WO2003060100A2 - CRYSTALLIZED DnaG PRIMASE COMPLEXES AND METHODS OF USE THEREOF - Google Patents

Abstract

The present invention provides crystals of a Staphylococcus aureus DnaG primase and Escherichia coli DnaG primase proteins complexed with ligands. The three-dimensional structural information for Staphylococcus aureus DnaG primase with magnesium bound, Staphylococcus aureus DnaG primase with sulfate bound, and Escherichia coli DnaG primase with manganese bound is provided. The present invention provides procedures for identifying agents that can inhibit the cell growth of Staphylococcus aureus, Escherichia coli, or both through the use of rational drug design utilizing the crystallographic data.

Description

CRYSTALLIZED DnaG PRIMASE COMPLEXES AND METHODS OF USE

THEREOF

This application claims priority from U.S. Provisional Application Ser. No. 60/347,527 filed January 11, 2002. FIELD OF THE INVENTION

The present invention provides crystal forms of the Staphylococcus aureus and Escherichia cσ//DnaG primase proteins complexed with ligands suitable for determination of the high-resolution structure of the protein through the application of x-ray crystallographic techniques. Detailed three dimensional structures for the Staphylococcus aureus DnaG primase protein bound to sulfate, the Staphylococcus aureus 'DnaG primase protein bound to Magnesium, and the Escherichia cø//DnaG primase protein bound to Manganese are also provided. The present invention provides procedures for identifying agents that can inhibit or otherwise modulate the activity of the Staphylococcus aureus 'DnaG primase protein, the Escherichia coli DnaG primase protein, or both protein through the application of virtual screening and/or rational drug design methodologies which employ the crystals and crystallographic data disclosed. Such modulators of the activity of the DnaG primase proteins are likely to be of utility in the therapeutic treatment and/or prevention of diseases of humans and other animals which are caused by Staphylococci or Escherichia species and possibly other related bacteria. BACKGROUND OF THE INVENTION

DNA polymerases cannot combine two deoxynucleosidetriphosphates (dNTPs) to initiate the synthesis of new DNA strands during the process of DNA replication, but must instead initiate DNA synthesis from a hydroxyl group provided by a preformed RNA or DNA primer. This mechanistic peculiarity complicates several aspects of DNA replication and repair, and must be circumvented for any cell or virus to survive and propagate. The most common solution evolved by nature is to start each DNA chain with a primer made of RNA. Such primers are synthesized by a specialized family of RNA polymerases referred to as 'Primases', and are central not only to DNA replication but also to DNA repair, telomere length maintenance, and cell cycle regulation. In bacterial species, the primase proteins are encoded by genes homologous to the dnaG gene of Escherichia coli and are hence referred to as the TJ»naG primases'. In bacteria, the DnaG Primases have been experimentally demonstrated to be essential in the initiation and elongation phases of DNA replication. As DNA replication is critical to the propagation of most pathogenic bacteria in the establishment of disease states, it is anticipated that effective cellular inhibitors of DnaG primases should suppress the growth and propagation of pathogenic bacteria in the infectious state. The DnaG primases of pathogenic bacteria therefore provide an ideal target for the discovery, development or design of new antibacterial agents which have bacteriostatic or bacteriocidal properties.

Infectious diseases are the third leading cause of death in the United States and the leading cause of death worldwide [Binder et al., Science 284:1311-1313 (1999)], and bacterial infections remain among the most common and deadly causes of infectious diseases in humans. Prior to the 1980s, bacterial infections in developed countries could be readily treated with available antibiotics. However, during the 1980s and 1990s, antibiotic resistant strains of bacteria emerged and today such represent a major therapeutic problem in both hospital and community settings. Indeed, bacterial strains exist today that have developed or acquired resistance to essentially all antibacterial agents approved for use in human medicine, including strains of Staphylococcus aureus. The consequences of the increase in resistant strains include higher morbidity and mortality, longer patient hospitalization, and an increase in treatment costs. (B. Murray, 1994, New Engl. J. Med. 330:1229-1230.) Therefore, there is a pressing need for the development of new antibacterial agents which are not significantly affected by the existing bacterial resistance mechanisms.

Bacteria of the Staphylococcus group, commonly known as "Staph" cause a wide range of serious, life-threatening diseases including toxic shock syndrome, abscesses, blood poisoning, a form of pneumonia, and the heart inflammation endocarditis. Staphylococcus species also cause many less serious conditions, including styes and pink eye, bloody diarrhea, and some food poisoning. Skin infections caused by Staphylococci range from well-known boils and impetigo to such obscure conditions as paronychia, a nail infection, and scalded skin syndrome, a skin infection in babies and young children that causes extensive blisters.

Overall, the species Staphylococcus aureus seem to be the most highly infectious member to both humans and domestic animals. They are a very common cause of pus-filled boils, of infections of cuts and wounds in the skin, and of internal infections after surgery. They are also the source of most blood poisoning, of about 60% of all cases of the difficult bone infection osteomyelitis, and of the devastating condition toxic shock syndrome.

Staphylococcal food poisoning (staphyloenterotoxicosis and staphyloenterotoxemia) is the name of the condition caused by the enterotoxins which some strains of Staphylococcus aureus produce. The onset of symptoms in staphylococcal food poisoning is usually rapid and in many cases acute, depending on individual susceptibility to the toxin, the amount of contaminated food eaten, the amount of toxin in the food ingested, and the general health of the victim. The most common symptoms are nausea, vomiting, retching, abdominal cramping, and prostration. Some individuals may not always demonstrate all the symptoms associated with the illness. In more severe cases, headache, muscle cramping, and transient changes in blood pressure and pulse rate may occur.

Methicillin was an antibiotic commonly used to treat Staph infections and proved very effective during the 1980's and 90's. However, some isolates have now developed resistance to methicillin and can no longer be killed by this antibiotic and are referred to as methicillin-resistant Staphylococcus aureus, or MRSA. MRSA infection usually develops in hospital patients who are elderly or very sick, or who have an open wound (such as a bedsore) or a tube (such as a urinary catheter) going into their body. According to current estimates, as many as 80,000 patients a year get an MRSA infection after they enter the hospital and few therapeutic options remain available for treatment. Of the latter, the antibiotic Vancomycin has often been administered as a treatment of last resort. However, the increased use of Vancomycin in the clinical setting has facilitated the development of resistance and multiple cases of MRSA isolates that have developed or acquired resistance to Vancomycin have now been reported.

Escherichia coli^'xs a bacteria that is normally found in the intestine of humans and animals. However, pathogenic forms of the bacteria exist that cause a variety of bacterial infections in humans as well as other animals. These pathogenic forms are the leading cause of urinary tract infection and are a major cause of neonatal meningitis, nosocomial septicemia, and surgical site infections.

As discussed above for Staphylococcu aureus, antibiotic resistance in pathogenic strains of Escherichia colils on the rise. Certain strains of multidrug- resistant strains of Escherichia coli have exhibited epidemic-like behavior. One such strain caused an outbreak of community-acquired cystitis, pyelonephritis, and septicemia in South London and is an endemic cause of urinary tract infections in Barcelona, Spain.

Therefore, there is an urgent need to develop methods for identifying new classes of antibacterial agents for the treatment of infections caused by Staphylococcus aureus and other Staphylococci species and infections caused by Escherichia coli. In particular, there is an urgent need to develop new drugs that inhibit growth and proliferation by novel mechanisms. Such novel agents may be identified through identifying inhibitors or modulators of enzymes which are essential to the growth and/or propagation of the organism and for which no current antibiotic agents have been identified or described. By virtue of their novel mechanisms of action, it is anticipated that such drugs will be chemically unrelated to existing classes of agents and are thus unlikely to be affected by the panoply of existing antibiotic resistance mechanisms.

In addition, there is a need for methods that can identify new classes of antibacterial agents that can target single species of bacterial pathogens or a limited spectrum of bacterial pathogens. One factor that is thought to contribute to the spread of antibiotic resistance is the transfer of resistance between strains by the transfer of genetic material. For example, the widespread resistance to sulfamethoxazole implies the presence of class I integrons, which are important in transferring resistance to multiple antibiotics. Thus treatment of bacterial infections with antibiotics that target a broad range of pathogenic and non- pathogenic bacteria may increase the populations of unrelated non-pathogenic strains that harbor antibiotic resistance genes. This increases the chances of transfer of resistance genes to pathogenic varieties. Treatment with antibiotics that target a limited range of bacteria will not select for resistance in unrelated non-pathogenic strains that a patient may harbor. Thus, resistance to such antibiotics will develop more slowly.

Unfortunately, the discovery of novel antibiotics and antibacterial agents by direct approaches has heretofore largely relied on serendipity and/or the systematic screening of large numbers of natural and synthetic compounds for the identification of chemicals that have inhibitory effects on bacterial cell growth. However, following the identification of active compounds through such cell-based efforts, a major hurdle remains in establishing the mechanism(s) of action underlying the growth inhibitory properties and therein the identification of the molecular target of the compound of interest. To obviate the need for such mechanism of action studies, so-called 'target-directed' approaches have been adopted in the drug discovery industry wherein defined molecular targets (usually protein enzymes) are screened to identify compounds which modulate the activity of such. However, target-directed screening approaches remain largely dependent on serendipity in that compounds have to be identified at random (from large compound screening sets or libraries) that have the desired properties in terms of their affects on target function of activity.

A superior method for the identification of new drug candidates relies on structure based methods wherein detailed scientific knowledge about the molecular target, like that afforded from a high resolution structure, is utilized in rational drug design approaches. In such cases, a three dimensional structure of the protein or peptide is determined and potential agonists and/or antagonists are identified or rationally designed with the aid of high speed computational methods [Bugg et al., Scientific American, Dec: 92-98 (1993); West et al., TIPS, 16:67-74 (1995); Dunbrack et al., Folding & Design, 2:27-42 (1997)].

The application of high speed computational methods to small molecule drug discovery and development has advanced rapidly over the past decade, and has played a key role in the development of a number of drugs which are now on the market or are in clinical trials. However, the application of such methodologies to any drug discovery effort is critically dependent on the availability of a high resolution structure (or structures) of the target protein and despite recent advances in technologies that allow for the automated, highthroughput sampling of crystallization conditions, there remains no guaranteed path by which the establishment of conditions that will yield diffraction quality crystals can be predicted for any given protein target. Hence, the establishment of such crystallization conditions for any particular molecular target of interest - as described herein for the DnaG primase protein of Staphylococcus aureus and for the DnaG primase protein of Escherichia coli in complex with manganese - defines a critical step in the modern drug discovery pathway as such enables the application of high speed computational methods to enhance the overall process by which a new agent is identified and/or optimized.

High-speed computational methods which are applied in modern drug discovery and development can be divided into two categories depending on where they are implemented within the overall process.

The first possible application of such methodologies is in the drug discovery phase in a process known as Virtual Screening' wherein large sets of small molecule compounds are searched in virtual (computer) space to identify those that are predicted to bind to particular surface features of the target protein. This ^λlock and key' type methodology relies on the prior definition of a key feature of the target protein (the 'lock⁷) wherein the molecular surface defines a site at which the binding of a small molecule compound is predicted to perturb the activity of the protein such as to inhibit (or otherwise modulate) its function. In the case of enzymes, like the DnaG primase protein of Staphylococcus aureus nd Escherichia coli, such sites are typically found in the so-called 'active site' region of the protein which is defined by those amino acid residues in the protein which either play roles in enzymatic catalysis or which are involved in substrate or product binding. In the Escherichia coli naG primase, this region encompasses, but is not limited to, Tyrl42, Argl46, Arg221, Lys229, Tyr230, Asn232, Lys241, Glu265, Gly266, Asp269, Gly286, Asp309, Asp311, Ala313, Gly314, Ala317, Asp345, and Asp347. In Staphylococcus aureus DnaG primase, this region encompasses, but is not limited to, residues Tyrl42, Argl46, Arg222, Lys230, Tyr231, Asn233, Lys242, Glu266, Gly267, Asp270, Gly287, Asp310, Asp312, Ala314, Gly315, Ala318, Asp343, and Asp345.

Virtual screening efforts typically employ very large sets of compounds (the 'keys') comprised of those that are both commercially available (> 1,000,000) as discrete chemicals and also theoretical (or Virtual') compounds which are predicted to have drug-like properties and which are amenable to synthesis should a Ηit' be obtained in the screening phase. By virtue of the increased chemical diversity of the libraries utilized in such efforts, and the use of high speed computers, the process of virtual screening enables the surveying of much larger areas of chemical diversity space than can currently be achieved by conventional high throughput screening (HTS) technologies. In addition, the cost associated with random screening of such large collections of compounds using conventional HTS approach can be prohibitively large.

The high-resolution crystal structures of the DnaG primase protein of Staphylococcus aureus described herein enable for the first time the application of virtual screening methodologies to the discovery of novel inhibitors (or other modulators) of this attractive target for the development of new therapeutic agents for the treatment of Staphylococcal diseases. The high-resolution crystal structure of the DnaG primase protein of Escherichia cσ//complexed with manganese described herein enables for the first time the application of virtual screening methodologies to the discovery of novel inhibitors (or other modulators) that interact with the metal bound active site of this attractive target for the development of new therapeutic agents for the treatment of diseases caused by Escherichia pathogens.

Furthermore, the high-resolution crystal structures of the DnaG primase proteins of Staphylococcus aureus and Escherichia coll described herein enable for the first time the application of virtual screening methodologies to the discovery of novel inhibitors (or other modulators). Such novel modulators may be selected to act on both DnaG primases allowing the novel modulators to treat a broad spectrum of diseases. Alternatively, such novel modulators may be selected to act on one DnaG primase and not the other. By limiting the therapeutic agent to the treatment of diseases caused by one or a limited range of bacterial pathogens, antibiotic resistance to the new therapeutic agents should develop more slowly because the therapeutic agent will be used less often and there will be fewer strains of pathogenic and non-pathogenic bacteria likely to harbor resistance genes.

The second possible application of high speed computational methods in the drug discovery and development process is in the application of a series of protocols collectively referred to as Computer Aided Molecular Design (CAMD). The application of these methodologies again relies on use of data obtained from a high resolution structure of the target protein to identify and define key features of the molecular surface of the protein where the binding of small molecule compounds maybe predicted to perturb the activity of the protein such as to inhibit (or otherwise modulate) the protein function. CAMD applications include the de novo design of small molecule compounds that are predicted to bind the target protein in the desired manner, and also the optimization of the binding properties of molecules which have been identified as inhibitors (or other modulators) of the protein from target-directed screening efforts (like HTS). In both cases, a key step in validating that the small molecule is interacting with the protein in the fashion predicted from the computer modeling (or simulation) is mediated by obtaining a high resolution structure of a complex between the protein and the small molecule compound. Such high-resolution structures of protein/small molecule complexes are obtained through X-ray crystallographic analysis. Hence, the current invention provides the experimental infrastructure wherein such techniques can be applied to antibiotic drug discovery efforts focused on Staphylococcus aureus DnaG primase and on the manganese bound active site of Escherichia coliDnaG primase.

Therefore, there is a need for obtaining a crystal of the Staphylococcus aureus DnaG primase that is amenable to high resolution X-ray crystallographic analysis. There is also a need for obtaining a crystal of the Escherichia coli DnaG primase complexed with catalytically functional metals bound in the active site that is amenable to high resolution X-ray crystallographic analysis. In addition, there is a need for determining the three-dimensional structure of the Staphylococcus aureus DnaG primase and of the Escherichia co/i DnaG primase complexed with manganese. Furthermore, there is a need for developing procedures for structure- based approaches to facilitate the identification of small molecule modulators of Staphylococcus aureus DnaG primase function and of Escherichia coil DnaG primase function using such three-dimensional information. Finally, there is a need to employ such procedures to develop new anti- Staphylococcus aureus drugs, new anti- Escherichia coli drugs, and new broad range antibacterial drugs. SUMMARY OF THE INVENTION

The present invention provides crystals of Staphylococcus aureus DnaG primase and of Escherichia coliDnaG primase in complex with manganese. The structural data obtained for the Staphylococcus aureus DnaG primase can be used for the rational design of drugs that inhibit Staphylococcus aureus cell proliferation. The structural data obtained for the Escherichia coliDnaG primase in complex with manganese can be used for the rational design of drugs that inhibit the active site of the Escherichia coliDnaG primase, thereby inhibiting Escherichia α?// cell proliferation. The present invention further provides methods of identifying and/or improving inhibitors of the Staphylococcus aureus and Escherichia coliDnaG primases which can be used in place of and/or in conjunction with other bacterial inhibitors including antibiotics. The present invention further provides methods of identifying and/or improving inhibitors that selectively inhibit either the Staphylococcus aureus DnaG primase or the Escherichia coliDnaG primase but not the other.

One aspect of the present invention provides crystals of the Staphylococcus aureus DnaG primase that can effectively diffract X-rays for the determination of the atomic coordinates of the Staphylococcus aureus DnaG primase to a resolution of better than 2.0 Angstroms. Another aspect of the present invention provides crystals of the Escherichia coliDnaG primase complexed with manganese that can effectively diffract X-rays for the determination of the atomic coordinates the Escherichia coliDnaG primase complexed with manganese to a resolution of better than 2.0 Angstroms.

In a particular embodiment the Staphylococcus aureus DnaG primase has the amino acid sequence of SEQ ID NO:l. In another embodiment the Staphylococcus aureus DnaG primase has the amino acid sequence of SEQ ID NO:2.

A crystal of the present invention may take a variety of forms all of which are included in the present invention. In a preferred embodiment the crystal of the Staphylococcus aureus DnaG primase has a space group of P6ι and unit cell dimensions of a= 152.356 Angstroms, b= 152.356 Angstroms and c=36.652 Angstroms with alpha=90, beta=90 and gamma=120 degrees. In another preferred embodiment the crystal of the Escherichia α?//DnaG primase in complex with manganese has a space group of P2ι2ι2ι and unit cell dimensions of a=38 Angstroms, b=56 Angstroms and c=140 Angstroms with alpha=90, beta=90 and gamma=90 degrees. The present invention also includes the isolated nucleic acids that encode the Staphylococcus aureus DnaG primase. In a particular embodiment, the Staphylococcus aureus DnaG primase has the DNA sequence SEQ ID NO:3. In another embodiment, the Staphylococcus aureus DnaG primase has the DNA sequence SEQ ID NO:4.

In addition, the present invention also provides expression vectors which comprise a nucleic acid of the present invention operatively associated with an expression control sequence. The present invention further includes a cell transfected or transformed with an expression vector of the present invention. In one such embodiment the cell is a prokaryotic cell.

The present invention further includes methods of using the proteins of the present invention to grow a crystal of the Staphylococcus aureus DnaG primase. The present invention further includes methods of using the proteins of the present invention to grow a crystal of the Escherichia coliDnaG primase in complex with manganese.

Still another aspect of the present invention comprises a method of using a crystal of the present invention and/or a dataset comprising the three- dimensional coordinates obtained from the crystal in a drug-screening assay.

In addition, the present invention provides three-dimensional coordinates for the Staphylococcus aureus DnaG primase. In a particular embodiment the coordinates are for the Staphylococcus aureus DnaG primase as disclosed in Table 1. Thus the data set of Table 1 below, is part of the present invention. In another embodiment the coordinates are for the Staphylococcus aureus DnaG primase as disclosed in Table 2. Thus the data set of Table 2 below, is also part of the present invention. In addition, methods of using such coordinates (including those in computer readable form) in the drug assays and drug screens as exemplified herein, are also part of the present invention. In a particular embodiment of this type, the coordinates contained in the data set of Table 1 or Table 2 below, can be used to identify potential modulators of the Staphylococcus aureus DnaG primase. In a preferred embodiment, the modulator

ll is designed to interfere with the Staphylococcus aureus DnaG primase, but not to interfere with the human primase protein. In yet another embodiment, the modulator is designed to interfere with the Staphylococcus aureus DnaG primase, but not to interfere with the Escherichia coli primase protein. In still another embodiment, the modulator is designed to interfere with both the Staphylococcus aureus DnaG primase and the Escherichia coliDnaG primase protein.

Furthermore, the present invention provides three-dimensional coordinates for the Escherichia coli DnaG primase complexed with manganese. In a particular embodiment the coordinates are for the Escherichia coli DnaG primase as disclosed in Table 3. Thus the data set of Table 3 below, is part of the present invention. In addition, methods of using such coordinates (including those in computer readable form) in the drug assays and drug screens as exemplified herein, are also part of the present invention. In a particular embodiment of this type, the coordinates contained in the data set of Table 3 below, can be used to identify potential modulators of the Escherichia coliDnaG primase that interact with the manganese bound active site. In a preferred embodiment, the modulator is designed to interfere with the Escherichia coli DnaG primase, but not to interfere with the human primase protein. In a yet another embodiment, the modulator is designed to interfere with the Escherichia coliDnaG primase, but not to interfere with the Staphylococcus aureus DnaG primase protein.

Accordingly, the present invention provides methods of identifying an agent or drug that can be used to treat Staphylococcus aureus Infections or Escherichia coli infections. One such embodiment comprises a method of identifying an agent for use as an inhibitor of Staphylococcus aureus DnaG primase using a crystal of Staphylococcus aureus DnaG primase and/or a dataset comprising the three-dimensional coordinates obtained from the crystal. Another such embodiment comprises a method of identifying an agent for use as an inhibitor of Escherichia coli DnaG primase using a crystal of Escherichia coli DnaG primase in complex with manganese and/or a dataset comprising the three-dimensional coordinates obtained from the crystal. Preferably the core DnaG primase in each embodiment effectively diffracts X-rays for the determination of the atomic coordinates to a resolution of, or better than 3.0 Angstroms. Preferably the selection is performed in conjunction with computer modeling.

In one embodiment the potential agent is selected by performing rational drug design with the three-dimensional coordinates determined for the crystal. As noted above, preferably the selection is performed in conjunction with computer modeling. The potential agent is then contacted with the DnaG primase of interest and the activity of the DnaG primase is determined (e.g., measured). A potential agent is identified as an agent that inhibits the DnaG primase when there is a decrease in the activity determined for the DnaG primase.

In a preferred embodiment the method further comprises growing a supplemental crystal containing the Staphylococcus aureus DnaG primase formed in the presence of the potential agent. In another preferred embodiment the method further comprises growing a supplemental crystal containing the Escherichia coliDnaG primase formed in the presence of the potential agent. In still another a preferred embodiment the method further comprises growing a supplemental crystal containing the DnaG primase of interest and then soaking the potential agent into the supplemental crystal. Preferably the supplemental crystal effectively diffracts X-rays for the determination of the atomic coordinates to a resolution of better than 5.0 Angstroms, more preferably to a resolution equal to or better than 3.5 Angstroms, and even more preferably to a resolution equal to or better than 2.5 Angstroms. The three-dimensional coordinates of the supplemental crystal are then determined with molecular replacement analysis and a second-generation agent is selected by performing rational drug design with the three-dimensional coordinates determined for the supplemental crystal. Preferably the selection is performed in conjunction with computer modeling. The three-dimensional structure of a supplemental crystal can be determined by molecular replacement analysis or multiwavelength anomalous dispersion or multiple isomorphous replacement or direct replacement. A candidate drug is then selected by performing rational drug design with the three-dimensional structure determined for the supplemental crystal, preferably in conjunction with computer modeling. The candidate drug can then be tested in a large number of drug screening assays using standard biochemical methodology exemplified herein.

The present invention further provides a method of identifying an agent that inhibits bacterial growth using the crystal of a Staphylococcus aureus DnaG primase or a dataset comprising the three-dimensional coordinates obtained from the crystal. The present invention still further provides a method of identifying an agent that inhibits bacterial growth using the crystal of a Escherichia coliDnaG primase complexed with manganese or a dataset comprising the three-dimensional coordinates obtained from the crystal.

In one embodiment, the potential agent is selected by performing rational drug design with the three-dimensional coordinates determined for the crystal. As noted above, preferably the selection is performed in conjunction with computer modeling. The potential agent is contacted with and/or added to a bacterial culture the potential agent is intended to inhibit and the growth of the bacterial culture is determined. A potential agent is identified as an agent that inhibits growth of that bacteria when there is a decrease in the growth of the bacterial culture. The method can further comprise growing a supplemental crystal containing the Staphylococcus aureus DnaG primase or the Escherichia coliDnaG primase as appropriate formed in the presence of the potential agent. Alternatively, the method can further comprise growing a supplemental crystal containing the Staphylococcus aureus DnaG primase or the Estherichia coli DnaG primase and soaking the potential agent into the supplemental crystal. Preferably the supplemental crystal effectively diffracts X-rays for the determination of the atomic coordinates to a resolution of better than 5.0 Angstroms, more preferably to a resolution equal to or better than 3.5 Angstroms, and even more preferably to a resolution equal to or better than 2.5 Angstroms. The three-dimensional coordinates of the supplemental crystal are then determined with molecular replacement analysis and a second-generation agent is selected by performing rational drug design with the three-dimensional coordinates determined for the supplemental crystal. Preferably the selection is performed in conjunction with computer modeling. The candidate drug can then be tested in a large number of drug screening assays using standard biochemical methodology exemplified herein.

The present invention further provides a method of obtaining a crystal of a Staphylococcus aureus bacterial DnaG primase that comprises growing the Staphylococcus aureus DnaG primase crystal in a buffered solution containing 0.22-0.3 M Na₂SO₄, 0.2% PEG 8000, 0.05 M sodium cacodylate (pH 6.5) and 0.001 M DTT.

The present invention further provides a method of obtaining a crystal of a Staphylococcus aureus bacterial DnaG primase in complex with magnesium that comprises growing the Staphylococcus aureus DnaG primase crystal in a buffered solution containing 0.2-0.28 M MgSO₄, 0.2% PEG 8000, 0.05 M sodium cacodylate (pH 6.5) and 0.001 M DTT.

The present invention further provides a method of obtaining a crystal of a Escherichia coli bacterial DnaG primase in complex with manganese that comprises growing the Escherichia coliDnaG primase crystal in a buffered solution containing 18-20% PEG 4000, 5% PEG 200, 30% Ethylene Glycol, 0.2 M Ammonium Acetate, 0.05 M Sodium Acetate (pH 5.2-5.6) and 0.1% Dioxane, followed by soaking magnesium into the crystal at a concentration of 0.01-0.20 M Mn²⁺.

Computer analysis may be performed with one or more of the computer programs including: QUANTA, CHARMM, INSIGHT, SYBYL, MACROMODEL and ICM [Dunbrack et al., Folding & Design, 2:27-42 (1997)]. In a further embodiment of this aspect of the invention, an initial drug-screening assay is performed using the three-dimensional structure so obtained, preferably along with a docking computer program. Such computer modeling can be performed with one or more Docking programs such as DOC, GRAM and AUTO DOCK [Dunbrack et al., Folding & Design, 2:27-42 (1997)].

It should be understood that in all of the drug screening assays provided herein, a number of iterative cycles of any or all of the steps may be performed to optimize the selection. For example, assays and drug screens that monitor the activity of the DnaG primase in the presence and/or absence of a potential modulator (or potential drug) are also included in the present invention and can be employed as the sole assay or drug screen, or more preferably as a single step in a multi-step protocol for identifying modulators of bacterial proliferation and the like.

The present invention further provides the novel agents (modulators or drugs) that are identified by a method of the present invention, along with the method of using agents (modulators or drugs) identified by a method of the present invention, for inhibiting Staphylococcus aureus DnaG primase and/or bacterial proliferation.

The present invention further provides the novel agents (modulators or drugs) that are identified by a method of the present invention, along with the method of using agents (modulators or drugs) identified by a method of the present invention, for inhibiting Escherichia coliDnaG primase and/or bacterial proliferation.

The present invention further provides the novel agents (modulators or drugs) that are identified by a method of the present invention, along with the method of using agents (modulators or drugs) identified by a method of the present invention, that inhibiting DnaG primase and/or bacterial proliferation of Staphylococcus aureus and not Escherichia coli, Escherichia coli and not Staphylococcus aureus, or both Escherichia coli and Staphylococcus aureus.

The present invention further provides pharmaceutical compositions containing the agents of the invention. Accordingly, it is a principal object of the present invention to provide crystals containing the core Staphylococcus aureus DnaG primase and crystals containing the core Escherichia coliDnaG primase complexed with manganese.

It is a further object of the present invention to provide the three- dimensional coordinates of the Staphylococcus aureus DnaG primase and the Escherichia coliDnaG primase complexed with manganese.

It is a further object of the present invention to provide methods for the rational design of drugs that inhibit Staphylococcus aureus DnaG primase or Escherichia coliDnaG primase.

It is a further object of the present invention to provide methods for the rational design of drugs that inhibit Staphylococcus aureus DnaG primase but not Escherichia coliDnaG primase or inhibit Escherichia coliDnaG primase but not Staphylococcus aureus DnaG primase.

It is a further object of the present invention to provide methods for the rational design of drugs that inhibit both Staphylococcus aureus DnaG primase and Escherichia coliDnaG primase.

It is a further object of the present invention to provide methods of identifying drugs that can modulate Staphylococcus aureus proliferation or Escherichia coli proliferation.

It is a further object of the present invention to provide methods of identifying drugs that can modulate Staphylococcus aureus proliferation but not Escherichia coli proliferation or can modulate Escherichia coli proliferation but not Staphylococcus aureus proliferation.

It is a further object of the present invention to provide methods of identifying drugs that can modulate both Staphylococcus aureus proliferation and Escherichia coli proliferation.

It is a further object of the present invention to provide methods for the rational design of drugs that inhibit Staphylococcus aureus proliferation without negatively effecting human DnaG primase. It is a further object of the present invention to provide methods for the rational design of drugs that inhibit Escherichia coli proliferation without negatively effecting human DnaG primase.

It is a further object of the present invention tα provide methods of identifying agents that can be used to treat Staphylococcus aureus Infections in mammals and preferably in humans.

It is a further object of the present invention to provide methods of identifying agents that can be used to treat Escherichia coli infections in mammals and preferably in humans.

These and other aspects of the present invention will be better appreciated by reference to the Detailed Description. BRIEF DESCRIPTION OF THE FIGURES

This invention will be better understood by reference to the Figures in which:

Figures IA - IE show a diagrammatic representation of the type of high throughput screening (HTS) assay that can be utilized for the identification of inhibitors (or other modulators) of the activity bacterial DnaG primases.

Figure 2A shows a representative example of data obtained using a electrophoresis gel based assay to characterize the activity of different recombinant forms of Escherichia coliDnaG primase. Reaction products for the full-length form of the E cσ//DnaG enzyme (Lane 3) and a 36.5 kDa catalytic core domain thereof (Lane 4) were separated on a 20% denaturing polyacrylamide gel and the size of the reaction products estimated by comparison to reference deoxyoligonucleotide sizing markers (Lanes 1 & 2).

Figure 2B shows representative data obtained in the characterization of DnaG primase inhibitors identified using the HTS assay shown in Figure 1.

Figure 3 shows a ribbon representation of the Staphylococcus aureus DnaG primase complexed with magnesium in dark gray superimposed on the Escherichia coliDnaG primase complexed with manganese in light gray. The molecule is composed of three sub-domains. The NH₂-terminal subdomain 30 has a mixed α/β fold. The central sub-domain 20 has a five stranded β sheet sandwiched by six α helices. Sub-domain 20 includes the toprim fold. The COOH-terminal sub-domain 10 is a three-helix bundle.

Figure 4 shows a ribbon representation of the Staphylococcus aureus DnaG primase complexed with magnesium in dark gray superimposed on the Escherichia coliDnaG primase complexed with manganese in light gray. The view is a close up of the active sites of the two DnaG primases showing the position of the metals. The pair of metals on the right, 24 and 26, are the bound by the TOPRIM domains of the two DnaG primases. The pair of metals on the left 22 are partially overlapped and are bound in the second metal binding site. The DnaG primases were aligned by optimizing overlap of homologous amino acid residues in the active sites. The r.m.s. deviation of the main chain atoms of the residues in the active site is approximately 1.9 Angstroms. BRIEF DESCRIPTION OF THE TABLES

Table 1 shows the atomic coordinates of the Staphylococcus aureus DnaG primase in complex with sulfate.

Table 2 shows the atomic coordinates of the Staphylococcus aureus DnaG primase in complex with magnesium.

Table 3 shows the atomic coordinates of the Escherichia coliDnaG primase in complex with manganese. BRIEF DESCRIPTION OF THE SEQUENCES

Seq. No. 1 shows the amino acid sequence of the full length Staphylococcus aureus DnaG primase.

Seq. No. 2 shows the amino acid sequence of the core Staphylococcus aureus DnaG primase.

Seq. No. 3 shows the nucleotide sequence of the full length Staphylococcus aureus DnaG primase.

Seq. No. 4 shows the nucleotide sequence of the core Staphylococcus aureus DnaG primase. DETAILED DESCRIPTION OF THE INVENTION

The present invention provides crystals of a Staphylococcus aureus DnaG primase and crystals of an Escherichia coliDnaG primase complexed with manganese. The present invention further provides the structural coordinates for the Staphylococcus aureus DnaG primase and for the Escherichia coliDnaG primase complexed with manganese and methods of using such structural coordinates in drug assays.

The present invention further exploits the structural information disclosed herein and provides methods of identifying agents or drugs that can be used to control the proliferation of Staphylococcus aureus, e.g., for use as treatments for Staphylococcus aureus infections or control the proliferation of Escherichia coli, e.g., for use as treatments for Escherichia coli infections.

The present invention also exploits the combined structural information disclosed herein and provides methods of identifying agents or drugs that can be used to control the proliferation of both Staphylococcus aureus and Escherichia coli, e.g., for use as treatments for infections caused by a broader range of bacterial pathogens.

The present invention also exploits the combined structural information disclosed herein and provides methods of identifying agents or drugs that can be used to control the proliferation of Staphylococcus aureus but not Escherichia coli or to control the proliferation of Escherichia coli but not Staphylococcus aureus, e.g., for use as treatments for infections by one of the two bacteria, such treatments being less prone to lead to resistant strains of pathogenic and non- pathogenic bacteria.

The present invention describes an isolated nucleic acid encoding a Staphylococcus aureus DnaG primase. The present invention further provides for subsequent modification of the nucleic acid to generate a fragment that can be used to form a Staphylococcus aureus DnaG primase that will crystallize.

In accordance with the present invention there may be employed conventional molecular biology, microbiology, and recombinant DNA techniques within the skill of the art. Such techniques are explained fully in the literature. See, e.g., Sambrook, Fritsch & Maniatis, Molecular Cloning: A Laboratory Manual, Second Edition (1989) Cold Spring Harbor Laboratory Press, Cold Spring Harbor, N.Y. (herein "Sambrook et al., 1989"); DNA Cloning: A Practical Approach, Volumes I and II (D. N. Glover ed. 1985); Oligonucleotide Synthesis (M. J. Gait ed. 1984); Nucleic Acid Hybridization [B. D. Hames & S. J. Higgins eds. (1985)]; Transcription And Translation [B. D. Hames & S. J. Higgins, Eds. (1984)]; Animal Cell Culture [R. I. Freshney, ed. (1986)]; Immobilized Cells And Enzymes [IRL Press, (1986)]; B. Perbal, A Practical Guide To Molecular Cloning (1984); F. M. Ausubel et al. (eds.), Current Protocols in Molecular Biology, John Wiley & Sons, Inc. (1994).

In order to understand the invention more fully, the following terms shall have the definitions set out below.

As used herein a "small organic molecule" is an organic compound [or organic compound complexed with an inorganic compound (e.g., metal)] that has a molecular weight of less than 3 kDa.

As used herein the term "about" means within 10 to 15%, preferably within 5 to 10%. For example an amino acid sequence that contains about 60 amino acid residues can contain between 51 to 69 amino acid residues, more preferably 57 to 63 amino acid residues.

As used herein, the term "gene" refers to an assembly of nucleotides that encode a polypeptide, and includes cDNA and genomic DNA nucleic acids.

A "vector" is a replicon, such as plasmid, phage or cosmid, to which another DNA segment may be attached so as to bring about the replication of the attached segment.

A "replicon" is any genetic element (e.g., plasmid, chromosome, virus) that functions as an autonomous unit of DNA replication in vivo, i.e., capable of replication under its own control.

A "cassette" refers to a segment of DNA that can be inserted into a vector at specific restriction sites. The segment of DNA encodes a polypeptide of interest, and the cassette and restriction sites are designed to ensure insertion of the cassette in the proper reading frame for transcription and translation.

A cell has been "transfected" by exogenous or heterologous DNA when such DNA has been introduced inside the cell. A cell has been "transformed" by exogenous or heterologous DNA when the transfected DNA effects a phenotypic change. Preferably, the transforming DNA should be integrated (covalently linked) into chromosomal DNA making up the genome of the cell.

"Heterologous DNA" refers to DNA not naturally located in the cell, or in a chromosomal site of the cell. Preferably, the heterologous DNA includes a gene foreign to the cell.

A "nucleic acid molecule" refers to the phosphate ester polymeric form of ribonucleosides (adenosine, guanosine, uridine or cytidine; "RNA molecules") or deoxyribonucleosides (deoxyadenosine, deoxyguanosine, deoxythymidine, or deoxycytidine; "DNA molecules"), or any phosphoester analogs thereof, such as phosphorothioates and thioesters, in either single stranded form, or a double- stranded helix. Double stranded DNA-DNA, DNA-RNA and RNA--RNA helices are possible. The term nucleic acid molecule, and in particular DNA or RNA molecule, refers only to the primary and secondary structure of the molecule, and does not limit it to any particular tertiary forms. Thus, this term includes double-stranded DNA found, inter alia, in linear or circular DNA molecules (e.g., restriction fragments), plasmids, and chromosomes. In discussing the structure of particular double-stranded DNA molecules, sequences may be described herein according to the normal convention of giving only the sequence in the 5' to 3' direction along the nontranscribed strand of DNA (i.e., the strand having a sequence homologous to the mRNA). A "recombinant DNA molecule" is a DNA molecule that has undergone a molecular biological manipulation.

Such recombinant DNA techniques may be used to generate various derivatives of the DnaG primases that include, but are not limited to, those containing all or part of the Staphylococcus aureus or Escherichia coliDnaG primase amino acid sequence including modified sequences that contain conservative substitutions of specific amino acids for functionally equivalent amino acids. Examples include substitution of non-polar amino acids for other non-polar amino acids of similar size, such as valine for isoleucine; substitution of polar amino acids for other polar amino acids of similar size, such as serine for threonine; or substitution of a charged amino acid for an amino acid with the same charge, such as arginine for lysine.

The present invention also relates to cloning vectors containing genes encoding analogs and derivatives of Staphylococcus aureus 'DnaG primase.

The genes encoding Staphylococcus aureus DnaG primase derivatives and analogs of the invention can be produced by various methods known in the art. The manipulations which result in their production can occur at the gene or protein level. For example, the cloned Staphylococcus aureus DnaG primase gene sequence can be modified by any of numerous strategies known in the art (Sambrook et al., 1989, supra). The sequence can be cleaved at appropriate sites with restriction endonuclease(s), followed by further enzymatic modification if desired, isolated, and ligated in vitro. In the production of the gene encoding a derivative or analog of DnaG primase, care should be taken to ensure that the modified gene remains within the same translational reading frame as the DnaG primase gene, uninterrupted by translational stop signals, in the gene region where the desired activity is encoded.

The identified and isolated gene can then be inserted into an appropriate cloning vector. A large number of vector-host systems known in the art may be used. Possible vectors include, but are not limited to, plasmids or modified viruses, but the vector system must be compatible with the host cell used. Examples of vectors include, but are not limited to, E coli, bacteriophages such as lambda derivatives, or plasmids such as pBR322 derivatives or pUC plasmid derivatives, e.g., pGEX vectors, pmal-c, pFLAG, etc. The insertion into a cloning vector can, for example, be accomplished by ligating the DNA fragment into a cloning vector which has complementary cohesive termini. However, if the complementary restriction sites used to fragment the DNA are not present in the cloning vector, the ends of the DNA molecules may be enzymatically modified. Alternatively, any site desired may be produced by ligating nucleotide sequences (linkers) onto the DNA termini; these ligated linkers may comprise specific chemically synthesized oligonucleotides encoding restriction endonuclease recognition sequences. Recombinant molecules can be introduced into host cells via transformation, transfection, infection, electroporation, etc., so that many copies of the gene sequence are generated. Preferably, the cloned gene is contained on a shuttle vector plasmid, which provides for expansion in a cloning cell, e.g., E coli, and facile purification for subsequent insertion into an appropriate expression cell line, if such is desired. For example, a shuttle vector, which is a vector that can replicate in more than one type of organism, can be prepared for replication in both E cσ//and Saccharomyces cerevlsiae by linking sequences from an E coli plasmid with sequences from yeast plasmids. Expression of Staphylococcus aureus DnaG primase

The nucleotide sequence coding for Staphylococcus aureus DnaG primase, a fragment of Staphylococcus aureus DnaG primase or a derivative or analog thereof, including a functionally active derivative, such as a chimeric protein, thereof, can be inserted into an appropriate expression vector, i.e., a vector which contains the necessary elements for the transcription and translation of the inserted protein-coding sequence. Such elements are termed herein a "promoter." Thus, the nucleic acid encoding a DnaG primase of the invention or a fragment thereof is operationally associated with a promoter in an expression vector of the invention. Both cDNA and genomic sequences can be cloned and expressed under control of such regulatory sequences. An expression vector also preferably includes a replication origin.

The necessary transcriptional and translational signals can be provided on a recombinant expression vector, or they may be supplied by the native gene encoding Staphylococcus aureus DnaG primase and/or its flanking regions.

Potential host-vector systems include but are not limited to mammalian cell systems infected with virus (e.g., vaccinia virus, adenovirus, etc.); insect cell systems infected with virus (e.g., baculovirus); microorganisms such as yeast containing yeast vectors; or bacteria transformed with bacteriophage, DNA, plasmid DNA, or cosmid DNA. The expression elements of vectors vary in their strengths and specificities. Depending on the host-vector system utilized, any one of a number of suitable transcription and translation elements may be used.

A recombinant Staphylococcus aureus DnaG primase protein of the invention, or DnaG primase fragment, derivative, chimeric construct, or analog thereof, may be expressed chromosomally, after integration of the coding sequence by recombination. In this regard, any of a number of amplification systems may be used to achieve high levels of stable gene expression [See Sambrook et al., 1989, supra].

The cell containing the recombinant vector comprising the nucleic acid encoding Staphylococcus aureus DnaG primase is cultured in an appropriate cell culture medium under conditions that provide for expression of DnaG primase by the cell.

Any of the methods previously described for the insertion of DNA fragments into a cloning vector may be used to construct expression vectors containing a gene consisting of appropriate transcriptional/translational control signals and the protein coding sequences. These methods may include in vitro recombinant DNA and synthetic techniques and in vivo recombination (genetic recombination).

Expression of Staphylococcus aureus DnaG primase may be controlled by any promoter/enhancer element known in the art, but these regulatory elements must be functional in the host selected for expression. Promoters that may be used to control DnaG primase gene expression are well known in the art including prokaryotic expression vectors such as the Beta-lactamase promoter [Villa-Kamaroff, et al., Proc. Natl. Acad. Sci. U.S.A., 75:3727-3731 (1978)], or the tac promoter [DeBoer, et al., Proc. Natl. Acad. Sci. U.S.A., 80:21-25 (1983)].

Expression vectors containing a nucleic acid encoding an DnaG primase of the invention can be identified by a number of means including four general approaches: (a) PCR amplification of the desired plasmid DNA or specific mRNA, (b) nucleic acid hybridization, (c) presence or absence of selection marker gene functions, and (d) expression of inserted sequences.

In the first approach, the nucleic acids can be amplified by PCR to provide for detection of the amplified product.

In the second approach, the presence of a foreign gene inserted in an expression vector can be detected by nucleic acid hybridization using probes comprising sequences that are homologous to an inserted marker gene.

In the third approach, the recombinant vector/host system can be identified and selected based upon the presence or absence of certain "selection marker" gene functions (e.g., beta galactosidase activity, thymidine kinase activity, resistance to antibiotics, transformation phenotype, occlusion body formation in baculovirus, etc.) caused by the insertion of foreign genes in the vector.

In another example, if the nucleic acid encoding DnaG primase is inserted within the "selection marker" gene sequence of the vector, recombinants containing the DnaG primase insert can be identified by the absence of the selection marker gene function.

In the fourth approach, recombinant expression vectors can be identified by assaying for the activity, biochemical, or immunological characteristics of the DnaG primase expressed by the recombinant, provided that the expressed protein assumes a functionally active conformation.

A wide variety of host/expression vector combinations may be employed in expressing the DNA sequences of this invention. Useful expression vectors, for example, may consist of segments of chromosomal, non-chromosomal and synthetic DNA sequences. ^"Suitable vectors include derivatives of SV40 and known bacterial plasmids, e.g., E coli plasmids col El, pCRl, pBR322, pMal-C2, pET, pGEX [Smith et al., Gene, 67:31-40 (1988)], pMB9 and their derivatives, plasmids such as RP4; phage DNAS, e.g., the numerous derivatives of phage Lambda, e.g., NM989, and other phage DNA, e.g., M13 and filamentous single stranded phage DNA; yeast plasmids; vectors useful in eukaryotic cells, such as vectors useful in insect or mammalian cells; vectors derived from combinations of plasmids and phage DNAs, such as plasmids that have been modified to employ phage DNA or other expression control sequences; and the like.

For example, in a baculovirus expression systems, both non-fusion transfer vectors, such as but not limited to pVL941 (BamHl cloning site; Summers), pVL1393 (BamHl, Smal, Xbal, EcoRI, Notl, Xmnlll, Bglll, and Pstl cloning site; Invitrogen), pVL1392 (Bglll, Pstl, Notl, Xmalll, EcoRI, Xbal, Smal, and BamHl cloning site; Summers and Invitrogen), and pBlueBacIII (BamHl, Bglll, Pstl, Ncol, and Hindlll cloning site, with blue/white recombinant screening possible; Invitrogen), and fusion transfer vectors, such as but not limited to pAc700(BamHl and Kpnl cloning site, in which the BamHl recognition site begins with the 5 initiation codon; Summers), pAc701 and pAc702 (same as pAc700, with different reading frames), pAc360 (BamHl cloning site 36 base pairs downstream of a polyhedrin initiation codon; Invitrogen(195)), and pBlueBacHisA, B, C (three different reading frames, with BamHl, Bglll, Pstl, Ncol, and Hindlll cloning site, an N-terminal peptide for ProBond purification, and blue/white recombinant screening of plaques can be used.

Mammalian expression vectors contemplated for use in the invention include vectors with inducible promoters, such as the dihydrofolate reductase (DHFR) promoter, e.g., any expression vector with a DHFR expression vector, or a DHFR/methotrexate co-amplification vector, such as pED (Pstl, Sail, Sbal, Smal, and EcoRI cloning site, with the vector expressing both the cloned gene and DHFR; see Kaufman, Current Protocols in Molecular Biology, 16.12 (1991). Alternatively, a glutamine synthetase/methionine sulfoximine co-amplification vector, such as pEE14 (Hindlll, Xbal, Smal, Sbal, EcoRI, and Bell cloning site, in which the vector expresses glutamine synthase and the cloned gene; Celltech).

In another embodiment, a vector that directs episomal expression under control of Epstein Barr Virus (EBV) can be used, such as pREP4 (BamHl, Sfil, Xhol, Notl, Nhel, Hindlll, Nhel, PvuII, and Kpnl cloning site, constitutive RSV- LTR promoter, hygromycin selectable marker; Invitrogen), pCEP4 (BamHl, Sfil, Xhol, Notl, Nhel, Hindlll, Nhel, Pvul, and Kpnl cloning site, constitutive hCMV immediate early gene, hygromycin selectable marker; Invitrogen), pMEP4 (Kpnl, Pvul, Nhel, Hindlll, Notl, Xhol, Sfil, BamHl cloning site, inducible metallothionein Ila gene promoter, hygromycin selectable marker: Invitrogen), pREP8 (BamHl, Xhol, Notl, Hindlll, Nhel, and Kpnl cloning site, RSV-LTR promoter, histidinol selectable marker; Invitrogen), pREP9 (Kpnl, Nhel, Hindlll, Notl, Xhol, Sfil, and BamHl cloning site, RSV-LTR promoter, G418 selectable marker; Invitrogen), and pEBVHis (RSV-LTR promoter, hygromycin selectable marker, N-terminal peptide purifiable via ProBond resin and cleaved by enterokinase; Invitrogen).

Selectable mammalian expression vectors for use in the invention include pRc/CMV (Hindlll, BstXI, Notl, Sbal, and Apal cloning site, G418 selection; Invitrogen), pRc/RSV (Hindlll, Spel, BstXI, Notl, Xbal cloning site, G418 selection; Invitrogen), and others. Vaccinia virus mammalian expression vectors (see, Kaufman, 1991, supra) for use according to the invention include but are not limited to pSCll (Smal cloning site, TK- and Beta-gal selection), pMJ601 (Sail, Smal, Afll, Narl, BspMII, BamHl, Apal, Nhel, SacII, Kpnl, and Hindlll cloning site; TK- and Beta-gal selection), and pTKgptFlS (EcoRI, Pstl, Sail, Accl, Hindlll, Sbal, BamHl, and Hpa cloning site, TK or XPRT selection).

Yeast expression systems can also be used according to the invention to express the bacterial DnaG primase. For example, the non-fusion pYES2 vector (xbal, Sphl, Shol, Notl, GstXI, EcoRI, BstXI, BamHl, Sad, Kpnl, and Hindlll cloning sit; Invitrogen) or the fusion pYESHisA, B, C (Xbal, Sphl, Shol, Notl, BstXI, EcoRI, BamHl, Sad, Kpnl, and Hindlll cloning site, N-terminal peptide purified with ProBond resin and cleaved with enterokinase; Invitrogen), to mention just two, can be employed according to the invention.

Once a particular recombinant DNA molecule is identified and isolated, several methods known in the art may be used to propagate it. Once a suitable host system and growth conditions are established, recombinant expression vectors can be propagated and prepared in quantity. As previously explained, the expression vectors which can be used include, but are not limited to, the following vectors or their derivatives: human or animal viruses such as vaccinia virus or adenovirus; insect viruses such as baculovirus; yeast vectors; bacteriophage vectors (e.g., lambda), and plasmid and cosmid DNA vectors, to name but a few.

Vectors are introduced into the desired host cells by methods known in the art, e.g., transfection, electroporation, microinjection, transduction, cell fusion, DEAE dextran, calcium phosphate precipitation, lipofection (lysosome fusion), use of a gene gun, or a DNA vector transporter [see, e.g., Wu et al., J. Biol. Chem., 267:963-967 (1992); Wu and Wu, J. Biol. Chem., 263:14621-14624 (1988); Hartmut et al., Canadian Patent Application No. 2,012,311, filed Mar. 15, 1990). Isolation and Crystallization of DnaG primase

The present invention provides a Staphylococcus aureus DnaG primase that can be crystallized into a crystal that effectively diffracts X-rays for the determination of the atomic coordinates of the Staphylococcus aureus DnaG primase to a resolution of better than 5.0 Angstroms and preferably to a resolution equal to or better than 2.5 Angstroms. The DnaG primase can be expressed either as described below in the Example, or as described above. The present invention further provides an Escherichia coliDnaG primase that can be crystallized into a crystal that is suitable for soaking manganese and other potential ligands into the crystal. Such crystals effectively diffract X-rays for the determination of the atomic coordinates of the Escherichia coliDnaG primase in complex with manganese to a resolution of better than 5.0 Angstroms and preferably to a resolution equal to or better than 2.5 Angstroms.

Crystals of the DnaG primase of the present invention can be grown by a number of techniques including batch crystallization, vapor diffusion (either by sitting drop or hanging drop) and by microdialysis. Seeding of the crystals in some instances is required to obtain X-ray quality crystals. Standard micro and/or macro seeding of crystals may therefore be used.

The present invention also provides for Staphylococcus aureus DnaG primase crystals and Escherichia coliDnaG primase crystals wherein the crystals are formed in the presence of a ligand. Such crystals effectively diffract X-rays for the determination of the atomic coordinates of the DnaG primase in complex with such ligand to a resolution of better than 5.0 Angstroms and preferably to a resolution equal to or better than 2.5 Angstroms.

The present invention further provides for Staphylococcus aureus DnaG primase crystals and Escherichia coliDnaG primase crystals wherein a ligand is soaked into the crystals. The crystals may be stabilized prior to soaking through addition of chemical cross-linking agents. Such crystals effectively diffract X-rays for the determination of the atomic coordinates of the DnaG primase in complex with such ligand to a resolution of better than 5.0 Angstroms and preferably to a resolution equal to or better than 2.5 Angstroms. Structure determination

Once crystals have been obtained, one skilled in the art may use one of many methods to determine the structure of the crystallized macromolecule or macromolecular complex. Diffraction data may be collected using X-rays from synchrotron radiation sources or conventional radiation sources (such as a rotating anode). Similarly multi-wavelength anomalous dispersion data may be collected using X-rays at two or more wavelengths selected in accordance with the absorption edge and inflection point of the anomalous scatterer in the crystal. Such data may be processed using a number of programs or program suites including, but not limited to, DENZO and SCALEPACK (Z. Otwinowski and W. Minor), MOSFLM, and CCP4.

One of ordinary skill in the art may determine the structure using a number of methods or a combination of such methods. Examples include multiwavelength anomalous dispersion, single-wavelength anomalous dispersion, multiple isomorphous replacement, molecular replacement, and direct replacement.

Identification of Inhibitors of DnaG primase

Once the three-dimensional structure of a crystal comprising a Staphylococcus aureus DnaG primase or Escherichia coliDnaG primase is determined, (e.g., see the coordinates in Table 1-3 below,) a potential modulator of the DnaG primase, can be examined through the use of computer modeling using a docking program such as GRAM, DOCK, or AUTODOCK [Dunbrack et al., Folding & Design, 2:27-42 (1997)], such as to identify potential modulators of DnaG primase function that may have the desired inhibitory or stimulatory effects on enzyme function. This procedure can include computer fitting of potential modulators to the DnaG primase to ascertain how well the shape and the chemical structure of the potential modulator will bind to key features of the DnaG primase structure [Bugg et al., Scientific American, Dec.:92-98 (1993); West et al., TIPS, 16:67-74 (1995)]. Computer programs can also be employed to estimate the attraction, repulsion, and steric hindrance of the subunits with a modulator (e.g., the DnaG primase and a potential stabilizer).

The structure herein provides the experimental framework for the application of any approach wherein the high-resolution crystal coordinates are employed in either Total rational design' or 'Semi-rational design' efforts. 'Total rationale design' efforts would encompass all approaches wherein small molecule modulators of DnaG primase function are designed de novo based on information relating to the high-resolution structure of the protein. Such de novo designed molecules could thereafter be synthesized and their ability to interact with the protein could be tested by studies of the effects of the compounds on enzymatic function, any experimental approach wherein compound binding to the protein is measured, or through the determination of a high resolution structure of a complex formed between the protein and the small molecule compound (as achievable through X-ray crystallographic or nuclear magnetic resonance techniques). In contrast, 'Semi-rationale design' efforts would encompass all approaches wherein the high resolution structure of the protein is used to define the binding mode of DnaG modulators that have been identified through the application of biochemical high-throughput screening methodologies, virtual screening methodologies, or any other assay that yields small molecule modulators of DnaG primase function. Once the binding mode is defined, the high-resolution crystal structure provided herein may thereafter be utilized in order to enhance the binding characteristics of such molecules through systematic improvements in the binding affinity between the protein and the small molecule.

One region that provides a preferred target for either rational or semi- rational drug design approaches is the active site of the enzyme and the transcript-binding site. For example in the present invention, inspection of the refined structures reveals the presence of a sulfate-binding site that lies on one wall of the active site cleft for nucleic acid synthesis in the Staphylococcus aureus DnaG primase. The sulfate-binding site sits opposite of a metal binding center, which itself resides in a region known as the 'toprim' subdomain. The sulfate is coordinated by several amino acids from subdomain I of the Staphylococcus aureus core including Tyrl42, Argl46, Arg222, Lys230, and Tyr231. All of these residues are highly conserved or invariant among bacterial DnaG-type primases. Since amino acids directly adjacent to the sulfate-binding region have been shown be important for activity, it is likely that the sulfate ion marks an association region for the phosphates of either single-stranded DNA and/or incoming ribonucleotide tri phosphates. Residues in this sulfate-binding region or in neighboring segments of the active site therefore represent one possible first-pass target for the creation of small molecule inhibitors that would disrupt their normal associations with natural ligands during DNA replication.

A potential modulator can also be obtained by initially screening a random peptide library produced by recombinant bacteriophage for example, [Scott and Smith, Science, 249:386-390 (1990); Cwirla et al., Proc. Natl. Acad. Sci., 87:6378-6382 (1990); Devlin et al., Science, 249:404-406 (1990)]. A peptide selected in this manner would then be systematically modified by computer modeling programs as described above, and then treated analogously to a structural analog as described below.

A series of high throughput screening (HTS) assay methodologies have previously been described that can be utilized to identify inhibitors (or other modulators) of the activity of RNA polymerase enzymes, including DnaG primases (see USP 5,635,349 and USP 6,043,038 which are hereby incorporated by reference). A diagrammatic representation of such a HTS assay is shown in Figure 1.

Figure 1 shows a diagrammatic representation of the type of high throughput screening (HTS) assay that can be utilized for the identification of inhibitors (or other modulators) of the activity bacterial DnaG primases.

Briefly, the assay employs custom-prepared screening plates upon which an antibody has been immobilized that specifically recognizes RNA: DNA hybrid products (as synthesized by DnaG primase). At the start of the reaction, a single stranded, circular DNA template is combined with the DnaG primase protein, ribonucleotides (NTP's), test compound or mixture thereof (labeled 'drug in a buffer compatible with enzyme activity as shown in Figure IA. During incubation of the reaction plates at room temperature, the reaction products (in the form of RNA:DNA hybrids) are immobilized onto the surface of the reaction plate through the high affinity interaction with the antibody as shown in Figure IB. After incubation for a fixed period, the reaction plate is washed as shown in Figure IC, and a second soluble form of the RNA:DNA hybrid specific antibody is added that is conjugated to an enzyme. During a second incubation period, this second antibody form also forms high affinity interactions with the surface-immobilized RNA: DNA reaction product to form an antibody-antigen-antibody 'sandwich' as shown in Figure ID. A second washing step is then used to remove excess soluble antibody, and an enzyme substrate is then added to the reaction wells. Reaction of the antibody-conjugated enzyme with the substrate yields a chemiluminescent product which is detected by a chemiluminescence detection device as indicated in Figure IE. In this HTS assay format, the presence of test compounds which are inhibitory to DnaG function are detected by a reduction in the intensity of the chemiluminescence signal detected (by reference to control reaction wells where no test substances are added).

In addition, a variety of additional experimental assays have been described for DnaG primase that are not readily adaptable for use in HTS applications, but which are useful in experimentally verifying (or further characterizing) the activity of enzyme inhibitors (or other modulators) identified from HTS. These include methods wherein the RNA products synthesized by DnaG primase from a deoxyribonucleotide template are analyzed by electrophoresis (See for example Swart J.R and Griep M.A, Journal of Biological Chemistry volume 268(17): pp.12970-6 (1993), Swart J.R and Griep M.A, Biochemistry volume 34(49): pp.16097-106 (1995) and Mendelman LV, Methods in Enzymology volume 262: pp. 405-14 (1995)). High-throughput screening assays of bacterial DnaG primases (as exemplified in diagrammatic form in Figure 1) are undertaken to identify small molecule inhibitors of enzymatic function.

An example of data generated from such an assay is included in Figure 2. These studies employed preparations of a full-length version of the DnaG primase protein of Escherichia coli and a truncated form of the protein corresponding to a core catalytic domain for which a high-resolution crystal structure was previously obtained. Figure 2A is a representative example of data obtained using a electrophoresis gel based assay to characterize the activity of different recombinant forms of Escherichia coliDnaG primase. Assays were performed with proteins prepared and purified as described previously (Keck J.L etal., Science volume 287: pp. 2482-86 (2000)) and combined in P³²-UTP incorporation assays that employed a DNA oligonucleotide substrate which includes the bacteriophage G4 origin of replication (Swart J.R and Griep M.A, Journal of Biological Chemistry volume 268(17): pp.12970-6 (1993)). Reaction products for the full-length form of the Escherichia coliDnaG enzyme (Lane 3) and a 36.5 kDa catalytic core domain thereof (Lane 4) were separated on a 20% denaturing polyacrylamide gel and the size of the reaction products estimated by comparison to reference deoxyoligonucleotide sizing markers (Lanes 1 & 2).

Figure 2B shows representative data obtained in the characterization of DnaG primase inhibitors identified using the HTS assay shown in Figure 1. Test inhibitors 1, 2 and 3 are synthetic, organic chemical compounds with molecular weights in the 350-650 Dalton range that are components of the Cumbre (and Tularik) synthetic compound collection that were originally identified in a high- throughput screen directed against the Escherichia α?//DnaG primase protein, and which were subsequently found to be equipotent against the 36.5 kDa core catalytic domain of the protein for which a high resolution crystal structure was obtained (Keck J.L etal., Science volume 287: pp. 2482-86 (2000)).

Once a potential modulator/inhibitor is identified through HTS or other drug screening approaches, then structural analogs of it can be selected from a library of chemicals as are commercially or otherwise available from many large chemical companies including Sigma-Aldrich, Fluka, Merck, GlaxoSmith-Kline, Bristol Meyers Squib, Monsanto/Searle, Eli Lilly, Novartis and Pharmacia UpJohn, or alternatively the potential modulator may be synthesized de novo. As previously mentioned, the de novo synthesis of one or even a relatively small group of specific compounds is reasonable in the art of drug design. The potential modulator can be placed into a standard binding assay with DnaG primase or an active fragment thereof, for example. The subunit fragments can be synthesized by either standard peptide synthesis described above, or generated through recombinant DNA technology or classical proteolysis. Alternatively the corresponding full-length proteins may be used in these assays.

In this case the dissociation constant for the Staphylococcus aureus DnaG primase or the Escherichia coliDnaG primase can be determined by monitoring changes in the refractive index with respect to time as buffer is passed over a chip. [O'Shannessy et al. Anal. Biochem. 212:457-468 (1993); Schuster et al., Nature 365:343-347 (1993)]. Scatchard Plots, for example, can be used in the analysis of the response functions using different concentrations of a particular subunit. Flowing a potential modulator at various concentrations over the DnaG primase and monitoring the response function (e.g., the change in the refractive index with respect to time) allows the DnaG primase dissociation constant to be determined in the presence of the potential modulator and thereby indicates whether the potential modulator is either an inhibitor, or an agonist of the bacterial DnaG primase complex.

In a further aspect of the present invention, the disclosed methods may be used-to identify potential modulators that affect one DnaG primase but not the other or affect both DnaG primases. Instead of utilizing one DnaG primase structure by itself, one or more Staphylococcal aureus DnaG primase structures are aligned with one or more Escherichia coliDnaG primase structures. One of skill in the art is familiar with a number of computer programs that can align such structures. The structures may be aligned using all atoms in the structure or more preferably by aligning the atoms at or around the desired binding site. With the superimposed structures, potential modulators may be designed, selected or identified based on their ability to interact with both structures optimally or with one structure and not the other. Selectivity for one DnaG primase and not the other may achieved by taking advantage of differences in the chemical properties of the surfaces of the two DnaG primases. Such differences in chemical properties could include polar vs. non-polar, positive vs. negative charges, differential hydrogen bonding ability, and steric differences.

Figure 4 shows an example of such an alignment. As can be seen in the figure, the metal binding site 22 on the right shows a fair degree of overlap and as such would be a good first-pass target for design or screening of potential modulators that act on both DnaG primases. Furthermore, the pair of metals in each structure are separated by different distances. The pair of manganese ions in the Escherichia coliDnaG primase structure are ~7 Angstroms apart whereas the pair of magnesium ions in the Staphylococcus aureus DnaG primase structure are ~5.3 Angstroms apart. Thus potential modulators that bind across both bound metals in one DnaG primase would be unlikely to bind to the other DnaG primase.

In another aspect of the present invention a potential modulator is assayed for its ability to inhibit the Staphylococcus aureus DnaG primase. A modulator that inhibits the Staphylococcus aureus DnaG primase can then be selected. In a particular embodiment, the effect of a potential modulator on the catalytic activity of bacterial DnaG primase is determined. The potential modulator is then be added to a bacterial culture to ascertain its effect on bacterial proliferation. A potential modulator that inhibits Staphylococcus aureus proliferation can then be selected.

When suitable potential modulators of DnaG function are identified through HTS assays or other approaches, a supplemental crystal can be grown which comprises the Staphylococcus aureus or Escherichia coliDnaG primase, as appropriate, and the potential modulator. The supplemental crystal may be obtained by growing the crystal in the presence of the potential modulator or by adding the potential modulator to the crystal to soak the potential modulator into the crystal. Preferably the crystal effectively diffracts X-rays for the determination of the atomic coordinates of the protein-ligand complex to a resolution of better than 5.0 Angstroms, more preferably equal to or better than 2.5 Angstroms. The three-dimensional structure of the supplemental crystal is determined by Molecular Replacement Analysis. Molecular replacement involves using a known three-dimensional structure as a search model to determine the structure of a closely related molecule or protein-ligand complex in a new crystal form. The measured X-ray diffraction properties of the new crystal are compared with the search model structure to compute the position and orientation of the protein in the new crystal. Computer programs that can be used include: X-PLOR (see above), CNS, (Crystallography and NMR System, a next level of XPLOR), and AMORE [J. Navaza, Acta Cryst ASO, 157-163 (1994)]. Once the position and orientation are known an electron density map can be calculated using the search model to provide X-ray phases. Thereafter, the electron density is inspected for structural differences and the search model is modified to conform to the new structure.

A candidate drug can be selected by performing rational drug design with the three-dimensional structure determined for the supplemental crystal, preferably in conjunction with computer modeling discussed above. The candidate drug (e.g., a potential modulator of bacterial DnaG primase) can then be assayed as exemplified above, or in situ. A candidate drug can be identified as a drug, for example, if it inhibits Staphylococcus aureus proliferation or Escherichia coli proliferation.

A potential inhibitor (e.g., a candidate drug) would be expected to interfere with Staphylococcus aureus growth, Escherichia coli growth, or both, depending upon the overall design strategy. Therefore, an assay that can measure either Escherichia coli growth or Staphylococcus aureus growth may be used to identify a candidate drug.

Methods of testing a potential anti Staphylococcus aureus or anti Escherichia coli agents (e.g., the candidate drug) in an animal model are well known in the art, and can include standard bactericidal assays.

The potential modulators can be administered by a variety of ways including topically, orally, subcutaneously, or intraperitoneally depending on the proposed use. Generally, at least two groups of animals are used in the assay, with at least one group being a control group which is administered the administration vehicle without the potential modulator.

For all of the drug screening assays described herein further refinements to the structure of the drug will generally be necessary and can be made by the successive iterations of any and/or all of the steps provided by the particular drug screening assay.

Once a drug is identified, it can be administered as a pharmaceutical composition to humans. Such drugs may be administered intravenously, e.g. in a hospital setting. The drugs may also be administered orally. Oral compositions are particularly useful for pediatric and elderly patients. The drugs may contain various pharmaceutical excipients to enhance their effect.

The present invention may be better understood by reference to the following non-limiting Example, which is provided as exemplary of the invention. The following example is presented in order to more fully illustrate the preferred embodiments of the invention. It should in no way be construed, however, as limiting the broad scope of the invention.

The present invention is not to be limited in scope by the specific embodiments describe herein. Indeed, various modifications of the invention in addition to those described herein will become apparent to those skilled in the art from the foregoing description and the accompanying figures. Such modifications are intended to fall within the scope of the appended claims.

It is further to be understood that all base sizes or amino acid sizes, and all molecular weight or molecular mass values, given for nucleic acids or polypeptides are approximate, and are provided for description.

Various publications are cited herein, the disclosures of which are incorporated by reference in their entireties.

Example 1

Cloning, Expression, Purification, and Crystallization of DnaG primase Domain of 5. aureus Primase in complex with Sulfate

Molecular Cloning

Expression cloning of S. aureus DnaG primase was performed using the DnaG open reading frame as determined at Tularik Inc. (sequence encoding 606 amino acids).

The S. aureus protein sequence (full-length protein) is:

LRIDQSIINEIKDKTDILDLVSEYVKLEKRGRNYIGLCPFHDEKTPSFTVSEDKQIC

HCFGCKKGGNVFQFTQEIKDISFVEAVKELGDRVNVAVDIEATQSNSNVQIASDD

LQMIEMHELIQEFYYYALTKTVEGEQALTYLQERGFTDALIKERGIGFAPDSSHFC

HDFLQKKGYDIELAYEAGLLSRNEENFSYYDRFRNRIMFPLKNAQGRIVGYSGRTY

TGQEPKYLNSPETPIFQKRKLLYNLDKARKSIRKLDEIVLLEGFMDVIKSDTAGLKN

WATMGTQLSDEHΓΓFIRKLTSNΓTLMFDGDFAGSEATLKTGQHLLQQGLNVFVI

QLPSGMDPDEYIGKYGNDAFTTFVKNDKKSFAHYKVSILKDEIAHNDLSYERYLKE

LSHDISLMKSSILQQKAINDVAPFFNVSPEQLANEIQFNQAPANYYPEDEYGGYDE

YGGYIEPEPIGMAQFDNLSRGEKAERAFLKHLMRDKDTFLNYYESVDKDNFTNQH

FKYVFEVLHDFYAENDQYNISDAVQYVNSNELRETLISLEQYNLNDEPYENEIDDY

VNVINEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM (SEQ ID

NO:l)

The S. aureus protein sequence ('core' domain only) is:

ASDDLQMIEMHELIQEFYYYALTKTVEGEQALTYLQERGFTDALIKERGIGFAPDS SHFCHDFLQKKGYDIELAYEAGLLSRNEENFSYYDRFRNRIMFPLKNAQGRIVGYS GRTYTGQEPKYLNSPETPIFQKRKLLYNLDKARKSIRKLDEIVLLEGFMDVIKSDTA GLKNWATMGTQLSDEHΓΓFIRKLTSNΓΓLMFDGDFAGSEATLKTGQHLLQQGLN VFVIQLPSGMDPDEYIGKYGNDAFTTFVKNDKKSFAHYKVSILKDEIAHNDLSYER

YLKELSHDISLMKSSILQQKAINDVAPFFNVSPEQLANEIQFNQAPANYYP (SEQ ID NO:2) The DNA Sequence encoding SEQ ID N0:1 is: ttgcgaatagatcaatcgatcattaatgaaataaaagataaaaccgacattttagacttggtaagtgaatatgtaaaact agaaaagagaggacgcaattatataggtttgtgtccttttcatgatgaaaagacaccttcatttacagtttctgaagata aacaaatctgtcattgttttggttgtaaaaaaggtggcaatgtttttcaatttactcaagaaattaaagacatatcattt gttgaagcggttaaagaattaggtgatagagttaatgttgctgtagatattgaggcaacacaatctaactcaaatgttca aattgcttctgatgatttacaaatgattgaaatgcatgagttaatacaagaattttattattacgctttaacaaagacag tcgaaggcgaacaagcattaacatacttacaagaacgtggttttacagatgcgcttattaaagagcgaggcattggcttt gcacccgatagctcacatttttgtcatgattttcttcaaaaaaagggttacgatattgaattagcatatgaagccggatt attatcacgtaacgaagaaaatttcagttattacgatagatttcgaaatcgtattatgtttcctttgaaaaatgcgcaag gaagaattgttggatattcaggtcgaacatataccggtcaagaaccaaaatacctaaatagtcctgaaacgcctatcttt caaaaaagaaagttgttatataacttagataaagcacgtaaatcaattagaaaattagatgaaattgtattactagaagg ttttatggatgttataaaatctgatactgctggcttgaaaaacgttgttgcaacaatgggtacacagttgtcagatgaac atattacctttatacgaaagttaacatcaaatataacattaatgtttgatggggattttgcgggtagtgaagcaacactt aaaacaggtcaacatttgttacagcaagggctaaatgtatttgttatacaattgccatctggcatggatccggatgaata cattggtaagtatggcaacgacgcatttactacttttgtaaaaaatgacaaaaagtcatttgcacattataaagtaagta tattaaaagatgaaattgcacataatgacctttcatatgaacgttatttgaaagaactgagtcatgacatttcacttatg aagtcatcaattctgcaacaaaaggctataaatgatgttgcgccatttttcaatgttagtcctgagcagttagctaacga aatacaattcaatcaagcaccagccaattattatccagaagatgagtatggcggttatgatgagtatggcggttatattg aacctgagccaattggtatggcacaatttgacaatttgagccgtcgagaaaaagcggagcgagcatttttaaaacattta atgagagataaagatacatttttaaattattatgaaagtgttgataaggataacttcacaaatcagcattttaaatatgt attcgaagtcttacatgatttttatgcggaaaatgatcaatataatatcagtgatgctgtgcagtatgttaattcaaatg agttgagagaaacactaattagcttagaacaatataatttgaatggcgaaccatatgaaaatgaaattgatgattatgtc aatgttattaatgaaaaaggacaagaaacaattgagtcattgaatcataaattaagggaagctacaaggattggcgatgt agaattacaaaaatactatttacagcaaattgttgctaagaataaagaacgcatg (SEQ ID NO: 3)

The DNA Sequence encoding SEQ ID N0:2 is: gctagcgatgatttacaaatgattgaaatgcatgagttaatacaagaattttattattacgctttaacaaagacagtcga aggcgaacaagcattaacatacttacaagaacgtggttttacagatgcgcttattaaagagcgaggcattggctttgcac ccgatagctcacatttttgtcatgattttcttcaaaaaaagggttacgatattgaattagcatatgaagccggattatta tcacgtaacgaagaaaatttcagttattacgatagatttcgaaatcgtattatgtttcctttgaaaaatgcgcaaggaag aattgttggatattcaggtcgaacatataccggtcaagaaccaaaatacctaaatagtcctgaaacgcctatctttcaaa aaagaaagttgttatataacttagataaagcacgtaaatcaattagaaaattagatgaaattgtattactagaaggtttt atggatgttataaaatctgatactgctggcttgaaaaacgttgttgcaacaatgggtacacagttgtcagatgaacatat tacctttatacgaaagttaacatcaaatataacattaatgtttgatggggattttgcgggtagtgaagcaacacttaaaa caggtcaacatttgttacagcaagggctaaatgtatttgttatacaattgccatctggcatggatccggatgaatacatt ggtaagtatggcaacgacgcatttactacttttgtaaaaaatgacaaaaagtcatttgcacattataaagtaagtatatt aaaagatgaaattgcacataatgacctttcatatgaacgttatttgaaagaactgagtcatgacatttcacttatgaagt catcaattctgcaacaaaaggctataaatgatgttgcgccatttttcaatgttagtcctgagcagttagctaacgaaata caattcaatcaagcaccagccaattattatcca(SEQ ID N0:4) DNA sequence encoding amino acids 109 through 439 (DnaG-primase) SEQ ID NO:4 were amplified by the polymerase chain reaction method using Vent DNA Polymerase. Ndel and Hindlll restriction sites were introduced to the amplified DNA segment through the use of extended PCR primers. The vector chosen was pET28b* (Novagen) plasmid which will include an N-terminal hexahistadine tag with a thrombin cleavage site for tag removal. PCR products were initially purified with a QIAquick PCR Product Purification Kit (Qiagen). Purified PCR products as well as pET28b* plasmid vector were restriction digested with Ndel and Hindlll to produce molecular ends conducive for subsequent ligation. Digested PCR products as well as plasmid vector were purified using a 0.8% agarose gel. DNA fragments of correct length were excised from the gel under UV visualization and isolated using a QIAquick Gel Extraction Kit (Qiagen). The digested PCR product was ligated into the digested vector using T4 DNA ligase at 16° C overnight. The ligation mixture was mixed with electrocompetent E cø//XLL-Blue cells, electroporated, re-suspended in SOC media, incubated for under agitation for 1 hour, and plated on LB agar plates supplemented with 50 μg/ml Kanamycin. Plates were incubated overnight at 37° C. Transformed colonies were grown in 5 ml LB cultures supplemented with 50 μg/ml Kanamycin and plasmid was isolated using a QIAprep Spin Miniprep Kit (Qiagen). Plasmids were verified for the correct nucleotide sequence in house at Tularik.

Expression and Purification of Selenomethionine Protein Isolated recombinant plasmid was used to transform BL21(DE3) codon plus E coli cells. Recombinant plasmid was added to chemically competent BL21(DE3) codon plus cells. The cells were then heat shocked at 42° C for 45 seconds, re-suspended in 2xTY media, and incubated at 37° C under agitation for one hour. Cells were then plated onto LB agar plates supplemented with 50 μg/ml Kanamycin and 34 μg/ml Chloramphenicol. The following day a single transformed colony was inoculated into a 25 ml 2xTY culture supplemented with 50 μg/ml Kanamycin and 34 μg/ml Chloramphenicol and allowed to grow to saturation overnight. The following morning 2L of minimal media were made. Minimal Media: lx M9 Salts (final concentrations)

2 mM MgSO₄

0.4% Glucose

100 μM CaCI₂

1 mg/ml Thiamine HCl

50 μg/ml Kanamycin

34 μg/ml Chloramphenicol

Sterile MQ Water Approximately 10 ml of saturated bacterial overnight culture were pelleted for each liter of minimal media culture to be prepared. Supernatant was decanted, and cells were washed with 5 ml of minimal media and re-pelleted. The supernatant was decanted and each pellet re-suspended in 1 ml of minimal media. Each 1 L flask of minimal media was inoculated with 1 ml washed cell suspension. Cells were grown at 37° C at about 200 rpm until OD(600 nm) reached 0.3.

The following mixture was made:

104 mg Leucine, Isoleucine, and Valine

208 mg Phenylalanine, Threonine, and Lysine

104 mg Selenomethionine in 25 ml total solution 12 ml of amino acid solution was introduced into each 1 L flask and allowed to continue incubation for 20 minutes at which time 1 mM IPTG was added to induce protein over-expression. IPTG induction was performed for 3 hours, following which cells were pelleted, flash frozen in liquid nitrogen and stored at -80° C. Frozen cell pellets were resuspended using low imidazole buffer supplemented with lmM PMSF and 1 μg/ml leupeptin and immediately lysed by sonication. The lysed mixture was clarified by centrifugation at 14000 rpm for 30 minutes. DnaG-RNAP purification began by applying lysate to a Ni- NTA Superflow (Qiagen) chromatography column. Column was washed with ~200 mis low imidazole buffer and step eluted with high imidazole buffer supplemented with 1 μg/ml leupeptin. Eluted fractions were concentrated and then loaded onto a Sephacryl S-300 HR size-exclusion column pre-equilibrated with S-300 buffer supplemented with 1 μg/ml leupeptin. Fractions were analyzed by SDS-PAGE and appropriate fractions were pooled and concentrated.

Low Imidazole Buffer High Imidazole Buffer

300 mM NaCl 300 mM NaCl

20 mM Tris pH 8.0 20 mM Tris pH 8.0

5 mM Imidazole 100 mM Imidazole

1 mM BME 1 mM BME

10% glycerol 10% glycerol

S-300 Buffer 300 mM NaCl 20 mM Tris pH 8.0 1 mM EDTA 1 mM BME 10% glycerol

Crystallization

Concentrated His-tagged DnaG-RNAP was dialyzed against 20 mM Tris pH 8.0, 50 mM NaCl, 1 mM DTT and diluted to ~ 8.0 mg/ml before crystallization. Crystals of His-tagged DnaG-RNAP were formed by hanging drop vapor diffusion by mixing 0.9 μl of protein with 0.9 μl of well solution [0.22-0.3 M Na₂SO₄, 0.2% PEG 8000, 0.05 M sodium cacodylate (pH 6.5), 0.001 M DTT] and then adding 0.2 μl of a 10% w/v solution of benzamidine hydrochloride and equilibrating the drop against 1 ml of well solution at room temperature. Crystals appear overnight.

Harvesting Native and Selenomethionine Crystals

Crystals were harvested and frozen for data collection by the following method. Coverslips were inverted so that the hanging drop containing the crystals faced upward. Approximately 4 μl of well solution was added to the drop containing crystals. Crystals of choice were removed from the drop by micropipette and transferred to a solution of mother liquor supplemented with 1% w/v (final concentration) benzamidine hydrochloride and 5% ethylene glycol as a cryoprotectant. After five minutes, the crystal was transferred by micropipette to another solution identical to the last except supplemented with 15% ethylene glycol. After another five minutes a final transfer was made to another identical solution except supplemented with 25% ethylene glycol. After five minutes in this solution, the crystal of choice was removed using a cryoloop and flash frozen in liquid nitrogen.

Data Collection and Structure Determination Diffraction data was collected on beamline 5.0.2 at the Advanced Light Source (ALS) at Lawrence Berkeley National Laboratory (LBNL). Selenomethionine crystals were fluorescence scanned to determine what x-ray wavelengths would be used. A three-wavelength MAD (multi-wavelength anomalous dispersion) data set was collected. The wavelengths chosen were 1.1 A as low-energy remote, 0.9794 A as the inflection, and 0.9792 A as the peak. Elves software (James Holton, incorporating the CCP4 suite of programs) was used in order to determine the amount of data to be collected and to process the data. One hundred (100) diffraction images were collected for each wavelength. The structure was built with the graphics program O and refined with REFMAC/ARP to l.δA resolution. Example 2

Crystallization of DnaG primase Domain of S. aureus Primase in complex with Magnesium

Crystallization

Concentrated His-tagged protein was dialyzed against 20 mM Tris pH 8.0, 50 mM NaCl, lmM DTT. The effective concentration of protein used for crystallization was ~8-10 mg/ml. Crystals were formed using the hanging drop vapor diffusion technique by mixing 0.9 μl of protein with 0.9 μl of well solution [0.2-0.28 M MgS0₄, 0.2% PEG 8000, 0.05 M sodium cacodylate (pH 6.5), 0.001 M DTT] and then adding 0.2 μl of a 10% w/v solution of benzamidine hydrochloride and equilibrating the drop against 1 ml of well solution at room temperature. Crystals appear overnight.

Harvesting crystals

Crystal harvesting was performed as described in E . xample 1.

