 
               
               
                 ATOM 
                 2098 
                 CA 
                 LEU 
                 A 
                 276 
                 13.560 
                 37.306 
                 1.502 
                 1.00 
                 32.05 
                 A 
               
               
                 ATOM 
                 2099 
                 CB 
                 LEU 
                 A 
                 276 
                 14.029 
                 38.692 
                 1.063 
                 1.00 
                 32.02 
                 A 
               
               
                 ATOM 
                 2100 
                 CG 
                 LEU 
                 A 
                 276 
                 14.463 
                 39.658 
                 2.161 
                 1.00 
                 31.99 
                 A 
               
               
                 ATOM 
                 2101 
                 CD1 
                 LEU 
                 A 
                 276 
                 15.012 
                 40.926 
                 1.528 
                 1.00 
                 33.02 
                 A 
               
               
                 ATOM 
                 2102 
                 CD2 
                 LEU 
                 A 
                 276 
                 13.287 
                 39.968 
                 3.067 
                 1.00 
                 31.46 
                 A 
               
               
                 ATOM 
                 2103 
                 C 
                 LEU 
                 A 
                 276 
                 13.377 
                 36.442 
                 0.269 
                 1.00 
                 32.27 
                 A 
               
               
                 ATOM 
                 2104 
                 O 
                 LEU 
                 A 
                 276 
                 14.331 
                 36.202 
                 −0.471 
                 1.00 
                 31.75 
                 A 
               
               
                 ATOM 
                 2105 
                 N 
                 SER 
                 A 
                 277 
                 12.151 
                 35.967 
                 0.065 
                 1.00 
                 33.88 
                 A 
               
               
                 ATOM 
                 2106 
                 CA 
                 SER 
                 A 
                 277 
                 11.830 
                 35.164 
                 −1.101 
                 1.00 
                 34.99 
                 A 
               
               
                 ATOM 
                 2107 
                 CB 
                 SER 
                 A 
                 277 
                 11.166 
                 33.848 
                 −0.689 
                 1.00 
                 35.49 
                 A 
               
               
                 ATOM 
                 2108 
                 OG 
                 SER 
                 A 
                 277 
                 9.833 
                 34.061 
                 −0.264 
                 1.00 
                 37.40 
                 A 
               
               
                 ATOM 
                 2109 
                 C 
                 SER 
                 A 
                 277 
                 10.873 
                 36.020 
                 −1.931 
                 1.00 
                 36.36 
                 A 
               
               
                 ATOM 
                 2110 
                 O 
                 SER 
                 A 
                 277 
                 10.451 
                 37.090 
                 −1.493 
                 1.00 
                 34.72 
                 A 
               
               
                 ATOM 
                 2111 
                 N 
                 PRO 
                 A 
                 278 
                 10.514 
                 35.563 
                 −3.139 
                 1.00 
                 39.44 
                 A 
               
               
                 ATOM 
                 2112 
                 CD 
                 PRO 
                 A 
                 278 
                 10.974 
                 34.375 
                 −3.875 
                 1.00 
                 39.05 
                 A 
               
               
                 ATOM 
                 2113 
                 CA 
                 PRO 
                 A 
                 278 
                 9.606 
                 36.369 
                 −3.957 
                 1.00 
                 40.64 
                 A 
               
               
                 ATOM 
                 2114 
                 CB 
                 PRO 
                 A 
                 278 
                 9.433 
                 35.521 
                 −5.214 
                 1.00 
                 40.18 
                 A 
               
               
                 ATOM 
                 2115 
                 CG 
                 PRO 
                 A 
                 278 
                 10.752 
                 34.792 
                 −5.306 
                 1.00 
                 40.69 
                 A 
               
               
                 ATOM 
                 2116 
                 C 
                 PRO 
                 A 
                 278 
                 8.272 
                 36.695 
                 −3.300 
                 1.00 
                 42.09 
                 A 
               
               
                 ATOM 
                 2117 
                 O 
                 PRO 
                 A 
                 278 
                 7.765 
                 37.807 
                 −3.428 
                 1.00 
                 43.87 
                 A 
               
               
                 ATOM 
                 2118 
                 N 
                 LYS 
                 A 
                 279 
                 7.715 
                 35.740 
                 −2.570 
                 1.00 
                 44.32 
                 A 
               
               
                 ATOM 
                 2119 
                 CA 
                 LYS 
                 A 
                 279 
                 6.414 
                 35.959 
                 −1.964 
                 1.00 
                 45.01 
                 A 
               
               
                 ATOM 
                 2120 
                 CB 
                 LYS 
                 A 
                 279 
                 5.533 
                 34.738 
                 −2.224 
                 1.00 
                 46.55 
                 A 
               
               
                 ATOM 
                 2121 
                 CG 
                 LYS 
                 A 
                 279 
                 5.493 
                 34.307 
                 −3.693 
                 1.00 
                 48.65 
                 A 
               
               
                 ATOM 
                 2122 
                 CD 
                 LYS 
                 A 
                 279 
                 4.868 
                 35.368 
                 −4.594 
                 1.00 
                 49.82 
                 A 
               
               
                 ATOM 
                 2123 
                 CE 
                 LYS 
                 A 
                 279 
                 4.878 
                 34.913 
                 −6.054 
                 1.00 
                 50.84 
                 A 
               
               
                 ATOM 
                 2124 
                 NZ 
                 LYS 
                 A 
                 279 
                 4.280 
                 35.916 
                 −6.979 
                 1.00 
                 51.34 
                 A 
               
               
                 ATOM 
                 2125 
                 C 
                 LYS 
                 A 
                 279 
                 6.380 
                 36.303 
                 −0.483 
                 1.00 
                 44.70 
                 A 
               
               
                 ATOM 
                 2126 
                 O 
                 LYS 
                 A 
                 279 
                 5.385 
                 36.834 
                 0.001 
                 1.00 
                 45.30 
                 A 
               
               
                 ATOM 
                 2127 
                 N 
                 GLU 
                 A 
                 280 
                 7.457 
                 36.029 
                 0.240 
                 1.00 
                 43.74 
                 A 
               
               
                 ATOM 
                 2128 
                 CA 
                 GLU 
                 A 
                 280 
                 7.464 
                 36.308 
                 1.670 
                 1.00 
                 42.41 
                 A 
               
               
                 ATOM 
                 2129 
                 CB 
                 GLU 
                 A 
                 280 
                 6.956 
                 35.086 
                 2.439 
                 1.00 
                 45.17 
                 A 
               
               
                 ATOM 
                 2130 
                 CG 
                 GLU 
                 A 
                 280 
                 7.607 
                 33.770 
                 1.997 
                 1.00 
                 48.54 
                 A 
               
               
                 ATOM 
                 2131 
                 CD 
                 GLU 
                 A 
                 280 
                 7.531 
                 32.665 
                 3.051 
                 1.00 
                 51.12 
                 A 
               
               
                 ATOM 
                 2132 
                 OE1 
                 GLU 
                 A 
                 280 
                 6.653 
                 32.737 
                 3.940 
                 1.00 
                 53.02 
                 A 
               
               
                 ATOM 
                 2133 
                 OE2 
                 GLU 
                 A 
                 280 
                 8.346 
                 31.717 
                 2.982 
                 1.00 
                 50.28 
                 A 
               
               
                 ATOM 
                 2134 
                 C 
                 GLU 
                 A 
                 280 
                 8.816 
                 36.688 
                 2.244 
                 1.00 
                 40.99 
                 A 
               
               
                 ATOM 
                 2135 
                 O 
                 GLU 
                 A 
                 280 
                 9.796 
                 36.885 
                 1.527 
                 1.00 
                 37.74 
                 A 
               
               
                 ATOM 
                 2136 
                 N 
                 GLU 
                 A 
                 281 
                 8.828 
                 36.773 
                 3.569 
                 1.00 
                 40.26 
                 A 
               
               
                 ATOM 
                 2137 
                 CA 
                 GLU 
                 A 
                 281 
                 10.003 
                 37.079 
                 4.363 
                 1.00 
                 39.86 
                 A 
               
               
                 ATOM 
                 2138 
                 CB 
                 GLU 
                 A 
                 281 
                 10.008 
                 38.562 
                 4.754 
                 1.00 
                 40.81 
                 A 
               
               
                 ATOM 
                 2139 
                 CG 
                 GLU 
                 A 
                 281 
                 10.698 
                 38.866 
                 6.077 
                 1.00 
                 41.06 
                 A 
               
               
                 ATOM 
                 2140 
                 CD 
                 GLU 
                 A 
                 281 
                 10.540 
                 40.316 
                 6.517 
                 1.00 
                 43.02 
                 A 
               
               
                 ATOM 
                 2141 
                 OE1 
                 GLU 
                 A 
                 281 
                 10.990 
                 41.219 
                 5.784 
                 1.00 
                 42.38 
                 A 
               
               
                 ATOM 
                 2142 
                 OE2 
                 GLU 
                 A 
                 281 
                 9.967 
                 40.558 
                 7.603 
                 1.00 
                 42.59 
                 A 
               
               
                 ATOM 
                 2143 
                 C 
                 GLU 
                 A 
                 281 
                 9.874 
                 36.224 
                 5.621 
                 1.00 
                 39.25 
                 A 
               
               
                 ATOM 
                 2144 
                 O 
                 GLU 
                 A 
                 281 
                 8.813 
                 36.204 
                 6.242 
                 1.00 
                 39.38 
                 A 
               
               
                 ATOM 
                 2145 
                 N 
                 TYR 
                 A 
                 282 
                 10.929 
                 35.501 
                 5.984 
                 1.00 
                 36.51 
                 A 
               
               
                 ATOM 
                 2146 
                 CA 
                 TYR 
                 A 
                 282 
                 10.895 
                 34.703 
                 7.200 
                 1.00 
                 35.17 
                 A 
               
               
                 ATOM 
                 2147 
                 CB 
                 TYR 
                 A 
                 282 
                 10.575 
                 33.231 
                 6.909 
                 1.00 
                 34.96 
                 A 
               
               
                 ATOM 
                 2148 
                 CG 
                 TYR 
                 A 
                 282 
                 11.546 
                 32.493 
                 6.022 
                 1.00 
                 35.52 
                 A 
               
               
                 ATOM 
                 2149 
                 CD1 
                 TYR 
                 A 
                 282 
                 12.574 
                 31.728 
                 6.569 
                 1.00 
                 35.03 
                 A 
               
               
                 ATOM 
                 2150 
                 CE1 
                 TYR 
                 A 
                 282 
                 13.446 
                 31.001 
                 5.758 
                 1.00 
                 36.48 
                 A 
               