Data Collection and Structure Determination

Diffraction data was collected on beamline 8.3.1 at the Advanced Light Source at Lawrence Berkeley National Laboratory. Diffraction data was collected from a magnesium co-crystal using an x-ray wavelength of 1.000 A. Elves software (incorporating the CCP4 suite of programs) was used to determine the amount of data to be collected and to process the data. Seventy (70) diffraction images were collected. WARP was used to produce the initial refined model. The structure was rebuilt with the graphics program O and refined with REFMAC/ARP to 1.6 A resolution. Example 3

Cloning, Expression, Purification, and Crystallization of DnaG primase Domain of Escherichia coli Primase in complex with Manganese

Purification and Crystallization

Hexahistidine-tagged core Escherichia cø//DnaG primase was purified as described in (J. Keck, 200, Science 287, 2482-2486), which is hereby incorporated by reference. The protein was crystallized by hanging-drop vapor diffusion by mixing a 0.9:0.9:0.2 volumetric ratio of well solution (18-20% PEG4000, 5% PEG200, 30% Ethylene Glycol, 0.2M Ammonium Acetate, 0.05M Sodium Acetate, pH 5.2-5.6, 0.1% Dioxane) : ~10 mg/ml DnaG-RNAP : 30 mM SrCI₂. Crystals formed after > 1 week at room temperature or were seeded to facilitate faster growth.

Crystal Soaks

Crystals were transferred to various conditions that included up to 0.1M concentrations of Mg²⁺ or Mn²⁺. In either case, transferring to these conditions resulted in rapid melting of the crystals. To stabilize the crystals for transfer, we first cross-linked the crystals by treatment with glutaraldehyde (G. Waksman, 1992, Nature 358(6388), 646-653; S.M. McWhirter, 1999, Proc. Natl. Acad. Sci. U S A 96, 8408-8413). Crystals were soaked in 19% PEG4000, 5% PEG200, 0.25M Sodium Acetate, pH5.6, 30 Ethylene Glycol, 0.1% glutaraldehyde at room temperature for 0.5-1.5 hours. After cross-linking, the crystals were incubated at room temperature in conditions that included high concentrations of divalent metal and at a higher pH (19% PEG4000, 0.2M Ammonium Acetate, 30% Ethylene Glycol, 50 mM Hepes, pH 7.5, 0.1-0.2 M Magnesium Chloride, or 0.005- 0.1M Manganese Chloride) for up to 1 week. The ammonium in the second soak quenched further glutaraldehyde cross-linking. Crystals were mounted and frozen in liquid nitrogen prior to data collection.

Data Collection and Structure Solution

Diffraction data of crystals soaked in either Mg²⁺ or Mn²⁺ were collected at beamline 5.0.2 at the Advanced Light Source in Berkeley. The structures of the various metal soaks were solved by molecular replacement using the previously solved E coli DnaG primase structure as an initial model (J. Keck, 2000, Science 287:2482-2486). Rotation and translation functions were carried out using AMoRe. Each structure had a single apparent solution. 2Fo-Fc and Fo-Fc maps were generated for each structure to facilitate minor manual rebuilding of the protein using O. Structures were refined with REFMAC/ARP with water molecules automatically placed by the program. The presence of a metal ion was judged in two ways. First, water molecules placed by REFMAC/ARP with very low B-factors were examined as potential metal ions. As a second criterion, the coordination of potential metal ions was examined and compared to the expected octahedral arrangement and short bond distances between a metal ion and its inner sphere ligands. This second criterion was the used exclusively with Mg²⁺-soaked crystals since the scattering factor of Mg²⁺ is similar to that of water. When metals were located, the water molecule was replaced with a metal ion and refinement of the structure was completed. Coordinates of crystal structures with Mn²⁺ are listed in Table 3.

Table 1

HEADER XX-XXX-XX xxx

COMPND

REMARK

REMARK REFINEMENT .

REMARK PROGRAM REFMAC 5.0

REMARK AUTHORS MURSHUDOV, VAGIN, DODSON

REMARK

REMARK REFINEMENT TARGET MAXIMUM LIKELIHOOD

REMARK

REMARK DATA USED IN REFINEMENT.

REMARK RESOLUTION RANGE HIGH (ANGSTROMS) 2.00

REMARK RESOLUTION RANGE LOW (ANGSTROMS) 20.00

REMARK DATA CUTOFF (SIGMA (F) ) NONE

REMARK COMPLETENESS FOR RANGE (%) 99.87

REMARK NUMBER OF REFLECTIONS 30607

REMARK

REMARK FIT TO DATA USED IN REFINEMENT.

REMARK CROSS-VALIDATION METHOD THROUGHOUT

REMARK FREE R VALUE TEST SET SELECTION RANDOM

REMARK R VALUE (WORKING + TEST SET) 0.21682

REMARK R VALUE (WORKING SET) 0.21401

REMARK FREE R VALUE 0.24860

REMARK FREE R VALUE TEST SET SIZE (%) 8.3

REMARK FREE R VALUE TEST SET COUNT 2773

REMARK

REMARK FIT IN THE HIGHEST RESOLUTION BIN.

REMARK TOTAL NUMBER OF BINS USED 20

REMARK BIN RESOLUTION RANGE HIGH 2.000

REMARK BIN RESOLUTION RANGE LOW 2.051

REMARK REFLECTION IN BIN (WORKING SET) 2217

REMARK BIN R VALUE (WORKING SET) 0.253

REMARK BIN FREE R VALUE SET COUNT 204

REMARK BIN FREE R VALUE 0.309

REMARK

REMARK NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

REMARK ALL ATOMS : 2795

REMARK

REMARK B VALUES.

REMARK FROM WILSON PLOT (A**2) NULL

REMARK MEAN B VALUE (OVERALL, A**2) 30.543

REMARK OVERALL ANISOTROPIC B VALUE.

REMARK Bll (A**2) 07

REMARK B22 (A**2) 07

REMARK B33 (A**2) 60

REMARK B12 (A**2) 53

REMARK B13 (A**2) 0.00

REMARK B23 (A**2) 0.00

REMARK

REMARK ESTIMATED OVERALL COORDINATE ERROR.

REMARK ESU BASED ON R VALUE (A)

0.167

REMARK ESU BASED ON FREE R VALUE (A)

0.155 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A) :

0.146

REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2) :

5.128

REMARK

REMARK 3 CORRELATION COEFFICIENTS.

REMARK 3 CORRELATION COEFFICIENT FO-FC 0.946

REMARK 3 CORRELATION COEFFICIENT FO-FC FREE 0.935

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS

WEIGHT

REMARK 3 BOND LENGTHS REFINED ATOMS (A) 2584 ; 0.011

0.022

REMARK 3 BOND LENGTHS OTHERS (A) : 2313 ; 0.001

0.020

REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES) : 3477 ; 1.300

1.972

REMARK 3 BOND ANGLES OTHERS (DEGREES) : 5395 ; o . .752

3.000

REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES) : 307 ; 3 . .706

3.000

REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES) : 476 ;15. .531

; 15.000

REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3) : 376 ; o . .072

0.200

REMARK 3 GENERAL PLANES REFINED ATOMS (A) : 2832 ; 0 , .004

0.020

REMARK 3 GENERAL PLANES OTHERS (A) : 544 ; 0 . .002

0.020

REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 655 ; 0.342

0.300

REMARK 3 NON-BONDED CONTACTS OTHERS (A) : 2246 r 0.222

0.300

REMARK 3 H-BOND (X ... Y) REFINED ATOMS (A) : 236 0.300

0.500

REMARK 3 H-BOND (X...Y) OTHERS (A) : 3 0.376

0.500

REMARK 3 SYMMETRY VDW REFINED ATOMS (A) : 23 r 0.208

0.300

REMARK 3 SYMMETRY VDW OTHERS (A) : 53 0.230

0.300

REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A) : 16 r 0.276

0.500

REMARK

REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS

WEIGHT

REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2) : 1542 ;r 0. .707

1.500

REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2) : 2474 j ^■ 1, .370

2.000

REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2) : 1042 ; ^■ 2. .074

3.000

REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2) : 1003 i ; 3, .437

4.500

REMARK

REMARK 3 NCS RESTRAINTS STATISTICS

REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3

REMARK 3

REMARK 3 TLS DETAILS

REMARK 3 NUMBER OF TLS GROUPS : 1

REMARK 3

REMARK 3 TLS GROUP : 1

REMARK 3 NUMBER OF COMPONENTS GROUP : 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE : A 1 A 428

REMARK 3 ORIGIN FOR THE GROUP (A) : 44.7808 94.1711 IC (.3356

REMARK 3 T TENSOR

REMARK 3 Til: 0.1310 T22: 0.0380

REMARK 3 T33: 0.0728 T12: -0.0704

REMARK 3 T13: -0.0776 T23: 0.0403

REMARK 3 L TENSOR

REMARK 3 Lil: 0.2377 L22: 2.0381

REMARK 3 L33: 0.3213 L12: 0.4258

REMARK 3 L13: -0.1828 L23: 0.2164

REMARK 3 S TENSOR

REMARK 3 Sll: -0.0058 S12: 0.0145 S13 : 0.0161

REMARK 3 S21: -0.0786 S22: -0.0091 S23 : 0.1718

REMARK 3 S31: 0.1198 S32: -0.0996 S33 : 0.0148

REMARK 3

REMARK 3

REMARK 3 BULK SOLVENT MODELLING

REMARK 3 METHOD USED : BABINET MODEL WITH MASK

REMARK 3 PARAMETERS FOR MASK CALCULATION

REMARK 3 VDW PROBE RADIUS 1.40

REMARK 3 ION PROBE RADIUS 0.80

REMARK 3 SHRINKAGE RADIUS 0.80

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS:

REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

REMARK 3

LINK SER A 189 TYR A 197 gap

LINK GLN A 227 PRO A 229 gap

CRYST1 152 356 152 356 36 652 90.00 90.00 120.00 P61

SC LEl 0.006564 0.003789 0.( 300000 0.00000

SCALE2 0.000000 0.007579 0.( 300000 0.00000

SCALE3 0.000000 0.000000 0.( D27284 0.00000

X Y Z OCC B-Factor

ATOM 1 N ASP A 111 25 .609 76.049 21.921 1 00 37 .73 N

ATOM 3 C ASP A 111 26 .872 75.913 22.714 1 00 36 90 C

ATOM 5 CB ASP A 111 27 .045 74.462 23.151 1 00 37 16 C

ATOM 8 CG ASP A 111 28 .313 74.226 23.967 1 00 36 .88 c

ATOM 9 OD1 ASP A 111 28 .277 74.455 25.187 1 00 38 59 0

ATOM 10 OD2 ASP A 111 29 .368 73.751 23.491 1 00 34 97 0

ATOM 11 C ASP A 111 28 .109 76.333 21.935 1 00 36 15 c

ATOM 12 O ASP A 111 28 .594 75.587 21.090 1 00 36 14 0

ATOM 15 N ASP A 112 28 .492 77.591 22.100 1 00 35 23 N

ATOM 17 CA ASP A 112 29 .806 78.110 21.762 1 00 34 22 C

ATOM 19 CB ASP A 112 30 .325 78.951 22.937 1 00 34 75 C

ATOM 22 CG ASP A 112 29 .411 80.113 23.264 1 00 36 35 c

ATOM 23 OD1 ASP A 112 28 .238 80.078 22.834 1 00 38 96 0

ATOM 24 OD2 ASP A 112 29 .777 81.106 23.929 1 00 40 .24 0 ATOM 25 c ASP A 112 30.883 77.097 21.390 . 00 32 .71 c

ATOM 26 O ASP A 112 31.446 77.172 20.296 . 00 31 . 86 o

ATOM 27 N LEU A 113 31.217 76.190 22.303 . 00 31.21 N

ATOM 29 CA LEU A 113 32.325 75.276 22.037 00 30 .36 C

ATOM 31 CB LEU A 113 32.750 74.484 23.274 00 30 .35 c

ATOM 34 CG LEU A 113 34.053 73.691 23.017 . 00 30 . 24 c

ATOM 36 CDI LEU A 113 35.209 74.588 22.526 . 00 29. 95 c

ATOM 40 CD2 LEU A 113 34.491 72.899 24.241 . 00 30 . 00 c

ATOM 44 C LEU A 113 31.999 74.348 20.871 . 00 29. 80 c

ATOM 45 O LEU A 113 32.865 74.034 20.062 . 00 28 .48 o

ATOM 46 N GLN A 114 30.749 73.910 20.795 1. 00 29. 89 N

ATOM 48 CA GLN A 114 30.319 73.089 19.671 1. 00 30 .48 C

ATOM 50 CB GLN A 114 28.862 72.657 19.832 . 00 30. 76 C

ATOM 53 CG GLN A 114 28.644 71.613 20.921 . 00 33 . 19 c

ATOM 56 CD GLN A 114 27.182 71.197 21.066 . 00 37. 08 c

ATOM 57 OE1 GLN A 114 26.467 71.022 20.063 . 00 38 . 27 o

ATOM 58 NE2 GLN A 114 26.736 71.028 22.311 . 00 38. 72 N

ATOM 61 C GLN A 114 30.505 73.901 18.384 . 00 30 .21 C

ATOM 62 O GLN A 114 30.948 73.371 17.365 . 00 30.17 O

ATOM 63 N MSE A 115 30.189 75.193 18.441 . 00 30 . 00 N

ATOM 65 CA MSE A 115 30.286 76.046 17.262 . 00 30. 13 C

ATOM 67 CB MSE A 115 29.660 77.394 17.519 1 . 00 30 . 80 C

ATOM 70 CG MSE A 115 28.198 77.277 17.851 1. 00 34. 62 C

ATOM 73 SE MSE A 115 27.460 79.029 18.114 00 44.51 SE

ATOM 74 CE MSE A 115 26.404 78.718 19.671 00 43.11 C

ATOM 78 C MSE A 115 31.719 76.205 16.818 00 28.92 C

ATOM 79 0 MSE A 115 31.993 76.256 15.626 00 28.55 O

ATOM 80 N ILE A 116 32.633 76.280 17.782 1.00 28.02 N

ATOM 82 CA ILE A 116 34.050 76.366 17.488 1.00 27.07 C

ATOM 84 CB ILE A 116 34.843 76.701 18.758 00 27.27 C

ATOM 86 CGI ILE A 116 34.563 78.143 19.194 00 28.03 C

ATOM 89 CDI ILE A 116 35.220 78.505 20.533 00 28.37 C

ATOM 93 CG2 ILE A 116 36.328 76.516 18.506 00 26.84 C

ATOM 97 C ILE A 116 34.557 75.038 16.904 00 26.23 C

ATOM 98 O ILE A 116 35.310 75.029 15.922 00 25.10 o

ATOM 99 N GLU A 117 34.160 73.929 17.516 00 25.73 N

ATOM 101 CA GLU A 117 34.579 72.603 17.040 00 25.72 C

ATOM 103 CB GLU A 117 34.108 71.481 17.990 00 25.96 C

ATOM 106 CG GLU A 117 35.032 71.340 19.217 00 26.81 c

ATOM 109 CD GLU A 117 34.537 70.413 20.319 00 27.74 c

ATOM 110 OE1 GLU A 117 33.515 69.739 20.137 1 00 26 87 o

ATOM 111 OE2 GLU A 117 35.199 70.349 21.382 1 00 28 82 o

ATOM 112 C GLU A 117 34.130 72.401 15.578 1 00 25 02 c

ATOM 113 O GLU A 117 34.878 71.876 14.748 1 00 24 36 o

ATOM 114 N MSE A 118 32.935 72.890 15.260 1 00 24 95 N

ATOM 116 CA MSE A 118 32.383 72.809 13.914 1 00 24 98 C

ATOM 118 CB MSE A 118 30.957 73.345 13.882 1 00 25 62 C

ATOM 121 CG MSE A 118 30.338 73.267 12.492 1 00 28 05 C

ATOM 124 SE MSE A 118 28.532 73.910 12.421 1 00 34 83 SE

ATOM 125 CE MSE A 118 27.699 72.635 13.568 1 00 34 60 C

ATOM 129 C MSE A 118 33.205 73.609 12.925 1 00 24 22 C

ATOM 130 O MSE A 118 33.476 73.150 11.814 1 00 23 82 o

ATOM 131 N HIS A 119 33.590 74.819 13.321 1 00 23 73 N

ATOM 133 CA HIS A 119 34.403 75.652 12.462 1 00 23 15 C

ATOM 135 CB HIS A 119 34.627 77.030 13.097 1 00 23 61 C

ATOM 138 CG HIS A 119 33.504 77.988 12.849 1 00 23 99 C

ATOM 139 ND1 HIS A 119 32.281 77.863 13.463 1 00 25 64 N ATOM 141 CEl HIS A 119 31..475 78.816 13..033 1.00 26.,28 C

ATOM 143 NE2 HIS A 119 32. 131 79. 554 12. ,159 1. 00 25. ,29 N

ATOM 145 CD2 HIS A 119 33. .400 79. 051 12. ,017 1. 00 25. .55 C

ATOM 147 C HIS A 119 35. ,736 74. 969 12. .214 1. 00 23. .07 C

ATOM 148 O HIS A 119 36. ,275 75. 002 11. .106 1. ,00 23. ,41 O

ATOM 149 N GLU A 120 36. ,283 74. 354 13. ,251 1. 00 22. ,67 N

ATOM 151 CA GLU A 120 37. ,592 73. 738 13. ,127 1. ,00 22. ,93 C

ATOM 153 CB GLU A 120 38. .218 73. ,521 14. .506 1. ,00 23. .16 C

ATOM 156 CG GLU A 120 38. ,656 74. 867 15. ,104 1. 00 23. .98 c

ATOM 159 CD GLU A 120 39. .120 74. ,823 16. .546 1. ,00 24. .14 c

ATOM 160 OEl GLU A 120 38. .917 73. ,821 17. .242 1. ,00 25. .07 0

ATOM 161 OE2 GLU A 120 39. .653 75. .853 17. .018 1. ,00 25. .65 0

ATOM 162 C GLU A 120 37. .514 72. .469 12. .276 1. .00 22. .95 c

ATOM 163 O GLU A 120 38. .451 72. .135 11. .543 1. .00 23. .10 0

ATOM 164 N LEU A 121 36. .372 71. .798 12. .312 1. .00 23. .02 N

ATOM 166 CA LEU A 121 36. .197 70. ,599 11. .490 1. .00 22. .82 C

ATOM 168 CB LEU A 121 35. .094 69. .722 12. .059 1. .00 22. .70 C

ATOM 171 CG LEU A 121 35. .596 68. .920 13. .264 1. .00 22. .71 C

ATOM 173 CDI LEU A 121 34. .454 68. .243 14. .035 1. .00 25. .19 c

ATOM 177 CD2 LEU A 121 36. .651 67. .900 12. .870 1. .00 22. .34 c

ATOM 181 C LEU A 121 35. .949 70. .949 10. .016 1. .00 23. .09 c

ATOM 182 O LEU A 121 36. .520 70. .345 9. .117 1. .00 22. .38 0

ATOM 183 N ILE A 122 35, .124 71. .957 9. .768 1. .00 23. .32 N

ATOM 185 CA ILE A 122 34. .823 72. .331 8. .403 1. .00 23. .35 c

ATOM 187 CB ILE A 122 33. .618 73. .267 8. .347 1. .00 23. .27 c

ATOM 189 CGI ILE A 122 32. .930 73. .141 6. .982 1. .00 24. .31 c

ATOM 192 CDI ILE A 122 31. .636 73. .918 6, .861 1. .00 25. .57 c

ATOM 196 CG2 ILE A 122 34. .047 74, .688 8, .682 1. .00 22. .87 c

ATOM 200 C ILE A 122 36. .055 72. .959 7, .734 1. .00 23. .66 c

ATOM 201 O ILE A 122 36. .169 72, .953 6, .514 1. .00 23, .06 0

ATOM 202 N GLN A 123 36. .983 73. .486 8. .532 1. .00 23. .74 N

ATOM 204 CA GLN A 123 38 .196 74, .051 7, .961 1. .00 23. .82 c

ATOM 206 CB GLN A 123 39 .140 74, .587 9, .045 1, .00 24, .00 c

ATOM 209 CG GLN A 123 40, .416 75, .226 8, .477 1. .00 25. .12 c

ATOM 212 CD GLN A 123 41 .478 74 .189 8, .153 1, .00 27, .41 c

ATOM 213 OEl GLN A 123 41 .559 73, .157 8, .827 1. .00 29. .76 0

ATOM 214 NΞ2 GLN A 123 42 .286 74 .447 7 .124 1, .00 26, .70 N

ATOM 217 C GLN A 123 38 .885 72 .949 7 .161 1, .00 23, .28 C

ATOM 218 O GLN A 123 39 .460 73, .185 6, .110 1, .00 22, .01 O

ATOM 219 N GLU A 124 38 .802 71 .728 7 .661 1, .00 22, .97 N

ATOM 221 CA GLU A 124 39 .458 70 .621 6, .992 1, .00 23, .40 C

ATOM 223 CB GLU A 124 39 .478 69 .372 7 .888 1, .00 23, .67 C

ATOM 226 CG GLU A 124 40 .286 69 .548 9 .153 1 .00 24 .91 C

ATOM 229 CD GLU A 124 40 .217 68 .'328 10 .061 1, .00 27, .81 C

ATOM 230 OEl GLU A 124 39 .365 67 .447 9 .814 1 .00 28, .02 O

ATOM 231 OE2 GLU A 124 41 .016 68 .250 11 .010 1, .00 26, .95 O

ATOM 232 C GLU A 124 38 .776 70 .331 5 .664 1 .00 22 .90 C

ATOM 233 O GLU A 124 39 .442 69 .965 4 .690 1 .00 23 .51 O

ATOM 234 N PHE A 125 37 .456 70 .508 5 .617 1, .00 22, .34 N

ATOM 236 CA PHE A 125 36 .692 70 .251 4 .388 1 .00 22 .27 C

ATOM 238 CB PHE A 125 35 .193 70 .192 4 .672 1, .00 22, .25 C

ATOM 241 CG PHE A 125 34 .704 68 .834 5 .117 1 .00 22 .61 c

ATOM 242 CDI PHE A 125 33 .678 68 .206 4 .440 1 .00 22 .77 c

ATOM 244 CEl PHE A 125 33 .235 66 .957 4 .838 1 .00 23, .53 c

ATOM 246 CZ PHE A 125 33 .807 66 .340 5 .931 1 .00 22 .94 c

ATOM 248 CE2 PHE A 125 34 .817 66 .960 6 .617 1 .00 23, .25 c

ATOM 250 CD2 PHE A 125 35 .271 68 .195 6 .208 1 .00 23 .08 c ATOM 252 C PHE A 125 36.967 71.345 3..361 1..00 22..28 C

ATOM 253 O PHE A 125 37.058 71.084 2. .165 1. .00 21. .58 O

ATOM 254 N TYR A 126 37.111 72.578 3. .830 1. .00 22. .35 N

ATOM 256 CA TYR A 126 37.378 73.694 2. .923 1. .00 22. .39 C

ATOM 258 CB TYR A 126 37.233 75.007 3. .656 1. .00 22, .52 C

ATOM 261 CG TYR A 126 35.811 75.431 3. .914 1. .00 22, .53 C

ATOM 262 CDI TYR A 126 34.809 75.214 2. .981 1. .00 21, .82 C

ATOM 264 CEl TYR A 126 33.512 75.629 3. .219 1. .00 21, .88 C

ATOM 266 CZ TYR A 126 33.218 76.289 4. .406 1. .00 23, .33 C

ATOM 267 OH TYR A 126 31.958 76.723 4. .691 1. .00 24, .89 O

ATOM 269 CE2 TYR A 126 34.194 76.517 5. .342 1. .00 23, .90 C

ATOM 271 CD2 TYR A 126 35.482 76.093 5. .094 1. .00 24. .22 C

ATOM 273 C TYR A 126 38.782 73.574 2. .361 1. .00 22. .45 C

ATOM 274 O TYR A 126 39.021 73.839 1. .194 1. .00 22. .72 O

ATOM 275 N TYR A 127 39.709 73.158 3. .205 1. .00 22. .74 N

ATOM 277 CA TYR A 127 41.076 72.934 2. .785 1. .00 23. .55 C

ATOM 279 CB TYR A 127 41.932 72.524 3. .989 1. .00 24. .37 C

ATOM 282 CG TYR A 127 43.375 72.262 3. .636 1. .00 25. .95 C

ATOM 283 CDI TYR A 127 44.219 73.302 3. .311 1. .00 27. .79 C

ATOM 285 CEl TYR A 127 45.531 73.074 2. .966 1. .00 29. .90 c

ATOM 287 CZ TYR A 127 46.013 71.796 2. .955 1. .00 31, .01 c

ATOM 288 OH TYR A 127 47.326 71.600 2. .625 1. .00 34. .13 0

ATOM 290 CE2 TYR A 127 45.196 70.740 3. .273 1. .00 27. .91 c

ATOM 292 CD2 TYR A 127 43.883 70.978 3. .615 1. .00 26. .77 c

ATOM 294 C TYR A 127 41.134 71.852 1. .711 1. .00 23. .12 c

ATOM 295 O TYR A 127 41.796 72.015 0. .689 1. .00 22. .60 0

ATOM 296 N TYR A 128 40.450 70.734 1. .955 1. .00 22. .91 N

ATOM 298 CA TYR A 128 40.426 69.636 1. .002 1. .00 22, .50 c

ATOM 300 CB TYR A 128 39.611 68.447 1. .564 1. .00 22, .40 c

ATOM 303 CG TYR A 128 39.446 67.282 0. .611 1. .00 23, .83 c

ATOM 304 CDI TYR A 128 40.394 66.270 0. .537 1. .00 23, .45 c

ATOM 306 CEl TYR A 128 40.226 65.195 -0. .335 1. .00 23, .84 c

ATOM 308 CZ TYR A 128 39.102 65.133 -1. .125 1. .00 24, .32 c

ATOM 309 OH TYR A 128 38.927 64.097 -2. .004 1. .00 24, .91 0

ATOM 311 CE2 TYR A 128 38.151 66.123 -1, .064 1. .00 24, .60 c

ATOM 313 CD2 TYR A 128 38.322 67.185 -0. .200 1. .00 24, .04 c

ATOM 315 C TYR A 128 39.837 70.122 -0. .321 1. .00 21, .97 c

ATOM 316 O TYR A 128 40.358 69.830 -1, .392 1. .00 20, .80 0

ATOM 317 N ALA A 129 38.746 70.871 -0, .247 1. .00 22, .03 N

ATOM 319 CA ALA A 129 38.091 71.335 -1, .468 1. .00 22, .50 c

ATOM 321 CB ALA A 129 36.842 72.156 -1, .148 1. .00 22, .37 c

ATOM 325 C ALA A 129 39.066 72.140 -2, ■ 32.0 1. .00 22, .35 c

ATOM 326 O ALA A 129 39.171 71.930 -3, .525 1. .00 22, .19 0

ATOM 327 N LEU A 130 39.805 73.036 -1, .676 1. .00 22, .48 N

ATOM 329 CA LEU A 130 40.749 73.888 -2, .385 1. .00 23, .03 c

ATOM 331 CB LEU A 130 41.304 74.941 -1, .422 1. .00 22, .93 c

ATOM 334 CG LEU A 130 42.392 75.858 -1, .991 1, .00 23, .84 c

ATOM 336 CDI LEU A 130 41.823 76.726 -3, .063 1, .00 23, .59 c

ATOM 340 CD2 LEU A 130 42.999 76.721 -0, .902 1, .00 23, .95 c

ATOM 344 C LEU A 130 41.923 73.132 -2 .993 1, .00 23 .22 c

ATOM 345 O LEU A 130 42.350 73.428 -4, .117 1, .00 23, .35 o

ATOM 346 N THR A 131 42.452 72.164 -2, .248 1, .00 23, .32 N

ATOM 348 CA THR A 131 43.719 71.554 -2, .607 1, .00 23, .73 C

ATOM 350 CB THR A 131 44.613 71.440 -1. .346 1. .00 24. .37 c

ATOM 352 OG1 THR A 131 43.967 70.650 -0. .327 1. .00 25. .72 o

ATOM 354 CG2 THR A 131 44.790 72.789 -0. .698 1. .00 24. .60 c

ATOM 358 C THR A 131 43.637 70.201 -3. .303 1. .00 23. .93 c ATOM 359 O THR A 131 44..648 69..715 -3..816 1..00 23..66 O

ATOM 360 N LYS A 132 42. .449 69. .603 -3. .330 1. .00 23. .33 N

ATOM 362 CA LYS A 132 42, .274 68. .263 -3, .916 1. .00 23, .12 C

ATOM 364 CB LYS A 132 42. .121 67. .244 -2, .776 1. .00 23, .42 C

ATOM 367 CG LYS A 132 43. .422 67. .064 -1. .958 1. .00 23. .65 c

ATOM 370 CD LYS A 132 44. .245 65. .896 -2, .450 1. .00 25, .56 c

ATOM 373 CE LYS A 132 45. .742 65. .974 -2, .170 1. .00 25, .88 c

ATOM 376 NZ LYS A 132 46, .233 67, .129 -1, .367 1. .00 28, .57 N

ATOM 380 C LYS A 132 41, .128 68. .114 -4, .938 1. .00 22. .28 C

ATOM 381 O LYS A 132 41. .134 67. .168 -5, .721 1. .00 22, .35 O

ATOM 382 N THR A 133 40, .170 69. .038 -4, .975 1. .00 21, .79 N

ATOM 384 CA THR A 133 39, .016 68, .871 -5, .872 1. .00 21, .92 C

ATOM 386 CB THR A 133 37, .691 69, .161 -5 .154 1. .00 22, .61 C

ATOM 388 OG1 THR A 133 37, .536 70. .570 -4, .951 1. .00 23. .01 O

ATOM 390 CG2 THR A 133 37, .680 68. .542 -3, .754 1. .00 22, .75 C

ATOM 394 C THR A 133 39, .045 69, .664 -7, .156 1. .00 21, .77 C

ATOM 395 O THR A 133 39, .574 70, .782 -7, .226 1, .00 20, .61 O

ATOM 396 N VAL A 134 38, .457 69. .072 -8. .182 1. .00 21. .16 N

ATOM 398 CA VAL A 134 38, .365 69. .718 -9, .472 1. .00 22. .32 C

ATOM 400 CB VAL A 134 37, .627 68. .827 -10, .493 1. .00 22. .17 C

ATOM 402 CGI VAL A 134 37, .419 69, .582 -11, .796 1. .00 22, .82 C

ATOM 406 CG2 VAL A 134 38, .411 67. .542 -10. .743 1. .00 22. .13 C

ATOM 410 C VAL A 134 37, .659 71. .073 -9. .340 1. .00 23. .02 C

ATOM 411 O VAL A 134 38, .084 72. .069 -9, .957 1. .00 22. .85 o

ATOM 412 N GLU A 135 36, .596 71, .121 -8, .539 1. .00 23, .27 N

ATOM 414 CA GLU A 135 35, .859 72. .370 -8. .339 1. .00 24. .32 C

ATOM 416 CB GLU A 135 34, .671 72. .205 -7. .381 1. .00 24. .89 C

ATOM 419 CG GLU A 135 33, .329 72. .349 -8, .109 1. .00 30. .53 C

ATOM 422 CD GLU A 135 32, .158 71, .653 -7, .411 1. .00 35. .73 C

ATOM 423 OEl GLU A 135 31 .983 71, .846 -6, .182 1, .00 41. .58 O

ATOM 424 OE2 GLU A 135 31, .393 70. .933 -8. .093 1. .00 38. .26 0

ATOM 425 C GLU A 135 36, .752 73. .510 -7, .864 1. .00 23. .38 c

ATOM 426 O GLU A 135 36, .589 74. .622 -8, .321 1. .00 22. .72 0

ATOM 427 N GLY A 136 37 .684 73, .230 -6, .958 1, .00 22, .89 N

ATOM 429 CA GLY A 136 38, .562 74. .257 -6. .413 1. .00 22. .84 C

ATOM 432 C GLY A 136 39, .776 74. .666 -7, .237 1. .00 22. .98 C

ATOM 433 O GLY A 136 40, .567 75, .524 -6, .801 1. .00 22. .12 O

ATOM 434 N GLU A 137 39 .946 74, .075 -8, .412 1. .00 23, .16 N

ATOM 436 CA GLU A 137 41, .138 74. .352 -9. .219 1. .00 23. .55 C

ATOM 438 CB GLU A 137 41, .121 73. .552 -10, .511 1. .00 22. .97 C

ATOM 441 CG GLU A 137 41, .374 72. .063 -10, .312 1. .00 23. .30 c

ATOM 444 CD GLU A 137 41 .289 71, .284 -11, .611 1, .00 23. .91 c

ATOM 445 OEl GLU A 137 41, .198 71. .918 -12. .698 1. .00 25. .33 0

ATOM 446 OE2 GLU A 137 41, .325 70. .038 -11. .555 1. .00 23. .54 0

ATOM 447 C GLU A 137 41, .340 75. .842 -9, .531 1. .00 23. .87 c

ATOM 448 O GLU A 137 42, .445 76, .359 -9, .399 1, .00 23, .86 0

ATOM 449 N GLN A 138 40 .284 76, .518 -9, .957 1, .00 24, .30 N

ATOM 451 CA GLN A 138 40, .392 77. .924 -10, .310 1. .00 25. .28 C

ATOM 453 CB GLN A 138 39, .054 78. .440 -10, .840 1. .00 25. .49 C

ATOM 456 CG GLN A 138 38, .790 78, .028 -12, .283 1. .00 26. .23 c

ATOM 459 CD GLN A 138 37, .874 78, .986 -13, .023 1. .00 28. .24 c

ATOM 460 OEl GLN A 138 36. .663 78. .772 -13. .061 1. .00 29. .53 o

ATOM 461 NΞ2 GLN A 138 38. .453 80. .029 -13. .638 1. .00 28. .03 N

ATOM 464 C GLN A 138 40, .835 78. .742 -9, .098 1. .00 25. .30 c

ATOM 465 O GLN A 138 41, .740 79, .585 -9, .188 1. .00 25. .04 O

ATOM 466 N ALA A 139 40. .199 78. .474 -7. .962 1. .00 24. .97 N

ATOM 468 CA ALA A 139 40. .482 79. .211 -6. .745 1. .00 25. .50 c ATOM 470 CB ALA A 139 39..557 78..776 -5.,645 1..00 25..65 C

ATOM 474 C ALA A 139 41. .924 78. .992 -6. .343 1. .00 25. .84 C

ATOM 475 O ALA A 139 42. .624 79. ,926 -5. .897 1. .00 25. .49 O

ATOM 476 N LEU A 140 42. .376 77. .755 -6. .505 1. .00 25. .98 N

ATOM 478 CA LEU A 140 43. .744 77. .424 -6. .173 1. .00 26, .92 C

ATOM 480 CB LEU A 140 43. .977 75. .923 -6. .284 1. .00 27. .43 C

ATOM 483 CG LEU A 140 45. .406 75. .498 -5. .957 1. .00 27. .43 C

ATOM 485 CDI LEU A 140 45. .757 75. .980 -4. .584 1. .00 30, .43 C

ATOM 489 CD2 LEU A 140 45. .570 73. .985 -6. .075 1. .00 29, .57 C

ATOM 493 C LEU A 140 44. .709 78. .178 -7. .098 1. .00 27. .23 C

ATOM 494 O LEU A 140 45. .730 78. .711 -6. .656 1. .00 27. .16 O

ATOM 495 N THR A 141 44, .367 78. .223 -8. .377 1. .00 26. .97 N

ATOM 497 CA THR A 141 45. .202 78. .880 -9. .365 1. .00 27. .46 C

ATOM 499 CB THR A 141 44. .617 78. .662 -10. .764 1. .00 27. .45 C

ATOM 501- .OG1 THR A 141 44, .721 77. .274 -11. .126 1. .00 27. .86 O

ATOM 503 CG2 THR A 141 45, .418 79. .388 -11. .834 1. .00 27. .92 c

ATOM 507 C THR A 141 45. .309 80. .374 -9. .035 1. .00 27. .67 c

ATOM 508 O THR A 141 46, .391 80. .949 -9. .082 1. .00 27. .03 0

ATOM 509 N TYR A 142 44, .170 80. .973 -8. .698 1. .00 28, .03 N

ATOM 511 CA TYR A 142 44, .090 82. .375 -8. .331 1. .00 28, .73 C

ATOM 513 CB TYR A 142 42, .654 82. .723 -7. .927 1. .00 29. .12 c

ATOM 516 CG TYR A 142 42, .540 84. .115 -7. .380 1. .00 28. .66 c

ATOM 517 CDI TYR A 142 42, .313 85, .196 -8, .227 1. .00 29, .55 c

ATOM 519 CEl TYR A 142 42, .229 86. .474 -7. .728 1. .00 29. .98 c

ATOM 521 CZ TYR A 142 42, .406 86. .680 -6. .379 1. .00 31. .29 c

ATOM 522 OH TYR A 142 42, .338 87, .945 -5. .868 1. .00 32. .25 0

ATOM 524 CE2 TYR A 142 42, .646 85, .627 -5. .525 1. .00 31, .24 c

ATOM 526 CD2 TYR A 142 42, .714 84. .358 -6. .030 1. .00 30. .68 c

ATOM 528 C TYR A 142 45, .052 82, .691 -7. .187 1. .00 28. .90 c

ATOM 529 O TYR A 142 45 .783 83, .687 -7, .233 1. .00 28. .60 0

ATOM 530 N LEU A 143 45, .045 81. .840 -6. .159 1. .00 29. .09 N

ATOM 532 CA LEU A 143 45, .946 81, .983 -5. .029 1. .00 29. .22 c

ATOM 534 CB LEU A 143 45 .612 80, .949 -3, .948 1. .00 29, .30 c

ATOM 537 CG LEU A 143 44 .331 81, .194 -3, .152 1. .00 28, .16 c

ATOM 539 CDI LEU A 143 44, .068 80, .028 -2. .219 1. .00 26. .98 c

ATOM 543 CD2 LEU A 143 44 .396 82, .515 -2. .360 1. .00 28, .42 c

ATOM 547 C LEU A 143 47 .417 81 .833 -5, .455 1. .00 30, .27 c

ATOM 548 O LEU A 143 48, .281 82, .650 -5. .084 1. .00 30. .23 0

ATOM 549 N GLN A 144 47, .701 80, .809 -6. .244 1. .00 30. .95 N

ATOM 551 CA GLN A 144 49 .062 80, .538 -6. .673 1. .00 32, .23 c

ATOM 553 CB GLN A 144 49 .146 79 .215 -7, .446 1. .00 32, .20 c

ATOM 556 CG GLN A 144 48 .933 77. .943 -6. .605 1. .00 32. .37 c

ATOM 559 CD GLN A 144 48 .901 76 .690 -7, .473 1. .00 32. .25 c

ATOM 560 OEl GLN A 144 48 .583 76 .781 -8, .655 1. .00 31, .33 o

ATOM 561 NE2 GLN A 144 49 .222 75. .526 -6. .892 1. .00 30. .47 N

ATOM 564 C GLN A 144 49 .608 81, .683 -7, .535 1. .00 33. .62 c

ATOM 565 O GLN A 144 50 .800 81 .963 -7, .486 1. .00 33, .75 o

ATOM 566 N GLU A 145 48 .746 82 .340 -8, .313 1, .00 35, .22 N

ATOM 568 CA GLU A 145 49 .185 83 .441 -9, .174 1. .00 37. .08 C

ATOM 570 CB GLU A 145 48 .172 83 .724 -10, .291 1. .00 37. .37 C

ATOM 573 CG GLU A 145 47 .898 82 .557 -11, .226 1, .00 39. .31 C

ATOM 576 CD GLU A 145 49 .139 82, .012 -11, .919 1. .00 42. .71 C

ATOM 577 OEl GLU A 145 50 .253 82, .550 -11, .716 1. .00 45. .81 0

ATOM 578 OE2 GLU A 145 48 .995 81 .032 -12, .681 1. .00 45. .07 o

ATOM 579 C GLU A 145 49 .415 84 .710 -8, .354 1. .00 38, .14 C

ATOM 580 O GLU A 145 50 .194 85, .576 -8, .739 1. .00 38. .26 o

ATOM 581 N ARG A 146 48 .714 84, .803 -7, .228 1. .00 39. .56 N ATOM 583 CA ARG A 146 48.828 85.913 -6,.294 1..00 40,.61 C

ATOM 585 CB ARG A 146 47.557 85.989 -5, .451 1. .00 41, .02 C

ATOM 588 CG ARG A 146 46.578 87.030 -5, .843 1. .00 42, .46 C

ATOM 591 CD ARG A 146 46.609 88.213 -4. .896 1. .00 45, .85 c

ATOM 594 NE ARG A 146 45.269 88.574 -4, .469 1. .00 47, .72 N

ATOM 596 CZ ARG A 146 44.998 89.360 -3, .454 1. .00 48, .11 C

ATOM 597 NH1 ARG A 146 45.974 89.906 -2, .739 1. .00 48, .08 N

ATOM 600 NH2 ARG A 146 43.734 89.612 -3 .160 1. .00 49, .47 N

ATOM 603 C ARG A 146 50.007 85.720 -5. .344 1. .00 41, .04 C

ATOM 604 O ARG A 146 50.206 86.522 -4, .431 1. .00 42, .30 O

ATOM 605 N GLY A 147 50.758 84.638 -5, .511 1. .00 40, .79 N

ATOM 607 CA GLY A 147 51.938 84.420 -4 .694 1. .00 40, .64 C

ATOM 610 C GLY A 147 51.823 83.409 -3. .580 1. .00 40. .71 C

ATOM 611 O GLY A 147 52.828 83.101 -2, .937 1. .00 41, .34 O

ATOM 612 N PHE A 148 50.623 82.883 -3, .333 1. .00 39, .90 N

ATOM 614 CA PHE A 148 50.446 81.911 -2 .264 1. .00 39, .18 C

ATOM 616 CB PHE A 148 48.959 81.688 -1, .950 1. .00 39. .03 C

ATOM 619 CG PHE A 148 48.321 82.800 -1, .179 1. .00 38. .34 C

ATOM 620 CDI PHE A 148 47.950 82.614 0 .134 1. .00 36, .01 C

ATOM 622 CEl PHE A 148 47.360 83.619 0, .842 1. .00 35. .69 C

ATOM 624 CZ PHE A 148 47.124 84.836 0, .254 1. .00 36. .81 C

ATOM 626 CE2 PHE A 148 47.479 85.044 -1. .055 1. .00 37. .08 C

ATOM 628 CD2 PHE A 148 48.071 84.027 -1 .772 1. .00 37, .85 C

ATOM 630 C PHE A 148 51.049 80.587 -2, .678 1. .00 39. .25 C

ATOM 631 O PHE A 148 50.606 79.981 -3, .654 1. .00 39. .29 O

ATOM 632 N THR A 149 52.047 80.117 -1, .938 1. .00 38. .76 N

ATOM 634 CA THR A 149 52.616 78.820 -2 .229 1. .00 38, .67 C

ATOM 636 CB THR A 149 54.032 78.717 -1. .709 1. .00 38. .77 C

ATOM 638 OGl THR A 149 54.023 78.953 -0, .297 1. .00 38. .60 O

ATOM 640 CG2 THR A 149 54.912 79.804 -2, .279 1. .00 39. .32 c

ATOM 644 C THR A 149 51.782 77.762 -1, .529 1. .00 38. .40 c

ATOM 645 O THR A 149 50.983 78.063 -0, .652 1. .00 37. .78 0

ATOM 646 N ASP A 150 51.997 76.513 -1, .894 1. .00 38. .59 N

ATOM 648 CA ASP A 150 51.247 75.426 -1, .289 1. .00 38. .63 C

ATOM 650 CB ASP A 150 51.544 74.125 -2, .027 1. .00 39. .04 C

ATOM 653 CG ASP A 150 51.055 74.163 -3, .477 1. .00 38. .96 C

ATOM 654 OD1 ASP A 150 50.387 75.151 -3 .857 1. .00 41. .40 O

ATOM 655 OD2 ASP A 150 51.282 73.271 -4, .309 1. .00 40. .50 O

ATOM 656 C ASP A 150 51.555 75.346 0, .210 1. .00 38. .47 C

ATOM 657 O ASP A 150 50.697 74.951 1, .001 1. .00 38. .16 0

ATOM 658 N ALA A 151 52.762 75.765 0 .601 1. .00 38. .09 N

ATOM 660 CA ALA A 151 53.155 75.770 2, .017 1. .00 37. .65 C

ATOM 662 CB ALA A 151 54.649 76.067 2, .162 1. .00 38. .24 C

ATOM 666 C ALA A 151 52.347 76.797 2, .803 1. .00 36. .88 C

ATOM 667 O ALA A 151 51.854 76.505 3, .891 1. .00 36. .55 O

ATOM 668 N LEU A 152 52.224 78.003 2, .260 1. .00 35. .92 N

ATOM 670 CA LEU A 152 51.473 79.045 2, .937 1. .00 35. .37 C

ATOM 672 CB LEU A 152 51.597 80.399 2, .224 1. .00 35. .53 C

ATOM 675 CG LEU A 152 50.823 81.529 2, .930 1. .00 36. .54 c

ATOM 677 CDI LEU A 152 51.330 81.768 4, .358 1. .00 38. .03 c

ATOM 681 CD2 LEU A 152 50.879 82.835 2, .151 1. .00 37. .69 c

ATOM 685 C LEU A 152 50.012 78.650 3. .029 1. .00 34. .50 c

ATOM 686 O LEU A 152 49.348 78.908 4, .034 1. .00 33. .74 0

ATOM 687 N ILE A 153 49.501 78.052 1. .960 1. .00 34. .13 N

ATOM 689 CA ILE A 153 48.109 77.621 1, .940 1. .00 34. .13 c

ATOM 691 CB ILE A 153 47.757 77.027 0. .572 1. .00 33. .75 c

ATOM 693 CGI ILE A 153 47.534 78.156 -0. .422 1. .00 33. .83 c ATOM 696 CDI ILE A 153 47.603 77.713 -1.,878 1.00 33.,67 C

ATOM 700 CG2 ILE A 153 46. 514 76. 178 0. ,664 1. 00 34. .47 C

ATOM 704 C ILE A 153 47. ,872 76. ,634 3. .074 1. ,00 34. .21 C

ATOM 705 O ILE A 153 46. 886 76. 734 3. .806 1. 00 34. .04 O

ATOM 706 N LYS A 154 48. ,791 75. ,691 3. .233 1. ,00 34. .57 N

ATOM 708 CA LYS A 154 48. ,672 74. .711 4. .295 1. .00 35. .53 C

ATOM 710 CB LYS A 154 49. ,665 73. .568 4. .085 1. .00 35. .81 c

ATOM 713 CG LYS A 154 49. ,465 72. .436 5. .064 1. ,00 37. .95 c

ATOM 716 CD LYS A 154 50. .508 71. .349 4. .870 1. .00 40. .79 c

ATOM 719 CE LYS A 154 50. ,221 70. ,150 5. .729 1. ,00 41. .12 c

ATOM 722 NZ LYS A 154 51. .048 68. .990 5. .302 1. ,00 42. .84 N

ATOM 726 C LYS A 154 48. .900 75. .377 5. .661 1. .00 35. .25 C

ATOM 727 O LYS A 154 48. .167 75. ,146 6. .613 1. .00 34. .91 O

ATOM 728 N GLU A 155 49. .902 76. .240 5. .742 1. .00 35. .69 N

ATOM 730 CA GLU A 155 50. .208 76. .898 7. .003 1. .00 35. .65 C

ATOM 732 CB GLU A 155 51. .410 77. .815 6. .842 1. .00 36. .45 C

ATOM 735 CG GLU A 155 51. .757 78. .530 8. .130 1. .00 39. .34 C

ATOM 738 CD GLU A 155 52. .995 79. .383 7. .996 1. .00 44. .03 C

ATOM 739 OEl GLU A 155 54. .065 78. .823 7. .666 1. .00 46. .81 O

ATOM 740 OE2 GLU A 155 52. .891 80. .606 8. .214 1. .00 47. .11 O

ATOM 741 C GLU A 155 49. .023 77. .693 7. .540 1. .00 34. .82 c

ATOM 742 O GLU A 155 48. .690 77. .596 8. .721 1. ,00 34. .44 0

ATOM 743 N ARG A 156 48. .389 78. .488 6. .686 1. .00 33. .84 N

ATOM 745 CA ARG A 156 47. .245 79. .278 7. .124 1. .00 33. .88 c

ATOM 747 CB ARG A 156 47. .173 80. .607 6. .370 1. .00 34. .44 c

ATOM 750 CG ARG A 156 48. .433 81. .439 6. .610 1. .00 36. .43 c

ATOM 753 CD ARG A 156 48. .226 82. .910 6. .846 1. .00 39, .80 c

ATOM 756 NE ARG A 156 47. .539 83. .250 8. .088 1. .00 41. .88 N

ATOM 758 CZ ARG A 156 48. .044 84, .005 9. .062 1. .00 42. .47 c

ATOM 759 NH1 ARG A 156 49, .285 84, .461 8, .999 1. .00 44, .06 N

ATOM 762 NH2 ARG A 156 47. .308 84, .274 10. .134 1. .00 42. .82 N

ATOM 765 C ARG A 156 45, .939 78, .502 6. .986 1. .00 32. .74 c

ATOM 766 O ARG A 156 44, .888 78, .965 7, .412 1. .00 32, .52 O

ATOM 767 N GLY A 157 46. .019 77, .321 6. .386 1. .00 31. .63 N

ATOM 769 CA GLY A 157 44, .861 76, .453 6, .247 1. .00 30, .61 C

ATOM 772 C GLY A 157 43, .756 77, .098 5, .445 1. .00 29, .17 C

ATOM 773 O GLY A 157 42, .574 77, .010 5, .795 1. .00 28. .79 O

ATOM 774 N ILE A 158 44, .153 77, .741 4, .357 1. .00 27, .76 N

ATOM 776 CA ILE A 158 43 .221 78, .392 3, .473 1. .00 27, .10 C

ATOM 778 CB ILE A 158 43, .964 79, .354 2. .544 1. .00 27, .02 C

ATOM 780 CGI ILE A 158 44, .625 80, .465 3. .378 1. .00 28, .44 C

ATOM 783 CDI ILE A 158 45 .534 81 .380 2, .579 1, .00 30 .07 C

ATOM 787 CG2 ILE A 158 43, .008 79, .954 1. .543 1. .00 26, .66 C

ATOM 791 C ILE A 158 42 .460 77 .309 2, .691 1. .00 26, .54 C

ATOM 792 O ILE A 158 43 .003 76 .254 2, .392 1, .00 26 .13 o

ATOM 793 N GLY A 159 41, .202 77, .571 2, .394 1. .00 25, .91 N

ATOM 795 CA GLY A 159 40 .364 76 .590 1, .740 1, .00 26, .51 C

ATOM 798 C GLY A 159 39 .438 77 .216 0 .724 1, .00 26 .29 C

ATOM 799 O GLY A 159 39 .621 78, .371 0, .322 1. .00 26, .13 0

ATOM 800 N PHE A 160 38 .425 76 .451 0, .330 1, .00 26 .09 N

ATOM 802 CA PHE A 160 37 .478 76 .882 -0, .678 1, .00 26 .23 C

ATOM 804 CB PHE A 160 37 .913 76, .325 -2, .036 1, .00 26, .26 C

ATOM 807 CG PHE A 160 36 .880 76 .463 -3, .123 1, .00 26 .47 C

ATOM 808 CDI PHE A 160 36 .560 77 .704 -3 .641 1, .00 27 .35 C

ATOM 810 CEl PHE A 160 35 .629 77, .831 -4, .642 1. .00 27. .85 C

ATOM 812 CZ PHE A 160 35 .005 76 .704 -5, .153 1. .00 28. .42 C

ATOM 814 CE2 PHE A 160 35 .327 75 .453 -4, .647 1, .00 26 .51 C ATOM 816 CD2 PHE A 160 36.262 75.340 -3..657 1..00 26..60 C

ATOM 818 C PHE A 160 36.095 76.366 -0. .330 1. .00 26. .93 C

ATOM 819 O PHE A 160 35.934 75.181 -0. .049 1. .00 26. .34 O

ATOM 820 N ALA A 161 35.116 77.266 -0. .337 1. ,00 27. .32 N

ATOM 822 CA ALA A 161 33.726 76.925 -0. .110 1. .00 28, .06 C

ATOM 824 CB ALA A 161 33.031 78.018 0, .654 1. .00 27, .98 C

ATOM 828 C ALA A 161 33.062 76.724 -1. .480 1. .00 28. .78 C

ATOM 829 O ALA A 161 32.875 77.682 -2. .247 1. .00 28, .36 O

ATOM 830 N PRO A 162 32.725 75.481 -1. .789 1. .00 29, .75 N

ATOM 831 CA PRO A 162 32.122 75.141 -3, .084 1. .00 30, .78 C

ATOM 833 CB PRO A 162 32.058 73.605 -3, .066 1. .00 30 .89 C

ATOM 836 CG PRO A 162 32.728 73.160 -1. .862 1. .00 30, .48 C

ATOM 839 CD PRO A 162 32.878 74.308 -0. .922 1. .00 29, .16 C

ATOM 842 C PRO A 162 30.715 75.665 -3, .210 ' 1. .00 31, .91 C

ATOM 843 O PRO A 162 30.080 75.951 -2, .201 1. .00 32 .46 O

ATOM 844 N ASP A 163 30.240 75.799 -4. .442 1. .00 33, .25 N

ATOM 846 CA ASP A 163 28.859 76.164 -4. .685 1. .00 34, .06 C

ATOM 848 CB ASP A 163 28.752 77.201 -5. .798 1. .00 34, .81 C

ATOM 851 CG ASP A 163 27.406 77.900 -5, .812 1. .00 36, .27 C

ATOM 852 OD1 ASP A 163 26.610 77.690 -4, .871 1. .00 38, .70 O

ATOM 853 OD2 ASP A 163 27.053 78.675 -6. .723 1. .00 39, .64 O

ATOM 854 C ASP A 163 28.192 74.869 -5, .103 1. .00 34, .28 C

ATOM 855 O ASP A 163 28.108 74.560 -6, .288 1. .00 34, .13 0

ATOM 856 N SER A 164 27.755 74.089 -4, .125 1. .00 34, .56 N

ATOM 858 CA SER A 164 27.190 72.782 -4, .404 1. .00 34, .82 C

ATOM 860 CB SER A 164 28.253 71.703 -4. .201 1. .00 34, .90 C

ATOM 863 OG SER A 164 27.972 70.919 -3, .057 1. .00 35, .39 O

ATOM 865 C SER A 164 25.986 72.494 -3, .517 1. .00 34, .75 c

ATOM 866 O SER A 164 25.879 73.009 -2, .405 1. .00 34, .03 0

ATOM 867 N SER A 165 25.099 71.643 -4, .017 1. .00 34, .83 N

ATOM 869 CA SER A 165 23.878 71.288 -3, .307 1. .00 35, .33 C

ATOM 871 CB SER A 165 22.856 70.694 -4, .285 1. .00 35, .25 C

ATOM 874 OG SER A 165 23.376 69.550 -4, .940 1. .00 35, .63 O

ATOM 876 C SER A 165 24.121 70.304 -2, .168 1. .00 35, .46 C

ATOM 877 O SER A 165 23.352 70.268 -1, .209 1. .00 36, .10 O

ATOM 878 N HIS A 166 25.183 69.512 -2, .260 1. .00 35, .39 N

ATOM 880 CA HIS A 166 25.426 68.465 -1, .258 1. .00 35, .61 C

ATOM 882 CB HIS A 166 25.620 67.108 -1, .946 1. .00 36, .21 C

ATOM 885 CG HIS A 166 26.704 67.098 -2 .978 1. .00 39 .94 C

ATOM 886 ND1 HIS A 166 26.576 67.730 -4, .198 1. .00 44, .53 N

ATOM 888 CEl HIS A 166 27.683 67.556 -4, .900 1. .00 45, .47 C

ATOM 890 NE2 HIS A 166 28.524 66.833 -4, .181 1. .00 45, .18 N

ATOM 892 CD2 HIS A 166 27.935 66.531 -2, .976 1. .00 43, .43 C

ATOM 894 C HIS A 166 26.595 68.705 -0, .292 1. .00 34, .08 C

ATOM 895 O HIS A 166 26.693 68.024 0, .726 1. .00 33, .82 O

ATOM 896 N PHE A 167 27.478 69.648 -0, .599 1. .00 32, .72 N

ATOM 898 CA PHE A 167 28.646 69.857 0, .257 1. .00 31, .61 C

ATOM 900 CB PHE A 167 29.391 71.134 -0 .088 1. .00 31, .50 C

ATOM 903 CG PHE A 167 30.487 71.475 0, .897 1. .00 29, .65 C

ATOM 904 CDI PHE A 167 31.729 70.869 0, .813 1. .00 29, .07 c

ATOM 906 CEl PHE A 167 32.755 71.200 1, .712 1. .00 29, .17 c

ATOM 908 CZ PHE A 167 32.528 72.111 2, .724 1. .00 27, .35 c

ATOM 910 CE2 PHE A 167 31.292 72.719 2 .830 1. .00 27, .43 c

ATOM 912 CD2 PHE A 167 30.265 72.387 1, .916 1. .00 29. .38 c

ATOM 914 C PHE A 167 28.281 69.902 1, .729 1. .00 31. .08 c

ATOM 915 O PHE A 167 28.808 69.134 2, .520 1. .00 30, .36 O

ATOM 916 N CYS A 168 27.378 70.806 2, .091 1. .00 30, .79 N ATOM 918 CA CYS A 168 27.,061 71..029 3..500 1..00 30..95 C

ATOM 920 CB CYS A 168 26. ,246 72. .307 3. .664 1. .00 31. .11 C

ATOM 923 SG CYS A 168 25. .933 72. .740 5. .385 1. ,00 32. .20 S

ATOM 924 C CYS A 168 26. .326 69. .832 4. .091 1. ,00 30. .72 C

ATOM 925 O CYS A 168 26. .657 69. .340 5. .174 1. .00 30, .38 0

ATOM 926 N HIS A 169 25. .328 69. .350 3. .368 1. .00 30, .36 N

ATOM 928 CA HIS A 169 24. .604 68. .183 3. .818 1. ,00 29. .91 C

ATOM 930 CB HIS A 169 23. .605 67. .736 2. .761 1. .00 30, .32 . C

ATOM 933 CG HIS A 169 22. .854 66. .510 3. .156 1. .00 31, .03 c

ATOM 934 ND1 HIS A 169 23. .337 65. .240 2. .931 1. .00 33. .99 N

ATOM 936 CEl HIS A 169 22. .468 64. .354 3. .387 1. .00 33, .52 C

ATOM 938 NE2 HIS A 169 21. .448 65. .005 3. .918 1. .00 33, .19 N

ATOM 940 CD2 HIS A 169 21. .671 66. .357 3. .797 1. ,00 33, .21 C

ATOM 942 C HIS A 169 25. .572 67. .039 4. .154 1. .00 29, .18 C

ATOM 943 O HIS A 169 25. .449 66, .406 5. .203 1. .00 28, .93 0

ATOM 944 N ASP A 170 26. .537 66. .799 3. .267 1. .00 28. .42 N

ATOM 946 CA ASP A 170 27. .534 65, .736 3. .429 1. .00 28, .37 C

ATOM 948 CB ASP A 170 28. .482 65, .730 2. .220 1. .00 28, .69 C

ATOM 951 CG ASP A 170 29. .676 64. .789 2. .402 1. .00 30, .85 c

ATOM 952 OD1 ASP A 170 29. .414 63, .592 2. .674 1. .00 34, .11 0

ATOM 953 OD2 ASP A 170 30. .896 65, .143 2. .277 1. .00 29, .06 0

ATOM 954 C ASP A 170 28. .354 65, .928 4. .703 1. .00 27, .72 c

ATOM 955 O ASP A 170 28. .661 64, .968 5. .419 1. .00 27, .27 0

ATOM 956 N PHE A 171 28. .722 67, .177 4, .961 1. .00 26, .86 N

ATOM 958 CA PHE A 171 29. .509 67. .523 6. .139 1. .00 26, .42 C

ATOM 960 CB PHE A 171 29. .923 68, .991 6. .077 1. .00 26, .05 C

ATOM 963 CG PHE A 171 30, .566 69, .482 7, .326 1. .00 25, .59 c

ATOM 964 CDI PHE A 171 31. .859 69, .117 7. .644 1. .00 23. .42 c

ATOM 966 CEl PHE A 171 32. .450 69, .578 8. .797 1. .00 23, .19 c

ATOM 968 CZ PHE A 171 31. .742 70, .386 9, .658 1. .00 23, .44 c

ATOM 970 CE2 PHE A 171 30. .455 70, .757 9. .356 1. .00 24, .73 c

ATOM 972 CD2 PHE A 171 29. .869 70, .308 8, .196 1. .00 25, .72 c

ATOM 974 C PHE A 171 28, .706 67 .229 7, .398 1. .00 26, .39 c

ATOM 975 O PHE A 171 29. .139 66, .457 8, .253 1. .00 25. .72 0

ATOM 976 N LEU A 172 27, .521 67, .822 7, .488 1. .00 27, .00 N

ATOM 978 CA LEU A 172 26, .626 67, .624 8, .627 1. .00 27, .96 c

ATOM 980 CB LEU A 172 25, .301 68, .353 8. .390 1. .00 28, .52 c

ATOM 983 CG LEU A 172 25, .386 69, .877 8, .288 1. .00 29, .48 c

ATOM 985 GDI LEU A 172 24, .033 70 .471 7, .928 1. .00 30 .62 c

ATOM 989 CD2 LEU A 172 25, .920 70, .503 9, .576 1. .00 31, .53 c

ATOM 993 C LEU A 172 26, .337 66, .149 8, .909 1. .00 28, .40 c

ATOM 994 O LEU A 172 26, .315 65, .729 10, .064 1. .00 28 .43 o

ATOM 995 N GLN A 173 26, .120 65, .362 7, .863 1. .00 28, .74 N

ATOM 997 CA GLN A 173 25, .836 63 .935 8, .052 1, .00 29, .50 C

ATOM 999 CB GLN A 173 25 .381 63 .272 6, .749 1, .00 30 .24 C

ATOM 1002 CG GLN A 173 23, .910 62, .852 6, .755 1. .00 34, .28 C

ATOM 1005 CD GLN A 173 23, .676 61, .502 6, .118 1. .00 38 .14 c

ATOM 1006 OEl GLN A 173 24 .497 61 .029 5 .329 1, .00 42 .88 0

ATOM 1007 NE2 GLN A 173 22, .555 60, .868 6, .461 1. .00 40, .86 N

ATOM 1010 C GLN A 173 27, .045 63, .188 8, .622 1, .00 28, .78 C

ATOM 1011 O GLN A 173 26, .905 62 .425 9 .563 1, .00 27 .52 0

ATOM 1012 N LYS A 174 28, .232 63, .435 8, .062 1. .00 28, .58 N

ATOM 1014 CA LYS A 174 29, .447 62, .759 8, .514 1. .00 28, .50 C

ATOM 1016 CB LYS A 174 30 .646 63 .129 7 .632 1, .00 28, .49 C

ATOM 1019 CG LYS A 174 30, .717 62, .381 6, .302 1. .00 29, .60 c

ATOM 1022 CD LYS A 174 31, .844 62, .922 5, .415 1. .00 29, .51 c

ATOM 1025 CE LYS A 174 31, .883 62, .206 4, .060 1, .00 29 .42 c ATOM 1028 NZ LYS A 174 32.,888 62..785 3.,123 1.00 27..96 N

ATOM 1032 C LYS A 174 29. ,774 63. .075 9. 977 1. 00 28. .41 C

ATOM 1033 O LYS A 174 30. ,284 62. .213 10. ,689 1. 00 28. .42 O

ATOM 1034 N LYS A 175 29. .460 64. .294 10. .416 1. ,00 28. .29 N

ATOM 1036 CA LYS A 175 29. .778 64. .747 11. .770 1. 00 28. .45 C

ATOM 1038 CB LYS A 175 30. .171 66. .232 11. ,774 1. 00 27. .73 C

ATOM 1041 CG LYS A 175 31. .291 66. .626 10. .804 1. ,00 27. .38 c

ATOM 1044 CD LYS A 175 32. .572 65. .826 10. .997 1. 00 24. .61 c

ATOM 1047 CE LYS A 175 33. .668 66. .332 10. .068 1. ,00 23. .64 c

ATOM 1050 NZ LYS A 175 34. .963 65. .596 10. .239 1. ,00 21. .58 N

ATOM 1054 C LYS A 175 28. .628 64. .559 12. .755 1. .00 29, .07 C

ATOM 1055 O LYS A 175 28. .846 64. .559 13. .960 1. .00 28. .82 O

ATOM 1056 N GLY A 176 27. .409 64. .398 12. .247 1. ,00 30. .06 N

ATOM 1058 CA GLY A 176 26. .247 64. .262 13. .107 1. .00 30, .66 C

ATOM 1061 C GLY A 176 25. .885 65. .607 13. .717 1. .00 31. .64 C

ATOM 1062 O GLY A 176 25. .454 65. .672 14. .860 1. .00 31. .92 O

ATOM 1063 N TYR A 177 26. .098 66. .689 12. .971 1. .00 32, .41 N

ATOM 1065 CA TYR A 177 25. .754 68. .025 13. .458 1. .00 33. .30 C

ATOM 1067 CB TYR A 177 26. .707 69. .088 12. .911 1. .00 32. .58 C

ATOM 1070 CG TYR A 177 28. .021 69. .246 13. .658 1. .00 30, .83 c

ATOM 1071 CDI TYR A 177 28. .067 69. .299 15. .051 1. ,00 29. .93 c

ATOM 1073 CEl TYR A 177 29. .278 69. .468 15. .724 1. .00 29. .07 c

ATOM 1075 CZ TYR A 177 30. .446 69. .593 14. .988 1. .00 28, .20 c

ATOM 1076 OH TYR A 177 31, .659 69. .755 15. .603 1. .00 27, .07 0

ATOM 1078 CE2 TYR A 177 30. .412 69. .536 13. .613 1. .00 27. .80 c

ATOM 1080 CD2 TYR A 177 29, .211 69. .379 12. .961 1. .00 28, .28 c

ATOM 1082 C TYR A 177 24, .344 68. .369 13. .011 1. .00 34, .97 c

ATOM 1083 O TYR A 177 23, .943 68. .041 11. .897 1. .00 34, .80 0

ATOM 1084 N ASP A 178 23, .603 69, .042 13. .877 1. .00 37, .03 N

ATOM 1086 CA ASP A 178 22, .252 69, .456 13. .557 1. .00 38, .93 C

ATOM 1088 CB ASP A 178 21, .465 69. .695 14. .854 1. .00 39, .27 c

ATOM 1091 CG ASP A 178 20, .057 70, .179 14. .606 1. .00 41, .34 c

ATOM 1092 OD1 ASP A 178 19, .896 71, .244 13, .975 1. .00 44, .79 0

ATOM 1093 OD2 ASP A 178 19, .046 69, .569 15. .012 1. .00 45, .09 0

ATOM 1094 C ASP A 178 22, .314 70, .715 12. .681 1. .00 39, .68 c

ATOM 1095 O ASP A 178 23 .163 71, .587 12, .887 1. .00 39, .87 o

ATOM 1096 N ILE A 179 21 .434 70, .786 11, .687 1. .00 40 .92 N

ATOM 1098 CA ILE A 179 21, .320 71, .948 10, .806 1. .00 42, .02 c

ATOM 1100 CB ILE A 179 20 .077 71, .792 9, .903 1. .00 42 .32 c

ATOM 1102 CGI ILE A 179 20 .322 70 .746 8, .815 1. .00 43 .18 c

ATOM 1105 CDI ILE A 179 19 .052 70, .056 8. .350 1. .00 43, .40 c

ATOM 1109 CG2 ILE A 179 19 .705 73 .117 9, .263 1. .00 42 .55 c

ATOM 1113 C ILE A 179 21 .208 73 .261 11, .588 1. .00 42 .68 c

ATOM 1114 O ILE A 179 21 .788 74, .273 11, .198 1. .00 42 .34 o

ATOM 1115 N GLU A 180 20 .458 73 .241 12, .687 1. .00 43 .62 N

ATOM 1117 CA GLU A 180 20 .239 74 .446 13, .493 1. .00 44 .60 c

ATOM 1119 CB GLU A 180 19 .225 74, .175 14, .611 1. .00 45 .08 C

ATOM 1122 CG GLU A 180 17 .783 74 .029 14, .139 1. .00 47 .40 C

ATOM 1125 CD GLU A 180 16 .779 74 .107 15, .288 1. .00 50 .87 C

ATOM 1126 OEl GLU A 180 17 .209 74 .001 16 .462 1, .00 53 .16 o

ATOM 1127 OE2 GLU A 180 15 .563 74 .281 15, .024 1. .00 52 .10 0

ATOM 1128 C GLU A 180 21 .533 75 .006 14, .097 1. .00 44 .53 c

ATOM 1129 0 GLU A 180 21 .709 76 .226 14 .194 1, .00 44 .32 o

ATOM 1130 N LEU A 181 22 .433 74 .122 14, .511 1. .00 44 .47 N

ATOM 1132 CA LEU A 181 23 .689 74 .564 15, .099 1. .00 44 .63 c

ATOM 1134 CB LEU A 181 24 .484 73 .384 15, .665 1, .00 44 .92 c

ATOM 1137 CG LEU A 181 25 .812 73 .728 16, .347 1. .00 45, .56 C ATOM 1139 CDI LEU A 181 25.634 74..742 17.,470 1.,00 46..24 C

ATOM 1143 CD2 LEU A 181 26. ,460 72. ,465 16. .881 1. ,00 46. .55 C

ATOM 1147 C LEU A 181 24. 504 75. 296 14. .044 1. 00 44. .32 C

ATOM 1148 O LEU A 181 25. 096 76. 329 14. .317 1. ,00 44. .08 O

ATOM 1149 N ALA A 182 24. ,518 74. ,756 12. .831 1. ,00 44. .26 N

ATOM 1151 CA ALA A 182 25. ,250 75. ,373 11. ,735 1. .00 44. .50 C

ATOM 1153 CB ALA A 182 25. ,207 74. .493 10. .504 1. .00 44. .51 C

ATOM 1157 C ALA A 182 24. .684 76. .758 11. .423 1. .00' 44. .64 c

ATOM 1158 O ALA A 182 25. .416 77. .647 11. .000 1. .00 44. .50 0

ATOM 1159 N TYR A 183 23. .385 76. .938 11. .636 1. .00 44. .85 N

ATOM 1161 CA TYR A 183 22. .757 78. .226 11. .385 1. .00 45. .19 C

ATOM 1163 CB TYR A 183 21. ,236 78. .109 11. .389 1. .00 45. .58 C

ATOM 1166 CG TYR A 183 20. .581 79. .464 11. .346 1. .00 47. .13 C

ATOM 1167 CDI TYR A 183 20. .657 80. .250 10. .206 1. .00 48. .54 c

ATOM 1169 CEl TYR A 183 20. .075 81. .498 10. .161 1. .00 49. .72 c

ATOM 1171 CZ TYR A 183 19. .415 81. .980 11. .273 1. .00 50. .49 c

ATOM 1172 OH TYR A 183 18. .833 83. .227 11. .236 1. .00 51. .70 o

ATOM 1174 CE2 TYR A 183 19. .337 81. .222 .12. .422 1. .00 49. .84 c

ATOM 1176 CD2 TYR A 183 19. .922 79. .974 12. .455 1. .00 48, .70 c

ATOM 1178 C TYR A 183 23. .189 79. .227 12. .450 1. .00 44. .87 c

ATOM 1179 O TYR A 183 23. .625 80. .341 12. .141 1. .00 44. .70 0

ATOM 1180 N GLU A 184 23. .082 78. .818 13. .708 1. .00 44. .55 N

ATOM 1182 CA GLU A 184 23. .464 79. .675 14. .821 1. .00 44. .50 C

ATOM 1184 CB GLU A 184 23. .060 79. .049 16. .160 1. .00 44. .72 C

ATOM 1187 CG GLU A 184 21. .595 78. .643 16. .265 1. .00 45, .96 c

ATOM 1190 CD GLU A 184 20. .645 79. .824 16. .411 1. .00 47, .11 c

ATOM 1191 OEl GLU A 184 21, .119 80, .966 16. .590 1. .00 46, .90 0

ATOM 1192 OE2 GLU A 184 19, .414 79, .600 16, .342 1, .00 48, .95 0

ATOM 1193 C GLU A 184 24. .971 79, .940 14. .808 1. .00 43. .87 c

ATOM 1194 O GLU A 184 25, .440 80, .902 15, .411 1. .00 43. .86 0

ATOM 1195 N ALA A 185 25, .725 79. .090 14. .114 1. .00 43, .04 N

ATOM 1197 CA ALA A 185 27, .178 79, .238 14. .022 1. .00 42. .27 C

ATOM 1199 CB ALA A 185 27, .814 77, .889 13, .749 1. .00 42, .36 c

ATOM 1203 C ALA A 185 27, .580 80. .228 12, .932 1, .00 41, .63 c

ATOM 1204 O ALA A 185 28 .749 80 .614 12, .830 1, .00 41, .05 0

ATOM 1205 N GLY A 186 26 .610 80 .632 12, .114 1, .00 41, .06 N

ATOM 1207 CA GLY A 186 26, .859 81. .557 11, .021 1. .00 40. .70 c

ATOM , 1210 C GLY A 186 27, .435 80, .900 9, .775 1, .00 40, .43 c

ATOM 1211 0 GLY A 186 28 .024 81, .571 8, .940 1, .00 40, .90 0

ATOM 1212 N LEU A 187 27 .272 79 .588 9, .644 1, .00 40, .21 N

ATOM 1214 CA LEU A 187 27 .756 78 .872 8, .465 1, .00 39, .92 C

ATOM 1216 CB LEU A 187 28 .359 77 .519 8, .852 1, .00 39, .77 C

ATOM 1219 CG LEU A 187 29 .729 77 .668 9 .536 1, .00 39 .24 C

ATOM 1221 CDI LEU A 187 30 .161 76 .392 10 .226 1, .00 38 .39 C

ATOM 1225 CD2 LEU A 187 30 .796 78 .122 8 .543 1 .00 39 .32 C

ATOM 1229 C LEU A 187 26 .631 78 .708 7, .442 1, .00 39, .94 C

ATOM 1230 O LEU A 187 26 .885 78 .555 6 .247 1, .00 39, .37 O

ATOM 1231 N LEU A 188 25 .391 78 .732 7 .922 1, .00 40, .32 N

ATOM 1233 CA LEU A 188 24 .223 78 .695 7 .048 1, .00 40, .96 C

ATOM 1235 CB LEU A 188 23 .317 77 .499 7 .355 1, .00 41 .05 C

ATOM 1238 CG LEU A 188 23 .909 76 .091 7 .311 1 .00 41, .41 c

ATOM 1240 CDI LEU A 188 22 .868 75 .058 7 .730 1 .00 41 .67 c

ATOM 1244 CD2 LEU A 188 24 .440 75 .775 5 .935 1 .00 41 .49 c

ATOM 1248 C LEU A 188 23 .430 79 .968 7 .278 1, .00 41, .28 c

ATOM 1249 O LEU A 188 23 .461 80 .530 8 .371 1, .00 41, .22 0

ATOM 1250 N SER A 189 22 .730 80 .420 6 .246 1, .00 41, .83 N

ATOM 1252 CA SER A 189 21 .860 81 .584 6 .358 1, .00 42, .35 c ATOM 1254 CB SER A 189 22.445 82.783 5.,602 1..00 42..64 C