               
                 ATOM 
                 2151 
                 CD2 
                 TYR 
                 A 
                 282 
                 11.411 
                 32.521 
                 4.631 
                 1.00 
                 34.37 
                 A 
               
               
                 ATOM 
                 2152 
                 CE2 
                 TYR 
                 A 
                 282 
                 12.279 
                 31.796 
                 3.809 
                 1.00 
                 34.23 
                 A 
               
               
                 ATOM 
                 2153 
                 CZ 
                 TYR 
                 A 
                 282 
                 13.291 
                 31.040 
                 4.380 
                 1.00 
                 34.88 
                 A 
               
               
                 ATOM 
                 2154 
                 OH 
                 TYR 
                 A 
                 282 
                 14.143 
                 30.310 
                 3.584 
                 1.00 
                 37.85 
                 A 
               
               
                 ATOM 
                 2155 
                 C 
                 TYR 
                 A 
                 282 
                 12.205 
                 34.871 
                 7.956 
                 1.00 
                 34.80 
                 A 
               
               
                 ATOM 
                 2156 
                 O 
                 TYR 
                 A 
                 282 
                 13.182 
                 35.398 
                 7.415 
                 1.00 
                 32.60 
                 A 
               
               
                 ATOM 
                 2157 
                 N 
                 TYR 
                 A 
                 283 
                 12.216 
                 34.423 
                 9.206 
                 1.00 
                 34.19 
                 A 
               
               
                 ATOM 
                 2158 
                 CA 
                 TYR 
                 A 
                 283 
                 13.369 
                 34.598 
                 10.080 
                 1.00 
                 33.80 
                 A 
               
               
                 ATOM 
                 2159 
                 CB 
                 TYR 
                 A 
                 283 
                 12.910 
                 35.412 
                 11.288 
                 1.00 
                 35.23 
                 A 
               
               
                 ATOM 
                 2160 
                 CG 
                 TYR 
                 A 
                 283 
                 11.860 
                 36.424 
                 10.889 
                 1.00 
                 36.91 
                 A 
               
               
                 ATOM 
                 2161 
                 CD1 
                 TYR 
                 A 
                 283 
                 12.193 
                 37.541 
                 10.117 
                 1.00 
                 37.31 
                 A 
               
               
                 ATOM 
                 2162 
                 CE1 
                 TYR 
                 A 
                 283 
                 11.206 
                 38.407 
                 9.629 
                 1.00 
                 37.64 
                 A 
               
               
                 ATOM 
                 2163 
                 CD2 
                 TYR 
                 A 
                 283 
                 10.512 
                 36.203 
                 11.175 
                 1.00 
                 38.08 
                 A 
               
               
                 ATOM 
                 2164 
                 CE2 
                 TYR 
                 A 
                 283 
                 9.521 
                 37.059 
                 10.695 
                 1.00 
                 38.79 
                 A 
               
               
                 ATOM 
                 2165 
                 CZ 
                 TYR 
                 A 
                 283 
                 9.875 
                 38.154 
                 9.923 
                 1.00 
                 39.16 
                 A 
               
               
                 ATOM 
                 2166 
                 OH 
                 TYR 
                 A 
                 283 
                 8.890 
                 38.986 
                 9.446 
                 1.00 
                 39.66 
                 A 
               
               
                 ATOM 
                 2167 
                 C 
                 TYR 
                 A 
                 283 
                 14.041 
                 33.302 
                 10.519 
                 1.00 
                 33.97 
                 A 
               
               
                 ATOM 
                 2168 
                 O 
                 TYR 
                 A 
                 283 
                 13.404 
                 32.258 
                 10.627 
                 1.00 
                 34.03 
                 A 
               
               
                 ATOM 
                 2169 
                 N 
                 LYS 
                 A 
                 284 
                 15.342 
                 33.375 
                 10.768 
                 1.00 
                 32.82 
                 A 
               
               
                 ATOM 
                 2170 
                 CA 
                 LYS 
                 A 
                 284 
                 16.086 
                 32.191 
                 11.170 
                 1.00 
                 33.38 
                 A 
               
               
                 ATOM 
                 2171 
                 CB 
                 LYS 
                 A 
                 284 
                 16.893 
                 31.668 
                 9.974 
                 1.00 
                 34.19 
                 A 
               
               
                 ATOM 
                 2172 
                 CG 
                 LYS 
                 A 
                 284 
                 15.989 
                 31.260 
                 8.809 
                 1.00 
                 36.80 
                 A 
               
               
                 ATOM 
                 2173 
                 CD 
                 LYS 
                 A 
                 284 
                 16.733 
                 30.629 
                 7.633 
                 1.00 
                 39.12 
                 A 
               
               
                 ATOM 
                 2174 
                 CE 
                 LYS 
                 A 
                 284 
                 17.536 
                 31.643 
                 6.843 
                 1.00 
                 40.11 
                 A 
               
               
                 ATOM 
                 2175 
                 NZ 
                 LYS 
                 A 
                 284 
                 18.047 
                 31.069 
                 5.548 
                 1.00 
                 34.37 
                 A 
               
               
                 ATOM 
                 2176 
                 C 
                 LYS 
                 A 
                 284 
                 16.988 
                 32.481 
                 12.362 
                 1.00 
                 32.66 
                 A 
               
               
                 ATOM 
                 2177 
                 O 
                 LYS 
                 A 
                 284 
                 17.392 
                 33.624 
                 12.583 
                 1.00 
                 33.84 
                 A 
               
               
                 ATOM 
                 2178 
                 N 
                 LEU 
                 A 
                 285 
                 17.283 
                 31.448 
                 13.143 
                 1.00 
                 33.01 
                 A 
               
               
                 ATOM 
                 2179 
                 CA 
                 LEU 
                 A 
                 285 
                 18.141 
                 31.621 
                 14.308 
                 1.00 
                 33.94 
                 A 
               
               
                 ATOM 
                 2180 
                 CB 
                 LEU 
                 A 
                 285 
                 17.309 
                 32.021 
                 15.531 
                 1.00 
                 34.70 
                 A 
               
               
                 ATOM 
                 2181 
                 CG 
                 LEU 
                 A 
                 285 
                 18.063 
                 32.102 
                 16.862 
                 1.00 
                 36.10 
                 A 
               
               
                 ATOM 
                 2182 
                 CD1 
                 LEU 
                 A 
                 285 
                 19.214 
                 33.085 
                 16.752 
                 1.00 
                 35.16 
                 A 
               
               
                 ATOM 
                 2183 
                 CD2 
                 LEU 
                 A 
                 285 
                 17.097 
                 32.525 
                 17.965 
                 1.00 
                 36.19 
                 A 
               
               
                 ATOM 
                 2184 
                 C 
                 LEU 
                 A 
                 285 
                 18.950 
                 30.377 
                 14.633 
                 1.00 
                 33.22 
                 A 
               
               
                 ATOM 
                 2185 
                 O 
                 LEU 
                 A 
                 285 
                 18.401 
                 29.311 
                 14.918 
                 1.00 
                 34.61 
                 A 
               
               
                 ATOM 
                 2186 
                 N 
                 GLY 
                 A 
                 286 
                 20.265 
                 30.527 
                 14.582 
                 1.00 
                 33.99 
                 A 
               
               
                 ATOM 
                 2187 
                 CA 
                 GLY 
                 A 
                 286 
                 21.142 
                 29.422 
                 14.893 
                 1.00 
                 34.28 
                 A 
               
               
                 ATOM 
                 2188 
                 C 
                 GLY 
                 A 
                 286 
                 21.824 
                 29.682 
                 16.218 
                 1.00 
                 34.79 
                 A 
               
               
                 ATOM 
                 2189 
                 O 
                 GLY 
                 A 
                 286 
                 22.402 
                 30.745 
                 16.418 
                 1.00 
                 35.42 
                 A 
               
               
                 ATOM 
                 2190 
                 N 
                 ALA 
                 A 
                 287 
                 21.728 
                 28.726 
                 17.135 
                 1.00 
                 36.63 
                 A 
               
               
                 ATOM 
                 2191 
                 CA 
                 ALA 
                 A 
                 287 
                 22.369 
                 28.848 
                 18.439 
                 1.00 
                 37.80 
                 A 
               
               
                 ATOM 
                 2192 
                 CB 
                 ALA 
                 A 
                 287 
                 21.384 
                 28.517 
                 19.546 
                 1.00 
                 37.09 
                 A 
               
               
                 ATOM 
                 2193 
                 C 
                 ALA 
                 A 
                 287 
                 23.530 
                 27.865 
                 18.454 
                 1.00 
                 38.30 
                 A 
               
               
                 ATOM 
                 2194 
                 O 
                 ALA 
                 A 
                 287 
                 23.326 
                 26.648 
                 18.412 
                 1.00 
                 38.88 
                 A 
               
               
                 ATOM 
                 2195 
                 N 
                 TYR 
                 A 
                 288 
                 24.746 
                 28.397 
                 18.497 
                 1.00 
                 40.30 
                 A 
               
               
                 ATOM 
                 2196 
                 CA 
                 TYR 
                 A 
                 288 
                 25.936 
                 27.569 
                 18.505 
                 1.00 
                 42.62 
                 A 
               
               
                 ATOM 
                 2197 
                 CB 
                 TYR 
                 A 
                 288 
                 27.189 
                 28.434 
                 18.343 
                 1.00 
                 43.09 
                 A 
               
               
                 ATOM 
                 2198 
                 CG 
                 TYR 
                 A 
                 288 
                 27.362 
                 29.009 
                 16.955 
                 1.00 
                 43.83 
                 A 
               
               
                 ATOM 
                 2199 
                 CD1 
                 TYR 
                 A 
                 288 
                 26.405 
                 29.865 
                 16.409 
                 1.00 
                 45.17 
                 A 
               
               
                 ATOM 
                 2200 
                 CE1 
                 TYR 
                 A 
                 288 
                 26.545 
                 30.373 
                 15.119 
                 1.00 
                 44.97 
                 A 
               
               
                 ATOM 
                 2201 
                 CD2 
                 TYR 
                 A 
                 288 
                 28.469 
                 28.679 
                 16.175 
                 1.00 
                 43.95 
                 A 
               
               
                 ATOM 
                 2202 
                 CE2 
                 TYR 
                 A 
                 288 
                 28.621 
                 29.182 
                 14.885 
                 1.00 
                 43.70 
                 A 
               
               
                 ATOM 
                 2203 
                 CZ 
                 TYR 
                 A 
                 288 
                 27.654 
                 30.027 
                 14.365 
                 1.00 
                 45.56 
                 A 
               
               
                 ATOM 
                 2204 
                 OH 
                 TYR 
                 A 
                 288 
                 27.789 
                 30.525 
                 13.090 
                 1.00 
                 46.87 
                 A 
               