ATOM 1257 OG SER A 189 22. .775 82. ,444 4. ,264 1. .00 43. ,77 0

ATOM 1259 C SER A 189 20. .475 81. ,228 5. ,829 1. .00 42. .43 C

ATOM 1260 O SER A 189 20. .094 80. .051 5. ,809 1. .00 42. .54 0

ATOM 1261 N TYR A 197 17. .331 76. .762 4. .611 1. .00 44. .95 N

ATOM 1263 CA TYR A 197 18. 708 77. .148 4. .886 1. ,00 45. .47 C

ATOM 1265 CB TYR A 197 19. .273 76. .338 6. .054 1. ,00 45. .75 C

ATOM 1268 CG TYR A 197 18. .549 76. ,539 7. .367 1. ,00 47. .62 C

ATOM 1269 CDI TYR A 197 18. ,691 77. .716 8. ,091 1. .00 49. .50 C

ATOM 1271 CEl TYR A 197 18. .036 77. .898 9. .294 1. .00 50. .16 C

ATOM 1273 CZ TYR A 197 17. .227 76. .898 9. .785 1. .00 50. .79 C

ATOM 1274 OH TYR A 197 16. .572 77. .077 10. .980 1. .00 51. .81 0

ATOM 1276 CE2 TYR A 197 17. .070 75. .718 9. .089 1. .00 50. .55 C

ATOM 1278 CD2 TYR A 197 17. .730 75. .545 7. .888 1. .00 50. .00 C

ATOM 1280 C TYR A 197 19. .588 76. .937 3. .661 1. .00 44. .72 C

ATOM 1281 O TYR A 197 19. .295 76. .096 2. .813 1. .00 44. .60 0

ATOM 1282 N TYR A 198 20. .667 77. .707 3. .580 1. .00 43. .91 N

ATOM 1284 CA TYR A 198 21. .626 77. .577 2. .493 1. .00 43. .40 C

ATOM 1286 CB TYR A 198 21. .149 78. .323 1. .251 1. .00 43. .73 C

ATOM 1289 CG TYR A 198 21. .019 79. .817 1. .431 1. .00 45. .44 C

ATOM 1290 CDI TYR A 198 22. .068 80. .665 1. .106 1. .00 47. .14 C

ATOM 1292 CEl TYR A 198 21. .959 82. .031 1. .265 1. .00 48. .47 C

ATOM 1294 CZ TYR A 198 20. .786 82. .573 1. .752 1. .00 48. .76 C

ATOM 1295 OH TYR A 198 20. .688 83. .939 1. .910 1. .00 49. .78 0

ATOM 1297 CE2 TYR A 198 19. .726 81, .753 2. .082 1. .00 47. .81 c

ATOM 1299 CD2 TYR A 198 19. .847 80, .381 1, .920 1. .00 47. .09 c

ATOM 1301 C TYR A 198 22. .994 78, .097 2, .921 1. .00 42. .23 c

ATOM 1302 O TYR A 198 23. .108 78. .869 3. .867 1. .00 41. .96 0

ATOM 1303 N ASP A 199 24. .026 77. .660 2. .212 1. .00 40. .93 N

ATOM 1305 CA ASP A 199 25. .393 78, .050 2. .506 1. .00 40. .21 c

ATOM 1307 CB ASP A 199 26. .340 77, .405 1. .493 1. .00 40. .03 c

ATOM 1310 CG ASP A 199 26. .492 75, .916 1, .706 1. .00 40. .12 c

ATOM 1311 OD1 ASP A 199 25. .503 75, .275 2, .119 1. .00 38. .68 0

ATOM 1312 OD2 ASP A 199 27. .561 75, .306 1, .494 1. .00 39. .40 0

ATOM 1313 C ASP A 199 25. .574 79, .560 2, .465 1. .00 39. .51 c

ATOM 1314 O ASP A 199 25. .257 80 .200 1, .471 1. .00 39. .34 0

ATOM 1315 N ARG A 200 26. .099 80 .133 3 .540 1, .00 38, .70 N

ATOM 1317 CA ARG A 200 26. .394 81, .553 3, .541 1. .00 38. .12 c

ATOM 1319 CB ARG A 200 26. .761 82, .033 4, .940 1. .00 38. .57 c

ATOM 1322 CG ARG A 200 27. .077 83, .521 5, .008 1. .00 39. .54 c

ATOM 1325 CD ARG A 200 27, .573 83, .956 6, .367 1, .00 41. .54 c

ATOM 1328 NE ARG A 200 27, .969 85, .359 6 .417 1, .00 42. .19 N

ATOM 1330 CZ ARG A 200 27, .123 86 .373 6 .544 1, .00 43. .18 c

ATOM 1331 NH1 ARG A 200 25, .818 86 .152 6 .619 1, .00 43, .92 N

ATOM 1334 NH2 ARG A 200 27, .583 87 .616 6 .598 1, .00 42, .75 N

ATOM 1337 C ARG A 200 27, .566 81 .788 2 .606 1, .00 36, .94 C

ATOM 1338 O ARG A 200 27 .624 82 .790 1 .900 1 .00 36, .62 0

ATOM 1339 N PHE A 201 28 .492 80 .833 2 .596 1 .00 35, .71 N

ATOM 1341 CA PHE A 201 29, .714 80, .932 1 .804 1, .00 34. .66 C

ATOM 1343 CB PHE A 201 30, .918 80 .560 2 .669 1, .00 34. .22 C

ATOM 1346 CG PHE A 201 31, .114 81 .438 3 .866 1, .00 33, .39 C

ATOM 1347 CDI PHE A 201 31, .784 82 .656 3 .753 1, .00 33, .30 C

ATOM 1349 CEl PHE A 201 31, .995 83 .455 4 .864 1, .00 32, .19 C

ATOM 1351 CZ PHE A 201 31, .545 83 .045 6 .108 1, .00 32, .57 C

ATOM 1353 CE2 PHE A 201 30 .887 81 .828 6 .234 1, .00 32. .84 C

ATOM 1355 CD2 PHE A 201 30 .677 81 .037 5 .114 1, .00 32, .42 c

ATOM 1357 C PHE A 201 29 .678 79 .992 0 .596 1 .00 34, .27 c ATOM 1358 O PHE A 201 29.657 78.770 0 .750 1..00 33..57 o

ATOM 1359 N ARG A 202 29.670 80.548 - 0 . 609 1. .00 33, .95 N

ATOM 1361 CA ARG A 202 29.663 79.711 - 1 .. 806 1. .00 33, .74 C

ATOM 1363 CB ARG A 202 28.241 79.497 -2 . 328 1. .00 34, .65 C

ATOM 1366 CG ARG A 202 27.256 80.595 -2 . 023 1. .00 38, .44 C

ATOM 1369 CD ARG A 202 25.829 80.060 -1. 888 1. .00 43, .42 C

ATOM 1372 NE ARG A 202 24.814 81.104 - 1 .975 1. .00 48, .04 N

ATOM 1374 CZ ARG A 202 24.448 81.696 -3 .106 1. .00 52, .55 C

ATOM 1375 NHl ARG A 202 25.023 81.361 -4 .259 1, .00 53, .90 N

ATOM 1378 NH2 ARG A 202 23.498 82.627 -3 .091 1. .00 54, .45 N

ATOM 1381 C ARG A 202 30.577 80.236 -2 .901 1. .00 32, .65 C

ATOM 1382 O ARG A 202 30.547 81.431 -3 .249 1. .00 32, .33 O

ATOM 1383 N ASN A 203 31.395 79.333 -3 .432 1, .00 30 .96 N

ATOM 1385 CA ASN A 203 32.380 79.679 -4 .450 00 30.38 C

ATOM 1387 CB ASN A 203 31.703 80.025 -5 .788 00 30.20 c

ATOM 1390 CG ASN A 203 32.681 80.015 -6 . 957 00 30.50 c

ATOM 1391 OD1 ASN A 203 33.686 79.300 - 6 . 929 00 30.79 o

ATOM 1392 ND2 ASN A 203 32.405 80.831 -7 . 978 00 29.00 N

ATOM 1395 C ASN A 203 33.244 80.839 -3 . 947 00 29.89 c

ATOM 1396 O ASN A 203 33.356 ^•81.869 -4 .596 00 29.41 o

ATOM 1397 N ARG A 204 33.840 80.668 -2 .771 00 29.12 N

ATOM 1399 CA ARG A 204 34.702 81.703 -2.209 00 29.16 C

ATOM 1401 CB ARG A 204 33.977 82.499 -1. 131 00 28.75 C

ATOM 1404 CG ARG A 204 32.928 83.448 -1. 653 00 29.77 C

ATOM 1407 CD ARG A 204 32.262 84.247 - 0 .551 00 31.21 c

ATOM 1410 NE ARG A 204 31.320 85.239 -1.050 1.00 32.37 N

ATOM 1412 CZ ARG A 204 31.632 86.499 -1.322 1.00 32.21 C

ATOM 1413 NHl ARG A 204 32.871 86.927 -1 .148 .00 31. .68 N

ATOM 1416 NH2 ARG A 204 30.700 87.326 - 1.777 .00 32. .71 N

ATOM 1419 C ARG A 204 35.923 81.077 -1 .594 .00 29, .02 C

ATOM 1420 O ARG A 204 35.875 79.926 -1 . 118 .00 27. .62 O

ATOM 1421 N ILE A 205 37.017 81.835 - 1 .607 .00 28. .24 N

ATOM 1423 CA ILE A 205 38.245 81.403 - 0 .976 .00 28. .58 C

ATOM 1425 CB ILE A 205 39.454 82.114 -1.596 .00 28, .66 C

ATOM 1427 CGI ILE A 205 39.543 81.753 -3 . 077 .00 29. .51 C

ATOM 1430 CDI ILE A 205 40.504 82.565 -3 . 871 .00 30. .02 C

ATOM 1434 CG2 ILE A 205 40.723 81.696 -0 . 864 .00 28, .24 c

ATOM 1438 C ILE A 205 38.102 81.690 0 .519 .00 28, .88 c

ATOM 1439 O ILE A 205 37.798 82.817 0.928 .00 29. .04 O

ATOM 1440 N MSE A 206 38.350 80.667 1. 330 .00 28. .79 N

ATOM 1442 CA MSE A 206 38.056 80.688 754 .00 28, .72 C

ATOM 1444 CB MSE A 206 37.434 79.335 121 .00 29, .08 C

ATOM 1447 CG MSE A 206 35.948 79.279 378 .00 30. .54 C

ATOM 1450 SE MSE A 206 34.796 80.668 865 .00 30. .41 SE

ATOM 1451 CE MSE A 206 33.769 80.551 297 .00 30. .41 C

ATOM 1455 C MSE A 206 39.271 80.892 650 .00 28, .75 c

ATOM 1456 O MSE A 206 40.156 80.027 707 .00 27, .48 o

ATOM 1457 N PHE A 207 39.294 82.036 4.348 .00 28. .83 N

ATOM 1459 CA PHE A 207 40.354 82.370 5.308 .00 28, .93 c

ATOM 1461 CB PHE A 207 40.849 83.802 5.089 .00 29, .21 c

ATOM 1464 CG PHE A 207 41.470 84.021 3.751 .00 28, .60 c

ATOM 1465 CDI PHE A 207 42.830 83.855 3.566 .00 28. .85 c

ATOM 1467 CEl PHE A 207 43.400 84.062 2.320 .00 28. .49 c

ATOM 1469 CZ PHE A 207 42.608 84.416 1.265 .00 27. .93 c

ATOM 1471 CE2 PHE A 207 41.242 84.556 1.445 .00 27. .87 c

ATOM 1473 CD2 PHE A 207 40.690 84.376 2.671 .00 27. .71 c

ATOM 1475 C PHE A 207 39.813 82.239 6.724 .00 28. .72 c ATOM 1476 O PHE A 207 38.870 82.925 7.089 1.00 29.19 O

ATOM 1477 N PRO A 208 40.385 81.348 7.525 1.00 29.01 N

ATOM 1478 CA PRO A 208 39.928 81.183 8.902 1. 00 29.22 C

ATOM 1480 CB PRO A 208 40.736 79.983 9.402 1.00 29.31 C

ATOM 1483 CG PRO A 208 41.269 79.316 8.180 1.00 30.04 C

ATOM 1486 CD PRO A 208 41.463 80.408 7.178 1.00 28.75 C

ATOM 1489 C PRO A 208 40.210 82.392 9.790 1.00 29.39 C

ATOM 1490 O PRO A 208 41.274 82.996 9.692 1.00 29.46 O

ATOM 1491 N LEU A 209 39.243 82.724 10.638 1.00 29.36 N

ATOM 1493 CA LEU A 209 39.367 83.800 11.604 1.00 29.11 C

ATOM 1495 CB LEU A 209 38.130 84.689 11.576 1.00 29.26 C

ATOM 1498 CG LEU A 209 37.798 85.231 10.186 1.00 28.54 C

ATOM 1500 CDI LEU A 209 36.604 86.161 10.229 1.00 30.21 C

ATOM 1504 CD2 LEU A 209 39.000 85.924 9.581 1.00 29.98 C

ATOM 1508 C LEU A 209 39.503 83.187 12.986 1.00 29.35 C

ATOM 1509 O LEU A 209 38.539 82.642 13.514 1.00 28.66 o

ATOM 1510 N LYS A 210 40.694 83.295 13.570 1.00 29.41 N

ATOM 1512 CA LYS A 210 40.973 82.728 14.882 1.00 30.00 C

ATOM 1514 CB LYS A 210 42.370 82.103 14.884 1. 00 30.44 C

ATOM 1517 CG LYS A 210 42.471 80.889 13.945 1.00 31.76 C

ATOM 1520 CD LYS A 210 43.822 80.187 14.006 1.00 32.96 C

ATOM 1523 CE LYS A 210 43.876 79.052 12.983 1.00 34.22 C

ATOM 1526 NZ LYS A 210 45.243 78.578 12.693 1.00 35.71 N

ATOM 1530 C LYS A 210 40.872 83.762 15.999 1.00 30.59 C

ATOM 1531 O LYS A 210 41.278 84.918 15.827 1.00 30.18 O

ATOM 1532 N ASN A 211 40.315 83.349 17.135 1.00 30.83 N

ATOM 1534 CA ASN A 211 40.200 84.228 18.286 1.00 31.62 C

ATOM 1536 CB ASN A 211 39.070 83.781 19.217 1. 00 31.68 C

ATOM 1539 CG ASN A 211 39.387 82.494 19.989 1.00 30.90 C

ATOM 1540 OD1 ASN A 211 40.489 81.947 19.920 1.00 30.11 o

ATOM 1541 ND2 ASN A 211 38.410 82.028 20.747 1.00 30.71 N

ATOM 1544 C ASN A 211 41.534 84.328 19.016 1.00 32.16 C

ATOM 1545 O ASN A 211 42.552 83.819 18.547 1.00 31.71 O

ATOM 1546 N ALA A 212 41.522 84.996 20.160 1.00 33.66 N

ATOM 1548 CA ALA A 212 42.731 85.223 20.946 1.00 34.36 C

ATOM 1550 CB ALA A 212 42.411 86.129 22.131 1.00 34.66 C

ATOM 1554 C ALA A 212 43.383 83.935 21.439 1.00 34.68 C

ATOM 1555 O ALA A 212 44.583 83.920 21.733 1.00 34.87 O

ATOM 1556 N GLN A 213 42.599 82.869 21.570 1.00 34.34 N

ATOM 1558 CA GLN A 213 43.149 81.596 22.022 1.00 33.89 C

ATOM 1560 CB GLN A 213 42.151 80.870 22.936 1.00 34.41 C

ATOM 1563 CG GLN A 213 41.990 81.484 24.329 1.00 34.85 C

ATOM 1566 CD GLN A 213 41.136 82.751 24.332 1.00 37.43 c

ATOM 1567 OEl GLN A 213 39.977 82.733 23.881 1.00 39.11 o

ATOM 1568 NΞ2 GLN A 213 41.694 83.846 24.847 1.00 34.11 N

ATOM 1571 C GLN A 213 43.563 80.707 20.831 1.00 33.69 C

ATOM 1572 O GLN A 213 43.991 79.570 21.026 1.00 33.57 O

ATOM 1573 N GLY A 214 43.426 81.216 19.604 1.00 32.37 N

ATOM 1575 CA GLY A 214 43.847 80.490 18.415 1.00 31.81 C

ATOM 1578 C GLY A 214 42.787 79.526 17.878 1.00 31.08 C

ATOM 1579 O GLY A 214 43.085 78.651 17.072 1.00 30.84 O

ATOM 1580 N ARG A 215 41.552 79.702 18.334 1.00 29.95 N

ATOM 1582 CA ARG A 215 40.446 78.847 17.945 1.00 28.97 C

ATOM 1584 CB ARG A 215 39.510 78.655 19.139 1.00 29.13 C

ATOM 1587 CG ARG A 215 40.207 78.112 20.390 1.00 29.13 C

ATOM 1590 CD ARG A 215 40.987 76.821 20.167 1.00 28.67 C

ATOM 1593 NE ARG A 215 40.125 75.710 19.773 1.00 28.57 N ATOM 1595 CZ ARG A 215 39..526 74..877 20..623 1.00 28..37 C

ATOM 1596 NHl ARG A 215 39. .682 75. .023 21. .937 1. 00 27. .11 N

ATOM 1599 NH2 ARG A 215 38. ,763 73. .890 20. .158 1. .00 26. .71 N

ATOM 1602 C ARG A 215 39. .697 79. .488 16. .792 1. ,00 28. .40 C

ATOM 1603 O ARG A 215 39. .470 80. .719 16. .794 1. .00 27. .25 O

ATOM 1604 N ILE A 216 39. ,338 78. ,681 15. .788 1. .00 27. .04 N

ATOM 1606 CA ILE A 216 38. ,608 79. .216 14. .638 1. .00 26. .57 C

ATOM 1608 CB ILE A 216 38. .645 78. .255 13. .438 1. ,00 26. .53 C

ATOM 1610 CGI ILE A 216 40. .097_, 78. .000 13. .009 1. ,00 26. .67 C

ATOM 1613 CDI ILE A 216 40. .267 76. .992 11. .869 1. .00 26. .68 C

ATOM 1617 CG2 ILE A 216 37. .870 78. .864 12. .277 1. .00 25. .72 c

ATOM 1621 C ILE A 216 37. .183 79. .530 15. .055 1. .00 26. .78 c

ATOM 1622 O ILE A 216 36. .447 78. .634 15. .527 1. .00 26. .67 0

ATOM 1623 N VAL A 217 36. .792 80. .794 14. .880 1. .00 26. .79 N

ATOM 1625 CA VAL A 217 35. .468 81. .263 15. .293 1. .00 27, .40 C

ATOM 1627 CB VAL A 217 35. .542 82, .324 16. .423 1. .00 27, .38 C

ATOM 1629 CGI VAL A 217 36. .093 81. .703 17. .702 1. .00 27. .49 c

ATOM 1633 CG2 VAL A 217 36. .356 83. .535 16. .004 1. .00 28. .20 c

ATOM 1637 C VAL A 217 34. .640 81. .802 14. .139 1. .00 27. .54 c

ATOM 1638 O VAL A 217 33. .451 82. .087 14. .287 1. .00 27, .93 0

ATOM 1639 N GLY A 218 35. .254 81. .948 12. .977 1. .00 27. .99 N

ATOM 1641 CA GLY A 218 34. .517 82, .414 11. .823 1. .00 27, .90 c

ATOM 1644 C GLY A 218 35. .377 82, .367 10. .590 1. .00 28, .05 c

ATOM 1645 O GLY A 218 36. .503 81, .874 10, .638 1. .00 27, .84 0

ATOM 1646 N TYR A 219 34. .844 82, .885 9, .487 1. .00 28, .36 N

ATOM 1648 CA TYR A 219 35, .564 82, .926 8, .229 1. .00 28, .25 C

ATOM 1650 CB TYR A 219 35, .083 81, .800 7, .304 1. .00 28, .14 C

ATOM 1653 CG TYR A 219 35. .576 80, .441 7, .706 1. .00 26. .85 C

ATOM 1654 CDI TYR A 219 36. .815 79. .983 7. .295 1. .00 26. .88 c

ATOM 1656 CEl TYR A 219 37. .279 78, .733 7, .690 1. .00 27. .02 c

ATOM 1658 CZ TYR A 219 36. .483 77, .939 8, .483 1. .00 27, .06 c

ATOM 1659 OH TYR A 219 36. .902 76, .704 8, .901 1. .00 26, .81 0

ATOM 1661 CE2 TYR A 219 35, .250 78, .379 8, .890 1. .00 27, .36 c

ATOM 1663 CD2 TYR A 219 34, .812 79, .626 8, .515 1. .00 27, .02 c

ATOM 1665 C TYR A 219 35, .368 84, .232 7, .474 1. .00 28. .41 c

ATOM 1666 O TYR A 219 34, .359 84 .923 7 .643 1. .00 28, .95 0

ATOM 1667 N SER A 220 36, .358 84 .555 6 .650 1, .00 28 .08 N

ATOM 1669 CA SER A 220 36, .220 85, .598 5, .649 1. .00 28, .25 c

ATOM 1671 CB SER A 220 37, .236 86, .720 5, .811 1. .00 28, .50 c

ATOM 1674 OG SER A 220 36, .978 87, .747 4, .850 1. .00 28, .41 0

ATOM 1676 C SER A 220 36, .421 84, .914 4 .305 1. .00 28, .36 c

ATOM 1677 O SER A 220 37, .465 84 .297 4 .052 1, .00 28, .33 0

ATOM 1678 N GLY A 221 35, .409 85 .000 3 .453 1, .00 28, .63 N

ATOM 1680 CA GLY A 221 35, .449 84 .362 2 .154 1, .00 28, .26 C

ATOM 1683 C GLY A 221 35 .605 85 .367 1 .033 1, .00 28, .17 C

ATOM 1684 O GLY A 221 34 .776 86 .274 0 .859 1, .00 27, .47 0

ATOM 1685 N ARG A 222 36 .666 85 .206 0 .254 1, .00 28 .35 N

ATOM 1687 CA ARG A 222 36 .893 86 .101 -0 .860 1, .00 28 .89 C

ATOM 1689 CB ARG A 222 38, .355 86, .453 -0 .975 1, .00 29, .75 C

ATOM 1692 CG ARG A 222 38, .546 87 .586 -1, .940 1, .00 31, .94 C

ATOM 1695 CD ARG A 222 39, .946 87 .979 -2 .214 1, .00 34, .70 C

ATOM 1698 NE ARG A 222 39, .946 89 .242 -2 .949 1, .00 37, .54 N

ATOM 1700 CZ ARG A 222 40, .436 89 .404 -4 .161 1, .00 39, .79 C

ATOM 1701 NHl ARG A 222 40, .975 88 .378 -4 .793 1, .00 41, .74 N

ATOM 1704 NH2 ARG A 222 40 .387 90 .590 -4 .760 1, .00 40, .18 N

ATOM 1707 C ARG A 222 36 .458 85 .535 -2 .201 1, .00 28 .59 C

ATOM 1708 O ARG A 222 36 .757 84 .388 -2 .531 1, .00 27, .24 O ATOM 1709 N THR A 223 35..778 86.,367 -2.983 1.,00 28.,42 N

ATOM 1711 CA THR A 223 35. .413 86. .005 -4. ,350 1. ,00 28. .75 C

ATOM 1713 CB THR A 223 34. .482 87. .063 -4. ,939 1. ,00 28. .50 C

ATOM 1715 OGl THR A 223 33. .913 86. .596 -6. .171 1. ,00 28. .51 0

ATOM 1717 CG2 THR A 223 35. .264 88. .309 -5. .328 1. .00 29. .02 C

ATOM 1721 C THR A 223 36. .686 85. .938 -5. ,179 1. .00 29. .29 c

ATOM 1722 O THR A 223 37. .745 86. .372 -4. .736 1. .00 28. .26 0

ATOM 1723 N TYR A 224 36. .589 85. .343 -6. .358 1. .00 30. .50 N

ATOM 1725 CA TYR A 224 37. .688 85. .341 -7. .311 1. .00 31. .63 C

ATOM 1727 CB TYR A 224 38. .562 84. .081 -7. .227 1. .00 32. .00 C

ATOM 1730 CG TYR A 224 37. .852 82. .774 -7. .562 1. .00 31. .93 C

ATOM 1731 CDI TYR A 224 37. .932 82. .218 -8. .825 1. .00 33. .51 C

ATOM 1733 CEl TYR A 224 37. .281 81. .030 -9. .126 1. .00 33. .33 c

ATOM 1735 CZ TYR A 224 36. .553 80. .390 -8. .149 1. .00 33. .38 c

ATOM 1736 OH TYR A 224 35. .899 79. .210 -8. .439 1. .00 32. .50 0

ATOM 1738 CE2 TYR A 224 36. .468 80. .934 -6. .887 1. .00 32. .74 c

ATOM 1740 CD2 TYR A 224 37. .117 82. .108 -6. .606 1. .00 33. .27 c

ATOM 1742 C TYR A 224 37. .048 85. .517 -8. .676 1. .00 32. .60 c

ATOM 1743 O TYR A 224 37. .703 85. .385 -9. .708 1. .00 32. .81 o

ATOM 1744 N THR A 225 35. .753 85. .839 -8. .662 1. .00 33. .95 N

ATOM 1746 CA THR A 225 34. .982 86. .062 -9. .884 1. .00 35. .07 C

ATOM 1748 CB THR A 225 33. .999 84. .896 -10. .135 1. .00 35. .29 c

ATOM 1750 OGl THR A 225 33. .097 84, .777 -9. .022 1. .00 35. .79 o

ATOM 1752 CG2 THR A 225 34. .715 83. .538 -10. .196 1. .00 35. .79 c

ATOM 1756 C THR A 225 34. .181 87. .376 -9. .835 1. .00 35. .60 c

ATOM 1757 O THR A 225 33. .210 87. .542 -10. .589 1. .00 36. .00 0

ATOM 1758 N GLY A 226 34, .566 88, .284 -8, .946 1. .00 36. .18 N

ATOM 1760 CA GLY A 226 33, .931 89, .593 -8, .831 1. .00 36. .79 C

ATOM 1763 C GLY A 226 32 .557 89, .631 -8, .176 1. .00 37. .34 C

ATOM 1764 O GLY A 226 31, .742 90. .487 -8. .507 1. .00 37. .18 o

ATOM 1765 N GLN A 227 32, .295 88. .734 -7, .230 1. .00 37. .91 N

ATOM 1767 CA GLN A 227 30, .975 88, .692 -6. .595 1. .00 38. .45 c

ATOM 1769 CB GLN A 227 30, .673 87, .294 -6. .055 1. .00 38. .70 c

ATOM 1772 CG GLN A 227 30 .378 86, .268 -7, .149 1. .00 39. .95 c

ATOM 1775 CD GLN A 227 29 .175 86, .651 -8, .010 1. .00 42. .37 c

ATOM 1776 OEl GLN A 227 28, .025 86, .392 -7. .639 1. .00 44. .23 0

ATOM 1777 NΞ2 GLN A 227 29 .441 87, .266 -9. .160 1. .00 42. .46 N

ATOM 1780 C GLN A 227 30 .839 89, .732 -5. .489 1. .00 38. .31 C

ATOM 1781 O GLN A 227 31 .801 90, .424 -5, .160 1. .00 38. .31 O

ATOM 1782 N PRO A 229 29 .755 91, .252 -2, .519 1. .00 38. .61 N

ATOM 1783 CA PRO A 229 30 .789 91 .632 -1, .550 1. .00 38. .37 C

ATOM 1785 CB PRO A 229 30, .195 91, .185 -0. .205 1. .00 38. .63 C

ATOM 1788 CG PRO A 229 28 .792 90, .785 -0. .483 1. .00 38. .49 C

ATOM 1791 CD PRO A 229 28 .725 90, .396 -1, .916 1. .00 38. .58 c

ATOM 1794 C PRO A 229 32 .092 90 .890 -1, .801 1. .00 38, .29 c

ATOM 1795 O PRO A 229 32 .093 89 .657 -1, .770 1, .00 38, .14 o

ATOM 1796 N LYS A 230 33 .174 91 .626 -2, .037 1, .00 37, .92 N

ATOM 1798 CA LYS A 230 34 .487 91, .036 -2, .286 1. .00 37, .82 C

ATOM 1800 CB LYS A 230 35 .516 92, .138 -2, .379 1. .00 38, .20 C

ATOM 1803 CG LYS A 230 36 .830 91 .762 -2, .993 1. .00 39, .40 C

ATOM 1806 CD LYS A 230 37 .543 93 .056 -3, .361 1, .00 42, .14 C

ATOM 1809 CE LYS A 230 39 .036 92 .951 -3, .331 1, .00 43, .60 C

ATOM 1812 NZ LYS A 230 39 .664 94 .310 -3 .219 1, .00 44, .97 N

ATOM 1816 C LYS A 230 34 .870 90, .062 -1, .175 1. .00 37. .62 C

ATOM 1817 O LYS A 230 35 .301 88, .935 -1, .440 1. .00 36, .80 O

ATOM 1818 N TYR A 231 34 .735 90, .518 0, .068 1. .00 37, .14 N

ATOM 1820 CA TYR A 231 34 .970 89 .674 1, .223 1, .00 37, .09 C ATOM 1822 CB TYR A 231 36.,023 90..240 2..164 1.00 36.,88 C

ATOM 1825 CG TYR A 231 37. ,404 90. .178 1. .601 1. 00 37. .20 C

ATOM 1826 CDI TYR A 231 38. ,253 89. .119 1. .893 1. 00 37. .61 C

ATOM 1828 CEl TYR A 231 39. .529 89. .065 1. .363 1. ,00 36. .99 C

ATOM 1830 CZ TYR A 231 39. .959 90. .083 0. .536 1. ,00 38. .14 C

ATOM 1831 OH TYR A 231 41. .219 90. .047 -0. .009 1. ,00 39. .87 O

ATOM 1833 CE2 TYR A 231 39. .133 91. .140 0. .239 1. .00 37. .81 C

ATOM 1835 CD2 TYR A 231 37. .868 91. .183 0. .769 1. .00 37. .87 C

ATOM 1837 C TYR A 231 33. .685 89. .590 1. .978 1. .00 37. .14 C

ATOM 1838 O TYR A 231 33. .100 90. .613 2. .330 1. .00 37. .18 O

ATOM 1839 N LEU A 232 33. .246 88. .365 2. .211 1. .00 37. .06 N

ATOM 1841 CA LEU A 232 32. .067 88. .109 2. .994 1. .00 37. .26 C

ATOM 1843 CB LEU A 232 31. .125 87. .180 2. .239 1. .00 37. .27 C

ATOM 1846 CG LEU A 232 29. .868 86. .759 2. .994 1. .00 37. .39 c

ATOM 1848 CDI LEU A 232 28. .981 87. .960 3. .259 1. .00 38. .03 c

ATOM 1852 CD2 LEU A 232 29. .116 85. .710 2. .191 1. .00 37. .45 c

ATOM 1856 C LEU A 232 32. .567 87. .452 4. .271 1. .00 37. .53 c

ATOM 1857 O LEU A 232 33. .311 86. .474 4. .219 1. .00 37. .10 0

ATOM 1858 N ASN A 233 32. .192 88, .015 5. .412 1. .00 37. .84 N

ATOM 1860 CA ASN A 233 32, .605 87, .479 6, .691 1. .00 38. .33 c

ATOM .1862 CB ASN A 233 32. .920 88, .600 7, .684 1. .00 38. .38 c

ATOM 1865 CG ASN A 233 34, .097 89, .427 7, .274 1. .00 38. .80 C

ATOM 1866 OD1 ASN A 233 35, .035 88, .930 6, .648 1. .00 39, .60 o

ATOM 1867 ND2 ASN A 233 34, .066 90, .711 7, .632 1. .00 40, .16 N

ATOM 1870 C ASN A 233 31, .494 86, .676 7, .281 1. .00 38, .46 C

ATOM 1871 O ASN A 233 30. .370 86, .709 6, .796 1. .00 38. .51 O

ATOM 1872 N SER A 234 31. .815 85, .967 8, .349 1. .00 38. .97 N

ATOM 1874 CA SER A 234 30, .805 85, .293 9, .119 1. .00 39. .75 C

ATOM 1876 CB SER A 234 31, .443 84, .525 10, .268 1. .00 39. .67 C

ATOM 1879 OG SER A 234 32, .347 83, .560 9. .776 1. .00 38. .53 O

ATOM 1881 C SER A 234 29, .895 86, .370 9, .677 1. .00 40. .91 C

ATOM 1882 O SER A 234 30, .306 87, .509 9. .835 1. .00 41'. .01 O

ATOM 1883 N PRO A 235 28, .661 86 .013 9 .991 1. .00 42. .58 N

ATOM 1884 CA PRO A 235 27, .729 86 .971 10 .575 1. .00 43, .53 C

ATOM 1886 CB PRO A 235 26, .380 86 .262 10 .488 1. .00 43, .53 C

ATOM 1889 CG PRO A 235 26 .620 84 .977 9 .782 1. .00 43, .24 C

ATOM 1892 CD PRO A 235 28, .068 84 .680 9 .851 1. .00 42, .50 C

ATOM 1895 C PRO A 235 28 .098 87 .179 12 .023 1. .00 44, .54 C

ATOM 1896 O PRO A 235 29 .170 86 .731 12 .423 1, .00 45, .09 O

ATOM 1897 N GLU A 236 27, .214 87 .815 12 .787 1. .00 45, .22 N

ATOM 1899 CA GLU A 236 27, .445 88 .102 14 .195 1. .00 45, .69 C

ATOM 1901 CB GLU A 236 26, .657 89 .361 14 .576 1. .00 45, .88 C

ATOM 1904 CG GLU A 236 27, .435 90 .441 15 .303 1. .00 46, .95 C

ATOM 1907 CD GLU A 236 28 .812 90 .726 14 .732 1. .00 47, .50 C

ATOM 1908 OEl GLU A 236 29 .072 90 .442 13 .549 1. .00 49, .49 O

ATOM 1909 OE2 GLU A 236 29 .647 91 .253 15 .484 1. .00 48, .85 O

ATOM 1910 C GLU A 236 26 .978 86 .876 14 .994 1. .00 45, .72 C

ATOM 1911 O GLU A 236 25 .822 86 .480 14 .905 1, .00 45, .41 0

ATOM 1912 N THR A 237 27 .878 86 .303 15 .785 1, .00 46, .03 N

ATOM 1914 CA THR A 237 27 .626 85 .060 16 .502 1, .00 46, .63 C

ATOM 1916 CB THR A 237 28 .476 83 .950 15 .836 1, .00 46, .56 C

ATOM 1918 OGl THR A 237 28 .184 83 .894 14 .435 1, .00 47, .92 O

ATOM 1920 CG2 THR A 237 28 .112 82 .577 16 .320 1, .00 47 .42 C

ATOM 1924 C THR A 237 28 .054 85 .162 17 .954 1. .00 46, .48 C

ATOM 1925 O THR A 237 28 .829 86 .029 18 .307 1. .00 46. .92 O

ATOM 1926 N PRO A 238 27 .550 84 .270 18 .798 1. .00 46, .57 N

ATOM 1927 CA PRO A 238 28 .018 84 .181 20 .179 1. .00 46, .53 C ATOM 1929 CB PRO A 238 27..241 82,.988 20..739 1..00 46,.64 C

ATOM 1932 CG PRO A 238 26. .059 82, .828 19, .873 1. .00 46 .79 C

ATOM 1935 CD PRO A 238 26, .450 83, .334 18, .530 1, .00 46 .65 C

ATOM 1938 C PRO A 238 29. .522 83, .915 20, .273 1. .00 46, .20 C

ATOM 1939 O PRO A 238 30, .093 84, .101 21, .344 1. .00 46 .55 O

ATOM 1940 N ILE A 239 30, .152 83, .503 19, .175 1, .00 45 .61 N

ATOM 1942 CA ILE A 239 31 .584 83, .215 19, .180 1, .00 45 .04 C

ATOM 1944 CB ILE A 239 31, .840 81, .745 18. .785 1. .00 44, .74 C

ATOM 1946 CGI ILE A 239 31, .341 81, .470 17, .364 1, .00 43 .31 c

ATOM 1949 CDI ILE A 239 31, .991 80, .272 16, .712 1. .00 41 .80 c

ATOM 1953 CG2 ILE A 239 31, .179 80 .821 19, .788 1, .00 44 .73 c

ATOM 1957 C ILE A 239 32, .398 84, .139 18. .279 1. .00 45, .27 c

ATOM 1958 O ILE A 239 33, .610 84. .254 18, .447 1. .00 44 .75 0

ATOM 1959 N PHE A 240 31, .750 84, .791 17, .319 1, .00 45 .75 N

ATOM 1961 CA PHE A 240 32 .460 85 .715 16, .435 1, .00 46 .44 C

ATOM 1963 CB PHE A 240 32, .563 85, .165 15. .016 1. .00 46, .12 C

ATOM 1966 CG PHE A 240 33, .045 86, .176 14. .015 1. .00 44, .08 c

ATOM 1967 CDI PHE A 240 34, .375 86 .539 13, .945 1. .00 42 .29 c

ATOM 1969 CEl PHE A 240 34, .801 87, .475 13, .005 1. .00 41, .83 c

ATOM 1971 CZ PHE A 240 33, .891 88, .049 12. .142 1. .00 40, .06 c

ATOM 1973 CE2 PHE A 240 32, .573 87, .693 12, .216 1. .00 41, .63 c

ATOM 1975 CD2 PHE A 240 32, .156 86, .761 13, .141 1. .00 42, .72 c

ATOM 1977 C PHE A 240 31, .792 87. .077 16. .400 1. .00 47. .57 c

ATOM 1978 O PHE A 240 30, .573 87, .185 16. .278 1. .00 48, .13 0

ATOM 1979 N GLN A 241 32, .608 88, .115 16. .493 1. .00 49, .02 N

ATOM 1981 CA GLN A 241 32, .115 89, .483 16, .521 1. .00 50, .25 c

ATOM 1983 CB GLN A 241 31, .878 89. .899 17. .972 1. .00 50, .68 c

ATOM 1986 CG GLN A 241 30, .718 90, .853 18, .179 1. .00 52, .52 c

ATOM 1989 CD GLN A 241 29, .396 90, .146 18, .412 1. .00 54, .98 c

ATOM 1990 OEl GLN A 241 29 .369 88, .989 18, .839 1. .00 56, .81 0

ATOM 1991 NE2 GLN A 241 28, .293 90, .846 18. .143 1. .00 55. .99 N

ATOM 1994 C GLN A 241 33, .163 90, .387 15. .887 1. .00 50. .46 C

ATOM 1995 O GLN A 241 34, .275 90, .480 16, .402 1. .00 50, .05 0

ATOM 1996 N LYS A 242 32, .822 91, .044 14, .777 1. .00 51, .21 N

ATOM 1998 CA LYS A 242 33. .782 91. .924 14. .087 1. .00 52, .19 C

ATOM 2000 CB LYS A 242 33, .078 92, .860 13, .102 1. .00 52, .53 c

ATOM 2003 CG LYS A 242 32, .664 92, .213 11, .800 1. .00 53, .26 c

ATOM 2006 CD LYS A 242 31, .912 93, .194 10, .909 1. .00 54, .55 c

ATOM 2009 CE LYS A 242 32. .825 94. .244 10. .295 1. .00 55. .22 c

ATOM 2012 NZ LYS A 242 32, .130 95, .113 9. .286 1. .00 55. .88 N

ATOM 2016 C LYS A 242 34, .575 92, .782 15, .055 1. .00 52, .14 C

ATOM 2017 O LYS A 242 35, .789 92, .636 15, .174 1. .00 53, .05 O

ATOM 2018 N ARG A 243 33, .874 93. .687 15. .735 1. .00 52. .00 N

ATOM 2020 CA ARG A 243 34, .480 94. .629 16. .681 1. .00 51. .51 C

ATOM 2022 CB ARG A 243 33, .402 95, .202 17, .610 1. .00 52. .30 C

ATOM 2025 CG ARG A 243 32. .532 96. .337 17. .090 1. .00 55. .68 C

ATOM 2028 CD ARG A 243 31. .666 96. .911 18. .239 1. .00 60. .18 c

ATOM 2031 NE ARG A 243 30, .607 97. .848 17. .859 1. .00 63. .60 N

ATOM 2033 CZ ARG A 243 29, .638 98, .242 18. .691 1. .00 65. .91 C

ATOM 2034 NHl ARG A 243 29. .598 97. .776 19. .940 1. .00 66. .47 N

ATOM 2037 NH2 ARG A 243 28. .706 99. .101 18. .284 1. .00 66. .45 N

ATOM 2040 C ARG A 243 35. .530 94. .034 17. .601 1. .00 49. .78 C

ATOM 2041 O ARG A 243 36, .362 94. .760 18. .143 1. .00 49. .63 O

ATOM 2042 N LYS A 244 35. .482 92. .728 17. .817 1. .00 47. .63 N

ATOM 2044 CA LYS A 244 36. .350 92. .125 18. .824 1. ,00 46. .40 C

ATOM 2046 CB LYS A 244 35. .490 91. .328 19. .808 1. ,00 46. .61 c

ATOM 2049 CG LYS A 244 34. .691 92. .238 20. .757 1. .00 47. .70 c ATOM 2052 CD LYS A 244 33..261 91.,778 20..991 1..00 48.,87 C

ATOM 2055 CE LYS A 244 32. .381 92. ,922 21. ,506 1. ,00 49. .69 C

ATOM 2058 NZ LYS A 244 30. .989 92. .476 21. .817 1. ,00 49. .48 N

ATOM 2062 C LYS A 244 37. .486 91. .272 18. .264 1. .00 44. .71 C

ATOM 2063 O LYS A 244 38. .483 91. .045 18. .940 1. .00 44. .71 0

ATOM 2064 N LEU A 245 37. .356 90. .810 17. .029 1. .00 42. .78 N

ATOM 2066 CA LEU A 245 38. .403 89. .971 16. .459 1. .00 41. .13 c

ATOM 2068 CB LEU A 245 37. .870 89. ,102 15. .331 1. .00 41. .16 c

ATOM 2071 CG LEU A 245 38. .761 87. .861 15. .160 1. .00 41. .89 c

ATOM 2073 CDI LEU A 245 37. .958 86. .633 14. .785 1. .00 41. .75 c

ATOM 2077 CD2 LEU A 245 39. .863 88. .104 14. .154 1. .00 41. .71 c

ATOM 2081 C LEU A 245 39. .597 90. .778 15. .959 1. .00 39. .31 c

ATOM 2082 O LEU A 245 39, .475 91. .662 15. .109 1. .00 38. .66 o

ATOM 2083 N LEU A 246 40, .759 90. .443 16. .491 1. .00 37. .05 N

ATOM 2085 CA LEU A 246 41, .985 91. .058 16, .068 1. .00 35. .63 c

ATOM 2087 CB LEU A 246 42. .770 91. .526 17. .287 1. .00 35. .95 c

ATOM 2090 CG LEU A 246 43. .721 92. .705 17. .136 1. .00 35. .65 c

ATOM 2092 CDI LEU A 246 43, .129 93. .858 16. .341 1. .00 35. .94 c

ATOM 2096 CD2 LEU A 246 44, .115 93. .151 18. .522 1. .00 35. .57 c

ATOM 2100 C LEU A 246 42, .742 89. .992 15. .304 1. .00 34. .20 c

ATOM 2101 O LEU A 246 43, .361 89. .113 15, .894 1. .00 33. .94 o

ATOM 2102 N TYR A 247 42, .673 90. .057 13, .987 1. .00 32. .30 N

ATOM 2104 CA TYR A 247 43, .287 89. .049 13. .148 1. .00 31. .86 C

ATOM 2106 CB TYR A 247 43, .000 89. .356 11. .673 1. .00 31. .17 C

ATOM 2109 CG TYR A 247 43, .486 88. .276 10. .758 1. .00 30. •92 c

ATOM 2110 CDI TYR A 247 42 .669 87. .197 10. .418 1. .00 30. .25 c

ATOM 2112 CEl TYR A 247 43 .131 86. .195 9, .595 1. .00 29. .51 c

ATOM 2114 CZ TYR A 247 44 .413 86. .250 9, .109 1. .00 29. .94 c

ATOM 2115 OH TYR A 247 44 .897 85, .262 8, .288 1, .00 28. .83 0

ATOM 2117 CE2 TYR A 247 45, .228 87. .317 9. .422 1. .00 28. .63 c

ATOM 2119 CD2 TYR A 247 44, .763 88. .308 10. .246 1. .00 29. .12 c

ATOM 2121 C TYR A 247 44 .796 88. .852 13. .389 1. .00 31. .85 c

ATOM 2122 O TYR A 247 45 .578 89. .820 13, .374 1. .00 31. .38 0

ATOM 2123 N ASN A 248 45 .181 87. .588 13, .612 1. .00 31. .11 N

ATOM 2125 CA ASN A 248 46 .570 87, .149 13, .768 1, .00 31. .04 c

ATOM 2127 CB ASN A 248 47 .472 87, .830 12, .741 1, .00 31, .52 c

ATOM 2130 CG ASN A 248 48, .680 86. .993 12. .391 1. .00 32. .50 c

ATOM 2131 OD1 ASN A 248 48 .558 85. .792 12, .107 1. .00 32. .68 o

ATOM 2132 ND2 ASN A 248 49 .863 87, .606 12, .428 1. .00 30. .40 N

ATOM 2135 C ASN A 248 47 .150 87, .333 15, .177 1, .00 30, .92 c

ATOM 2136 O ASN A 248 48 .283 86. .978 15, .433 1, .00 30, .19 0

ATOM 2137 N LEU A 249 46 .363 87, .857 16, .101 1, .00 31, .46 N

ATOM 2139 CA LEU A 249 46 .861 88, .088 17 .439 1, .00 32, .38 C

ATOM 2141 CB LEU A 249 45 .728 88, .567 18. .326 1. .00 32. .83 C

ATOM 2144 CG LEU A 249 46 .095 88, .912 19, .763 1, .00 35. .26 C

ATOM 2146 CDI LEU A 249 47 .224 89, .928 19, .811 1, .00 36. .28 C

ATOM 2150 CD2 LEU A 249 44 .856 89, .443 20, .464 1, .00 37, .24 C

ATOM 2154 C LEU A 249 47 .494 86, .812 18, .007 1, .00 32, .67 C

ATOM 2155 O LEU A 249 48 .591 86, .854 18 .579 1, .00 31, .77 0

ATOM 2156 N ASP A 250 46 .813 85, .681 17 .792' 1, .00 32, .60 N

ATOM 2158 CA ASP A 250 47 .260 84. .383 18, .302 1, .00 32. .87 C

ATOM 2160 CB ASP A 250 46 .260 83, .259 17, .918 1, .00 33, .60 C

ATOM 2163 CG ASP A 250 46 .228 82, .944 16, .402 1, .00 35, .30 C

ATOM 2164 OD1 ASP A 250 45 .971 83, .856 15, .570 1, .00 35, .39 o

ATOM 2165 OD2 ASP A 250 46 .435 81, .779 15, .966 1, .00 39, .76 0

ATOM 2166 C ASP A 250 48 .662 84, .043 17, .851 1, .00 32, .12 c

ATOM 2167 O ASP A 250 49 .517 83, .707 18, .664 1, .00 31, .41 0 ATOM 2168 N LYS A 251 48..905 84.,160 16..557 1.,00 31..81 N

ATOM 2170 CA LYS A 251 50. .207 83. .831 15. .997 1. .00 32. .12 C

ATOM 2172 CB LYS A 251 50. .075 83. .595 14. .492 1. .00 32. .43 C

ATOM 2175 CG LYS A 251 51. .422 83. .579 13. .800 1. .00 35. .27 C

ATOM 2178 CD LYS A 251 51. .390 83. .068 12. .369 1. .00 38, .58 C

ATOM 2181 CE LYS A 251 52. .814 83. .033 11. .816 1. .00 39. .25 C

ATOM 2184 NZ LYS A 251 52. .905 82. .581 10. .421 1. .00 41. .66 N

ATOM 2188 C LYS A 251 51. .272 84. .897 16. .306 1. .00 31. .47 C

ATOM 2189 O LYS A 251 52. .431 84. .569 16. .581 1. .00 30. .96 0

ATOM 2190 N ALA A 252 50. .857 86. .167 16. .316 1. .00 30. .77 N

ATOM 2192 CA ALA A 252 51. .775 87. .309 16. .495 1. .00 30, .28 C

ATOM 2194 CB ALA A 252 51. .108 88. .561 15. .895 1. .00 30. .41 C

ATOM 2198 C ALA A 252 52. .221 87. .609 17. .937 1. .00 29. .87 c

ATOM 2199 O ALA A 252 53. .262 88. .237 18. .165 1. .00 27. .97 0

ATOM 2200 N ARG A 253 51, .443 87. .144 18. .908 1. .00 30. .00 N

ATOM 2202 CA ARG A 253 51, .680 87. .474 20, .303 1. .00 30, .30 C

ATOM 2204 CB ARG A 253 50, .771 86. .654 21, .216 1. .00 30, .81 C

ATOM 2207 CG ARG A 253 50. .796 87. .143 22. .644 1. .00 33. .04 C

ATOM 2210 CD ARG A 253 50. .000 86. .293 23, .616 1. .00 35. .83 C

ATOM 2213 NE ARG A 253 48, .558 86. .416 23. .436 1. .00 38. .41 N

ATOM 2215 CZ ARG A 253 47, .781 85. .519 22. .813 1. .00 39. .62 C

ATOM 2216 NHl ARG A 253 48, .299 84. .420 22, .280 1. .00 39. .47 N

ATOM 2219 NH2 ARG A 253 46, .479 85, .736 22, .708 1. .00 38, .60 N

ATOM 2222 C ARG A 253 53, .125 87. .282 20. .727 1. .00 30. .55 C

ATOM 2223 O ARG A 253 53, .721 88. .160 21. .363 1. .00 29. .40 O

ATOM 2224 N LYS A 254 53, .693 86, .140 20, .380 1. .00 30. .58 N

ATOM 2226 CA LYS A 254 55, .062 85, .857 20, .776 1. .00 31. .37 C

ATOM 2228 CB LYS A 254 55, .495 84, .472 20, .314 1. .00 32, .06 C

ATOM 2231 CG LYS A 254 56, .902 84, .096 20, .803 1. .00 34, .97 c

ATOM 2234 CD LYS A 254 57, .195 82, .612 20, .560 1. .00 39. .21 c

ATOM 2237 CE LYS A 254 58, .472 82, .187 21, .266 1. .00 42. .15 c

ATOM 2240 NZ LYS A 254 58, .677 80, .703 21, .282 1. .00 44. .00 N

ATOM 2244 C LYS A 254 56, .041 86, .892 20, .237 1. .00 30. .40 c

ATOM 2245 O LYS A 254 56, .906 87, .372 20, .969 1. .00 29. .93 O

ATOM 2246 N SER A 255 55 .922 87 .227 18, .957 1. .00 29, .40 N

ATOM 2248 CA SER A 255 56, .850 88, .191 18. .363 1. .00 28. .87 C

ATOM 2250 CB SER A 255 56, .784 88, .160 16, .845 1. .00 29. .21 C

ATOM 2253 OG SER A 255 55, .495 88 .493 16, .364 1. .00 30. .36 0

ATOM 2255 C SER A 255 56 .603 89 .599 18, .903 1. .00 28. .33 c

ATOM 2256 O SER A 255 57 .554 90 .360 19, .128 1. .00 28, .42 0

ATOM 2257 N ILE A 256 55 .336 89 .935 19, .139 1. .00 27, .39 N

ATOM 2259 CA ILE A 256 54, .976 91, .231 19, .690 1. .00 27. .15 C

ATOM 2261 CB ILE A 256 53, .470 91 .323 19, .902 1. .00 27. .13 C

ATOM 2263 CGI ILE A 256 52 .766 91 .457 18, .551 1. .00 26. .67 C

ATOM 2266 CDI ILE A 256 51 .312 91 .129 18, .640 1. .00 26. .62 C

ATOM 2270 CG2 ILE A 256 53 .112 92 .523 20, .755 1. .00 26, .83 C

ATOM 2274 C ILE A 256 55 .689 91 .449 20 .998 1. .00 27, .62 C

ATOM 2275 O ILE A 256 56 .236 92 .520 21, .248 1. .00 26. .17 O

ATOM 2276 N ARG A 257 55 .669 90 .414 21, .839 1. .00 27. .98 N

ATOM 2278 CA ARG A 257 56 .311 90 .479 23, .132 1. .00 28. .93 C

ATOM 2280 CB ARG A 257 55 .916 89 .269 23 .981 1. .00 29. .36 C

ATOM 2283 CG ARG A 257 54 .593 89 .458 24 .680 1. .00 31. .44 C

ATOM 2286 CD ARG A 257 54 .191 88 .269 25 .535 1, .00 36, .13 C

ATOM 2289 NE ARG A 257 52, .993 88 .569 26, .310 1. .00 40. .07 N

ATOM 2291 CZ ARG A 257 52 .043 87 .686 26, .618 1. .00 42. .54 C

ATOM 2292 NHl ARG A 257 52 .135 86 .421 26, .214 1. .00 42. .56 N

ATOM 2295 NH2 ARG A 257 50 .988 88 .078 27, .333 1. .00 43. .14 N ATOM 2298 C ARG A 257 57..819 90..523 22..982 1.,00 28..94 C

ATOM 2299 O ARG A 257 58. .490 91. .304 23. .642 1. ,00 28. .06 O

ATOM 2300 N LYS A 258 58. .347 89. .679 22. .110 1. ,00 29. .37 N

ATOM 2302 CA LYS A 258 59. .786 89. .617 21. .922 1. .00 30. .50 C

ATOM 2304 CB LYS A 258 60. .153 88, .471 20. .981 1. .00 31. .75 C

ATOM 2307 CG LYS A 258 61. .642 88, .205 20. .923 1. .00 35, .52 C

ATOM 2310 CD LYS A 258 61, .990 87, .236 19. .802 1. .00 41, .19 C

ATOM 2313 CE LYS A 258 63, .500 86, .933 19, .749 1. .00 44, .61 C

ATOM 2316 NZ LYS A 258 63, .818 85, .837 18, .751 1. .00 46, .86 N

ATOM 2320 C LYS A 258 60, .342 90, .931 21, .373 1. .00 29, .83 . C

ATOM 2321 O LYS A 258 61, .394 91, .371 21, .782 1. .00 29, .16 O

ATOM 2322 N LEU A 259 59. .619 91. .572 20. .462 1. .00 29. .45 N

ATOM 2324 CA LEU A 259 60. .113 92, .788 19. .839 1. .00 29. .22 C

ATOM 2326 CB LEU A 259 59. .701 92. .818 18. .359 1. .00 29. .64 C

ATOM 2329 CG LEU A 259 60, .150 91, .623 17. .515 1. .00 30. .47 C

ATOM 2331 CDI LEU A 259 59, .527 91, .690 16. .136 1. .00 31. .13 C

ATOM 2335 CD2 LEU A 259 61, .663 91, .532 17. .422 1. .00 31. .64 C

ATOM 2339 C LEU A 259 59, .566 94, .028 20. .510 1. .00 28. .65 c

ATOM 2340 O LEU A 259 59, .850 95, .139 20. .059 1. .00 28. .55 0

ATOM 2341 N TYR A 260 58, .762 93, .832 21. .559 1. .00 27. .45 N

ATOM 2343 CA TYR A 260 58, .097 94, .926 22, .267 1. .00 27. .18 C

ATOM 2345 CB TYR A 260 59, .063 95, .623 23, .209 1. .00 28, .14 C

ATOM 2348 CG TYR A 260 58, .424 96, .569 24, .187 1. .00 29, .37 C

ATOM 2349 CDI TYR A 260 57, .110 96, .430 24, .576 1. .00 32, .26 C

ATOM 2351 CEl TYR A 260 56, .541 97, .300 25, .513 1. .00 37, .80 C

ATOM 2353 CZ TYR A 260 57, .288 98. .326 26. .031 1. ,00 41. .90 c

ATOM 2354 OH TYR A 260 56, .742 99. .202 26. .946 1. ,00 47. .92 0

ATOM 2356 CE2 TYR A 260 58, .607 98, .494 25. .636 1. .00 41. .28 c

ATOM 2358 CD2 TYR A 260 59, .154 97, .608 24. .712 1. .00 36. .87 c

ATOM 2360 C TYR A 260 57, .526 95, .947 21. .305 1. .00 26. .19 c

ATOM 2361 O TYR A 260 57, .811 97, .131 21. .410 1. .00 25. .23 0

ATOM 2362 N GLU A 261 56, .712 95, .464 20. .376 1. .00 26. .11 N

ATOM 2364 CA GLU A 261 56, .086 96, .307 19, .376 1. .00 25. .51 C

ATOM 2366 CB GLU A 261 57, .110 96, .753 18, .332 1. .00 25. .36 c

ATOM 2369 CG GLU A 261 56, .569 97, .776 17, .339 1. .00 25. .30 c

ATOM 2372 CD GLU A 261 57, .523 98, .058 16, .182 1. .00 27. .45 c

ATOM 2373 OEl GLU A 261 58, .572 97, .390 16, .109 1. .00 26. .46 0

ATOM 2374 OE2 GLU A 261 57 .227 98, .952 15, .339 1. .00 24. .74 0

ATOM 2375 C GLU A 261 55 .016 95 .535 18, .642 1. .00 25, .47 c

ATOM 2376 O GLU A 261 55, .193 94, .369 18. .315 1. .00 25. .24 0

ATOM 2377 N ILE A 262 53, .916 96, .201 18. .347 1. .00 25. .28 N

ATOM 2379 CA ILE A 262 52, .905 95, .612 17. .481 1. .00 25. .15 c

ATOM 2381 CB ILE A 262 51, .580 95, .422 18, .228 1. .00 25. .40 c

ATOM 2383 CGI ILE A 262 50, .617 94, .569 17, .406 1. .00 26. .03 c

ATOM 2386 CDI ILE A 262 49, .348 94, .205 18, .185 1. .00 27. .11 c

ATOM 2390 CG2 ILE A 262 50, .962 96, .753 18, .607 1. .00 25. .79 c

ATOM 2394 C ILE A 262 52, .754 96, .522 16, .267 1. .00 25. .09 c

ATOM 2395 O ILE A 262 52, .863 97, .744 16, .385 1. .00 23. .95 0

ATOM 2396 N VAL A 263 52, .538 95, .914 15, .102 1. .00 25. .24 N

ATOM 2398 CA VAL A 263 52, .334 96, .633 13, .862 1. .00 25, .67 c

ATOM 2400 CB VAL A 263 53, .318 96, .181 12, .789 1. .00 25, .70 c

ATOM 2402 CGI VAL A 263 53, .094 96, .974 11, .522 1. .00 26. .27 c

ATOM 2406 CG2 VAL A 263 54, .744 96, .326 13, .277 1. .00 26. .78 c

ATOM 2410 C VAL A 263 50, .907 96. .353 13. .391 1. .00 26. .12 c

ATOM 2411 O VAL A 263 50. .526 95. .178 13. .193 1. .00 26. .59 0

ATOM 2412 N LEU A 264 50. .132 97. .424 13. .243 1. .00 25. .78 N

ATOM 2414 CA LEU A 264 48. .732 97. .368 12. .861 1. .00 26. .88 C ATOM 2416 CB LEU A 264 47.900 98.,345 13.,712 1.00 26..98 C

ATOM 2419 CG LEU A 264 46. 392 98. ,373 13. ,449 1. ,00 28. .04 C

ATOM 2421 CDI LEU A 264 45. ,770 97. .037 13. ,797 1. ,00 28. .85 C

ATOM 2425 CD2 LEU A 264 45. 717 99. .456 14. ,274 1. ,00 29. .81 C

ATOM 2429 C LEU A 264 48. 610 97. .730 11. .404 1. ,00 27. .49 C

ATOM 2430 O LEU A 264 49. .074 98. .801 10. .969 1. .00 26. .44 0

ATOM 2431 N LEU A 265 48. .002 96. .827 10. .640 1. .00 27. .86 N

ATOM 2433 CA LEU A 265 47. .769 97. .041 9. .235 1. .00 29. .02 C

ATOM 2435 CB LEU A 265 48. ,304 95. .888 8. .401 1. .00 29. .24 c

ATOM 2438 CG LEU A 265 49. ,726 95. .424 8. .697 1. .00 30. .15 c

ATOM 2440 CDI LEU A 265 50. .042 94. .226 7. .842 1. .00 30. .59 c

ATOM 2444 CD2 LEU A 265 50. .701 96. .538 8. .418 1. .00 30. .64 c

ATOM 2448 C LEU A 265 46. .274 97. .169 9. .016 1. ,00 30. .06 c

ATOM 2449 O LEU A 265 45. .489 96. .911 9. .917 1. .00 30. .56 0

ATOM 2450 N GLU A 266 45. .883 97. .555 7. .808 1. .00 31. .48 N

ATOM 2452 CA GLU A 266 44. .470 97. .784 7. .510 1. .00 33. .08 C

ATOM 2454 CB GLU A 266 44. .303 98. .726 6. .324 1. .00 33. .36 c

ATOM 2457 CG GLU A 266 44. .754 100. .137 6. .658 1. .00 37. .12 c

ATOM 2460 CD GLU A 266 44. .051 101. .199 5. .842 1. .00 38. .68 c

ATOM 2461 OEl GLU A 266 42. .925 101. .587 6. .224 1. .00 43. .34 o

ATOM 2462 OE2 GLU A 266 44. .626 101. .646 4. .835 1. .00 39. .64 0

ATOM 2463 C GLU A 266 43. .657 96. .519 7. .278 1. .00 32. .97 c

ATOM 2464 0 GLU A 266 42. .546 96 . .429 7. .783 1. .00 33. .22 0

ATOM 2465 N GLY A 267 44. .200 95. .556 6. .533 1. .00 33, .35 N

ATOM 2467 CA GLY A 267 43. .459 94, .328 6. .224 1. .00 33. .48 C

ATOM 2470 C GLY A 267 44. .195 93, .019 6. .486 1. .00 33, .31 c

ATOM 2471 O GLY A 267 45. .430 92, .944 6, .365 1. .00 33, .22 0

ATOM 2472 N PHE A 268 43, .437 91, .966 6, .803 1. .00 32, .91 N

ATOM 2474 CA PHE A 268 44, .045 90, .685 7, .140 1. .00 32, .57 c

ATOM 2476 CB PHE A 268 43, .011 89, .650 7, .612 1. .00 32, .49 C

ATOM 2479 CG PHE A 268 42, .204 89, .006 6, .508 1. .00 31, .59 C

ATOM 2480 CDI PHE A 268 42, .728 87, .972 5, .757 1. .00 32, .22 C

ATOM 2482 CEl PHE A 268 41, .962 87, .340 4, .758 1. .00 31, .52 C

ATOM 2484 CZ PHE A 268 40, .678 87, .764 4, .513 1. .00 30, .87 C

ATOM 2486 CE2 PHE A 268 40, .134 88, .787 5, .266 1. .00 32, .21 c

ATOM 2488 CD2 PHE A 268 40, .903 89, .407 6, .267 1. .00 32, .32 c

ATOM 2490 C PHE A 268 44, .924 90 .158 6, .012 1. .00 32, .72 c

ATOM 2491 O PHE A 268 45 .877 89 .429 6, .254 1. .00 32, .35 o

ATOM 2492 N MSE A 269 44 .616 90 .530 4, .782 1. .00 33, .30 N

ATOM 2494 CA MSE A 269 45 .410 90 .059 3, .662 1. .00 33, .94 C

ATOM 2496 CB MSE A 269 44 .734 90 .374 2 .335 1. .00 34, .75 C

ATOM 2499 CG MSE A 269 45 .554 89 .946 1 .127 1. .00 37 .30 C

ATOM 2502 SE MSE A 269 45 .812 87 .970 1 .067 1. .00 48 .62 SΞ

ATOM 2503 CE MSE A 269 43 .912 87 .556 1 .448 1. .00 35 .42 C

ATOM 2507 C MSE A 269 46 .792 90 .699 3 .735 1. .00 33 .72 C

ATOM 2508 O MSE A 269 47 .786 90 .087 3 .371 1. .00 34 .03 O

ATOM 2509 N ASP A 270 46 .867 91 .936 4 .211 1, .00 33 .43 N

ATOM 2511 CA ASP A 270 48 .170 92 .578 4 .325 1, .00 32 .84 C

ATOM 2513 CB ASP A 270 48 .029 94 .063 4 .615 1, .00 32 .83 C

ATOM 2516 CG ASP A 270 47 .326 94 .808 3 .484 1, .00 34 .50 C

ATOM 2517 OD1 ASP A 270 47 .695 94 .606 2 .286 1. .00 32 .93 O

ATOM 2518 OD2 ASP A 270 46 .393 95 .603 3 .725 1, .00 36 .27 O

ATOM 2519 C ASP A 270 48 .965 91 .875 5 .421 1, .00 31 .51 C

ATOM 2520 O ASP A 270 50 .180 91 .739 5 .319 1, .00 31 .52 O

ATOM 2521 N VAL A 271 48 .261 91 .432 6 .456 1, .00 30 .34 N

ATOM 2523 CA VAL A 271 48 .883 90 .717 7 .571 1, .00 29 .63 C

ATOM 2525 CB VAL A 271 47 .904 90 .465 8 .701 1. .00 29 .32 C ATOM 2527 CGI VAL A 271 48..507 89..529 9..749 1..00 28..93 C

ATOM 2531 CG2 VAL A 271 47. .497 91. .787 9. .359 1. .00 28. .67 C

ATOM 2535 C VAL A 271 49. .440 89. .408 7. .089 1. .00 29. .77 C

ATOM 2536 O VAL A 271 50. .572 89. .062 7. .399 1. .00 29. .51 O

ATOM 2537 N ILE A 272 48. .644 88. .676 6. .312 1. .00 29. .94 N

ATOM 2539 CA ILE A 272 49. .097 87. .392 5. .794 1. .00 30. .26 C

ATOM 2541 CB ILE A 272 48. .035 86. .740 4. .895 1. .00 30. .01 C

ATOM 2543 CGI ILE A 272 46. .814 86. .341 5. .722 1. .00 30. .48 C

ATOM 2546 CDI ILE A 272 45. .683 85. .688 4. .892 1. .00 31. .34 C

ATOM 2550 CG2 ILE A 272 48. .631 85. .526 4. .218 1. .00 30. .36 C

ATOM 2554 C ILE A 272 50. .385 87. .585 5. .018 1. .00 30. .77 c

ATOM 2555 O ILE A 272 51. .368 86. .887 5. .237 1. .00 30. .66 O

ATOM 2556 N LYS A 273 50. .387 88. .573 4. .140 1. .00 31. .54 N

ATOM 2558 CA LYS A 273 51. .535 88. .821 3. .277 1. .00 32. .54 C

ATOM 2560 CB LYS A 273 51. .117 89. .765 2. .165 1. .00 33. .25 C

ATOM 2563 CG LYS A 273 50. .073 89. .133 1. .265 1. .00 36. .04 C

ATOM 2566 CD LYS A 273 50. .650 88. .775 -0. .090 1. .00 40. .85 C

ATOM 2569 CE LYS A 273 49. .742 87. .872 -0. .884 1. .00 41. .35 C

ATOM 2572 NZ LYS A 273 49. .976 88. .054 -2. .343 1. .00 44. .42 N

ATOM 2576 C LYS A 273 52. .765 89. .362 3. .998 1. .00 32. .44 C

ATOM 2577 O LYS A 273 53. .894 89. .003 3. .662 1. .00 32. .06 O

ATOM 2578 N SER A 274 52. .543 90. .229 4. .982 1. .00 32. .20 N

ATOM 2580 CA SER A 274 53. .632 90. .782 5, .778 1. .00 32. .25 C

ATOM 2582 CB SER A 274 53. .087 91. .889 6. .677 1. .00 31. .94 C

ATOM 2585 OG SER A 274 52. .673 93. .000 5. .887 1. .00 34. .52 0

ATOM 2587 C SER A 274 54. .305 89. .683 6, .628 1. .00 31. .94 c

ATOM 2588 O SER A 274 55. .532 89. .607 6, .703 1. .00 31. .03 0

ATOM 2589 N ASP A 275 53. .481 88, .869 7, .277 1. .00 32. .20 N

ATOM 2591 CA ASP A 275 53. .937 87, .729 8, .098 1. .00 33. .41 C

ATOM 2593 CB ASP A 275 52. .698 86, .967 8, .593 1. .00 33. .33 C

ATOM 2596 CG ASP A 275 53. .028 85, .781 9, .469 1. .00 35. .92 C

ATOM 2597 OD1 ASP A 275 53. .802 84, .909 9, .028 1. .00 37. .40 O

ATOM 2598 OD2 ASP A 275 52. .528 85, .629 10, .612 1. .00 38. .17 O

ATOM 2599 C ASP A 275 54. .835 86, .826 7, .264 1. .00 34. .15 C

ATOM 2600 0 ASP A 275 55. .939 86, .458 7, .668 1. .00 34. .46 0

ATOM 2601 N THR A 276 54. .354 86, .505 6, .074 1. .00 34. .93 N

ATOM 2603 CA THR A 276 55, .076 85, .696 5, .109 1. .00 36. .19 C

ATOM 2605 CB THR A 276 54. .236 85, .630 3, .830 1. .00 36. .53 C

ATOM 2607 OGl THR A 276 53. .197 84, .677 4, .020 1. .00 39. .43 0

ATOM 2609 CG2 THR A 276 55. .020 85, .107 2, .655 1. .00 38. .36 c

ATOM 2613 C THR A 276 56, .422 86, .265 4, .763 1. .00 36. .03 c

ATOM 2614 O THR A 276 57, .400 85, .528 4, .664 1. .00 35. .68 0

ATOM 2615 N ALA A 277 56, .463 87, .584 4, .559 1. .00 36. .18 N

ATOM 2617 CA ALA A 277 57, .694 88, .274 4, .202 1. .00 36. .06 C

ATOM 2619 CB ALA A 277 57, .377 89, .668 3, .652 1. .00 36. .25 C

ATOM 2623 C ALA A 277 58, .679 88, .364^' 5, .379 1. .00 35. .96 C

ATOM 2624 O ALA A 277 59, .843 88, .686 5, .184 1. .00 36. .68 O

ATOM 2625 N GLY A 278 58, .227 88, .075 6, .596 1. .00 35. .65 N

ATOM 2627 CA GLY A 278 59, .121 88, .092 7, .746 1. .00 34. .68 C

ATOM 2630 C GLY A 278 58, .778 89, .079 8, .853 1. .00 34. .08 C

ATOM 2631 O GLY A 278 59, .483 89, .144 9, .847 1. .00 33. .75 0

ATOM 2632 N LEU A 279 57, .717 89, .860 8, .682 1. .00 33. .48 N

ATOM 2634 CA LEU A 279 57, .277 90, .795 9, .714 1. .00 32. .69 C

ATOM 2636 CB LEU A 279 56, .804 92, .094 9, .068 1. .00 33. .08 C

ATOM 2639 CG LEU A 279 56. .476 93, .225 10, .038 1. .00 32. .45 C

ATOM 2641 CDI LEU A 279 57. .723 93, .662 10, .748 1. .00 34. .34 C

ATOM 2645 CD2 LEU A 279 55, .817 94, .384 9, .312 1. .00 32. .56 C ATOM 2649 C LEU A 279 56..155 90..087 10..445 1.00 32..51 C

ATOM 2650 O LEU A 279 55. .017 90. .051 9. .965 1. ,00 32. .31 0

ATOM 2651 N LYS A 280 56. .473 89. .503 11. .599 1. ,00 31. .64 N

ATOM 2653 CA LYS A 280 55. .536 88. .608 12. .269 1. 00 31. .34 C

ATOM 2655 CB LYS A 280 56. .312 87. .454 12. .904 1. 00 32. .39 c

ATOM 2658 CG LYS A 280 57. .216 86. .710 11. .932 1. ,00 35. .35 c

ATOM 2661 CD LYS A 280 56. .438 85. .688 11. .150 1. .00 38. .71 c

ATOM 2664 CE LYS A 280 57. .333 84. .844 10. .252 1. ,00 40. .31 c

ATOM 2667 NZ LYS A 280 56. .513 84. .145 9. .217 1. .00 39. .52 N

ATOM 2671 C LYS A 280 54. .657 89. .228 13. .334 1. .00 29. .89 c

ATOM 2672 O LYS A 280 53. .643 88, .647 13. .702 1. .00 28. .80 0

ATOM 2673 N ASN A 281 55. .041 90. .397 13. .830 1. .00 27. .99 N

ATOM 2675 CA ASN A 281 54. .326 91. .035 14. .922 1. .00 26. .84 C

ATOM 2677 CB ASN A 281 55. .308 91. .793 15. .841 1. ,00 26. .42 C

ATOM 2680 CG ASN A 281 56. .222 92, .781 15. .093 1. .00 25. .92 C

ATOM 2681 OD1 ASN A 281 56. .666 92, .518 13. .990 1. .00 27. .65 O

ATOM 2682 ND2 ASN A 281 56. .522 93, .913 15. .726 1. .00 22. .07 N

ATOM 2685 C ASN A 281 53. .255 91, .945 14. .355 1. .00 26. .73 C

ATOM 2686 O ASN A 281 53. .241 93, .143 14, .640 1. .00 26. .18 O

ATOM 2687 N VAL A 282 52. .394 91. .368 13. .519 1. .00 26. .43 N

ATOM 2689 CA VAL A 282 51. .377 92. .107 12. .779 1. .00 27. .05 C

ATOM 2691 CB VAL A 282 51. .585 91, .999 11. .261 1. .00 27. .13 C

ATOM 2693 CGI VAL A 282 52. .648 92, .930 10. .811 1. .00 28. .02 C

ATOM 2697 CG2 VAL A 282 51. .946 90, .570 10, .827 1. .00 28. .24 C

ATOM 2701 C VAL A 282 49, .977 91, .608 13, .063 1. .00 27. .85 C

ATOM 2702 O VAL A 282 49, .759 90, .400 13, .214 1. .00 27. .77 0

ATOM 2703 N VAL A 283 49, .038 92, .542 13, .150 1. .00 28. .12 N

ATOM 2705 CA VAL A 283 47, .627 92 .220 13, .305 1. .00 28. .76 C

ATOM 2707 CB VAL A 283 47, .147 92, .322 14, .756 1. .00 28. .50 C

ATOM 2709 CGI VAL A 283 47, .911 91, .374 15, .657 1. .00 29. .53 C

ATOM 2713 CG2 VAL A 283 47, .269 93, .760 15, .267 1. .00 29. .14 C

ATOM 2717 C VAL A 283 46, .840 93, .217 12, .464 1. .00 29. .17 c

ATOM 2718 O VAL A 283 47, .405 94, .167 11, .899 1. .00 28. .37 0

ATOM 2719 N ALA A 284 45, .535 92, .999 12, .381 1. .00 29. .80 N

ATOM 2721 CA ALA A 284 44, .616 93 .900 11, .699 1. .00 30. .48 C

ATOM 2723 CB ALA A 284 44 .608 93 .651 10 .225 1. .00 30. .25 C

ATOM 2727 C ALA A 284 43, .224 93, .657 12, .253 1. .00 31. .82 C

ATOM 2728 0 ALA A 284 42, .929 92, .552 12, .725 1. .00 30. .85 0

ATOM 2729 N THR A 285 42, .373 94, .675 12, .217 1. .00 33. .32 N

ATOM 2731 CA THR A 285 40, .972 94, .451 12, .557 1. .00 35. .21 c

ATOM 2733 CB THR A 285 40, .287 95, .710 13, .048 1. .00 35. .05 c

ATOM 2735 OGl THR A 285 40 .254 96 .676 11 .988 1. .00 34. .70 0

ATOM 2737 CG2 THR A 285 41 .042 96 .352 14 .173 1. .00 34, .93 c

ATOM 2741 C THR A 285 40 .264 93 .966 11 .302 1. .00 36, .82 c

ATOM 2742 O THR A 285 40 .856 93 .933 10 .223 1. .00 36, .91 0

ATOM 2743 N MSE A 286 38, .991 93, .606 11, .441 1. .00 39. .31 N

ATOM 2745 CA MSE A 286 38, .186 93, .106 10 .326 1. .00 41. .11 c

ATOM 2747 CB MSE A 286 37, .029 92, .263 10 .872 1. .00 41. .23 c

ATOM 2750 CG MSE A 286 37 .496 91 .014 11 .608 1. .00 41. .72 c

ATOM 2753 SE MSE A 286 38 .820 90 .037 10 .547 1. .00 44. .18 SE

ATOM 2754 CE MSE A 286 37 .793 89 .921 8 .920 1. .00 44, .17 C

ATOM 2758 C MSE A 286 37 .620 94 .241 9 .480 1. .00 42, .77 c

ATOM 2759 O MSE A 286 36 .415 94 .329 9 .279 1. .00 43, .39 0

ATOM 2760 N GLY A 287 38, .489 95, .107 8, .981 1. .00 44. .69 N

ATOM 2762 CA GLY A 287 38, .049 96, .242 8, .189 1. .00 46. .15 c

ATOM 2765 C GLY A 287 37, .192 97, .176 9, .025 1. .00 47. .36 c

ATOM 2766 O GLY A 287 36, .456 98, .009 8, .503 1. .00 48. .05 0 ATOM 2767 N THR A 288 37..311 97..051 10..337 1..00 48..52 N

ATOM 2769 CA THR A 288 36. .486 97. .821 11. .247 1. .00 49. .47 C

ATOM 2771 CB THR A 288 36. .108 96. .956 12. .477 1. .00 49. .44 C

ATOM 2773 OGl THR A 288 35. .655 97. .797 13. .544 1. .00 49. .96 O

ATOM 2775 CG2 THR A 288 37. .303 96. .241 13. .059 1. .00 48. .98 C

ATOM 2779 C THR A 288 37. .136 99. .138 11. .656 1. .00 50. .57 C

ATOM 2780 O THR A 288 37, .346 100. .027 10, .832 1. .00 51. .99 O

ATOM 2781 N GLN A 289 37, .449 99. .272 12, .931 1. .00 51. .20 N

ATOM 2783 CA GLN A 289 38, .003 100. .496 13, .463 1. .00 51. .43 C

ATOM 2785 CB GLN A 289 36. .926 101. .580 13, .533 1. .00 51, .97 C

ATOM 2788 CG GLN A 289 37, .345 102. .847 14. .250 1. .00 53. .74 C

ATOM 2791 CD GLN A 289 36, .789 104. .117 13. .603 1. .00 57. .16 C

ATOM 2792 OEl GLN A 289 36. .690 105. .161 14. .258 1. .00 59, .10 O

ATOM 2793 NE2 GLN A 289 36, .436 104. .033 12. .319 1. .00 58. .38 N

ATOM 2796 C GLN A 289 38, .488 100. .093 14. .837 1. .00 50. .81 C

ATOM 2797 O GLN A 289 37. .705 99. .608 15. .651 1. .00 50. .81 O

ATOM 2798 N LEU A 290 39, .780 100, .251 15. .082 1. .00 50, .11 N

ATOM 2800 CA LEU A 290 40, .369 99, .824 16, .344 1. .00 49, .79 C

ATOM 2802 CB LEU A 290 41, .812 100. .322 16. .467 1. .00 49, .59 C

ATOM 2805 CG LEU A 290 42, .636 99. .521 17. .474 1. .00 48. .74 C

ATOM 2807 CDI LEU A 290 42, .828 98. .098 17. .003 1. .00 48, .04 C

ATOM 2811 CD2 LEU A 290 43, .990 100. .175 17. .707 1. .00 49, .10 C

ATOM 2815 C LEU A 290 39, .523 100. .313 17. .516 1. .00 50, .08 C

ATOM 2816 O LEU A 290 39, .283 101. .517 17. .666 1. .00 49, .43 0

ATOM 2817 N SER A 291 39, .075 99. .370 18. .341 1. .00 50. .37 N

ATOM 2819 CA SER A 291 38, .187 99. .667 19. .462 1. .00 50. .77 C

ATOM 2821 CB SER A 291 37, .191 98. .524 19. .654 1. .00 50. .73 C

ATOM 2824 OG SER A 291 37 .853 97, .391 20, .183 1. .00 48, .59 O

ATOM 2826 C SER A 291 38 .953 99, .842 20, .755 1. .00 51, .75 C

ATOM 2827 O SER A 291 40, .106 99, .439 20, .863 1. .00 51, .59 O

ATOM 2828 N ASP A 292 38, .284 100. .405 21, .752 1. .00 52, .89 N

ATOM 2830 CA ASP A 292 38, .907 100. .658 23, .048 1. .00 54. .07 C

ATOM 2832 CB ASP A 292 37, .943 101. .410 23. .968 1. .00 54, .33 C

ATOM 2835 CG ASP A 292 38, .108 102. .912 23. .876 1. .00 55. .40 C

ATOM 2836 OD1 ASP A 292 39, .266 103. .385 23. .771 1. .00 57. .27 0

ATOM 2837 OD2 ASP A 292 37, .142 103. .705 23. .905 1. .00 57. .05 0

ATOM 2838 C ASP A 292 39, .422 99. .403 23. .750 1. .00 54. .63 c

ATOM 2839 O ASP A 292 40 .472 99, .446 24, .394 1. .00 54, .79 0

ATOM 2840 N GLU A 293 38 .694 98, .296 23, .636 1. .00 55, .33 N

ATOM 2842 CA GLU A 293 39 .106 97, .058 24, .304 1. .00 56, .02 C

ATOM 2844 CB GLU A 293 37, .913 96, .133 24, .569 1. .00 56, .38 c

ATOM 2847 CG GLU A 293 36, .996 96 . .637 25, .691 1. .00 58, .40 c

ATOM 2850 CD GLU A 293 37, .594 96 . .515 27, .099 1. .00 61, .35 c

ATOM 2851 OEl GLU A 293 36, .807 96, .420 28, .071 1. .00 63, .00 o

ATOM 2852 OE2 GLU A 293 38, .840 96, .526 27, .254 1. .00 63, .28 0

ATOM 2853 C GLU A 293 40, .223 96, .388 23. .498 1. .00 55. .76 c

ATOM 2854 O GLU A 293 41, .092 95. .724 24. .064 1. .00 55, .75 0

ATOM 2855 N HIS A 294 40. .193 96. .572 22. .181 1. .00 55. .46 N

ATOM 2857 CA HIS A 294 41, .323 96, .198 21, .341 1. .00 55, .32 C

ATOM 2859 CB HIS A 294 41, .098 96, .630 19, .890 1. .00 55, .21 C

ATOM 2862 CG HIS A 294 40, .317 95, .652 19, .070 1. .00 55, .47 C

ATOM 2863 ND1 HIS A 294 39, .854 95, .952 17, .806 1. .00 55, .00 N

ATOM 2865 CEl HIS A 294 39, .217 94. .906 17, .312 1. .00 55, .08 C

ATOM 2867 NE2 HIS A 294 39. .244 93. .939 18. .212 1. .00 55. .80 N

ATOM 2869 CD2 HIS A 294 39. .928 94. .379 19. .321 1. .00 55. .76 C

ATOM 2871 C HIS A 294 42. .531 96. .961 21. .896 1. .00 55. .19 C

ATOM 2872 O HIS A 294 43. .577 96. .382 22. .180 1. .00 55. .00 O ATOM 2873 N ILE A 295 42,.346 98..266 22..080 1..00 55,.19 N

ATOM 2875 CA ILE A 295 43, .399 99. .163 22. .553 1. .00 55, .45 C

ATOM 2877 CB ILE A 295 42, .945 100. .631 22. .405 1. .00 55, .21 C

ATOM 2879 CGI ILE A 295 42, .854 101. .011 20. .928 1. .00 54, .99 C

ATOM 2882 CDI ILE A 295 42, .405 102. .427 20. .689 1. .00 54, .56 C

ATOM 2886 CG2 ILE A 295 43, .897 101. .565 23. .113 1. .00 55, .61 C

ATOM 2890 C ILE A 295 43, .785 98. .885 24. .000 1. .00 55, .71 C

ATOM 2891 O ILE A 295 44, .749 99. .447 24. .499 1. .00 55, .95 O

ATOM 2892 N THR A 296 43, .036 98. .022 24. .673 1. .00 55. .92 N

ATOM 2894 CA THR A 296 43, .309 97. .710 26. .068 1. .00 56. .03 C

ATOM 2896 CB THR A 296 41, .993 97. .629 26. .868 1. .00 56, .37 C

ATOM 2898 OGl THR A 296 41, .445 98. .945 27. .026 1. .00 56, .97 o

ATOM 2900 CG2 THR A 296 42, .237 97. .166 28. .294 1. .00 56, .48 c

ATOM 2904 C THR A 296 44, .064 96. .400 26. .148 1. .00 55. .68 c

ATOM 2905 O THR A 296 44, .911 96. .210 27. .030 1. .00 56. .47 0

ATOM 2906 N PHE A 297 43, .749 95. .490 25. .240 1. .00 54. .80 N

ATOM 2908 CA PHE A 297 44, .488 94. .249 25. .155 1. .00 54. .50 C

ATOM 2910 CB PHE A 297 43, .858 93. .309 24. .139 1. .00 54. .62 C

ATOM 2913 CG PHE A 297 44, .425 91. .920 24. .182 1. .00 57. .23 C

ATOM 2914 CDI PHE A 297 43, .949 90. .992 25. .098 1. .00 58. .79 c

ATOM 2916 CEl PHE A 297 44, .464 89. .714 25. .144 1. .00 59. .98 c

ATOM 2918 CZ PHE A 297 45, .481 89. .345 24. .283 1. .00 60. .33 c

ATOM 2920 CE2 PHE A 297 45, .978 90. .260 23. .380 1. .00 59. .76 c

ATOM 2922 CD2 PHE A 297 45, .447 91. .543 23. .326 1. .00 58. .90 c

ATOM 2924 C PHE A 297 45, .919 94. .561 24. .720 1. .00 53. .29 c

ATOM 2925 O PHE A 297 46 .882 94. .107 25. .331 1. .00 53. .05 0

ATOM 2926 N ILE A 298 46, .036 95. .355 23. .659 1. .00 51. .86 N

ATOM 2928 CA ILE A 298 47, .325 95. .701 23. .075 1. .00 50. .40 C

ATOM 2930 CB ILE A 298 47 .111 96. .683 21. .897 1. .00 50. .07 C

ATOM 2932 CGI ILE A 298 46, .375 95. .963 20. .758 1. .00 48. .77 c

ATOM 2935 CDI ILE A 298 45, .954 96. .849 19. .596 1. .00 47. .88 c

ATOM 2939 CG2 ILE A 298 48, .444 97. .225 21. .395 1. .00 49. .36 c

ATOM 2943 C ILE A 298 48, .291 96. .248 24. .128 1. .00 50. .19 c

ATOM 2944 O ILE A 298 49 .450 95. .841 24. .181 1. .00 49. .27 0

ATOM 2945 N ARG A 299 47, .803 97. .144 24. .981 1. .00 50. .27 N

ATOM 2947 CA ARG A 299 48 .625 97. .737 26. .033 1. .00 50. .62 c

ATOM 2949 CB ARG A 299 47, .777 98. .597 26. .966 1. .00 51. .38 c

ATOM 2952 CG ARG A 299 47, .448 99. .964 26. .425 1. .00 53. .67 c

ATOM 2955 CD ARG A 299 47 .048 100. .949 27. .521 1. .00 57. .17 c

ATOM 2958 NE ARG A 299 45, .806 101. .646 27. .197 1. .00 59, .79 N

ATOM 2960 CZ ARG A 299 44 .963 102. .136 28. .095 1. .00 61. .66 c

ATOM 2961 NHl ARG A 299 45 .222 102. .019 29. .397 1. .00 63. .20 N

ATOM 2964 NH2 ARG A 299 43, .855 102. .742 27. .690 1. .00 61^'. .52 N

ATOM 2967 C ARG A 299 49, .342 96. .723 26. .899 1. .00 49. .64 C

ATOM 2968 0 ARG A 299 50, .478 96. .948 27. .291 1. .00 50. .35 O

ATOM 2969 N LYS A 300 48, .668 95. .628 27. .226 1. .00 48. .38 N

ATOM 2971 CA LYS A 300 49 .239 94. .614 28. .105 1. .00 47. .35 C

ATOM 2973 CB LYS A 300 48, .161 93. .606 28. .548 1. .00 47. .79 C

ATOM 2976 CG LYS A 300 47, .251 94. .125 29. .669 1. .00 48. .98 C

ATOM 2979 CD LYS A 300 47, .891 94. .012 31. .054 1. .00 49. .85 C

ATOM 2982 CE LYS A 300 46, .879 94. .315 32. .170 1. .00 50. .51 c

ATOM 2985 NZ LYS A 300 47, .452 94. .165 33. .533 1. .00 49. .21 N

ATOM 2989 C LYS A 300 50, .387 93. .885 27. .419 1. .00 45. .48 C

ATOM 2990 O LYS A 300 51, .312 93. .397 28. .076 1. .00 45. .76 o

ATOM 2991 N LEU A 301 50, .327 93. .801 26. .096 1. .00 42. .63 N

ATOM 2993 CA LEU A 301 51, .403 93. .161 25. .363 1. .00 40. ,50 C

ATOM 2995 CB LEU A 301 50, .933 92. .701 23. .994 1. ,00 40. .63 C ATOM 2998 CG LEU A 301 49.915 91.,577 23..950 1.,00 40..88 C