               
                 ATOM 
                 2205 
                 C 
                 TYR 
                 A 
                 288 
                 26.059 
                 26.734 
                 19.768 
                 1.00 
                 45.18 
                 A 
               
               
                 ATOM 
                 2206 
                 O 
                 TYR 
                 A 
                 288 
                 25.919 
                 27.240 
                 20.882 
                 1.00 
                 44.32 
                 A 
               
               
                 ATOM 
                 2207 
                 N 
                 TYR 
                 A 
                 289 
                 26.305 
                 25.443 
                 19.573 
                 1.00 
                 46.25 
                 A 
               
               
                 ATOM 
                 2208 
                 CA 
                 TYR 
                 A 
                 289 
                 26.496 
                 24.519 
                 20.674 
                 1.00 
                 47.59 
                 A 
               
               
                 ATOM 
                 2209 
                 CB 
                 TYR 
                 A 
                 289 
                 25.997 
                 23.126 
                 20.305 
                 1.00 
                 48.44 
                 A 
               
               
                 ATOM 
                 2210 
                 CG 
                 TYR 
                 A 
                 289 
                 26.224 
                 22.105 
                 21.393 
                 1.00 
                 51.30 
                 A 
               
               
                 ATOM 
                 2211 
                 CD1 
                 TYR 
                 A 
                 289 
                 25.700 
                 22.294 
                 22.674 
                 1.00 
                 51.82 
                 A 
               
               
                 ATOM 
                 2212 
                 CE1 
                 TYR 
                 A 
                 289 
                 25.937 
                 21.378 
                 23.688 
                 1.00 
                 53.60 
                 A 
               
               
                 ATOM 
                 2213 
                 CD2 
                 TYR 
                 A 
                 289 
                 26.988 
                 20.965 
                 21.155 
                 1.00 
                 50.81 
                 A 
               
               
                 ATOM 
                 2214 
                 CE2 
                 TYR 
                 A 
                 289 
                 27.230 
                 20.041 
                 22.162 
                 1.00 
                 53.45 
                 A 
               
               
                 ATOM 
                 2215 
                 CZ 
                 TYR 
                 A 
                 289 
                 26.702 
                 20.255 
                 23.426 
                 1.00 
                 53.78 
                 A 
               
               
                 ATOM 
                 2216 
                 OH 
                 TYR 
                 A 
                 289 
                 26.946 
                 19.346 
                 24.428 
                 1.00 
                 55.63 
                 A 
               
               
                 ATOM 
                 2217 
                 C 
                 TYR 
                 A 
                 289 
                 27.998 
                 24.496 
                 20.912 
                 1.00 
                 47.53 
                 A 
               
               
                 ATOM 
                 2218 
                 O 
                 TYR 
                 A 
                 289 
                 28.458 
                 24.476 
                 22.053 
                 1.00 
                 48.27 
                 A 
               
               
                 ATOM 
                 2219 
                 N 
                 HIS 
                 A 
                 290 
                 28.755 
                 24.505 
                 19.819 
                 1.00 
                 46.65 
                 A 
               
               
                 ATOM 
                 2220 
                 CA 
                 HIS 
                 A 
                 290 
                 30.214 
                 24.524 
                 19.871 
                 1.00 
                 45.99 
                 A 
               
               
                 ATOM 
                 2221 
                 CB 
                 HIS 
                 A 
                 290 
                 30.824 
                 23.263 
                 19.246 
                 1.00 
                 47.09 
                 A 
               
               
                 ATOM 
                 2222 
                 CG 
                 HIS 
                 A 
                 290 
                 30.663 
                 22.026 
                 20.070 
                 1.00 
                 47.66 
                 A 
               
               
                 ATOM 
                 2223 
                 CD2 
                 HIS 
                 A 
                 290 
                 30.004 
                 21.803 
                 21.231 
                 1.00 
                 48.23 
                 A 
               
               
                 ATOM 
                 2224 
                 ND1 
                 HIS 
                 A 
                 290 
                 31.203 
                 20.815 
                 19.697 
                 1.00 
                 48.48 
                 A 
               
               
                 ATOM 
                 2225 
                 CE1 
                 HIS 
                 A 
                 290 
                 30.880 
                 19.897 
                 20.592 
                 1.00 
                 48.01 
                 A 
               
               
                 ATOM 
                 2226 
                 NE2 
                 HIS 
                 A 
                 290 
                 30.152 
                 20.471 
                 21.532 
                 1.00 
                 47.65 
                 A 
               
               
                 ATOM 
                 2227 
                 C 
                 HIS 
                 A 
                 290 
                 30.695 
                 25.715 
                 19.061 
                 1.00 
                 46.29 
                 A 
               
               
                 ATOM 
                 2228 
                 O 
                 HIS 
                 A 
                 290 
                 30.152 
                 26.000 
                 17.986 
                 1.00 
                 45.19 
                 A 
               
               
                 ATOM 
                 2229 
                 N 
                 ILE 
                 A 
                 291 
                 31.708 
                 26.407 
                 19.573 
                 1.00 
                 44.93 
                 A 
               
               
                 ATOM 
                 2230 
                 CA 
                 ILE 
                 A 
                 291 
                 32.282 
                 27.548 
                 18.875 
                 1.00 
                 45.16 
                 A 
               
               
                 ATOM 
                 2231 
                 CB 
                 ILE 
                 A 
                 291 
                 31.889 
                 28.907 
                 19.524 
                 1.00 
                 45.11 
                 A 
               
               
                 ATOM 
                 2232 
                 CG2 
                 ILE 
                 A 
                 291 
                 30.417 
                 29.188 
                 19.301 
                 1.00 
                 43.33 
                 A 
               
               
                 ATOM 
                 2233 
                 CG1 
                 ILE 
                 A 
                 291 
                 32.243 
                 28.899 
                 21.019 
                 1.00 
                 45.59 
                 A 
               
               
                 ATOM 
                 2234 
                 CD1 
                 ILE 
                 A 
                 291 
                 32.186 
                 30.259 
                 21.675 
                 1.00 
                 45.30 
                 A 
               
               
                 ATOM 
                 2235 
                 C 
                 ILE 
                 A 
                 291 
                 33.798 
                 27.454 
                 18.879 
                 1.00 
                 45.61 
                 A 
               
               
                 ATOM 
                 2236 
                 O 
                 ILE 
                 A 
                 291 
                 34.387 
                 26.651 
                 19.602 
                 1.00 
                 47.34 
                 A 
               
               
                 ATOM 
                 2237 
                 N 
                 THR 
                 A 
                 292 
                 34.424 
                 28.291 
                 18.065 
                 1.00 
                 47.17 
                 A 
               
               
                 ATOM 
                 2238 
                 CA 
                 THR 
                 A 
                 292 
                 35.875 
                 28.341 
                 17.967 
                 1.00 
                 47.28 
                 A 
               
               
                 ATOM 
                 2239 
                 CB 
                 THR 
                 A 
                 292 
                 36.371 
                 27.755 
                 16.639 
                 1.00 
                 47.48 
                 A 
               
               
                 ATOM 
                 2240 
                 OG1 
                 THR 
                 A 
                 292 
                 35.993 
                 28.617 
                 15.555 
                 1.00 
                 44.68 
                 A 
               
               
                 ATOM 
                 2241 
                 CG2 
                 THR 
                 A 
                 292 
                 35.775 
                 26.374 
                 16.426 
                 1.00 
                 46.70 
                 A 
               
               
                 ATOM 
                 2242 
                 C 
                 THR 
                 A 
                 292 
                 36.212 
                 29.814 
                 18.001 
                 1.00 
                 47.83 
                 A 
               
               
                 ATOM 
                 2243 
                 O 
                 THR 
                 A 
                 292 
                 35.307 
                 30.644 
                 18.064 
                 1.00 
                 48.07 
                 A 
               
               
                 ATOM 
                 2244 
                 N 
                 ASP 
                 A 
                 293 
                 37.497 
                 30.149 
                 17.954 
                 1.00 
                 48.59 
                 A 
               
               
                 ATOM 
                 2245 
                 CA 
                 ASP 
                 A 
                 293 
                 37.883 
                 31.551 
                 17.982 
                 1.00 
                 48.64 
                 A 
               
               
                 ATOM 
                 2246 
                 CB 
                 ASP 
                 A 
                 293 
                 39.408 
                 31.705 
                 17.988 
                 1.00 
                 49.60 
                 A 
               
               
                 ATOM 
                 2247 
                 CG 
                 ASP 
                 A 
                 293 
                 40.045 
                 31.150 
                 19.249 
                 1.00 
                 50.84 
                 A 
               
               
                 ATOM 
                 2248 
                 OD1 
                 ASP 
                 A 
                 293 
                 39.394 
                 31.201 
                 20.317 
                 1.00 
                 52.13 
                 A 
               
               
                 ATOM 
                 2249 
                 OD2 
                 ASP 
                 A 
                 293 
                 41.200 
                 30.673 
                 19.176 
                 1.00 
                 51.40 
                 A 
               
               
                 ATOM 
                 2250 
                 C 
                 ASP 
                 A 
                 293 
                 37.299 
                 32.284 
                 16.784 
                 1.00 
                 48.56 
                 A 
               
               
                 ATOM 
                 2251 
                 O 
                 ASP 
                 A 
                 293 
                 37.058 
                 33.488 
                 16.851 
                 1.00 
                 49.15 
                 A 
               
               
                 ATOM 
                 2252 
                 N 
                 VAL 
                 A 
                 294 
                 37.070 
                 31.561 
                 15.689 
                 1.00 
                 47.81 
                 A 
               
               
                 ATOM 
                 2253 
                 CA 
                 VAL 
                 A 
                 294 
                 36.512 
                 32.179 
                 14.487 
                 1.00 
                 46.87 
                 A 
               
               
                 ATOM 
                 2254 
                 CB 
                 VAL 
                 A 
                 294 
                 36.140 
                 31.120 
                 13.418 
                 1.00 
                 47.55 
                 A 
               
               
                 ATOM 
                 2255 
                 CG1 
                 VAL 
                 A 
                 294 
                 35.346 
                 31.772 
                 12.291 
                 1.00 
                 47.30 
                 A 
               
               
                 ATOM 
                 2256 
                 CG2 
                 VAL 
                 A 
                 294 
                 37.409 
                 30.490 
                 12.847 
                 1.00 
                 47.74 
                 A 
               
               
                 ATOM 
                 2257 
                 C 
                 VAL 
                 A 
                 294 
                 35.272 
                 32.985 
                 14.843 
                 1.00 
                 45.87 
                 A 
               