ATOM 3000 CDI LEU A 301 49. .691 91. .178 22. .513 1. ,00 40. .62 C

ATOM 3004 CD2 LEU A 301 50. .377 90. ,382 24. .795 1. ,00 40. .40 C

ATOM 3008 C LEU A 301 52. .559 94. .115 25. .181 1. ,00 38. .25 C

ATOM 3009 O LEU A 301 53. .715 93. .746 25. .356 1. ,00 37. .06 O

ATOM 3010 N THR A 302 52. .255 95. .353 24. .798 1. .00 36. .36 N

ATOM 3012 CA THR A 302 53. .322 96. .293 24. .520 1. .00 34. .43 C

ATOM 3014 CB THR A 302 53. .894 96. .008 23. .120 1. .00 34. .49 C

ATOM 3016 OGl THR A 302 54. .923 96. .960 22. .800 1. .00 33. .18 O

ATOM 3018 CG2 THR A 302 52. .845 96. .223 22. .046 1. .00 33. .34 C

ATOM 3022 C THR A 302 52. .873 97. .743 24. .578 1. .00 33. .42 C

ATOM 3023 O THR A 302 51. .698 98. .043 24. .434 1. .00 33. .21 0

ATOM 3024 N SER A 303 53. .831 98. .637 24. .767 1. ,00 31. .90 N

ATOM 3026 CA SER A 303 53. .554 100. .060 24. .792 1. .00 31. .60 C

ATOM 3028 CB SER A 303 54. .443 100. .754 25. .824 1. .00 31. .67 C

ATOM 3031 OG SER A 303 53. .948 100. .524 27. .124 1. .00 34. .25 O

ATOM 3033 C SER A 303 53. .802 100. .697 23. .422 1. .00 30. .14 c

ATOM 3034 O SER A 303 53. .476 101. .856 23. .223 1. .00 30. .03 0

ATOM 3035 N ASN A 304 54. .371 99. .933 22. .497 1. .00 28. .17 N

ATOM 3037 CA ASN A 304 54. .764 100. .446 21. .188 1. .00 27. .30 C

ATOM 3039 CB ASN A 304 56. .240 100. .104 20. .931 1. .00 27. .07 C

ATOM 3042 CG ASN A 304 57. .164 100. .583 22. .056 1. .00 27. .51 c

ATOM 3043 OD1 ASN A 304 57. .947 99. .812 22. .613 1. .00 30. .97 0

ATOM 3044 ND2 ASN A 304 57. .076 101. .838 22. .379 1. .00 23. .05 N

ATOM 3047 C ASN A 304 53. .909 99. .890 20. .045 1. .00 26. .28 C

ATOM 3048 O ASN A 304 53. .880 98. .681 19. .823 1. .00 26. .11 O

ATOM 3049 N ILE A 305 53. .202 100. .770 19. .342 1. .00 25. .05 N

ATOM 3051 CA ILE A 305 52. .379 100, .374 18. .203 1. .00 25. .40 C

ATOM 3053 CB ILE A 305 50. .881 100, .469 18, .540 1. .00 25. .26 c

ATOM 3055 CGI ILE A 305 50. .029 100, .130 17, .318 1. .00 25. .99 c

ATOM 3058 CDI ILE A 305 48. .589 99, .665 17, .719 1. .00 26. .29 c

ATOM 3062 CG2 ILE A 305 50, .538 101, .835 19, .098 1. .00 27, .09 c

ATOM 3066 C ILE A 305 52, .720 101, .211 16, .968 1. .00 24, .71 c

ATOM 3067 O ILE A 305 52, .799 102, .427 17, .030 1. .00 24, .37 o

ATOM 3068 N THR A 306 52, .959 100, .529 15, .861 1. .00 23, .93 N

ATOM 3070 CA THR A 306 53, .289 101, .158 14, .614 1. .00 23, .83 C

ATOM 3072 CB THR A 306 54, .536 100, .534 14, .060 1, .00 24, .24 C

ATOM 3074 OGl THR A 306 55, .624 100, .820 14 .930 1, .00 24, .29 0

ATOM 3076 CG2 THR A 306 54, .928 101, .146 12, .749 1, .00 25, .47 c

ATOM 3080 C THR A 306 52, .169 100 .921 13 .648 1, .00 23, .43 c

ATOM 3081 O THR A 306 51, .735 99, .770 13 .449 1, .00 23, .37 0

ATOM 3082 N LEU A 307 51 .686 102 .010 13 .065 1, .00 22 .91 N

ATOM 3084 CA LEU A 307 50 .614 101 .961 12 .077 1, .00 23 .24 C

ATOM 3086 CB LEU A 307 49 .692 103 .162 12 .221 1, .00 22 .83 c

ATOM 3089 CG LEU A 307 49 .167 103 .448 13 .623 1, .00 24 .60 c

ATOM 3091 CDI LEU A 307 48 .275 104 .668 13 .617 1, .00 26 .15 c

ATOM 3095 CD2 LEU A 307 48 .414 102 .235 14 .122 1, .00 25 .59 c

ATOM 3099 C LEU A 307 51 .202 101 .981 10 .685 1 .00 23 .74 c

ATOM 3100 O LEU A 307 52 .033 102 .838 10 .378 1 .00 24 .84 0

ATOM 3101 N MSE A 308 50 .795 101 .025 9 .860 1 .00 23 .99 N

ATOM 3103 CA MSE A 308 51 .212 100 .967 8 .480 1 .00 25 .10 C

ATOM 3105 CB MSE A 308 52 .291 99 .928 8 .229 1 .00 25 .26 C

ATOM 3108 CG MSE A 308 52 .798 99 .957 " 6 .789 1 .00 27 .65 C

ATOM 3111 SE MSE A 308 54, .361 98 .837 6 .435 1, .00 35, .23 SE

ATOM 3112 CE MSE A 308 53, .982 97, .466 7 .549 1, .00 33, .53 C

ATOM 3116 C MSE A 308 49, .957 100 .667 7 .666 1, .00 26, .30 C

ATOM 3117 O MSE A 308 49, .664 99 .515 7 .314 1, .00 25, .31 O ATOM 3118 N PHE A 309 49.208 101.723 7.,417 1.00 27.,67 N

ATOM 3120 CA PHE A 309 47. ,955 101. 636 6. .692 1. 00 29. ,23 C

ATOM 3122 CB PHE A 309 46. ,981 102. 678 7. .233 1. 00 29. ,27 C

ATOM 3125 CG PHE A 309 46. ,456 102. 375 8. ,617 1. 00 29. .36 C

ATOM 3126 CDI PHE A 309 46. ,807 101. 228 9. .295 1. ,00 31. .18 C

ATOM 3128 CEl PHE A 309 46. ,285 100. 957 10. .561 1. .00 30. .57 C

ATOM 3130 CZ PHE A 309 45. .412 101. 832 11. .149 1. .00 30. .02 C

ATOM 3132 CE2 PHE A 309 45. .061 102. 991 10. .484 1. .00 29. .80 c

ATOM 3134 CD2 PHE A 309 45. .579 103. ,254 9. .230 1. ,00 30. .14 c

ATOM 3136 C PHE A 309 48. .228 101. ,850 5. .209 1. .00 30. .44 c

ATOM 3137 O PHE A 309 49. .359 102. ,092 4. .803 1. ,00 30. .63 0

ATOM 3138 N ASP A 310 47. .209 101. .725 4. .376 1. .00 32. .51 N

ATOM 3140 CA ASP A 310 47. .435 101. .899 2. .947 1. .00 34. .14 C

ATOM 3142 CB ASP A 310 46. .179 101. .550 2. .164 1. .00 34. .93 C

ATOM 3145 CG ASP A 310 45. .855 100. .068 2. .256 1. .00 37. .17 C

ATOM 3146 OD1 ASP A 310 46. .640 99. .315 2. .898 1. .00 42. .81 O

ATOM 3147 OD2 ASP A 310 44. .853 99. .555 1. .733 1. .00 44. .28 0

ATOM 3148 C ASP A 310 47. .936 103. .305 2. .658 1. .00 34. .60 c

ATOM 3149 0 ASP A 310 47. .611 104. .253 3. .367 1. .00 34. .67 0

ATOM 3150 N GLY A 311 48. .754 103. .434 1. .627 1. .00 35. .60 N

ATOM 3152 CA GLY A 311 49. .335 104. .719 1. .277 1. .00 36. .58 c

ATOM 3155 C GLY A 311 48. .478 105. .606 0, .388 1. .00 37. .24 C

ATOM 3156 O GLY A 311 48. .992 106. .179 -0, .588 1. .00 38. .02 0

ATOM 3157 N ASP A 312 47. .189 105. .724 0, .710 1. .00 37. .27 N

ATOM 3159 CA ASP A 312 46, .302 106. .657 0, .005 1. .00 37. .25 C

ATOM 3161 CB ASP A 312 45, .251 105. .934 -0, .836 1. .00 37. .47 C

ATOM 3164 CG ASP A 312 44, .283 105. .109 -0, .011 1. .00 39. .28 C

ATOM 3165 OD1 ASP A 312 44, .367 105. .109 1, .237 1. .00 37. .50 O

ATOM 3166 OD2 ASP A 312 43, .393 104. .417 -0, .560 1. .00 42, .76 O

ATOM 3167 C ASP A 312 45, .657 107. .614 1, .012 1. .00 36, .89 C

ATOM 3168 O ASP A 312 45, .953 107. .555 2, .208 1. .00 36, .77 0

ATOM 3169 N PHE A 313 44, .780 108. .493 0, .533 1. .00 36, .23 N

ATOM 3171 CA PHE A 313 44 .184 109. .515 1, .387 1. .00 36, .08 C

ATOM 3173 CB PHE A 313 43 .275 110. .444 0 .581 1. .00 36, .44 C

ATOM 3176 CG PHE A 313 42 .605 Ill, .494 1 .418 1. .00 36, .60 C

ATOM 3177 CDI PHE A 313 43 .312 112, .604 1 .855 1. .00 38, .60 C

ATOM 3179 CEl PHE A 313 42 .702 113, .572 2 .634 1, .00 38, .88 C

ATOM 3181 CZ PHE A 313 41 .378 113, .431 2 .989 1, .00 38, .60 C

ATOM 3183 CE2 PHE A 313 40 .669 112, .323 2 .574 1, .00 38, .95 c

ATOM 3185 CD2 PHE A 313 41 .280 111, .356 1 .794 1, .00 37, .92 c

ATOM 3187 C PHE A 313 43 .399 108, .914 2 .541 1, .00 35, .35 c

ATOM 3188 O PHE A 313 43 .570 109, .318 3 .688 1, .00 35, .36 0

ATOM 3189 N ALA A 314 42 .533 107, .959 2 .237 1, .00 34, .35 N

ATOM 3191 CA ALA A 314 41 .769 107, .289 3 .273 1, .00 33, .97 c

ATOM 3193 CB ALA A 314 40 .848 106 .230 2 .675 1, .00 34 .16 C

ATOM 3197 C ALA A 314 42 .712 106, .652 4 .311 1, .00 33 .29 C

ATOM 3198 O ALA A 314 42 .413 106 .668 5 .494 1, .00 33 .85 O

ATOM 3199 N GLY A 315 43 .830 106 .079 3 .875 1, .00 32 .21 N

ATOM 3201 CA GLY A 315 44 .746 105 .433 4 .814 1 .00 31 .90 C

ATOM 3204 C GLY A 315 45 .336 106 .458 5 .776 1 .00 31 .13 C

ATOM 3205 O GLY A 315 45 .432 106 .256 6 .993 1 .00 30 .82 0

ATOM 3206 N SER A 316 45 .743 107 .572 5 .196 1 .00 30 .46 N

ATOM 3208 CA SER A 316 46 .267 108 .700 5 .936 1 .00 30 .17 C

ATOM 3210 CB SER A 316 46 .536 109 .843 4 .966 1 .00 30 .48 C

ATOM 3213 OG SER A 316 47 .505 110 .688 5 .531 1 .00 33 .23 O

ATOM 3215 C SER A 316 45 .277 109 .178 6 .997 1 .00 29 .28 c

ATOM 3216 O SER A 316 45 .634 109 .399 8 .150 1 .00 27 .20 0 ATOM 3217 N GLU A 317 44..031 109..362 6.,584 1..00 28..78 N

ATOM 3219 CA GLU A 317 42. .979 109. .810 7. .488 1. .00 28. .82 C

ATOM 3221 CB GLU A 317 41. .654 110. ,010 6. .715 1. ,00 29. .61 C

ATOM 3224 CG GLU A 317 41. .712 111. .160 5. .721 1. .00 30. .89 C

ATOM 3227 CD GLU A 317 41, .824 112. .499 6. .397 1. .00 35. .59 C

ATOM 3228 OEl GLU A 317 40. .768 113. .028 6. .821 1. ,00 40. .14 O

ATOM 3229 OE2 GLU A 317 42. .964 113. .027 6. .510 1. ,00 37. .37 O

ATOM 3230 C GLU A 317 42. .778 108. .810 8. .619 1. .00 28. .22 C

ATOM 3231 O GLU A 317 42. .624 109. .185 9. .780 1. .00 27. .30 O

ATOM 3232 N ALA A 318 42. .782 107. .527 8. .282 1. .00 27. .52 N

ATOM 3234 CA ALA A 318 42, .601 106. .488 9. .295 1. .00 27, .61 C

ATOM 3236 CB ALA A 318 42. .414 105. .136 8. .641 1. .00 27. .74 C

ATOM 3240 C ALA A 318 43, .785 106. .452 10. .254 1. .00 26. .90 c

ATOM 3241 O ALA A 318 43. .615 106. .209 11. .442 1. .00 26. .71 O

ATOM 3242 N THR A 319 44. .979 106. .692 9. .723 1. .00 26. .40 N

ATOM 3244 CA THR A 319 46, .189 106. .717 10, .522 1. .00 26. .21 c

ATOM 3246 CB THR A 319 47. .398 107. .001 9. .640 1. .00 26. .25 C

ATOM 3248 OGl THR A 319 47, .599 105. .929 8. .708 1. .00 27. .95 O

ATOM 3250 CG2 THR A 319 48, .695 107, .031 10. .465 1. .00 25. .69 C

ATOM 3254 C THR A 319 46. .097 107. .823 11. .556 1. .00 25. .81 C

ATOM 3255 O THR A 319 46, .446 107. .634 12. .715 1. .00 25. .28 0

ATOM 3256 N LEU A 320 45, .674 108, .995 11, .106 1. .00 25, .82 N

ATOM 3258 CA LEU A 320 45, .498 110. .137 11. .991 1. .00 26. .60 C

ATOM 3260 CB LEU A 320 45, .089 111. .367 11. .188 1. .00 26. .55 c

ATOM 3263 CG LEU A 320 46, .216 Ill, .907 10, .321 1. .00 27. .83 c

ATOM 3265 CDI LEU A 320 45, .693 113. .021 9, .417 1. .00 30. .30 c

ATOM 3269 CD2 LEU A 320 47, .386 112, .414 11, .182 1. .00 28. . 66 c

ATOM 3273 C LEU A 320 44, .464 109. .860 13, .075 1. .00 26, .76 c

ATOM 3274 O LEU A 320 44, .684 110. .178 14. .238 1. .00 26. .14 0

ATOM 3275 N LYS A 321 43, .342 109, .259 12, .692 1. .00 27. .31 N

ATOM 3277 CA LYS A 321 42, .267 108. .984 13, .631 1. .00 27. .87 c

ATOM 3279 CB LYS A 321 41, .017 108. .538 12, .855 1. .00 28. .76 c

ATOM 3282 CG LYS A 321 39, .781 108, .424 13, .710 1. .00 31, .59 c

ATOM 3285 CD LYS A 321 38, .504 108. .375 12, .857 1. .00 36. .46 c

ATOM 3288 CE LYS A 321 37, .251 108. .264 13, .728 1. .00 38. .86 c

ATOM 3291 NZ LYS A 321 36, .103 107, .620 13, .017 1. .00 41, .06 N

ATOM 3295 C LYS A 321 42, .677 107, .921 14, .654 1. .00 27. .22 C

ATOM 3296 O LYS A 321 42, .557 108, .125 15, .857 1. .00 27. .52 0

ATOM 3297 N THR A 322 43, .163 106, .786 14, .170 1. .00 26, .57 N

ATOM 3299 CA THR A 322 43, .583 105, .694 15, .041 1. .00 26. .08 C

ATOM 3301 CB THR A 322 43, .969 104, .488 14, .175 1. .00 26. .40 C

ATOM 3303 OGl THR A 322 42 .884 104, .174 13 .285 1. .00 26, .59 O

ATOM 3305 CG2 THR A 322 44, .144 103, .236 15, .000 1. .00 27. .43 C

ATOM 3309 C THR A 322 44, .768 106, .109 15, .910 1. .00 25. .39 C

ATOM 3310 O THR A 322 44, .809 105, .842 17, .113 1. .00 25. .06 O

ATOM 3311 N GLY A 323 45, .752 106, .754 15, .293 1. .00 24. .23 N

ATOM 3313 CA GLY A 323 46 .899 107, .215 16 .046 1. .00 24. .18 C

ATOM 3316 C GLY A 323 46, .575 108, .194 17, .170 1. .00 23. .84 C

ATOM 3317 O GLY A 323 47, .154 108, .059 18, .248 1. .00 24. .64 0

ATOM 3318 N LEU A 324 45, .695 109, .170 16, .957 1. .00 24. .58 N

ATOM 3320 CA LEU A 324 45, .399 110. .161 18, .010 1. .00 25. .87 C

ATOM 3322 CB LEU A 324 44, .579 111. .418 17, .549 1. .00 26. .09 c

ATOM 3325 CG LEU A 324 44, .986 112. .894 17 .929 1. .00 26. .13 c

ATOM 3327 CDI LEU A 324 45, .672 113. .257 19, .257 1. .00 25. .76 c

ATOM 3331 CD2 LEU A 324 45, .898 113, .485 16, .926 1. .00 23. .15 c

ATOM 3335 C LEU A 324 44, .714 109, .419 19, .145 1. .00 26. .83 c

ATOM 3336 O LEU A 324 44, .991 109. .693 20, .310 1. .00 27. .15 0 ATOM 3337 N HIS A 325 43.881 108.430 18.812 1.00 28.23 N

ATOM 3339 CA HIS A 325 43. 203 107. ,617 19. ,823 1. 00 29. .27 C

ATOM 3341 CB HIS A 325 42. 177 106. 696 19. 172 1. 00 30. .49 C

ATOM 3344 CG HIS A 325 41. ,246 106. .061 20. ,148 1. 00 34. .84 C

ATOM 3345 ND1 HIS A 325 40. ,619 104. .858 19. ,905 1. 00 39. .66 N

ATOM 3347 CEl HIS A 325 39. ,860 104. .545 20. ,940 1. 00 41. .15 C

ATOM 3349 NE2 HIS A 325 39. ,967 105. .504 21. .841 1. 00 40. .39 N

ATOM 3351 CD2 HIS A 325 40. ,829 106. .463 21. .373 1. 00 38. .58 C

ATOM 3353 C HIS A 325 44. .197 106. .808 20. .661 1. 00 28. .89 C

ATOM 3354 O HIS A 325 44. .117 106. .802 21. .886 1. 00 28. .73 O

ATOM 3355 N LEU A 326 45. .136 106. .136 19. .998 1. 00 27. .97 N

ATOM 3357 CA LEU A 326 46. .179 105. .384 20. .676 1. ,00 27. .38 C

ATOM 3359 CB LEU A 326 47. .070 104. .673 19. .647 1. ,00 27. .17 c

ATOM 3362 CG LEU ^'A 326 46. .330 103. .564 18. .891 1. ,00 27. .89 c

ATOM 3364 CDI LEU A 326 47. .067 103. .087 17. .664 1. ,00 28. .17 c

ATOM 3368 CD2 LEU A 326 46. .052 102. .390 19. .850 1. ,00 30. .61 c

ATOM 3372 C LEU A 326 47. .024 106. .284 21. .573 1. ,00 27. .58 c

ATOM 3373 O LEU A 326 47. .333 105. .933 22. .709 1. ,00 27. .51 0

ATOM 3374 N LEU A 327 47. .388 107. .455 21. .063 1. .00 27. .26 N

ATOM 3376 CA LEU A 327 48. .182 108. .399 21. .807 1. ,00 28. .10 C

ATOM 3378 CB LEU A 327 48. .568 109, .577 20. .903 1. .00 27. .88 C

ATOM 3381 CG LEU A 327 49. .465 110. .645 21. .493 1. ,00 28. .77 C

ATOM 3383 CDI LEU A 327 50. .809 110. .089 21. .930 1. .00 29. .82 C

ATOM 3387 CD2 LEU A 327 49. .645 Ill, .781 20. .493 1. .00 26. .59 c

ATOM 3391 C LEU A 327 47. .426 108, .873 23. .062 1. .00 29. .21 c

ATOM 3392 O LEU A 327 48. .011 108, .912 24. .152 1. .00 27, .53 0

ATOM 3393 N GLN A 328 46. .145 109, .223 22. .908 1. .00 30, .69 N

ATOM 3395 CA GLN A 328 45, .296 109, .589 24. .049 1. .00 33, .17 C

ATOM 3397 CB GLN A 328 43, .838 109, .809 23. .630 1. .00 33. .77 c

ATOM 3400 CG GLN A 328 43, .593 111, .004 22. .758 1. .00 37, .15 c

ATOM 3403 CD GLN A 328 42, .200 111 .015 22, .123 1. .00 40, .77 c

ATOM 3404 OEl GLN A 328 41, .373 110, .114 22. .366 1. .00 45, .04 0

ATOM 3405 NE2 GLN A 328 41, .942 112 .032 21, .305 1. .00 42, .03 N

ATOM 3408 C GLN A 328 45, .298 108, .471 25. .094 1. .00 34, .11 C

ATOM 3409 O GLN A 328 45, .217 108 .732 26, .285 1. .00 34, .90 O

ATOM 3410 N GLN A 329 45, .394 107, .225 24. .650 1. .00 35, .30 N

ATOM 3412 CA GLN A 329 45, .354 106 .094 25, .577 1. .00 36, .60 C

ATOM 3414 CB GLN A 329 44 .748 104 .881 24, .892 1, .00 36 .76 C

ATOM 3417 CG GLN A 329 43, .281 105 .106 24, .570 1. .00 38, .92 C

ATOM 3420 CD GLN A 329 42 .466 105 .463 25, .821 1, .00 41 .96 c

ATOM 3421 OEl GLN A 329 42, .461 104 .707 26, .796 1. .00 43, .07 O

ATOM 3422 NE2 GLN A 329 41 .802 106 .616 25, .799 1, .00 42 .23 N

ATOM 3425 C GLN A 329 46, .698 105 .754 26, .209 1. .00 36, .80 C

ATOM 3426 o GLN A 329 46 .787 104 .844 27 .037 1, .00 37 .98 O

ATOM 3427 N GLY A 330 47 .742 106 .481 25 .842 1, .00 36 .45 N

ATOM 3429 CA GLY A 330 49 .034 106 .292 26, .466 1. .00 36 .13 C

ATOM 3432 C GLY A 330 50 .044 105 .439 25 .727 1, .00 35 .56 C

ATOM 3433 O GLY A 330 51 .140 105 .193 26, .238 1. .00 36 .51 O

ATOM 3434 N LEU A 331 49 .716 104 .997 24 .526 1, .00 34 .53 N

ATOM 3436 CA LEU A 331 50 .670 104 .190 23, .776 1, .00 33 .67 C

ATOM 3438 CB LEU A 331 49 .930 103 .330 22 .763 1, .00 34 .28 C

ATOM 3441 CG LEU A 331 49 .173 102 .185 23 .444 1 .00 36 .64 C

ATOM 3443 CDI LEU A 331 47 .904 101 .900 22 .747 1, .00 39 .43 C

ATOM 3447 CD2 LEU A 331 50 .012 100 .922 23 .499 1, .00 38 .39 C

ATOM 3451 C LEU A 331 51 .710 105 .063 23 .080 1, .00 32 .26 c

ATOM 3452 0 LEU A 331 51 .468 106 .248 22 .827 1, .00 31 .52 O

ATOM 3453 N ASN A 332 52, .884 104 .492 22, .820 1, .00 30 .42 N ATOM 3455 CA ASN A 332 53..879 105.,143 21..998 1.00 29..53 C

ATOM 3457 CB ASN A 332 55. .291 104. .660 22. .334 1. 00 29. .99 C

ATOM 3460 CG ASN A 332 55. .604 104. .691 23. .835 1. ,00 34. .53 C

ATOM 3461 OD1 ASN A 332 56. .385 103. .853 24. .333 1. ,00 36. .88 O

ATOM 3462 ND2 ASN A 332 54. .992 105. .635 24. .568 1. ,00 36. .43 N

ATOM 3465 C ASN A 332 53. .528 104. .772 20. .535 1. .00 27. .40 C

ATOM 3466 O ASN A 332 53. .613 103. .593 20. .154 1. .00 26. .35 O

ATOM 3467 N VAL A 333 53. .124 105. .759 19. .747 1. .00 25. .24 N

ATOM 3469 CA VAL A 333 52. .654 105. .540 18. .373 1. .00 24. .78 C

ATOM 3471 CB VAL A 333 51. .331 106. .289 18. .138 1. .00 24. .82 C

ATOM 3473 CGI VAL A 333 50. .692 105. .888 16, .795 1. .00 24. .63 C

ATOM 3477 CG2 VAL A 333 50. .370 106. .038 19. .285 1. .00 25. .67 C

ATOM 3481 C VAL A 333 53. .688 105. .966 17. .314 1. .00 23. .41 C

ATOM 3482 O VAL A 333 54. .277 107. .046 17. .374 1. ,00 22. .31 O

ATOM 3483 N PHE A 334 53. .907 105. .067 16. .368 1. .00 22. .54 N

ATOM 3485 CA PHE A 334 54. .802 105. .282 15. .248 1. .00 22. .34 C

ATOM 3487 CB PHE A 334 55. .981 104. .335 15. .328 1. ,00 22. .16 C

ATOM 3490 CG PHE A 334 56. .734 104. .458 16. .602 1. .00 22. .30 c

ATOM 3491 CDI PHE A 334 57. .718 105. .409 16. .745 1. .00 21. .91 c

ATOM 3493 CEl PHE A 334 58. .378 105. .548 17. .938 1. .00 22. .41 c

ATOM 3495 CZ PHE A 334 58. .050 104. .739 19. .008 1. .00 22. .74 c

ATOM 3497 CE2 PHE A 334 57, .071 103. .825 18. .891 1. .00 22. .82 c

ATOM 3499 CD2 PHE A 334 56, .396 103. .683 17. .697 1. .00 21. .90 c

ATOM 3501 C PHE A 334 54, .016 105. .037 13, .970 1. .00 22. .09 c

ATOM 3502 O PHE A 334 52. .967 104. .404 13, .998 1. .00 22. .11 o

ATOM 3503 N VAL A 335 54, .534 105, .549 12, .863 1. .00 22. .19 N

ATOM 3505 CA VAL A 335 53, .905 105, .438 11, .576 1. .00 21. .82 C

ATOM 3507 CB VAL A 335 53, .210 106, .744 11, .178 1. .00 21. .78 C

ATOM 3509 CGI VAL A 335 52, .614 106, .643 9, .773 1. .00 22. .75 c

ATOM 3513 CG2 VAL A 335 52, .105 107, .112 12, .172 1. .00 20. .31 c

ATOM 3517 C VAL A 335 54, .948 105, .090 10, .518 1. .00 23. .38 c

ATOM 3518 O VAL A 335 56, .020 105, .703 10, .450 1. .00 22. .09 o

ATOM 3519 N ILE A 336 54, .637 104, .084 9, .711 1. .00 24. .57 N

ATOM 3521 CA ILE A 336 55, .445 103, .764 8, .540 1. .00 26, .27 C

ATOM 3523 CB ILE A 336 55, .708 102, .280 8, .455 1. .00 26, .48 c

ATOM 3525 CGI ILE A 336 56 .591 101, .848 9, .602 1. .00 27, .97 c

ATOM 3528 CDI ILE A 336 56 .394 100 .393 9 .935 1. .00 31, .14 c

ATOM 3532 CG2 ILE A 336 56 .364 101 .940 7 .139 1. .00 26, .05 c

ATOM 3536 C ILE A 336 54 .612 104 .164 7 .337 1. .00 27, .74 c

ATOM 3537 O ILE A 336 53 .477 103 .730 7 .198 1. .00 27, .59 0

ATOM 3538 N GLN A 337 55 .193 104 .961 6 .458 1. .00 29, .46 N

ATOM 3540 CA GLN A 337 5 .470 105 .455 5 .307 1. .00 31, .18 C

ATOM 3542 CB GLN A 337 54 .768 106 .944 5 .138 1. .00 31, .99 C

ATOM 3545 CG GLN A 337 53 .654 107 .688 4 .420 1. .00 35, .53 C

ATOM 3548 CD GLN A 337 53 .819 109 .200 4 .420 .¹ - .00 38, .28 C

ATOM 3549 OEl GLN A 337 54 .352 109 .789 5 .360 ^' 1. .00 38, .06 o

ATOM 3550 NE2 GLN A 337 53 .336 109 .829 3 .358 1, .00 42, .42 N

ATOM 3553 C GLN A 337 54 .858 104 .664 4 .056 1, .00 31 .91 C

ATOM 3554 O GLN A 337 56 .001 104 .704 3 .615 1, .00 31, .29 O

ATOM 3555 N LEU A 338 53 .901 103 .915 3 .518 1, .00 32, .73 N

ATOM 3557 CA LEU A 338 54 .118 103 .165 '2. .289 1, .00 34 .32 C

ATOM 3559 CB LEU A 338 53 .035 102 .097 2 .116 1, .00 34 .40 C

ATOM 3562 CG LEU A 338 53 .185 100 .800 2 .926 1, .00 35 .40 C

ATOM 3564 CDI LEU A 338 51 .880 100, .009 2 .974 1. .00 35. .78 C

ATOM 3568 CD2 LEU A 338 54 .290 99, .953 2 .366 1. .00 36. .30 C

ATOM 3572 C LEU A 338 54 .091 104 .138 1 .101 1. .00 35, .18 C

ATOM 3573 O LEU A 338 53 .487 105 .198 1 .187 1. .00 34. .80 O ATOM 3574 N PRO A 339 54..782 103..797 0..019 1..00 37,.00 N

ATOM 3575 CA PRO A 339 54. .732 104. .588 -1. .217 1. .00 37, .48 C

ATOM 3577 CB PRO A 339 55. .524 103. .746 -2. .212 1. .00 37, .42 C

ATOM 3580 CG PRO A 339 56. .423 102. .911 -1. .395 1. .00 38, .09 C

ATOM 3583 CD PRO A 339 55. .692 102. .645 -0. .104 1. .00 37. .29 ^■ C

ATOM 3586 C PRO A 339 53. .301 104. .763 -1. .709 1. .00 38. .24 C

ATOM 3587 O PRO A 339 52. .430 103. .923 -1. .438 1. .00 37. .30 O

ATOM 3588 N SER A 340 53, .093 105. .849 -2, .446 1. .00 38, .81 N

ATOM 3590 CA SER A 340 51, .781 106. .243 -2. .948 1. .00 39, .79 C

ATOM 3592 CB SER A 340 51, .948 107. .367 -3. .971 1. .00 40, .36 C

ATOM 3595 OG SER A 340 50, .828 108. .228 -3, .971 1. .00 42, .18 0

ATOM 3597 C SER A 340 50. .967 105. .110 -3. .558 1. .00 39, .73 c

ATOM 3598 O SER A 340 51. .429 104. .404 -4. .454 1. .00 39. .82 o

ATOM 3599 N GLY A 341 49. .746 104. .947 -3. .048 1. .00 40, .08 N

ATOM 3601 CA GLY A 341 48. .802 103. .951 -3, .529 1, .00 40, .17 c

ATOM 3604 C GLY A 341 49, .034 102. .519 -3, .081 1, .00 40, .33 c

ATOM 3605 0 GLY A 341 48, .197 101. .661 -3, .357 1, .00 40, .67 0

ATOM 3606 N MSE A 342 50, .135 102. .259 -2, .373 1. .00 40, .00 N

ATOM 3608 CA MSE A 342 50, .537 100. .884 -2. .063 1. .00 39. .56 C

ATOM 3610 CB MSE A 342 52, .060 100. .776 -2. .149 1. .00 39. .65 C

ATOM 3613 CG MSE A 342 52, .615 100. .911 -3. .547 1. .00 41. .79 C

ATOM 3616 SE MSE A 342 54. .372 100. .051 -3, .744 1. .00 42. .82 SE

ATOM 3617 CE MSE A 342 53, .823 98, .407 -4, .284 1, .00 46, .11 C

ATOM 3621 C MSE A 342 50, .113 100. .315 -0, .711 1. .00 38, .75 c

ATOM 3622 O MSE A 342 50, .086 101. .011 0, .303 1. .00 38. .67 o

ATOM 3623 N ASP A 343 49, .773 99. .031 -0, .718 1. .00 38. .08 N

ATOM 3625 CA ASP A 343 49, .595 98. .297 0, .522 1. .00 37. .69 c

ATOM 3627 CB ASP A 343 48, .253 97. .560 0, .582 1. .00 38. .10 c

ATOM 3630 CG ASP A 343 48, .035 96. .584 -0, .561 1. .00 39. .03 c

ATOM 3631 OD1 ASP A 343 48, .981 96, .177 -1, .271 1, .00 39, .07 0

ATOM 3632 OD2 ASP A 343 46, .897 96, .152 -0, .792 1. .00 42, .04 0

ATOM 3633 C ASP A 343 50, .792 97. .346 0, .643 1. .00 37, .16 c

ATOM 3634 O ASP A 343 51, .560 97. .178 -0, .301 1. .00 35. .97 o

ATOM 3635 N PRO A 344 50, .984 96. .737 1, .806 1. .00 37. .14 N

ATOM 3636 CA PRO A 344 52, .093 95. .796 1, .979 1. .00 36. .81 C

ATOM 3638 CB PRO A 344 51, .844 95. .238 3, .375 1. .00 37. .04 C

ATOM 3641 CG PRO A 344 51 .143 96, .354 4, .082 1, .00 37, .16 C

ATOM 3644 CD PRO A 344 50 .213 96, .919 3, .048 1, .00 36, .84 c

ATOM 3647 C PRO A 344 52 .123 94, .680 0, .929 1. .00 36. .85 c

ATOM 3648 O PRO A 344 53, .195 94. .355 0, .430 1. .00 36. .59 0

ATOM 3649 N ASP A 345 50, .968 94. .127 0, .585 1. .00 37. .15 N

ATOM 3651 CA ASP A 345 50, .892 93. .067 -0, .422 1. .00 37. .70 C

ATOM 3653 CB ASP A 345 49, .438 92. .687 -0, .658 1. .00 38. .10 C

ATOM 3656 CG ASP A 345 49 .268 91, .650 -1 .763 1, .00 40, .02 C

ATOM 3657 OD1 ASP A 345 48 .139 91, .518 -2, .265 1, .00 43, .83 O

ATOM 3658 OD2 ASP A 345 50 .191 90, .920 -2, .186 1, .00 43. .06 O

ATOM 3659 C ASP A 345 51, .520 93, .550 -1, .736 1. .00 37. .73 c

ATOM 3660 O ASP A 345 52, .385 92, .889 -2, .318 1. .00 37. .24 O

ATOM 3661 N GLU A 346 51, .086 94. .722 -2, .184 1. .00 37. .83 N

ATOM 3663 CA GLU A 346 51, .613 95. .301 -3, .408 1. .00 38. .01 c

ATOM 3665 CB GLU A 346 50 .935 96, .639 -3 .706 1, .00 38. .35 C

ATOM 3668 CG GLU A 346 51 .129 97, .076 -5, .156 1, .00 39, .50 C

ATOM 3671 CD GLU A 346 50, .633 98, .473 -5. .450 1. .00 41. .69 c

ATOM 3672 OEl GLU A 346 49, .642 98, .918 -4, .819 1, .00 44. .39 O

ATOM 3673 OE2 GLU A 346 51, .243 99. .128 -6, .328 1. .00 41. .66 0

ATOM 3674 C GLU A 346 53, .131 95. .495 -3, .303 1. .00 37. .79 c

ATOM 3675 O GLU A 346 53, .883 95. .103 -4, .191 1. .00 37. .62 0 ATOM 3676 N TYR A 347 53.579 96.106 -2.210 1.00 37.82 N

ATOM 3678 CA TYR A 347 55. 001 96. 417 -2. 028 1. 00 37. 60 C

ATOM 3680 CB TYR A 347 55. ,242 97. 170 -0. ,713 1. 00 37. 08 C

ATOM 3683 CG TYR A 347 56. ,664 97. .683 -0. .577 1. 00 36. 35 c

ATOM 3684 CDI TYR A 347 56. ,970 99. ,018 -0. .797 1. 00 36. ,07 c

ATOM 3686 CEl TYR A 347 58. ,268 99. ,476 -0. .673 1. 00 35. ,36 c

ATOM 3688 CZ TYR A 347 59. ,268 98. .586 -0. .336 1. 00 34. .62 c

ATOM 3689 OH TYR A 347 60. ,568 98. .994 -0. .202 1. 00 37. .02 0

ATOM 3691 CE2 TYR A 347 58. .986 97. .273 -0. .119 1. ,00 33. .20 c

ATOM 3693 CD2 TYR A 347 57. .701 96. .827 -0. .242 1. ,00 34. .53 c

ATOM 3695 C TYR A 347 55. .869 95. .171 -2. .064 1. ,00 37. .86 c

ATOM 3696 O TYR A 347 56. .917 95. .162 -2. .703 1. ,00 38. .49 0

ATOM 3697 N ILE A 348 55. .443 94. .134 -1. .355 1. .00 38. .18 N

ATOM 3699 CA ILE A 348 56. .203 92. .893 -1. .280 1. .00 38. .58 C

ATOM 3701 CB ILE A 348 55. .565 91. .948 -0, .255 1. .00 38. .52 c

ATOM 3703 CGI ILE A 348 55. .739 92. .514 1. .158 1. .00 38. .66 c

ATOM 3706 CDI ILE A 348 54. .706 91. .992 2, .134 1. .00 39. .09 c

ATOM 3710 CG2 ILE A 348 56. .168 90. .539 -0, .352 1. .00 38. .74 c

ATOM 3714 C ILE A 348 56. .253 92. .234 -2, .651 1. .00 39. .15 c

ATOM 3715 O ILE A 348 57. .309 91. .785 -3, .102 1. .00 38. .99 0

ATOM 3716 N GLY A 349 55. .106 92. .205 -3, .317 1. .00 39. .59 N

ATOM 3718 CA GLY A 349 55. .019 91, .621 -4, .644 1. .00 40. .41 C

ATOM 3721 C GLY A 349 55. .938 92. .324 -5. .635 1. .00 40. .89 c

ATOM 3722 O GLY A 349 56. .531 91. .669 -6. .483 1. .00 41. .19 o

ATOM 3723 N LYS A 350 56. .075 93. .644 -5, .516 1. .00 41. .35 N

ATOM 3725 CA LYS A 350 56. .909 94. .428 -6, .435 1. .00 41. .78 C

ATOM 3727 CB LYS A 350 56. .351 95. .849 -6, .579 1. .00 41. .80 C

ATOM 3730 CG LYS A 350 55. .122 95. .927 -7, .471 1. .00 42. .00 C

ATOM 3733 CD LYS A 350 54. .559 97. .332 -7, .559 1. .00 42. .23 C

ATOM 3736 CE LYS A 350 53. .349 97, .370 -8, .475 1. .00 41. .97 c

ATOM 3739 NZ LYS A 350 52. .632 98, .674 -8, .396 1. .00 41, .02 N

ATOM 3743 C LYS A 350 58, .390 94. .518 -6 .064 1. .00 42, .41 C

ATOM 3744 O LYS A 350 59, .248 94, .565 -6, .953 1. .00 42, .75 O

ATOM .3745 N TYR A 351 58, .709 94, .543 -4 .772 1. .00 42, .79 N

ATOM 3747 CA TYR A 351 60, .098 94, .760 -4 .360 1. .00 43. .09 C

ATOM 3749 CB TYR A 351 60 .182 96, .026 -3 .510 1. .00 43. .46 C

ATOM 3752 CG TYR A 351 59 .654 97 .248 -4 .230 1, .00 44, .86 C

ATOM 3753 CDI TYR A 351 60 .350 97 .798 -5 .301 1, .00 46 .41 C

ATOM 3755 CEl TYR A 351 59 .875 98 .908 -5 .975 1, .00 47 .29 c

ATOM 3757 CZ TYR A 351 58 .682 99 .480 -5 .585 1, .00 48 .16 c

ATOM 3758 OH TYR A 351 58 .228 100 .583 -6 .264 1, .00 48 .72 o

ATOM 3760 CE2 TYR A 351 57 .965 98 .953 -4 .520 1, .00 47 .34 c

ATOM 3762 CD2 TYR A 351 58 .454 97 .838 -3 .854 1 .00 46 .57 c

ATOM 3764 C TYR A 351 60 .786 93 .599 -3 .641 1, .00 42, .70 c

ATOM 3765 O TYR A 351 62 .004 93 .608 -3 .515 1, .00 42, .82 0

ATOM 3766 N GLY A 352 60 .023 92 .623 -3 .165 1, .00 42 .45 N

ATOM 3768 CA GLY A 352 60 .593 91 .461 -2 .492 1, .00 42 .61 C

ATOM 3771 C GLY A 352 60 .619 91 .523 -0 .968 1, .00 42 .57 c

ATOM 3772 O GLY A 352 60 .553 92 .598 -0 .367 1, .00 42 .00 0

ATOM 3773 N ASN A 353 60 .725 90 .354 -0 .345 1, .00 42 .65 N

ATOM 3775 CA ASN A 353 60 .739 90 .236 1 .112 1, .00 42 .88 C

ATOM 3777 CB ASN A 353 60 .880 88 .761 1 .509 1 .00 43 .07 C

ATOM 3780 CG ASN A 353 59 .651 87 .951 1 .159 1, .00 43 .61 C

ATOM 3781 OD1 ASN A 353 58 .702 88 .476 0 .582 1 .00 44 .10 0

ATOM 3782 ND2 ASN A 353 59 .667 86 .659 1 .488 1 .00 43 .29 N

ATOM 3785 C ASN A 353 61 .809 91 .099 1 .804 1, .00 42 .76 C

ATOM 3786 O ASN A 353 61 .505 91 .835 2 .750 1, .00 42 .78 O ATOM 3787 N ASP A 354 63..046 91..044 1..319 1.00 42..55 N

ATOM 3789 CA ASP A 354 64. .136 91. .799 1. .935 1. 00 42. .26 C

ATOM 3791 CB ASP A 354 65. .470 91. .500 1. .255 1. 00 42. .65 C

ATOM 3794 CG ASP A 354 65. .994 90. .122 1. .576 1. 00 44. .24 C

ATOM 3795 OD1 ASP A 354 65. .462 89. .474 2. .507 1. 00 45. .39 O

ATOM 3796 OD2 ASP A 354 66. .939 89. .604 0. .937 1. .00 46. .81 O

ATOM 3797 C ASP A 354 63. .906 93. .294 1. .879 1. ,00 41. .53 c

ATOM 3798 O ASP A 354 64. .248 94. .015 2. .817 1. ,00 41. .32 0

ATOM 3799 N ALA A 355 63. .384 93. . 161 0. .750 1. ,00 40. .40 N

ATOM 3801 CA ALA A 355 63. .115 95. .180 0. .593 1. ,00 39. .37 C

ATOM 3803 CB ALA A 355 62. .638 95. .492 -0. .821 1. ,00 39. .70 C

ATOM 3807 C ALA A 355 62. .073 95. .597 1. .625 1. ,00 38. .03 c

ATOM 3808 O ALA A 355 62. .249 96. .595 2. .300 1. .00 37. .46 0

ATOM 3809 N PHE A 356 61. .000 94. .819 1. .735 1. .00 37. .05 N

ATOM 3811 CA PHE A 356 59. .938 95. .087 2. .702 1. .00 36. .31 C

ATOM 3813 CB PHE A 356 58. .861 94. .014 2. .622 1. .00 36. .09 C

ATOM 3816 CG PHE A 356 57. .704 94. .258 3. .554 1. .00 34. .27 C

ATOM 3817 CDI PHE A 356 56. .932 95. .382 3. .412 1. .00 32. .48 C

ATOM 3819 CEl PHE A 356 55. .892 95. .641 4, .266 1. .00 31. .56 c

ATOM 3821 CZ PHE A 356 55. .600 94. .766 5, .272 1. .00 31. .74 c

ATOM 3823 CE2 PHE A 356 56. .362 93. .641 5, .442 1. .00 33. .26 c

ATOM 3825 CD2 PHE A 356 57. .421 93, .388 4, .585 1. .00 33, .29 c

ATOM 3827 C PHE A 356 60. .448 95, .191 4, .146 1. .00 36. .46 c

ATOM 3828 O PHE A 356 60. .196 96, .188 4, .823 1. .00 35. .98 •o

ATOM 3829 N THR A 357 61, .169 94, .178 4, .615 1. .00 36, .81 N

ATOM 3831 CA THR A 357 61, .645 94, .168 6, .011 1. .00 37. .41 c

ATOM 3833 CB THR A 357 62. .199 92, .784 6, .415 1. .00 37. .75 c

ATOM 3835 OGl THR A 357 63, .299 92, .410 5, .575 1. .00 39. .17 0

ATOM 3837 CG2 THR A 357 61, .176 91, .707 6, .188 1. .00 37. .96 c

ATOM 3841 C THR A 357 62, .663 95, .273 6, .274 1. .00 37, .20 c

ATOM 3842 O THR A 357 62, .738 95, .835 7, .376 1. .00 37, .22 0

ATOM 3843 N THR A 358 63, .430 95, .619 5, .250 1. .00 36, .93 N

ATOM 3845 CA THR A 358 64, .331 96, .747 5, .358 1. .00 36, .97 c

ATOM 3847 CB THR A 358 65, .286 96, .764 4, .166 1. .00 36, .92 c

ATOM 3849 OGl THR A 358 66, .082 95 .571 4, .176 1. .00 38, .70 0

ATOM 3851 CG2 THR A 358 66, .296 97 .867 4, .275 1. .00 37, .88 c

ATOM 3855 C THR A 358 63, .505 98 .033 5, .396 1. .00 36, .54 c

ATOM 3856 O THR A 358 63, .772 98 .933 6 .182 1. .00 36, .21 0

ATOM 3857 N PHE A 359 62, .478 98 .100 4 .559 1. .00 36, .32 N

ATOM 3859 CA PHE A 359 61, .671 99 .305 4, .454 1. .00 36, .72 C

ATOM 3861 CB PHE A 359 60, .610 99 .150 3 .352 1. .00 36, .52 C

ATOM 3864 CG PHE A 359 59, .801 100 .394 3, .111 1. .00 38, .00 c-

ATOM 3865 CDI PHE A 359 60 .256 101 .378 2 .247 1. .00 39, .13 c

ATOM 3867 CEl PHE A 359 59 .522 102 .516 2 .022 1. .00 40, .30 c

ATOM 3869 CZ PHE A 359 58 .318 102 .705 2 .671 1. .00 40, .91 c

ATOM 3871 CE2 PHE A 359 57 .849 101 .742 3 .533 1. .00 39, . 96 c

ATOM 3873 CD2 PHE A 359 58 .587 100 .584 3 .746 1. .00 40, .15 c

ATOM 3875 C PHE A 359 61, .018 99 .612 5 .802 1. .00 36, .85 c

ATOM 3876 O PHE A 359 61 .107 100 .720 6 .304 1. .00 36, .74 0

ATOM 3877 N VAL A 360 60 .404 98 .605 6 .408 1. .00 37, .35 N

ATOM 3879 CA VAL A 360 59 .691 98 .790 7 .667 1. .00 38, .38 c

ATOM 3881 CB VAL A 360 58 .907 97 .527 8 .025 1. .00 38, .37 c

ATOM 3883 CGI VAL A 360 58 .509 97 .543 9 .478 1. .00 40, .13 c

ATOM 3887 CG2 VAL A 360 57 .674 97 .414 7 .130 1. .00 37, .21 c

ATOM 3891 C VAL A 360 60 .586 99 .184 8 .839 1. .00 38, .97 c

ATOM 3892 O VAL A 360 60 .093 99 .702 9 .835 1. .00 39, .81 0

ATOM 3893 N LYS A 361 61 .890 98 .964 8 .690 1. .00 39, .31 N ATOM 3895 CA LYS A 361 62..906 99..221 9..715 1..00 40..03 C

ATOM 3897 CB LYS A 361 63. .981 98. .129 9. .540 1. .00 40. .47 C

ATOM 3900 CG LYS A 361 64. .960 97. .896 10. .651 1. .00 44, .09 C

ATOM 3903 CD LYS A 361 65. .993 96. .829 10. .210 1. .00 47, .94 C

ATOM 3906 CE LYS A 361 66. .838 96. .283 11. .378 1. .00 50, .56 C

ATOM 3909 NZ LYS A 361 68. .194 95. .788 10. .964 1. .00 51, .75 N

ATOM 3913 C LYS A 361 63. .536 100. .631 9. .565 1. .00 39, .38 C

ATOM 3914 O LYS A 361 64. .277 101. .094 10. .432 1. .00 38, .40 0

ATOM 3915 N ASN A 362 63. .200 101. .312 8. .468 1. .00 39, .39 N

ATOM 3917 CA ASN A 362 63. .803 102. .595 8. .105 1. .00 39. .19 C

ATOM 3919 CB ASN A 362 64. .011 102. .623 6. .575 1. .00 39. .64 C

ATOM 3922 CG ASN A 362 64, .843 103, .809 6. .109 1, .00 41 .13 c

ATOM 3923 OD1 ASN A 362 65, .854 104, .165 6. .719 1. .00 42 .30 0

ATOM 3924 ND2 ASN A 362 64, .415 104, .429 5, .016 1, .00 42 .30 N

ATOM 3927 C ASN A 362 63, .043 103, .845 8, .576 1. .00 38 .43 C

ATOM 3928 O ASN A 362 63, .379 104, .421 9, .622 1, .00 39 .06 0

ATOM 3929 N ASP A 363 62, .023 104, .279 7, .840 1, .00 37 .06 N

ATOM 3931 CA ASP A 363 61, .366 105, .551 8, .174 1. .00 36 .59 C

ATOM 3933 CB ASP A 363 60, .968 106, .305 6, .894 1. .00 36 .66 C

ATOM 3936 CG ASP A 363 62, .160 106, .984 6, .228 1. .00 40 .34 C

ATOM 3937 OD1 ASP A 363 63, .050 107, .504 6, .951 1. .00 44. .19 0

ATOM 3938 OD2 ASP A 363 62, .289 107, .074 4, .984 1. .00 44, .80 0

ATOM 3939 C ASP A 363 60, .172 105, .431 9, .141 1. .00 34, .52 c

ATOM 3940 O ASP A 363 59, .036 105, .797 8, .786 1. .00 35, .33 0

ATOM 3941 N LYS A 364 60, .440 104. .913 10, .344 1. .00 30, .51 N

ATOM 3943 CA LYS A 364 59, .434 104, .754 11, .386 1. .00 28, .22 C

ATOM 3945 CB LYS A 364 59, .777 103, .517 12, .225 1. .00 28, .32 C

ATOM 3948 CG LYS A 364 58, .744 103, .092 13, .201 1. .00 27, .72 C

ATOM 3951 CD LYS A 364 59, .114 101, .783 13, .906 1. .00 27, .65 c

ATOM 3954 CE LYS A 364 59, .197 100. .558 13, .018 1. .00 27, .13 c

ATOM 3957 NZ LYS A 364 59, .350 99. .305 13, .825 1. .00 27, .04 N

ATOM 3961 C LYS A 364 59. .408 106. .045 12, .219 1. .00 26. .44 C

ATOM 3962 O LYS A 364 60. .376 106. .403 12, .908 1. .00 25, .77 0

ATOM 3963 N LYS A 365 58, .314 106. .780 12. .126 1. .00 24, .36 N

ATOM 3965 CA LYS A 365 58. .242 108. .083 12. .755 1. .00 23. .87 C

ATOM 3967 CB LYS A 365 57, .761 109. .121 11. .746 1. .00 25. .17 C

ATOM 3970 CG LYS A 365 58, .720 109. .536 10, .701 1. .00 28. .46 C

ATOM 3973 CD LYS A 365 58, .123 110. .744 9, .992 1. .00 34. .58 C

ATOM 3976 CE LYS A 365 58, .831 111. .098 8. .704 1. .00 38. .35 C

ATOM 3979 NZ LYS A 365 57, .899 111. .863 7. .827 1. .00 40. .99 N

ATOM 3983 C LYS A 365 57. .251 108. .130 13. .888 1. .00 22. .39 C

ATOM 3984 O LYS A 365 56. .186 107. .546 13. .805 1. .00 21. .44 0

ATOM 3985 N SER A 366 57. .603 108. .846 14. .942 1. .00 20. .85 N

ATOM 3987 CA SER A 366 56. .642 109. .097 15. .994 1. .00 20. .60 C

ATOM 3989 CB SER A 366 57. .245 109. .986 17. .060 1. .00 20. .79 C

ATOM 3992 OG SER A 366 58. .095 109. .226 17. .885 1. .00 19. .19 0

ATOM 3994 C SER A 366 55. .437 109. .777 15. .378 1. .00 20. .36 c

ATOM 3995 O SER A 366 55. .574 110. .598 14. .470 1. .00 20. .59 0

ATOM 3996 N PHE A 367 54. .260 109. .411 15. .866 1. .00 20. .70 N

ATOM 3998 CA PHE A 367 53. .004 109. .955 15. .390 1. .00 20. .82 C

ATOM 4000 CB PHE A 367 51. .873 109. .521 16. .332 1. .00 21. .48 C

ATOM 4003 CG PHE A 367 50. .537 110. .012 15. .909 1. .00 20. .41 c

ATOM 4004 CDI PHE A 367 49. .905 109. .470 14. .815 1. ,00 22. .74 c

ATOM 4006 CEl PHE A 367 48. .662 109. .940 14. .420 1. .00 24. .27 c

ATOM 4008 CZ PHE A 367 48. .053 110. .965 15. .120 1. .00 23. .94 c

ATOM 4010 CE2 PHE A 367 48. .689 111. .509 16. .214 1. .00 23. .91 c

ATOM 4012 CD2 PHE A 367 49. .923 111. .040 16. .594 1. .00 22. .69 c ATOM 4014 C PHE A 367 53..002 111..459 15..248 1.,00 20..10 C

ATOM 4015 O PHE A 367 52. .558 111. .980 14. .237 1. ,00 20. .20 O

ATOM 4016 N ALA A 368 53. .512 112. .181 16. .236 1. ,00 19. .90 N

ATOM 4018 CA ALA A 368 53. .454 113. .637 16. .172 1. ,00 19. .88 C

ATOM 4020 CB ALA A 368 53. .997 114. .245 17. .457 1. .00 20. .36 C

ATOM 4024 C ALA A 368 54. .206 114. .183 14. .963 1. .00 20. .21 C

ATOM 4025 O ALA A 368 53. .773 115. .140 14. .311 1. .00 19. .43 O

ATOM 4026 N HIS A 369 55. .353 113. .582 14. .673 1. .00 20. .71 N

ATOM 4028 CA HIS A 369 56. .126 113. .973 13. .507 1. .00 21. .86 C

ATOM 4030 CB HIS A 369 57. .484 113. .267 13. .530 1. .00 22. .29 C

ATOM 4033 CG HIS A 369 58. .463 113. .828 12. .549 1. .00 25. .47 c

ATOM 4034 NDl HIS A 369 59. .703 113. .267 12. .329 1. .00 27. .63 N

ATOM 4036 CEl HIS A 369 60. .352 113. .986 11. .425 1. .00 29. .55 c

ATOM 4038 NE2 HIS A 369 59. .574 114. .985 11. .046 1. .00 27. .51 N

ATOM 4040 CD2 HIS A 369 58. .393 114, .920 11. .747 1. .00 27. .60 c

ATOM 4042 C HIS A 369 55. .344 113, .662 12. .215 1. .00 21. .66 c

ATOM 4043 O HIS A 369 55. .214 114, .514 11, .330 1. .00 21. .48 O

ATOM 4044 N TYR A 370 54. .830 112, .445 12, .097 1. .00 21. .79 N

ATOM 4046 CA TYR A 370 53. .978 112, .108 10, .954 1. .00 21. .68 c

ATOM 4048 CB TYR A 370 53, .433 110, .690 11. .071 1. .00 22. .17 C

ATOM 4051 CG TYR A 370 52, .380 110, .379 10, .046 1. .00 22. .22 C

ATOM 4052 CDI TYR A 370 52, .719 110, .068 8, .732 1. .00 22. .65 C

ATOM 4054 CEl TYR A 370 51, .736 109, .800 7, .789 1. .00 23. .47 C

ATOM 4056 CZ TYR A 370 50, .423 109, .834 8, .166 1. .00 24. .18 C

ATOM 4057 OH TYR A 370 49, .435 109, .585 7, .240 1. .00 27. .03 O

ATOM 4059 CE2 TYR A 370 50, .071 110. .134 9, .457 1. .00 24. .09 C

ATOM 4061 CD2 TYR A 370 51, .041 110. .390 10, .390 1. .00 23. .47 C

ATOM 4063 C TYR A 370 52, .808 113, .097 10, .798 1. .00 21, .60 C

ATOM 4064 O TYR A 370 52, .551 113, .609 9, .695 1. .00 20, .23 O

ATOM 4065 N LYS A 371 52, .090 113, .362 11, .888 1. .00 21, .22 N

ATOM 4067 CA LYS A 371 50, .938 114 .270 11, .827 1. .00 21, .06 C

ATOM 4069 CB LYS A 371 50, .286 114 .372 13, .214 1. .00 21, .57 C

ATOM 4072 CG LYS A 371 49, .110 115, .326 13, .321 1. .00 22, .01 c

ATOM 4075 CD LYS A 371 48, .514 115 .243 14, .709 1. .00 24, .42 c

ATOM 4078 CE LYS A 371 47 .349 116 .171 14, .929 1. .00 25, .98 c

ATOM 4081 NZ LYS A 371 46 .817 116 .010 16, .320 1. .00 27, .96 N

ATOM 4085 C LYS A 371 51 .298 115 .654 11, .290 1. .00 21, .00 c

ATOM 4086 0 LYS A 371 50 .637 116 .179 10, .387 1. .00 20, .79 o

ATOM 4087 N VAL A 372 52 .336 116 .273 11, .842 1. .00 20, .87 N

ATOM 4089 CA VAL A 372 52 .678 117 .621 11, .426 1. .00 21, .64 C

ATOM 4091 CB VAL A 372 53 .694 118 .309 12 .377 1. .00 21, .47 C

ATOM 4093 CGI VAL A 372 55 .101 117 .815 12, .133 1. .00 21, .00 C

ATOM 4097 CG2 VAL A 372 53 .587 119 .839 12 .235 1. .00 22 .67 C

ATOM 4101 C VAL A 372 53 .134 117 .610 9 .959 1. .00 21, .56 C

ATOM 4102 O VAL A 372 52 .857 118 .557 9 .234 1. .00 21 .53 O

ATOM 4103 N SER A 373 53 .768 116 .520 9 .510 1. .00 22, .19 N

ATOM 4105 CA SER A 373 54 .200 116 .438 8 .130 1. .00 23 .38 C

ATOM 4107 CB SER A 373 55 .053 115 .202 7 .851 1, .00 23 .40 C

ATOM 4110 OG SER A 373 54 .240 114 .035 7 .840 1. .00 26 .23 O

ATOM 4112 C SER A 373 52 .981 116 .491 7 .189 1, .00 23 .85 C

ATOM 4113 O SER A 373 53 .037 117 .178 6 .168 1, .00 23 .62 O

ATOM 4114 N ILE A 374 51 .882 115 .818 7 .558 1, .00 23 .67 N

ATOM 4116 CA ILE A 374 50 .646 115 .849 6 .776 1, .00 24 .45 C

ATOM 4118 CB ILE A 374 49 .580 114 .858 7 .328 1, .00 25, .44 C

ATOM 4120 CGI ILE A 374 49 .994 113 .386 7 .179 1, .00 26, .15 C

ATOM 4123 CDI ILE A 374 50 .662 113 .011 5, .856 1, .00 29, .70 c

ATOM 4127 CG2 ILE A 374 48 .236 115 .053 6 .626 1, .00 27, .29 c ATOM 4131 C ILE A 374 50.035 117 257 6..768 1..00 24..37 C

ATOM 4132 O ILE A 374 49.464 117 681 5. .770 1. .00 22, .94 O

ATOM 4133 N LEU A 375 50.147 117 970 7. .887 1. .00 22, .99 N

ATOM 4135 CA LEU A 375 49.545 119 293 8. .026 1. .00 23, .03 C

ATOM 4137 CB LEU A 375 49.187 119.558 9. .498 1. .00 22, .98 C

ATOM 4140 CG LEU A 375 48.176 118.570 10. .103 1. .00 23, .57 C

ATOM 4142 CDI LEU A 375 48.013 118.787 11. .600 1. .00 26, .13 c

ATOM 4146 CD2 LEU A 375 46.825 118.651 9. .402 1. .00 23, .13 c

ATOM 4150 C LEU A 375 50.447 120.417 7. .565 1. .00 23, .03 c

ATOM 4151 O LEU A 375 50.078 121 ,571 7. .638 1. .00 22, .88 0

ATOM 4152 N LYS A 376 51.626 120 ,073 7, .070 1. .00 23, .72 N

ATOM 4154 CA LYS A 376 52.642 121 066 6. .720 1. .00 24, .93 C

ATOM 4156 CB LYS A 376 53.804 120 385 6. .006 1. .00 25. .67 C

ATOM 4159 CG LYS A 376 54.866 121 365 5. .542 1. .00 29. .69 C

ATOM 4162 CD LYS A 376 55.976 120 635 4. .814 1. .00 33, .80 C

ATOM 4165 CE LYS A 376 56.901 121 608 4. .096 1. .00 36, .83 C

ATOM 4168 NZ LYS A 376 58.188 120 942 3. .726 1. .00 39, .33 N

ATOM 4172 C LYS A 376 52.161 122 ,243 5. .861 1. .00 24, .83 C

ATOM 4173 O LYS A 376 52.414 123 ,382 6. .203 1. .00 23, .91 O

ATOM 4174 N ASP A 377 51.477 121.967 4. .759 1. .00 25, .47 N

ATOM 4176 CA ASP A 377 51.098 123.032 3. .821 1. .00 26, .17 C

ATOM 4178 CB ASP A 377 50.611 122.426 2. .509 1. .00 27, .43 C

ATOM 4181 CG ASP A 377 51.725 121.708 1. .759 1. .00 31, .35 C

ATOM 4182 OD1 ASP A 377 52.903 122 ,075 1. .947 1. .00 34, .97 O

ATOM 4183 OD2 ASP A 377 51.516 120 ,754 0. .988 1. .00 37, .57 0

ATOM 4184 C ASP A 377 50.022 123 ,926 4. .397 1. .00 25, .55 c

ATOM 4185 O ASP A 377 50.049 125 ,120 4. .244 1. .00 24, .67 0

ATOM 4186 N PHE A 378 49.064 123.300 5. .055 1. .00 25, .51 N

ATOM 4188 CA PHE A 378 47.988 123 ,963 5. .742 1. .00 25, .97 C

ATOM 4190 CB PHE A 378 47.318 122.839 6. .489 1. .00 27, .46 C

ATOM 4193 CG PHE A 378 45.901 123.023 6, .795 1. .00 33, .08 C

ATOM 4194 CDI PHE A 378 45.063 121.936 6, .682 1. .00 35, .86 c

ATOM 4196 CEl PHE A 378 43.797 122.035 6, .985 1. .00 38, .49 c

ATOM 4198 CZ PHE A 378 43.305 123.192 7, .499 1. .00 39, .54 c

ATOM 4200 CE2 PHE A 378 44.082 124 ,235 7, .682 1. .00 36, .80 c

ATOM 4202 CD2 PHE A 378 45.407 124.171 7, .340 1. .00 37, .92 c

ATOM 4204 C PHE A 378 48.578 124 ,952 6, .742 1. .00 24, .68 c

ATOM 4205 O PHE A 378 48.221 126.122 6, .789 1. .00 24, .70 0

ATOM 4206 N ILE A 379 49.506 124.459 7, .544 1. .00 23, .71 N

ATOM 4208 CA ILE A 379 50.152 125.263 8, .557 1. .00 23, .49 c

ATOM 4210 CB ILE A 379 51.102 124.382 9, .378 1. .00 23, .31 c

ATOM 4212 CGI ILE A 379 50.295 123.470 10. .295 1. .00 24, .15 c

ATOM 4215 GDI ILE A 379 51.106 122.302 10, .863 1. .00 25, .04 c

ATOM 4219 CG2 ILE A 379 52.046 125.252 10, .210 1. .00 22, .81 c

ATOM 4223 C ILE A 379 50.906 126.445 7, .942 1. .00 23, .79 c

ATOM 4224 O ILE A 379 50.868 127.541 8, .460 1. .00 22, .85 0

ATOM 4225 N ALA A 380 51.561 126.223 6, .815 1. .00 24, .61 N

ATOM 4227 CA ALA A 380 52.361 127.281 6, .188 1. .00 24, .68 c

ATOM 4229 CB ALA A 380 53.384 126.650 5, .241 1. .00 25, .25 c

ATOM 4233 C ALA A 380 51.556 128.335 5, .423 1, .00 25, .04 c

ATOM 4234 O ALA A 380 52.088 129.385 5, .131 1. .00 24, .75 0

ATOM 4235 N HIS A 381 50.303 128.040 5, .081 1, .00 25, .60 N

ATOM 4237 CA HIS A 381 49.463 128.966 4, .320 1, .00 25, .65 c

ATOM 4239 CB HIS A 381 48.952 128 ,252 3, .065 1. .00 26. .13 C

ATOM 4242 CG HIS A 381 50.022 128.038 2. .036 1. .00 29. .58 C

ATOM 4243 NDl HIS A 381 50.870 126 ,949 2. .058 1. .00 33. .42 N

ATOM 4245 CEl HIS A 381 51.737 127 ,048 1. .064 1. .00 34. .51 C ATOM 4247 NE2 HIS A 381 51.476 128 ,155 0..390 1.,00 36..54 N

ATOM 4249 CD2 HIS A 381 50.418 128.801 0. .987 1. ,00 33. .69 C

ATOM 4251 C HIS A 381 48.281 129.589 5. .092 1. .00 24. .07 C

ATOM 4252 O HIS A 381 47.823 130.649 4. .742 1. .00 23. .99 O

ATOM 4253 N ASN A 382 47.810 128.938 6. .141 1. .00 22. .38 N

ATOM 4255 CA ASN A 382 46.629 129.400 6. .888 1. .00 20. .83 C

ATOM 4257 CB ASN A 382 45.562 128.296 6. .800 1. .00 19. .77 C

ATOM 4260 CG ASN A 382 44.276 128.613 7. .563 1. .00 19. .62 C

ATOM 4261 OD1 ASN A 382 44.296 129.304 8. .591 1. .00 19. .19 O

ATOM 4262 ND2 ASN A 382 43.131 128.136 7. .024 1. .00 15. .57 N

ATOM 4265 C ASN A 382 47.029 129.711 8. .334 1. .00 20. .09 C

ATOM 4266 O ASN A 382 47.342 128.792 9. .111 1. .00 19, .34 O

ATOM 4267 N ASP A 383 47.051 130.991 8. .691 1. .00 19. .62 N

ATOM 4269 CA ASP A 383 47.466 131.412 10. .029 1. .00 19, .90 C

ATOM 4271 CB ASP A 383 47.615 132.914 10. .092 1. .00 19. .54 C

ATOM 4274 CG ASP A 383 48.877 133.400 9, .402 1. .00 20. .31 C

ATOM 4275 OD1 ASP A 383 49.800 132.605 9. .169 1. .00 25, .09 O

ATOM 4276 OD2 ASP A 383 49.045 134.557 9. .044 1. .00 18, .08 O

ATOM 4277 C ASP A 383 46.556 130.912 11, .177 1. .00 20, .17 C

ATOM 4278 O ASP A 383 47.039 130.716 12. .309 1. .00 20, .44 O

ATOM 4279 N LEU A 384 45.275 130.703 10. .889 1. .00 19. .94 N

ATOM 4281 CA LEU A 384 44.347 130.167 11. .885 1. .00 20. .13 C

ATOM 4283 CB LEU A 384 42.912 130.340 11. .442 1. .00 20. .52 C

ATOM 4286 CG LEU A 384 41.836 129.849 12. .418 1. .00 21. .18 C

ATOM 4288 CDI LEU A 384 41.915 130.579 13. .736 1. .00 21. .15 C

ATOM 4292 CD2 LEU A 384 40.461 130.054 11, .791 1. .00 21. .73 c

ATOM 4296 C LEU A 384 44.685 128.707 12, .135 1. .00 20. .61 c

ATOM 4297 O LEU A 384 44.733 128.251 13, .289 1. .00 20. .81 0

ATOM 4298 N SER A 385 44.970 127.973 11, .058 1. .00 19, .88 N

ATOM 4300 CA SER A 385 45.363 126.590 11, .190 1. .00 20. .00 c

ATOM 4302 CB SER A 385 45.361 125.892 9, .835 1. .00 20, .14 C

ATOM 4305 OG SER A 385 44.071 125.949 9, .262 1. .00 19, .42 O

ATOM 4307 C SER A 385 46.743 126.491 11, .873 1. .00 20, .53 C

ATOM 4308 O SER A 385 46.989 125.565 12. .654 1. .00 20, .05 O

ATOM 4309 N TYR A 386 47.627 127.443 11. .583 1. .00 20, .68 N

ATOM 4311 CA TYR A 386 48.938 127.504 12, .217 1. .00 21, .65 C

ATOM 4313 CB TYR A 386 49.723 128.757 11, .762 1. .00 21, .60 C

ATOM 4316 CG TYR A 386 51.061 128.964 12. .440 1. .00 21, .46 C

ATOM 4317 CDI TYR A 386 52.237 128.659 11, .794 1. .00 22, .94 C

ATOM 4319 CEl TYR A 386 53.463 128.861 12, .398 1. .00 23, .52 C

ATOM 4321 CZ TYR A 386 53.510 129.387 13. .670 1. .00 24, .78 C

ATOM 4322 OH TYR A 386 54.719 129.582 14. .275 1. .00 25, .12 O

ATOM 4324 CE2 TYR A 386 52.352 129.727 14, .327 1. .00 24. .67 C

ATOM 4326 CD2 TYR A 386 51.141 129.519 13, .709 1. .00 23, .68 C

ATOM 4328 C TYR A 386 48.759 127.503 13, .739 1. .00 22, .27 C

ATOM 4329 O TYR A 386 49.365 126.700 14. .440 1. .00 23, .27 0

ATOM 4330 N GLU A 387 47.907 128.384 14, .238 1. .00 23, .34 N

ATOM 4332 CA GLU A 387 47.692 128.524 15, .670 1. .00 23, .16 C

ATOM 4334 CB GLU A 387 46.864 129.771 15, .964 1. .00 24, .13 C

ATOM 4337 CG GLU A 387 46.614 130.032 17, .446 1. .00 26, .49 C

ATOM 4340 CD GLU A 387 45.608 131.150 17, .673 1. .00 31. .56 c

ATOM 4341 OEl GLU A 387 44.551 131.173 17, .002 1. .00 37. .26 0

ATOM 4342 OE2 GLU A 387 45.862 132.004 18, .521 1. .00 33. .58 0

ATOM 4343 C GLU A 387 47.048 127.273 16, .266 1. .00 23. .43 c

ATOM 4344 O GLU A 387 47.539 126.721 17, .249 1. .00 22. .67 0

ATOM 4345 N ARG A 388 45.972 126.813 15. .652 1. .00 23. .04 N

ATOM 4347 CA ARG A 388 45.267 125.647 16. .137 1. .00 23. .14 C ATOM 4349 CB ARG A 388 44.018 125.419 15..319 1.,00 22.,86 C

ATOM 4352 CG ARG A 388 43.017 126.498 15. .553 1. ,00 24. .89 C

ATOM 4355 CD ARG A 388 41.842 126.393 14. .642 1. .00 25. .08 C

ATOM 4358 NE ARG A 388 40.824 127.352 15. .019 1. ,00 27. .27 N

ATOM 4360 CZ ARG A 388 39.720 127.550 14. .336 1. .00 25. .90 C

ATOM 4361 NHl ARG A 388 39.518 126.864 13, .224 1. .00 25. .65 N

ATOM 4364 NH2 ARG A 388 38.846 128.444 14. .747 1. .00 25. .24 N

ATOM 4367 C ARG A 388 46.138 124.408 16. .128 1. .00 22. .97 C

ATOM 4368 0 ARG A 388 46.095 123.623 17. .075 1. .00 21. .98 0

ATOM 4369 N TYR A 389 46.956 124.251 15. .090 1. .00 22. .24 N

ATOM 4371 CA TYR A 389 47.796 123.067 14, .995 1. .00 22, .81 C

ATOM 4373 CB TYR A 389 48.152 122.729 13. .556 1. .00 21. .89 c

ATOM 4376. CG TYR A 389 46.971 122.148 12. .804 1. .00 24. .58 c

ATOM 4377 CDI TYR A 389 46.184 121.166 13. .382 1. .00 27. .07 c

ATOM 4379 CEl TYR A 389 45.093 120.641 12. .730 1. .00 28. .84 c

ATOM 4381 CZ TYR A 389 44.768 121.088 11. .472 1. .00 30. .02 c

ATOM 4382 OH TYR A 389 43.682 120.528 10, .834 1. .00 34. .25 0

ATOM 4384 CE2 TYR A 389 45.531 122.044 10, .857 1. .00 26. .29 c

ATOM 4386 CD2 TYR A 389 46.635 122.583 11. .531 1. .00 25. .88 c

ATOM 4388 C TYR A 389 49.026 123.160 15. .901 1. .00 22. .81 c

ATOM 4389 O TYR A 389 49.519 122.134 16, .389 1. .00 22. .98 0

ATOM 4390 N LEU A 390 49.514 124.362 16, .143 1. .00 23. .10 N

ATOM 4392 CA LEU A 390 50.596 124.515 17. .121 1. .00 23. .79 c

ATOM 4394 CB LEU A 390 51.121 125.937 17, .177 1. .00 23. .58 c

ATOM 4397 CG LEU A 390 52.557 126.077 17, .715 1. .00 26. .30 c

ATOM 4399 CDI LEU A 390 53.085 127.460 17, .481 1. .00 27. .80 c

ATOM 4403 CD2 LEU A 390 52.654 125.766 19. .150 1. .00 29. .14 c

ATOM 4407 C LEU A 390 50.067 124.043 18, .493 1. .00 23. .58 c

ATOM 4408 O LEU A 390 50.733 123.282 19, .192 1. .00 23. .72 0

ATOM 4409 N LYS A 391 48.860 124.474 18, .863 1. .00 23, .24 N

ATOM 4411 CA LYS A 391 48.255 124.054 20, .121 1. .00 23. .34 C

ATOM 4413 CB LYS A 391 46.945 124, 801 20, .379 1. .00 23. .77 C

ATOM 4416 CG LYS A 391 47.153 126.264 20, .783 1. .00 27. .10 C

ATOM 4419 CD LYS A 391 45.783 126.963 20 .965 1. .00 32, .21 c

ATOM 4422 CE LYS A 391 45.904 128.424 21, .349 1. .00 35. .32 c

ATOM 4425 NZ LYS A 391 44.581 129.148 21, .221 1. .00 37. .23 N

ATOM 4429 C LYS A 391 48.001 122.546 20, .123 1. .00 22. .60 C

ATOM 4430 o LYS A 391 48.296 121, 873 21, .107 1. .00 21, .68 o

ATOM 4431 N GLU A 392 47.456 122.019 19, .029 1. .00 21. .56 N

ATOM 4433 CA GLU A 392 47.210 120.595 18, .927 1. .00 22. .65 C

ATOM 4435 CB GLU A 392 46.570 120, 213 17, .596 1. .00 23. .21 C

ATOM 4438 CG GLU A 392 45.154 119.736 17, .715 1. .00 27. .94 C

ATOM 4441 CD GLU A 392 44.568 119.218 16, .427 1. .00 28. .47 c

ATOM 4442 OEl GLU A 392 45.044 118, 180 15, .901 1. .00 30, .73 o

ATOM 4443 OE2 GLU A 392 43.574 119, 810 16 .003 1, .00 31, .27 0

ATOM 4444 C GLU A 392 48.489 119.767 19, .105 1. .00 21. .69 c

ATOM 4445 O GLU A 392 48.513 118.832 19, .913 1. .00 21. .07 o

ATOM 4446 N LEU A 393 49.520 120, 090 18 .329 1. .00 20. .91 N

ATOM 4448 CA LEU A 393 50.757 119, 328 18 .367 1, .00 20, .84 C

ATOM 4450 CB LEU A 393 51.698 119.724 17, .228 1. .00 21. .21 C

ATOM 4453 CG LEU A 393 51.587 118.939 15, .912 1. .00 20. .55 C

ATOM 4455 CDI LEU A 393 52.069 117, 503 16 .078 1. .00 22. .85 C

ATOM 4459 CD2 LEU A 393 50.206 118, 963 15 .345 1, .00 21, .92 c

ATOM 4463 C LEU A 393 51.411 119.455 19, .743 1. .00 21. .76 c

ATOM 4464 O LEU A 393 52.027 118.509 20, .231 1. .00 21. .23 0

ATOM 4465 N SER A 394 51.246 120, 610 20, .379 1. .00 21. .97 N

ATOM 4467 CA SER A 394 51.754 120, 803 21 .728 1. .00 22. .72 C ATOM 4469 CB SER A 394 51.552 122 238 22..209 1.,00 22,.23 C

ATOM 4472 OG SER A 394 52.303 123 095 21. .378 1. ,00 27, .63 0

ATOM 4474 C SER A 394 51.042 119 843 22. .666 1. .00 22, .30 C

ATOM 4475 O SER A 394 51.693 119 231 23. .500 1. .00 21, .87 0

ATOM 4476 N HIS A 395 49.715 119 726 22. .550 1. .00 22, .48 N

ATOM 4478 CA HIS A 395 48.968 118 751 23. .356 1. .00 22, .95 C

ATOM 4480 CB HIS A 395 47.470 118 859 23. .114 1. .00 23, .41 C

ATOM 4483 CG HIS A 395 46.655 117 940 23. .968 1. .00 25, .09 C

ATOM 4484 NDl HIS A 395 46.585 118 071 25. .340 1. .00 30, .19 N

ATOM 4486 CEl HIS A 395 45.790 117 141 25. .829 1. .00 27, .11 C

ATOM 4488 NE2 HIS A 395 45.381 116 383 24. .830 1. .00 29, .26 N

ATOM 4490 CD2 HIS A 395 45.891 116 873 23. .655 1. .00 25, .66 C

ATOM 4492 C HIS A 395 49.414 117 316 23. .040 1. .00 23, .19 C

ATOM 4493 O HIS A 395 49.649 116 495 23. .958 1. .00 22, .97 0

ATOM 4494 N ASP A 396 49.506 116 995 21. .747 1. .00 22, .50 N

ATOM 4496 CA ASP A 396 49.945 115 665 21. .340 1. .00 22, .32 C

ATOM 4498 CB ASP A 396 50.133 115 578 19. .833 1. .00 22, .87 C

ATOM 4501 CG ASP A 396 48.856 115 849 19. .041 1. .00 24, .28 C

ATOM 4502 OD1 ASP A 396 47.744 115 580 19. .528 1. .00 23, .28 0

ATOM 4503 OD2 ASP A 396 48.911 116 320 17. .887 1. .00 24, .85 0

ATOM 4504 C ASP A 396 51.290 115 295 22. .003 1. .00 21, .65 C

ATOM 4505 O ASP A 396 51.446 114 192 22. .520 1. .00 21, .36 0

ATOM 4506 N ILE A 397 52.268 116 192 21. .907 1. .00 21, .97 N

ATOM 4508 CA ILE A 397 53.592 115 965 22. .495 1. .00 22, .42 C

ATOM 4510 CB ILE A 397 54.570 117 075 22. .091 1. .00 22, .86 C

ATOM 4512 CGI ILE A 397 54.876 116 938 20. .603 1. .00 21, .48 C

ATOM 4515 CDI ILE A 397 55.603 118 083 20. .018 1. .00 21, .08 c

ATOM 4519 CG2 ILE A 397 55.877 117 002 22. .927 1. .00 22, .81 c

ATOM 4523 C ILE A 397 53.482 115 797 24. .021 1. .00 22, .99 c

ATOM 4524 O ILE A 397 54.128 114 907 24, .593 1. .00 21, .51 0

ATOM 4525 N SER A 398 52.606 116 595 24, .653 1. .00 23, .47 N

ATOM 4527 CA SER A 398 52.368 116 490 26. .099 1. .00 23, .84 C

ATOM 4529 CB SER A 398 51.390 117 577 26. .589 1. .00 24, .20 C

ATOM 4532 OG SER A 398 50.055 117 129 26. .485 1. .00 24, .33 0

ATOM 4534 C SER A 398 51.847 115 127 26. .508 1. .00 23, .85 c

ATOM 4535 O SER .A 398 52.063 114 693 27. .639 1. .00 23, .72 0

ATOM 4536 N LEU A 399 51.135 114 454 25. .613 1. .00 24, .00 N

ATOM 4538 CA LEU A 399 50.606 113 135 25. .886 1. .00 24. .10 C

ATOM 4540 CB LEU A 399 49.461 112 824 24, .915 1. .00 25. .01 C

ATOM 4543 CG LEU A 399 48.129 113 567 25, .060 1. .00 25. .05 C

ATOM 4545 CDI LEU A 399 47.244 113 135 23, .903 1. .00 25. .96 C

ATOM 4549 CD2 LEU A 399 47.458 113 286 26, .409 1. .00 27, .25 C

ATOM 4553 C LEU A 399 51.646 112 003 25, .774 1. .00 24. .76 C

ATOM 4554 O LEU A 399 51.379 110 869 26. .177 1. .00 23. .67 O

ATOM 4555 N MSE A 400 52.819 112 277 25. .213 1. .00 24. .45 N

ATOM 4557 CA MSE A 400 53.789 111 194 25, .007 1. .00 25. .29 C

ATOM 4559 CB MSE A 400 54.852 111 605 23, .992 1. .00 24. .62 C

ATOM 4562 CG MSE A 400 54.253 111 913 22, .640 1. .00 23. .58 C

ATOM 4565 SE MSE A 400 55.565 112 681 21, .466 1. .00 26. .01 SE

ATOM 4566 CE MSE A 400 56.570 111 014 20, .992 1. .00 24. .26 C

ATOM 4570 C MSE A 400 54.451 110 809 26, .330 1. .00 26. .46 c

ATOM 4571 O MSE A 400 54.992 111 658 27, .021 1. .00 26. .38 0

ATOM 4572 N LYS A 401 54.451 109 527 26. .637 1. .00 28. .25 N

ATOM 4574 CA LYS A 401 55.008 109 039 27. .913 1. .00 29. .93 C

ATOM 4576 CB LYS A 401 54.364 107 719 28. .274 1. .00 30. .96 C

ATOM 4579 CG LYS A 401 52.861 107 790 28. .452 1. .00 34. .40 C

ATOM 4582 CD LYS A 401 52.464 108 762 29. .524 1. ,00 38. .15 C ATOM 4585 CE LYS A 401 50..962 108..630 29..831 1..00 40..93 C