               
                 ATOM 
                 2258 
                 O 
                 VAL 
                 A 
                 294 
                 35.123 
                 34.130 
                 14.416 
                 1.00 
                 46.94 
                 A 
               
               
                 ATOM 
                 2259 
                 N 
                 GLN 
                 A 
                 295 
                 34.389 
                 32.380 
                 15.629 
                 1.00 
                 45.48 
                 A 
               
               
                 ATOM 
                 2260 
                 CA 
                 GLN 
                 A 
                 295 
                 33.162 
                 33.035 
                 16.061 
                 1.00 
                 45.44 
                 A 
               
               
                 ATOM 
                 2261 
                 CB 
                 GLN 
                 A 
                 295 
                 32.190 
                 32.002 
                 16.647 
                 1.00 
                 45.04 
                 A 
               
               
                 ATOM 
                 2262 
                 CG 
                 GLN 
                 A 
                 295 
                 31.550 
                 31.080 
                 15.603 
                 1.00 
                 44.79 
                 A 
               
               
                 ATOM 
                 2263 
                 CD 
                 GLN 
                 A 
                 295 
                 32.555 
                 30.174 
                 14.906 
                 1.00 
                 45.62 
                 A 
               
               
                 ATOM 
                 2264 
                 OE1 
                 GLN 
                 A 
                 295 
                 32.408 
                 29.860 
                 13.720 
                 1.00 
                 44.71 
                 A 
               
               
                 ATOM 
                 2265 
                 NE2 
                 GLN 
                 A 
                 295 
                 33.576 
                 29.741 
                 15.642 
                 1.00 
                 42.80 
                 A 
               
               
                 ATOM 
                 2266 
                 C 
                 GLN 
                 A 
                 295 
                 33.472 
                 34.118 
                 17.096 
                 1.00 
                 45.66 
                 A 
               
               
                 ATOM 
                 2267 
                 O 
                 GLN 
                 A 
                 295 
                 32.840 
                 35.178 
                 17.109 
                 1.00 
                 44.55 
                 A 
               
               
                 ATOM 
                 2268 
                 N 
                 ARG 
                 A 
                 296 
                 34.449 
                 33.850 
                 17.960 
                 1.00 
                 45.23 
                 A 
               
               
                 ATOM 
                 2269 
                 CA 
                 ARG 
                 A 
                 296 
                 34.842 
                 34.819 
                 18.982 
                 1.00 
                 45.03 
                 A 
               
               
                 ATOM 
                 2270 
                 CB 
                 ARG 
                 A 
                 296 
                 35.964 
                 34.255 
                 19.862 
                 1.00 
                 44.33 
                 A 
               
               
                 ATOM 
                 2271 
                 CG 
                 ARG 
                 A 
                 296 
                 35.592 
                 32.952 
                 20.540 
                 1.00 
                 44.26 
                 A 
               
               
                 ATOM 
                 2272 
                 CD 
                 ARG 
                 A 
                 296 
                 36.126 
                 32.857 
                 21.970 
                 1.00 
                 45.12 
                 A 
               
               
                 ATOM 
                 2273 
                 NE 
                 ARG 
                 A 
                 296 
                 35.665 
                 31.624 
                 22.597 
                 1.00 
                 44.32 
                 A 
               
               
                 ATOM 
                 2274 
                 CZ 
                 ARG 
                 A 
                 296 
                 36.124 
                 30.419 
                 22.280 
                 1.00 
                 44.21 
                 A 
               
               
                 ATOM 
                 2275 
                 NH1 
                 ARG 
                 A 
                 296 
                 37.069 
                 30.292 
                 21.357 
                 1.00 
                 44.51 
                 A 
               
               
                 ATOM 
                 2276 
                 NH2 
                 ARG 
                 A 
                 296 
                 35.613 
                 29.341 
                 22.860 
                 1.00 
                 45.05 
                 A 
               
               
                 ATOM 
                 2277 
                 C 
                 ARG 
                 A 
                 296 
                 35.317 
                 36.091 
                 18.297 
                 1.00 
                 44.39 
                 A 
               
               
                 ATOM 
                 2278 
                 O 
                 ARG 
                 A 
                 296 
                 35.067 
                 37.202 
                 18.766 
                 1.00 
                 44.29 
                 A 
               
               
                 ATOM 
                 2279 
                 N 
                 GLY 
                 A 
                 297 
                 36.004 
                 35.917 
                 17.175 
                 1.00 
                 43.83 
                 A 
               
               
                 ATOM 
                 2280 
                 CA 
                 GLY 
                 A 
                 297 
                 36.494 
                 37.061 
                 16.436 
                 1.00 
                 44.22 
                 A 
               
               
                 ATOM 
                 2281 
                 C 
                 GLY 
                 A 
                 297 
                 35.372 
                 37.832 
                 15.766 
                 1.00 
                 45.50 
                 A 
               
               
                 ATOM 
                 2282 
                 O 
                 GLY 
                 A 
                 297 
                 35.370 
                 39.064 
                 15.771 
                 1.00 
                 46.22 
                 A 
               
               
                 ATOM 
                 2283 
                 N 
                 LEU 
                 A 
                 298 
                 34.417 
                 37.108 
                 15.188 
                 1.00 
                 45.75 
                 A 
               
               
                 ATOM 
                 2284 
                 CA 
                 LEU 
                 A 
                 298 
                 33.292 
                 37.732 
                 14.498 
                 1.00 
                 46.53 
                 A 
               
               
                 ATOM 
                 2285 
                 CB 
                 LEU 
                 A 
                 298 
                 32.402 
                 36.663 
                 13.848 
                 1.00 
                 45.17 
                 A 
               
               
                 ATOM 
                 2286 
                 CG 
                 LEU 
                 A 
                 298 
                 33.021 
                 35.931 
                 12.650 
                 1.00 
                 45.06 
                 A 
               
               
                 ATOM 
                 2287 
                 CD1 
                 LEU 
                 A 
                 298 
                 32.084 
                 34.824 
                 12.164 
                 1.00 
                 44.48 
                 A 
               
               
                 ATOM 
                 2288 
                 CD2 
                 LEU 
                 A 
                 298 
                 33.307 
                 36.932 
                 11.537 
                 1.00 
                 45.31 
                 A 
               
               
                 ATOM 
                 2289 
                 C 
                 LEU 
                 A 
                 298 
                 32.462 
                 38.602 
                 15.433 
                 1.00 
                 47.62 
                 A 
               
               
                 ATOM 
                 2290 
                 O 
                 LEU 
                 A 
                 298 
                 31.945 
                 39.646 
                 15.028 
                 1.00 
                 47.53 
                 A 
               
               
                 ATOM 
                 2291 
                 N 
                 LEU 
                 A 
                 299 
                 32.340 
                 38.171 
                 16.685 
                 1.00 
                 48.72 
                 A 
               
               
                 ATOM 
                 2292 
                 CA 
                 LEU 
                 A 
                 299 
                 31.580 
                 38.924 
                 17.667 
                 1.00 
                 50.18 
                 A 
               
               
                 ATOM 
                 2293 
                 CB 
                 LEU 
                 A 
                 299 
                 31.390 
                 38.090 
                 18.930 
                 1.00 
                 49.60 
                 A 
               
               
                 ATOM 
                 2294 
                 CG 
                 LEU 
                 A 
                 299 
                 30.350 
                 36.975 
                 18.807 
                 1.00 
                 48.08 
                 A 
               
               
                 ATOM 
                 2295 
                 CD1 
                 LEU 
                 A 
                 299 
                 30.486 
                 36.019 
                 19.974 
                 1.00 
                 47.37 
                 A 
               
               
                 ATOM 
                 2296 
                 CD2 
                 LEU 
                 A 
                 299 
                 28.953 
                 37.573 
                 18.765 
                 1.00 
                 48.29 
                 A 
               
               
                 ATOM 
                 2297 
                 C 
                 LEU 
                 A 
                 299 
                 32.240 
                 40.260 
                 18.004 
                 1.00 
                 51.67 
                 A 
               
               
                 ATOM 
                 2298 
                 O 
                 LEU 
                 A 
                 299 
                 31.550 
                 41.240 
                 18.282 
                 1.00 
                 51.55 
                 A 
               
               
                 ATOM 
                 2299 
                 N 
                 LYS 
                 A 
                 300 
                 33.572 
                 40.303 
                 17.970 
                 1.00 
                 53.35 
                 A 
               
               
                 ATOM 
                 2300 
                 CA 
                 LYS 
                 A 
                 300 
                 34.304 
                 41.537 
                 18.263 
                 1.00 
                 53.76 
                 A 
               
               
                 ATOM 
                 2301 
                 CB 
                 LYS 
                 A 
                 300 
                 35.794 
                 41.265 
                 18.493 
                 1.00 
                 54.63 
                 A 
               
               
                 ATOM 
                 2302 
                 CG 
                 LYS 
                 A 
                 300 
                 36.147 
                 40.439 
                 19.703 
                 1.00 
                 56.78 
                 A 
               
               
                 ATOM 
                 2303 
                 CD 
                 LYS 
                 A 
                 300 
                 37.663 
                 40.361 
                 19.835 
                 1.00 
                 58.59 
                 A 
               
               
                 ATOM 
                 2304 
                 CE 
                 LYS 
                 A 
                 300 
                 38.091 
                 39.473 
                 20.991 
                 1.00 
                 60.33 
                 A 
               
               
                 ATOM 
                 2305 
                 NZ 
                 LYS 
                 A 
                 300 
                 39.558 
                 39.580 
                 21.244 
                 1.00 
                 61.89 
                 A 
               
               
                 ATOM 
                 2306 
                 C 
                 LYS 
                 A 
                 300 
                 34.192 
                 42.492 
                 17.086 
                 1.00 
                 53.47 
                 A 
               
               
                 ATOM 
                 2307 
                 O 
                 LYS 
                 A 
                 300 
                 34.072 
                 43.705 
                 17.259 
                 1.00 
                 54.79 
                 A 
               
               
                 ATOM 
                 2308 
                 N 
                 ALA 
                 A 
                 301 
                 34.241 
                 41.933 
                 15.885 
                 1.00 
                 51.85 
                 A 
               
               
                 ATOM 
                 2309 
                 CA 
                 ALA 
                 A 
                 301 
                 34.172 
                 42.729 
                 14.669 
                 1.00 
                 50.07 
                 A 
               
               
                 ATOM 
                 2310 
                 CB 
                 ALA 
                 A 
                 301 
                 34.698 
                 41.913 
                 13.495 
                 1.00 
                 50.60 
                 A 
               
               
                 ATOM 
                 2311 
                 C 
                 ALA 
                 A 
                 301 
                 32.791 
                 43.272 
                 14.332 
                 1.00 
                 49.04 
                 A 
               
               
                 ATOM 
                 2312 
                 O 
                 ALA 
                 A 
                 301 
                 32.672 
                 44.404 
                 13.855 
                 1.00 
                 48.99 
                 A 
               
               
                 ATOM 
                 2313 
                 N 
                 PHE 
                 A 
                 302 
                 31.750 
                 42.479 
                 14.583 
                 1.00 
                 47.91 
                 A 
               
               
                 ATOM 
                 2314 
                 CA 
                 PHE 
                 A 
                 302 
                 30.391 
                 42.895 
                 14.244 
                 1.00 
                 46.87 
                 A 
               
               
                 ATOM 
                 2315 
                 CB 
                 PHE 
                 A 
                 302 
                 29.775 
                 41.920 
                 13.229 
                 1.00 
                 45.69 
                 A 
               
               
                 ATOM 
                 2316 
                 CG 
                 PHE 
                 A 
                 302 
                 30.542 
                 41.819 
                 11.943 
                 1.00 
                 41.83 
                 A 
               
               
                 ATOM 
                 2317 
                 CD1 
                 PHE 
                 A 
                 302 
                 31.567 
                 40.890 
                 11.801 
                 1.00 
                 41.69 
                 A 
               
               
                 ATOM 
                 2318 
                 CD2 
                 PHE 
                 A 
                 302 
                 30.256 
                 42.672 
                 10.881 
                 1.00 
                 42.51 
                 A 
               
               
                 ATOM 
                 2319 
                 CE1 
                 PHE 
                 A 
                 302 
                 32.298 
                 40.813 
                 10.620 
                 1.00 
                 40.43 
                 A 
               
               
                 ATOM 
                 2320 
                 CE2 
                 PHE 
                 A 
                 302 
                 30.982 
                 42.603 
                 9.693 
                 1.00 
                 40.70 
                 A 
               
               
                 ATOM 
                 2321 
                 CZ 
                 PHE 
                 A 
                 302 
                 32.004 
                 41.675 
                 9.562 
                 1.00 
                 41.10 
                 A 
               
               
                 ATOM 
                 2322 
                 C 
                 PHE 
                 A 
                 302 
                 29.418 
                 43.061 
                 15.398 
                 1.00 
                 47.58 
                 A 
               
               
                 ATOM 
                 2323 
                 O 
                 PHE 
                 A 
                 302 
                 28.303 
                 43.536 
                 15.198 
                 1.00 
                 47.34 
                 A 
               
               
                 ATOM 
                 2324 
                 N 
                 ASP 
                 A 
                 303 
                 29.817 
                 42.668 
                 16.600 
                 1.00 
                 48.39 
                 A 
               
               
                 ATOM 
                 2325 
                 CA 
                 ASP 
                 A 
                 303 
                 28.919 
                 42.807 
                 17.738 
                 1.00 
                 49.75 
                 A 
               
               
                 ATOM 
                 2326 
                 CB 
                 ASP 
                 A 
                 303 
                 28.481 
                 41.423 
                 18.224 
                 1.00 
                 48.37 
                 A 
               
               
                 ATOM 
                 2327 
                 CG 
                 ASP 
                 A 
                 303 
                 27.185 
                 41.462 
                 18.998 
                 1.00 
                 47.54 
                 A 
               
               
                 ATOM 
                 2328 
                 OD1 
                 ASP 
                 A 
                 303 
                 26.215 
                 42.066 
                 18.497 
                 1.00 
                 47.88 
                 A 
               
               
                 ATOM 
                 2329 
                 OD2 
                 ASP 
                 A 
                 303 
                 27.126 
                 40.879 
                 20.100 
                 1.00 
                 49.46 
                 A 
               
               
                 ATOM 
                 2330 
                 C 
                 ASP 
                 A 
                 303 
                 29.581 
                 43.589 
                 18.874 
                 1.00 
                 50.31 
                 A 
               
               
                 ATOM 
                 2331 
                 O 
                 ASP 
                 A 
                 303 
                 29.661 
                 43.050 
                 19.995 
                 1.00 
                 51.55 
                 A 
               
               
                 ATOM 
                 2332 
                 OXT 
                 ASP 
                 A 
                 303 
                 30.012 
                 44.737 
                 18.627 
                 1.00 
                 51.61 
                 A 
               
               
                 ATOM 
                 2333 
                 MG + 2 
                 MG2 
                 A 
                 1 
                 19.221 
                 25.308 
                 7.555 
                 1.00 
                 43.67 
                 M 
               
               
                 ATOM 
                 2334 
                 PA 
                 GSP 
                 A 
                 1 
                 19.534 
                 27.534 
                 3.619 
                 1.00 
                 40.67 
                 G 
               
               
                 ATOM 
                 2335 
                 O1A 
                 GSP 
                 A 
                 1 
                 19.609 
                 28.204 
                 2.288 
                 1.00 
                 39.03 
                 G 
               
               
                 ATOM 
                 2336 
                 O2A 
                 GSP 
                 A 
                 1 
                 20.362 
                 26.298 
                 3.674 
                 1.00 
                 39.43 
                 G 
               
               
                 ATOM 
                 2337 
                 O3A 
                 GSP 
                 A 
                 1 
                 18.121 
                 27.257 
                 4.002 
                 1.00 
                 42.12 
                 G 
               
               
                 ATOM 
                 2338 
                 O1B 
                 GSP 
                 A 
                 1 
                 20.124 
                 28.585 
                 4.679 
                 1.00 
                 40.27 
                 G 
               
               
                 ATOM 
                 2339 
                 PB 
                 GSP 
                 A 
                 1 
                 20.529 
                 28.366 
                 6.198 
                 1.00 
                 40.45 
                 G 
               
               
                 ATOM 
                 2340 
                 O2B 
                 GSP 
                 A 
                 1 
                 20.225 
                 29.576 
                 7.030 
                 1.00 
                 40.45 
                 G 
               
               
                 ATOM 
                 2341 
                 O3B 
                 GSP 
                 A 
                 1 
                 19.816 
                 27.203 
                 6.821 
                 1.00 
                 40.17 
                 G 
               
               
                 ATOM 
                 2342 
                 S1 
                 GSP 
                 A 
                 1 
                 22.118 
                 28.106 
                 6.368 
                 1.00 
                 46.86 
                 G 
               
               
                 ATOM 
                 2343 
                 C1 
                 GSP 
                 A 
                 1 
                 22.785 
                 28.278 
                 7.611 
                 1.00 
                 48.16 
                 G 
               
               
                 ATOM 
                 2344 
                 C2 
                 GSP 
                 A 
                 1 
                 23.948 
                 27.320 
                 7.744 
                 1.00 
                 48.30 
                 G 
               
               
                 ATOM 
                 2345 
                 C3 
                 GSP 
                 A 
                 1 
                 25.237 
                 27.674 
                 7.899 
                 1.00 
                 48.85 
                 G 
               
               
                 ATOM 
                 2346 
                 C10 
                 GSP 
                 A 
                 1 
                 25.862 
                 28.840 
                 7.172 
                 1.00 
                 48.34 
                 G 
               
               
                 ATOM 
                 2347 
                 C4 
                 GSP 
                 A 
                 1 
                 26.165 
                 26.878 
                 8.794 
                 1.00 
                 49.42 
                 G 
               
               
                 ATOM 
                 2348 
                 C5 
                 GSP 
                 A 
                 1 
                 27.559 
                 27.525 
                 8.868 
                 1.00 
                 51.23 
                 G 
               
               
                 ATOM 
                 2349 
                 C6 
                 GSP 
                 A 
                 1 
                 28.644 
                 26.503 
                 9.103 
                 1.00 
                 53.24 
                 G 
               
               
                 ATOM 
                 2350 
                 C7 
                 GSP 
                 A 
                 1 
                 29.414 
                 26.374 
                 10.200 
                 1.00 
                 53.60 
                 G 
               
               
                 ATOM 
                 2351 
                 C9 
                 GSP 
                 A 
                 1 
                 30.505 
                 27.374 
                 10.507 
                 1.00 
                 54.65 
                 G 
               
               
                 ATOM 
                 2352 
                 C8 
                 GSP 
                 A 
                 1 
                 29.296 
                 25.257 
                 11.211 
                 1.00 
                 55.35 
                 G 
               
               
                 ATOM 
                 2353 
                 C1 
                 DH2 
                 A 
                 1 
                 26.153 
                 31.881 
                 8.710 
                 1.00 
                 65.18 
                 D 
               
               
                 ATOM 
                 2354 
                 C2 
                 DH2 
                 A 
                 1 
                 24.959 
                 31.390 
                 9.301 
                 1.00 
                 65.39 
                 D 
               
               
                 ATOM 
                 2355 
                 C3 
                 DH2 
                 A 
                 1 
                 25.028 
                 30.627 
                 10.451 
                 1.00 
                 66.41 
                 D 
               
               
                 ATOM 
                 2356 
                 C4 
                 DH2 
                 A 
                 1 
                 26.279 
                 30.324 
                 11.055 
                 1.00 
                 66.26 
                 D 
               
               
                 ATOM 
                 2357 
                 C5 
                 DH2 
                 A 
                 1 
                 27.435 
                 30.796 
                 10.488 
                 1.00 
                 66.06 
                 D 
               
               
                 ATOM 
                 2358 
                 C6 
                 DH2 
                 A 
                 1 
                 28.585 
                 32.099 
                 8.675 
                 1.00 
                 64.51 
                 D 
               
               
                 ATOM 
                 2359 
                 C7 
                 DH2 
                 A 
                 1 
                 27.251 
                 33.138 
                 6.948 
                 1.00 
                 63.33 
                 D 
               
               
                 ATOM 
                 2360 
                 C8 
                 DH2 
                 A 
                 1 
                 26.099 
                 32.663 
                 7.525 
                 1.00 
                 63.43 
                 D 
               
               
                 ATOM 
                 2361 
                 O1 
                 DH2 
                 A 
                 1 
                 29.857 
                 31.880 
                 9.155 
                 1.00 
                 65.00 
                 D 
               
               
                 ATOM 
                 2362 
                 O2 
                 DH2 
                 A 
                 1 
                 23.839 
                 30.179 
                 10.983 
                 1.00 
                 66.99 
                 D 
               
               
                 ATOM 
                 2363 
                 C9 
                 DH2 
                 A 
                 1 
                 28.509 
                 32.861 
                 7.519 
                 1.00 
                 64.14 
                 D 
               
               
                 ATOM 
                 2364 
                 C10 
                 DH2 
                 A 
                 1 
                 27.409 
                 31.584 
                 9.306 
                 1.00 
                 65.41 
                 D 
               