ATOM 4588 NZ LYS A 401 50. .488 107. .223 29. .979 1. .00 42. .74 N

ATOM 4592 C LYS A 401 56. .527 108. .860 27. .913 1. .00 30. .01 C

ATOM 4593 O LYS A 401 57. .158 108. .861 28. .966 1. .00 31. .50 O

ATOM 4594 N SER A 402 57. .128 108. .706 26. .744 1. .00 29. .11 N

ATOM 4596 CA SER A 402 58. .579 108. .578 26. .670 1. .00 27, .86 C

ATOM 4598 CB SER A 402 58. .965 107. .845 25. .364 1. .00 28. .01 C

ATOM 4601 OG SER A 402 60. .340 107. .982 25. .059 1. .00 25. .67 O

ATOM 4603 C SER A 402 59. .210 109. .957 26. .729 1. .00 27. .18 C

ATOM 4604 O SER A 402 58. .999 110. .764 25. .834 1. .00 26. .34 o

ATOM 4605 N SER A 403 59. .983 110. .251 27, .773 1. .00 26, .61 N

ATOM 4607 CA SER A 403 60. .647 111. .540 27. .851 1. .00 26. .95 C

ATOM 4609 CB SER A 403 61, .383 111. .736 29, .183 1. .00 27. .55 C

ATOM 4612 OG SER A 403 62. .298 110. .664 29. .401 1. .00 30. .90 O

ATOM 4614 C SER A 403 61, .617 111. .672 26, .676 1. .00 26, .10 C

ATOM 4615 O SER A 403 61. .743 112. .739 26, .071 1. .00 25. .30 O

ATOM 4616 N ILE A 404 62. .276 110. .578 26, .315 1. .00 25. .16 N

ATOM 4618 CA ILE A 404 63, .223 110. .610 25, .198 1. .00 24, .60 C

ATOM 4620 CB ILE A 404 63, .941 109. .273 25. .095 1. .00 24. .11 C

ATOM 4622 CGI ILE A 404 64, .951 109. .144 26. .228 1. .00 25. .42 C

ATOM 4625 CDI ILE A 404 65. .409 107. .749 26, .433 1. .00 25. .51 C

ATOM 4629 CG2 ILE A 404 64. .658 109. .158 23, .748 1. .00 24. .20 C

ATOM 4633 C ILE A 404 62, .537 110. .928 23, .844 1. .00 24, .28 c

ATOM 4634 O ILE A 404 62, .988 111. .784 23. .100 1. .00 24. .30 o

ATOM 4635 N LEU A 405 61, .480 110. .215 23, .518 1. .00 24. .51 N

ATOM 4637 CA LEU A 405 60, .795 110. .461 22. .252 1. .00 25. .17 c

ATOM 4639 CB LEU A 405 59, .909 109. .291 21. .861 1. .00 25. .09 C

ATOM 4642 CG LEU A 405 60 .785 108, .168 21, .263 1. .00 27, .99 C

ATOM 4644 CDI LEU A 405 59, .994 107. .115 20, .637 1. .00 28. .81 C

ATOM 4648 CD2 LEU A 405 61 .803 108, .730 20, .239 1. .00 29, .94 C

ATOM 4652 C LEU A 405 60, .059 111. .816 22. .270 1. .00 25. .02 C

ATOM 4653 O LEU A 405 59 .967 112. .497 21, .227 1. .00 24, .93 o

ATOM 4654 N GLN A 406 59 .581 112, .235 23, .446 1. .00 24, .46 N

ATOM 4656 CA GLN A 406 58 .936 113, .551 23, .594 1. .00 25, .25 C

ATOM 4658 CB GLN A 406 58 .456 113, .755 25, .036 1. .00 25, .36 C

ATOM 4661 CG GLN A 406 57, .474 114, .875 25, .208 1. .00 26. .84 C

ATOM 4664 CD GLN A 406 57 .022 115, .038 26, .646 1. .00 28, .73 C

ATOM 4665 OEl GLN A 406 57 .854 115, .160 27 .535 1, .00 30, .17 O

ATOM 4666 NE2 GLN A 406 55, .715 115, .024 26, .876 1. .00 26, .75 N

ATOM 4669 c . GLN A 406 59 .923 114, .663 23, .192 1. .00 25, .26 C

ATOM 4670 O GLN A 406 59, .632 115. .544 22. .374 1. .00 24, .16 O

ATOM 4671 N GLN A 407 61 .132 114, .585 23, .723 1. .00 25, .67 N

ATOM 4673 CA GLN A 407 62 .127 115, .589 23, .381 1, .00 26, .43 C

ATOM 4675 CB GLN A 407 63, .381 115, .445 24, .250 1. .00 27, .14 C

ATOM 4678 CG GLN A 407 63 .406 116, .485 25, .344 1, .00 33, .40 C

ATOM 4681 CD GLN A 407 64, .099 117, .759 24, .947 1. .00 39, .67 C

ATOM 4682 OEl GLN A 407 65 .257 117, .733 24, .506 1, .00 47, .39 O

ATOM 4683 NE2 GLN A 407 63 .419 118 .889 25 .130 1, .00 43, .83 N

ATOM 4686 C GLN A 407 62 .477 115, .534 21, .893 1, .00 25, .17 C

ATOM 4687 O GLN A 407 62 .654 116, .568 21, .258 1, .00 25, .05 O

ATOM 4688 N LYS A 408 62, .565 114, .341 21, .337 1. .00 24, .90 N

ATOM 4690 CA LYS A 408 62 .853 114, .227 19, .908 1, .00 25, .34 C

ATOM 4692 CB LYS A 408 63 .110 112 .788 19 .496 1, .00 25, .20 C

ATOM 4695 CG LYS A 408 63, .666 112, .743 18, .073 1. .00 26, .36 C

ATOM 4698 CD LYS A 408 63 .947 111, .372 17, .549 1, .00 27, .08 c

ATOM 4701 CE LYS A 408 64, .696 111, .503 16. .166 1. .00 27. .92 C

ATOM 4704 NZ LYS A 408 63, .812 111, .853 15, .007 1. .00 25, .66 N ATOM 4708 C LYS A 408 61..720 114..84.8 19..052 1..00 24..84 C

ATOM 4709 O LYS A 408 61. .974 115. ,598 18. ,098 1. .00 25. .28 O

ATOM 4710 N ALA A 409 60. .480 114. .543 19. .403 1. .00 24. .61 N

ATOM 4712 CA ALA A 409 59. .326 115. .101 18. .702 1. .00 24. .38 C

ATOM 4714 CB ALA A 409 58. .017 114. .578 19. .332 1. .00 24. .94 C

ATOM 4718 C ALA A 409 59. .375 116. .627 18. .731 1. .00 24. .42 C

ATOM 4719 O ALA A 409 59. .087 117. .277 17. .718 1. .00 24. .25 O

ATOM 4720 N ILE A 410 59. .741 117. .205 19. .872 1. .00 24. .32 N

ATOM 4722 CA ILE A 410 59. .820 118. .664 19. .977 1. .00 25. .28 C

ATOM 4724 CB ILE A 410 60. .203 119. .107 21. .394 1. .00 25. .56 C

ATOM 4726 CGI ILE A 410 59. .022 118. .914 22. .328 1. .00 26. .91 C

ATOM 4729 CDI ILE A 410 59. .375 119. .038 23. .792 1. .00 28. .02 c

ATOM 4733 CG2 ILE A 410 60. .644 120. .562 21. .410 1. .00 27. .45 c

ATOM 4737 C ILE A 410 60, .819 119. .173 18. .934 1. .00 25. .32 c

ATOM 4738 O ILE A 410 60. .534 120. .121 18. .179 1. .00 24. .86 0

ATOM 4739 N ASN A 411 61. .974 118. .519 18. .864 1. .00 25, .39 N

ATOM 4741 CA ASN A 411 62, .985 118. .883 17, .881 1. .00 26, .01 C

ATOM 4743 CB ASN A 411 64. .258 118. .058 18. .069 1. .00 26. .66 C

ATOM 4746 CG ASN A 411 65. .114 118. .555 19. .238 1. .00 30. .28 C

ATOM 4747 OD1 ASN A 411 65, .008 119. .708 19. .657 1. .00 34, .19 O

ATOM 4748 ND2 ASN A 411 65. .961 117. .682 19. .761 1. .00 34. .33 N

ATOM 4751 C ASN A 411 62. .488 118. .716 16. .444 1. .00 25. .36 C

ATOM 4752 O ASN A 411 62, .777 119, .544 15, .592 1. .00 24, .33 O

ATOM 4753 N ASP A 412 61, .756 117. .639 16, .176 1. .00 24, .59 N

ATOM 4755 CA ASP A 412 61, .279 117. .357 14. .833 1. .00 24. .28 C

ATOM 4757 CB ASP A 412 60, .875 115, .890 14, .716 1. .00 24, .36 C

ATOM 4760 CG ASP A 412 62, .065 114, .948 14, .728 1. .00 26, .96 C

ATOM 4761 OD1 ASP A 412 63, .165 115, .386 14. .334 1. .00 28. .01 O

ATOM 4762 OD2 ASP A 412 62. .000 113, .774 15. .150 1. .00 26, .71 O

ATOM 4763 C ASP A 412 60, .092 118, .219 14. .393 1. .00 23, .95 C

ATOM 4764 O ASP A 412 59. .956 118, .521 13. .198 1. .00 22. .88 O

ATOM 4765 N VAL A 413 59, .234 118, .584 15, .347 1. .00 23, .08 N

ATOM 4767 CA VAL A 413 57, .998 119, .284 15, .047 1. .00 22, .69 C

ATOM 4769 CB VAL A 413 56, .905 118, .960 16. .093 1. .00 21. .88 C

ATOM 4771 CGI VAL A 413 55, .697 119, .895 15. .935 1. .00 23. .43 C

ATOM 4775 CG2 VAL A 413 56, .463 117, .511 15, .951 1, .00 22, .48 c

ATOM 4779 C VAL A 413 58 .205 120 .796 14, .936 1, .00 23, .41 c

ATOM 4780 O VAL A 413 57, .631 121, .439 14, .068 1. .00 22, .53 o

ATOM 4781 N ALA A 414 59, .050 121, .356 15, .798 1, .00 23, .82 N

ATOM 4783 CA ALA A 414 59 .279 122 .809 15, .829 1, .00 24, .63 C

ATOM 4785 CB ALA A 414 60, .411 123, .117 16. .809 1. .00 24. .81 C

ATOM 4789 C ALA A 414 59, .530 123, .508 14. .462 1. .00 25, .06 C

ATOM 4790 O ALA A 414 58 .938 124 .546 14, .184 1, .00 25, .82 O

ATOM 4791 N PRO A 415 60, .389 122, .954 13, .605 1. .00 25, .54 N

ATOM 4792 CA PRO A 415 60, .662 123, .560 12, .303 1. .00 25, .79 C

ATOM 4794 CB PRO A 415 61, .603 122 .548 11, .644 1, .00 26, .30 C

ATOM 4797 CG PRO A 415 62, .256 121, .889 12. .741 1, .00 27. .03 C

ATOM 4800 CD PRO A 415 61, .192 121, .743 13, .809 1. .00 25, .82 C

ATOM 4803 C PRO A 415 59 .435 123, .731 11, .413 1, .00 25, .63 C

ATOM 4804 O PRO A 415 59 .402 124 .652 10, .601 1, .00 24, .58 o

ATOM 4805 N PHE A 416 58, .444 122, .861 11, .549 1. .00 24, .42 N

ATOM 4807 CA PHE A 416 57, .228 123, .009 10, .761 1, .00 24, .40 C

ATOM 4809 CB PHE A 416 56 .329 121, .775 10, .937 1, .00 23, .81 C

ATOM 4812 CG PHE A 416 56, .858 120, .548 10. .251 1. .00 23. .95 C

ATOM 4813 CDI PHE A 416 56, .455 120, .230 8. .977 1. .00 23, .77 C

ATOM 4815 CEl PHE A 416 56 .945 119, .092 8, .333 1. .00 25, .18 c

ATOM 4817 CZ PHE A 416 57, .858 118, .277 8. .971 1. .00 24. .86 c ATOM 4819 CE2 PHE A 416 58.287 118.604 10.237 1,.00 23.75 C

ATOM 4821 CD2 PHE A 416 57.780 119.726 10, .881 1. .00 23, .34 C

ATOM 4823 C PHE A 416 56.459 124.304 11 .114 1. .00 23 .68 C

ATOM 4824 O PHE A 416 55.633 124.768 10 .336 1, .00 2 .00 O

ATOM 4825 N PHE A 417 56.695 124.845 12, .295 1. .00 24 .09 N

ATOM 4827 CA PHE A 417 56.069 126.090 12 .719 1. .00 25 .07 C

ATOM 4829 CB PHE A 417 55.507 125.943 14 .116 1, .00 25 .07 C

ATOM 4832 CG PHE A 417 54.402 124.948 14, .209 1. .00 23, .31 C

ATOM 4833 CDI PHE A 417 53.105 125.300 13 .858 1. .00 23 .48 C

ATOM 4835 CEl PHE A 417 52.079 124.373 13 .918 1. .00 20 .45 c

ATOM 4837 CZ PHE A 417 52.340 123.083 14, .337 1, .00 22 .34 c

ATOM 4839 CE2 PHE A 417 53.620 122.718 14, .699 1. .00 21, .73 c

ATOM 4841 CD2 PHE A 417 54.655 123.643 14 .625 1. .00 22 .38 c

ATOM 4843 C PHE A 417 57.052 127.259 12 .709 1, .00 26 .89 c

ATOM 4844 O PHE A 417 56.691 128.371 13, .073 1. .00 27, .31 0

ATOM 4845 N ASN A 418 58.287 126.993 12 .311 1. .00 28, .64 N

ATOM 4847 CA ASN A 418 59.331 128.020 12 .270 1. .00 30 .56 C

ATOM 4849 CB ASN A 418 58.978 129.144 11, .270 1. .00 30, .79 C

ATOM 4852 CG ASN A 418 60.140 130.107 11. .030 1. .00 34, .32 C

ATOM 4853 OD1 ASN A 418 61.308 129.750 11. .214 1. .00 34 .28 0

ATOM 4854 ND2 ASN A 418 59.817 131.346 10, .624 1. .00 34, .63 N

ATOM 4857 C ASN A 418 59.549 128.597 13, .650 1. .00 31, .31 C

ATOM 4858 O ASN A 418 59.624 129.814 13 .811 1. .00 32, .43 O

ATOM 4859 N VAL A 419 59.566 127.732 14, .661 1. .00 31, .49 N

ATOM 4861 .CA VAL A 419 59.852 128.158 16, .024 1. .00 31, .19 C

ATOM 4863 CB VAL A 419 58.680 128.000 17, .006 1. .00 31, .65 C

ATOM 4865 CGI VAL A 419 57.542 128.922 16 .653 1. .00 32, .93 c

ATOM 4869 CG2 VAL A 419 58.210 126.538 17, .084 1. .00 32, .36 c

ATOM 4873 C VAL A 419 60.998 127.298 16, .501 1. .00 31, .31 c

ATOM 4874 O VAL A 419 61.287 126.244 15 .919 1. .00 31, .26 0

ATOM 4875 N SER A 420 61.656 127.731 17, .569 1. .00 31. .24 N

ATOM 4877 CA SER A 420 62.772 126.973 18, .097 1. .00 31. .23 C

ATOM 4879 CB SER A 420 63.664 127.875 18, .950 1. .00 30, .64 C

ATOM 4882 OG SER A 420 63.040 128.135 20, .193 1. .00 30. .02 O

ATOM 4884 C SER A 420 62.225 125.861 18, .973 1. .00 31. .68 C

ATOM 4885 O SER A 420 61.123 125.971 19, .486 1. .00 32, .21 o

ATOM 4886 N PRO A 421 62.995 124.798 19, .147 1. .00 32. .97 N

ATOM 4887 CA PRO A 421 62.637 123.736 20, .084 1. .00 33. .77 C

ATOM 4889 CB PRO A 421 63.892 122.887 20, .126 1. .00 34. .12 C

ATOM 4892 CG PRO A 421 64.531 123.095 18, .799 1. .00 34, .12 c

ATOM 4895 CD PRO A 421 64.247 124.501 18, .438 1. .00 33. .29 c

ATOM 4898 C PRO A 421 62.322 124.302 21, .453 1. .00 34. .34 c

ATOM 4899 O PRO A 421 61.359 123.855 22, .067 1. .00 33. .69 0

ATOM 4900 N GLU A 422 63.096 125.288 21. .922 1. .00 35, .20 N

ATOM 4902 CA GLU A 422 62.804 125.912 23, .212 1. .00 35, .98 C

ATOM 4904 CB GLU A 422 63.784 127.040 23, .586 1. .00 37. .18 C

ATOM 4907 CG GLU A 422 65.243 126.791 23. .275 1. .00 40. .54 C

ATOM 4910 CD GLU A 422 66.041 128.093 23. .284 1. .00 45. .56 C

ATOM 4-911 OEl GLU A 422 66.636 128.452 22, .228 1. .00 47. .65 O

ATOM 4912 OE2 GLU A 422 66.057 128.773 24, .346 1. .00 48. .98 0

ATOM 4913 C GLU A 422 61.417 126.504 23. .230 1. .00 35. .08 C

ATOM 4914 O GLU A 422 60.695 126.324 24, .185 1. .00 35. .22 0

ATOM 4915 N GLN A 423 61.063 127.257 22. .196 1. .00 35. .34 N

ATOM 4917 CA GLN A 423 59.731 127.875 22. .121 1. .00 35. .22 C

ATOM 4919 CB GLN A 423 59.605 128.733 20. .862 1. ,00 36. .03 C

ATOM 4922 CG GLN A 423 60.480 129.994 20. .868 1. ,00 38. .70 c

ATOM 4925 CD GLN A 423 60.497 130.719 19. .526 1. 00 42. 53 c ATOM 4926 OEl GLN A 423 61..111 130..248 18..566 1.,00 43..35 O

ATOM 4927 NE2 GLN A 423 59. .847 131. .887 19. .467 1. ,00 46. .67 N

ATOM 4930 C GLN A 423 58. .622 126. .817 22. .128 1. 00 34. .46 C

ATOM 4931 O GLN A 423 57. .580 126. .996 22. .751 1. ,00 34. .37 O

ATOM 4932 N LEU A 424 58. .835 125. .714 21. .418 1. ,00 33. .67 N

ATOM 4934 CA LEU A 424 57. .816 124. .660 21. .380 1. ,00 32. .49 C

ATOM 4936 CB LEU A 424 58, .154 123. .623 20. .302 1. ,00 31. .77 C

ATOM 4939 CG LEU A 424 57, .146 122. .484 20. .145 1. .00 28. .74 C

ATOM 4941 CDI LEU A 424 55, .729 123. .027 20, .086 1. .00 29, .05 C

ATOM 4945 CD2 LEU A 424 57, .471 121. .661 18, .917 1. .00 26, .50 C

ATOM 4949 C LEU A 424 57, .704 124. .003 22, .757 1. .00 33, .14 C

ATOM 4950 O LEU A 424 56, .608 123. .755 23. .264 1. .00 32. .19 O

ATOM 4951 N ALA A 425 58, .847 123. .732 23. .373 1. .00 34. .41 N

ATOM 4953 CA ALA A 425 58, .851 123. .135 24. .704 1. .00 35, .63 C

ATOM 4955 CB ALA A 425 60, .286 122. .901 25. .189 1. .00 35, .73 C

ATOM 4959 C ALA A 425 58, .075 123. .998 25. .699 1. .00 36, .87 C

ATOM 4960 O ALA A 425 57, .380 123. .478 26, .566 1. .00 37, .53 O

ATOM 4961 N ASN A 426 58 .200 125. .314 25, .570 1. .00 38, .35 N

ATOM 4963 CA ASN A 426 57, .532 126. .244 26, .476 1. .00 39, .41 C

ATOM 4965 CB ASN A 426 58, .076 127. .665 26. .293 1. .00 40. .04 C

ATOM 4968 CG ASN A 426 59, .432 127. .877 26. .968 1. .00 43. .09 C

ATOM 4969 OD1 ASN A 426 59, .977 126. .972 27. .610 1. .00 47. .11 O

ATOM 4970 ND2 ASN A 426 59, .985 129. .084 26, .820 1. .00 45. .98 N

ATOM 4973 C ASN A 426 56, .016 126. .217 26, .274 1. .00 39. .15 C

ATOM 4974 O ASN A 426 55 .253 126, .370 27, .222 1. .00 39. .07 O

ATOM 4975 N GLU A 427 55 .585 126, .000 25, .035 1. .00 38, .94 N

ATOM 4977 CA GLU A 427 54 .168 125, .934 24, .731 1. .00 38, .54 C

ATOM 4979 CB GLU A 427 53 .945 126, .016 23, .216 1. .00 38, .77 C

ATOM 4982 CG GLU A 427 52, .486 126. .154 22, .806 1. .00 38. .84 C

ATOM 4985 CD GLU A 427 51, .855 127. .471 23, .237 1. .00 39. .13 c

ATOM 4986 OEl GLU A 427 52 .515 128. .533 23, .150 1. .00 38. .69 0

ATOM 4987 OE2 GLU A 427 50 .684 127. .435 23, .656 1. .00 39. .96 0

ATOM 4988 C GLU A 427 53 .582 124, .651 25, .307 1. .00 38. .57 c

ATOM 4989 O GLU A 427 52 .404 124, .595 25, .664 1. .00 38. .62 0

ATOM 4990 N ILE A 428 54 .415 123, .623 25, .420 1. .00 38, .28 N

ATOM 4992 CA ILE A 428 53 .970 122, .341 25, .941 1. .00 38, .12 C

ATOM 4994 CB ILE A 428 54, .965 121. .252 25. .543 1. .00 37. .86 c

ATOM 4996 CGI ILE A 428 54 .856 121. .023 24, .023 1. .00 36. .67 c

ATOM 4999 CDI ILE A 428 55 .992 120, .302 23, .435 1. .00 36, .40 c

ATOM 5003 CG2 ILE A 428 54 .682 119, .971 26, .303 1. .00 37. .43 c

ATOM 5007 C ILE A 428 53 .770 122, .399 27, .452 1. .00 38, .74 c

ATOM 5008 O ILE A 428 52 .673 122, .124 27, .945 1. .00 39, .27 o

ATOM 5009 S S04 I 1 42 .780 92, .251 -2, .014 1. .00 70, .95 s

ATOM 5010 01 S04 I 1 42 .306 92, .635 -0, .696 1. .00 71, .54 0

ATOM 5011 02 S04 I 1 42 .073 93. .016 -3. .026 1. .00 72. .43 o

ATOM 5012 03 S04 I 1 44, .216 92. .451 -2, .142 1. .00 71. .13 0

ATOM 5013 04 S04 I 1 42 .470 90, .841 -2, .191 1. .00 73, .00 0

ATOM 5014 S S04 I 2 48 .015 68, .092 2, .964 1. .00 80, .19 s

ATOM 5015 01 S04 I 2 47 .093 67, .683 4, .031 1. .00 80, .19 o

ATOM 5016 02 S04 I 2 48 .250 69, .533 3, .033 1. .00 80, .19 0

ATOM 5017 03 S04 I 2 49 .278 67, .390 3, .149 1. .00 80, .19 0

ATOM 5018 04 S04 I 2 47 .491 67, .784 1, .633 1. .00 80. .19 0

ATOM 5019 NI BDN B 1 28 .043 61, .608 13, .141 1. .00 76, .78 N

ATOM 5021 C BDN B 1 27, .848 60. .455 13, .743 1. .00 76. .45 c

ATOM 5022 N2 BDN B 1 27, .646 59. .417 12, .946 1. .00 76. .33 N

ATOM 5025 Cl BDN B 1 27, .858 60. .350 15, .251 1. .00 76. .40 C

ATOM 5026 C2 BDN B 1 27, .664 59. .118 15, .859 1. .00 76. .25 c ATOM 5028 C3 BDN B 1 27..661 58..990 17..241 1..00 76..28 C

ATOM 5030 C4 BDN B 1 27. .861 60. .098 18, .044 1. .00 76. .18 C

ATOM 5032 C5 BDN B 1 28, .063 61, .337 17, .455 1. .00 76, .40 C

ATOM 5034 C6 BDN B 1 28, .061 61, .468 16, .063 1. .00 76, .30 C

ATOM 5036 NI BDN B 2 38, .484 66, .454 4, .635 1, .00 71 .49 N

ATOM 5038 C BDN B 2 38, .411 65, .494 3, .740 1, .00 71, .80 C

ATOM 5039 N2 BDN B 2 39, .365 64, .589 3, .615 1, .00 71, .73 N

ATOM 5042 Cl BDN B 2 37, .240 65, .408 2, .842 1. .00 71 .71 C

ATOM 5043 C2 BDN B 2 37, .224 64, .379 1, .931 1. .00 71, .92 C

ATOM 5045 C3 BDN B 2 36, .143 64, .258 1, .068 1, .00 71, .85 C

ATOM 5047 C4 BDN B 2 35, .108 65, .169 1, .123 1, .00 71, .87 C

ATOM 5049 C5 BDN B 2 35. .132 66. .202 2. .038 1. .00 71, .91 C

ATOM 5051 C6 BDN B 2 36. .205 66. .324 2. .913 1. .00 72, .07 c

ATOM 5053 O HOH W 1 50. .541 134. .607 7, .001 1. .00 39, .52 0

ATOM 5056 O HOH W 2 45. .359 122. .081 24. .031 1. .00 79, .44 o

ATOM 5059 O HOH W 3 66. .414 100. .505 7. .294 1. .00 68, .97 o

ATOM 5062 O HOH W 4 59. .914 112. .394 16. .193 1. .00 29. .70 o

ATOM 5065 O HOH W 5 29. .022 90. .694 -4. .252 1. .00 71. .91 0

ATOM 5068 O HOH W 6 43. .495 114. .297 25. .030 1. .00 78, .76 o

ATOM 5071 O HOH W 7 30. .734 90. .674 5, .634 1. .00 77, .36 o

ATOM 5074 O HOH W 8 44. .147 73. .420 -12, .914 1. .00 59, .76 o

ATOM 5077 O HOH W 9 41. .532 71. .714 -15, .306 1. .00 53, .00 o

ATOM 5080 0 HOH W 10 40. .654 128, .768 17. .567 1. .00 70. .03 o

ATOM 5083 0 HOH W 11 59. .853 111. .245 18, .767 1. .00 28. .90 o

ATOM 5086 0 HOH W 12 42. .972 103. .126 2, .267 1. .00 52. .99 0

ATOM 5089 0 HOH w 13 52. .029 71. .236 -3, .352 1. .00 77. .28 0

ATOM 5092 0 HOH w 14 61. .700 117. .080 27, .063 1. .00 75. .88 o

ATOM 5095 0 HOH w 15 53. .014 80. .710 -5, .845 1. .00 66. .21 0

ATOM 5098 0 HOH w 16 65. .730 112. .824 22, .821 1. .00 40. .57 0

ATOM 5101 0 HOH w 17 37. .501 84. .323 23, .928 1. .00 75. .99 o

ATOM 5104 0 HOH w 18 35. .516 77, .401 -11, .672 1. .00 76. .54 o

ATOM 5107 o HOH w 19 29. .317 82, .423 -7, .420 1. .00 78. .67 0

ATOM 5110 0 HOH w 20 66, .679 115, .287 19, .287 1. .00 68. .05 o

ATOM 5113 0 HOH w 21 56. .584 131, .598 10, .196 1. .00 65. .14 o

ATOM 5116 0 HOH w 22 54, .093 129, .860 2, .936 1. .00 77. .85 o

ATOM 5119 0 HOH w 23 61, .795 133, .654 10, .590 1. .00 58. .39 0

ATOM 5122 0 HOH w 24 64. .962 121, .016 15, .254 1. .00 49. .52 o

ATOM 5125 0 HOH w 25 54, .868 123, .852 8, .045 1. .00 40. .84 o

ATOM 5128 0 HOH w 26 53, .960 113, .539 4, .099 1. .00 77. .09 o

ATOM 5131 0 HOH w 27 53, .695 76, .209 -4, .253 1. .00 64. .52 o

ATOM 5134 0 HOH w 28 47, .298 74, .522 -9, .761 1. .00 62. .08 0

ATOM 5137 o HOH w 29 35, .473 87, .023 18, .492 1. .00 75. .69 o

ATOM 5140 0 HOH w 30 57, .423 106, .400 6, .995 1. .00 56. .54 0

ATOM 5143 0 HOH w 31 27, .713 60, .298 6, .561 1. .00 76. .66 0

ATOM 5146 o HOH w 32 40, .805 88, .497 18, .797 1. .00 66. .95 0

ATOM 5149 o HOH w 33 42, .404 130, .891 17, .875 1. .00 58. .54 o

ATOM 5152 0 HOH w 34 54, .358 115, .743 29, .407 1. .00 67. .96 0

ATOM 5155 0 HOH w 35 59, .358 112, .421 22, .133 1. .00 80. .19 0

ATOM 5158 0 HOH w 36 49, .350 124, .533 24, .285 1. .00 54. .32 o

ATOM 5161 0 HOH w 37 43, .979 123, .504 18, .709 1. .00 35. .11 0

ATOM 5164 0 HOH w 38 44, .780 108, .920 -2, .342 1. .00 57. .01 0

ATOM 5167 0 HOH w 39 58, .421 119, .577 27, .484 1. .00 76. .64 0

ATOM 5170 o HOH w 40 28, .241 85, .550 -2, .220 1. .00 77. .10 0

ATOM 5173 0 HOH w 41 58. .313 105. .078 4. .835 1. .00 76. .96 0

ATOM 5176 0 HOH w 42 62. .102 112. .531 25. .347 1. .00 79. .14 0

ATOM 5179 0 HOH w 43 56. .544 107. .512 8. .611 1. .00 69. .86 o

ATOM 5182 0 HOH w 44 49. .344 125. .012 27. .807 1. .00 76. .40 o ATOM 5185 O HOH W 45 55..445 107..690 -2,.871 1..00 68,.80 O

ATOM 5188 O HOH W 46 51. .164 119. .093 3, .831 1. .00 51, .66 O

ATOM 5191 O HOH W 47 51, .075 132, .251 5, .756 1. .00 59, .80 O

ATOM 5194 O HOH W 48 62, .568 108, .243 28, .014 1. .00 45, .28 O

ATOM 5197 O HOH W 49 45, .653 85, .603 -9, .266 1. .00 44, .01 O

ATOM 5200 O HOH W 50 55, .924 112 .809 21 .172 1. .00 40, .92 O

ATOM 5203 O HOH W 51 56, .445 107, .798 19, .422 1. .00 31, .89 O

ATOM 5206 O HOH W 52 53. .799 108 .509 22, .652 1. .00 44, .76 O

ATOM 5209 O HOH W 53 59. .557 103 .355 8, .967 1. .00 65, .30 O

ATOM 5212 O HOH W 54 60. .638 108 .315 29, .934 1. .00 50, .52 O

ATOM 5215 O HOH W 55 55, .402 108 .156 23 .859 1. .00 59, .78 O

ATOM 5218 O HOH W 56 54. .013 111, .178 18, .927 1. .00 28. .55 O

ATOM 5221 O HOH W 57 50. .000 104, .394 8. .234 1. .00 31. .24 O

ATOM 5224 O HOH W 58 50. .516 130, .307 7, .798 1. .00 30. .67 O

ATOM 5227 O HOH W 59 43. .143 97, .177 11, .253 1. .00 37. .30 O

ATOM 5230 O HOH W 60 44. .809 113, .594 14, .502 1. .00 50. .78 O

ATOM 5233 O HOH W 61 59. .959 121, .331 7. .705 1. .00 65. .89 O

ATOM 5236 O HOH W 62 35. .151 63, .437 4, .382 1. .00 42. .39 O

ATOM 5239 O HOH W 63 37. .783 77, .111 -8, .096 1. .00 41. .57 O

ATOM 5242 O HOH W 64 44. .646 76, .091 10, .644 1. .00 69, .52 O

ATOM 5245 O HOH W 65 45. .167 72, .626 6, .919 1. .00 50, .05 O

ATOM 5248 O HOH W 66 38. .927 65, .288 10, .990 1. .00 37. .29 O

ATOM 5251 O HOH W 61 55. .556 127, .997 8, .849 1. .00 70, .09 O

ATOM 5254 O HOH W 68 48. .708 120. .429 4, .838 1. .00 41, .75 O

ATOM 5257 O HOH w 69 60. .491 96, .261 17, .606 1. .00 38. .72 O

ATOM 5260 0 HOH w 70 35. .059 68, .728 -7, .792 1. .00 40. .11 0

ATOM 5263 0 HOH w 71 53, .798 108, .671 19, .983 1. .00 33. .72 0

ATOM 5266 0 HOH w 72 62, .114 99, .237 14, .763 1. .00 38. .61 0

ATOM 5269 o HOH w 73 45, .582 68, .501 0, .409 1. .00 42. .85 0

ATOM 5272 0 HOH w 74 44, .003 116, .825 13, .655 1. .00 62. .27 o

ATOM 5275 0 HOH w 75 49, .084 105, .565 5, .620 1. .00 47. .05 0

ATOM 5278 0 HOH w 76 31, .160 67, .803 2, .118 1. .00 43. .57 0

ATOM 5281 0 HOH w 77 37. .606 88, .727 -8, .428 1. .00 70. .33 0

ATOM 5284 0 HOH w 78 36. .684 67, .567 9, .249 1. .00 36. .14 0

ATOM 5287 0 HOH w 79 53, .657 130, .924 7, .011 1. .00 42. .90 o

ATOM 5290 0 HOH w 80 62, .282 95, .115 15, .661 1. .00 41. .05 0

ATOM 5293 0 HOH w 81 41. .934 126, .573 10, .631 1. .00 40. .38 0

ATOM 5296 o HOH w 82 48, .628 120, .610 26, .382 1. .00 51. .84 o

ATOM 5299 0 HOH w 83 43, .251 83, .059 7, .975 1. .00 44. .82 0

ATOM 5302 0 HOH w 84 43, .652 113, .548 21, .518 1. .00 64. .80 0

ATOM 5305 0 HOH w 85 45. .829 119, .847 6, .238 1. .00 52. .29 o

ATOM 5308 0 HOH w 86 41, .362 123, .918 11, .543 1. .00 54. .41 0

ATOM 5311 0 HOH w 87 63, .062 96, .924 13, .805 1. .00 46. .55 0

ATOM 5314 0 HOH w 88 41, .951 72, .000 -6 .572 1. .00 39. .09 0

ATOM 5317 0 HOH w 89 36, .844 92, .542 6, .057 1. .00 75. .43 0

ATOM 5320 0 HOH w 90 54, .823 85, .756 16, .786 1. .00 43. .79 0

ATOM 5323 0 HOH w 91 42, .504 76, .141 -13, .349 1. .00 51. .04 0

ATOM 5326 0 HOH w 92 27, .795 77, .663 25, .503 1. .00 59. .35 0

ATOM 5329 0 HOH w 93 40, .777 92, .670 7, .649 1. .00 51. .75 o

ATOM 5332 0 HOH w 94 35, .058 71, .002 -3, .901 1. .00 38. .69 0

ATOM 5335 0 HOH w 95 39, .116 71, .216 17, .303 1. .00 52. .46 0

ATOM 5338 0 HOH w 96 42, .527 125, .820 19, .474 1. .00 61. .25 0

ATOM 5341 0 HOH w 97 35, .564 69, .025 1, .205 1. .00 41. .08 0

ATOM 5344 0 HOH w 98 43. .960 115. .903 7. .206 1. ,00 78. .32 0

ATOM 5347 0 HOH w 99 37. .613 71. .573 21. .655 1. ,00 32. .57 0

ATOM 5350 0 HOH w 100 66. .569 113. .173 25. .623 1. ,00 52. .33 0

ATOM 5353 0 HOH w 101 34. .485 69. .279 -1. .570 1. ,00 45. .02 0 ATOM 5356 O HOH W 102 40.686 123.,910 7..764 1.00 61.55 0

ATOM 5359 O HOH W 103 34. ,257 68. .598 23. .395 1. 00 52. 15 0

ATOM 5362 0 HOH W 104 61. .844 118. .474 11. .314 1. 00 36. .98 0

ATOM 5365 0 HOH W 105 42. .196 90. ,071 -7. .919 1. 00 77. .63 0

ATOM 5368 0 HOH W 106 46. .829 80, .726 11. .459 1. 00 51. .93 0

ATOM 5371 0 HOH W 107 57. .182 112, .623 30. .046 1. ,00 75. .63 0

ATOM 5374 0 HOH W 108 63. .018 125. .121 14. .648 1. .00 46. ,01 0

ATOM 5377 0 HOH W 109 30. .236 76. .721 2. .483 1. .00 50. ,41 0

ATOM 5380 0 HOH W 110 59. .484 97. .157 12. .305 1. .00 74. .92 0

ATOM 5383 0 HOH W 111 66. .280 125. .650 21. .002 1. .00 55. ,91 0

ATOM 5386 0 HOH W 112 38. .633 73. .101 -12. .932 1. ,00 40. ,93 0

ATOM 5389 o HOH W 113 53. .574 124. .189 29. .788 1. .00 79. .18 0

ATOM 5392 0 HOH W 114 52. .625 107. .761 24. .951 1. .00 55. .46 0

ATOM 5395 0 HOH W 115 33. .395 79. .930 -10. .657 1. .00 52. .07 o

ATOM 5398 0 HOH W 116 42. .189 66. .135 6. .896 1. .00 74. .14 0

ATOM 5401 0 HOH W 117 28. .631 83. .458 -0. .439 1. .00 54. .42 0

ATOM 5404 0 HOH W 118 36. .595 63. .789 -3. .334 1. .00 50. .62 o

ATOM 5407 o HOH W 119 38. .024 124. .415 15, .891 1. .00 79. .15 0

ATOM 5410 0 HOH W 120 51. .164 127. .662 27. .992 1. ,00 77. .15 0

ATOM 5413 0 HOH w 121 33. .458 60. .520 1. .020 1. .00 75. .19 0

ATOM 5416 o HOH w 122 60. .833 116, .575 9, .242 1. .00 44. .64 0

ATOM 5419 0 HOH w 123 42. .352 92. .500 3. .759 1. .00 52. .03 0

ATOM 5422 0 HOH w 124 52. .547 93, .195 30, .524 1. .00 66 . .90 0

ATOM 5425 0 HOH w 125 28, .660 78, .414 4, .161 1. .00 43. .46 0

ATOM 5428 0 HOH w 126 40, .829 70, .423 15. .730 1. .00 49. .10 0

ATOM 5431 0 HOH w 127 51, .125 84, .245 7, .042 1. .00 64. .06 0

ATOM 5434 0 HOH w 128 31. .743 69, .109 18, .180 1. .00 49. .04 o

ATOM 5437 0 HOH w 129 41, .555 122, .424 13, .422 1. .00 67. .04 0

ATOM 5440 0 HOH w 130 40, .494 103, .777 16, .757 1. .00 59. .05 0

ATOM 5443 0 HOH w 131 41, .085 66 .289 13, .109 1. .00 71. .91 0

ATOM 5446 0 HOH w 132 37, .649 75, .067 -10, .910 1. .00 42. .37 0

ATOM 5449 0 HOH w 133 63, .866 121. .304 24, .232 1. .00 75. .73 0

ATOM 5452 0 HOH w 134 52 .085 83 .796 19 .623 1. .00 38. .17 0

ATOM 5455 0 HOH w 135 41, .840 99, .686 11, .188 1. .00 60. .15 0

ATOM 5458 0 HOH w 136 44 .297 121, .914 21, .270 1. .00 57. .05 0

ATOM 5461 0 HOH w 137 43 .217 83 .794 11 .842 1. .00 61. .59 0

ATOM 5464 0 HOH w 138 43, .352 71, .558 8, .520 1. .00 75. .45 0

ATOM 5467 0 HOH w 139 58 .598 95 .552 14 .111 1. .00 43, .11 0

ATOM 5470 0 HOH w 140 51 .962 103 .383 5 .115 1. .00 49, .38 0

ATOM 5473 0 HOH w 141 40 .072 92 .990 3, .454 1. .00 66. .31 o

ATOM 5476 0 HOH w 142 24 .709 61 .989 10, .820 1. .00 52, .44 0

ATOM 5479 0 HOH w 143 53 .075 119 .025 29 .968 1. .00 75, .84 o

ATOM 5482 0 HOH w 144 36 .435 91 .458 -6, .499 1. .00 71, .42 o

ATOM 5485 0 HOH w 145 45 .600 116 .941 19, .903 1. .00 40, .29 0

ATOM 5488 0 HOH w 146 60 .749 91 .718 12 .295 1, .00 57 .93 o

ATOM 5491 0 HOH w 147 49 .900 108 .407 5 .369 1. .00 73, .19 0

ATOM 5494 0 HOH w 148 43 .519 67 .011 2 .426 1, .00 59, .04 0

ATOM 5497 0 HOH w 149 56 .911 118 .824 29 .479 1, .00 75 . 96 o

ATOM 5500 0 HOH w 150 36 .850 61 .466 1 .688 1. .00 53, .46 0

ATOM 5503 0 HOH w 151 30 .957 82 .223 14 .125 1, .00 52, .58 0

ATOM 5506 0 HOH w 152 51 .377 88 .767 30 .293 1, .00 80 .18 0

ATOM 5509 0 HOH w 153 45 .171 96 .588 1 .156 1, .00 72, .36 0

ATOM 5512 0 HOH w 154 44 .679 81 .042 8 .995 1, .00 54 .95 o

ATOM 5515 0 HOH w 155 44 .054 119 .015 21 .227 1, .00 62 .19 0

ATOM 5518 0 HOH w 156 45 .509 77 .947 15 .877 1. .00 70, .35 0

ATOM 5521 0 HOH w 157 27 .961 59 .868 10 .144 1, .00 59, .14 0

ATOM 5524 0 HOH w 158 61 .185 92 .058 9 .923 1, .00 59 .00 0 ATOM 5527 O HOH W 159 42..052 112,.698 14,.245 1..00 78,.36 0

ATOM 5530 O HOH W 160 48, .656 116, .578 28, .691 1. .00 58, .89 0

ATOM 5533 0 HOH W 161 39, .928 106, .912 6, .145 1. .00 49 .48 0

ATOM 5536 0 HOH W 162 32. .957 62, .263 11, .160 1. .00 55, .96 0

ATOM 5539 0 HOH W 163 52, .642 86, .131 12, .913 1. .00 47, .49 0

ATOM 5542 0 HOH W 164 60, .510 94, .035 13, .623 1. .00 50 .40 0

ATOM 5545 0 HOH W 165 31, .339 93 .204 16 .376 1. .00 56 .97 0

ATOM 5548 0 HOH W 166 31. .008 81, .079 10, .106 1. .00 52. .86 0

ATOM 5551 0 HOH W 167 35, .527 83, .409 20, .877 1. .00 70, .94 0

ATOM 5554 0 HOH W 168 32, .395 84, .641 -5, .163 1. .00 52 .82 0

ATOM 5557 0 HOH W 169 62. .498 94. .511 9. .593 1. .00 53, .52 0

ATOM 5560 0 HOH W 170 39, .517 61, .654 -1, .978 1. .00 59, .23 0

ATOM 5563 0 HOH W 171 45, .780 93, .626 0, .131 1. .00 75, .86 0

ATOM 5566 0 HOH W 172 44, .848 74, .128 -10, .011 1. .00 60, .69 0

ATOM 5569 0 HOH W 173 29, .359 78, .243 -10, .051 1. .00 78, .20 0

ATOM 5572 0 HOH W 174 28. .296 73, .301 5, .930 1. .00 19, .53 0

ATOM 5575 0 HOH W 175 48, .607 66, .104 -0, .470 1. .00 76, .61 0

ATOM 5578 0 HOH W 176 54, .412 129, .472 21, .982 1. .00 58, .03 0

ATOM 5581 0 HOH W 177 48. .678 110, .127 27, .833 1. .00 78. .05 0

ATOM 5584 0 HOH W 178 40, .905 96, .986 9, .566 1. .00 66 . .64 0

ATOM 5587 0 HOH W 179 27, .594 69, .230 18, .896 1. .00 78, .85 o

ATOM 5590 0 HOH W 180 34, .588 83, .505 -6, .876 1. .00 48, .25 0

ATOM 5593 0 HOH W 181 53. .234 74, .488 5, .598 1. .00 69. .84 0

ATOM 5596 0 HOH W 182 32, .929 69, .854 . -5, .254 1. .00 76, .21 0

ATOM 5599 0 HOH w 183 39, .674 77, .180 5, .309 1. .00 48, .87 0

ATOM 5602 0 HOH w 184 43, .254 120 .307 8, .550 1. .00 55, .63 0

ATOM 5605 0 HOH w 185 41, .206 72, .665 11. .407 1. .00 45, .06 0

ATOM 5608 0 HOH w 186 44, .945 117, .499 5. .741 1. .00 78. .88 0

ATOM 5611 0 HOH w 187 42, .522 75, .732 15, .933 1. .00 77, .83 0

ATOM 5614 0 HOH w 188 48, .211 98 .184 5, .705 1. .00 44, .96 0

ATOM 5617 0 HOH w 189 55. .948 109, .553 6. .871 1. .00 61. .20 0

ATOM 5620 0 HOH w 190 30, .773 71, .213 23, .634 1. .00 79. .04 0

ATOM 5623 0 HOH w 191 42, .364 87, .014 17, .429 1. .00 48, .79 0

ATOM 5626 0 HOH w 192 39, .446 107, .569 8, .916 1. .00 61. .31 0

ATOM 5629 0 HOH w 193 40, .482 85, .990 25. .410 1. .00 59. .34 0

ATOM 5632 0 HOH w 194 33. .029 67, .797 21, .576 1. .00 55. .59 0

ATOM 5635 0 HOH w 195 67, .801 102, .572 8, .476 1. .00 79, .15 0

ATOM 5638 0 HOH w 196 33. .176 75, .425 -9. .014 1. .00 80. .19 o

ATOM 5641 0 HOH w 197 43. .263 116, .278 10. .826 1. .00 75. .40 0

ATOM 5644 0 HOH w 198 41, .449 101, .674 13. .121 1. .00 62. .07 0

ATOM 5647 0 HOH w 199 56, .045 93 .904 25, .365 1. .00 62, .13 0

ATOM 5650 0 HOH w 200 24. .223 70, .785 1. .153 1. .00 53. .83 0

ATOM 5653 0 HOH w 201 37, .974 93, .363 13. .864 1. .00 60. .87 0

ATOM 5656 0 HOH w 202 45. .480 113 .062 5, .375 1. .00 64. .43 0

ATOM 5659 0 HOH w 203 41, .966 68 .774 -9, .433 1. .00 43, .06 o

ATOM 5662 0 HOH w 204 51. .545 73, .067 -7. .344 1. .00 66. .15 0

ATOM 5665 0 HOH w 205 24. .340 69, .097 16. .638 1. .00 76. .77 0

ATOM 5668 0 HOH w 206 63, .815 92 .478 -2, .054 1. .00 59. .19 0

ATOM 5671 0 HOH w 207 40, .016 89 .803 9, .480 1. .00 34. .42 o

ATOM 5674 0 HOH w 208 34. .161 93, .347 0. .901 1. .00 76. .12 o

ATOM 5677 0 HOH w 209 31. .108 69, .270 -3, .390 1. .00 76. .83 o

ATOM 5680 0 HOH w 210 44. .348 84, .364 25, .277 1. .00 53. .92 0

ATOM 5683 0 HOH w 211 43. .154 85 .527 13, .557 1. .00 54. .57 0

ATOM 5686 0 HOH w 212 33. .229 64, .247 -1. .343 1. .00 72. .36 0

ATOM 5689 0 HOH w 213 40. .822 110, .121 16. .703 1. .00 56. .76 0

ATOM 5692 0 HOH w 214 46. .196 115, .115 3. .990 1. .00 79. .22 0

ATOM 5695 0 HOH w 215 58. .154 86, .252 23. .111 1. .00 48. .11 0 ATOM 5698 O HOH W 216 58..853 90..122 12,.859 1..00 52,.24 O

ATOM 5701 O HOH W 217 60. .375 92. .732 25, .766 1. .00 79, .60 O

ATOM 5704 O HOH W 218 37. .397 123. .341 13, .645 1. .00 79, .77 O

ATOM 5707 O HOH W 219 65. .742 114. .924 21, .797 1. .00 53, .82 O

ATOM 5710 O HOH W 220 62. .898 120. .317 9, .637 1. .00 66, .38 O

ATOM 5713 0 HOH W 221 47. .793 105. .121 30, .054 1. .00 77, .90 O

ATOM 5716 0 HOH W 222 61. .302 87. .169 10, .789 1. .00 62, .18 O

ATOM 5719 0 HOH W 223 60. .053 87. .968 14, .394 1. .00 64, .76 O

ATOM 5722 0 HOH W 224 64. .043 119. .474 22, .819 1. .00 77, .62 O

ATOM 5725 0 HOH W 225 59. .527 87. .841 24, .962 1. .00 65, .92 O

ATOM 5728 0 HOH W 226 43. .912 111. .839 26, .284 1. .00 76, .19 O

ATOM 5731 0 HOH W 227 34, .427 81, .622 -13 .894 1. .00 75 .40 O

ATOM 5734 0 HOH W 228 42, .312 121, .895 16 .774 1. .00 77 .17 O

ATOM 5737 0 HOH W 229 46, .534 131, .420 20 .881 1. .00 60, .73 O

ATOM 5740 0 HOH W 230 60, .430 87, .814 17 .342 1. .00 62, .08 O

ATOM 5743 0 HOH W 231 49, .243 64, .966 5, .901 1. .00 76, .25 O

ATOM 5746 0 HOH W 232 13, . 666 78, .086 5, .851 1. .00 77, .04 O

ATOM 5749 0 HOH W 233 42, .578 130, .755 22, .610 1. .00 68, .84 O

ATOM 5752 0 HOH W 234 39, .754 89, .291 -8, .601 1. .00 78, .92 O

ATOM 5755 0 HOH W 235 59, .299 85, .386 18, .284 1. .00 57, .35 O

ATOM 5758 0 HOH W 236 47, .678 111, .910 2, .497 1. .00 77, .48 O

ATOM 5761 0 HOH W 237 23, .039 74, .242 1, .507 1. .00 75, .03 O

ATOM 5764 0 HOH W 238 57, .016 124, .309 6, .503 1. .00 57, .05 O

ATOM 5767 0 HOH w 239 63, .656 98, .623 0, .818 1. .00 62, .18 o

ATOM 5770 0 HOH w 240 45, .541 83, .756 12, .486 1. .00 64, .02 0

ATOM 5773 0 HOH w 241 42, .639 118, .182 22, .838 1. .00 75, .65 0

ATOM 5776 0 HOH w 242 39, .163 88, .625 -5, .422 1. .00 51, .89 0

ATOM 5779 0 HOH w 243 64, .231 101, .087 2, .557 1. .00 61, .62 0

ATOM 5782 0 HOH w 244 57, .646 92, .516 26, .547 1. .00 78, .81 0

ATOM 5785 0 HOH w 245 36, .485 96. .953 15, .700 1. .00 70, .64 0

ATOM 5788 0 HOH w 246 54, .095 102, .855 28, .589 1. .00 78. .01 0

ATOM 5791 0 HOH w 247 55, .077 81. .532 6, .177 1. .00 76. .57 0

ATOM 5794 0 HOH w 248 34, .341 66. .701 -2, .961 1. .00 76. .55 0

ATOM 5797 0 HOH w 249 25, .742 72. .843 0, .626 1. .00 51. .52 0

ATOM 5800 0 HOH w 250 51, .970 83. .006 -14, .034 1. .00 57. .31 0

ATOM 5803 0 HOH w 251 55, .154 75. .381 -1, .301 1. .00 76. .47 0

ATOM 5806 0 HOH w 252 56, .858 87. .090 0, .390 1. .00 74. .63 0

ATOM 5809 0 HOH w 253 61, .813 125. .856 9, .702 1. .00 76. .27 0

ATOM 5812 0 HOH w 254 63, .886 116. .947 12, .268 1. .00 54. .90 o

ATOM 5815 0 HOH w 255 42, .875 119. .815 24, .861 1. .00 80. .19 o

ATOM 5818 0 HOH w 256 53, .348 82. .049 18, .233 1. .00 78. .28 o

ATOM 5821 0 HOH w 257 47, .555 89. .758 -0. .568 1. .00 80. .19 0

ATOM 5824 0 HOH w 258 43, .090 88. .608 -0. .604 1. .00 80. .19 0

ATOM 5827 0 HOH w 259 22, .541 71. .724 15. .324 1. .00 80. .19 0

ATOM 5830 0 HOH w 260 27, .231 79. .974 0, .696 1. .00 80. .19 o Table 2

CRYSTl 153. 425 153. .425 36.616 90.00 90.00 120.00

0RIGX1 1.000000 C 1.000000 0.000000 0.00000

0RIGX2 0.000000 1 ..000000 0.000000 0.00000

0RIGX3 0.000000 c 1.000000 1.000000 0.00000

SCALEl 0.006518 c (.003763 0.000000 0.00000

SCALE2 0.000000 c (.007526 0.000000 0.00000

SCALE3 0.000000 c (.000000 0.027310 0.00000

X Y z OCC B-Factor

ATOM 1 N ASP A 111 25.988 76. ,420 22.010 0. .00 40. .31 7

ATOM 2 CA ASP A 111 27.198 76. .312 22.798 1. ,00 37. .80 6

ATOM 3 CB ASP A 111 27.568 74. .846 23.026 1. ,00 40. .96 6

ATOM 4 CG ASP A 111 28.717 74. .635 23.990 1. .00 38, .99 6

ATOM 5 OD1 ASP A 111 28.550 74. .954 25.186 1. .00 43. .62 8

ATOM 6 OD2 ASP A 111 29.781 74. .149 23.561 1. .00 39. .22 8

ATOM 7 C ASP A 111 28.338 16 . .928 21.978 1. .00 35. .03 6

ATOM 8 O ASP A 111 28.719 16 . .403 20.934 1. .00 35. .15 8

ATOM 9 N ASP A 112 29.027 77. .860 22.618 1. .00 35. .33 7

ATOM 10 CA ASP A 112 30.167 78. .545 22.043' 1. .00 32. .84 6

ATOM 11 CB ASP A 112 30.725 79. .533 23.076 1. .00 35, .32 6

ATOM 12 CG ASP A 112 29.736 80. .620 23.442 1. .00 39, .22 6

ATOM 13 OD1 ASP A 112 28.581 80. .563 22.970 1. .00 40, .15 8

ATOM 14 OD2 ASP A 112 30.126 81. .529 24.204 1. .00 42. .99 8

ATOM 15 C ASP A 112 31.288 77. .614 21.614 1. .00 30. .09 6

ATOM 16 O ASP A 112 31.796 77. .727 20.496 1. .00 29. .79 8

ATOM 17 N LEU A 113 31.698 76. .698 22.493 1. .00 27. .98 7

ATOM 18 CA LEU A 113 32.791 75. .787 22.181 1. .00 27, .68 6

ATOM 19 CB LEU A 113 33.238 75, .007 23.412 1. .00 29, .58 6

ATOM 20 CG LEU A 113 34.513 74. .175 23.274 1. .00 28, .59 6

ATOM 21 CDI LEU A 113 35.687 75. .005 22.754 1. .00 27. .79 6

ATOM 22 CD2 LEU A 113 34.879 73. .547 24.609 1. .00 28. .86 6

ATOM 23 C LEU A 113 32.437 74. .840 21.038. 1. .00 27. .52 6

ATOM 24 O LEU A 113 33.267 74. .533 20.183 1. .00 27. .69 8

ATOM 25 N GLN A 114 31.174 74, .420 20.976 1. .00 29. .39 7

ATOM 26 CA GLN A 114 30.716 73, .609 19.855 1. .00 29, .62 6

ATOM 27 CB GLN A 114 29.269 73, .166 20.070 1. .00 32, .58 6

ATOM 28 CG GLN A 114 29.162 72, .060 21.118 1. .00 40, .16 6

ATOM 29 CD GLN A 114 27.722 71, .682 21.399 1. .00 42, .99 6

ATOM 30 OEl GLN A 114 26.958 71, .394 20.476 1. .00 45, .80 8

ATOM 31 NE2 GLN A 114 27.340 71. .691 22.675 1. .00 45. .90 7

ATOM 32 C GLN A 114 30.876 74. .381 18.550 1. .00 28. .59 6

ATOM 33 O GLN A 114 31.431 73, .854 17.582 1. .00 31, .85 8

ATOM 34 N MET A 115 30.550 75, .672 18.551 1. .00 29, .59 7

ATOM 35 CA MET A 115 30.674 76, .526 17.385 1. .00 28, .08 6

ATOM 36 CB MET A 115 30.040 77, .900 17.618 1. .00 29, .22 6

ATOM 37 CG MET A 115 28.355 76, .794 17.235 0. .00 33, .92 6

ATOM .38 SD MET A 115 27.861 79. .517 18.204 1. .00 32, .85 16

ATOM 39 CE MET A 115 27.025 79. .263 20.061 0. .00 43. .21 6

ATOM 40 C MET A 115 32.120 76, .697 16.935 1. .00 25, .89 6

ATOM 41 0 MET A 115 32.378 76, .768 15.735 1. .00 24, .87 8

ATOM 42 N ILE A 116 33.048 76, .778 17.873 1. .00 26, .80 7

ATOM 43 CA ILE A 116 34.475 76, .851 17.591 1. .00 25, .71 6

ATOM 44 CB ILE A 116 35.264 77, .232 18.861 1. .00 24, .41 6

ATOM 45 CGI ILE A 116 34.916 78. .674 19.241 1. .00 28. .67 6

ATOM 46 CDI ILE A 116 35.535 79. .183 20.528 1. .00 29. .50 6 ATOM 47 CG2 ILE A 116 36..757 77..030 18..673 1.,00 25..40 6

ATOM 48 C ILE A 116 34. .974 75. .533 17. .029 1. ,00 24. .79 6

ATOM 49 O ILE A 116 35. .626 75. .485 15. .980 1. ,00 24. .78 8

ATOM 50 N GLU A 117 34. .546 74. .422 17. .641 1. ,00 25. .35 7

ATOM 51 CA GLU A 117 34. .920 73. .105 17. .122 1. ,00 22. .65 6

ATOM 52 CB GLU A 117 34. .457 72. .022 18. .091 1. .00 20. .35 6

ATOM 53 CG GLU A 117 35. .425 71. .849 19. .268 1. .00 20. .55 6

ATOM 54 CD GLU A 117 34. .871 70. .949 20. .354 1. .00 27. .47 6

ATOM 55 OEl GLU A 117 33. .836 70. .298 20. .087 1. .00 30. .50 8

ATOM 56 OE2 GLU A 117 35. .470 70. .898 21. .448 1. .00 29. .17 8

ATOM 57 C GLU A 117 34. .421 72. .946 15. .688 1. .00 21. .26 6

ATOM 58 O GLU A 117 35, .167 72. .430 14. .857 1. .00 22. .35 8

ATOM 59 N MET A 118 33. .233 73. .409 15. .350 1. .00 22. .38 7

ATOM 60 CA MET A 118 32. .666 73. .346 14. .015 1. .00 22. .16 6

ATOM 61 CB MET A 118 31. .204 73. .785 13. .980 1. .00 26. .59 6

ATOM 62 CG MET A 118 31. .326 72. .815 12. .429 0. .00 25. .69 6

ATOM 63 SD MET A 118 28. .911 74, .402 12. .477 1. .00 23. .04 16

ATOM 64 CE MET A 118 28, .176 73, .184 13. .549 0. .00 31. .53 6

ATOM 65 C MET A 118 33, .483 74, .179 13. .028 1. .00 23. .90 6

ATOM 66 O MET A 118 33, .892 73. .663 11. .987 1. .00 22. .61 8

ATOM 67 N HIS A 119 33, .933 75. .363 13. .460 1. .00 24. .49 7

ATOM 68 CA HIS A 119 34. .792 76. .177 12. .593 1. .00 22. .24 6

ATOM 69 CB HIS A 119 35. .024 77. .553 13. .232 1. .00 23. .10 6

ATOM 70 CG HIS A 119 33, .929 78, .526 12, .929 1. .00 21. .17 6

ATOM 71 NDl HIS A 119 32, .721 78, .544 13, .583 1. .00 23. .67 7

ATOM 72 CEl HIS A 119 31, .964 79, .507 13, .091 1. .00 23. .69 6

ATOM 73 NE2 HIS A 119 32, .645 80, .111 12. .138 1. .00 25. .90 7

ATOM 74 CD2 HIS A 119 33, .873 79, .527 12. .010 1. .00 22. .39 6

ATOM 75 C HIS A 119 36, .122 75. .514 12. .305 1. .00 19. .99 6

ATOM 76 O HIS A 119 36, .671 75, .535 11, .197 1. .00 22. .22 8

ATOM 77 N GLU A 120 36, .724 74, .904 13, .319 1. .00 19. .91 7

ATOM 78 CA GLU A 120 37, .995 74, .217 13, .244 1. .00 18. .07 6

ATOM 79 CB GLU A 120 38, .535 73, .977 14, .664 1. .00 22. .48 6

ATOM 80 CG GLU A 120 38, .882 75. .350 15. .254 1. .00 21. .76 6

ATOM 81 CD GLU A 120 39, .455 75. .338 16. .649 1. .00 27. .82 6

ATOM 82 OEl GLU A 120 39 .316 74, .334 17, .376 1. .00 27, .23 8

ATOM 83 OE2 GLU A 120 40 .068 76, .364 17, .038 1. .00 26. .25 8

ATOM 84 C GLU A 120 37, .904 72, .945 12, .395 1. .00 20. .04 6

ATOM 85 O GLU A 120 38, .861 72, .635 11, .685 1. .00 22. .14 8

ATOM 86 N LEU A 121 36, .754 72, .281 12, .402 1. .00 22. .71 7

ATOM 87 CA LEU A 121 36, .620 71, .082 11, .574 ^■1. .00 21. .50 6

ATOM 88 CB LEU A 121 35 .553 70, .134 12, .148 1, .00 23, .93 6

ATOM 89 CG LEU A 121 36 .025 69, .387 13, .404 1. .00 23, .35 6

ATOM 90 GDI LEU A 121 34 .819 68, .848 14, .165 1. .00 24. .80 6

ATOM 91 CD2 LEU A 121 37, .032 68, .304 13, .085 1. .00 25. .39 6

ATOM 92 C LEU A 121 36, .316 71, .430 10, .125 1. .00 20. .29 6

ATOM 93 . O LEU A 121 36, .859 70, .810 9. .197 1. .00 21. .65 8

ATOM 94 N ILE A 122 35 .504 72 .466 9 .923 1. .00 22, .01 7

ATOM ^' ■ 95 CA ILE A 122 35 .163 72 .851 8 .550 1. .00 21, .41 6

ATOM 96 CB ILE A 122 33 .926 73, .744 8 .474 1. .00 21, .25 6

ATOM 97 CGI ILE A 122 33, .312 73, .671 7, .070 1. .00 23. .58 6

ATOM 98 CDI ILE A 122 31, .980 74, .376 6, .950 1. .00 24. .47 6

ATOM 99 CG2 ILE A 122 34, .272 75, .197 8, .811 1. .00 23. .56 6

ATOM 100 C ILE A 122 36 .367 73 .454 7 .845 1. .00 22. .89 6

ATOM 101 O ILE A 122 36 .535 73, .360 6 .621 1. .00 21. .90 8

ATOM 102 N GLN A 123 37, .292 74, .045 8, .612 1. .00 23. .42 7

ATOM 103 CA GLN A 123 38, .545 74, .530 8, .056 1. .00 23. .24 6 ATOM 104 CB GLN A 123 39.472 75..049 9.,170 1.00 23..96 6

ATOM 105 CG GLN A 123 40. 720 75. .735 8. .602 1. 00 26. ,19 6

ATOM 106 CD GLN A 123 41. ,837 74. .750 8. .348 1. ,00 28. .01 6

ATOM 107 OEl GLN A 123 41. ,974 73. .746 9. .063 1. ,00 31. .86 8

ATOM ^' 108 NE2 GLN A 123 42. ,665 74. .986 7. .331 1. ,00 25. .78 7

ATOM 109 C GLN A 123 39. ,245 73. .437 7. .262 1. ,00 22. .44 6

ATOM 110 O GLN A 123 39. ,899 73. .684 6. .240 1. ,00 21. .96 8

ATOM 111 N GLU A 124 39. .235 72. .197 7. .771 1. ,00 21. .80 7

ATOM 112 CA GLU A 124 39. .835 71. .072 7. .081 1. ,00 21. .12 6

ATOM 113 CB GLU A 124 39. .855 69. .824 7. .973 1. .00 23. .28 6

ATOM 114 CG GLU A 124 40. .715 69. .990 9. .218 1. .00 22. .22 6

ATOM 115 CD GLU A 124 40. .571 68. .812 10. .171 1. .00 31. .79 6

ATOM 116 OEl GLU A 124 39. .880 67, .839 9. .789 1. .00 29. .00 8

ATOM 117 OE2 GLU A 124 41. .122 68, .862 11. .288 1. .00 28. .08 8

ATOM 118 C GLU A 124 39. .124 70, .767 5. .755 1. .00 18. .94 6

ATOM 119 O GLU A 124 39. .819 70, .494 4. .773 1. .00 20. .55 8

ATOM 120 N PHE A 125 37. .813 70, .915 5. .725 1. .00 21. .39 7

ATOM 121 CA PHE A 125 37. .025 70, .719 4, .512 1. .00 22, .65 6

ATOM 122 CB PHE A 125 35. .534 70, .698 4, .876 1. .00 24. .73 6

ATOM 123 CG PHE A 125 35. .060 69, .324 5, .286 1. .00 26, .72 6

ATOM 124 CDI PHE A 125 34. .027 68, .718 4, .586 1. .00 29, .49 6

ATOM 125 CEl PHE A 125 33. .593 67. .447 4. .950 1. .00 29. .59 6

ATOM 126 CZ PHE A 125 34. .189 66. .793 6. .007 1. .00 28. .15 6

ATOM 127 CE2 PHE A 125 35. .216 67, .394 6. .715 1. .00 30. .45 6

ATOM 128 CD2 PHE A 125 35. .643 68. .656 6. .346 1. .00 27. .77 6

ATOM 129 C PHE A 125. 37. .273 71, .814 3. .483 1. .00 23. .20 6

ATOM 130 O PHE A 125 37. .500 71, .538 2. .303 1. .00 24. .97 8

ATOM 131 N TYR A 126 37. .443 73, .046 3, .958 1. .00 21. .64 7

ATOM 132 CA TYR A 126 37. .750 74, .157 3, .042 1. .00 23, .42 6

ATOM 133 CB TYR A 126 37. .561 75, .486 3, .752 1. .00 21, .64 6

ATOM 134 CG TYR A 126 36. .149 75, .930 4, .034 1. .00 22, .68 6

ATOM 135 CDI TYR A 126 35, .091 75, .704 3, .159 1. .00 21, .82 6

ATOM 136 CEl TYR A 126 33, .813 76, .128 3, .442 1. .00 23, .07 6

ATOM 137 CZ TYR A 126 33, .563 76, .801 4, .619 1. .00 24, .29 6

ATOM 138 OH TYR A 126 32, .299 77, .238 4, .923 1. .00 26, .54 8

ATOM 139 CE2 TYR A 126 34, .590 77 .048 5, .508 1. .00 23, .72 6

ATOM 140 CD2 TYR A 126 35, .869 76 .616 5, .215 1. .00 21, .96 6

ATOM 141 C TYR A 126 39, .152 74 .011 2, .489 1. .00 21, .73 6

ATOM 142 O TYR A 126 39, .398 74 .296 1 .309 1. .00 24 .00 8

ATOM 143 N TYR A 127 40, .101 73 .596 3 .333 1. .00 21 .63 7

ATOM 144 CA TYR A 127 41 .473 73 .384 2 .930 1. .00 21 .24 6

ATOM 145 CB TYR A 127 42 .372 73 .040 4 .113 1, .00 21 .14 6

ATOM 146 CG TYR A 127 43, .809 72, .790 3, .720 1. .00 21, .92 6

ATOM 147 CDI TYR A 127 44, .641 73, .855 3, .375 1. .00 21, .21 6

ATOM 148 CEl TYR A 127 45, .958 73, .625 3, .023 1. .00 23, .06 6

ATOM 149 CZ TYR A 127 46, .457 72 .346 3, .000 1. .00 25, .75 6

ATOM 150 OH TYR A 127 47, .762 72, .114 2, .653 1. .00 30, .25 8

ATOM 151 CE2 TYR A 127 45, .653 71 .272 3, .340 1. .00 23, .61 6

ATOM 152 CD2 TYR A 127 44, .339 71 .514 3, .695 1. .00 22, .71 6

ATOM 153 C TYR A 127 41, .555 72 .299 1, .855 1. .00 23, .35 6

ATOM 154 O TYR A 127 42, .168 72 .494 0 .811 1. .00 22, .57 8

ATOM 155 N TYR A 128 40 .820 71 .200 2 .100 1. .00 20, .24 7

ATOM 156 CA TYR A 128 40, .761 70 .160 1 .065 1. .00 21, .28 6

ATOM 157 CB TYR A 128 40, .078 68 .941 1 .668 1. .00 20, .93 6

ATOM 158 CG TYR A 128 39, .825 67 .791 0 .719 1. .00 21, .81 6

ATOM 159 CDI TYR A 128 40, .733 66 .754 0 .604 1, .00 23, .18 6

ATOM 160 CEl TYR A 128 40, .494 65 .689 -0 .258 1. .00 24, .83 6 ATOM 161 CZ TYR A 128 39.,335 65..682 -0.,996 1.00 23..45 6

ATOM 162 OH TYR A 128 39. 096 64. .630 -1. 856 1. 00 27. .12 8

ATOM 163 CE2 TYR A 128 38. .413 66. .698 -0. .902 1. ,00 22. .16 6

ATOM 164 CD2 TYR A 128 38. .662 67. ,758 -0. .034 1. .00 22. .95 6

ATOM 165 C TYR A 128 40. ,071 70. ,654 -0. ,189 1. .00 19. .86 6

ATOM 166 O TYR A 128 40. .596 70. .323 -1. .271 1. .00 22. .00 8

ATOM 167 N ALA A 129 38. .989 71. .421 ' -0. .109 1. .00 21. .54 7

ATOM 168 CA ALA A 129 38. .341 71. .908 -1. .329 1. ,00 20. .14 6

ATOM 169 CB ALA A 129 37. .085 72. .706 -1. .064 1. ,00 21. .93 6

ATOM 170 C ALA A 129 39. .336 72. .698 -2. .188 1. .00 24. .16 6

ATOM 171 O ALA A 129 39. .525 72. .400 -3. .369 1. .00 21. .57 8

ATOM 172 N LEU A 130 40. .083 73. .607 -1. .559 1. ,00 22. .45 7

ATOM 173 CA LEU A 130 41. .086 74, .363 -2. .314 1. .00 22. .36 6

ATOM 174 CB LEU A 130 41. .695 75. .414 -1. .333 1. .00 18. .82 6

ATOM 175 CG LEU A 130 42. .766 76. .323 -1. .941 1. .00 23. .07 6

ATOM 176 CDI LEU A 130 42. .149 77. .276 -2. .955 1. .00 22. .59 6

ATOM 177 CD2 LEU A 130 43. .490 77, .096 -0. .837 1. .00 21. .64 6

ATOM 178 C LEU A 130 42. .246 73. .599 -2. .902 1. .00 22. .19 6

ATOM 179 O LEU A 130 42. .671 73. .869 -4. .046 1. ,00 23. .81 8

ATOM 180 N THR A 131 42. .854 72, .661 -2. .162 1. .00 19. .87 7

ATOM 181 CA THR A 131 44. .085 72, .019 -2. .551 1. .00 18. .80 6

ATOM 182 CB THR A 131 45. .018 71. .871 -1. .323 1. .00 22. .36 6

ATOM 183 OGl THR A 131 44. .450 70. .980 -0. .355 1. .00 25. .10 8

ATOM 184 CG2 THR A 131 45, .256 73, .234 -0. .658 1. .00 22. .89 6

ATOM 185 C THR A 131 43. .982 70, .665 -3. .246 1. .00 18. .54 6

ATOM 186 O THR A 131 44. .986 70, .131 -3. .726 1. .00 21. .11 8

ATOM 187 N LYS A 132 42, .787 70 .085 -3, .188 1. .00 20. .95 7

ATOM 188 CA LYS A 132 42, .617 68, .749 -3. .767 1. .00 21. .38 6

ATOM 189 CB LYS A 132 42, .451 67, .754 -2. .607 1. .00 21. .79 6

ATOM 190 CG LYS A 132 43. .715 67, .345 -1, .896 1. .00 22. .97 6

ATOM 191 CD LYS A 132 44, .690 66 .519 -2, .695 1. .00 23. .18 6

ATOM 192 CE LYS A 132 46, .001 66 .290 -1. .970 1. .00 28. .04 6

ATOM 193 NZ LYS A 132 46. .658 67, .595 -1, .661 1. .00 28. .54 7

ATOM 194 C LYS A 132 41, .457 68, .618 -4, .731 1. .00 21. .01 6

ATOM 195 0 LYS A 132 41, .409 67 .560 -5, .393 1. .00 26. .54 8

ATOM 196 N THR A 133 40, .536 69 .558 -4, .845 1. .00 21. .35 7

ATOM 197 CA THR A 133 39, .374 69 .343 -5, .703 1. .00 22. .81 6

ATOM 198 CB THR A 133 38 .039 69 .636 -4, .993 1. .00 24, .74 6

ATOM 199 OGl THR A 133 37, .846 71 .048 -4, .821 1. .00 22, .79 8

ATOM 200 CG2 THR A 133 37, .987 68 .948 -3, .635 1. .00 22. .21 6

ATOM 201 C THR A 133 39. .367 70 .123 -7, .009 1. .00 24. .68 6

ATOM 202 O THR A 133 39 .905 71 .227 -7 .121 1. .00 25, .47 8

ATOM 203 N VAL A 134 38, .629 69 .570 -7, .989 1. .00 23. .97 7

ATOM 204 CA VAL A 134 38, .479 70 .273 -9, .265 1. .00 24. .98 6

ATOM 205 CB VAL A 134 37 .865 69 .364 -10 .349 1. .00 23, .09 6

ATOM 206 CGI VAL A 134 37 .929 70 .044 -11 .709 1, .00 21, .81 6

ATOM 207 CG2 VAL A 134 38 .649 68 .064 -10, .454 1. .00 21, .32 6

ATOM 208 C VAL A 134 37, .728 71 .580 -9, .109 1. .00 25. .31 6

ATOM 209 O VAL A 134 38 .253 72 .557 -9 .688 1, .00 26, .98 8

ATOM 210 N GLU A 135 36 .695 71 .743 -8 .296 1, .00 23, .16 7

ATOM 211 CA GLU A 135 36 .007 73 .021 -8 .168 1. .00 23, .71 6

ATOM 212 CB GLU A 135 34 .780 72 .882 -7 .266 1, .00 28, .12 6

ATOM 213 CG GLU A 135 33 .874 74 .103 -7 .256 0, .00 38, .33 6

ATOM 214 CD GLU A 135 33 .134 74 .290 -8 .567 0. .00 46, .24 6

ATOM 215 OEl GLU A 135 33 .319 73 .456 -9, .477 0. .00 51, .72 8

ATOM 216 OE2 GLU A 135 32 .371 75 .272 -8 .683 0, .00 52, .48 8

ATOM 217 C GLU A 135 36 .942 74 .099 -7 .632 1, .00 24, .80 6 ATOM 218 O GLU A 135 36..777 75..252 -8..062 1..00 26,.86 8

ATOM 219 N GLY A 136 37. .960 73. .752 -6. .859 1. .00 25, .79 7

ATOM 220 CA GLY A 136 38. .860 74. .739 -6. .280 1. .00 23, .68 6

ATOM 221 C GLY A 136 40. .116 75, .048 -7, .069 1. .00 25, .15 6

ATOM 222 O GLY A 136 40. .940 75. .879 -6. .629 1. .00 24, .61 8

ATOM 223 N GLU A 137 40. .223 74. .613 -8, .322 1. .00 24, .13 7

ATOM 224 CA GLU A 137 41, .436 74, .833 -9, .098 1. .00 24, .89 6

ATOM 225 CB GLU A 137 41. .455 74. .013 -10, .391 1. .00 23. .49 6

ATOM 226 CG GLU A 137 41. .572 72. .513 -10, .150 1. .00 26, .04 6

ATOM 227 CD GLU A 137 41, .548 71. .723 -11, .445 1. .00 31, .20 6

ATOM 228 OEl GLU A 137 41. .516 72. .369 -12. .517 1. .00 30, .60 8

ATOM 229 OE2 GLU A 137 41. .595 70. .471 -11. .391 1. .00 25, .37 8

ATOM 230 C GLU A 137 41, .644 76. .308 -9, .448 1. .00 22, .15 6

ATOM 231 O GLU A 137 42, .805 76, .728 -9, .418 1. .00 23, .72 8

ATOM 232 N GLN A 138 40, .596 77. .016 -9, .833 1. .00 24, .25 7

ATOM 233 CA GLN A 138 40, .755 78. .421 -10, .222 1. .00 24, .33 6

ATOM 234 CB GLN A 138 39, .465 78, .979 -10, .819 1. .00 23, .52 6

ATOM 235 CG GLN A 138 39, .273 78. .582 -12, .282 1. .00 28. .91 6

ATOM 236 CD GLN A 138 38, .464 79. .615 -13, .043 1. .00 28, .63 6

ATOM 237 OEl GLN A 138 39, .033 80. .506 -13, .689 1. .00 30, .00 8

ATOM 238 NE2 GLN A 138 37. .145 79. .511 -12, .958 1. .00 28. .25 7

ATOM 239 C GLN A 138 41, .168 79. .277 -9, .028 1. .00 25, .89 6

ATOM 240 0 GLN A 138 42, .148 80, .020 -9, .129 1. .00 26, .14 8

ATOM 241 N ALA A 139 40. .563 78. .982 -7, .879 1. .00 23. .53 7

ATOM 242 CA ALA A 139 40. .877 79. .685 -6, .636 1. .00 25, .15 6

ATOM 243 CB ALA A 139 39, .958 79, .141 -5, .540 1. .00 24, .78 6

ATOM 244 C ALA A 139 42, .327 79, .495 -6 .244 1. .00 26, .12 6

ATOM 245 O ALA A 139 43, .021 80. .406 -5, .772 1. .00 26. .45 8

ATOM 246 N LEU A 140 42, .814 78. .265 -6, .405 1. .00 23. .86 7

ATOM 247 CA LEU A 140 44, .188 77, .927 -6, .106 1. .00 23, .91 6

ATOM 248 CB LEU A 140 44. .390 76. .414 -6, .097 1. .00 24, .87 6

ATOM 249 CG LEU A 140 45, .814 75. .905 -5, .920 1. .00 24, .37 6

ATOM 250 CDI LEU A 140 46, .393 76, .368 -4, .584 1. .00 26, .47 6

ATOM 251 CD2 LEU A 140 45. .845 74. .379 -6, .010 1. .00 24. .87 6

ATOM 252 C LEU A 140 45, .133 78. .616 -7, .091 1. .00 26. .44 6

ATOM 253 O LEU A 140 46, .198 79. .085 -6, .700 1. .00 26, .02 8

ATOM 254 N THR A 141 44, .760 78. .631 -8, .374 1. .00 24. .97 7

ATOM 255 CA THR A 141 45, .560 79. .323 -9, .375 1. .00 24. .38 6

ATOM 256 CB THR A 141 45, .056 79. .090 -10, .805 1. .00 27, .70 6

ATOM 257 OGl THR A 141 45, .145 77, .682 -11 .100 1. .00 25, .44 8

ATOM 258 CG2 THR A 141 45, .875 79. .840 -11, .844 1. .00 26. .94 6

ATOM 259 C THR A 141 45, .607 80. .820 -9, .052 1. .00 22, .95 6

ATOM 260 O THR A 141 46, .707 81, .377 -9, .075 1. .00 25, .23 8

ATOM 261 N TYR A 142 44. .478 81. .420 -8, .716 1. .00 22. .77 7

ATOM 262 CA TYR A 142 44, .425 82. .819 -8, .311 1. .00 23. .64 6

ATOM 263 CB TYR A 142 43, .014 83, .204 -7, .848 1. .00 24. .41 6

ATOM 264 CG TYR A 142 42. .930 84. .600 -7, .261 1. .00 26. .83 6

ATOM 265 CDI TYR A 142 42. .736 85. .701 -8, .086 1. .00 27. .75 6

ATOM 266 CEl TYR A 142 42, .648 86. .980 -7, .556 1. .00 29. .05 6

ATOM 267 CZ TYR A 142 42. .780 87. .158 -6, .197 1. .00 29. .60 6

ATOM 268 OH TYR A 142 42, .705 88. .421 -5, .652 1. .00 30. .49 8

ATOM 269 CE2 TYR A 142 42, .981 86. .079 -5, .357 1. .00 27. .97 6

ATOM 270 CD2 TYR A 142 43, .057 84, .806 -5, .895 1. .00 27, .28 6

ATOM 271 C TYR A 142 45. .425 83. .073 -7. .187 1. .00 24. .22 6

ATOM 272 O TYR A 142 46. .182 84. .058 -7, .205 1. .00 22. .74 8

ATOM 273 N LEU A 143 45. .388 82. .216 -6, .152 1. .00 23. .61 7

ATOM 274 CA LEU A 143 46. .315 82. .435 -5. .036 1. .00 24. .60 6 ATOM 275 CB LEU A 143 45..951 81..512 -3..865 1..00 23..75 6