               
                 ATOM 
                 2365 
                 N 
                 NO3 
                 A 
                 1 
                 42.060 
                 34.777 
                 −5.122 
                 1.00 
                 69.01 
                 N 
               
               
                 ATOM 
                 2366 
                 O1 
                 NO3 
                 A 
                 1 
                 41.197 
                 34.277 
                 −5.872 
                 1.00 
                 69.03 
                 N 
               
               
                 ATOM 
                 2367 
                 O2 
                 NO3 
                 A 
                 1 
                 41.725 
                 35.701 
                 −4.452 
                 1.00 
                 68.04 
                 N 
               
               
                 ATOM 
                 2368 
                 O3 
                 NO3 
                 A 
                 1 
                 43.135 
                 34.230 
                 −5.061 
                 1.00 
                 68.81 
                 N 
               
               
                 ATOM 
                 2369 
                 OH2 
                 TIP 
                 A 
                 1 
                 30.490 
                 35.181 
                 26.300 
                 1.00 
                 65.42 
                 W 
               
               
                 ATOM 
                 2370 
                 OH2 
                 TIP 
                 A 
                 2 
                 36.852 
                 21.356 
                 11.220 
                 1.00 
                 62.71 
                 W 
               
               
                 ATOM 
                 2371 
                 OH2 
                 TIP 
                 A 
                 3 
                 13.275 
                 6.277 
                 5.899 
                 1.00 
                 52.03 
                 W 
               
               
                 ATOM 
                 2372 
                 OH2 
                 TIP 
                 A 
                 4 
                 39.421 
                 26.056 
                 19.137 
                 1.00 
                 55.68 
                 W 
               
               
                 ATOM 
                 2373 
                 OH2 
                 TIP 
                 A 
                 5 
                 29.221 
                 47.052 
                 19.171 
                 1.00 
                 51.85 
                 W 
               
               
                 ATOM 
                 2374 
                 OH2 
                 TIP 
                 A 
                 6 
                 25.560 
                 30.322 
                 10.756 
                 1.00 
                 97.83 
                 W 
               
               
                 ATOM 
                 2375 
                 OH2 
                 TIP 
                 A 
                 7 
                 23.552 
                 52.697 
                 −2.797 
                 1.00 
                 48.74 
                 W 
               
               
                 ATOM 
                 2376 
                 OH2 
                 TIP 
                 A 
                 8 
                 15.783 
                 28.067 
                 4.579 
                 1.00 
                 42.75 
                 W 
               
               
                 ATOM 
                 2377 
                 OH2 
                 TIP 
                 A 
                 9 
                 35.855 
                 25.568 
                 −13.555 
                 1.00 
                 79.37 
                 W 
               
               
                 ATOM 
                 2378 
                 OH2 
                 TIP 
                 A 
                 10 
                 36.538 
                 42.420 
                 −0.112 
                 1.00 
                 49.25 
                 W 
               
               
                 ATOM 
                 2379 
                 OH2 
                 TIP 
                 A 
                 11 
                 23.745 
                 35.145 
                 24.150 
                 1.00 
                 53.80 
                 W 
               
               
                 ATOM 
                 2380 
                 OH2 
                 TIP 
                 A 
                 12 
                 19.673 
                 51.064 
                 6.990 
                 1.00 
                 47.69 
                 W 
               
               
                 ATOM 
                 2381 
                 OH2 
                 TIP 
                 A 
                 13 
                 27.368 
                 30.522 
                 28.673 
                 1.00 
                 65.03 
                 W 
               
               
                 ATOM 
                 2382 
                 OH2 
                 TIP 
                 A 
                 14 
                 32.186 
                 14.701 
                 −3.539 
                 1.00 
                 56.64 
                 W 
               
               
                 ATOM 
                 2383 
                 OH2 
                 TIP 
                 A 
                 15 
                 24.460 
                 14.475 
                 −13.361 
                 1.00 
                 59.07 
                 W 
               
               
                 ATOM 
                 2384 
                 OH2 
                 TIP 
                 A 
                 16 
                 40.585 
                 17.057 
                 1.471 
                 1.00 
                 59.15 
                 W 
               
               
                 ATOM 
                 2385 
                 OH2 
                 TIP 
                 A 
                 17 
                 17.913 
                 13.365 
                 −5.351 
                 1.00 
                 45.07 
                 W 
               
               
                 ATOM 
                 2386 
                 OH2 
                 TIP 
                 A 
                 18 
                 15.723 
                 27.642 
                 7.214 
                 1.00 
                 47.54 
                 W 
               
               
                 ATOM 
                 2387 
                 OH2 
                 TIP 
                 A 
                 19 
                 22.263 
                 7.047 
                 −6.225 
                 1.00 
                 59.29 
                 W 
               
               
                 ATOM 
                 2388 
                 OH2 
                 TIP 
                 A 
                 20 
                 19.969 
                 29.141 
                 −17.580 
                 1.00 
                 67.73 
                 W 
               
               
                 ATOM 
                 2389 
                 OH2 
                 TIP 
                 A 
                 21 
                 21.634 
                 48.493 
                 12.171 
                 1.00 
                 47.20 
                 W 
               
               
                 ATOM 
                 2390 
                 OH2 
                 TIP 
                 A 
                 22 
                 18.106 
                 22.881 
                 −16.847 
                 1.00 
                 50.83 
                 W 
               
               
                 ATOM 
                 2391 
                 OH2 
                 TIP 
                 A 
                 23 
                 29.495 
                 40.536 
                 21.854 
                 1.00 
                 60.58 
                 W 
               
               
                 ATOM 
                 2392 
                 OH2 
                 TIP 
                 A 
                 24 
                 36.302 
                 27.268 
                 13.132 
                 1.00 
                 55.92 
                 W 
               
               
                 ATOM 
                 2393 
                 OH2 
                 TIP 
                 A 
                 25 
                 29.732 
                 35.121 
                 4.882 
                 1.00 
                 50.52 
                 W 
               
               
                 ATOM 
                 2394 
                 OH2 
                 TIP 
                 A 
                 26 
                 45.475 
                 29.946 
                 0.240 
                 1.00 
                 44.34 
                 W 
               
               
                 ATOM 
                 2395 
                 OH2 
                 TIP 
                 A 
                 27 
                 15.795 
                 10.968 
                 19.889 
                 1.00 
                 77.54 
                 W 
               
               
                 ATOM 
                 2396 
                 OH2 
                 TIP 
                 A 
                 28 
                 14.431 
                 30.709 
                 −8.734 
                 1.00 
                 39.58 
                 W 
               
               
                 ATOM 
                 2397 
                 OH2 
                 TIP 
                 A 
                 29 
                 13.313 
                 28.671 
                 −1.901 
                 1.00 
                 44.66 
                 W 
               
               
                 ATOM 
                 2398 
                 OH2 
                 TIP 
                 A 
                 30 
                 27.440 
                 52.388 
                 8.029 
                 1.00 
                 60.67 
                 W 
               
               
                 ATOM 
                 2399 
                 OH2 
                 TIP 
                 A 
                 31 
                 42.559 
                 22.415 
                 4.064 
                 1.00 
                 53.62 
                 W 
               
               
                 ATOM 
                 2400 
                 OH2 
                 TIP 
                 A 
                 32 
                 20.941 
                 43.226 
                 24.809 
                 1.00 
                 55.10 
                 W 
               
               
                 ATOM 
                 2401 
                 OH2 
                 TIP 
                 A 
                 33 
                 33.359 
                 44.497 
                 −2.388 
                 1.00 
                 58.45 
                 W 
               
               
                 ATOM 
                 2402 
                 OH2 
                 TIP 
                 A 
                 34 
                 31.147 
                 53.165 
                 −0.332 
                 1.00 
                 46.23 
                 W 
               
               
                 ATOM 
                 2403 
                 OH2 
                 TIP 
                 A 
                 35 
                 12.356 
                 25.536 
                 1.697 
                 1.00 
                 64.15 
                 W 
               
               
                 ATOM 
                 2404 
                 OH2 
                 TIP 
                 A 
                 36 
                 35.138 
                 10.636 
                 12.652 
                 1.00 
                 61.46 
                 W 
               
               
                 ATOM 
                 2405 
                 OH2 
                 TIP 
                 A 
                 37 
                 15.020 
                 50.521 
                 −4.580 
                 1.00 
                 40.30 
                 W 
               
               
                 ATOM 
                 2406 
                 OH2 
                 TIP 
                 A 
                 38 
                 9.781 
                 27.922 
                 21.238 
                 1.00 
                 68.26 
                 W 
               
               
                 ATOM 
                 2407 
                 OH2 
                 TIP 
                 A 
                 39 
                 41.691 
                 22.533 
                 −2.565 
                 1.00 
                 54.13 
                 W 
               
               
                 ATOM 
                 2408 
                 OH2 
                 TIP 
                 A 
                 40 
                 20.666 
                 45.859 
                 15.289 
                 1.00 
                 70.16 
                 W 
               
               
                 ATOM 
                 2409 
                 OH2 
                 TIP 
                 A 
                 41 
                 34.363 
                 37.353 
                 21.374 
                 1.00 
                 53.19 
                 W 
               
               
                 ATOM 
                 2410 
                 OH2 
                 TIP 
                 A 
                 42 
                 26.734 
                 5.871 
                 −6.191 
                 1.00 
                 45.50 
                 W 
               
               
                 ATOM 
                 2411 
                 OH2 
                 TIP 
                 A 
                 43 
                 10.365 
                 49.794 
                 12.437 
                 1.00 
                 50.70 
                 W 
               
               
                 ATOM 
                 2412 
                 OH2 
                 TIP 
                 A 
                 44 
                 34.543 
                 29.704 
                 9.768 
                 1.00 
                 55.92 
                 W 
               
               
                 ATOM 
                 2413 
                 OH2 
                 TIP 
                 A 
                 45 
                 40.376 
                 31.076 
                 6.686 
                 1.00 
                 58.22 
                 W 
               
               
                 ATOM 
                 2414 
                 OH2 
                 TIP 
                 A 
                 46 
                 34.553 
                 5.913 
                 23.858 
                 1.00 
                 71.52 
                 W 
               
               
                 ATOM 
                 2415 
                 OH2 
                 TIP 
                 A 
                 47 
                 14.200 
                 27.005 
                 5.946 
                 1.00 
                 53.11 
                 W 
               
               
                 ATOM 
                 2416 
                 OH2 
                 TIP 
                 A 
                 48 
                 42.976 
                 30.424 
                 −5.522 
                 1.00 
                 44.67 
                 W 
               
               
                 ATOM 
                 2417 
                 OH2 
                 TIP 
                 A 
                 49 
                 31.686 
                 41.102 
                 21.600 
                 1.00 
                 49.60 
                 W 
               
               
                 ATOM 
                 2418 
                 OH2 
                 TIP 
                 A 
                 50 
                 37.985 
                 29.637 
                 6.203 
                 1.00 
                 60.32 
                 W 
               
               
                 ATOM 
                 2419 
                 OH2 
                 TIP 
                 A 
                 51 
                 16.521 
                 36.553 
                 −8.898 
                 1.00 
                 49.77 
                 W 
               
               
                 ATOM 
                 2420 
                 OH2 
                 TIP 
                 A 
                 52 
                 31.859 
                 17.997 
                 −13.734 
                 1.00 
                 53.29 
                 W 
               
               
                 ATOM 
                 2421 
                 OH2 
                 TIP 
                 A 
                 53 
                 27.801 
                 29.505 
                 30.891 
                 1.00 
                 49.38 
                 W 
               
               
                 ATOM 
                 2422 
                 OH2 
                 TIP 
                 A 
                 54 
                 4.648 
                 43.961 
                 2.873 
                 1.00 
                 57.90 
                 W 
               
               
                 ATOM 
                 2423 
                 OH2 
                 TIP 
                 A 
                 55 
                 18.093 
                 43.972 
                 14.582 
                 1.00 
                 66.29 
                 W 
               
               
                 ATOM 
                 2424 
                 OH2 
                 TIP 
                 A 
                 56 
                 32.762 
                 25.967 
                 29.911 
                 1.00 
                 57.94 
                 W 
               
               
                 ATOM 
                 2425 
                 OH2 
                 TIP 
                 A 
                 57 
                 6.942 
                 34.079 
                 7.083 
                 1.00 
                 48.37 
                 W 
               
               
                 ATOM 
                 2426 
                 OH2 
                 TIP 
                 A 
                 58 
                 43.391 
                 12.772 
                 6.133 
                 1.00 
                 61.46 
                 W 
               
               
                 ATOM 
                 2427 
                 OH2 
                 TIP 
                 A 
                 59 
                 8.265 
                 49.640 
                 −10.664 
                 1.00 
                 59.37 
                 W 
               
               
                 ATOM 
                 2428 
                 OH2 
                 TIP 
                 A 
                 60 
                 6.971 
                 18.923 
                 10.395 
                 1.00 
                 62.11 
                 W 
               
               
                 ATOM 
                 2429 
                 OH2 
                 TIP 
                 A 
                 61 
                 12.616 
                 28.504 
                 1.451 
                 1.00 
                 57.01 
                 W 
               
               
                 ATOM 
                 2430 
                 OH2 
                 TIP 
                 A 
                 62 
                 25.673 
                 48.908 
                 −3.608 
                 1.00 
                 48.26 
                 W 
               
               
                 ATOM 
                 2431 
                 OH2 
                 TIP 
                 A 
                 63 
                 11.864 
                 30.819 
                 −2.529 
                 1.00 
                 57.25 
                 W 
               
               
                 ATOM 
                 2432 
                 OH2 
                 TIP 
                 A 
                 64 
                 23.756 
                 43.583 
                 −16.811 
                 1.00 
                 53.58 
                 W 
               
               
                 ATOM 
                 2433 
                 OH2 
                 TIP 
                 A 
                 65 
                 14.207 
                 19.466 
                 0.982 
                 1.00 
                 52.77 
                 W 
               
               
                 ATOM 
                 2434 
                 OH2 
                 TIP 
                 A 
                 66 
                 2.064 
                 35.531 
                 −8.984 
                 1.00 
                 67.76 
                 W 
               
               
                 ATOM 
                 2435 
                 OH2 
                 TIP 
                 A 
                 67 
                 27.154 
                 45.880 
                 16.535 
                 1.00 
                 61.40 
                 W 
               
               
                 ATOM 
                 2436 
                 OH2 
                 TIP 
                 A 
                 68 
                 29.710 
                 31.367 
                 12.036 
                 1.00 
                 54.10 
                 W 
               
               
                 ATOM 
                 2437 
                 OH2 
                 TIP 
                 A 
                 69 
                 37.562 
                 26.637 
                 4.885 
                 1.00 
                 84.16 
                 W 
               
               
                 ATOM 
                 2438 
                 OH2 
                 TIP 
                 A 
                 70 
                 16.121 
                 18.617 
                 −9.991 
                 1.00 
                 46.09 
                 W 
               