ATOM 276 CG LEU A 143 44. .661 81. .813 -3. .122 1. .00 23. .41 6

ATOM 277 CDI LEU A 143 44. .322 80. .662 -2, .165 1. .00 22, .69 6

ATOM 278 CD2 LEU A 143 44. .736 83, .128 -2, .357 1. .00 27, .12 6

ATOM 279 C LEU A 143 47. .773 82, .290 -5, .409 1. .00 25, .56 6

ATOM 280 O LEU A 143 48. .605 83, .127 -5, .008 1. .00 26, .11 8

ATOM 281 N GLN A 144 48. .154 81. .292 -6, .195 1. .00 23, .53 7

ATOM 282 CA GLN A 144 49. .524 81. .036 -6, .592 1. .00 25, .62 6

ATOM 283 CB GLN A 144 49. .662 79. .708 -7, .352 1. .00 30, .52 6

ATOM 284 CG GLN A 144 49, .233 78. .499 -6, .530 1. .00 31, . 66 6

ATOM 285 CD GLN A 144 49, .270 77. .197 -7, .313 1. .00 29. . 11 6

ATOM 286 OEl GLN A 144 48. .834 77, .154 -8 .463 1. .00 28, .49 8

ATOM 287 NE2 GLN A 144 49. .806 76, .148 -6 .688 1. .00 30, .06 7

ATOM 288 C GLN A 144 50. .074 82, .172 -7, .464 1. .00 25, .71 6

ATOM 289 O GLN A 144 51. .247 82, .511 -7, .326 1. .00 28, .32 8

ATOM 290 N GLU A 145 49. .242 82, .792 -8, .293 1. .00 26, .80 7

ATOM 291 CA GLU A 145 49. .673 83. .894 -9, .144 1. .00 30, .19 6

ATOM 292 CB GLU A 145 48. .689 84. .101 -10, .305 1. .00 34, .06 6

ATOM 293 CG GLU A 145 48. .601 82. .890 -11, .227 1. .00 33, .61 6

ATOM 294 CD GLU A 145 49. .927 82, .590 -11 .901 1. .00 37, .01 6

ATOM 295 OEl GLU A 145 50. .425 83, .501 -12 .612 1. .00 34, .56 8

ATOM 296 OE2 GLU A 145 50. .362 81, .372 -11 .717 0. .00 51, .92 8

ATOM 297 C GLU A 145 49, .794 85, .207 -8, .381 1. .00 32, .81 6

ATOM 298 O GLU A 145 50. .448 86, .154 -8, .818 1. .00 34, .49 8

ATOM 299 N ARG A 146 49. .227 85, .230 -7, .188 1. .00 31, .65 7

ATOM 300 CA ARG A 146 49, .208 86, .373 -6, .294 1. .00 34, .37 6

ATOM 301 CB ARG A 146 47. .884 86, .283 -5, .525 1. .00 37. .47 6

ATOM 302 CG ARG A 146 47. .037 87, .525 -5, .616 1. .00 34. .52 ,6

ATOM 303 CD ARG A 146 47, .328 88, .450 -4 .433 1. .00 37, .31 6

ATOM 304 NE ARG A 146 46, .106 89, .047 -4 .036 1. .00 33, .27 7

ATOM 305 CZ ARG A 146 45, .462 89, .896 -3 .312 1. .00 36, .91 6

ATOM 306 NHl ARG A 146 46, .094 90, .700 -2 .468 1. .00 33, .15 7

ATOM 307 NH2 ARG A 146 44, .139 89, .925 -3, .460 1. .00 33, .31 7

ATOM 308 C ARG A 146 50, .366 86, .335 -5, .312 1. .00 35, .26 6

ATOM 309 O ARG A 146 50, .494 87, .218 -4, .457 1. .00 37. .90 8

ATOM 310 N GLY A 147 51, .178 85, .285 -5, .373 1. .00 34. .02 7

ATOM 311 CA GLY A 147 52, .348 85 .152 -4 .530 1, .00 35, .75 6

ATOM 312 C GLY A 147 52, .266 84, .060 -3 .485 1, .00 35, .46 6

ATOM 313 O GLY A 147 53, .291 83, .680 -2 .906 1. .00 37, .18 8

ATOM 314 N PHE A 148 51, .065 83, .540 -3 .238 1. .00 34, .57 7

ATOM 315 CA PHE A 148 50, .893 82, .487 -2 .252 1. .00 34, .27 6

ATOM 316 CB PHE A 148 49, .414 82, .214 -1, .968 1. .00 30, .08 6

ATOM 317 CG PHE A 148 48, .757 83, .297 -1, .165 1. .00 30, .71 6

ATOM 318 CDI PHE A 148 48, .451 83, .082 0, .170 1. .00 30, .23 6

ATOM 319 CEl PHE A 148 47, .845 84. .073 0. .915 1. .00 30. .50 6

ATOM 320 CZ PHE A 148 47 .543 85 .291 0 .336 1. .00 31, .09 6

ATOM 321 CE2 PHE A 148 47, .847 85 .518 -0 .991 1. .00 31, .43 6

ATOM 322 CD2 PHE A 148 48, .454 84, .523 -1 .730 1, .00 27, .85 6

ATOM 323 C PHE A 148 51, .547 81, .177 -2 .669 1. .00 35, .48 6

ATOM 324 O PHE A 148 51, .220 80, .592 -3 .702 1. .00 37, .79 8

ATOM 325 N THR A 149 52, .491 80, .735 -1, .859 1. .00 34, .55 7

ATOM 326 CA THR A 149 53, .154 79, .457 -2, .051 1. .00 33, .17 6

ATOM 327 CB THR A 149 54, .459 79, .400 -1, .240 1. .00 34. .40 6

ATOM 328 OGl THR A 149 54, .133 79, .717 0 .123 1. .00 37, .34 8

ATOM 329 CG2 THR A 149 55, .464 80, .415 -1 .762 1. .00 37, .17 6

ATOM 330 C THR A 149 52, .211 78, .382 -1, .511 1. .00 32, .61 6

ATOM 331 O THR A 149 51, .423 78, .678 -0, .606 1. .00 32. .13 8 ATOM 332 N ASP A 150 52..477 77..122 -1..830 1..00 33..57 7

ATOM 333 CA ASP A 150 51. .676 76. .034 -1. .266 1. .00 34. .62 6

ATOM 334 CB ASP A 150 51. .911 74. .746 -2. .050 1. ,00 33. .75 6

ATOM 335 CG ASP A 150 51. .303 74. .816 -3. .441 1. ,00 34. .19 6

ATOM 336 OD1 ASP A 150 50. .687 75. .854 -3. .789 1. .00 32. .34 8

ATOM 337 OD2 ASP A 150 51. .434 73. .826 -4. .194 1. .00 35. .57 8

ATOM 338 C ASP A 150 51. .939 75. .896 0. .229 1. .00 35, .57 6

ATOM 339 O ASP A 150 51. .017 75. .567 0. .986 1. .00 35. .83 8

ATOM 340 N ALA A 151 53. .145 76. .246 0. .681 1. .00 33. .31 7

ATOM 341 CA ALA A 151 53. .474 76. .240 2. .097 1. .00 33. .69 6

ATOM 342 CB ALA A 151 54. .976 76. .363 2. .319 1. .00 35. .60 6

ATOM 343 C ALA A 151 52. .757 77. .345 2. .864 1. .00 32. .40 6

ATOM 344 O ALA A 151 52. .268 77. .087 3. .965 1. .00 32. .63 8

ATOM 345 N LEU A 152 52. .647 78. .545 2. .304 1. .00 30. .62 7

ATOM 346 CA LEU A 152 51. .917 79. .612 2. .984 1. .00 29. .34 6

ATOM 347 CB LEU A 152 52. .090 80. .970 2. .297 1. .00 29. .39 6

ATOM 348 CG LEU A 152 51. .216 82. .105 2. .841 1. .00 28. .91 6

ATOM 349 CDI LEU A 152 51. .487 82. .364 4. .316 1. .00 32. .68 6

ATOM 350 CD2 LEU A 152 51. .441 83. .378 2. .033 1. .00 31. .11 6

ATOM 351 C LEU A 152 50. .442 79. .266 3. .102 1. .00 26. .45 6

ATOM 352 O LEU A 152 49. .792 79. .537 4. .113 1. .00 26. .24 8

ATOM 353 N ILE A 153 49. .884 78. .647 2. .058 1. .00 25. .83 7

ATOM 354 CA ILE A 153 48. .486 78. .216 2. .091 1. .00 25. .71 6

ATOM 355 CB ILE A 153 48. .053 77. .633 0, .738 1. .00 25. .95 6

ATOM 356 CGI ILE A 153 47. .962 78. .738 -0, .321 1. .00 25. .29 6

ATOM 357 CDI ILE A 153 47, .793 78. .212 -1, .734 1. .00 30. .33 6

ATOM 358 CG2 ILE A 153 46, .731 76. .886 0, .839 1. .00 26. .32 6

ATOM 359 C ILE A 153 48, .285 77. .204 3, .215 1. .00 24. .43 6

ATOM 360 O ILE A 153 47, .329 77, .318 3, .981 1. .00 22. .76 8

ATOM 361 N LYS A 154 49, .205 76, .257 3, .361 1. .00 25. .36 7

ATOM 362 CA LYS A 154 49, .120 75, .287 4, .444 1. .00 26. .99 6

ATOM 363 CB LYS A 154 50, .081 74, .118 4, .210 1. .00 29. .94 6

ATOM 364 CG LYS A 154 49, .887 72, .980 5, .210 1. .00 33, .23 6

ATOM 365 CD LYS A 154 50, .881 71, .861 4, .926 1. .00 33. .86 6

ATOM 366 CE LYS A 154 50, .544 70, .603 5, .714 1. .00 35, .61 6

ATOM 367 NZ LYS A 154 51, .363 69, .457 5, .281 0. .00 42, .72 7

ATOM 368 C LYS A 154 49, .379 75, .912 5, .810 1. .00 26, .64 6

ATOM 369 O LYS A 154 48, .573 75 .710 6, .729 1. .00 27, .68 8

ATOM 370 N GLU A 155 50, .292 76 .878 5, .898 1. .00 27, .24 7

ATOM 371 CA GLU A 155 50, .580 77, .523 7, .180 1. .00 28, .23 6

ATOM 372 CB GLU A 155 51, .813 78 .419 7, .039 1. .00 33, .16 6

ATOM 373 CG GLU A 155 52, .141 79 .207 8 .297 1. .00 36, .57 6

ATOM 374 CD GLU A 155 53, .422 80 .011 8 .156 1. .00 43, .23 6

ATOM 375 OEl GLU A 155 54 .397 79 .485 7 .573 1. .00 44, .59 8

ATOM 376 OE2 GLU A 155 53 .430 81 .161 8 .636 1. .00 44, .60 8

ATOM 377 C GLU A 155 49, .397 78 .314 7 .712 1. .00 27, .84 6

ATOM 378 O GLU A 155 49, .075 78 .234 8 .907 1. .00 28, .86 8

ATOM 379 N ARG A 156 48 .718 79 .076 6 .856 1. .00 24, .29 7

ATOM 380 CA ARG A 156 47 .574 79 .866 7 .264 1. .00 24, .01 6

ATOM 381 CB ARG A 156 47 .532 81 .219 6 .513 1. .00 27, .32 6

ATOM 382 CG ARG A 156 48 .869 81 .921 6 .689 1. .00 32, .27 6

ATOM 383 CD ARG A 156 48 .944 83 .354 7 .065 1. .00 38, .07 6

ATOM 384 NE ARG A 156 48, .355 83 .872 8 .252 1. .00 34, .10 7

ATOM 385 CZ ARG A 156 48 .686 84 .654 9 .261 1. .00 33, .83 6

ATOM 386 NHl ARG A 156 49 .872 85 .203 9 .489 1. .00 32, .24 7

ATOM 387 NH2 ARG A 156 47, .736 84 .903 10 .174 1. .00 26, .42 7

ATOM 388 C ARG A 156 46, .257 79 .113 7 .142 1. .00 22, .57 6 ATOM 389 O ARG A 156 45..223 79..635 7..549 1..00 23,.80 8

ATOM 390 N GLY A 157 46, .294 77. .881 6. .636 1. .00 21, .78 7

ATOM 391 CA GLY A 157 45, .090 77. .074 6. .483 1. .00 23, .34 6

ATOM 392 C GLY A 157 44, .038 77, .690 5. .576 1. .00 21, .22 6

ATOM 393 O GLY A 157 42, .831 77. .581 5. .825 1. .00 24, .35 8

ATOM 394 N ILE A 158 44, .503 78, .336 4. .500 1. .00 21, .25 7

ATOM 395 CA ILE A 158 43, .602 78, .956 3. .545 1. .00 20, .87 6

ATOM 396 CB ILE A 158 44, .328 79, .936 2. .616 1. .00 22, .59 6

ATOM 397 CGI ILE A 158 44, .914 81, .062 3. .500 1. .00 23, .84 6

ATOM 398 CDI ILE A 158 45, .967 81, .864 2. .761 1. .00 26, .09 6

ATOM 399 CG2 ILE A 158 43, .401 80, .519 1. .569 1. .00 21, .72 6

ATOM 400 C ILE A 158 42. .910 77. .828 2. .766 1. .00 21, .59 6

ATOM 401 O ILE A 158 43. .558 76. .818 2. .491 1. .00 22, .67 8

ATOM 402 N GLY A 159 41. .644 78. .040 2. .502 1. .00 21. .35 7

ATOM 403 CA GLY A 159 40. .841 77. .038 1. .805 1. .00 24, .45 6

ATOM 404 C GLY A 159 39, .889 77. .690 0. .821 1. .00 25, .94 6

ATOM 405 O GLY A 159 40. .084 78. .835 0. .397 1. .00 26. .13 8

ATOM 406 N PHE A 160 38. .908 76. .914 0. .369 1. .00 24, .30 7

ATOM 407 CA PHE A 160 37, .917 77. .368 -0. .594 1. .00 23, .61 6

ATOM 408 CB PHE A 160 38, .306 76. .813 -1. .967 1. .00 26, .14 6

ATOM 409 CG PHE A 160 37, .310 76. .948 -3. .079 1. .00 26, .07 6

ATOM 410 CDI PHE A 160 37, .007 78, .174 -3. .640 1. .00 28, .04 6

ATOM 411 CEl PHE A 160 36, .099 78, .279 -4. .678 1. .00 28, .75 6

ATOM 412 CZ PHE A 160 35, .476 77, .149 -5. .168 1. .00 31, .16 6

ATOM 413 CE2 PHE A 160 35, .774 75, .916 -4. .621 1. .00 27, .55 6

ATOM 414 CD2 PHE A 160 36, .690 75, .814 -3. .594 1. .00 27, .67 6

ATOM 415 C PHE A 160 36, .521 76, .891 -0. .214 1. .00 25, .20 6

ATOM 416 O PHE A 160 36, .371 75, .704 0. .120 1. .00 24, .10 8

ATOM 417 N ALA A 161 35, .527 77, .755 -0. .258 1. .00 25, .28 7

ATOM 418 CA ALA A 161 34, .139 77, .420 -0, .014 1. .00 25, .75 6

ATOM 419 CB ALA A 161 33, .356 78, .498 0, .719 1. .00 22, .89 6

ATOM 420 C ALA A 161 33, .474 77, .201 -1, .378 1. .00 27, .56 6

ATOM 421 O ALA A 161 33, .399 78, .099 -2, .218 1. .00 27, .54 8

ATOM 422 N PRO A 162 33, .145 75, .951 -1, .658 1. .00 27, .85 7

ATOM 423 CA PRO A 162 32, .538 75, .632 -2. .942 1. .00 29, .56 6

ATOM 424 CB PRO A 162 32, .640 74, .119 -3, .013 1. .00 29, .14 6

ATOM 425 CG PRO A 162 32, .928 73, .622 -1, .651 1. .00 29, .21 6

ATOM 426 CD PRO A 162 33, .168 74, .796 -0, .742 1. .00 28, .01 6

ATOM 427 C PRO A 162 31, .114 76, .148 -3. .013 1. .00 30, .96 6

ATOM 428 O PRO A 162 30, .509 76, .549 -2, .019 1. .00 32, .06 8

ATOM 429 N ASP A 163 30, .575 76, .190 -4, .231 1. .00 35, .05 7

ATOM 430 CA ASP A 163 29, .191 76, .600 -4, .423 1. .00 36, .06 6

ATOM 431 CB ASP A 163 29, .007 77, .716 -5, .441 1, .00 39, .10 6

ATOM 432 CG ASP A 163 27, .568 78, .223 -5, .330 1, .00 42, .27 6

ATOM 433 OD1 ASP A 163 26, .827 77, .628 -4, .516 1, .00 44, .98 8

ATOM 434 OD2 ASP A 163 27, .238 79, .182 -6, .050 1, .00 45, .83 8

ATOM 435 C ASP A 163 28, .435 75, .333 -4, .853 1, .00 37, .41 6

ATOM 436 O ASP A 163 28 .465 74, .958 -6, .027 1, .00 39, .45 8

ATOM 437 N SER A 164 28 .184 74, .493 -3, .858 1, .00 38, .04 7

ATOM 438 CA SER A 164 27 .647 73, .153 -4, .058 1. .00 38, .09 6

ATOM 439 CB SER A 164 28 .685 72, .143 -3, .553 1, .00 39, .17 6

ATOM 440 OG SER A 164 28, .107 70, .932 -3, .115 1, .00 40, .16 8

ATOM 441 C SER A 164 26, .334 72, .954 -3, .324 1, .00 37, .67 6

ATOM 442 O SER A 164 26. .189 73. .427 -2. .197 1. .00 38. .58 8

ATOM 443 N SER A 165 25. .437 72. .128 -3. .879 1. .00 38. .78 7

ATOM 444 CA SER A 165 24. .195 71. .838 -3. .175 1. .00 39. .01 6

ATOM 445 CB SER A 165 23. .120 71. .367 -4. .156 1. .00 40. .81 6 ATOM 446 OG SER A 165 21.933 72.129 -4.017 1.00 41.86 8

ATOM 447 C SER A 165 24. 406 70. 796 -2. 082 1. 00 38. 14 6

ATOM 448 O SER A 165 23. 560 70. 675 -1. ,193 1. 00 39. ,84 8

ATOM 449 N HIS A 166 25. 518 70. 066 -2. ,115 1. 00 37. ,32 7

ATOM 450 CA HIS A 166 25. 769 69. ,033 -1. .124 1. 00 37. .30 6

ATOM 451 CB HIS A 166 25. ,900 67. ,676 -1. .840 1. ,00 36. .42 6

ATOM 452 CG HIS A 166 27. 051 67. .649 -2. .803 1. ,00 39. .20 6

ATOM 453 NDl HIS A 166 27. ,006 68. .261 -3. ,923 0. ,00 44. .03 7

ATOM 454 CEl HIS A 166 28. ,146 68. .136 -4. ,583 0. ,00 46. .24 6

ATOM 455 NE2 HIS A 166 28. .971 67. .422 -3. .845 0. .00 45. .12 7

ATOM 456 CD2 HIS A 166 28. ,359 67. .060 -2. .655 0. ,00 40. .63 6

ATOM 457 C HIS A 166 26. .989 69. .223 -0. .243 1. ,00 36. .10 6

ATOM 458 O HIS A 166 27. .255 68. .314 0. .558 1. ,00 36. .56 8

ATOM 459 N PHE A 167 27. .779 70. .277 -0. .432 1. .00 35. .65 7

ATOM 460 CA PHE A 167 28. .969 70. .451 0. .399 1. .00 35. .29 6

ATOM 461 CB PHE A 167 29. .745 71. .721 0. .032 1. .00 34. .82 6

ATOM 462 CG PHE A 167 30. .860 72. .065 0. .981 1. .00 30. .35 6

ATOM 463 CDI PHE A 167 32. .091 71. .439 0. .915 1. .00 30. .80 6

ATOM 464 CEl PHE A 167 33. .111 71. .766 1. .797 1. .00 27. .13 6

ATOM 465 CZ PHE A 167 32. .886 72. .729 2. .761 1. .00 27. .71 6

ATOM 466 CE2 PHE A 167 31. .668 73. .359 2. .850 1. .00 26. .52 6

ATOM 467 CD2 PHE A 167 30. .659 73. .029 1. .960 1. .00 33. .69 6

ATOM 468 C PHE A 167 28. .621 70. .485 1. .884 1. .00 34. .58 6

ATOM 469 O PHE A 167 29. .180 69. .711 2. .660 1. .00 35. .03 8

ATOM 470 N CYS A 168 27. .762 71. .420 2. .270 1. .00 33. .89 7

ATOM 471 CA CYS A 168 27. .408 71. .597 3. .671 1. .00 33. .76 6

ATOM 472 CB CYS A 168 26. .584 72, .878 3, .852 1, .00 34. .26 6

ATOM 473 SG CYS A 168 26. .306 73, .283 5, .590 1. .00 35. .89 16

ATOM 474 C CYS A 168 26. .671 70, .405 4. .259 1. .00 33. .26 6

ATOM 475 O CYS A 168 27. .086 69. .835 5. .278 1, .00 32. .91 8

ATOM 476 N HIS A 169 25, .651 69, .919 3, .544 1, .00 33. .46 7

ATOM 477 CA HIS A 169 24, .915 68, .745 4, .012 1, .00 33. .20 6

ATOM 478 CB HIS A 169 23, .842 68, .361 2, .989 1, .00 35. .82 6

ATOM 479 CG HIS A 169 23. .187 67, .049 3. .307 1, .00 39, .51 6

ATOM 480 NDl HIS A 169 23, .673 65. .859 2, .820 1, .00 39, .05 7

ATOM 481 CEl HIS A 169 22, .914 64, .866 3, .255 1, .00 39. .96 6

ATOM 482 NE2 HIS A 169 21, .958 65, .374 4, .014 1, .00 42, .10 7

ATOM 483 CD2 HIS A 169 22 .110 66 .^'742 4 .065 1 .00 41, .43 6

ATOM 484 C HIS A 169 25, .863 67, .589 4 .293 1, .00 32, .94 6

ATOM 485 O HIS A 169 25, .773 66, .954 5, .349 1, .00 34, .59 8

ATOM 486 N ASP A 170 26, .792 67, .296 3, .386 1, .00 31, .51 7

ATOM 487 CA ASP A 170 27 .762 66 .236 3 .572 1 .00 29, .93 6

ATOM 488 CB ASP A 170 28 .695 66 .083 2 .366 1 .00 30, .62 6

ATOM 489 CG ASP A 170 27 .611 65 .607 1 .344 0, .00 32, .19 6

ATOM 490 OD1 ASP A 170 26 .464 65 .326 1 .738 0 .00 41 .97 8

ATOM 491 OD2 ASP A 170 27 .838 65 .542 0 .213 1 .00 39 .48 8

ATOM 492 C ASP A 170 28 .626 66 .441 4 .814 1 .00 29, .72 6

ATOM 493 O ASP A 170 28 .944 65 .472 5 .508 1 .00 29, .18 8

ATOM 494 N PHE A 171 29 .114 67 .669 4 .992 1 .00 27 .75 7

ATOM 495 CA PHE A 171 29 .918 67 .982 6 .175 1 .00 27 .49 6

ATOM 496 CB PHE A 171 30 .437 69 .422 6 .074 1 .00 24 .90 6

ATOM 497 CG PHE A 171 31 .025 69 .925 7 .371 1 .00 25 .95 6

ATOM 498 CDI PHE A 171 32 .318 69 .628 7 .741 1 .00 25 .46 6

ATOM 499 CEl PHE A 171 32 .822 70 .104 8 .945 1 .00 23 .49 6

ATOM 500 CZ PHE A 171 32 .022 70 .876 9 .761 1 .00 23, .34 6

ATOM 501 CE2 PHE A 171 30 .723 71 .177 9 .401 1 .00 29 .35 6

ATOM 502 CD2 PHE A 171 30 .227 70 .699 8 .201 1 .00 28 .80 6 ATOM 503 C PHE A 171 29..105 67..746 7,.439 1..00 26,.23 6

ATOM 504 O PHE A 171 29. .545 67. .021 8, .335 1. .00 26, .71 8

ATOM 505 N LEU A 172 27. .912 68, .310 7, .533 1. .00 27, .32 7

ATOM 506 CA LEU A 172 27. .034 68, .146 8, .684 1. .00 28, .12 6

ATOM 507 CB LEU A 172 25. .723 68, .899 8, .438 1. .00 30 .38 6

ATOM 508 CG LEU A 172 25. .788 70, .429 8, .458 1. .00 33 .59 6

ATOM 509 CDI LEU A 172 24. .430 71, .019 8, .107 1. .00 30 .89 6

ATOM 510 CD2 LEU A 172 26. .244 70, .943 9, .815 1. .00 34 .17 6

ATOM 511 C LEU A 172 .26, .724 66, .683 8, .988 1. .00 30 .30 6

ATOM 512 O LEU A 172 26. .709 66 . .237 10, .139 1. .00 31, .13 8

ATOM 513 N GLN A 173 26, .476 65, .888 7, .956 1. .00 30 .05 7

ATOM 514 CA GLN A 173 26. .209 64. .460 8. .076 1. .00 31, .35 6

ATOM 515 CB GLN A 173 25. .792 63. .878 6. .725 1. .00 35, .72 6

ATOM 516 CG GLN A 173 24. .525 64. .488 6. .149 1. .00 41, .59 6

ATOM 517 CD GLN A 173 23. .323 64. .294 7. .052 1. .00 43, .57 6

ATOM 518 OEl GLN A 173 23. .431 63. .709 8, .130 1. .00 49, .32 8

ATOM 519 NE2 GLN A 173 22. .082 64. .701 6, .810 0. .00 50, .36 7

ATOM 520 C GLN A 173 27. .421 63. .718 8, .626 1. .00 30, .79 6

ATOM 521 O GLN A 173 27. .253 62. .850 9, .520 1. .00 30, .87 8

ATOM 522 N LYS A 174 28. .627 63. .953 8. .133 1. .00 29, .11 7

ATOM 523 CA LYS A 174 29. .820 63. .262 8, .598 1. .00 28, .86 6

ATOM 524 CB LYS A 174 31. .052 63. .603 7. .759 1. .00 29, .38 6

ATOM 525 CG LYS A 174 31. .135 62. .864 6, .434 1. .00 27, .14 6

ATOM 526 CD LYS A 174 32. .200 63. .464 5. .519 1. .00 27, .95 6

ATOM 527 CE LYS A 174 32. .265 62. .663 4, .224 1. .00 27, .89 6

ATOM 528 NZ LYS A 174 33. .028 63. .351 3, .145 1. .00 27, .51 7

ATOM 529 C LYS A 174 30. .112 63. .561 10, .071 1. .00 27, .77 6

ATOM 530 O LYS A 174 30. .559 62. .667 10, .789 1. .00 29, .65 8

ATOM 531 N LYS A 175 29. .896 64. .790 10, .511 1. .00 29, .29 7

ATOM 532 CA LYS A 175 30. .178 65. .191 11, .874 1. .00 28, .45 6

ATOM 533 CB LYS A 175 30. .497 66. .697 11. .936 1. .00 28, .21 6

ATOM 534 CG LYS A 175 31. .589 67. .148 10, .994 1. .00 25, .94 6

ATOM 535 CD LYS A 175 32. .876 66. .371 11, .130 1. .00 26, .39 6

ATOM 536 CE LYS A 175 33. .979 66. .937 10, .253 1. .00 23, .85 6

ATOM 537 NZ LYS A 175 35. .206 66, .094 10, .282 1. .00 20, .94 7

ATOM 538 C LYS A 175 29. .034 64, .936 12, .849 1. .00 29, .51 6

ATOM 539 O LYS A 175 29, .249 64. .952 14, .062 1. .00 29, .06 8

ATOM 540 N GLY A 176 27. .811 64. .858 12, .336 1. .00 30, .57 7

ATOM 541 CA GLY A 176 26, .646 64, .690 13, .211 1. .00 32, .03 6

ATOM 542 C GLY A 176 26, .266 66 . .041 13, .814 1. .00 32, .76 6

ATOM 543 O GLY A 176 25, .810 66 . .123 14 .955 1. .00 32, .81 8

ATOM 544 N TYR A 177 26, .518 61 . .118 13 .076 1. .00 33, .04 7

ATOM 545 CA TYR A 177 26, .180 68, .453 13 .550 1. .00 34, .83 6

ATOM 546 CB TYR A 177 27, .137 69, .529 13 .055 1. .00 33, .49 6

ATOM 547 CG TYR A 177 28, .446 69, .691 13 .791 1. .00 32, .33 6

ATOM 548 CDI TYR A 177 28, .486 69, .808 15 .173 1. .00 31, .30 6

ATOM 549 CEl TYR A 177 29, .682 69. .965 15 .845 1. .00 31, .00 6

ATOM 550 CZ TYR A 177 30, .861 70, .019 15 .131 1. .00 31, .04 6

ATOM 551 OH TYR A 177 32, .039 70. .171 15 .819 1. .00 30, .26 8

ATOM 552 CE2 TYR A 177 30, .853 69, .908 13 .757 1. .00 30, .28 6

ATOM 553 CD2 TYR A 177 29, .647 69, .752 13 .098 1. .00 30, .06 6

ATOM 554 C TYR A 177 24, .765 68, .822 13 .106 1. .00 36, .54 6

ATOM 555 O TYR A 177 24, .332 68, .466 12 .009 1. .00 38, .01 8

ATOM 556 N ASP A 178 24. .071 69. .558 13, .962 1. .00 37. .96 7

ATOM 557 CA ASP A 178 22. .713 70. .000 13, .652 1. .00 39. .77 6

ATOM 558 CB ASP A 178 21. .967 70. .253 14. .957 1. .00 41. .34 6

ATOM 559 CG ASP A 178 20. .532 70. .696 14. .771 1. .00 45. .19 6 ATOM 560 OD1 ASP A 178 20..295 71..924 14..775 1..00 47..02 8

ATOM 561 OD2 ASP A 178 19. .699 69. .771 14. .437 0. .00 50. .30 8

ATOM 562 C ASP A 178 22. .762 71. .234 12. .761 1. .00 40. .43 6

ATOM 563 O ASP A 178 23. .625 72. .105 12. .909 1. .00 40. .80 8

ATOM 564 N ILE A 179 21. .792 71. .373 11. .869 1. .00 40. .23 7

ATOM 565 CA ILE A 179 21, .666 72. .542 11. .003 1. .00 39. .61 6

ATOM 566 CB ILE A 179 20. .447 72. .381 10. .074 1. .00 42. .18 6

ATOM 567 CGI ILE A 179 20. .711 71. .372 9. .022 0. .00 38. .64 6

ATOM 568 CDI ILE A 179 19. .948 71. .604 7. .730 0. .00 39. .98 6

ATOM 569 CG2 ILE A 179 20, .396 73. .497 9. .045 1. .00 44. .05 6

ATOM 570 C ILE A 179 21. .542 73. .837 11. .790 1. .00 40. .08 6

ATOM 571 O ILE A 179 22. .103 74. .868 11. .406 1. .00 39. .39 8

ATOM 572 N GLU A 180 20, .827 73. .821 12. .913 1. .00 38, .94 7

ATOM 573 CA GLU A 180 20, .673 74. .978 13. .774 1. .00 39, .74 6

ATOM 574 CB GLU A 180 19, .665 74. .886 14. .754 0. .00 43. .53 6

ATOM 575 CG GLU A 180 18, .225 74. .652 14. .311 0. .00 47. .75 6

ATOM 576 CD GLU A 180 17, .211 74. .783 15. .504 0. .00 54, .60 6

ATOM 577 OEl GLU A 180 17, .651 74. .939 16. .685 0. .00 57, .19 8

ATOM 578 OE2 GLU A 180 15, .951 74. .765 15. .197 0. .00 55. .86 8

ATOM 579 C GLU A 180 21, .979 75. .504 14. .351 1. .00 39, .47 6

ATOM 580 O GLU A 180 22, .144 76. .715 14. .532 1. .00 40, .01 8

ATOM 581 N LEU A 181 22, .921 74. .617 14. .661 1. .00 39, .51 7

ATOM 582 CA LEU A 181 24. .214 75. .020 15. .196 1. .00 38. .49 6

ATOM 583 CB LEU A 181 25, .012 73, .819 15, .708 1. .00 39. .87 6

ATOM 584 CG LEU A 181 26, .225 74, .158 16. .556 0. .00 38, .56 6

ATOM 585 CDI LEU A 181 26, .023 75. .465 17. .313 0. .00 39. .68 6

ATOM 586 CD2 LEU A 181 26, .469 73, .007 17, .524 0. .00 38, .92 6

ATOM 587 C LEU A 181 25, .029 75, .784 14. .159 1. .00 38, .80 6

ATOM 588 O LEU A 181 25, .607 76. .823 14. .482 1. .00 37, .71 8

ATOM 589 N ALA A 182 25, .006 75. .335 12. .909 1. .00 39. .82 7

ATOM 590 CA ALA A 182 25, .719 75, .991 11, .823 1. .00 40, .52 6

ATOM 591 CB ALA A 182 25, .625 75. .180 10. .539 1. .00 41, .76 6

ATOM 592 C ALA A 182 25, .168 77. .396 11. .598 1. .00 41, .82 6

ATOM 593 O ALA A 182 25, .914 78, .368 11, .486 1. .00 43, .36 8

ATOM 594 N TYR A. .183 23, .843 77, .508 11, .594 1. .00 42, .01 7

ATOM 595 CA TYR A 183 23, .188 78, .799 11. .451 1. .00 41, .81 6

ATOM 596 CB TYR A 183 21, .661 78. .652 11. .432 1. .00 42. .75 6

ATOM 597 CG TYR A 183 20, .996 80, .016 11, .390 1. .00 43, .04 6

ATOM 598 CDI TYR A 183 21, .031 80, .774 10, .230 1. .00 43, .24 6

ATOM 599 CEl TYR A 183 20, .440 82, .021 10, .180 1. .00 43, .19 6

ATOM 600 CZ TYR A 183 19, .809 82, .519 11. .298 1. .00 43. .43 6

ATOM 601 OH TYR A 183 19, .275 83, .753 11, .220 0. .00 46, .44 8

ATOM 602 CE2 TYR A 183 19, .768 81, .785 12, .463 1. .00 43, .82 6

ATOM 603 CD2 TYR A 183 20, .362 80, .536 12. .507 1. .00 43, .76 6

ATOM 604 C TYR A 183 23, .597 79, .750 12, .569 1. .00 41, .88 6

ATOM 605 O TYR A 183 23, .995 80, .884 12, .309 1. .00 42, .06 8

ATOM 606 N GLU A 184 23, .552 79, .282 13. .813 1. .00 41, .31 7

ATOM 607 CA GLU A 184 23, .962 80, .071 14. .963 1. .00 41, .00 6

ATOM ■608 CB ^' GLU A 184 23, .647 79, .314 16, .258 1. .00 44, .40 6

ATOM 609 CG GLU A 184 22, .064 79, .181 16, .486 0. .00 47, .60 6

ATOM 610 CD GLU A 184 21. .225 80. .446 16, .510 0. .00 47, .21 6

ATOM 611 OEl GLU A 184 21, .821 81, .544 16, .516 0. .00 50, .52 8

ATOM 612 OE2 GLU A 184 19, .980 80. .346 16, .513 0. .00 52, .79 8

ATOM 613 C GLU A 184 25. .442 80. .433 14. .921 1. .00 40, .49 6

ATOM 614 O GLU A 184 25. .867 81. .497 15. .379 1. .00 39. .98 8

ATOM 615 N ALA A 185 26. .260 79. .551 14, .361 1. .00 39, .52 7

ATOM 616 CA ALA A 185 27. .687 79. .756 14. .201 1. .00 37. .85 6 ATOM 617 CB ALA A 185 28.,341 78.417 13.,868 1.00 36..19 6

ATOM 618 C ALA A 185 28. 045 80. 769 13. ,119 1. 00 37. .18 6

ATOM 619 O ALA A 185 29. .198 81. ,208 13. ,056 1. ,00 38. .00 8

ATOM 620 N GLY A 186 27. ,154 81. ,007 12. ,162 1. ,00 35. .76 7

ATOM 621 CA GLY A 186 27. .364 81. 976 11. ,105 1. 00 35. .29 6

ATOM 622 C GLY A 186 27. .895 81. .376 9. .814 1. .00 35. .37 6

ATOM 623 O GLY A 186 28. .481 82. .075 8. .986 1. .00 37. .19 8

ATOM 624 N LEU A 187 27. .733 80. ,063 9. .649 1. .00 34. .76 7

ATOM 625 CA LEU A 187 28. .216 79. .401 8. ,438 1. ,00 33. .57 6

ATOM 626 CB LEU A 187 28. .943 78. .099 8. .773 1. .00 29. .19 6

ATOM 627 CG LEU A 187 30. .280 78. .282 9. .511 1. ,00 29. .04 6

ATOM 628 CDI LEU A 187 30. .736 77. .014 10. .200 1. ,00 27. .67 6

ATOM 629 CD2 LEU A 187 31. .355 78. .782 8. .551 1. .00 27. .15 6

ATOM 630 C LEU A 187 27. .068 79. .216 7. .455 1. .00 34. .45 6

ATOM 631 O LEU A 187 27. .293 79. .108 6. .253 1. .00 35. .39 8

ATOM 632 N LEU A 188 25. .841 79. .261 7. .961 1. .00 35. .37 7

ATOM 633 CA LEU A 188 24. .655 79. .143 7. .116 1. .00 36. .27 6

ATOM 634 CB LEU A 188 23. .871 77. .879 7. .453 1. .00 38. .18 6

ATOM 635 CG LEU A 188 24. .425 76. .530 7. .033 1. .00 37. .31 6

ATOM 636 CDI LEU A 188 23, .526 75. .396 7. .484 1. .00 38. .09 6

ATOM 637 CD2 LEU A 188 24, .698 76. .456 5. .547 1. .00 38. .51 6

ATOM 638 C LEU A 188 23. .779 80. .381 7. .280 1. .00 37. .09 6

ATOM 639 O LEU A 188 23. .682 80. .904 8. .390 1. .00 37. .81 8

ATOM 640 N SER A 189 23, .164 80. .847 6, .202 1. .00 38, .32 7

ATOM 641 CA SER A 189 22, .318 82. .034 6. .277 1. .00 39, .74 6

ATOM 642 CB SER A 189 22, .823 83. .097 5. .296 1. .00 42, .20 6

ATOM 643 OG SER A 189 23, .622 83, .719 5, .049 0. .00 49. .48 8

ATOM 644 C SER A 189 20, .853 81. .709 6, .023 1. .00 40, .08 6

ATOM 645 O SER A 189 20, .498 80. .566 5, .739 1. .00 40, .75 8

ATOM 646 N TYR A 197 17, .761 77. .096 4. .724 1. .00 43, .74 7

ATOM 647 CA TYR A 197 19, .128 77, .563 4, .933 1, .00 43, .48 6

ATOM 648 CB TYR A 197 19, .764 76, .851 6, .128 1. .00 43, .88 6

ATOM 649 CG TYR A 197 19, .064 77, .066 7, .451 1. .00 44, .70 6

ATOM 650 CDI TYR A 197 19, .193 78, .260 8, .149 1, .00 45, .39 6

ATOM 651 CEl TYR A 197 18, .599 78, .391 9; .420 0, .00 44 .89 6

ATOM 652 CZ TYR A 197 17, .792 77, .460 9, .898 1, .00 46 .61 6

ATOM 653 OH TYR A 197 17, .177 77, .740 11, .124 0. .00 53, .55 8

ATOM 654 CE2 TYR A 197 17 .645 76 .259 9 .236 1, .00 46 .29 6

ATOM 655 CD2 TYR A 197 18 .281 76, .070 8, .021 1, .00 45 .85 6

ATOM 656 C TYR A 197 19 .969 77, .377 3, .674 1, .00 42 .45 6

ATOM 657 O TYR A 197 19, .662 76, .572 2, .793 1, .00 43, .37 8

ATOM 658 N TYR A 198 20 .987 78 .215 3, .525 1, .00 40 .49 7

ATOM 659 CA TYR A 198 21 .914 78, .164 2, .405 1, .00 38 .59 6

ATOM 660 CB TYR A 198 21 .438 79, .008 1, .223 1, .00 40 .18 6

ATOM 661 CG TYR A 198 21 .302 80 .481 1 .538 1, .00 41 .79 6

ATOM 662 CDI TYR A 198 22 .345 81 .364 1 .287 1, .00 42 .27 6

ATOM 663 CEl TYR A 198 22 .225 82 .710 1 .580 1, .00 43 .75 6

ATOM 664 CZ TYR A 198 21 .055 83, .185 2 .132 1, .00 45 .45 6

ATOM 665 OH TYR A 198 20 .929 84 .524 2 .427 1, .00 47 .01 8

ATOM 666 CE2 TYR A 198 20 .006 82 .329 2 .391 1, .00 44 .79 6

ATOM 667 CD2 TYR A 198 20 .137 80 .986 2 .097 1, .00 43 .31 6

ATOM 668 C TYR A 198 23 .290 78 .636 2 .877 1 .00 37 .54 6

ATOM 669 O TYR A 198 23 .363 79 .389 3 .851 1, .00 36 .88 8

ATOM 670 N ASP A 199 24 .344 78 .160 2 .227 1, .00 36 .52 7

ATOM 671 CA ASP A 199 25 .702 78 .513 2 .633 1, .00 36 .06 6

ATOM 672 CB ASP A 199 26 .721 77 .890 1 .678 1, .00 36 .09 6

ATOM 673 CG ASP A 199 26 .852 76 .387 1 .807 1, .00 38 .98 6 ATOM 674 OD1 ASP A 199 25..886 75..754 2..276 1..00 38..33 8

ATOM 675 OD2 ASP A 199 27. .911 75. .833 1. .443 1. .00 42. .32 8

ATOM 676 C ASP A 199 25. .899 80. .026 2. .636 1. .00 35. .69 6

ATOM 611 O ASP A 199 25. .708 80. .647 1. .590 1. .00 34. .97 8

ATOM 678 N ARG A 200 26. .520 80, .555 3. .690 1. .00 35. .72 7

ATOM 679 CA ARG A 200 26. .860 81. .973 3. .714 1. .00 35. .11 6

ATOM 680 CB ARG A 200 27. .223 82. .438 5. .129 1. .00 36. .08 6

ATOM 681 CG ARG A 200 27. .643 83. .908 5. .130 1. .00 39. .19 6

ATOM 682 CD ARG A 200 28. .151 84, .342 6. .490 1. .00 39. .96 6

ATOM 683 NE ARG A 200 28. .425 85. .777 6, .521 1. .00 39. .52 7

ATOM 684 CZ ARG A 200 27. .488 86, .720 6. .543 1. .00 41. .49 6

ATOM 685 NHl ARG A 200 26. .260 86. .427 6. .669 0. .00 41. .99 7

ATOM 686 NH2 ARG A 200 27. .859 87. .997 6. .568 1. .00 39. .06 7

ATOM 687 C ARG A 200 28. .024 82, .260 2, .770 1. .00 34. .50 6

ATOM 688 O ARG A 200 28. .100 83, .322 2, .146 1. .00 35. .60 8

ATOM 689 N PHE A 201 28. .980 81, .344 2. .726 1. .00 31. .78 7

ATOM 690 CA PHE A 201 30. .159 81. .465 1. .885 1. .00 31. .97 6

ATOM 691 CB PHE A 201 31. .415 81. .045 2. .666 1. .00 28. .97 6

ATOM 692 CG PHE A 201 31. .640 81. .870 3. .903 1. .00 31. .65 6

ATOM 693 CDI PHE A 201 32. .235 83, .118 3, .805 1. .00 34. .26 6

ATOM 694 CEl PHE A 201 32. .431 83, .893 4, .930 1. .00 31. .26 6

ATOM 695 CZ PHE A 201 32. .033 83, .434 6. .168 1. .00 32. .01 6

ATOM 696 CE2 PHE A 201 31. .431 82. .192 6. .280 1. .00 31. .58 6

ATOM 697 CD2 PHE A 201 31. .239 81. .421 5. .149 1. .00 32. .11 6

ATOM 698 C PHE A 201 30, .027 80, .574 0, .655 1. .00 31, .27 6

ATOM 699 O PHE A 201 29. .832 79, .368 0, .820 1. .00 32, .20 8

ATOM 700 N ARG A 202 30. .045 81, .147 -0, .545 1. .00 31. .13 7

ATOM 701 CA ARG A 202 30. .001 80. .285 -1, .733 1. .00 31. .21 6

ATOM 702 CB ARG A 202 28. .587 80. .032 -2. .221 1. .00 35, .92 6

ATOM 703 CG ARG A 202 27, .726 81, .249 -2, .477 1. .00 42, .03 6

ATOM 704 CD ARG A 202 26, .246 80, .881 -2, .375 1. .00 43. .35 6

ATOM 705 NE ARG A 202 25. .436 82, .074 -2, .152 1. .00 45. .96 7

ATOM 706 CZ ARG A 202 25. .479 82. .636 -0, .596 0. .00 41, .70 6

ATOM 707 NHl ARG A 202 26. .326 82. .436 0. .421 0. .00 69. .11 7

ATOM 708 NH2 ARG A 202 24, .588 83, .624 -0, .521 0. .00 69, .46 7

ATOM 709 C ARG A 202 30, .918 80, .805 -2, .825 1. .00 29, .37 6

ATOM 710 O ARG A 202 30, .887 81, .986 -3, .189 1. .00 30. .95 8

ATOM 711 N ASN A 203 31, .794 79, .916 -3, .278 1. .00 26. .99 7

ATOM 712 CA ASN A 203 32. .773 80. .240 -4, .308 1. .00 26. .74 6

ATOM 713 CB ASN A 203 32. .022 80. .630 -5. .593 1. .00 27. .93 6

ATOM 714 CG ASN A 203 32, .945 80, .646 -6, .790 1. .00 29, .15 6

ATOM 715 OD1 ASN A 203 33, .923 79, .906 -6, .841 1. .00 29. .12 8

ATOM 716 ND2 ASN A 203 32. .625 81, .504 -7, .753 1. .00 31. .19 7

ATOM 717 C ASN A 203 33. .710 81. .364 -3, .868 1. .00 27. .95 6

ATOM 718 O ASN A 203 33. .950 82, .332 -4, .587 1. .00 29. .06 8

ATOM 719 N ARG A 204 34, .312 81, .201 -2, .690 1. .00 25, .66 7

ATOM 720 CA ARG A 204 35, .190 82, .200 -2, .099 1. .00 27. .68 6

ATOM 721 CB ARG A 204 34, .438 83, .000 -1, .040 1. .00 27, .28 6

ATOM 722 CG ARG A 204 33, .566 84. .130 -1, .541 1. .00 29, .31 6

ATOM 723 CD ARG A 204 32. .624 84. .640 -0, .467 1. .00 29. .12 6

ATOM 724 NE ARG A 204 31, .758 85, .702 -0 .956 1. .00 31, .25 7

ATOM 725 CZ ARG A 204 32, .109 86, .951 -1, .232 1. .00 32, .74 6

ATOM 726 NHl ARG A 204 33, .358 87, .349 -1, .063 1. .00 30. .35 7

ATOM 727 NH2 ARG A 204 31. .196 87, .814 -1, .679 1. .00 33. .37 7

ATOM 728 C ARG A 204 36. .405 81. .537 -1, .455 1. .00 28. .07 6

ATOM 729 O ARG A 204 36. .315 80. .397 -0. .987 1. .00 25. .73 8

ATOM 730 N ILE A 205 37. .514 ~82. .260 -1, .438 1. .00 26. .02 7 ATOM 731 CA ILE A 205 38.751 81.,826 -0.,794 1.00 25.05 6

ATOM 732 CB ILE A 205 39. ,950 82. ,546 -1. .437 1. 00 24. .77 6

ATOM 733 CGI ILE A 205 39. .978 82. ,223 -2. .941 1. ,00 25. .52 6

ATOM 734 CDI ILE A 205 40. .731 83. .214 -3. .794 1. ,00 26. .19 6

ATOM 735 CG2 ILE A 205 41. .264 82. ,177 -0. .774 1. 00 25. .72 6

ATOM 736 C ILE A 205 38. .636 82. .175 0. .689 1. ,00 24. .79 6

ATOM 737 O ILE A 205 38. .232 83. .281 1. .042 1. ,00 23. .12 8

ATOM 738 N MET A 206 38. .740 81. .167 1. .545 1. .00 22. .21 7

ATOM 739 CA MET A 206 38. ,430 81. .279 2. .958 1. .00 21. .11 6

ATOM 740 CB MET A 206 37. .697 79. .985 3. .391 1. .00 22. .59 6

ATOM 741 CG MET A 206 37. .092 79. .177 2. .760 0. .00 28. .96 6

ATOM 742 SD MET A 206 35. .180 81. .201 3. .035 1. .00 17. .54 16

ATOM 743 CE MET A 206 34. .685 79. .837 5. .407 0. .00 35. .12 6

ATOM 744 C MET A 206 39. .654 81. .474 3. .838 1. ,00 21. .72 6

ATOM 745 O MET A 206 40. .606 80. .699 3. .822 1. ,00 20. .46 8

ATOM 746 N PHE A 207 39. .630 82. .594 4. .575 1. ,00 21. .42 7

ATOM 747 CA PHE A 207 40. .735 82. .881 5. .493 1. .00 23, .35 6

ATOM 748 CB PHE A 207 41. .266 84. .307 5. .269 1. .00 23. .04 6

ATOM 749 CG PHE A 207 41. .871 84. .550 3. .915 1. .00 22. .81 6

ATOM 750 CDI PHE A 207 43. .235 84. .491 3. .706 1. .00 25. .41 6

ATOM 751 CEl PHE A 207 43. .778 84. .712 2. .453 1. .00 25, .70 6

ATOM 752 CZ PHE A 207 42. .934 84. .995 1. .393 1. .00 22, .86 6

ATOM 753 CE2 PHE A 207 41. .571 85. .058 1. .590 1. .00 20, .29 6

ATOM 754 CD2 PHE A 207 41. .031 84. .839 2. .834 1. .00 22, .14 6

ATOM 755 C PHE A 207 40. .204 82. .767 6, .918 1. .00 20, .95 6

ATOM 756 O PHE A 207 39. .273 83. .469 7. .294 1. .00 21, .57 8

ATOM 757 N PRO A 208 40. .747 81, .839 7, .697 1. .00 22. .76 7

ATOM 758 CA PRO A 208 40, .306 81, .645 9, .067 1. .00 23, .75 6

ATOM 759 CB PRO A 208 41, .135 80, .474 9, .579 1. .00 23, .58 6

ATOM 760 CG PRO A 208 41, .708 79, .825 8, .368 1. .00 25, .74 6

ATOM 761 CD PRO A 208 41, .829 80, .903 7, .322 1. .00 22, .38 6

ATOM 762 C PRO A 208 40, .581 82, .885 9, .907 1. .00 22, .68 6

ATOM 763 O PRO A 208 41, .643 83, .483 9, .714 1. .00 25, .35 8

ATOM 764 N LEU A 209 39 .679 83 .219 10 .801 1. .00 22 .80 7

ATOM 765 CA LEU A 209 39, .868 84, .337 11, .728 1. .00 23, .43 6

ATOM 766 CB LEU A 209 38, .705 85, .314 11, .614 1. .00 22, .79 6

ATOM 767 CG LEU A 209 38 .377 85 .872 10 .225 1, .00 22 .72 6

ATOM 768 CDI LEU A 209 37 .176 86 .794 10 .319 1, .00 23 .93 6

ATOM 769 CD2 LEU A 209 39, .588 86, .543 9, .581 1. .00 21, .29 6

ATOM 770 C LEU A 209 39 .964 83 .767 13 .143 1. .00 24 .19 6

ATOM 771 O LEU A 209 38 .991 83 .218 13 .675 1, .00 24 .00 8

ATOM 772 N LYS A 210 41 .161 83 .812 13 .709 1, .00 24 .64 7

ATOM 773 CA LYS A 210 41, .401 83, .226 15, .028 1. .00 23, .19 6

ATOM 774 CB LYS A 210 42 .789 82 .584 15 .044 1, .00 23 .93 6

ATOM 775 CG LYS A 210 42 .811 81 .299 14 .218 1, .00 25 .97 6

ATOM 116 CD LYS A 210 44 .194 80 .678 14 .210 1, .00 27 .32 6

ATOM 111 CE LYS A 210 44 .283 79 .627 13 .114 1, .00 27 .78 6

ATOM 778 NZ LYS A 210 45 .676 79 .162 12 .909 1. .00 32 .53 7

ATOM 779 C LYS A 210 41 .285 84 .258 16 .138 1, .00 25 .75 6

ATOM 780 O LYS A 210 41 .580 85 .437 15 .921 1, .00 24 .84 8

ATOM 781 N ASN A 211 40 .738 83 .827 17 .271 1 .00 23 .99 7

ATOM 782 CA ASN A 211 40 .589 84 .714 18 .417 1, .00 22 .80 6

ATOM 783 CB ASN A 211 39 .461 84 .265 19 .336 1, .00 2 .86 6

ATOM 784 CG ASN A 211 39 .735 83 .010 20 .131 1, .00 19 .14 6

ATOM 785 OD1 ASN A 211 40 .830 82 .454 20 .189 1 .00 24 .68 8

ATOM 786 ND2 ASN A 211 38 .671 82 .545 20 .802 1, .00 23 .78 7

ATOM 787 C ASN A 211 41 .916 84 .840 19 .148 1, .00 22 .00 6 ATOM 788 O ASN A 211 42.958 84.339 18.718 1.00 22.85 8

ATOM 789 N ALA A 212 41.903 85.535 20.296 1.00 25.64 7

ATOM 790 CA ALA A 212 43.118 85.780 21.062 1.00 27.03 6

ATOM 791 CB ALA A 212 42.885 86.830 22.146 1.00 27.49 6

ATOM 792 C ALA A 212 43.742 84.528 21.646 1.00 28.08 6

ATOM 793 O ALA A 212 44.930 84.553 21.990 1.00 30.11 8

ATOM 794 N GLN A 213 43.003 83.412 21.733 00 26.92 7

ATOM 795 CA GLN A 213 43.625 82.156 22.134 .00 26.39 6

ATOM 796 CB GLN A 213 42.726 81.389 23.104 .00 29.96 6

ATOM 191 CG GLN A 213 42.616 82.007 24.485 ,00 26.91 6

ATOM 798 CD GLN A 213 41.645 83.166 24.526 ,00 30.03 6

ATOM 799 OEl GLN A 213 40.484 83.033 24.136 ,00 32.32 8

ATOM 800 NE2 GLN A 213 42.117 84.317 25.000 .00 27.19 7

ATOM 801 C GLN A 213 43.992 81.265 20.951 .00 27.65 6

ATOM 802 O GLN A 213 44.417 80.115 21.120 .00 27.63 8

ATOM 803 N GLY A 214 43.867 81.781 19.729 .00 24.97 7

ATOM 804 CA GLY A 214 44.230 81.049 18.531 .00 23.97 6

ATOM 805 C GLY A 214 43.107 80.121 18.062 .00 22.26 6

ATOM 806 O GLY A 214 43.376 79.266 17.213 .00 23.79 8

ATOM 807 N ARG A 215 41.886 80.339 18.528 .00 22.03 7

ATOM 808 CA ARG A 215 40.794 79.449 18.100 .00 22.77 6

ATOM 809 CB ARG A 215 39.875 79.150 19.284 .00 23.12 6

ATOM 810 CG ARG A 215 40.545 78.599 20.526 .00 23.36 6

ATOM 811 CD ARG A 215 41.293 77.301 20.296 .00 25.36 6

ATOM 812 NE ARG A 215 40.371 76.230 19.900 .00 26.46 7

ATOM 813 CZ ARG A 215 39.862 75.352 20.759 ,00 29.32 6

ATOM 814 NHl ARG A 215 40.177 75.382 22.050 .00 25.29 7

ATOM 815 NH2 ARG A 215 39.043 74.404 20.308 .00 28.70 7

ATOM 816 C ARG A 215 40.039 80.029 16.922 .00 22.72 6

ATOM 817 O ARG A 215 39.822 81.247 16.833 .00 23.86 8

ATOM 818 N ILE A 216 39.757 79.197 15.900 .00 22.24 7

ATOM 819 CA ILE A 216 39.033 79.746 14.739 .00 22.24 6

ATOM 820 CB ILE A 216 39.045 78.790 13.535 .00 21.53 6

ATOM 821 CGI ILE A 216 40.476 78.415 13.147 1.00 21.99 6

ATOM 822 CDI ILE A 216 40.615 77.518 11.932 1.00 24.45 6

ATOM 823 CG2 ILE A 216 38.302 79.370 12.339 1. 00 24.09 6

ATOM 824 C ILE A 216 37.610 80.073 15.153 1.00 23.79 6

ATOM 825 O ILE A 216 36.890 79.183 15.628 1.00 26.35 8

ATOM 826 N VAL A 217 37.171 81.317 15.019 1.00 23.32 7

ATOM 827 CA VAL A 217 35.848 81.755 15.405 1.00 24.38 6

ATOM 828 CB VAL A 217 35.895 82.792 16.558 1.00 25.85 6

ATOM 829 CGI VAL A 217 36.442 82.172 17.830 1.00 26.58 6

ATOM 830 CG2 VAL A 217 36.712 84.020 16.166 1.00 27.85 6

ATOM 831 C VAL A 217 35.036 82.364 14.269 1 00 23.47 6

ATOM 832 O VAL A 217 33.875 82.733 14.463 1 00 26.19 8

ATOM 833 N GLY A 218 35.627 82.480 13.090 1 00 24.88 7

ATOM 834 CA GLY A 218 34.962 83.070 11.937 1 00 23.08 6

ATOM 835 C GLY A 218 35.851 82.947 10.706 1 00 22.24 6

ATOM 836 O GLY A 218 36.931 82.362 10.767 1 00 22.70 8

ATOM 837 N TYR A 219 35.362 83.443 9.572 1 00 23.74 7

ATOM 838 CA TYR A 219 36.054 83.418 8.307 1 00 25.42 6

ATOM 839 CB TYR A 219 35.512 82.313 7.360 1 00 24.43 6

ATOM 840 CG TYR A 219 35.948 80.932 7.796 1.00 22.15 6

ATOM 841 CDI TYR A 219 37.187 80.433 7.451 1.00 22.22 6

ATOM 842 CEl TYR A 219 37.606 79.181 7.855 1.00 22.78 6

ATOM 843 CZ TYR A 219 36.746 78.411 8.631 1.00 20.40 6

ATOM 844 OH TYR A 219 37.175 77.169 9.024 1.00 23.85 8 ATOM 845 CE2 TYR A 219 35..515 78..883 8..985 1.00 20..78 6

ATOM 846 CD2 TYR A 219 35. .106 80. .140 8. .576 1. ,00 23. .00 6

ATOM 847 C TYR A 219 35. .879 84. .726 7. .524 1. ,00 25. .53 6

ATOM 848 O TYR A 219 34. .888 85. .434 7. .673 1. ,00 27. .27 8

ATOM 849 N SER A 220 36. .869 84. .999 6. .688 1. .00 26. .34 7

ATOM 850 CA SER A 220 36. .755 86. .086 5. .724 1. .00 26. .85 6

ATOM 851 CB SER A 220 37. .773 87. .205 5. .854 1. .00 26. .48 6

ATOM 852 OG SER A 220 37. .413 88. .261 4. .959 1. .00 24. .75 8

ATOM 853 C SER A 220 36, .910 85. .423 4. .346 1. .00 26. .20 6

ATOM 854 O SER A 220 37, .962 84. .839 4. .071 1. .00 26. .51 8

ATOM 855 N GLY A 221 35, .861 85. .517 3. .534 1. .00 27, .08 7

ATOM 856 CA GLY A 221 35, .892 84. .923 2. .209 1. .00 27, .37 6

ATOM 857 C GLY A 221 36, .028 85. .972 1. .102 1. .00 24, .66 6

ATOM 858 O GLY A 221 35, .157 86. .831 0. .948 1. .00 27, .43 8

ATOM 859 N ARG A 222 37, .102 85. .842 0. .345 1. .00 24, .25 7

ATOM 860 CA ARG A 222 37, .339 86. .748 -0. .778 1. .00 27, .10 6

ATOM 861 CB ARG A 222 38, .830 87. .055 -0. .937 1. .00 27, .99 6

ATOM 862 CG ARG A 222 39, .097 88. .247 -1. .873 1, .00 23, .69 6

ATOM 863 CD ARG A 222 40, .546 88. .249 -2. .318 1, .00 28, .50 6

ATOM 864 NE ARG A 222 40, .963 89. .525 -2. .904 1, .00 25, .74 7

ATOM 865 CZ ARG A 222 40, .731 89, .931 -4. .138 1, .00 28 .04 6

ATOM 866 NHl ARG A 222 40, .060 89. .195 -5. .019 1. .00 32. .47 7

ATOM 867 NH2 ARG A 222 41, .178 91. .121 -4. .545 1. .00 30, .33 7

ATOM 868 C ARG A 222 36, .840 86. .139 -2. .089 1. .00 27. .81 6

ATOM 869 O ARG A 222 37, .163 85. .002 -2. .422 1. .00 26. .60 8

ATOM 870 N THR A 223 36, .139 86. .958 -2. .866 1. .00 28. .91 7

ATOM 871 CA THR A 223 35, .771 86. .557 -4. .229 1. .00 28. .55 6

ATOM 872 CB THR A 223 34, .770 87. .560 -4. .827 1. .00 31. .68 6

ATOM 873 OGl THR A 223 34, .352 87. .116 -6. .125 1. .00 32. .73 8

ATOM 874 CG2 THR A 223 35, .422 88. .931 -4. .946 1. .00 30. .57 6

ATOM 875 C THR A 223 37, .026 86. .490 -5. .083 1. .00 28, .86 6

ATOM 876 O THR A 223 38, .102 86. .952 -4. .681 1. .00 30, .20 8

ATOM 877 N TYR A 224 36, .952 85. .863 -6. .254 1. .00 28, .07 7

ATOM 878 CA TYR A 224 38, .040 85. .885 -7. .221 1. .00 29, .20 6

ATOM 879 CB TYR A 224 38 .980 84. .698 -7. .129 1. .00 29 .58 6

ATOM 880 CG TYR A 224 38 .327 83. .368 -7. .452 1. .00 30 .60 6

ATOM 881 CDI TYR A 224 38 .370 82, .853 -8, .742 1. .00 32 .16 6

ATOM 882 CEl TYR A 224 37 .750 81, .649 -9, .035 1. .00 31 .77 6

ATOM 883 CZ TYR A 224 37 .092 80, .958 -8, .045 1. .00 32 .17 6

ATOM 884 OH TYR A 224 36 .471 79, .761 -8, .345 1. .00 32 .20 8

ATOM 885 CE2 TYR A 224 37 .029 81, .455 -6, .761 1, .00 32 .30 6

ATOM 886 CD2 TYR A 224 37 .641 82, .663 -6, .476 1, .00 32 .86 6

ATOM 887 C TYR A 224 37, .420 86. .037 -8. .613 1. .00 29, .62 6

ATOM 888 O TYR A 224 38, .057 85. .875 -9. .642 1. .00 30, .57 8

ATOM 889 N THR A 225 36, .125 86. .343 -8. .600 1. .00 30, .90 7

ATOM 890 CA THR A 225 35, .308 86. .528 -9. .784 1. .00 33, .65 6

ATOM 891 CB THR A 225 34, .255 85. .410 -9. .960 1. .00 35, .53 6

ATOM 892 OGl THR A 225 33, .412 85. .391 -8, .798 1. .00 36, .74 8

ATOM 893 CG2 THR A 225 34, .888 84, .045 -10. .154 1. .00 34, .98 6

ATOM 894 C THR A 225 34, .554 87. .858 -9. .718 1. .00 34, .43 6

ATOM 895 O THR A 225 33, .579 88. .078 -10. .438 1. .00 36, .39 8

ATOM 896 N GLY A 226 34, .968 88. .739 -8, .814 1, .00 34, .29 7

ATOM 897 CA GLY A 226 34 .396 90. .061 -8. .657 1. .00 36, .28 6

ATOM 898 C GLY A 226 33 .026 90. .142 -8. .017 1, .00 36, .42 6

ATOM 899 O GLY A 226 32 .283 91. .099 -8, .279 1, .00 37, .39 8

ATOM 900 N GLN A 227 32 .666 89. .200 -7, .152 1, .00 37, .94 7

ATOM 901 CA GLN A 227 31 .349 89. .185 -6, .528 1. .00 38, .79 6 ATOM 902 CB GLN A 227 31.,036 87..795 -5.,972 1.00 42.,86 6

ATOM 903 CG GLN A 227 29. ,599 87. .622 -5. .508 1. 00 45. ,46 6

ATOM 904 CD GLN A 227 29. .331 86. .240 -4. .947 1. ,00 49. .69 6

ATOM 905 OEl GLN A 227 30. ,226 85. .395 -4. .898 1. ,00 52. .33 8

ATOM 906 NE2 GLN A 227 28. .175 85. .794 -4. .467 1. ,00 50. .12 7

ATOM 907 C GLN A 227 31. .251 90. .234 -5. .427 1. .00 40. .12 6

ATOM 908 0 GLN A 227 32. .226 90. .865 -5. .038 1. .00 41. .11 8

ATOM 909 N PRO A 229 30. .087 91. .541 -2. .239 1. ,00 37. .16 7

ATOM 910 CA PRO A 229 31. .200 92. .143 -1. .514 1. ,00 36. .68 6

ATOM 911 CB PRO A 229 30. .801 92. .075 -0. .050 1. .00 37. .39 6

ATOM 912 CG PRO A 229 29. .594 91. .206 0. .018 1. .00 37. .24 6

ATOM 913 CD PRO A 229 28. .936 91. .292 -1. .329 1. .00 37. .81 6

ATOM 914 C PRO A 229 32. .499 91. .417 -1. .801 1. .00 35. .81 6

ATOM 915 O PRO A 229 32. .547 90. .184 -1. .875 1. .00 36. .22 8

ATOM 916 N LYS A 230 33. .589 92. .152 -2. .008 1. .00 33. .54 7

ATOM 917 CA LYS A 230 34. .898 91. .564 -2. .299 1. .00 30. .47 6

ATOM 918 CB LYS A 230 35. .905 92. .695 -2, .463 1. .00 31. .39 6

ATOM 919 CG LYS A 230 37. .332 92. .304 -2, .793 1. .00 29. .85 6

ATOM 920 CD LYS A 230 37. .571 92. .479 -4. .290 1. .00 37. .66 6

ATOM 921 CE LYS A 230 39. .009 92, .230 -4, .677 1. .00 39. .87 6

ATOM 922 NZ LYS A 230 39. .728 91, .368 -3, .699 1. .00 43. .08 7

ATOM 923 C LYS A 230 35. .299 90, .595 -1, .189 1. .00 31. .95 6

ATOM 924 O LYS A 230 35. .702 89. .453 -1. .425 1. .00 30. .40 8

ATOM 925 N TYR A 231 35. .216 91, .086 0, .042 1. .00 30. .71 7

ATOM 926 CA TYR A 231 35. .424 90, .285 1, .232 1. .00 29. .18 6

ATOM 927 CB TYR A 231 36. .471 90, .867 2, .179 1. .00 28. .58 6

ATOM 928 CG TYR A 231 37, .880 90, .688 1, .674 1. .00 26, .97 6

ATOM 929 CDI TYR A 231 38. .618 89, .549 1, .953 1. .00 26. .63 6

ATOM 930 CEl TYR A 231 39. .903 89, .397 1, .478 1. .00 27. .14 6

ATOM 931 CZ TYR A 231 40. .466 90, .408 0, .717 1. .00 30. .05 6

ATOM 932 OH TYR A 231 41. .747 90 .274 0, .238 1. .00 32, .83 8

ATOM 933 CE2 TYR A 231 39. .752 91, .546 0, .427 1. .00 28, .28 6

ATOM 934 CD2 TYR A 231 38. .464 91, .685 0, .898 1. .00 27, .92 6

ATOM 935 C TYR A 231 34, .123 90 .169 2 .022 1. .00 29, .71 6

ATOM 936 O TYR A 231 33, .540 91, .166 2, .440 1. .00 30, .84 8

ATOM 937 N LEU A 232 33, .723 88, .929 2, .269 1. .00 30, .76 7

ATOM 938 CA LEU A 232 32, .542 88, .647 3, .068 1. .00 29. .05 6

ATOM 939 CB LEU A 232 31, .595 87 .709 2, .301 1, .00 30, .93 6

ATOM 940 CG LEU A 232 30, .315 87, .323 3, .042 1, .00 29, .07 6

ATOM 941 CDI LEU A 232 29, .431 88, .538 3, .273 1. .00 28, .74 6

ATOM 942 CD2 LEU A 232 29 .555 86, .248 2 .268 1, .00 28, .35 6

ATOM 943 C LEU A 232 32, .997 87 .970 4, .360 1. .00 29, .04 6

ATOM 944 O LEU A 232 33, .741 86, .992 4, .277 1. .00 30, .33 8

ATOM 945 N ASN A 233 32, .650 88, .531 5, .506 1. .00 31, .03 7

ATOM 946 CA ASN A 233 33 .054 87 .942 6 .781 1, .00 31, .62 6

ATOM 947 CB ASN A 233 33, .327 88 .945 7 .888 0, .00 31, .78 6

ATOM 948 CG ASN A 233 34, .441 89 .890 7, .613 1. .00 32, .53 6

ATOM 949 OD1 ASN A 233 35, .346 89, .364 6. .962 1, .00 31, .69 8

ATOM 950 ND2 ASN A 233 34 .183 91 .195 7 .542 1, .00 34, .82 7

ATOM 951 C ASN A 233 31, .866 87 .222 7 .414 1, .00 32, .32 6

ATOM 952 O ASN A 233 30, .753 87, .309 6. .891 1. .00 33, .26 8

ATOM 953 N SER A 234 32 .136 86 .457 8 .461 1, .00 32 .29 7

ATOM 954 CA SER A 234 31 .078 85 .785 9 .207 1, .00 33, .64 6

ATOM 955 CB SER A 234 31, .666 84 .925 10 .324 1, .00 34, .50 6

ATOM 956 OG SER A 234 32. .594 83, .976 9. .842 1. .00 31, .37 8

ATOM 957 C SER A 234 30 .190 86 .864 9 .818 1, .00 34, .74 6

ATOM 958 O SER A 234 30, .659 87 .972 10 .069 1, .00 34, .02 8 ATOM 959 N PRO A 235 28..920 86..553 10..032 1..00 35..36 7

ATOM 960 CA PRO A 235 28. .006 87. .468 10. .697 1. ,00 35. .74 6

ATOM 961 CB PRO A 235 26. .646 86. .812 10. .505 1. .00 36. .47 6

ATOM 962 CG PRO A 235 26. .930 85, .356 10. .372 1. .00 35, .47 6

ATOM 963 CD PRO A 235 28. .303 85, .232 9. .771 1. .00 35, .17 6

ATOM 964 C PRO A 235 28. .374 87. .601 12. .166 1. .00 36. .34 6

ATOM 965 O PRO A 235 29. .315 86. .928 12. .605 1. .00 35. .31 8

ATOM 966 N GLU A 236 27. .667 88, .444 12. .919 1. .00 36, .98 7

ATOM 967 CA GLU A 236 27. .976 88, .599 14. .341 1. .00 37, .53 6

ATOM 968 CB GLU A 236 27. .396 89, .893 14. .912 1. .00 37, .39 6

ATOM 969 CG GLU A 236 27. .825 91. .286 14. .248 0. .00 40, .73 6

ATOM 970 CD GLU A 236 29. .320 91, .519 14. .675 1. .00 36, .44 6

ATOM 971 OEl GLU A 236 30, .113 91, .118 13. .796 1. .00 40, .19 8

ATOM 972 OE2 GLU A 236 29. .711 91, .875 15. .808 1. .00 37, .79 8

ATOM 973 C GLU A 236 27, .429 87, .396 15. .103 1. .00 38, . 99 6

ATOM 974 O GLU A 236 26, .248 87, .082 14. .960 1. .00 40, .21 8

ATOM 975 N THR A 237 28, .282 86, .697 15. .843 1. .00 39, .77 7

ATOM 976 CA THR A 237 27. .803 85, .527 16. .580 1. .00 39. .92 6

ATOM 977 CB THR A 237 28, .336 84, .222 15, .981 1. .00 38, .46 6

ATOM 978 OGl THR A 237 29, .761 84, .156 15. .978 1. .00 36, .20 8

ATOM 979 CG2 THR A 237 28. .099 84, .318 14. .459 0. .00 47, .35 6

ATOM 980 C THR A 237 28. .161 85. .650 18. .059 1. .00 40. .42 6

ATOM 981 O THR A 237 29, .122 86, .374 18. .362 1. .00 41, .28 8

ATOM 982 N PRO A 238 27, .935 84, .545 18. .785 1. .00 40, .11 7

ATOM 983 CA PRO A 238 28, .340 84, .455 20. .179 1. .00 39, .19 6

ATOM 984 CB PRO A 238 27. .638 83. .209 20. .707 1. .00 39. .95 6

ATOM 985 CG PRO A 238 26, .165 83, .582 20, .017 0. .00 40, .57 6

ATOM 986 CD PRO A 238 26. .459 84, .327 18. .754 0. .00 41, .17 6

ATOM 987 C PRO A 238 29. .845 84, .351 20. .352 1. .00 37. .04 6

ATOM 988 O PRO A 238 30. .375 84, .608 21. .434 1. .00 38. .57 8

ATOM 989 N ILE A 239 30, .563 83, .942 19, .310 1. .00 35, .73 7

ATOM 990 CA ILE A 239 32, .002 83, .809 19. .330 1. .00 33, .43 6

ATOM 991 CB ILE A 239 32. .433 82, .363 18. .986 1. .00 32, .82 6

ATOM 992 CGI ILE A 239 31. .890 81, .992 17. .602 1. .00 30. .14 6

ATOM 993 CDI ILE A 239 32, .535 80, .784 16, .973 1. .00 32, .34 6

ATOM 994 CG2 ILE A 239 31. .950 81, .376 20, .039 1. .00 31. .40 6

ATOM 995 C ILE A 239 32. .720 84, .774 18, .391 1. .00 33. .78 6

ATOM 996 O ILE A 239 33, .943 84 .899 18, .521 1. .00 33, .00 8

ATOM 997 N PHE A 240 32, .048 85, .379 17, .414 1. .00 34, .15 7

ATOM 998 CA PHE A 240 32, .696 86, .320 16, .512 1. .00 34, .97 6

ATOM 999 CB PHE A 240 32. .804 85, .826 15. .066 1, .00 34, .09 6

ATOM 1000 CG PHE A 240 33, .425 86 .809 14, .108 1, .00 32, .17 6

ATOM 1001 CDI PHE A 240 34, .798 86 .980 14, .077 1. .00 32, .55 6

ATOM 1002 CEl PHE A 240 35, .381 87, .886 13, .204 1. .00 32, . 96 6

ATOM 1003 CZ PHE A 240 34. .586 88, .619 12, .347 1, .00 30. . 69 6

ATOM 1004 CE2 PHE A 240 33, .219 88 .457 12, .364 1, .00 29, .76 6

ATOM 1005 CD2 PHE A 240 32, .648 87, .558 13, .240 1. .00 31, .20 6

ATOM 1006 C PHE A 240 31. .999 87, .680 16, .503 1, .00 35, .65 6

ATOM 1007 O PHE A 240 30. .842 87, .842 16. .117 1, .00 37. .23 8

ATOM 1008 N GLN A 241 32, .778 88 .698 16, .844 1, .00 36, .24 7

ATOM 1009 CA GLN A 241 32, .316 90, .088 16. .818 1. .00 34, .45 6

ATOM 1010 CB GLN A 241 32, .305 90, .549 18, .238 0. .00 44, .12 6

ATOM 1011 CG GLN A 241 31. .263 91, .641 18, .421 0. .00 56. .61 6

ATOM 1012 CD GLN A 241 29, .849 91, .077 18, .604 0. .00 59, .31 6

ATOM 1013 OEl GLN A 241 29. .690 89, .918 18, .979 0. .00 65. .92 8

ATOM 1014 NE2 GLN A 241 28. .696 91, .711 18. .408 0. .00 61. .04 7

ATOM 1015 C GLN A 241 33. .318 90. .866 15. .959 1. .00 34. .46 6 ATOM 1016 O GLN A 241 34..437 91..083 16..418 1..00 34..50 8

ATOM 1017 N LYS A 242 32. .914 91. .308 14. .776 1. .00 34. .93 7

ATOM 1018 CA LYS A 242 33. .819 91. .959 13. .838 1. .00 34. .77 6

ATOM 1019 CB LYS A 242 33. .233 92, .582 12. .699 0. .00 53. .07 6

ATOM 1020 CG LYS A 242 32, .643 91, .601 11. .679 0. .00 42. .80 6

ATOM 1021 CD LYS A 242 31. .885 92. .318 10. .577 0. .00 45. .18 6

ATOM 1022 CE LYS A 242 31. .263 91. .305 9. .619 0. .00 46. .74 6

ATOM 1023 NZ LYS A 242 31. .200 91. .817 8. .922 1. .00 42. .73 7

ATOM 1024 C LYS A 242 34, .727 93, .002 14, .472 1. .00 36, .05 6

ATOM 1025 O LYS A 242 35, .945 93, .009 14, .280 1. .00 36, .10 8

ATOM 1026 N ARG A 243 34, .156 93, .899 15, .275 1. .00 35. .92 7

ATOM 1027 CA ARG A 243 34, .898 94, .935 15. .958 1. .00 35. .30 6

ATOM 1028 CB ARG A 243 33. .572 95. .784 16. .533 0. .00 44. .96 6

ATOM 1029 CG ARG A 243 32, .686 96, .376 15, .438 0. .00 53, .87 6

ATOM 1030 CD ARG A 243 32, .110 97, .728 15, .830 0. .00 70, .22 6

ATOM ' 1031 NE ARG A 243 31. .756 98, .544 14, .664 0. .00 75. .95 7

ATOM 1032 CZ ARG A 243 32, .523 99, .528 14, .206 0. .00 77. .68 6

ATOM 1033 NHl ARG A 243 33, .662 99, .820 14. .817 0. .00 77. .49 7

ATOM 1034 NH2 ARG A 243 32. .147 100. .218 13. .137 0. .00 75. .23 7

ATOM 1035 C ARG A 243 35, .796 94, .495 17, .092 1. .00 34, .64 6

ATOM 1036 O ARG A 243 36, .541 95, .336 17, .623 1. .00 34. .98 8

ATOM 1037 N LYS A 244 35, .749 93, .248 17, .553 1. .00 33. .75 7

ATOM 1038 CA LYS A 244 36, .583 92, .810 18. .661 1. .00 32. .88 6

ATOM 1039 CB LYS A 244 35, .748 91. .991 19. .658 1. .00 34. .78 6

ATOM 1040 CG LYS A 244 34 .609 92, .754 20, .309 1. .00 35, .86 6

ATOM 1041 CD LYS A 244 33, .975 92, .072 21, .441 0. .00 44. .36 6

ATOM 1042 CE LYS A 244 32, .688 92, .761 21, .872 0. .00 52. .58 6

ATOM 1043 NZ LYS A 244 31, .961 91. .991 22, .920 0. .00 53. .10 7

ATOM 1044 C LYS A 244 37, .782 91, .967 18, .240 1. .00 32. .50 6

ATOM 1045 0 LYS A 244 38 .771 91, .882 18, .980 1, .00 33, .40 8

ATOM 1046 N LEU A 245 37 .706 91, .322 17, .078 1, .00 30, .99 7

ATOM 1047 CA LEU A 245 38, .805 90, .473 16, .638 1. .00 30, .13 6

ATOM 1048 CB LEU A 245 38, .341 89, .516 15, .534 1. .00 32. .45 6

ATOM 1049 CG LEU A 245 39, .249 88, .292 15, .341 1. .00 31. .82 6

ATOM 1050 CDI LEU A 245 38 .405 87, .047 15 .110 1, .00 34, .02 6

ATOM 1051 CD2 LEU A 245 40 .222 88, .491 14, .194 1, .00 31, .13 6

ATOM 1052 C LEU A 245 40 .011 91, .272 16, .147 1. .00 28, .63 6

ATOM 1053 O LEU A 245 39, .904 92, .031 15, .188 1. .00 30, .19 8

ATOM 1054 N LEU A 246 41, .167 91, .023 16, .748 1. .00 26, .90 7

ATOM 1055 CA LEU A 246 42, .413 91, .644 16, .287 1. .00 25. .69 6

ATOM 1056 CB LEU A 246 43 .190 92, .184 17, .476 1, .00 28, .39 6

ATOM 1057 CG LEU A 246 44 .303 93, .200 17, .238 1, .00 27, .78 6

ATOM 1058 CDI LEU A 246 43, .783 94, .395 16, .445 1, .00 22, .57 6

ATOM 1059 CD2 LEU A 246 44, .866 93, .650 18, .587 1. .00 23, .37 6

ATOM 1060 C LEU A 246 43, .169 90, .594 15, .481 1. .00 23, .12 6

ATOM 1061 O LEU A 246 43 .742 89 .651 16 .035 1, .00 25, .21 8

ATOM 1062 N TYR A 247 43 .064 90, .685 14 .155 1, .00 21, .99 7

ATOM 1063 CA TYR A 247 43, .646 89, .653 13 .301 1, .00 22, .35 6

ATOM 1064 CB TYR A 247 43, .391 89, .910 11, .810 1, .00 23, .06 6

ATOM 1065 CG TYR A 247 43, .909 88, .798 10, .926 1. .00 22, .47 6

ATOM 1066 GDI TYR A 247 43, .091 87 .733 10 .549 1, .00 24 .07 6

ATOM 1067 CEl TYR A 247 43. .562 86, .716 9 .749 1, .00 24, .44 6

ATOM 1068 CZ TYR A 247 44, .865 86, .710 9, .318 1, .00 23, .64 6

ATOM 1069 OH TYR A 247 45, .352 85, .697 8, .529 1, .00 24, .85 8

ATOM 1070 CE2 TYR A 247 45. .707 87, .754 9, .677 1. .00 23, .57 6

ATOM 1071 CD2 TYR A 247 45, .216 88. .762 10, .477 1. .00 19. .79 6

ATOM 1072 C TYR A 247 45, .123 89, .457 13 .574 1, .00 22, .68 6 ATOM 1073 O TYR A 247 45..935 90..381 13..567 1..00 23..49 8