               
                 ATOM 
                 2439 
                 OH2 
                 TIP 
                 A 
                 1 
                 28.748 
                 17.651 
                 −3.973 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2440 
                 OH2 
                 TIP 
                 A 
                 2 
                 40.158 
                 21.998 
                 7.668 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2441 
                 OH2 
                 TIP 
                 A 
                 3 
                 20.062 
                 48.816 
                 5.351 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2442 
                 OH2 
                 TIP 
                 A 
                 4 
                 24.944 
                 5.885 
                 −0.742 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2443 
                 OH2 
                 TIP 
                 A 
                 5 
                 30.688 
                 25.005 
                 −4.289 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2444 
                 OH2 
                 TIP 
                 A 
                 6 
                 19.073 
                 30.215 
                 −9.776 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2445 
                 OH2 
                 TIP 
                 A 
                 7 
                 18.367 
                 30.661 
                 2.655 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2446 
                 OH2 
                 TIP 
                 A 
                 8 
                 19.367 
                 32.272 
                 0.565 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2447 
                 OH2 
                 TIP 
                 A 
                 9 
                 29.275 
                 23.177 
                 −0.801 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2448 
                 OH2 
                 TIP 
                 A 
                 10 
                 30.926 
                 16.038 
                 −5.142 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2449 
                 OH2 
                 TIP 
                 A 
                 11 
                 34.325 
                 28.514 
                 11.449 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2450 
                 OH2 
                 TIP 
                 A 
                 12 
                 21.383 
                 27.492 
                 −13.294 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2451 
                 OH2 
                 TIP 
                 A 
                 13 
                 22.108 
                 28.693 
                 11.655 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2452 
                 OH2 
                 TIP 
                 A 
                 14 
                 18.252 
                 23.094 
                 −9.262 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2453 
                 OH2 
                 TIP 
                 A 
                 15 
                 18.047 
                 20.583 
                 −11.156 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2454 
                 OH2 
                 TIP 
                 A 
                 16 
                 17.057 
                 52.115 
                 −4.118 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2455 
                 OH2 
                 TIP 
                 A 
                 17 
                 22.954 
                 25.044 
                 −0.471 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2456 
                 OH2 
                 TIP 
                 A 
                 18 
                 30.914 
                 51.700 
                 1.620 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2457 
                 OH2 
                 TIP 
                 A 
                 19 
                 18.868 
                 45.761 
                 14.958 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2458 
                 OH2 
                 TIP 
                 A 
                 20 
                 11.192 
                 43.417 
                 6.627 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2459 
                 OH2 
                 TIP 
                 A 
                 21 
                 21.395 
                 33.255 
                 9.085 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2460 
                 OH2 
                 TIP 
                 A 
                 22 
                 31.566 
                 40.059 
                 −1.449 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2461 
                 OH2 
                 TIP 
                 A 
                 23 
                 26.608 
                 40.843 
                 12.469 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2462 
                 OH2 
                 TIP 
                 A 
                 24 
                 10.882 
                 49.731 
                 3.097 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2463 
                 OH2 
                 TIP 
                 A 
                 25 
                 24.112 
                 6.394 
                 −4.916 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2464 
                 OH2 
                 TIP 
                 A 
                 26 
                 20.065 
                 29.530 
                 9.976 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2465 
                 OH2 
                 TIP 
                 A 
                 27 
                 26.915 
                 45.385 
                 9.401 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2466 
                 OH2 
                 TIP 
                 A 
                 28 
                 16.232 
                 36.475 
                 12.662 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2467 
                 OH2 
                 TIP 
                 A 
                 29 
                 17.678 
                 25.766 
                 6.317 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2468 
                 OH2 
                 TIP 
                 A 
                 30 
                 20.570 
                 25.957 
                 0.315 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2469 
                 OH2 
                 TIP 
                 A 
                 31 
                 8.561 
                 24.058 
                 9.246 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2470 
                 OH2 
                 TIP 
                 A 
                 32 
                 20.329 
                 24.123 
                 6.075 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2471 
                 OH2 
                 TIP 
                 A 
                 33 
                 25.927 
                 42.053 
                 15.359 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2472 
                 OH2 
                 TIP 
                 A 
                 34 
                 33.530 
                 38.867 
                 −7.089 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2473 
                 OH2 
                 TIP 
                 A 
                 35 
                 35.591 
                 12.620 
                 10.017 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2474 
                 OH2 
                 TIP 
                 A 
                 36 
                 31.225 
                 41.351 
                 6.010 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2475 
                 OH2 
                 TIP 
                 A 
                 37 
                 22.123 
                 24.472 
                 11.325 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2476 
                 OH2 
                 TIP 
                 A 
                 38 
                 28.087 
                 29.403 
                 −13.302 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2477 
                 OH2 
                 TIP 
                 A 
                 39 
                 34.560 
                 12.999 
                 5.277 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2478 
                 OH2 
                 TIP 
                 A 
                 40 
                 9.465 
                 48.542 
                 10.702 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2479 
                 OH2 
                 TIP 
                 A 
                 41 
                 12.503 
                 38.149 
                 20.364 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2480 
                 OH2 
                 TIP 
                 A 
                 42 
                 7.420 
                 41.639 
                 10.909 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2481 
                 OH2 
                 TIP 
                 A 
                 43 
                 35.680 
                 12.866 
                 7.902 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2482 
                 OH2 
                 TIP 
                 A 
                 44 
                 39.502 
                 27.931 
                 18.775 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2483 
                 OH2 
                 TIP 
                 A 
                 45 
                 21.146 
                 25.021 
                 8.714 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2484 
                 OH2 
                 TIP 
                 A 
                 46 
                 30.337 
                 39.275 
                 −10.268 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2485 
                 OH2 
                 TIP 
                 A 
                 47 
                 18.733 
                 12.572 
                 4.205 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2486 
                 OH2 
                 TIP 
                 A 
                 48 
                 8.456 
                 43.720 
                 10.493 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2487 
                 OH2 
                 TIP 
                 A 
                 49 
                 21.738 
                 21.295 
                 7.389 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2488 
                 OH2 
                 TIP 
                 A 
                 50 
                 20.445 
                 28.671 
                 −16.154 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2489 
                 OH2 
                 TIP 
                 A 
                 51 
                 22.600 
                 12.989 
                 −4.498 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2490 
                 OH2 
                 TIP 
                 A 
                 52 
                 36.376 
                 34.961 
                 13.547 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2491 
                 OH2 
                 TIP 
                 A 
                 53 
                 42.964 
                 28.274 
                 −7.367 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2492 
                 OH2 
                 TIP 
                 A 
                 54 
                 17.026 
                 16.386 
                 5.402 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2493 
                 OH2 
                 TIP 
                 A 
                 55 
                 20.135 
                 54.487 
                 2.295 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2494 
                 OH2 
                 TIP 
                 A 
                 56 
                 30.869 
                 37.274 
                 6.313 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2495 
                 OH2 
                 TIP 
                 A 
                 57 
                 33.853 
                 40.105 
                 6.671 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2496 
                 OH2 
                 TIP 
                 A 
                 58 
                 16.349 
                 43.334 
                 14.737 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2497 
                 OH2 
                 TIP 
                 A 
                 59 
                 18.622 
                 23.529 
                 3.183 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2498 
                 OH2 
                 TIP 
                 A 
                 60 
                 26.630 
                 48.674 
                 7.609 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2499 
                 OH2 
                 TIP 
                 A 
                 61 
                 16.555 
                 47.864 
                 −8.705 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2500 
                 OH2 
                 TIP 
                 A 
                 62 
                 23.193 
                 10.211 
                 −8.266 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2501 
                 OH2 
                 TIP 
                 A 
                 63 
                 6.761 
                 33.422 
                 13.017 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2502 
                 OH2 
                 TIP 
                 A 
                 64 
                 31.235 
                 43.998 
                 6.574 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2503 
                 OH2 
                 TIP 
                 A 
                 65 
                 12.837 
                 27.261 
                 −2.851 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2504 
                 OH2 
                 TIP 
                 A 
                 66 
                 7.112 
                 44.502 
                 1.340 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2505 
                 OH2 
                 TIP 
                 A 
                 67 
                 41.572 
                 21.679 
                 −0.685 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2506 
                 OH2 
                 TIP 
                 A 
                 68 
                 22.680 
                 39.284 
                 19.173 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2507 
                 OH2 
                 TIP 
                 A 
                 69 
                 39.463 
                 37.601 
                 −3.326 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2508 
                 OH2 
                 TIP 
                 A 
                 70 
                 27.198 
                 44.213 
                 12.911 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2509 
                 OH2 
                 TIP 
                 A 
                 71 
                 20.278 
                 32.081 
                 11.495 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2510 
                 OH2 
                 TIP 
                 A 
                 72 
                 18.798 
                 23.783 
                 14.243 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2511 
                 OH2 
                 TIP 
                 A 
                 73 
                 29.802 
                 13.025 
                 4.755 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2512 
                 OH2 
                 TIP 
                 A 
                 74 
                 10.477 
                 43.339 
                 −5.465 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2513 
                 OH2 
                 TIP 
                 A 
                 75 
                 36.280 
                 13.938 
                 −3.506 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2514 
                 OH2 
                 TIP 
                 A 
                 76 
                 17.052 
                 11.701 
                 −7.565 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2515 
                 OH2 
                 TIP 
                 A 
                 77 
                 18.133 
                 24.995 
                 −0.393 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2516 
                 OH2 
                 TIP 
                 A 
                 78 
                 38.072 
                 39.296 
                 5.240 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2517 
                 OH2 
                 TIP 
                 A 
                 79 
                 25.945 
                 15.534 
                 −14.313 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2518 
                 OH2 
                 TIP 
                 A 
                 80 
                 15.465 
                 37.437 
                 19.549 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2519 
                 OH2 
                 TIP 
                 A 
                 81 
                 16.620 
                 20.634 
                 1.922 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2520 
                 OH2 
                 TIP 
                 A 
                 82 
                 23.545 
                 39.853 
                 −13.805 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2521 
                 OH2 
                 TIP 
                 A 
                 83 
                 20.253 
                 35.091 
                 −10.327 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2522 
                 OH2 
                 TIP 
                 A 
                 84 
                 36.698 
                 24.059 
                 13.386 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2523 
                 OH2 
                 TIP 
                 A 
                 85 
                 13.944 
                 26.765 
                 1.654 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2524 
                 OH2 
                 TIP 
                 A 
                 86 
                 3.518 
                 41.699 
                 1.425 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2525 
                 OH2 
                 TIP 
                 A 
                 87 
                 23.552 
                 46.329 
                 −1.900 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2526 
                 OH2 
                 TIP 
                 A 
                 88 
                 21.467 
                 19.279 
                 −8.361 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2527 
                 OH2 
                 TIP 
                 A 
                 89 
                 11.984 
                 27.072 
                 27.543 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2528 
                 OH2 
                 TIP 
                 A 
                 90 
                 23.521 
                 11.079 
                 23.940 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2529 
                 OH2 
                 TIP 
                 A 
                 91 
                 28.454 
                 48.510 
                 −3.162 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2530 
                 OH2 
                 TIP 
                 A 
                 92 
                 13.904 
                 43.690 
                 16.624 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2531 
                 OH2 
                 TIP 
                 A 
                 93 
                 7.949 
                 31.840 
                 5.015 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2532 
                 OH2 
                 TIP 
                 A 
                 94 
                 32.500 
                 19.725 
                 14.392 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2533 
                 OH2 
                 TIP 
                 A 
                 95 
                 38.390 
                 28.352 
                 −11.079 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2534 
                 OH2 
                 TIP 
                 A 
                 96 
                 33.535 
                 30.231 
                 18.680 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2535 
                 OH2 
                 TIP 
                 A 
                 97 
                 42.143 
                 19.333 
                 8.275 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2536 
                 OH2 
                 TIP 
                 A 
                 98 
                 14.934 
                 50.010 
                 −7.142 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2537 
                 OH2 
                 TIP 
                 A 
                 99 
                 30.152 
                 44.543 
                 −0.015 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2538 
                 OH2 
                 TIP 
                 A 
                 100 
                 8.844 
                 47.803 
                 −7.596 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2539 
                 OH2 
                 TIP 
                 A 
                 101 
                 27.103 
                 37.051 
                 19.604 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2540 
                 OH2 
                 TIP 
                 A 
                 102 
                 17.787 
                 15.577 
                 −9.801 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2541 
                 OH2 
                 TIP 
                 A 
                 104 
                 16.591 
                 25.543 
                 2.635 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2542 
                 OH2 
                 TIP 
                 A 
                 105 
                 27.295 
                 22.133 
                 −0.598 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2543 
                 OH2 
                 TIP 
                 A 
                 106 
                 8.558 
                 49.822 
                 −12.353 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2544 
                 OH2 
                 TIP 
                 A 
                 107 
                 6.922 
                 43.138 
                 −1.316 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2545 
                 OH2 
                 TIP 
                 A 
                 108 
                 42.011 
                 13.562 
                 11.695 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2546 
                 OH2 
                 TIP 
                 A 
                 109 
                 20.749 
                 53.219 
                 5.773 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2547 
                 OH2 
                 TIP 
                 A 
                 110 
                 32.142 
                 24.552 
                 22.465 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2548 
                 OH2 
                 TIP 
                 A 
                 111 
                 13.126 
                 28.687 
                 14.559 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2549 
                 OH2 
                 TIP 
                 A 
                 112 
                 36.222 
                 10.792 
                 2.017 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2550 
                 OH2 
                 TIP 
                 A 
                 113 
                 20.573 
                 36.856 
                 1.414 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2551 
                 OH2 
                 TIP 
                 A 
                 115 
                 27.421 
                 10.974 
                 25.524 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2552 
                 OH2 
                 TIP 
                 A 
                 116 
                 42.751 
                 19.151 
                 10.460 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2553 
                 OH2 
                 TIP 
                 A 
                 117 
                 35.543 
                 36.745 
                 5.730 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2554 
                 OH2 
                 TIP 
                 A 
                 118 
                 11.440 
                 28.831 
                 21.618 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2555 
                 OH2 
                 TIP 
                 A 
                 119 
                 7.319 
                 34.101 
                 9.399 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2556 
                 OH2 
                 TIP 
                 A 
                 121 
                 36.857 
                 26.359 
                 21.626 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2557 
                 OH2 
                 TIP 
                 A 
                 123 
                 36.523 
                 30.443 
                 7.429 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2558 
                 OH2 
                 TIP 
                 A 
                 124 
                 26.132 
                 50.469 
                 5.525 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2559 
                 OH2 
                 TIP 
                 A 
                 126 
                 34.329 
                 44.402 
                 −4.548 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2560 
                 OH2 
                 TIP 
                 A 
                 127 
                 26.999 
                 33.484 
                 −9.280 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2561 
                 OH2 
                 TIP 
                 A 
                 128 
                 18.443 
                 27.124 
                 21.387 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2562 
                 OH2 
                 TIP 
                 A 
                 129 
                 17.596 
                 28.119 
                 10.054 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2563 
                 OH2 
                 TIP 
                 A 
                 131 
                 14.334 
                 35.901 
                 18.626 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2564 
                 OH2 
                 TIP 
                 A 
                 132 
                 31.030 
                 32.454 
                 7.688 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2565 
                 OH2 
                 TIP 
                 A 
                 133 
                 2.973 
                 33.533 
                 13.781 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2566 
                 OH2 
                 TIP 
                 A 
                 137 
                 25.307 
                 9.302 
                 −4.123 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2567 
                 OH2 
                 TIP 
                 A 
                 138 
                 22.308 
                 8.017 
                 22.539 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2568 
                 OH2 
                 TIP 
                 A 
                 140 
                 21.574 
                 38.666 
                 3.205 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2569 
                 OH2 
                 TIP 
                 A 
                 146 
                 31.586 
                 31.424 
                 10.186 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2570 
                 OH2 
                 TIP 
                 A 
                 154 
                 6.490 
                 36.861 
                 3.474 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2571 
                 OH2 
                 TIP 
                 A 
                 156 
                 12.899 
                 47.499 
                 −10.970 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2572 
                 OH2 
                 TIP 
                 A 
                 160 
                 38.133 
                 32.578 
                 21.040 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2573 
                 OH2 
                 TIP 
                 A 
                 185 
                 16.312 
                 28.123 
                 22.475 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2574 
                 OH2 
                 TIP 
                 A 
                 191 
                 34.865 
                 30.182 
                 −7.396 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2575 
                 OH2 
                 TIP 
                 A 
                 198 
                 38.682 
                 29.942 
                 21.401 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2576 
                 OH2 
                 TIP 
                 A 
                 221 
                 20.664 
                 28.062 
                 −4.027 
                 1.00 
                 43.52 
                 SS 
               
               
                 ATOM 
                 2577 
                 OH2 
                 TIP 
                 A 
                 227 
                 38.426 
                 34.659 
                 9.615 
                 1.00 
                 43.52 
                 SS 
               
               
                 TER 
               
               
                 END