ATOM 1074 N ASN A 248 45, .541 88. .211 13. .783 1. .00 21. .08 7

ATOM 1075 CA ASN A 248 46. .895 87. .770 13, .965 1. .00 19. .30 6

ATOM 1076 CB ASN A 248 47. .818 88. .387 12. .901 1. .00 23. .16 6

ATOM 1077 CG ASN A 248 49. .022 87. .511 12. .644 1. .00 24. .89 6

ATOM 1078 OD1 ASN A 248 48. .887 86. .303 12. .408 1. .00 25. .59 8

ATOM 1079 ND2 ASN A 248 50, .208 88. .112 12, .681 1. .00 21, .38 7

ATOM 1080 C ASN A 248 47, .510 87. .997 15, .344 1. .00 18, .16 6

ATOM 1081 O ASN A 248 48, .676 87. .674 15. .556 1. .00 19. .34 8

ATOM 1082 N LEU A 249 46, .725 88. .471 16. .298 1. .00 20. .35 7

ATOM 1083 CA LEU A 249 47. .200 88. .726 17. .656 1. .00 21. .06 6

ATOM 1084 CB LEU A 249 46, .062 89. .275 18, .517 1. .00 23, .90 6

ATOM 1085 CG LEU A 249 46, .405 89. .495 20, .000 1. .00 27, .23 6

ATOM 1086 CDI LEU A 249 47, .527 90. .523 20. .110 1. .00 29. .24 6

ATOM 1087 CD2 LEU A 249 45. .162 89. .924 20. .765 1. .00 28. .09 6

ATOM 1088 C LEU A 249 47, .790 87. .485 18, .310 1. .00 21, .08 6

ATOM 1089 O LEU A 249 48, .930 87. .454 18, .786 1. .00 21, .26 8

ATOM 1090 N ASP A 250 47, .091 86. .353 18, .136 1. .00 23. .05 7

ATOM 1091 CA ASP A 250 47, .570 85. .081 18. .670 1. .00 24. .71 6

ATOM 1092 CB ASP A 250 46, .424 83. .998 18. .214 0. .00 30. .67 6

ATOM 1093 CG ASP A 250 46, .568 83, .640 16, .691 1, .00 38, .57 6

ATOM 1094 OD1 ASP A 250 46, .496 84. .387 15, .662 1. .00 31, .25 8

ATOM 1095 OD2 ASP A 250 46, .594 82. .391 16, .465 1. .00 38, .01 8

ATOM 1096 C ASP A 250 48, .975 84. .756 18, .205 1. .00 21. .57 6

ATOM 1097 O ASP A 250 49, .881 84. .442 18. .969 1. .00 23. .28 8

ATOM 1098 N LYS A 251 49, .195 84, .792 16, .897 1. .00 22. .97 7

ATOM 1099 CA LYS A 251 50, .459 84, .465 16, .282 1. .00 23. .36 6

ATOM 1100 CB LYS A 251 50, .252 84. .225 14, .780 1. .00 27. .02 6

ATOM 1101 CG LYS A 251 51, .496 83. .839 14. .021 1. .00 32. .68 6

ATOM 1102 CD LYS A 251 51, .180 83, .484 12, .570 1, .00 35. .19 6

ATOM 1103 CE LYS A 251 52, .460 83, .175 11, .804 1. .00 36, .80 6

ATOM 1104 NZ LYS A 251 53, .411 83, .758 11, .443 0, .00 39, .74 7

ATOM 1105 C LYS A 251 51, .518 85. .535 16, .509 1. .00 21. ,26 6

ATOM 1106 O LYS A 251 52, .688 85. .187 16, .711 1. .00 23. .15 8

ATOM 1107 N ALA A 252 51 .131 86, .802 16, .545 1, .00 21, .57 7

ATOM 1108 CA ALA A 252 52, .108 87, .888 16, .651 1, .00 21, .42 6

ATOM 1109 CB ALA A 252 51, .438 89, .150 16, .078 1. .00 19. .55 6

ATOM 1110 C ALA A 252 52, .582 88, .181 18, .063 1. .00 21. .20 6

ATOM llll O ALA A 252 53, .649 88. .782 18. .270 1. .00 21. .28 8

ATOM 1112 N ARG A 253 51 .840 87, .730 19 .065 1. .00 21, .33 7

ATOM 1113 CA ARG A 253 52, .110 88, .058 20, .459 1, .00 21, .56 6

ATOM 1114 CB ARG A 253 51, .197 87, .206 21, .372 1, .00 23, .34 6

ATOM 1115 CG ARG A 253 51, .315 87. .647 22. .827 1. .00 26, .65 6

ATOM 1116 CD ARG A 253 50, .370 86, .938 23, .773 1. .00 28. .28 6

ATOM 1117 NE ARG A 253 48 .962 87, .119 23, .471 1, .00 26, .67 7

ATOM 1118 CZ ARG A 253 48, .200 86, .182 22, .896 1, .00 29, .80 6

ATOM 1119 NHl ARG A 253 48, .711 85, .005 22, .580 1, .00 29, .29 7

ATOM 1120 NH2 ARG A 253 46, .924 86, .420 22, .646 1. .00 29, .32 7

ATOM 1121 C ARG A 253 53 .558 87 .924 20 .877 1, .00 21, .38 6

ATOM 1122 O ARG A 253 54 .140 88. .835 21, .493 1, .00 21, .60 8

ATOM 1123 N LYS A 254 54, .188 86, .784 20, .609 1, .00 21, .41 7

ATOM 1124 CA LYS A 254 55, .568 86, .535 20, .981 1. .00 21. .88 6

ATOM 1125 CB LYS A 254 55, .962 85, .102 20, .563 1. .00 25, .71 6

ATOM 1126 CG LYS A 254 57 .364 84, .760 21, .045 1, .00 29, .28 6

ATOM 1127 CD LYS A 254 57, .412 83, .124 20, .670 0. .00 33, .86 6

ATOM 1128 CE LYS A 254 58, .760 82, .543 21, .100 0. .00 50, .33 6

ATOM 1129 NZ LYS A 254 58, .963 81, .158 20, .594 0. .00 51. .57 7 ATOM 1130 C LYS A 254 56,.551 87..529 20..383 1..00 22..21 6

ATOM 1131 O LYS A 254 57 .391 88, .064 21 .123 1, .00 24, .06 8

ATOM 1132 N SER A 255 56, .437 87, .820 19. .089 1. .00 21. .28 7

ATOM 1133 CA SER A 255 57, .358 88, .788 18, .477 1, .00 20, .57 6

ATOM 1134 CB SER A 255 57 .350 88, .704 16 .954 1, .00 23, .27 6

ATOM , 1135 OG SER A 255 56, .077 88. .982 16, .429 1. .00 24. .96 8

ATOM 1136 C SER A 255 57, .057 90, .215 18, .921 1. .00 18, .36 6

ATOM 1137 O SER A 255 57 .988 91, .028 19, .000 1. .00 19, .60 8

ATOM 1138 N ILE A 256 55 .814 90, .554 19, .208 1, .00 18, .38 7

ATOM 1139 CA ILE A 256 55, .481 91. .877 19, .731 1. .00 18, .66 6

ATOM 1140 CB ILE A 256 53, .970 92, .031 19, .967 1. .00 19, .19 6

ATOM 1141 CGI ILE A 256 53 .213 91, .956 18, .631 1, .00 15, .97 6

ATOM 1142 CDI ILE A 256 51, .718 91. .879 18, .778 1. .00 18. .26 6

ATOM 1143 CG2 ILE A 256 53, .659 93, .301 20, .747 1. .00 17, .24 6

ATOM 1144 C ILE A 256 56 .232 92, .099 21, .043 1. .00 20, .28 6

ATOM 1145 O ILE A 256 56 .841 93, .149 21, .270 1, .00 20, .52 8

ATOM 1146 N ARG A 257 56. .205 91. .077 21, .916 1. .00 20. .85 7

ATOM 1147 CA ARG A 257 56, .914 91, .215 23, .186 1. .00 21. .07 6

ATOM 1148 CB ARG A 257 56 .510 90, .067 24, .124 1. .00 23, .03 6

ATOM 1149 CG ARG A 257 55, .055 90. .192 24. .554 1. .00 21. .61 6

ATOM 1150 CD ARG A 257 54, .656 88. .970 25, .386 1. .00 29. .05 6

ATOM 1151 NE ARG A 257 53, .402 89, .202 26, .083 1. .00 33. .81 1

ATOM 1152 CZ ARG A 257 52 .571 88, .286 26, .560 1. .00 36, .24 6

ATOM 1153 NHl ARG A 257 52, .843 86. .997 26, .413 1. .00 34. .28 7

ATOM 1154 NH2 ARG A 257 51, .456 88. .653 27, .181 1. .00 36. .31 7

ATOM 1155 C ARG A 257 58, .418 91, .253 23, .005 1. .00 20. .75 6

ATOM 1156 O ARG A 257 59, .076 92. .125 23, .579 1. .00 22. .07 8

ATOM 1157 N LYS A 258 58, .973 90. .380 22, .177 1. .00 19. .96 7

ATOM 1158 CA LYS A 258 60, .400 90. .299 21, .936 1. .00 20. .67 6

ATOM 1159 CB LYS A 258 60, .720 89, .102 21, .042 1. .00 25. .27 6

ATOM 1160 CG LYS A 258 62, .192 88. .900 20, .722 1. .00 25. .66 6

ATOM 1161 CD LYS A 258 62, .408 87. .518 20, .298 0. .00 45. .99 6

ATOM 1162 CE LYS A 258 63, .847 87. .328 19, .852 0. .00 56. .18 6

ATOM 1163 NZ ,LYS A 258 64, .116 85. .920 19. .448 0. .00 57. .73 7

ATOM 1164 C LYS A 258 60, .987 91. .577 21, .354 1. .00 23. .75 6

ATOM 1165 O LYS A 258 62, .037 92. .044 21, .796 1. .00 22. .94 8

ATOM 1166 N LEU A 259 60, .294 92, .161 20, .385 1. .00 22. .09 7

ATOM 1167 CA LEU A 259 60, .682 93. .386 19, .726 1. .00 21. .51 6

ATOM 1168 CB LEU A 259 60, .177 93. .346 18, .260 1. .00 20. .62 6

ATOM 1169 CG LEU A 259 60, .722 92. .175 17, .433 1. .00 21. .90 6

ATOM 1170 CDI LEU A 259 60, .019 92. .142 16. .080 1. .00 20. .87 6

ATOM 1171 CD2 LEU A 259 62, .230 92, .283 17, .284 1. .00 25. .11 6

ATOM 1172 C LEU A 259 60, .107 94, .629 20, .377 1. .00 20. .51 6

ATOM 1173 O LEU A 259 60, .409 95. .738 19, .925 1. .00 21. .85 8

ATOM 1174 N TYR A 260 59, .325 94. .473 21. .437 1. .00 19. .68 7

ATOM 1175 CA TYR A 260 58. .673 95. .558 22, .132 1. .00 18. .53 6

ATOM 1176 CB TYR A 260 59, .616 96, .291 23, .098 1. .00 20. .32 6

ATOM 1177 CG TYR A 260 58, .906 97. .224 24, .057 1. .00 19. .73 6

ATOM 1178 CDI TYR A 260 57. .579 97. .106 24. .381 1. .00 19. .39 6

ATOM 1179 CEl TYR A 260 56, .976 97. .948 25, .293 1. .00 30. .09 6

ATOM 1180 CZ TYR A 260 57, .679 98. .961 25, .888 1. .00 32. .44 6

ATOM 1181 OH TYR A 260 57. .040 99. .774 26. .576 0. .00 55. .14 8

ATOM 1182 CE2 TYR A 260 59. .003 99. .095 25. .383 0. .00 39. .90 6

ATOM 1183 CD2 TYR A 260 59. .614 98. .248 24. .671 1. .00 23. .72 6

ATOM 1184 C TYR A 260 58, .110 96. .604 21. .162 1. .00 20. .03 6

ATOM 1185 O TYR A 260 58. .310 97. .798 21. .327 1. .00 18. .03 8

ATOM 1186 N GLU A 261 57. .251 96. .111 20. .281 1. .00 17. .61 7 ATOM 1187 CA GLU A 261 56..634 96 ..971 19..276 1.,00 17..71 6

ATOM 1188 CB GLU A 261 57. .710 91 . .392 18. .256 1. .00 16. .39 6

ATOM 1189 CG GLU A 261 57. .116 98. .371 17. .240 1. .00 18. .82 6

ATOM 1190 CD GLU A 261 58. .058 98. .751 16. .130 1. .00 20. .76 6

ATOM 1191 OEl GLU A 261 59. .142 98. .152 15. .992 1. .00 22. .08 8

ATOM 1192 OE2 GLU A 261 57. .711 99. .684 15. .362 1. .00 20. .27 8

ATOM 1193 C GLU A 261 55. .519 96. .194 18. .581 1. .00 16. .91 6

ATOM 1194 0 GLU A 261 55. .710 95. .003 18, .287 1. .00 17. .52 8

ATOM 1195 N ILE A 262 54. .426 96. .881 18, .293 1. ,00 16. .50 7

ATOM 1196 CA ILE A 262 53. .347 96. .255 17, .516 1. .00 16. .73 6

ATOM 1197 CB ILE A 262 52. .026 96. .123 18, .267 1. ,00 14. .49 6

ATOM 1198 CGI ILE A 262 50. .976 95. .346 17, .455 1. ,00 17. .07 6

ATOM 1199 CDI ILE A 262 49. .790 94. .904 18. .292 1. .00 18. .24 6

ATOM 1200 CG2 ILE A 262 51. .456 97. .490 18. .680 1. .00 18. .05 6

ATOM 1201 C ILE A 262 53, .199 97, .113 16, .259 1. .00 17. .12 6

ATOM 1202 O ILE A 262 53. .329 98, .336 16. .339 1. .00 16. .39 8

ATOM 1203 N VAL A 263 52. .949 96. .485 15. .120 1. .00 17. .46 7

ATOM 1204 CA VAL A 263 52. .805 97, .225 13. .862 1. .00 15. .08 6

ATOM 1205 CB VAL A 263 53. .785 96 . .771 12. .782 1. .00 16. .50 6

ATOM 1206 CGI VAL A 263 53. .519 91 . .547 11. .489 1. ,00 16. .86 6

ATOM 1207 CG2 VAL A 263 55. .242 96 . .971 13, .181 1. .00 18. .10 6

ATOM 1208 C VAL A 263 51. .367 91 . .015 13. .375 1. .00 15. .51 6

ATOM 1209 O VAL A 263 50. .967 95 . .842 13, .267 1. .00 19. .17 8

ATOM 1210 N LEU A 264 50. .615 98, .091 13, .240 1. .00 14. .04 7

ATOM 1211 CA LEU A 264 49. .194 97. .968 12. .879 1. .00 15. .49 6

ATOM 1212 CB LEU A 264 48. .325 98, .956 13, .657 1. .00 18. .77 6

ATOM 1213 CG LEU A 264 46. .817 98, .944 13. .385 1. .00 16. .99 6

ATOM 1214 CDI LEU A 264 46. .175 97, .630 13. .794 1. .00 22. .58 6

ATOM 1215 CD2 LEU A 264 46, .173 100, .083 14, .178 1. .00 22. .39 6

ATOM 1216 C LEU A 264 49, .036 98, .253 11. .389 1. .00 18. .78 6

ATOM 1217 O LEU A 264 49, .454 99, .303 10, .909 1. .00 18, .64 8

ATOM 1218 N LEU A 265 48, .409 97, .317 10. .678 1. .00 18. .60 7

ATOM 1219 CA LEU A 265 48. .216 97, .428 9. .239 1. .00 20. .60 6

ATOM 1220 CB LEU A 265 48, .785 96, .190 8, .542 1. .00 19. .71 6

ATOM 1221 CG LEU A 265 50, .246 95, .854 8, .874 1. .00 20. .25 6

ATOM 1222 CDI LEU A 265 50. .727 94. .618 8. .132 1. .00 21. .87 6

ATOM 1223 CD2 LEU A 265 51, .153 97, .022 8, .517 1. .00 16. .39 6

ATOM 1224 C LEU A 265 46, .732 97, .608 8, .944 1. .00 19. .40 6

ATOM 1225 O LEU A 265 45 .903 97 .510 9, .849 1. .00 20, .95 8

ATOM 1226 N GLU A 266 46, .414 97, .889 7, .675 1. .00 20, .95 7

ATOM 1227 CA GLU A 266 45, .023 98, .185 7, .336 1. .00 23. .16 6

ATOM 1228 CB GLU A 266 45, .003 98, .946 6, .008 1. .00 27, .14 6

ATOM 1229 CG GLU A 266 45, .474 100, .362 6, .052 0. .00 39. .40 6

ATOM 1230 CD GLU A 266 45, .321 101, .089 4. .731 0. .00 41. .44 6

ATOM 1231 OEl GLU A 266 44, .901 100 .449 3, .744 0. .00 48, .44 8

ATOM 1232 OE2 GLU A 266 44, .948 101, .777 4, .542 1. .00 26, .61 8

ATOM 1233 C GLU A 266 44 .126 96 .956 7, .277 1. .00 26, .48 6

ATOM 1234 O GLU A 266 42, .975 97 .000 7, .714 1. .00 26, .26 8

ATOM 1235 N GLY A 267 44, .690 95, .835 6, .836 1. .00 27. .06 7

ATOM 1236 CA GLY A 267 43 .867 94, .631 6, .737 1. .00 28, .77 6

ATOM 1237 C GLY A 267 44, .660 93, .351 6, .906 1. .00 28. .11 6

ATOM 1238 O GLY A 267 45, .894 93 .282 6, .856 1. .00 27, .81 8

ATOM 1239 N PHE A 268 43, .887 92, .259 6, .986 1. .00 26, .17 7

ATOM 1240 CA PHE A 268 44, .507 90, .951 7, .192 1. .00 22. .76 6

ATOM 1241 CB PHE A 268 43, .481 89, .922 7, .651 1. .00 24, .93 6

ATOM 1242 CG PHE A 268 42, .551 89, .397 6. .598 1. .00 22. .12 6

ATOM 1243 CDI PHE A 268 42. .995 88. .439 5. .709 1. .00 27. .20 6 ATOM 1244 CEl PHE A 268 42..159 87..937 4..724 1.,00 24..39 6

ATOM 1245 CZ PHE A 268 40. .867 88. .401 4. .641 1. ,00 23. .33 6

ATOM 1246 CE2 PHE A 268 40. .402 89. .353 5, .523 1. .00 28. .06 6

ATOM 1247 CD2 PHE A 268 41. .250 89. .850 6, .503 1. .00 25. .66 6

ATOM 1248 C PHE A 268 45. .364 90. .538 6, .015 1. .00 21. .96 6

ATOM 1249 O PHE A 268 46, .341 89. .823 6, .261 1. .00 20, .71 8

ATOM 1250 N MET A 269 45, .115 90. .968 4, .769 1. .00 21, .09 7

ATOM 1251 CA MET A 269 45. .964 90. .586 3. .656 1. .00 21. .71 6

ATOM 1252 CB MET A 269 45. .391 90. .934 2. .280 1. .00 24. .32 6

ATOM 1253 CG MET A 269 46. .328 90. .504 1, .146 1. .00 24. .07 6

ATOM 1254 SD MET A 269 46. .527 88. .707 0, .958 1. .00 22. .24 16

ATOM 1255 CE MET A 269 44, .840 88. .203 1, .348 1. .00 23. .97 6

ATOM 1256 C MET A 269 47, .343 91, .239 3, .792 1. .00 20, .48 6

ATOM 1257 O MET A 269 48, .368 90, .621 3, .506 1. .00 21, .53 8

ATOM 1258 N ASP A 270 47. .339 92. .483 4. .293 1. .00 21. .51 7

ATOM 1259 CA ASP A 270 48. .641 93, .133 4, .508 1. .00 22. .61 6

ATOM 1260 CB ASP A 270 48. .457 94, .622 4, .797 1. .00 23. .64 6

ATOM 1261 CG ASP A 270 47. .753 95, .356 3, .656 1. .00 28. .81 6

ATOM 1262 OD1 ASP A 270 48, .115 95, .184 2, .475 1. .00 37. .09 8

ATOM 1263 OD2 ASP A 270 46, .817 96, .117 3, .971 1. .00 40, .31 8

ATOM 1264 C ASP A 270 49, .388 92, .380 5 .602 1. .00 19. .55 6

ATOM 1265 O ASP A 270 50. .612 92. .236 5, .536 1. .00 19. .84 8

ATOM 1266 N VAL A 271 48. .680 91, .880 6, .618 1. .00 20. .38 7

ATOM 1267 CA VAL A 271 49. .311 91, .115 7, .694 1. .00 18. .74 6

ATOM 1268 CB VAL A 271 48. .311 90, .865 8, .833 1. .00 19. .93 6

ATOM 1269 CGI VAL A 271 48, .896 89, .969 9, .912 1. .00 17. . 99 6

ATOM 1270 CG2 VAL A 271 47, .946 92, .222 9, .454 1. .00 22. . 11 6

ATOM 1271 C VAL A 271 49, .905 89, .811 7 .194 1. .00 18, . 11 6

ATOM 1272 O VAL A 271 51. .067 89, .512 7, .463 1. .00 19. .11 8

ATOM 1273 N ILE A 272 49. .123 89, .032 6, .441 1. .00 19. .78 7

ATOM 1274 CA ILE A 272 49. .636 87, .778 5, .888 1. .00 21. .92 6

ATOM 1275 CB ILE A 272 48. .581 87, .102 4, .988 1. .00 19. .70 6

ATOM 1276 CGI ILE A 272 47, .388 86, .634 5, .824 1. .00 24. .27 6

ATOM 1277 CDI ILE A 272 46, .218 86 .065 5, .041 1. .00 23. .76 6

ATOM 1278 CG2 ILE A 272 49, .209 85 .960 4 .196 1. .00 20. .31 6

ATOM 1279 C ILE A 272 50. .896 88, .036 5, .070 1. .00 20. .68 6

ATOM 1280 O ILE A 272 51. .910 87, .341 5, .181 1. .00 22. .76 8

ATOM 1281 N LYS A 273 50. .827 89, .029 4, .174 1. .00 22. .63 7

ATOM 1282 CA LYS A 273 51, .964 89 .329 3, .315 1. .00 21. .23 6

ATOM 1283 CB LYS A 273 51. .519 90 .233 2, .154 1. .00 24. .30 6

ATOM 1284 CG LYS A 273 50, .714 89 .510 1 .080 1. .00 23. .36 6

ATOM 1285 CD LYS A 273 51, .481 88 .296 0 .577 1. .00 25, .89 6

ATOM 1286 CE LYS A 273 50. .780 87, .583 -0, .568 1. .00 28. .86 6

ATOM 1287 NZ LYS A 273 51. .169 88, .211 -1, .863 1. .00 34. .77 7

ATOM 1288 C LYS A 273 53, .164 89 .898 4, .042 1. .00 19. .05 6

ATOM 1289 O LYS A 273 54, .297 89 .465 3, .759 1, .00 21. .28 8

ATOM 1290 N SER A 274 52, .981 90 .771 5, .033 1. .00 19, .21 7

ATOM 1291 CA SER A 274 54, .133 91 .268 5 .778 1. .00 20, .20 6

ATOM 1292 CB SER A 274 53, .735 92 .395 6 .741 1. .00 21. .35 6

ATOM 1293 OG SER A 274 53. .125 93, .453 6, .028 1. .00 23. .64 8

ATOM 1294 C SER A 274 54. .792 90, .161 6, .597 1. .00 19. .25 6

ATOM 1295 O SER A 274 56. .000 90 .104 6, .725 1. .00 19. .46 8

ATOM 1296 N ASP A 275 53. .960 89, .339 7, .237 1. .00 20. .61 7

ATOM 1297 CA ASP A 275 54. .439 88 .244 8, .084 1. .00 22. .55 6

ATOM 1298 CB ASP A 275 53, .257 87, .561 8, .754 1. .00 23. .33 6

ATOM 1299 CG ASP A 275 53, .553 86 .276 9 .490 1. .00 27. .38 6

ATOM 1300 OD1 ASP A 275 54. .406 85, .506 9, .004 1. .00 28. .82 8 ATOM 1301 OD2 ASP A 275 52.923 86.054 10.549 1..00 31.85 8

ATOM 1302 C ASP A 275 55.281 87.280 7.269 1, .00 22.28 6

ATOM 1303 O ASP A 275 56.407 86.938 657 1, .00 23.79 8

ATOM 1304 N THR A 276 54.806 86.887 080 1, .00 24.34 7

ATOM 1305 CA THR A 276 55.572 85.986 240 1, .00 26.35 6

ATOM 1306 CB THR A 276 54.796 85.464 008 1.00 28.90 6

ATOM 1307 OGl THR A 276 55.355 84.160 754 1.00 33.57 8

ATOM 1308 CG2 THR A 276 54.656 86.437 041 0.00 32.00 6

ATOM 1309 C THR A 276 56.884 86.613 793 1.00 25.69 6

ATOM 1310 O THR A 276 57.888 85.911 655 1, .00 26.19 8

ATOM 1311 N ALA A 277 56.920 87.943 658 1..00 25.24 7

ATOM 1312 CA ALA A 277 58.144 88.641 303 1..00 24.70 6

ATOM 1313 CB ALA A 277 57.846 90.001 3.675 1..00 23.08 6

ATOM 1314 C ALA A 277 59.104 88.816 5.469 1..00 24.09 6

ATOM 1315 O ALA A 277 60.285 89.112 5.224 1..00 27.27 8

ATOM 1316 N GLY A 278 58.714 88.488 6.702 1..00 22.77 7

ATOM 1317 CA GLY A 278 59.629 88.549 7.816 1..00 22.33 6

ATOM 1318 C GLY A 278 59.245 89.537 8.909 1..00 23.41 6

ATOM 1319 O GLY A 278 59.922 89.541 9.937 1..00 25.19 8

ATOM 1320 N LEU A 279 58.241 90.367 8.686 1..00 22.47 7

ATOM 1321 CA LEU A 279 57.804 91.322 9.711 1..00 21.11 6

ATOM 1322 CB LEU A 279 57.398 92.655 9.091 1.00 23.20 6

ATOM 1323 CG LEU A 279 57.006 93.734 10.123 1.00 20.26 6

ATOM 1324 CDI LEU A 279 58.216 94.096 10.955 1..00 22.80 6

ATOM 1325 CD2 LEU A 279 56.396 94.923 9.415 1..00 20.85 6

ATOM 1326 C LEU A 279 56.637 90.678 10.456 1..00 22.14 6

ATOM 1327 O LEU A 279 55.491 90.666 10.012 1..00 20.89 8

ATOM 1328 N LYS A 280 56.956 90.064 11.593 1..00 22.24 7

ATOM 1329 CA LYS A 280 56.063 89.161 12.295 1..00 23.53 6

ATOM 1330 CB LYS A 280 56.936 88.082 12.983 1..00 27.38 6

ATOM 1331 CG LYS A 280 57.822 87.310 12.021 1..00 30.89 6

ATOM 1332 CD LYS A 280 57.020 86.232 11.311 1..00 32.80 6

ATOM 1333 CE LYS A 280 57.878 85.446 10.336 1..00 34.23 6

ATOM 1334 NZ LYS A 280 57.042 84.746 9.319 1..00 30.67 7

ATOM 1335 C LYS A 280 55.192 89.773 13.373 1..00 21.67 6

ATOM 1336 O LYS A 280 54.149 89.233 13.743 1, .00 21.12 8

ATOM 1337 N ASN A 281 55.542 90.971 13.831 1, .00 21.56 7

ATOM 1338 CA ASN A 281 54.850 91.624 14.942 1..00 20.91 6

ATOM 1339 CB ASN A 281 55.838 92.394 15.819 1.00 18.29 6

ATOM 1340 CG ASN A 281 56.737 93.392 15.129 1.00 20.47 6

ATOM 1341 OD1 ASN A 281 57.019 94.488 15.656 1.00 21.61 8

ATOM 1342 ND2 ASN A 281 57.242 93.048 13.954 1.00 20.67 7

ATOM 1343 C ASN A 281 53.740 92.526 14.430 1..00 20.09 6

ATOM 1344 O ASN A 281 53.632 93.703 14.774 1.00 20.08 8

ATOM 1345 N VAL A 282 52.875 91.969 13.574 1.00 20.13 7

ATOM 1346 CA VAL A 282 51.835 92.677 12.874 1.00 18.06 6

ATOM 1347 CB VAL A 282 52.001 92.536 11.346 1 00 17.34 6

ATOM 1348 CGI VAL A 282 53.147 93.386 10.831 1 00 18.63 6

ATOM 1349 CG2 VAL A 282 52.226 91.068 10.954 1.00 16.45 6

ATOM 1350 C VAL A 282 50.432 92.174 13.172 1.00 19.28 6

ATOM 1351 O VAL A 282 50.193 90.964 13.309 1.00 19.74 8

ATOM 1352 N VAL A 283 49.496 93.101 13.257 1.00 18.69 7

ATOM 1353 CA VAL A 283 48.082 92.804 13.446 1.00 19.26 6

ATOM 1354 CB VAL A 283 47.581 92.888 14.891 1.00 19.86 6

ATOM 1355 CGI VAL A 283 48.340 92.016 15.872 1.00 17.52 6

ATOM 1356 CG2 VAL A 283 47.610 94.332 15.400 1.00 23.50 6

ATOM 1357 C VAL A 283 47.266 93.778 12.592 1.00 20.21 6 ATOM 1358 O VAL A 283 47..782 94..786 12..087 1..00 20..14 8

ATOM 1359 N ALA A 284 45. .969 93. .541 12. .506 1. .00 20, .10 7

ATOM 1360 CA ALA A 284 45. .040 94. .440 11. .842 1. .00 20. .03 6

ATOM 1361 CB ALA A 284 44. .998 94. .163 10. .343 1. .00 23. .79 6

ATOM 1362 C ALA A 284 43. .650 94. .226 12. .427 1. .00 20, .82 6

ATOM 1363 O ALA A 284 43. .361 93. .108 12. .879 1. .00 21. .72 8

ATOM 1364 N THR A 285 42. .811 95. .248 12. .371 1. .00 20. .78 7

ATOM 1365 CA THR A 285 41. .412 95. .051 12. .755 1. .00 21, .25 6

ATOM 1366 CB THR A 285 40. .699 96. .363 13. .108 1. .00 23, .85 6

ATOM 1367 OGl THR A 285 40. .562 97. .149 11. .913 1. .00 24. .34 8

ATOM 1368 CG2 THR A 285 41. .486 97. .130 14. .153 1. .00 25. .79 6

ATOM 1369 C THR A 285 40. .716 94. .438 11. .538 1. .00 22, .58 6

ATOM 1370 O THR A 285 41. .308 94. .367 10. .456 1. .00 23. .68 8

ATOM 1371 N MET A 286 39. .409 94. .181 11. .647 1. .00 26. .74 7

ATOM 1372 CA MET A 286 38. .660 93. .671 10. .491 1. .00 28, .42 6

ATOM 1373 CB MET A 286 37. .572 92. .710 10. .995 1. .00 29, .74 6

ATOM 1374 CG MET A 286 37. .676 91. .606 11. .667 0. .00 31. .84 6

ATOM 1375 SD MET A 286 39. .229 90. .480 10. .741 1. .00 22, .31 16

ATOM 1376 CE MET A 286 38. .327 90, .866 8. .958 0. .00 46, .55 6

ATOM 1377 C MET A 286 38. .035 94. .787 9. .670 1. .00 31, .14 6

ATOM 1378 o MET A 286 36. .818 94. .814 9. .449 1. .00 33. .04 8

ATOM 1379 N GLY A 287 38. .793 95. .826 9. .325 1. .00 32, .49 7

ATOM 1380 CA GLY A 287 38. .302 96, .939 8. .529 1. .00 33, .35 6

ATOM 1381 C GLY A 287 37. .689 98. .036 9. .391 1. .00 35, .02 6

ATOM 1382 O GLY A 287 37. .297 99. .098 8. .908 1. .00 38, .18 8

ATOM 1383 N THR A 288 37, .677 97. .828 10. .693 1. .00 34, .12 7

ATOM 1384 CA THR A 288 37. .114 98. .702 11. .688 1. .00 34, .37 6

ATOM 1385 CB THR A 288 36. .454 97. .866 12. .812 1. .00 35. .69 6

ATOM 1386 OGl THR A 288 37, .567 96 . .852 13. .163 0. .00 46, .11 8

ATOM 1387 CG2 THR A 288 35, .350 96, .996 12, .229 1. .00 36, .62 6

ATOM 1388 C THR A 288 38. .170 99. .614 12. .327 1. .00 34. .51 6

ATOM 1389 O THR A 288 39, .196 99, .230 12. .565 0. .00 53, .57 8

ATOM 1390 N GLN A 289 37, .639 100, .681 12. .936 1. .00 35, .06 7

ATOM 1391 CA GLN A 289 38. .447 101. .621 13. .706 1. .00 33. .23 6

ATOM 1392 CB GLN A 289 37, .651 102, .887 14. .045 1. .00 36, .47 6

ATOM 1393 CG GLN A 289 38, .185 104, .151 13. .332 0. .00 43, .38 6

ATOM 1394 CD GLN A 289 36, .616 105, .141 13, .533 1, .00 46, .07 6

ATOM 1395 OEl GLN A 289 37, .372 105, .752 14. .293 1. .00 50, .74 8

ATOM 1396 NE2 GLN A 289 35, .815 104, .951 12. .931 0. .00 57, .13 7

ATOM 1397 C GLN A 289 38, .957 100, .944 14, .970 1. .00 31, .26 6

ATOM 1398 O GLN A 289 38, .215 100, .252 15, .675 1, .00 32, .53 8

ATOM 1399 N LEU A 290 40, .250 101, .086 15. .247 1. .00 30, .12 7

ATOM 1400 CA LEU A 290 40, .850 100, .481 16, .428 1, .00 28, .59 6

ATOM 1401 CB LEU A 290 42 .342 100 .809 16, .536 1, .00 27, .20 6

ATOM 1402 CG LEU A 290 43, .141 99, .952 17, .513 1. .00 26, .75 6

ATOM 1403 CDI LEU A 290 43, .523 98, .604 16, .915 1, .00 30, .53 6

ATOM 1404 CD2 LEU A 290 44 .404 100, .692 17, .953 1, .00 31, .90 6

ATOM 1405 C LEU A 290 40 .117 100, .956 17, .683 1, .00 30, .00 6

ATOM 1406 O LEU A 290 39, .896 102, .153 17. .899 1. .00 29, .59 8

ATOM 1407 N SER A 291 39 .670 99, .996 18, .484 1, .00 30, .90 7

ATOM 1408 CA SER A 291 38 .839 100, .297 19, .641 1, .00 31, .08 6

ATOM 1409 CB SER A 291 37, .814 99, .157 19. .824 1. .00 33, .57 6

ATOM 1410 OG SER A 291 38, .462 98, .068 20, .458 1. .00 31, .87 8

ATOM 1411 C SER A 291 39 .585 100, .478 20, .947 1, .00 31, .03 6

ATOM 1412 O SER A 291 40 .706 100, .028 21. .190 1, .00 31, .20 8

ATOM 1413 N ASP A 292 38, .895 101. .119 21. .895 1. .00 31, .05 7

ATOM 1414 CA ASP A 292 39, .424 101, .377 23, .228 1. .00 31, .02 6 ATOM 1415 CB ASP A 292 38..376 102..108 24..074 1..00 38..14 6

ATOM 1416 CG ASP A 292 38. .467 103. .614 23. .917 1. .00 43. .25 6

ATOM 1417 OD1 ASP A 292 39. .604 104. .126 23.. .840 1. .00 46, .52 8

ATOM 1418 OD2 ASP A 292 37. .412 104. .279 23. .874 1. .00 48. .12 8

ATOM 1419 C ASP A 292 39. .871 100. .103 23. .930 1. .00 31. .61 6

ATOM 1420 O ASP A 292 40, .947 100, .049 24, .528 1. .00 31, .10 8

ATOM 1421 N GLU A 293 39, .060 99, .047 23, .862 1. .00 29, .91 7

ATOM 1422 CA GLU A 293 39, .418 97. .751 24, .425 1. .00 30, .18 6

ATOM 1423 CB GLU A 293 38, .270 96. .754 24, .270 1. .00 34, .22 6

ATOM 1424 CG GLU A 293 37, .341 97. .169 25, .686 0. .00 63, .21 6

ATOM 1425 CD GLU A 293 37, .990 97. .145 27. .074 0. .00 71, .35 6

ATOM 1426 OEl GLU A 293 37, .267 96. .982 28. .079 0. .00 72, .89 8

ATOM 1427 OE2 GLU A 293 39, .227 97. .300 27. .135 0. .00 73, .86 8

ATOM 1428 C GLU A 293 40, .691 97. .209 23. .771 1. .00 29, .98 6

ATOM 1429 O GLU A 293 41, .586 96. .741 24. .478 1. .00 30, .74 8

ATOM 1430 N HIS A 294 40, .772 97. .289 22. .452 1. .00 29. .98 7

ATOM 1431 CA HIS A 294 41, .925 96, .878 21, .672 1. .00 30, .64 6

ATOM 1432 CB HIS A 294 41, .820 97, .244 20, .194 1. .00 31, .29 6

ATOM 1433 CG HIS A 294 40, .977 96, .404 19, .305 1. .00 33, .68 6

ATOM 1434 NDl HIS A 294 40, .263 96, .920 18, .241 1. .00 32, .89 7

ATOM 1435 CEl HIS A 294 39, .624 95, .939 17, .627 1. .00 33, .52 6

ATOM 1436 NE2 HIS A 294 39, .895 94. .817 18, .265' 1. .00 32, .21 7

ATOM 1437 CD2 HIS A 294 40, .738 95. .069 19. .316 1. .00 35. .33 6

ATOM 1438 C HIS A 294 43. .169 97. .624 22. .170 1. .00 33. .32 6

ATOM 1439 O HIS A 294 44, .167 97. .036 22. .565 1. .00 34. .36 8

ATOM 1440 N ILE A 295 43. .015 98. .949 22. .229 1. .00 34. .58 7

ATOM 1441 CA ILE A 295 44, .089 99 . .818 22, .712 1. .00 37, .38 6

ATOM 1442 CB ILE A 295 43, .691 101, .301 22, .607 1. .00 36, .98 6

ATOM 1443 CGI ILE A 295 43, .541 101, .700 21, .138 1. .00 37, .50 6

ATOM 1444 CDI ILE A 295 43, .217 103, .152 20, .874 1. .00 36, .88 6

ATOM 1445 CG2 ILE A 295 44, .714 102, .175 23, .318 1. .00 40. .98 6

ATOM 1446 C ILE A 295 44, .488 99, .394 24, .114 1. .00 37. .93 6

ATOM 1447 O ILE A 295 45, .670 99, .236 24, .419 1. .00 39. .19 8

ATOM 1448 N THR A 296 43, .525 99, .054 24, .970 1. .00 39. .19 7

ATOM 1449 CA THR A 296 43, .785 98. .536 26, .295 1. .00 38. .38 6

ATOM 1450 CB THR A 296 42, .401 98. .259 26, .942 0. .00 52. .28 6

ATOM 1451 OGl THR A 296 42, .430 98, .832 28, .255 0. .00 53. .92 8

ATOM 1452 CG2 THR A 296 42, .106 98, .639 28, .139 1. .00 35, .53 6

ATOM 1453 C THR A 296 44, .608 97, .260 26, .309 1. .00 38, .37 6

ATOM 1454 O THR A 296 45, .553 97, .147 27, .096 1. .00 40. .21 8

ATOM 1455 N PHE A 297 44, .297 96, .295 25, .453 1. .00 36, .85 7

ATOM 1456 CA PHE A 297 45, .033 95, .054 25, .329 1. .00 35. .99 6

ATOM 1457 CB PHE A 297 44, .372 94, .146 24, .287 1. .00 37. .65 6

ATOM 1458 CG PHE A 297 45, .139 92, .919 23, .912 1. .00 39. .95 6

ATOM 1459 CDI PHE A 297 45, .503 91, .981 24, .196 0. .00 63. .40 6

ATOM 1460 CEl PHE A 297 46, .334 91. .052 23, .599 0. .00 65. .34 6

ATOM 1461 CZ PHE A 297 46, .890 91. .316 22. .365 0. .00 66. .16 6

ATOM 1462 CE2 PHE A 297 46. .614 92. .507 21. .732 0. .00 62. .48 6

ATOM 1463 CD2 PHE A 297 45, .961 92, .834 22, .801 1. .00 36, .00 6

ATOM 1464 C PHE A 297 46, .479 95, .278 24, .877 1. .00 34. .07 6

ATOM 1465 O PHE A 297 47, .421 94, .662 25, .367 1. .00 35. .38 8

ATOM 1466 N ILE A 298 46, .605 96, .050 23, .809 1. .00 32. .00 7

ATOM 1467 CA ILE A 298 47, .873 96, .385 23, .189 1. .00 30. .11 6

ATOM 1468 CB ILE A 298 47, .638 97, .344 22. .001 1. .00 26. .45 6

ATOM 1469 CGI ILE A 298 46. .832 96. .617 20. .923 1. .00 25. .55 6

ATOM 1470 CDI ILE A 298 46. .532 97. .357 19. .652 1. .00 24. .64 6

ATOM 1471 CG2 ILE A 298 48. .969 97. .857 21. .476 1. .00 26. .12 6 ATOM 1472 C ILE A 298 48..861 96..982 24,.179 1..00 29,.12 6

ATOM 1473 O ILE A 298 49. .986 96. .496 24, .295 1. .00 27, .50 8

ATOM 1474 N ARG A 299 48. .431 97. .954 24, .977 1. .00 30, .80 7

ATOM 1475 CA ARG A 299 49. .276 98, .581 25, .982 1. .00 32, .93 6

ATOM 1476 CB ARG A 299 48, .511 99, .675 26 .736 1. .00 34, .82 6

ATOM 1477 CG ARG A 299 48. .309 100, .871 26, .198 0. .00 58, .82 6

ATOM 1478 CD ARG A 299 47. .776 101, .936 27, .132 0. .00 63, .94 6

ATOM 1479 NE ARG A 299 46, .457 102, .422 26 .733 0. .00 69, .81 7

ATOM 1480 CZ ARG A 299 45. .676 103, .150 27, .532 0. .00 61, .69 6

ATOM 1481 NHl ARG A 299 46. .088 103, .476 28, .757 0. .00 72, .86 7

ATOM 1482 NH2 ARG A 299 44 , .483 103 .542 27 .111 0. .00 64, .81 7

ATOM 1483 C ARG A 299 49. .865 97, .586 26, .968 1. .00 34, .07 6

ATOM 1484 O ARG A 299 50, .992 97, .765 27, .433 1. .00 33, .53 8

ATOM 1485 N LYS A 300 49. .152 96. .514 27. .309 1. .00 34. .33 7

ATOM 1486 CA LYS A 300 49. .675 95, .458 28, .152 1. .00 34. .62 6

ATOM 1487 CB LYS A 300 48, .503 94, .420 28 .517 0. .00 40, .10 6

ATOM 1488 CG LYS A 300 47. .603 94, .906 29, .647 0. .00 52, .66 6

ATOM 1489 CD LYS A 300 48. .185 94, .626 31, .051 0. .00 53. .26 6

ATOM 1490 CE LYS A 300 47, .084 94, .550 32 .112 0. .00 49, .75 6

ATOM 1491 NZ LYS A 300 48. .034 95. .212 33, .188 1. .00 32. .64 7

ATOM 1492 C LYS A 300 50, .881 94, .767 27, .531 1. .00 34, .05 6

ATOM 1493 O LYS A 300 51. .812 94, .376 28 .235 1. .00 35, .96 8

ATOM 1494 N LEU A 301 50. .897 94, .595 26, .209 1. .00 29. .81 7

ATOM 1495 CA LEU A 301 52. .011 93, .933 25, .545 1. .00 28, .26 6

ATOM 1496 CB LEU A 301 51, .524 93, .382 24 .193 1. .00 27, .27 6

ATOM 1497 CG LEU A 301 50. .433 92. .312 24, .268 1. .00 31. .19 6

ATOM 1498 CDI LEU A 301 49, .968 91, .958 22, .864 1. .00 28, .68 6

ATOM 1499 CD2 LEU A 301 50, .950 91, .091 25 .018 1. .00 30, .27 6

ATOM 1500 C LEU A 301 53. .190 94. .863 25, .299 1. .00 25. .15 6

ATOM 1501 O LEU A 301 54, .352 94, .461 25, .406 1. .00 26, .40 8

ATOM 1502 N THR A 302 52. .876 96. .071 24, .819 1. .00 24. .57 7

ATOM 1503 CA THR A 302 53, .934 97. .017 24, .495 1. .00 22. .20 6

ATOM 1504 CB THR A 302 54, .496 96, .747 23, .078 1. .00 23, .55 6

ATOM 1505 OGl THR A 302 55. .524 97. .692 22, .738 1. .00 21. .24 8

ATOM 1506 CG2 THR A 302 53, .368 96. .819 22, .066 1. .00 22. .10 6

ATOM 1507 C THR A 302 53, .436 98. .459 24, .535 1. .00 19, .57 6

ATOM 1508 O THR A 302 52, .281 98. .735 24, .243 1. .00 22. .62 8

ATOM 1509 N SER A 303 54, .393 99, .362 24, .729 1. .00 20, .73 7

ATOM 1510 CA SER A 303 54, .077 100, .785 24, .687 1. .00 21, .20 6

ATOM 1511 CB SER A 303 54, .889 101. .532 25, .750 1. .00 25. .33 6

ATOM 1512 OG SER A 303 54, .325 101, .288 27, .036 1. .00 26. .10 8

ATOM 1513 C SER A 303 54, .367 101, .375 23, .308 1. .00 20, .14 6

ATOM 1514 O SER A 303 54. .165 102. .581 23, .159 1. .00 22. .26 8

ATOM 1515 N ASN A 304 54. .954 100, .601 22, .406 1. .00 18, .93 7

ATOM 1516 CA ASN A 304 55. .345 101. .109 21, .096 1. .00 16. .51 6

ATOM 1517 CB ASN A 304 56. .823 100. .782 20, .827 1. .00 17. .46 6

ATOM 1518 CG ASN A 304 57. .726 101, .361 21, .912 1. .00 19, .14 6

ATOM 1519 OD1 ASN A 304 57. .658 102. .575 22, .162 1. .00 22. .27 8

ATOM 1520 ND2 ASN A 304 58. .521 100. .534 22, .555 1. .00 23. .22 7

ATOM 1521 C ASN A 304 54. .442 100. .559 19, .999 1. .00 17, .17 6

ATOM 1522 O ASN A 304 54. .334 99. .349 19. .783 1. .00 19. .11 8

ATOM 1523 N ILE A 305 53. .850 101. .450 19, .213 1. .00 16. .50 7

ATOM 1524 CA ILE A 305 52. .975 101, .057 18, .122 1. .00 15. .34 6

ATOM 1525 CB ILE A 305 51. .481 101. .160 18. .472 1. .00 16. .82 6

ATOM 1526 CGI ILE A 305 50. .586 100. .768 17. .286 1. .00 19. .54 6

ATOM 1527 CDI ILE A 305 49. .197 100. .327 17, .724 1. .00 22. .50 6

ATOM 1528 CG2 ILE A 305 51. .113 102. .554 18. .978 1. ,00 21. .43 6 ATOM 1529 C ILE A 305 53..240 101..905 16..875 1..00 14..98 6

ATOM 1530 O ILE A 305 53. .343 103. .120 16. .957 1. .00 16. .01 8

ATOM 1531 N THR A 306 53. .461 101. .177 15, .793 1. .00 15. .36 7

ATOM 1532 CA THR A 306 53. .728 101. .824 14, .506 1. .00 15. .08 6

ATOM 1533 CB THR A 306 55. .024 101. .252 13, .905 1. .00 17. .41 6

ATOM 1534 OGl THR A 306 56. .109 101. .634 14, .771 1. .00 19. .58 8

ATOM 1535 CG2 THR A 306 55. .277 101. .744 12, .491 1. .00 19. .53 6

ATOM 1536 C THR A 306 52. .551 101. .615 13, .564 1. .00 17. .25 6

ATOM 1537 O THR A 306 52. .078 100. .479 13, .439 1. .00 15. .75 8

ATOM 1538 N LEU A 307 52. .098 102. .694 12. .934 1. .00 14. .80 7

ATOM 1539 CA LEU A 307 51. .005 102. .618 11. .974 1. .00 16. .27 6

ATOM 1540 CB LEU A 307 50, .094 103. .837 12, .116 1. .00 15. .08 6

ATOM 1541 CG LEU A 307 49. .587 104. .128 13, .530 1. .00 17. .56 6

ATOM 1542 CDI LEU A 307 48. .662 105. .338 13, .561 1. .00 17. .11 6

ATOM 1543 CD2 LEU A 307 48. .874 102. .917 14, .112 1. .00 18. .80 6

ATOM 1544 C LEU A 307 51. .563 102. .564 10, .557 1. .00 18. .09 6

ATOM 1545 O LEU A 307 52. .350 103. .445 10. .204 1. .00 18. .53 8

ATOM 1546 N MET A 308 51. .236 101. .505 9. .818 1. .00 16. .52 7

ATOM 1547 CA MET A 308 51. .665 101. .437 8. .426 1. .00 13. .84 6

ATOM 1548 CB MET A 308 52. .797 100. .446 8, .177 1. .00 15. .22 6

ATOM 1549 CG MET A 308 52. .688 101. .236 6, .591 0. .00 20, .05 6

ATOM 1550 SD MET A 308 54, .829 99. .407 6, .432 1. .00 11. .91 16

ATOM 1551 CE MET A 308 54. .040 97. .829 7, .790 0. .00 32. .32 6

ATOM 1552 C MET A 308 50. .428 101. .143 7. .569 1. .00 17. .80 6

ATOM 1553 O MET A 308 50. .074 99. .976 7, .347 1. .00 18. .69 8

ATOM 1554 N PHE A 309 49. .646 102. .185 7, .318 1. .00 17. .91 7

ATOM 1555 CA PHE A 309 48. .423 102. .034 6. .516 1. .00 19. .76 6

ATOM 1556 CB PHE A 309 47, .325 102, .931 7, .046 1, .00 18, .18 6

ATOM 1557 CG PHE A 309 46, .816 102, .669 8, .433 1. .00 19. .80 6

ATOM 1558 CDI PHE A 309 46, .998 101. .428 9, .054 1. .00 20. .86 6

ATOM 1559 CEl PHE A 309 46. .499 101. .207 10, .321 1. .00 21. .64 6

ATOM 1560 CZ PHE A 309 45. .823 102. .201 10, .993 1. .00 24. .61 6

ATOM 1561 CE2 PHE A 309 45. .624 103. .426 10, .387 1. .00 25. .42 6

ATOM 1562 CD2 PHE A 309 46. .123 103. .648 9, .115 1. .00 24. .60 6

ATOM 1563 C PHE A 309 48. .765 102. .275 5, .052 1. .00 21. .40 6

ATOM 1564 O PHE A 309 49. .940 102. .317 4. .674 1. .00 20. .42 8

ATOM 1565 N ASP A 310 47, .762 102, .230 4, .172 1. .00 22. .48 7

ATOM 1566 CA ASP A 310 48, .070 102, .384 2, .751 1. .00 21. .05 6

ATOM 1567 CB ASP A 310 46, .798 102, .254 1, .916 1. .00 23. .90 6

ATOM 1568 CG ASP A 310 46. .343 100, .805 1, .798 1. .00 29. .72 6

ATOM 1569 ODl ASP A 310 46. .984 99. .935 2, .413 1. .00 27. .63 8

ATOM 1570 OD2 ASP A 310 45. .354 100. .599 1. .064 1. .00 33. .23 8

ATOM 1571 C ASP A 310 48. . 699 103. .755 2. .505 1. .00 19. .55 6

ATOM 1572 O ASP A 310 48. .292 104. .709 3. .176 1. .00 21. .37 8

ATOM 1573 N GLY A 311 49, .417 103, .877 1, .397 1. .00 21. .12 7

ATOM 1574 CA GLY A 311 49, .969 105, .151 0, .960 1. .00 23. .24 6

ATOM 1575 C GLY A 311 48, .998 106, .040 0, .200 1. .00 24. .82 6

ATOM 1576 O GLY A 311 49. .376 106, .570 -0, .861 1. .00 26. .07 8

ATOM 1577 N ASP A 312 47, .791 106, .255 0. .699 1. .00 24. .24 7

ATOM 1578 CA ASP A 312 46. .816 107. .105 0. .019 1. .00 27. .47 6

ATOM 1579 CB ASP A 312 45. .770 106. .239 -0. .689 1. .00 28. .84 6

ATOM 1580 CG ASP A 312 45. .242 105. .119 0. .184 1. .00 32. .12 6

ATOM 1581 ODl ASP A 312 44. .868 105. .377 1. .347 1. .00 28. .74 8

ATOM 1582 OD2 ASP A 312 43, .878 104, .899 -0, .295 0. .00 40. .64 8

ATOM 1583 C ASP A 312 46, .165 108. .067 0. .999 1. .00 29. .03 6

ATOM 1584 O ASP A 312 46. .478 108. .055 2. .197 1. .00 28. .60 8

ATOM 1585 N PHE A 313 45. .254 108. .908 0. .509 1. .00 29. .50 7 ATOM 1586 CA PHE A 313 44..566 109..876 1,.350 1..00 30..10 6

ATOM 1587 CB PHE A 313 43. .580 110. .729 0, .539 1. .00 34. .72 6

ATOM 1588 CG PHE A 313 42. .928 111. .830 1, .334 1. .00 34. .10 6

ATOM 1589 CDI PHE A 313 43. .663 112. .997 1. .789 0. .00 34. .86 6

ATOM 1590 CEl PHE A 313 43. .067 113, .941 2, .480 1. .00 34. .32 6

ATOM 1591 CZ PHE A 313 41. .726 113. .867 2, .802 1. .00 34. .52 6

ATOM 1592 CE2 PHE A 313 40. .983 112. .774 2, .391 1. .00 32. .30 6

ATOM 1593 CD2 PHE A 313 41. .588 111. .770 1, .665 1. .00 33. .35 6

ATOM 1594 C PHE A 313 43. .809 109, .209 2, .487 1. .00 30, .00 6

ATOM 1595 O PHE A 313 43. .921 109, .651 3, .632 1. .00 30, .12 8

ATOM 1596 N ALA A 314 43. .030 108. .170 2, .190 1. .00 29, .79 7

ATOM 1597 CA ALA A 314 42. .310 107. .453 3, .239 1. .00 30, .10 6

ATOM 1598 CB ALA A 314 41. .438 106. .350 2. .664 1. .00 33. .16 6

ATOM 1599 C ALA A 314 43. .274 106, .871 4, .272 1. .00 25, .63 6

ATOM 1600 O ALA A 314 42. .985 106. .914 5, .471 1. .00 28, .32 8

ATOM 1601 N GLY A 315 44. .405 106. .319 3, .850 1. .00 24, .82 7

ATOM 1602 CA GLY A 315 45. .377 105. .747 4. .790 1. .00 23. .95 6

ATOM 1603 C GLY A 315 45, .933 106, .837 5, .706 1. .00 23, .29 6

ATOM 1604 O GLY A 315 46, .025 106, .700 6, .927 1. .00 20, .71 8

ATOM 1605 N SER A 316 46. .264 107. .976 5, .095 1. .00 23. .72 7

ATOM 1606 CA SER A 316 46. .740 109. .129 5, .854 1. .00 23. .15 6

ATOM 1607 CB SER A 316 47, .127 110, .269 4, .900 1. .00 27, .50 6

ATOM 1608 OG SER A 316 47, .577 111, .361 5, .689 1. .00 28, .56 8

ATOM 1609 C SER A 316 45. .709 109. .620 6, .852 1. .00 21, .12 6

ATOM 1610 O SER A 316 45. .992 109. .858 8, .032 1. .00 20. .77 8

ATOM 1611 N GLU A 317 44, .438 109, .756 6, .451 1. .00 21, .91 7

ATOM 1612 CA GLU A 317 43, .380 110, .198 7, .338 1. .00 23, .09 6

ATOM 1613 CB GLU A 317 42. .067 110. .401 6, .572 1. .00 25, .92 6

ATOM 1614 CG GLU A 317 42. .105 111. .493 5, .523 1. .00 29. .48 6

ATOM 1615 CD GLU A 317 42, .313 112, .876 6, .104 1. .00 34, .05 6

ATOM 1616 OEl GLU A 317 41. .315 113, .463 6, .572 1. .00 41, .35 8

ATOM 1617 OE2 GLU A 317 43. .458 113. .366 6, .100 1. .00 39, .30 8

ATOM 1618 C GLU A 317 43. .156 109. .222 8, .493 1. .00 20. .91 6

ATOM 1619 O GLU A 317 43. .044 109. .653 9, .644 1. .00 22. .54 8

ATOM 1620 N ALA A 318 43. .258 107, .926 8, .206 1. .00 21, .17 7

ATOM 1621 CA ALA A 318 43, .130 106. .880 9, .212 1. .00 20. .48 6

ATOM 1622 CB ALA A 318 43. .052 105. .531 8, .511 1. .00 24. .77 6

ATOM 1623 C ALA A 318 44. .329 106. .891 10, .161 1. .00 20. .43 6

ATOM 1624 O ALA A 318 44, .216 106, .663 11 .364 1. .00 21, .82 8

ATOM 1625 N THR A 319 45, .497 107. .189 9 .599 1. .00 20, .84 7

ATOM 1626 CA THR A 319 46. .696 107. .265 10, .443 1. .00 18. .44 6

ATOM 1627 CB THR A 319 47. .938 107. .502 9, .582 1. .00 17. .03 6

ATOM 1628 OGl THR A 319 48, .114 106. .420 8 .663 1, .00 18, .41 8

ATOM 1629 CG2 THR A 319 49, .169 107. .639 10 .466 1, .00 17, .61 6

ATOM 1630 C THR A 319 46, .545 108. .378 11, .476 1. .00 18, .56 6

ATOM 1631 O THR A 319 46. .914 108. .234 12, .652 1. .00 18. .56 8

ATOM 1632 N LEU A 320 46, .137 109, .564 11 .001 1, .00 18, .61 7

ATOM 1633 CA LEU A 320 45, .923 110, .700 11, .882 1. .00 21, .24 6

ATOM 1634 CB LEU A 320 45. .522 111. .947 11, .074 1. .00 20. .44 6

ATOM 1635 CG LEU A 320 46. .597 112. .438 10, .096 1. .00 21, .24 6

ATOM 1636 CDI LEU A 320 46. .040 113. .456 9, .117 1. .00 25. .86 6

ATOM 1637 CD2 LEU A 320 47, .757 113. .057 10 .879 1. .00 19, .77 6

ATOM 1638 C LEU A 320 44. .903 110. .407 12, .963 1. .00 20. .26 6

ATOM 1639 O LEU A 320 45. .171 110. .612 14, .147 1. .00 21. .20 8

ATOM 1640 N LYS A 321 43. .743 109. .841 12, .595 1. .00 19. .96 7

ATOM 1641- CA LYS A 321 42. .705 109. .566 13, .568 1. .00 21. .95 6

ATOM 1642 CB LYS A 321 41. .424 109. .126 12, .832 1. .00 23. .28 6 ATOM 1643 CG LYS A 321 40..220 109..098 13..746 1..00 25..17 6

ATOM 1644 CD LYS A 321 38. .972 108. .642 12. .990 1. .00 32. .68 6

ATOM 1645 CE LYS A 321 37. .801 108. .483 13. .949 1. .00 36. .15 6

ATOM 1646 NZ LYS A 321 38. .094 107. .521 15. .047 1. .00 42. .14 7

ATOM 1647 C LYS A 321 43. .093 108. .511 14. .597 1. .00 20. .15 6

ATOM 1648 O LYS A 321 42. .913 108. .691 15. .794 1. .00 22. .55 8

ATOM 1649 N THR A 322 43. .652 107. .404 14. .109 1. .00 20. .48 7

ATOM 1650 CA THR A 322 44. .051 106. .296 14. .973 1. .00 19. .38 6

ATOM 1651 CB THR A 322 44. .430 105. .046 14. .161 1. .00 20. .72 6

ATOM 1652 OGl THR A 322 43. .308 104. .685 13. .323 1. .00 24. .85 8

ATOM 1653 CG2 THR A 322 44. .792 103. .897 15. .086 1. .00 21. .13 6

ATOM 1654 C THR A 322 45. .232 106. .715 15. .851 1. .00 18. .93 6

ATOM 1655 O THR A 322 45. .240 106. .478 17. .062 1. .00 19. .82 8

ATOM 1656 N GLY A 323 46. .196 107. .387 15. .225 1. .00 17. .05 7

ATOM 1657 CA GLY A 323 47. .335 107. .906 15. .998 1. .00 17. .48 6

ATOM 1658 C GLY A 323 46. .963 108. .891 17. .083 1. .00 17. .23 6

ATOM 1659 O GLY A 323 47. .590 108. .781 18. .165 1. .00 16. .54 8

ATOM 1660 N LEU A 324 46. .046 109. .850 16. .887 1. .00 19. .70 7

ATOM 1661 CA LEU A 324 45. .746 110. .811 17. .956 1. .00 22. .73 6

ATOM 1662 CB LEU A 324 44. .956 112. .070 17. .640 1. .00 25. .57 6

ATOM 1663 CG LEU A 324 45. .361 113. .506 17. .993 1. .00 25. .45 6

ATOM 1664 CDI LEU A 324 46, .086 113, .909 19, .265 1. .00 19, .20 6

ATOM 1665 CD2 LEU A 324 46, .257 114, .053 16, .877 1. .00 17, .23 6

ATOM 1666 C LEU A 324 45, .062 110, .054 19, .104 1. .00 22, .58 6

ATOM 1667 O LEU A 324 45, .442 110, .259 20, .251 1. .00 22, .44 8

ATOM 1668 N HIS A 325 44, .285 109, .005 18, .781 1. .00 21, .31 7

ATOM 1669 CA HIS A 325 43, .687 108, .183 19, .826 1. .00 22, .40 6

ATOM 1670 CB HIS A 325 42, .664 107, .255 19, .164 1. .00 23, .77 6

ATOM 1671 CG HIS A 325 41, .830 106, .480 20, .139 1. .00 31, .44 6

ATOM 1672 NDl HIS A 325 40, .979 105, .484 19. .700 1. .00 33, .61 7

ATOM 1673 CEl HIS A 325 40, .361 104, .957 20. .744 1. .00 36, .55 6

ATOM 1674 NE2 HIS A 325 40, .792 105, .558 21. .834 1-. .00 33, .93 7

ATOM 1675 CD2 HIS A 325 41, .715 106, .513 21. .489 1. .00 32. .17 6

ATOM 1676 C HIS A 325 44, .708 107, .417 20. .647 1. .00 19, .83 6

ATOM 1677 O HIS A 325 44, .654 107, .420 21. .870 1. .00 22, .30 8

ATOM 1678 N LEU A 326 45, .679 106, .774 20. .008 1. .00 18. .23 7

ATOM 1679 CA LEU A 326 46, .727 106, .032 20. .681 1. .00 18, .43 6

ATOM 1680 CB LEU A 326 47 .601 105, .293 19. .654 1. .00 17, .12 6

ATOM 1681 CG LEU A 326 46, .881 104, .106 18. .977 1. .00 16. .68 6

ATOM 1682 CDI LEU A 326 47, .533 103, .800 17. .651 1. .00 15. .34 6

ATOM 1683 CD2 LEU A 326 46, .896 102, .904 19. .924 1. .00 19, .38 6

ATOM 1684 C LEU A 326 47, .618 106. .946 21. .509 1. .00 17. .89 6

ATOM 1685 O LEU A 326 47 .950 106 .648 22, .647 1. .00 19, .24 8

ATOM 1686 N LEU A 327 47 .927 108, .127 20, .955 1. .00 18, .67 7

ATOM 1687 CA LEU A 327 48 .708 109, .116 21, .696 1. .00 16, .39 6

ATOM 1688 CB LEU A 327 49 .046 110, .275 20, .755 1. .00 17, .15 6

ATOM 1689 CG LEU A 327 49 .916 111 .390 21, .357 1. .00 19, .34 6

ATOM 1690 CDI LEU A 327 51 .280 110, .864 21, .743 1, .00 23, .46 6

ATOM 1691 CD2 LEU A 327 49 .988 112, .521 20, .343 1. .00 17, .26 6

ATOM 1692 C LEU A 327 47 .968 109. .593 22, .941 1. .00 16, .07 6

ATOM 1693 O LEU A 327 48 .530 109, .711 24, .038 1. .00 18, .76 8

ATOM 1694 N GLN A 328 46 .682 109, .887 22, .803 1. .00 20, .28 7

ATOM 1695 CA GLN A 328 45 .824 110, .303 23. .908 1. .00 21, .07 6

ATOM 1696 CB GLN A 328 44 .415 110, .598 23. .374 1. .00 26. .92 6

ATOM 1697 CG GLN A 328 44, .036 111, .560 22. .454 0. .00 40. .03 6

ATOM 1698 CD GLN A 328 42, .636 111. .450 21. .785 1. .00 39. .08 6

ATOM 1699 OEl GLN A 328 42, .292 112, .371 21. .036 1. .00 43. .25 8 ATOM 1700 NE2 GLN A 328 41..928 110..332 21..920 1..00 41..97 7

ATOM 1701 C GLN A 328 45. .758 109. .248 24. .999 1. .00 22. .68 6

ATOM 1702 O GLN A 328 45. .807 109. .532 26. .202 1. .00 25. .39 8

ATOM 1703 N GLN A 329 45. .863 107. .973 24. .618 1. .00 23. .49 7

ATOM 1704 CA GLN A 329 45. .884 106. .850 25. .539 1. .00 26, .09 6

ATOM 1705 CB GLN A 329 45. .188 105. .633 24. .905 1. .00 28, .10 6

ATOM 1706 CG GLN A 329 43. .691 105. .844 24. .723 1. .00 32, .58 6

ATOM 1707 CD GLN A 329 42. .990 106. .195 26. .025 1. .00 34, .99 6

ATOM 1708 OEl GLN A 329 42. .372 107. .250 26. .130 1. .00 37. .56 8

ATOM 1709 NE2 GLN A 329 43. .093 105. .317 27. .017 1. .00 37, .44 7

ATOM 1710 C GLN A 329 47. .249 106. .506 26. .091 1. .00 27. .69 6

ATOM 1711 O GLN A 329 47, .408 105, .546 26, .862 1, .00 30, .96 8

ATOM 1712 N GLY A 330 48, .288 107, .262 25, .751 1, .00 26, .27 7

ATOM 1713 CA GLY A 330 49, .604 107, .129 26, .317 1, .00 24, .75 6

ATOM 1714 C GLY A 330 50, .602 106, .222 25, .640 1. .00 23, .80 6

ATOM 1715 O GLY A 330 51, .644 105, .904 26, .234 1, .00 25, .59 8

ATOM 1716 N LEU A 331 50, .326 105, .778 24, .414 1, .00 23, .03 7

ATOM 1717 CA LEU A 331 51, .281 104, .945 23, .699 1, .00 21, .28 6

ATOM 1718 CB LEU A 331 50, .544 104, .035 22, .709 1. .00 26, .53 6

ATOM 1719 CG LEU A 331 49, .538 103, .042 23, .321 1. .00 27, .32 6

ATOM 1720 GDI LEU A 331 48, .139 103, .257 22, .716 0, .00 34, .52 6

ATOM 1721 CD2 LEU A 331 49, .863 101, .645 22, .804 1, .00 29, .09 6

ATOM 1722 C LEU A 331 52, .297 105, .814 22, .949 1. .00 19, .59 6

ATOM 1723 O LEU A 331 52, .024 107, .003 22, .709 1. .00 20, .36 8

ATOM 1724 N ASN A 332 53, .471 105. .272 22, .692 1. .00 17, .79 7

ATOM 1725 CA ASN A 332 54, .497 105, .859 21, .855 1. .00 18, .56 6

ATOM 1726 CB ASN A 332 55, .892 105, .253 22, .067 1. .00 20, .78 6

ATOM 1727 CG ASN A 332 56, .415 105, .509 23, .463 1. .00 24, .48 6

ATOM 1728 ODl ASN A 332 57, .023 104, .669 24, .127 1. .00 28, .07 8

ATOM 1729 ND2 ASN A 332 56, .157 106, .727 23, .918 1. .00 23, .49 7

ATOM 1730 C ASN A 332 54, .082 105, .522 20. .419 1. .00 18. .88 6

ATOM 1731 O ASN A 332 54, .130 104. .329 20, .108 1. .00 18. .11 8

ATOM 1732 N VAL A 333 53, .598 106. .475 19. .640 1. .00 16. .60 7

ATOM 1733 CA VAL A 333 53. .094 106. .188 18. .301 1. .00 15. .46 6

ATOM 1734 CB VAL A 333 51, .791 106. .995 18. .091 1. .00 14. .19 6

ATOM 1735 CGI VAL A 333 51. .153 106. .648 16. .752 1. .00 16. .77 6

ATOM 1736 CG2 VAL A 333 50, .848 106. .793 19. .268 1. .00 17. .54 6

ATOM 1737 C VAL A 333 54, .050 106. .554 17. .179 1. .00 15. .99 6

ATOM 1738 O VAL A 333 54. .651 107. .626 17. .200 1. .00 15. .29 8

ATOM 1739 N PHE A 334 54. .333 105. .622 16. .273 1. .00 14. .50 7

ATOM 1740 CA PHE A 334 55. .193 105. .895 15. .128 1. .00 12. .87 6

ATOM 1741 CB PHE A 334 56. .464 105. .013 15. .088 1. .00 13. .97 6

ATOM 1742 CG PHE A 334 57. .212 105. .128 16. .393 1. .00 14. .51 6

ATOM 1743 CDI PHE A 334 58. .233 106. .055 16. .542 1. .00 15. .02 6

ATOM 1744 CEl PHE A 334 58. .877 106. .174 17. .762 1. .00 16. .31 6

ATOM 1745 CZ PHE A 334 58. .509 105. .381 18. .826 1. .00 17. .06 6

ATOM 1746 CE2 PHE A 334 57. .489 104. .463 18. .687 1. .00 17. .02 6

ATOM 1747 CD2 PHE A 334 56. .837 104. .332 17. .470 1. .00 14. .66 6

ATOM 1748 C PHE A 334 54. .445 105. .677 13. .826 1. .00 14. .09 6

ATOM 1749 O PHE A 334 53. .395 105. .042 13. .822 1. .00 15. .36 8

ATOM 1750 N VAL A 335 54. .942 106. .219 12. .721 1. .00 13. .87 7

ATOM 1751 CA VAL A 335 54. .297 106. .061 11. .416 1. .00 14. .22 6

ATOM 1752 CB VAL A 335 53. .608 107. .370 10. .968 1. .00 12. .90 6

ATOM 1753 CGI VAL A 335 52. .980 107. .246 9, .578 1. .00 14. .46 6

ATOM 1754 CG2 VAL A 335 52. .577 107. .850 11. .981 1. .00 13. .50 6

ATOM 1755 C VAL A 335 55. .334 105. .688 10. .363 1. .00 14. .75 6

ATOM 1756 O VAL A 335 56. .433 106. .266 10. .312 1. .00 16. .55 8 ATOM 1757 N ILE A 336 55.031 104.687 9.542 1,.00 16.35 7

ATOM 1758 CA ILE A 336 55 .797 104 .335 8 .361 1, .00 16 .85 6

ATOM 1759 CB ILE A 336 56 .192 102 .845 8 .275 1, .00 16 .60 6

ATOM 1760 CGI ILE A 336 57 .242 102 .554 9 .345 1, .00 19 .67 6

ATOM 1761 CDI ILE A 336 58 .595 103 .198 9 .111 1, .00 27 .49 6

ATOM 1762 CG2 ILE A 336 56 .772 102 .526 6 .900 1, .00 21 .10 6

ATOM 1763 C ILE A 336 54 .938 104 .689 7 .140 1, .00 18 .67 6

ATOM 1764 0 ILE A 336 53 .797 104 .250 7, .090 1, .00 18 .80 8

ATOM 1765 N GLN A 337 55 .493 105 .541 6, .282 1. .00 17 .72 7

ATOM 1766 CA GLN A 337 54 .733 105 .995 5, .113 1. .00 19 .67 6

ATOM 1767 CB GLN A 337 54 .884 107 .513 5, .015 1. .00 23, .30 6

ATOM 1768 CG GLN A 337 54 .188 108 .170 3, .837 1. .00 32, .00 6

ATOM 1769 CD GLN A 337 54 .098 109 .680 3, .945 1. .00 36, .90 6

ATOM 1770 OEl GLN A 337 54 .569 110. .341 4, .875 1, .00 36, .07 8

ATOM 1771 NE2 GLN A 337 53 .450 110 .271 2, .937 1, .00 41, .32 7

ATOM 1772 C GLN A 337 55 .191 105, .278 3, .858 1. .00 18, .11 6

ATOM 1773 O GLN A 337 56 .320 105, .380 3, .380 1. .00 20, .05 8

ATOM 1774 N LEU A 338 54, .303 104, .404 3, .349 1. .00 19, .90 7

ATOM 1775 CA LEU A 338 54, .622 103, .655 2, .129 1, .00 21, .34 6

ATOM 1776 CB LEU A 338 53, .652 102, .492 1, .909 1, .00 24. .31 6

ATOM 1777 CG LEU A 338 53, .777 101. .312 2, .878 1. .00 20. .73 6

ATOM 1778 CDI LEU A 338 52 .477 100 .519 2 .982 1. .00 22, .83 6

ATOM 1779 CD2 LEU A 338 54 .932 100 .408 2, .471 1. .00 26, .14 6

ATOM 1780 C LEU A 338 54 .538 104 .609 0, .937 1. .00 23, .07 6

ATOM 1781 O LEU A 338 53 .864 105 .626 1, .026 1. .00 23, .75 8

ATOM 1782 N PRO A 339 55 .191 104, .232 -0, .147 1. .00 25, .16 7

ATOM 1783 CA PRO A 339 55 .133 105, .013 -1, .379 1. .00 25. .81 6

ATOM 1784 CB PRO A 339 55 .938 104, .198 -2, .376 1, .00 24. .30 6

ATOM 1785 CG PRO A 339 56 .830 103, .331 -1, .555 1, .00 25. .98 6

ATOM 1786 CD PRO A 339 56, .036 103, .033 -0, .301 1. .00 23. .00 6

ATOM 1787 C PRO A 339 53, .696 105, .185 -1, .842 1, .00 26. .33 6

ATOM 1788 O PRO A 339 52, .795 104, .384 -1, .580 1. .00 26. .29 8

ATOM 1789 N SER A 340 53, .473 106, .259 -2, .598 1. .00 24. .90 7

ATOM 1790 CA SER A 340 52, .171 106, .634 -3, .107 1. .00 26. .24 6

ATOM 1791 CB SER A 340 52, .351 107. .657 -4. .250 1. .00 29. .29 6

ATOM 1792 OG SER A 340 51, .130 108. .356 -4, .435 1. .00 34. .65 8

ATOM 1793 C SER A 340 51. .341 105. .478 -3, .634 1. .00 25. .30 6

ATOM 1794 O SER A 340 51, .820 104. .678 -4. .441 1. .00 25. .37 8

ATOM 1795 N GLY A 341 50, .126 105. .315 -3. .132 1. .00 26. .31 7

ATOM 1796 CA GLY A 341 49, .185 104. .312 -3. .568 1. .00 27. .23 6

ATOM 1797 C GLY A 341 49. .423 102. .872 -3. .189 1. .00 28. .07 6

ATOM 1798 O GLY A 341 48. .612 101. .998 -3. .544 1. .00 29. .89 8

ATOM 1799 N MET A 342 50, .529 102, .552 -2, .524 1. .00 25. .94 7

ATOM 1800 CA MET A 342 50, .904 101, .195 -2, .192 1. .00 24. .59 6

ATOM 1801 CB MET A 342 52, .424 101. .039 -2, .245 1. .00 21. .45 6

ATOM 1802 CG MET A 342 53, .123 101. .213 -3, .576 1. .00 21. .38 6

ATOM 1803 SD MET A 342 54, .778 100. .574 -3, .723 1. .00 16. .85 16

ATOM 1804 CE MET A 342 54, .140 98. .850 -4. .229 0. .00 54. .82 6

ATOM 1805 C MET A 342 50. .456 100. .717 -0. .810 1. .00 23. . 69 6

ATOM 1806 O MET A 342 50. .329 101. .456 0. .157 1. .00 24. .59 8

ATOM 1807 N ASP A 343 50. .297 99. .403 -0. .723 1. .00 22. .37 7

ATOM 1808 CA ASP A 343 50. .132 98. .643 0. .515 1. .00 22. .35 6

ATOM 1809 CB ASP A 343 48. .794 97. .931 0. .523 1. .00 22. .13 6

ATOM 1810 CG ASP A 343 48. .496 96. .953 -0. .594 1. ,00 22. .00 6

ATOM 1811 ODl ASP A 343 49. .384 96. .594 -1. .390 1. ,00 23. ,97 8

ATOM 1812 OD2 ASP A 343 47. .314 96. .525 -0. ,631 1. 00 28. ,48 8

ATOM 1813 C ASP A 343 51. .314 97. .700 0. ,615 1. ,00 20. ,43 6 ATOM 1814 O ASP A 343 52.127 97.577 - 0 . 301 ,00 20.33 8

ATOM 1815 N PRO A 344 51.504 96.984 1 . 729 ,00 19.87 7

ATOM 1816 CA PRO A 344 52.627 96.081 1 . 882 00 20.33 6

ATOM 1817 CB PRO A 344 52.471 95.528 3 . 304 .00 21.93 6

ATOM 1818 CG PRO A 344 51.694 96.598 3 . 995 .00 20.22 6

ATOM 1819 CD PRO A 344 50.678 97.053 2 . 954 .00 21.39 6

ATOM 1820 C PRO A 344 52.689 95.000 0 . 821 .00 20.82 6

ATOM 1821 O PRO A 344 53.747 94.737 0 .245 .00 22.10 8

ATOM 1822 N ASP A 345 51.558 94.442 0 .420 .00 23.80 7

ATOM 1823 CA ASP A 345 51.489 93.430 -0 . 626 ,00 25.84 6

ATOM 1824 CB ASP A 345 50.025 93.020 - 0. 815 ,00 28.08 6

ATOM 1825 CG ASP A 345 49.850 91.959 ,884 1.00 36.26 6

ATOM 1826 ODl ASP A 345 48.781 91.964 ,529 1.00 41.25 8

ATOM 1827 OD2 ASP A 345 50.767 91.131 -2.077 , 00 37 . 03 8

ATOM 1828 C ASP A 345 52.069 93.945 -1.944 .00 25 . 09 6

ATOM 1829 O ASP A 345 52.935 93.306 548 . 00 26 . 71 8

ATOM 1830 N GLU A 346 51.684 95.163 311 . 00 25 . 55 7

ATOM 1831 CA GLU A 346 52.203 95.777 -3.532 . 00 25 . 38 6

ATOM 1832 CB GLU A 346 51.483 97.081 -3.865 .00 23 .69 6

ATOM 1833 CG GLU A 346 52.004 97.682 -5.180 1 . 00 25 .34 6

ATOM 1834 CD GLU A 346 51.164 98.888 -5.576 1. 00 22 . 15 6

ATOM 1835 OEl GLU A 346 50.169 99.181 -4.826 0 . 00 47 . 04 8

ATOM 1836 OE2 GLU A 346 51.761 99.721 -6. .318 1 . 00 30 .48 8

ATOM 1837 C GLU A 346 53.696 96.055 -3..417 . 00 25 . 03 6

ATOM 1838 O GLU A 346 54.469 95.725 -4..315 00 25, .38 8

ATOM 1839 N TYR A 347 54.128 96.638 -2..292 00 23, .40 7

ATOM 1840 CA TYR A 347 55.537 96.932 -2,.091 00 22, .03 6

ATOM 1841 CB TYR A 347 55.754 97.678 -0,.754 00 22, .85 6

ATOM 1842 CG TYR A 347 57.163 98.212 -0..615 00 23, .31 6

ATOM 1843 CDI TYR A 347 57.481 99.549 -0.825 00 26, .30 6

ATOM 1844 CEl TYR A 347 58.783 100.001 -0.692 00 25, .49 6

ATOM 1845 CZ TYR A 347 59.789 99.122 -0.359 00 25, .64 6

ATOM 1846 OH TYR A 347 61.094 99.541 -0.227 00 29, .09 8

ATOM 1847 CE2 TYR A 347 59.502 97.788 -0.142 00 23, .93 6

ATOM 1848 CD2 TYR A 347 58.204 97.359 -0.273 00 23, .93 6

ATOM 1849 C TYR A 347 56.393 95.677 -2.,172 00 23, .64 6

ATOM 1850 O TYR A 347 57.453 95.656 -2.,812 00 24, .84 8

ATOM 1851 N ILE A 348 56.012 94.629 -1..443 00 23 .39 7

ATOM 1852 CA ILE A 348 56.756 93.374 -1.397 00 24, .35 6

ATOM 1853 CB ILE A 348 56.177 92.418 -0.343 00 24, .27 6

ATOM 1854 CGI ILE A 348 56.383 92.997 1..069 00 22, .85 6

ATOM 1855 CDI ILE A 348 55.507 92.337 2..119 00 22 .59 6

ATOM 1856 CG2 ILE A 348 56.793 91.031 -0.430 00 27, .15 6

ATOM 1857 C ILE A 348 56.781 92.738 -2.788 00 25, .79 6

ATOM 1858 O ILE A 348 57.835 92.338 -3.286 00 27, .99 8

ATOM 1859 N GLY A 349 55.635 92.724 -3.453 00 28 .59 7

ATOM 1860 CA GLY A 349 55.543 92.208 -4.813 00 29, .61 6

ATOM 1861 C GLY A 349 56.553 92.898 -5.728 00 31, .25 6

ATOM 1862 O GLY A 349 57.297 92.225 -6.450 00 33, .15 8

ATOM 1863 N LYS A 350 56.615 94.224 .710 1. .00 32, .04 7

ATOM 1864 CA LYS A 350 57.481 94.975 ,601 1. .00 32, .32 6

ATOM 1865 CB LYS A 350 56.970 96.422 .730 1. .00 32, .76 6

ATOM 1866 CG LYS A 350 55.580 96.500 .328 1. .00 30, .56 6

ATOM 1867 CD LYS A 350 55.152 97.934 .587 1. .00 31, .11 6

ATOM 1868 CE LYS A 350 53.833 97.930 -8.348 1. .00 31, .45 6

ATOM 1869 NZ LYS A 350 53.291 99.296 -8.539 1. .00 26. .86 7

ATOM 1870 C LYS A 350 58.943 95.038 -6.211 1. .00 33. .68 6 ATOM 1871 O LYS A 350 59..810 95..117 -7..092 1..00 34..42 8

ATOM 1872 N TYR A 351 59. .232 95. .195 -4, .920 1. .00 31. .59 7

ATOM 1873 CA TYR A 351 60. .596 95. .390 -4, .458 1. .00 31, .21 6

ATOM 1874 CB TYR A 351 60. .668 96. .675 -3, .612 1. .00 30, .31 6

ATOM 1875 CG TYR A 351 60. .188 97, .918 -4, .331 1. .00 31, .92 6

ATOM 1876 CDI TYR A 351 60, .867 98, .406 -5, .445 1. .00 33, .16 6

ATOM 1877 CEl TYR A 351 60. .438 99, .537 -6, .111 1. .00 33, .62 6

ATOM 1878 CZ TYR A 351 59, .319 100, .208 -5, .677 1. .00 33, .13 6

ATOM 1879 OH TYR A 351 58, .890 101, .337 -6, .341 1. .00 35, .01 8

ATOM 1880 CE2 TYR A 351 58, .624 99, .749 -4, .574 1. .00 33, .63 6

ATOM 1881 CD2 TYR A 351 59. .064 98. .613 -3. .918 1. .00 31. .13 6

ATOM 1882 C TYR A 351 61. .199 94. .195 -3. .742 1. .00 31. .07 6

ATOM 1883 O TYR A 351 62. .433 94. .122 -3. .643 1. .00 32. .39 8

ATOM 1884 N GLY A 352 60. .420 93. .242 -3. .235 1. .00 31. .66 7

ATOM 1885 CA GLY A 352 60. .988 92. .059 -2. .599 1. .00 31. .65 6

ATOM 1886 C GLY A 352 61. .077 92. .133 -1. .079 1. .00 32. .88 6

ATOM 1887 O GLY A 352 61. .042 93. .218 -0, .488 1. .00 33. .65 8

ATOM 1888 N ASN A 353 61. .273 90. .988 -0, .426 1. .00 33. .00 7

ATOM 1889 CA ASN A 353 61. .317 90. .907 1, .028 1. .00 33. .51 6

ATOM 1890 CB ASN A 353 61. .469 89. .445 1, .482 1. .00 33. .91 6

ATOM 1891 CG ASN A 353 60. .272 88. .580 1, .175 1. .00 32. .84 6

ATOM 1892 ODl ASN A 353 59. .213 89, .025 0. .735 1. .00 31. .76 8

ATOM 1893 ND2 ASN A 353 60. .405 87, .274 1. .411 1. .00 36. .85 7

ATOM 1894 C ASN A 353 62, .405 91. .730 1, .707 1. .00 33. .30 6

ATOM 1895 O ASN A 353 62. .155 92. .333 2, .762 1. .00 32. .64 8

ATOM 1896 N ASP A 354 63. .614 91, .759 1, .171 1. .00 33, .61 7

ATOM 1897 CA ASP A 354 64. .727 92, .473 1, .784 1. .00 32, .92 6

ATOM 1898 CB ASP A 354 66. .050 92, .093 1, .117 1. .00 37. .39 6

ATOM 1899 CG ASP A 354 66. .563 90, .754 1, .619 1. .00 41. .58 6

ATOM 1900 ODl ASP A 354 65. .946 90, .184 2, .544 1. .00 43. .53 8

ATOM 1901 OD2 ASP A 354 67, .586 90, .284 1, .077 1. .00 43. .21 8

ATOM 1902 C ASP A 354 64, .539 93, .984 1, .747 1. .00 32, .57 6

ATOM 1903 O ASP A 354 64, .863 94, .682 2, .715 1. .00 33, .18 8

ATOM 1904 N ALA A 355 64, .043 94, .487 0, .622 1. .00 30, .95 7

ATOM 1905 CA ALA A 355 63, .703 95, .889 0, .472 1. .00 29, .66 6

ATOM 1906 CB ALA A 355 63, .219 96, .183 -0, .942 1. .00 27, .17 6

ATOM 1907 C ALA A 355 62, .610 96, .256 1, .479 1. .00 28, .14 6

ATOM 1908 O ALA A 355 62, .729 97, .291 2, .123 1. .00 28, .06 8

ATOM 1909 N PHE A 356 61, .602 95, .401 1 .617 1. .00 26, .72 7

ATOM 1910 CA PHE A 356 60, .536 95, .612 2, .590 1. .00 26, .75 6

ATOM 1911 CB PHE A 356 59, .453 94, .528 2, .477 1. .00 23, .95 6

ATOM 1912 CG PHE A 356 58, .284 94, .724 3, .413 1. .00 24, .00 6

ATOM 1913 CDI PHE A 356 57, .410 95, .772 3 .231 1. .00 19, .26 6

ATOM 1914 CEl PHE A 356 56, .328 95, .968 4, .075 1. .00 21, .14 6

ATOM 1915 CZ PHE A 356 56, .127 95 .087 5 .125 1. .00 19, .62 6

ATOM 1916 CE2 PHE A 356 56, .995 94, .039 5 .317 1. .00 20, .90 6

ATOM 1917 CD2 PHE A 356 58, .068 93 .851 4 .473 1. .00 22, .50 6

ATOM 1918 C PHE A 356 61, .041 95 .653 4, .024 1. .00 26, .30 6

ATOM 1919 O PHE A 356 60, .743 96 .618 4 .726 1. .00 25, .12 8

ATOM 1920 N THR A 357 61, .836 94 .670 4 .473 1. .00 25, .52 7

ATOM 1921 CA THR ^•A 357 62, .293 94, .722 5 .868 1. .00 26, .00 6

ATOM 1922 CB THR A 357 62, .832 93 .365 6 .345 1. .00 29, .37 6

ATOM 1923 OGl THR A 357 63, .938 92, .960 5 .534 1. .00 32, .83 8

ATOM 1924 CG2 THR A 357 61. .738 92, .309 6, .262 1. .00 30. .81 6

ATOM 1925 C THR A 357 63. .282 95, .845 6, .137 1. .00 26. .20 6

ATOM 1926 O THR A 357 63. .246 96, .403 7. .245 1. .00 26. .95 8

ATOM 1927 N THR A 358 64. .046 96. .291 5, .145 1. .00 25. .23 7 ATOM 1928 CA THR A 358 64..855 97..502 5..252 1.,00 24..76 6

ATOM 1929 CB THR A 358 65. .797 97. .595 4. .032 1. ,00 27. .44 6

ATOM 1930 OGl THR A 358 66. .786 96. .560 4. .134 1. ,00 30. .85 8

ATOM 1931 CG2 THR A 358 66, .497 98. .937 3, .926 1. .00 33. .15 6

ATOM 1932 C THR A 358 63, .989 98. .755 5, .315 1. .00 24. .72 6

ATOM 1933 O THR A 358 64. .222 99. ,679 6. .101 1. .00 27. .10 8

ATOM 1934 N PHE A 359 62. .964 98. .815 4. .465 1. .00 23. .30 7

ATOM 1935 CA PHE A 359 62. .058 99. .942 4. .384 1. ,00 22. .51 6

ATOM 1936 CB PHE A 359 61. .032 99. .739 3. .259 1. ,00 24. .86 6

ATOM 1937 CG PHE A 359 60. .189 100. .957 3. .004 1. ,00 23. .86 6

ATOM 1938 CDI PHE A 359 60, .602 101. .919 2. .101 1. .00 25. .53 6

ATOM 1939 CEl PHE A 359 59, .836 103. .043 1, .854 1. .00 29. .94 6

ATOM 1940 CZ PHE A 359 58, .639 103. .225 2, .521 1. .00 28. .22 6

ATOM 1941 CE2 PHE A 359 58, .218 102. .273 3, .423 1. .00 26. .69 6

ATOM 1942 CD2 PHE A 359 58, .988 101, .149 3, .660 1. .00 27, .33 6

ATOM 1943 C PHE A 359 61, .336 100, .190 5, .700 1. .00 22, .72 6

ATOM 1944 O PHE A 359 61. .312 101. .325 6. .187 1. .00 22. .87 8

ATOM 1945 N VAL A 360 60, .881 99. .121 6. .372 1. .00 22. .05 7

ATOM 1946 CA VAL A 360 60, .057 99. .324 7. .571 1. .00 21. .07 6

ATOM 1947 CB VAL A 360 59, .195 98. .085 7. .874 1. ,00 23. .83 6

ATOM 1948 CGI VAL A 360 58, .165 97. .877 6, .806 0. .00 37. .40 6

ATOM 1949 CG2 VAL A 360 60, .085 96. .863 8, .067 1. .00 22. .85 6

ATOM 1950 C VAL A 360 60, .893 99. .728 8, .779 1. .00 21. .90 6

ATOM 1951 O VAL A 360 60, .322 100, .117 9, .807 1. .00 23. .77 8

ATOM 1952 N LYS A 361 62, .205 99 . .680 8, .681 1. .00 22, .65 7

ATOM 1953 CA LYS A 361 63 .146 100, .079 9, .703 1. .00 25, .05 6

ATOM 1954 CB LYS A 361 64, .237 98. .988 9. .714 1. .00 28. .51 6

ATOM 1955 CG LYS A 361 65, .166 98. .916 10, .898 1. .00 38. .07 6

ATOM 1956 CD LYS A 361 66, .235 97. .854 10, .667 1. .00 35. .57 6

ATOM 1957 CE LYS A 361 66, .250 96. .878 9, .441 0. .00 59. .02 6

ATOM 1958 NZ LYS A 361 67, .190 95. .885 9, .500 1. .00 44. .53 7

ATOM 1959 C LYS A 361 63, .799 101, .426 9, .409 1. .00 24, .59 6

ATOM 1960 0 LYS A 361 64, .657 101, .842 10, .198 1. .00 23, .11 8

ATOM 1961 N ASN A 362 63 .385 102, .140 8, .357 1. .00 24, .51 7

ATOM 1962 CA ASN A 362 64 .118 103, .345 7 .957 1. .00 24, .45 6

ATOM 1963 CB ASN A 362 64 .330 103, .372 6 .437 1. .00 25, .97 6

ATOM 1964 CG ASN A 362 65 .192 104, .535 5 .989 1. .00 30, .75 6

ATOM 1965 ODl ASN A 362 66, .130 104, .946 6, .672 1. .00 29. .99 8

ATOM 1966 ND2 ASN A 362 64, .879 105, .092 4, .824 1. .00 33. .01 7

ATOM 1967 C ASN A 362 63, .481 104, .626 8, .451 1. .00 24. .70 6

ATOM 1968 O ASN A 362 63, .828 105, .074 9, .562 1, .00 22. .26 8

ATOM 1969 N ASP A 363 62, .502 105, .176 7, .731 1. .00 22, .38 7

ATOM 1970 CA ASP A 363 61 .861 106, .427 8 .128 1. .00 22, .37 6

ATOM 1971 CB ASP A 363 61 .458 107, .261 6 .902 1. .00 23, .92 6

ATOM 1972 CG ASP A 363 62 .683 107, .769 6 .162 1. .00 29, .66 6

ATOM 1973 ODl ASP A 363 63 .602 108, .301 6 .823 1. .00 29, .23 8

ATOM 1974 OD2 ASP A 363 62 .738 107, .636 4 .918 1, .00 32, .61 8

ATOM 1975 C ASP A 363 60, .658 106. .230 9, .031 1, .00 21. .52 6

ATOM 1976 O ASP A 363- 59, .509 106, .543 8, .686 1, .00 22. .36 8

ATOM 1977 N LYS A 364 60, .940 105, .731 10, .227 1. .00 16, .07 7

ATOM 1978 CA LYS A 364 59, .909 105, .473 11 .235 1, .00 15, .78 6

ATOM 1979 CB LYS A 364 60 .265 104, .218 12, .030 1. .00 20, .37 6

ATOM 1980 CG LYS A 364 59 .243 103, .814 13 .076 1. .00 20, .61 6

ATOM 1981 CD LYS A 364 59 .611 102, .510 13 .757 1, .00 17, .24 6

ATOM 1982 CE LYS A 364 59 .588 101, .290 12 .862 1, .00 18, .34 6

ATOM 1983 NZ LYS A 364 59 .845 100, .045 13 .664 1, .00 21. .00 7

ATOM 1984 C LYS A 364 59 .819 106, .721 12 .090 1, .00 16, .65 6 ATOM 1985 O LYS A 364 60.738 107.008 12..886 1.,00 18..70 8

ATOM 1986 N LYS A 365 58.763 107.515 11. ,890 1. ,00 15. .46 7

ATOM 1987 CA LYS A 365 58.707 108.808 12. .561 1. ,00 15. .85 6

ATOM 1988 CB LYS A 365 58.250 109.893 11. .569 1. .00 20, .76 6

ATOM 1989 CG LYS A 365 59.158 110.143 10. ,379 1. .00 26. .32 6

ATOM 1990 CD LYS A 365 58.900 111.565 9. .877 1. .00 34. .06 6

ATOM 1991 CE LYS A 365 59.532 111.875 8. .543 1. .00 37, .96 6

ATOM 1992 NZ LYS A 365 58.635 111.580 7. .389 1. .00 37. .56 7

ATOM 1993 C LYS A 365 57.740 108.848 13. .723 1. .00 14. .42 6

ATOM 1994 O LYS A 365 56.615 108.332 13. .585 1. .00 14, .83 8

ATOM 1995 N SER A 366 58.063 109.565 14. .798 1. .00 12. .01 7

ATOM 1996 CA SER A 366 57.076 109.834 15. .839 1. .00 12. .04 6

ATOM 1997 CB SER A 366 57.639 110.712 16. .954 1. .00 16, .62 6

ATOM 1998 OG SER A 366 58.604 109.996 17. .722 1. .00 16, .44 8

ATOM 1999 C SER A 366 55.843 110.492 15. .207 1. .00 11. .89 6

ATOM 2000 O SER A 366 55.943 111.299 14. .273 1. .00 14, .92 8

ATOM 2001 N PHE A 367 54.685 110.143 15. .747 1. .00 14, .40 7

ATOM 2002 CA PHE A 367 53.400 110.637 15. .260 1. .00 15, .82 6

ATOM 2003 CB PHE A 367 52.265 110.148 16. .164 1. .00 17, .83 6

ATOM 2004 CG PHE A 367 50.911 110.659 15. .750 1. .00 13, .22 6

ATOM 2005 CDI PHE A 367 50.271 110.127 14. .636 1. .00 16. .75 6

ATOM 2006 CEl PHE A 367 49.023 110.612 14. .259 1. .00 17, .24 6

ATOM 2007 CZ PHE A 367 48.419 111.623 14. .988 1. .00 19, .28 6

ATOM 2008 CE2 PHE A 367 49.056 112.153 16. .091 1. .00 20. .16 6

ATOM 2009 CD2 PHE A 367 50.299 111.669 16. .464 1. .00 18, .79 6

ATOM 2010 C PHE A 367 53.384 112.159 15. .130 1. .00 13, .29 6

ATOM 2011 O PHE A 367 52.931 112.651 14, .095 1. .00 13, .71 8

ATOM 2012 N ALA A 368 53.875 112.907 16. .110 1. .00 14, .82 7

ATOM 2013 CA ALA A 368 53.826 114.379 16. .010 1. .00 15, .18 6

ATOM 2014 CB ALA A 368 54.355 114.981 17, .308 1. .00 15, .97 6

ATOM 2015 C ALA A 368 54.587 114.895 14. .808 . 1. .00 16, .01 6

ATOM 2016 O ALA A 368 54.128 115.839 14. .154 1. .00 15, .56 8

ATOM 2017 N HIS A 369 55.725 114.295 14, .466 1. .00 14 .44 7

ATOM 2018 CA HIS A 369 56.488 114.703 13. .292 1. .00 16, .12 6

ATOM 2019 CB HIS A 369 57.876 114.042 13. .369 1. .00 16, .51 6

ATOM 2020 CG HIS A 369 58.836 114.605 12, .368 1. .00 17 .99 6

ATOM 2021 NDl HIS A 369 60.090 114.051 12. .152 1. .00 22, .49 7

ATOM 2022 CEl HIS A 369 60.718 114.740 11, .219 1. .00 24, .61 6

ATOM 2023 NE2 HIS A 369 59.925 115.718 10. .814 1. .00 26 .20 7

ATOM 2024 CD2 HIS A 369 58.745 115, 654 11, .520 1. .00 21 .26 6

ATOM 2025 C HIS A 369 55.760 114.377 11, .992 1. .00 16, .85 6

ATOM 2026 O HIS A 369 55.569 115.218 11, .096 1. .00 16 .77 8

ATOM 2027 N TYR A 370 55.138 113, 200 11, .920 1. .00 15 .56 7

ATOM 2028 CA TYR A 370 54.273 112.844 10, .794 1. .00 15, .98 6

ATOM 2029 CB TYR A 370 53.695 111.419 10, .960 1. .00 17 .05 6

ATOM 2030 CG TYR A 370 52.658 Ill, 092 9, .898 1. .00 16 .07 6

ATOM 2031 CDI TYR A 370 53.072 110.748 8. .621 1. .00 16, .84 6

ATOM 2032 CEl TYR A 370 52.159 110.444 7, .621 1. .00 17 .45 6

ATOM 2033 CZ TYR A 370 50.812 110, 507 7, .915 1. .00 19 .40 6

ATOM 2034 OH TYR A 370 49.902 110.213 6, .909 1. .00 24, .03 8

ATOM 2035 CE2 TYR A 370 50.377 110.848 9. .172 1. .00 19 .47 6

ATOM 2036 CD2 TYR A 370 51.296 111.137 10, .162 1. .00 17 .51 6

ATOM 2037 C TYR A 370 53.121 113, 828 10, .629 1. .00 15 .68 6

ATOM 2038 O TYR A 370 52.869 114.330 9. .532 1. .00 16, .47 8

ATOM 2039 N LYS A 371 52.390 114.103 11, .705 1. .00 15 .26 7

ATOM 2040 CA LYS A 371 51.228 114.971 11, .709 1. .00 15 .10 6

ATOM 2041 CB LYS A 371 50.629 115.092 13. .112 1. .00 15, .59 6 ATOM 2042 CG LYS A 371 49.389 115.987 13.,174 1.00 15..84 6

ATOM 2043 CD LYS A 371 48.732 115.825 14. ,540 1. 00 15. .51 6

ATOM 2044 CE LYS A 371 47.712 116.918 14. .787 1. ,00 16. .47 6

ATOM 2045 NZ LYS A 371 47.195 116.812 16. .192 1. ,00 19. .25 7

ATOM 2046 C LYS A 371 51.555 116.372 11. .203 1. 00 14. .79 6

ATOM 2047 O LYS A 371 50.921 116.864 10. .262 1. .00 15. .46 8

ATOM 2048 N VAL A 372 52.635 116.942 11. .758 1. .00 14. .97 7

ATOM 2049 CA VAL A 372 52.970 118.310 11. .328 1. .00 15. .60 6

ATOM 2050 CB VAL A 372 53.997 118.998 12. .239 1. .00 16. .91 6

ATOM 2051 CGI VAL A 372 55.425 118.536 11. .984 1. .00 18. .00 6

ATOM 2052 CG2 VAL A 372 53.901 120.513 12. .088 1. .00 16. .55 6

ATOM 2053 C VAL A 372 53.421 118.316 9. .872 1. ,00 15. .59 6

ATOM 2054 O VAL A 372 53.123 119.283 9. .156 1. .00 16. .77 8

ATOM 2055 N SER A 373 53.999 117.222 9. .366 1. .00 15. .20 7

ATOM 2056 CA SER A 373 54.416 117.176 7. .975 1. ,00 18. .26 6

ATOM 2057 CB SER A 373 55.295 115.962 7. .696 1. .00 21. .51 6

ATOM 2058 OG SER A 373 54.551 114.759 7. .649 1. .00 26. .27 8

ATOM 2059 C SER A 373 53.204 117.223 7. .052 1. .00 17. .92 6

ATOM 2060 O SER A 373 53.212 117.989 6. .076 1. .00 21. .65 8

ATOM 2061 N ILE A 374 52.098 116.589 7. .421 1. .00 16. .54 7

ATOM 2062 CA ILE A 374 50.870 116.647 6, .636 1. .00 16. .74 6

ATOM 2063 CB ILE A 374 49.806 115.666 7. .188 1. .00 22. .91 6

ATOM 2064 CGI ILE A 374 50.303 114.231 7. .051 1. .00 22. .61 6

ATOM 2065 CDI ILE A 374 50.430 113.681 5, .655 1. .00 27. .92 6

ATOM 2066 CG2 ILE A 374 48.456 115.883 6, .516 1. .00 24, .64 6

ATOM 2067 C ILE A 374 50.276 118.046 6, .612 1. .00 18. .77 6

ATOM 2068 O ILE A 374 49.742 118.476 5, .585 1. .00 20. .54 8

ATOM 2069 N LEU A 375 50.414 118.795 7, .705 1. .00 18, .19 7

ATOM 2070 CA LEU A 375 49.848 120.128 7, .827 1. .00 18, .09 6

ATOM 2071 CB LEU A 375 49.481 120.380 9. .311 1. .00 18. .76 6

ATOM 2072 CG LEU A 375 48.515 119.359 9, .932 1. .00 17, .82 6

ATOM 2073 CDI LEU A 375 48.375 119.560 11, .435 1. .00 19, .77 6

ATOM 2074 CD2 LEU A 375 47.137 119.458 9, .285 1. .00 19. .35 6

ATOM 2075 C LEU A 375 50.764 121.245 7. .357 1. .00 16. .84 6

ATOM 2076 O LEU A 375 50.402 122.429 7, .439 1. .00 18, .82 8

ATOM 2077 N LYS A 376 51.957 120.922 6, .883 1. .00 17, .47 7

ATOM 2078 CA LYS A 376 52.989 121.871 6, .532 1. .00 19, .94 6

ATOM 2079 CB LYS A 376 54.170 121.194 5 .824 1. .00 24, .36 6

ATOM 2080 CG LYS A 376 55.310 122.150 5 .477 1. .00 26, .98 6

ATOM 2081 CD LYS A 376 56.291 121.474 4, .530 1. .00 34, .38 6

ATOM 2082 CE LYS A 376 57.162 122.489 3, .804 1. .00 37, .78 6

ATOM 2083 NZ LYS A 376 58.005 121.825 2 .767 1. .00 43, .81 1

ATOM 2084 C LYS A 376 52.526 123.050 5, .683 1. .00 19, .77 6

ATOM 2085 O LYS A 376 52.804 124.186 6, .050 1. .00 19, .29 8

ATOM 2086 N ASP A 377 51.824 122.793 4 .587 1. .00 19, .60 7

ATOM 2087 CA ASP A 377 51.487 123.872 3 .653 1. .00 21, .27 6

ATOM 2088 CB ASP A 377 51.055 123.278 2, .314 1. .00 22, .22 6

ATOM 2089 CG ASP A 377 52.211 122.699 1, .524 1. .00 31, .23 6

ATOM 2090 ODl ASP A 377 53.370 122.886 1 .946 1. .00 33, .69 8

ATOM 2091 OD2 ASP A 377 51.951 122.061 0 .479 1. .00 38, .12 8

ATOM 2092 C ASP A 377 50.408 124.116 4, .222 1. .00 19, .25 6

ATOM 2093 O ASP A 377 50.430 126.005 4 .114 1. .00 21 .00 8

ATOM 2094 N PHE A 378 49.475 124.154 4 .931 1. .00 19, .46 7

ATOM 2095 CA PHE A 378 48.380 124.828 5, .605 1. .00 20, .25 6

ATOM 2096 CB PHE A 378 47.620 123.733 6, .323 1. .00 26, .02 6

ATOM 2097 CG PHE A 378 46.222 123.858 6 .787 1. .00 38, .21 6

ATOM 2098 CDI PHE A 378 45.562 122.696 7, .182 1. .00 33, .45 6 ATOM 2099 CEl PHE A 378 44.267 122.679 7..627 1..00 40..59 6

ATOM 2100 CZ PHE A 378 43.607 123.886 7. .686 1. .00 39. .75 6

ATOM 2101 CE2 PHE A 378 44.213 125.052 7. .304 1. .00 33. .66 6

ATOM 2102 CD2 PHE A 378 45.520 125.042 6, .850 1. .00 35. .28 6

ATOM 2103 C PHE A 378 48.952 125.830 6. .606 1. .00 19. .12 6

ATOM 2104 O PHE A 378 48.642 127.025 6. .642 1. .00 21. .52 8

ATOM 2105 N ILE A 379 49.867 125.319 7, .438 1. .00 15. .66 7

ATOM 2106 CA ILE A 379 50.547 126.145 8. .441 1. .00 16. .61 6

ATOM 2107 CB ILE A 379 51.516 125.257 9. .254 1. .00 18. .09 6

ATOM 2108 CGI ILE A 379 50.697 124.298 10. .131 1. .00 17, .40 6

ATOM 2109 CDI ILE A 379 51.540 123, 165 10, .712 1. .00 19, .84 6

ATOM 2110 CG2 ILE A 379 52.478 126.082 10. .092 1. .00 18. .59 6

ATOM 2111 C ILE A 379 51.289 127.316 7. .815 1. .00 16, .46 6

ATOM 2112 O ILE A 379 51.259 128, 442 8, .345 1. .00 19, .76 8

ATOM 2113 N ALA A 380 51.942 127.096 6. .684 1. .00 18. .87 7

ATOM 2114 CA ALA A 380 52.749 128.125 6. .046 1. .00 19, .12 6

ATOM 2115 CB ALA A 380 53.689 127, 486 5, .026 1. .00 19, .67 6

ATOM 2116 C ALA A 380 51.945 129.181 5. .296 1. .00 19. .95 6

ATOM 2117 O ALA A 380 52.532 130.220 4. .964 1. .00 20. .84 8

ATOM 2118 N HIS A 381 50.676 128.949 5, .005 1. .00 18, .06 7

ATOM 2119 CA HIS A 381 49.896 129.901 4. .227 1. .00 19. .80 6

ATOM 2120 CB HIS A 381 49.334 129.236 2. .967 1. .00 19. .80 6

ATOM 2121 CG HIS A 381 50.357 129.039 1. .892 1. .00 22. .33 6

ATOM 2122 NDl HIS A 381 51.239 127, 982 1, .881 1. .00 30, .15 7

ATOM 2123 CEl HIS A 381 52.019 128.071 0. .810 1. .00 26. .90 6

ATOM 2124 NE2 HIS A 381 51.662 129.146 0. .133 1. .00 32, .16 7

ATOM 2125 CD2 HIS A 381 50.626 129, 777 0, .785 1. .00 24, .59 6

ATOM 2126 C HIS A 381 48.733 130.520 4. .992 1. .00 19. .37 6

ATOM 2127 O HIS A 381 48.307 131.625 4. .653 1. .00 21. .58 8

ATOM 2128 N ASN A 382 48.236 129, 843 6. .018 1. .00 17, .80 7

ATOM 2129 CA ASN A 382 47.048 130.323 6. .733 1. .00 18. .71 6

ATOM 2130 CB ASN A 382 45.950 129.266 6. .568 1. .00 17. .65 6

ATOM 2131 CG ASN A 382 44.688 129.508 7, .355 1. .00 16. .60 6

ATOM 2132 ODl ASN A 382 44.666 130.169 8. .407 1. .00 18. .44 8

ATOM 2133 ND2 ASN A 382 43.560 128.974 6. .889 1. .00 17. .00 7

ATOM 2134 C ASN A 382 47.384 130.621 8. .180 1. .00 18. .23 6

ATOM 2135 O ASN A 382 47.709 129, 715 8, .952 1. .00 17, .23 8

ATOM 2136 N ASP A 383 47.326 131.906 8. .566 1. .00 17. .20 7

ATOM 2137 CA ASP A 383 47.781 132.319 9, .896 1. .00 16. .33 6

ATOM 2138 CB ASP A 383 47.933 133.842 9, .982 1. .00 17, .93 6

ATOM 2139 CG ASP A 383 49.173 134.343 9. .257 1. .00 22. .00 6

ATOM 2140 ODl ASP A 383 50.064 133.505 9. .002 1. .00 21. .03 8

ATOM 2141 OD2 ASP A 383 49.264 135.554 8, .956 1. .00 16, .08 8

ATOM 2142 C ASP A 383 46.911 131.777 11. .015 1. .00 17. .24 6

ATOM 2143 O ASP A 383 47.372 131.554 12. .146 1. .00 17. .12 8

ATOM 2144 N LEU A 384 45.618 131.615 10. .748 1. .00 14, .66 7

ATOM 2145 CA LEU A 384 44.708 131.049 11. .740 1. .00 16. .41 6

ATOM 2146 CB LEU A 384 43.257 131.217 11. .297 1. .00 19. .00 6

ATOM 2147 CG LEU A 384 42.223 130.745 12. .326 1. .00 21, .01 6

ATOM 2148 CDI LEU A 384 42.405 131.448 13. .663 1. .00 21, .50 6

ATOM 2149 CD2 LEU A 384 40.826 130.979 11. .761 1. .00 22. .92 6

ATOM 2150 C LEU A 384 45.029 129.576 11, .992 1. .00 18. .15 6

ATOM 2151 O LEU A 384 45.133 129.191 13, .148 1. .00 17, .55 8

ATOM 2152 N SER A 385 45.374 128.855 10. .927 1. .00 17. .73 7

ATOM 2153 CA SER A 385 45.797 127.457 11. .061 1. .00 17. .80 6

ATOM 2154 CB SER A 385 45.833 126.789 9. .692 1. .00 17. .58 6

ATOM 2155 OG SER A 385 44.529 126.809 9. .115 1. .00 17. ,61 8 ATOM 2156 C SER A 385 47..166 127..379 11..719 1..00 17..19 6

ATOM 2157 O SER A 385 47. .424 126. .505 12. .546 1. .00 17. .50 8

ATOM 2158 N TYR A 386 48. .040 128. .340 11. .395 1. .00 17. .33 7

ATOM 2159 CA TYR A 386 49, .334 128. .384 12, .104 1. .00 17. .22 6

ATOM 2160 CB TYR A 386 50. .109 129, .612 11, .610 1. .00 18. .23 6

ATOM 2161 CG TYR A 386 51. .445 129, .825 12, .277 1. .00 15. .74 6

ATOM 2162 CDI TYR A 386 52. .613 129, .458 11. .624 1. .00 15, .65 6

ATOM 2163 CEl TYR A 386 53. .856 129, .640 12, .225 1. .00 16, .94 6

ATOM 2164 CZ TYR A 386 53. .921 130, .200 13. .481 1. .00 18, .83 6

ATOM 2165 OH TYR A 386 55. .138 130. .404 14. .091 1. .00 22. .51 8

ATOM 2166 CΞ2 TYR A 386 52. .777 130, .583 14. .148 1. .00 18. .70 6

ATOM 2167 CD2 TYR A 386 51, .543 130. .393 13. .542 1. .00 19. .05 6

ATOM 2168 C TYR A 386 49. .108 128, .420 13. .608 1. .00 17. .16 6

ATOM 2169 0 TYR A 386 49. .680 127. .620 14, .359 1. .00 17. .59 8

ATOM 2170 N GLU A 387 48. .268 129. .336 14. .099 1. .00 16. .53 7

ATOM 2171 CA GLU A 387 48. .038 129, .456 15. .535 1. .00 16. .31 6

ATOM 2172 CB GLU A 387 47. .129 130, .648 15. .830 1. .00 17. .50 6

ATOM 2173 CG GLU A 387 46. .986 130. .930 17. .322 1. .00 17. .42 6

ATOM 2174 CD GLU A 387 45, .891 131. .959 17. .565 1. .00 25. .43 6

ATOM 2175 OEl GLU A 387 44, .892 131. .903 16. .809 1. .00 37. .90 8

ATOM 2176 OE2 GLU A 387 45. .994 132. .786 18. .475 1. .00 31. .62 8

ATOM 2177 C GLU A 387 47, .411 128, .195 16, .133 1. .00 17, .61 6

ATOM 2178 O GLU A 387 47, .887 127, .660 17, .137 1. .00 18, .37 8

ATOM 2179 N ARG A 388 46, .355 127, .727 15, .468 1. .00 17, .12 7

ATOM 2180 CA ARG A 388 45, .655 126, .550 15, .985 1. .00 17, .70 6

ATOM 2181 CB ARG A 388 44, .400 126, .311 15, .161 1. .00 19, .05 6

ATOM 2182 CG ARG A 388 43, .443 127, .484 15, .385 1. .00 14, .77 6

ATOM 2183 CD ARG A 388 42, .277 127, .288 14, .400 1. .00 20, .37 6

ATOM 2184 NE ARG A 388 41, .188 128, .173 14, .799 1. .00 22, .70 7

ATOM 2185 CZ ARG A 388 40, .085 128, .353 14, .077 1. .00 21, .82 6

ATOM 2186 NHl ARG A 388 39, .936 127, .707 12, .932 1. .00 23, .27 7

ATOM 2187 NH2 ARG A 388 39, .174 129, .188 14, .558 1. .00 22, .22 7

ATOM 2188 C ARG A 388 46, .528 125. .311 15, .978 1. .00 18, .01 6

ATOM 2189 O ARG A 388 46, .491 124. .579 16, .969 1. .00 17, .80 8

ATOM 2190 N TYR A 389 47, .317 125, .131 14, .922 1. .00 17, .74 7

ATOM 2191 CA TYR A 389 48, .155 123, .930 14, .859 1. .00 16. .55 6

ATOM 2192 CB TYR A 389 48, .481 123, .553 13. .412 1. .00 18. .55 6

ATOM 2193 CG TYR A 389 47, .270 123, .008 12. .672 1. .00 20. .32 6

ATOM 2194 CDI TYR A 389 46, .486 122, .041 13. .292 1. .00 23. .51 6

ATOM 2195 CEl TYR A 389 45, .367 121, .512 12. .676 1. .00 24. .80 6

ATOM 2196 CZ TYR A 389 45, .042 121, .939 11. .407 1. .00 26. .68 6

ATOM 2197 OH TYR A 389 43, .928 121, .401 10. .789 1. .00 31. .02 8

ATOM 2198 CE2 TYR A 389 45. .819 122. .874 10. .755 1. .00 24. .51 6

ATOM 2199 CD2 TYR A 389 46 .933 123 .406 11, .390 1. .00 23, .35 6

ATOM 2200 C TYR A 389 49 .386 124 .050 15, .733 1. .00 17, .04 6

ATOM 2201 O TYR A 389 49 .827 123 .019 16, .283 1. .00 15, .55 8

ATOM 2202 N LEU A 390 49 .895 125 .266 15, .995 1. .00 15, .57 7

ATOM 2203 CA LEU A 390 50 .956 125 .367 17, .004 1. .00 14, .78 6

ATOM 2204 CB LEU A 390 51 .555 126 .775 17, .063 1. .00 18, .41 6

ATOM 2205 CG LEU A 390 52 .754 126 .978 17, .984 1. .00 18, .43 6

ATOM 2206 CDI LEU A 390 53 .830 125 .915 17, .839 ^■ 1. .00 24, .68 6

ATOM 2207 CD2 LEU A 390 53 .388 128 .346 17, .689 1. .00 20, .73 6

ATOM 2208 C LEU A 390 50. .442 124, .930 18. .378 1. .00 16. .16 6

ATOM 2209 O LEU A 390 51, .132 124, .161 19, .066 1. .00 17, .16 8

ATOM 2210 N LYS A 391 49, .232 125, .358 18. .747 1. .00 16, .51 7

ATOM 2211 CA LYS A 391 48, .653 124, .937 20. .015 1. .00 16. .78 6

ATOM 2212 CB LYS A 391 47, .374 125, .694 20. .376 1. .00 19. .40 6 ATOM 2213 CG LYS A 391 47..687 127..189 20..553 1.,00 20..38 6

ATOM 2214 CD LYS A 391 46. .405 127. .958 20. .846 1. .00 25. .83 6

ATOM 2215 . CE LYS A 391 46. .565 129. .420 21. .204 0. .00 31. .84 6

ATOM 2216 NZ LYS A 391 45. .135 130. .003 21. .416 1. .00 32. .20 7

ATOM 2217 C LYS A 391 48. .372 123. .430 20. .003 1. .00 16. .33 6

ATOM 2218 O LYS A 391 48. .710 122. .778 20. .986 1. .00 18. .05 8

ATOM 2219 N GLU A 392 47. .919 122. .906 18. .883 1. .00 16. .55 7

ATOM 2220 CA GLU A 392 47. .583 121. .492 18. .782 1. .00 16. .90 6

ATOM 2221 CB GLU A 392 46. .808 121. .246 17. .488 1. .00 20. .78 6

ATOM 2222 CG GLU A 392 46. .138 119. .885 17. .470 1. .00 26. .44 6

ATOM 2223 CD GLU A 392 45. .224 119. .687 16. .279 1. .00 26. .82 6

ATOM 2224 OEl GLU A 392 45. .367 118. .636 15. .621 1. .00 27. .39 8

ATOM 2225 OE2 GLU A 392 44. .374 120. .558 16. .004 1. .00 28. .36 8

ATOM 2226 C GLU A 392 48. .811 120. .605 18. .890 1. .00 16. .82 6

ATOM 2227 O GLU A 392 48. .831 119. .691 19. .725 1. .00 17. .55 8

ATOM 2228 N LEU A 393 49. .871 120. .901 18. .139 1. .00 14. .26 7

ATOM 2229 CA LEU A 393 51. .111 120. .136 18. .206 1. .00 15. .57 6

ATOM 2230 CB LEU A 393 52. .083 120. .526 .17. .090 1. .00 14. .33 6

ATOM 2231 CG LEU A 393 51. .928 119. .781 15. .758 1. .00 16. .15 6

ATOM 2232 CDI LEU A 393 52. .449 118. .352 15. .931 1. .00 19. .21 6

ATOM 2233 CD2 LEU A 393 50. .514 119. .822 15. .233 1. .00 15. .28 6

ATOM 2234 C LEU A 393 51. .768 120. .307 19. .571 1. .00 15. .30 6

ATOM 2235 O LEU A 393 52. .327 119. .335 20. .093 1. .00 16. .45 8

ATOM 2236 N SER A 394 51. .688 121. .497 20. .179 1. .00 15. .16 7

ATOM 2237 CA SER A 394 52. .165 121. .626 21. .557 1. .00 16. .23 6

ATOM 2238 CB SER A 394 51. .989 123. .073 22. .039 1. .00 19. .73 6

ATOM 2239 OG SER A 394 52. .911 123. .877 21. .301 1. .00 23. .39 8

ATOM 2240 C SER A 394 51. .432 120. .663 22. .485 1. .00 16. .78 6

ATOM 2241 O SER A 394 52, .084 119. .998 23. .308 1. .00 18. .53 8

ATOM 2242 N HIS A 395 50. .107 120. .578 22, .385 1. .00 15. .82 7

ATOM 2243 CA HIS A 395 49, .349 119. .611 23, .174 1. .00 16. .60 6

ATOM 2244 CB HIS A 395 47, .850 119. .705 22, .914 1. .00 20. .50 6

ATOM 2245 CG HIS A 395 47, .033 118, .772 23, .750 1. .00 22. .19 6

ATOM 2246 NDl HIS A 395 47, .029 118, .837 25, .130 1. .00 29. .07 7

ATOM 2247 CEl HIS A 395 46, .193 117, .932 25, .605 1. .00 24. .02 6

ATOM 2248 NE2 HIS A 395 45, .676 117, .275 24, .588 1. .00 25. .27 7

ATOM 2249 CD2 HIS A 395 46, .175 117. .786 23, .413 1. .00 24. .69 6

ATOM 2250 C HIS A 395 49, .780 118, .174 22, .864 1. .00 17. .22 6

ATOM 2251 O HIS A 395 49, .880 117, .366 23, .792 1. .00 17. .58 8

ATOM 2252 N ASP A 396 49, .901 117, .847 21, .581 1. .00 16, .35 7

ATOM 2253 CA ASP A 396 50, .318 116, .505 21, .179 1. .00 15, .83 6

ATOM 2254 CB ASP A 396 50, .458 116, .431 19, .658 1. .00 16, .92 6

ATOM 2255 CG ASP A 396 49, .163 116, .610 18, .897 1. .00 17, .64 6

ATOM 2256 ODl ASP A 396 48, .061 116, .346 19, .412 1. .00 18, .99 8

ATOM 2257 OD2 ASP A 396 49, .258 117, .015 17, .716 1. .00 18, .44 8

ATOM 2258 C ASP A 396 51, .648 116, .109 21 .812 1. .00 17, .21 6

ATOM 2259 O ASP A 396 51 .789 115, .022 22, .384 1. .00 17, .05 8

ATOM 2260 N ILE A 397 52, .622 117, .020 21, .731 1. .00 17, .14 7

ATOM 2261 CA ILE A 397 53 .928 116, .760 22 .337 1. .00 17, .10 6

ATOM 2262 CB ILE A 397 54, .938 117, .831 21, .895 1. .00 16, .98 6

ATOM 2263 CGI ILE A 397 55 .212 117, .704 20, .391 1. .00 16, .02 6

ATOM 2264 CDI ILE A 397 55, .963 118, .889 19, .823 1. .00 20, .63 6

ATOM 2265 CG2 ILE A 397 56, .224 117, .764 22, .696 1. .00 17, .18 6

ATOM 2266 C ILE A 397 53. .792 116. .635 23. .844 1. .00 17. .39 6

ATOM 2267 O ILE A 397 54. .457 115. .778 24. .443 1. .00 18. .13 8

ATOM 2268 N SER A 398 52. .888 117. .370 24. .485 1. .00 16. .07 7

ATOM 2269 CA SER A 398 52. .675 117. .256 25. .928 1. .00 18. .41 6 ATOM 2270 CB SER A 398 51.723 118.362 26..375 1..00 18..12 6

ATOM 2271 OG SER A 398 50.367 117.960 26. .238 1. .00 21. .48 8

ATOM 2272 C SER A 398 52.156 115.891 26. .351 1. .00 17. .99 6

ATOM 2273 O SER A 398 52.432 115.450 27, .474 1. .00 21. .76 8

ATOM 2274 N LEU A 399 51.472 115.176 25, .475 1. .00 17. .04 7

ATOM 2275 CA LEU A 399 50.966 113.834 25, .708 1. .00 16. .96 6

ATOM 2276 CB LEU A 399 49.864 113.549 24, .684 1. .00 19. .30 6

ATOM 2277 CG LEU A 399 48.585 114.381 24. .735 1. .00 17. .84 6

ATOM 2278 CDI LEU A 399 47.672 114, 092 23, .545 1, .00 20. .00 6

ATOM 2279 CD2 LEU A 399 47.839 114.150 26. .044 1. .00 23. .34 6

ATOM 2280 C LEU A 399 52.030 112.743 25, .643 1. .00 19. .67 6

ATOM 2281 0 LEU A 399 51.749 111.586 26, .032 1. .00 22. .02 8

ATOM 2282 N MET A 400 53.186 113.020 25. .064 1. .00 17. .68 7

ATOM 2283 CA MET A 400 54.228 112, 013 24, .866 1, .00 17. .54 6

ATOM 2284 CB MET A 400 55.334 112, 531 23, .933 1. .00 17. .27 6

ATOM 2285 CG MET A 400 54.445 111.538 22, .727 0. .00 24. .09 6

ATOM 2286 SD MET A 400 55.972 113.458 21, .267 1. .00 7. .31 16

ATOM 2287 CE MET A 400 56.926 110.813 21. .542 0. .00 31. .04 6

ATOM 2288 C MET A 400 54.820 111.584 26. .209 1. .00 20. .55 6

ATOM 2289 O MET A 400 55.264 112, 448 26, .961 1, .00 21. .70 8

ATOM 2290 N LYS A 401 54.834 110.271 26, .451 1. .00 19. .84 7

ATOM 2291 CA LYS A 401 55.308 109.773 27, .740 1. .00 22. .17 6

ATOM 2292 CB LYS A 401 54.478 108.547 28, .144 1. .00 23. .81 6

ATOM 2293 CG LYS A 401 53.052 108.884 28, .543 1. .00 23. .79 6

ATOM 2294 CD LYS A 401 52.945 109, 965 29, .596 1. .00 23. .60 6

ATOM 2295 CE LYS A 401 51.676 110, 493 29. .664 0. .00 44. .81 6

ATOM 2296 NZ LYS A 401 51.514 111.365 30, .861 0. .00 46. .37 7

ATOM 2297 C LYS A 401 56.801 109, 484 27, .756 1. .00 24. .15 6

ATOM 2298 O LYS A 401 57.376 109, 264 28. .833 1. .00 29. .13 8

ATOM 2299 N SER A 402 57.443 109, 447 26, .601 1. .00 22. .35 7

ATOM 2300 CA SER A 402 58.892 109, 306 26, .516 1. .00 23. .25 6

ATOM 2301 CB SER A 402 59.309 108, 700 25, .175 1. .00 24. .64 6

ATOM 2302 OG SER A 402 60.723 108, 690 25, .033 1. .00 21. .83 8

ATOM 2303 C SER A 402 59.544 110, 686 26. .607 1. .00 22. .63 6

ATOM 2304 O SER A 402 59.431 111, 451 25, .643 1. .00 20. .48 8

ATOM 2305 N SER A 403 60.401 110, 943 27, .595 1. .00 21. .21 7

ATOM 2306 CA SER A 403 61.092 112.235 27. .620 1. .00 21. .27 6

ATOM 2307 CB SER A 403 61.810 112.444 28, .960 1. .00 23. .28 6

ATOM 2308 OG SER A 403 62.829 111.464 29, .102 1. .00 33. .79 8

ATOM 2309 C SER A 403 62.060 112.369 26. .450 1. .00 20. .08 6

ATOM 2310 O SER A 403 62.151 113, 440 25, .827 1, .00 19, .85 8

ATOM 2311 N ILE A 404 62.775 111.295 26, .094 1. .00 19. .07 7

ATOM 2312 CA ILE A 404 63.709 111.348 24, .973 1. .00 19. .19 6

ATOM 2313 CB ILE A 404 64.485 110.034 24. .791 1. .00 19. .31 6

ATOM 2314 CGI ILE A 404 65.477 109.858 25. .955 1. .00 21. .71 6

ATOM 2315 CDI ILE A 404 65.954 108, 422 26, .095 1. .00 23. .09 6

ATOM 2316 CG2 ILE A 404 65.227 109.967 23, .467 1. .00 17. .25 6

ATOM 2317 C ILE A 404 62.970 111.688 23. .674 1. .00 20. .06 6

ATOM 2318 O ILE A 404 63.441 112.517 22. .888 1. .00 20. .04 8

ATOM 2319 N LEU A 405 61.888 110.941 23. .411 1. .00 19. .03 7

ATOM 2320 CA LEU A 405 61.201 111.211 22, .129 1. .00 18. .18 6

ATOM 2321 CB LEU A 405 60.434 109.969 21, .691 1. .00 22. .64 6

ATOM 2322 CG LEU A 405 61.367 108.903 21. .070 1. .00 24. .68 6

ATOM 2323 CDI LEU A 405 60.596 107.871 20. .283 1. .00 25. .50 6

ATOM 2324 CD2 LEU A 405 62.435 109.496 20. .154 1. .00 26. .20 6

ATOM 2325 C LEU A 405 60.406 112.496 22. .144 1. .00 17. .09 6

ATOM 2326 O LEU A 405 60.306 113.150 21. .086 1. .00 15. .97 8 ATOM 2327 N GLN A 406 60,.002 112..952 23,.319 1..00 16..82 7

ATOM 2328 CA GLN A 406 59, .324 114, .249 23, .434 1. .00 19. .53 6

ATOM 2329 CB GLN A 406 58, .681 114, .373 24, .816 1. .00 17, .61 6

ATOM 2330 CG GLN A 406 57, .975 115, .692 25, .067 1. .00 21. .86 6

ATOM 2331 CD GLN A 406 57, .516 115, .807 26, .514 1. .00 24. .13 6

ATOM 2332 OEl GLN A 406 58, .354 115, .842 27, .423 1. .00 28. .63 8

ATOM 2333 NE2 GLN A 406 56, .205 115, .851 26, .740 1. .00 21. .17 7

ATOM 2334 C GLN A 406 60, .261 115, .396 23. .088 1. .00 19. .14 6

ATOM 2335 O GLN A 406 59, .999 116. .216 22. .188 1. .00 19. .30 8

ATOM 2336 N GLN A 407 61, .519 115. .342 23. .547 1. .00 22. .10 7

ATOM 2337 CA GLN A 407 62, .527 116. .338 23. .217 1. .00 21. .19 6

ATOM 2338 CB GLN A 407 63 .750 116, .196 24, .138 1. .00 22, .67 6

ATOM 2339 CG GLN A 407 63 .431 116, .379 25, .613 1. .00 28, .62 6

ATOM 2340 CD GLN A 407 63, .049 117, .809 25, .958 1. .00 34, .59 6

ATOM 2341 OEl GLN A 407 62, .195 117, .988 26, .772 0. .00 56. .69 8

ATOM 2342 NE2 GLN A 407 63, .673 118, .764 25, .264 1. .00 36. .91 7

ATOM 2343 C GLN A 407 62, .948 116, .273 21, .753 1. .00 22. .40 6

ATOM 2344 O GLN A 407 62, .997 117, .308 21, .063 1. .00 23. .92 8

ATOM 2345 N LYS A 408 63, .010 115, .070 21. .171 1. .00 21. .77 7

ATOM 2346 CA LYS A 408 63, .291 114, .948 19. .753 1, .00 20. .45 6

ATOM 2347 CB LYS A 408 63, .539 113. .504 19. .325 1, .00 19. .55 6

ATOM 2348 CG LYS A 408 64, .015 113, .473 17. .879 1. .00 22. .93 6

ATOM 2349 CD LYS A 408 64, .377 112, .094 17. .393 1, .00 25. .54 6

ATOM 2350 CE LYS A 408 65, .170 112, .194 16. .095 1. .00 21. .43 6

ATOM 2351 NZ LYS A 408 64, .312 112, .592 14. .944 1. .00 20. .22 7

ATOM 2352 C LYS A 408 62 .150 115, .561 18, .929 1. .00 20. .59 6

ATOM 2353 O LYS A 408 62 .419 116, .230 17, .935 1. .00 20. .13 8

ATOM 2354 N ALA A 409 60 .906 115, .280 19, .313 1. .00 19. .23 7

ATOM 2355 CA ALA A 409 59 .743 115, .807 18, .594 1. .00 20. .84 6

ATOM 2356 CB ALA A 409 58, .452 115, .247 19, .186 1. .00 18. .87 6

ATOM 2357 C ALA A 409 59, .743 117, .332 18. .621 1. .00 20. .24 6

ATOM 2358 O ALA A 409 59, .399 117, .953 17. .618 1. .00 19. .16 8

ATOM 2359 N ILE A 410 60, .090 117, .929 19. .761 1. .00 20. .47 7

ATOM 2360 CA ILE A 410 60, .207 119, .388 19. .826 1. .00 21. .88 6

ATOM 2361 CB ILE A 410 60, .592 119, .842 21. .245 1. .00 21. .15 6

ATOM 2362 CGI ILE A 410 59, .462 119, .489 22. .213 1. .00 22. .83 6

ATOM 2363 GDI ILE A 410 59, .779 119. .768 23. .667 1. .00 22. .08 6

ATOM 2364 CG2 ILE A 410 60, .948 121. .321 21. .257 1. .00 22. .65 6

ATOM 2365 C ILE A 410 61, .202 119. .874 18. .785 1. .00 22. .02 6

ATOM 2366 O ILE A 410 60 .923 120. .811 18, .023 1. .00 21. .35 8

ATOM 2367 N ASN A 411 62, .377 119, .245 18, .696 1. .00 22. .70 7

ATOM 2368 CA ASN A 411 63, .355 119, .616 17. .684 1. .00 22. .67 6

ATOM 2369 CB ASN A 411 64, .638 118, .794 17. .876 1. .00 24. .97 6

ATOM 2370 CG ASN A 411 65, .467 119, .251 19, .054 1. .00 34. .07 6

ATOM 2371 ODl ASN A 411 65, .438 120, .421 19, .438 1. .00 36. .53 8

ATOM 2372 ND2 ASN A 411 66, .233 118, .325 19. .625 1. .00 34. .23 7

ATOM 2373 C ASN A 411 62, .873 119, .451 16. .253 1. .00 20. .24 6

ATOM 2374 O ASN A 411 63, .131 120, .297 15. .391 1. .00 21. .75 8

ATOM 2375 N ASP A 412 62, .159 118. .375 15. .935 1. .00 18. .71 7

ATOM 2376 CA ASP A 412 61, .690 118. .101 14. .594 1. .00 17. .63 6

ATOM 2377 CB ASP A 412 61, .346 116. .611 14. .466 1. .00 18. .39 6

ATOM 2378 CG ASP A 412 62, .527 115. .666 14. .529 1. .00 26. .29 6

ATOM 2379 ODl ASP A 412 63. .664 116. .060 14. .187 1. ,00 23. ,86 8

ATOM 2380 OD2 ASP A 412 62, .335 114, .491 14. .911 1. .00 22. .04 8

ATOM 2381 C ASP A 412 60, .467 118, .928 14. .190 1. .00 16. .26 6

ATOM 2382 O ASP A 412 60, .322 119. .237 12. .998 1. .00 18. .52 8

ATOM 2383 N VAL A 413 59, .605 119. .254 15. .141 1. .00 15. .85 7 ATOM 2384 CA VAL A 413 58.,380 119..989 14..865 1.,00 16..00 6

ATOM 2385 CB VAL A 413 57. .316 119. .656 15. .932 1. ,00 16. .47 6

ATOM 2386 CGI VAL A 413 56. .094 120. .553 15. .812 1. .00 16. .91 6

ATOM 2387 CG2 VAL A 413 56. .870 118. .200 15. .728 1. .00 17. .24 6

ATOM 2388 C VAL A 413 58. .581 121. .495 14. .787 1. .00 18. .43 6

ATOM 2389 O VAL A 413 58. .009 122. .149 13. .918 1. .00 19. .73 8

ATOM 2390 N ALA A 414 59. .539 122. .008 15. .566 1. .00 20. .08 7

ATOM 2391 CA ALA A 414 59. .721 123. .464 15. .622 1. .00 20. .40 6

ATOM 2392 CB ALA A 414 60. .818 123. .834 16. .608 1. .00 21. .23 6

ATOM 2393 C ALA A 414 59. .931 124. .127 14. .280 1. .00 21, .31 6

ATOM 2394 O ALA A 414 59. .294 125. .172 14, .029 1. .00 20, .84 8

ATOM 2395 N PRO A 415 60. .729 123. .582 13. .374 1. .00 20. .43 7

ATOM 2396 CA PRO A 415 61. .011 124. .184 12. .082 1. .00 21. .62 6

ATOM 2397 CB PRO A 415 61. .981 123. .216 11. .409 1. .00 23. .97 6

ATOM 2398 CG PRO A 415 62. .643 122. .506 12. .528 1. .00 24, .13 6

ATOM 2399 CD PRO A 415 61. .624 122. .416 13, .621 1. .00 22. .79 6

ATOM 2400 C PRO A 415 59. .798 124. .412 11, .210 1, .00 20, .99 6

ATOM 2401 O PRO A 415 59. .692 125. .416 10. .484 1. .00 20. .35 8

ATOM 2402 N PHE A 416 58. .736 123. .613 11. .371 1. .00 19. .50 7

ATOM 2403 CA PHE A 416 57. .504 123. .765 10, .622 1. .00 19. .33 6

ATOM 2404 CB PHE A 416 56. .585 122. .547 10, .852 1. .00 19. .51 6

ATOM 2405 CG PHE A 416 57. .122 121, .321 10, .158 1. .00 16, .10 6

ATOM 2406 CDI PHE A 416 56. .679 120, .960 8, .908 1. .00 17, .88 6

ATOM 2407 CEl PHE A 416 57. .163 119. .838 8. .261 1. .00 21. .81 6

ATOM 2408 CZ PHE A 416 58. .109 119. .048 8. .888 1. .00 18. .99 6

ATOM 2409 CE2 PHE A 416 58. .559 119. .399 10, .150 1. .00 16, .35 6

ATOM 2410 CD2 PHE A 416 58. .071 120. .523 10, .791 1. .00 19, .89 6

ATOM 2411 C PHE A 416 56, .755 125, .050 10, .973 1. .00 18, .99 6

ATOM 2412 O PHE A 416 55, .918 125. .489 10, .173 1. .00 21, .44 8

ATOM 2413 N PHE A 417 57. .007 125. .638 12, .123 1. .00 18. .30 7

ATOM 2414 CA PHE A 417 56. .413 126. .893 12. .556 1. .00 19, .51 6

ATOM 2415 CB PHE A 417 55. .865 126. .772 13, .979 1. .00 20, .50 6

ATOM 2416 CG PHE A 417 54. .764 125. .742 14, .091 1. .00 18, .69 6

ATOM 2417 CDI PHE A 417 53, .471 126, .108 13, .750 1. .00 15, .89 6

ATOM 2418 CEl PHE A 417 52, .420 125, .206 13, .828 1. .00 15, .29 6

ATOM 2419 CZ PHE A 417 52. .679 123. .908 14, .248 1. .00 17, .34 6

ATOM 2420 CE2 PHE A 417 53. .965 123. .543 14, .590 1. .00 17, .95 6

ATOM 2421 CD2 PHE A 417 55, .008 124. .449 14, .515 1. .00 18, .90 6

ATOM 2422 C PHE A 417 57, .419 128, .046 12, .490 1. .00 20, .92 6

ATOM 2423 O PHE A 417 57, .152 129, .133 13, .026 1. .00 22, .71 8

ATOM 2424 N ASN A 418 58, .635 127, .745 12, .037 1, .00 21, .58 7

ATOM 2425 CA ASN A 418 59. .694 128. .765 12, .030 1, .00 24, .69 6

ATOM 2426 CB ASN A 418 59. .294 129. .868 11, .045 1. .00 23, .88 6

ATOM 2427 CG ASN A 418 60, .384 130. .889 10, .790 1, .00 33, .72 6

ATOM 2428 ODl ASN A 418 61, .574 130, .614 10, .965 1, .00 32, .93 8

ATOM 2429 ND2 ASN A 418 59, .963 132, .080 10 .364 1, .00 34, .29 7

ATOM 2430 C ASN A 418 59, .932 129, .315 13 .419 1, .00 25, .57 6

ATOM 2431 0 ASN A 418 59. .970 130. .536 13, .648 1. .00 27, .82 8

ATOM 2432 N VAL A 419 60. .029 128. .449 14, .423 1. .00 24, .92 7

ATOM 2433 CA VAL A 419 60, .303 128, .858 15, .795 1. .00 24, .21 6

ATOM 2434 CB VAL A 419 59, .132 128, .759 16, .768 1, .00 26, .17 6

ATOM 2435 CGI VAL A 419 57, .946 129, .618 16, .341 1, .00 26, .86 6

ATOM 2436 CG2 VAL A 419 58, .687 127, .306 16, .965 1, .00 23, .35 6

ATOM 2437 C VAL A 419 61. .459 127. .989 16. .301 1. .00 25. .41 6

ATOM 2438 O VAL A 419 61. .683 126. .924 15, .722 1. .00 23. .55 8

ATOM 2439 N SER A 420 62. .156 128. .466 17, .326 1. .00 26. .66 7

ATOM 2440 CA SER A 420 63. .267 127. .646 17, .835 1. .00 28, .68 6 ATOM 2441 CB SER A 420 64..184 128..523 18..694 1.00 25..93 6

ATOM 2442 OG SER A 420 63. 521 128. ,930 19. 875 1. 00 33. .03 8

ATOM 2443 C SER A 420 62. .700 126. .511 18. .668 1. 00 26. .87 6

ATOM 2444 O SER A 420 61. .615 126. .655 19. ,229 1. 00 27. .28 8

ATOM 2445 N PRO A 421 63. .491 125. .473 18. .913 1. ,00 27. .71 7

ATOM 2446 CA PRO A 421 63. .096 124. .381 19. .791 1. ,00 28. .95 6

ATOM 2447 CB PRO A 421 64. .269 123. .418 19. ,749 1. 00 29. .78 6

ATOM 2448 CG PRO A 421 64. .975 123. .726 18. .472 1. ,00 29. .37 6

ATOM 2449 CD PRO A 421 64. .815 125. .222 18. .297 1. .00 29. .73 6

ATOM 2450 C PRO A 421 62. .781 124. .909 21. .176 1. .00 28. .87 6

ATOM 2451 O PRO A 421 61. .797 124. .542 21. .812 1. .00 26. .84 8

ATOM 2452 N GLU A 422 63. .544 125. .909 21. .639 1. .00 29. .24 7

ATOM 2453 CA GLU A 422 63. .277 126. .616 22. .878 1. .00 29. . 96 6

ATOM 2454 CB GLU A 422 64. .353 127. .699 23. .075 1. ,00 33. .37 6

ATOM 2455 CG GLU A 422 65. .749 127, .112 23. .239 1. .00 37. .31 6

ATOM 2456 CD GLU A 422 66. .347 126. .711 21. .852 0. .00 56. .10 6

ATOM 2457 OEl GLU A 422 66. ,,306 126. .637 20. .983 1. .00 41. .59 8

ATOM 2458 OE2 GLU A 422 67. .510 126. .256 21. .838 0. .00 50. .53 8

ATOM 2459 C GLU A 422 61, .898 127, .251 22. .942 1. .00 28. .47 6

ATOM 2460 O GLU A 422 61, .199 127, .110 23. .951 1. .00 29. .47 8

ATOM 2461 N GLN A 423 61. .484 127. .969 21. .903 1. .00 28. .08 7

ATOM 2462 CA GLN A 423 60, .175 128, .608 21. .857 1. .00 28. .61 6

ATOM 2463 CB GLN A 423 60, .032 129, .494 20. .619 1. .00 29. .77 6

ATOM 2464 CG GLN A 423 60, .757 130, .831 20. .680 1. .00 33. .91 6

ATOM 2465 CD GLN A 423 60, .871 131 .439 19. .295 1. .00 34, .37 6

ATOM 2466 OEl GLN A 423 61, .537 130, .893 18. .416 1. .00 33. .99 8

ATOM 2467 NE2 GLN A 423 60, .221 132, .578 19. .076 1. .00 40. .49 7

ATOM 2468 C GLN A 423 59, .025 127, .599 21. .845 1. .00 28, .80 6

ATOM 2469 O GLN A 423 57 .981 127 .841 22. .451 1. .00 29, .50 8

ATOM 2470 N LEU A 424 59, .225 126, .484 21. .135 1. .00 28. .53 7

ATOM 2471 CA LEU A 424 58, .184 125, .451 21. .126 1. .00 25. .91 6

ATOM 2472 CB LEU A 424 58 .455 124, .423 20. .029 1. .00 22. .48 6

ATOM 2473 CG LEU A 424 57 .466 123 .254 19. .956 1. .00 23. .75 6

ATOM 2474 CDI LEU A 424 56 .038 123 .763 19, .811 1. .00 24, .53 6

ATOM 2475 CD2 LEU A 424 57, .843 122, .336 18. .803 1. .00 20. .03 6

ATOM 2476 C LEU A 424 58 .069 124 .805 22. .499 1. .00 23, .49 6

ATOM 2477 O LEU A 424 56 .980 124 .660 23, .044 1. .00 26, .08 8

ATOM 2478 N ALA A 425 59 .211 124 .509 23, .129 1. .00 24, .90 7

ATOM 2479 CA ALA A 425 59 .234 123 .935 24, .472 1. .00 26 .33 6

ATOM 2480 CB ALA A 425 60 .668 123 .663 24. .911 1. .00 26, .88 6

ATOM 2481 C ALA A 425 58 .525 124 .823 25, .484 1. .00 27, .64 6

ATOM 2482 O ALA A 425 57 .700 124 .357 26, .271 1. .00 28, .94 8

ATOM 2483 N ASN A 426 58 .695 126 .144 25, .374 1. .00 29, .73 7

ATOM 2484 CA ASN A 426 58 .018 127 .099 26, .237 1. .00 30, .06 6

ATOM 2485 CB ASN A 426 58 .518 128 .519 25, .935 1. .00 33, .93 6

ATOM 2486 CG ASN A 426 57 .710 129 .521 26, .681 0. .00 49, .33 6

ATOM 2487 ODl ASN A 426 56 .527 129 .292 26, .961 0. .00 57 .06 8

ATOM 2488 ND2 ASN A 426 58 .294 130 .671 26 .998 0, .00 55 .82 7

ATOM 2489 C ASN A 426 56 .503 127 .055 26, .095 1. .00 32, .36 6

ATOM 2490 O ASN A 426 55 .744 127 .162 27, .062 1. .00 33, .38 8

ATOM 2491 N GLU A 427 56 .027 126 .848 24, .868 1, .00 31 .77 7

ATOM 2492 CA GLU A 427 54 .607 126 .767 24, .568 1, .00 30 .92 6

ATOM 2493 CB GLU A 427 54 .401 126 .865 23 .048 1, .00 34 .74 6

ATOM .2494 CG GLU A 427 52 .954 126 .937 22, .614 1. .00 34. .34 6

ATOM 2495 CD GLU A 427 52 .280 128 .236 23, .015 1. .00 37, .63 6

ATOM 2496 OEl GLU A 427 52 .983 129 .269 23, .049 1. .00 36, .25 8

ATOM 2497 OE2 GLU A 427 51 .064 128 .205 23 .291 1, .00 39 .38 8 ATOM 2498 C GLU A 427 53.976 125.481 25.082 1.00 30.83

ATOM 2499 O GLU A 427 52. .768 125, .454 25. .349 1. .00 32. .74 8

ATOM 2500 N ILE A 428 54. .755 124. .412 25. .215 1. .00 29. .67 7

ATOM 2501 CA ILE A 428 54. .193 123, .151 25. .697 1. .00 29. .73 6

ATOM 2502 CB ILE A 428 55. .119 121. .973 25. .372 1. .00 29. .00 6

ATOM 2503 CGI ILE A 428 55. .034 121, .731 23. .850 1. .00 27. .15 6

ATOM 2504 CDI ILE A 428 56. .302 121. .188 23. .255 1. .00 25. .33 6

ATOM 2505 CG2 ILE A 428 54. .734 120, .703 26. .112 1. .00 28, .16 6

ATOM 2506 C ILE A 428 53. .833 123. .253 27. .177 1. .00 32. .27 6

ATOM 2507 O ILE A 428 52. .634 122, .976 27. .456 1. .00 34, .16 8

ATOM 2508 MG IUM I 1 45. .499 96. .782 0. .030 1. .00 23. .51 12

ATOM 2509 MG IUM I 2 43. .611 101, .683 0. .705 1. .00 37. .31 12

ATOM 2510 OWO WAT w 1 43, .551 92, .707 -1. .686 1. .00 26, .87 8

ATOM 2511 OWO WAT w 2 54. .320 111, .913 18. .744 1. .00 17. .41 8

ATOM 2512 OWO WAT w 3 50, .453 104, .846 8. .219 1. .00 19, .97 8

ATOM 2513 OWO WAT w 4 56. .834 108, .447 19. .257 1. .00 17. .04 8

ATOM 2514 OWO WAT w 5 50. .875 131, .232 7. .553 1. .00 18, .54 8

ATOM 2515 OWO WAT w 6 60. .302 111, .914 18. .530 1. .00 18. .28 8

ATOM 2516 OWO WAT w 7 60. .308 113, .067 16. .043 1. .00 17. .12 8

ATOM 2517 OWO WAT w 8 52. .056 103. .962 4. .932 1. .00 22. .92 8

ATOM 2518 OWO WAT w 9 55. .153 124, .625 7. .699 1. .00 26. .39 8

ATOM 2519 OWO WAT w 10 62. .592 99, .819 14. .643 1. .00 21. .04 8

ATOM 2520 OWO WAT w 11 35. .119 69, .337 -7. .524 1. .00 23, .75 8

ATOM 2521 OWO WAT w 12 54, .350 109, .387 19, .998 1. .00 21, .20 8

ATOM 2522 OWO WAT w 13 61. .009 96, .885 17. .564 1. .00 22. .16 8

ATOM 2523 OWO WAT w 14 37, .905 72, .090 21, .761 1. .00 22, .59 8

ATOM 2524 OWO WAT w 15 44. .313 124, .326 18. .705 1. .00 24. .94 8

ATOM 2525 OWO WAT w 16 65, .923 113, .491 22, .776 1. .00 30, .32 8

ATOM 2526 OWO WAT w 17 43. .734 97, .782 11. .257 1. .00 28. .43 8

ATOM 2527 OWO WAT w 18 43, .793 83, .702 7. .932 1. .00 27. .43 8

ATOM 2528 OWO WAT w 19 55. .312 86. .261 17. .048 1. .00 29. .90 8

ATOM 2529 OWO WAT w 20 38. .165 77, .564 -8, .008 1. .00 27. .20 8

ATOM 2530 OWO WAT w 21 61, .425 111, .817 12, .847 1. .00 22, .50 8

ATOM 2531 OWO WAT w 22 49, .234 106, .025 5. .609 1. .00 24. .05 8

ATOM 2532 OWO WAT w 23 37, .066 67, .946 9, .402 1. .00 25, .29 8

ATOM 2533 OWO WAT w 24 38. .867 73, .440 -12. .768 1. .00 25. .05 8

ATOM 2534 OWO WAT w 25 36, .079, 69, .409 1, .276 1. .00 26, .80 8

ATOM 2535 OWO WAT w 26 42. .187 127, .589 10, .596 1. .00 27. .32 8

ATOM 2536 OWO WAT w 27 45. .742 68, .888 0, .704 1. .00 24, .94 8

ATOM 2537 OWO WAT w 28 42. .015 102. .182 13, .193 1. .00 29. .49 8

ATOM 2538 OWO WAT w 29 42, .934 92, .788 3, .907 1. .00 29, .78 8

ATOM 2539 OWO WAT w 30 48, .855 121, .204 4, .520 1. .00 25, .65 8

ATOM 2540 OWO WAT w 31 63. .445 97, .537 13, .701 1. .00 27. .65 8

ATOM 2541 OWO WAT w 32 62, .676 95, .834 15, .609 1. .00 26, .19 8

ATOM 2542 OWO WAT w 33 30. .560 77. .074 2, .595 1. .00 30. .77 8

ATOM 2543 OWO WAT w 34 37, .855 75, .472 -10, .854 1. .00 28, .05 8

ATOM 2544 OWO WAT w 35 42. .379 72. .552 -6, .447 1. .00 24. .03 8

ATOM 2545 OWO WAT w 36 58, .855 96, .256 14, .107 1. .00 27, .05 8

ATOM 2546 OWO WAT w 37 62. .135 119. .259 10, .993 1. .00 26. .46 8

ATOM 2547 OWO WAT w 38 41. .070 104, .356 16, .991 1. .00 29, .24 8

ATOM 2548 OWO WAT w 39 53. .009 86. .765 12. .974 1. .00 27. .27 8

ATOM 2549 OWO WAT w 40 32. .169 69, .507 18, .138 1. .00 30. . 66 8

ATOM 2550 OWO WAT w 41 54, .368 109, .325 22, .752 1. .00 27. .78 8

ATOM 2551 OWO WAT w 42 63. .103 95. .197 9, .665 1. .00 28. .75 8

ATOM 2552 OWO WAT w 43 43. .640 103, .244 2, .415 1. .00 29. .17 8

ATOM 2553 OWO WAT w 44 43. .464 84. .234 12. .009 1. .00 30. .22 8

ATOM 2554 OWO WAT w 45 48. .730 98. .203 5, .687 1. .00 27. .37 8 ATOM 2555 OWO WAT W 46 39.208 65.737 10.978 1.00 27.78

ATOM 2556 OWO WAT W 47 42.733 76.746 -13.019 1.00 26.69

ATOM 2557 OWO WAT W 48 47.111 81.420 11.454 1.00 28.57

ATOM 2558 OWO WAT W 49 59.608 97.944 11.894 1.00 25.56

ATOM 2559 OWO WAT W 50 31.160 82.723 14.421 1.00 31.55

ATOM 2560 OWO WAT W 51 61.534 100.028 23.407 1.00 29.51

ATOM 2561 OWO WAT W 52 43.976 133.677 19.790 1.00 32.60

ATOM 2562 OWO WAT W 53 41.342 69.017 -13.703 1.00 30.25

ATOM 2563 OWO WAT W 54 31.891 65.504 2.177 1.00 32.38

ATOM 2564 OWO WAT W 55 44.118 73.928 -12.836 1.00 36.52

ATOM 2565 OWO WAT W 56 46.119 84.119 12.607 1.00 35.41

ATOM 2566 OWO WAT W 57 64.263 99.522 0.976 1.00 30.48

ATOM 2567 OWO WAT W 58 58.480 86.882 23.338 1. 00 28.20

ATOM 2568 OWO WAT W 59 42.598 87.641 17.543 1.00 28.20

ATOM 2569 OWO WAT W 60 46.290 120.469 5.931 1.00 38.06 8

ATOM 2570 OWO WAT W 61 61.642 92.582 9.845 1.00 28.26 8

ATOM 2571 OWO WAT w 62 37.383 65.468 2.495 1.00 35.55 8

ATOM 2572 OWO WAT w 63 37.678 89.464 -8.063 1.00 34.84 8

ATOM 2573 OWO WAT w 64 40.922 86.540 25.522 1.00 32.52 8

ATOM 2574 OWO WAT w 65 51.443 84.941 6.995 1.00 29.04 8

ATOM 2575 OWO WAT w 66 35.288 71.465 -3.721 1.00 31.65 8

ATOM 2576 OWO WAT w 67 61.258 117, 393 8.960 1.00 32.39 8

ATOM 2577 OWO WAT w 68 49.122 110.683 26.889 1.00 29.31 8

ATOM 2578 OWO WAT w 69 41.027 124.763 7.670 1.00 40.08 8

ATOM 2579 OWO WAT w 70 34.509 69, 830 -1.462 1.00 31.08 8

ATOM 2580 OWO WAT w 71 46.061 117, 662 20.232 1.00 35.28 8

ATOM 2581 OWO WAT w 72 51.383 120.023 3.622 1.00 29.55 8

ATOM 2582 OWO WAT w 73 47.259 71.251 967 1.00 31.12 8

ATOM 2583 OWO WAT w 74 44.778 81.596 354 1.00 40.22 8

ATOM 2584 OWO WAT w 75 57.311 Ill, 306 21.265 1.00 46.37 8

ATOM 2585 OWO WAT w 76 37.118 95.884 20.197 1.00 35.81 8

ATOM 2586 OWO WAT w 77 35.926 77.772 -11.210 1.00 35.16 8

ATOM 2587 OWO WAT w 78 33.045 62.899 11.381 1.00 32.67 8

ATOM 2588 OWO WAT w 79 52.671 84, 295 19.780 1.00 27.00 8

ATOM 2589 OWO WAT w 80 60.772 103, 966 5.312 1.00 25.41 8

ATOM 2590 OWO WAT w 81 42.430 131, 992 17.666 1.00 31.75 8

ATOM 2591 OWO WAT w 82 57.835 107, 064 6.707 1.00 30.07 8

ATOM 2592 OWO WAT w 83 46.159 86.070 -9.225 1.00 30.54 8

ATOM 2593 OWO WAT w 84 60.920 94, 666 13.532 1.00 29.19 8

ATOM 2594 OWO WAT w 85 54.882 88, 742 1.156 1.00 36.02 8

ATOM 2595 OWO WAT w 86 40.298 107, 032 6.140 1.00 33.78 8

ATOM 2596 OWO WAT w 87 34.268 63.898 9.093 1.00 31.85 8

ATOM 2597 OWO WAT w 88 29.034 78, 916 4.363 1.00 34.85 8

ATOM 2598 OWO WAT w 89 55.669 131, 483 19.244 1.00 35.85 8

ATOM 2599 OWO WAT w 90 48.242 97, 703 -4.595 1.00 36.39 8

ATOM 2600 OWO WAT w 91 38.888 66, 451 4.385 1.00 28.29 8

ATOM 2601 OWO WAT w 92 61.330 92, 235 12.441 1.00 30.49 8

ATOM 2602 OWO WAT w 93 35.308 66, 655 1.412 1.00 31.10 8

ATOM 2603 OWO WAT w 94 41.566 73, 207 11.700 1.00 29.27 8

ATOM 2604 OWO WAT w 95 66.870 100, 791 7.071 1.00 34.31 8

ATOM 2605 OWO WAT w 96 64.340 93, 207 -2.108 1.00 36.19 8

ATOM 2606 OWO WAT w 97 38.332 94, 218 14.176 00 36.58 8

ATOM 2607 OWO WAT w 98 40.529 93, 513 3.978 00 39.44 8

ATOM 2608 OWO WAT w 99 50.752 102, 441 -6.632 00 36.12 8

ATOM 2609 OWO WAT w 100 48.582 71, 644 -2.882 00 40.07 8

ATOM 2610 OWO WAT w 101 44.973 74, 802 -9.731 00 31.03 8

ATOM 2611 OWO WAT w 102 40.191 77, 788 5.339 00 31.34 8 ATOM 2612 OWO WAT W 103 41,.627 125.070 11.810 1.00 35.14 8

ATOM 2613 OWO WAT W 104 66, .421 112 .801 12 .999 1 .00 30 .21 8

ATOM 2614 OWO WAT W 105 42, .231 68 .864 4 .921 1 .00 32 .06 8

ATOM 2615 OWO WAT W 106 39 .725 107 .854 8 .978 1 .00 38 .53 8

ATOM 2616 OWO WAT W 107 44 .472 85 .730 16 .993 1 .00 30 .16 8

ATOM 2617 OWO WAT W 108 34, .369 102, .030 11 .705 1 .00 41 .42 8

ATOM 2618 OWO WAT W 109 34, .739 84, .101 -6 .711 1 .00 35 .82 8

ATOM 2619 OWO WAT W 110 48, .973 99, .426 3 .506 1, .00 31 .32 8

ATOM 2620 OWO WAT W 111 39, .793 62, .094 -1 .958 1, .00 30 .15 8

ATOM 2621 OWO WAT W 112 43, .709 67, .753 2 .559 1, .00 34, .08 8

ATOM 2622 OWO WAT W 113 39, .370 64, .901 3 .057 1, .00 41, .50 8

ATOM 2623 OWO WAT W 114 43, .318 86, .215 13 .865 1, .00 31, .25 8

ATOM 2624 OWO WAT W 115 62, .843 108, .847 27, .736 1, .00 31, .06 8

ATOM 2625 OWO WAT w 116 42, .295 100, .206 11, .156 1, .00 42, .35 8

ATOM 2626 OWO WAT w 117 48, .784 73, .165 -0, .754 1, .00 39, .31 8

ATOM 2627 OWO WAT w 118 41, .922 103, .145 0, .197 1, .00 36, .83 8

ATOM 2628 OWO WAT w 119 36, .978 91, .915 -6, .534 1, .00 35, .39 8

ATOM 2629 OWO WAT w 120 45, .937 97. .247 2, .031 1, .00 30, .47 8

ATOM 2630 OWO WAT w 121 42, .883 97, .400 3, .101 1, .00 30, .18 8

ATOM 2631 OWO WAT w 122 49. .349 72. .552 -5, .230 1. .00 35, .81 8

ATOM 2632 OWO WAT w 123 51. .770 133. .189 5. .639 1. .00 31, .62 8

ATOM 2633 OWO WAT w 124 32, .533 85, .185 -5 .126 1, .00 37, .81 8

ATOM 2634 OWO WAT w 125 59, .440 90, .567 13, .014 1, .00 35, .21 8

ATOM 2635 OWO WAT w 126 45, .165 73, .338 7, .129 1, .00 33, .91 8

ATOM 2636 OWO WAT w 127 61, .855 96, .460 11, .744 1. .00 33, .40 8

ATOM 2637 OWO WAT w 128 42, .987 126, .752 19, .242 1, .00 38, .20 8

ATOM 2638 OWO WAT w 129 47, .398 82, .884 21, .000 1. .00 32, .99 8

ATOM 2639 OWO WAT w 130 24, .249 71, .408 1, .431 1, .00 38, .75 8

ATOM 2640 OWO WAT w 131 40, .274 90, .384 -8, .067 1. .00 41, .11 8

ATOM 2641 OWO WAT w 132 31, .367 68, .291 2, .271 1. .00 34, .30 8

ATOM 2642 OWO WAT w 133 40. .857 105, .457 11, .708 1. .00 36. .84 8

ATOM 2643 OWO WAT w 134 41. .215 89, .251 19, .028 1. .00 36. .25 8

ATOM 2644 OWO WAT w 135 60. .950 109. .032 29. .817 1. .00 33. .17 8

ATOM 2645 OWO WAT w 136 67. .411 101, .612 9. .502 1. .00 36. .93 8

ATOM 2646 OWO WAT w 137 39. .079 71, .833 17. .476 1. .00 32. .97 8

ATOM 2647 OWO WAT w 138 29. .305 84, .019 -0. .616 1. .00 34. .94 8

ATOM 2648 OWO WAT w 139 66. .236 93. .981 5. .537 1. .00 39. .66 8

ATOM 2649 OWO WAT w 140 62. .896 103. .995 3. .266 1. .00 35. .50 8

ATOM 2650 OWO WAT w 141 31. .323 81. .838 10. .268 1. .00 30. .26 8

ATOM 2651 OWO WAT w 142 43. .643 100. .274 3. .982 1. .00 36. .42 8

ATOM 2652 OWO WAT w 143 30. .881 90. .943 5. .590 1. .00 38. .53 8

ATOM 2653 OWO WAT w 144 65. .466 121. .754 14. .958 1. .00 36. .44 8

ATOM 2654 OWO WAT w 145 58. .753 105, .658 4. .623 1. .00 33. .14 8

ATOM 2655 OWO WAT w 146 44. .769 84. .843 25. .285 1. .00 35. .30 8

ATOM 2656 OWO WAT w 147 53. .697 83. .411 7. .367 1. .00 37. .53 8

ATOM 2657 OWO WAT w 148 36. .716 67. .403 3. .518 1. .00 40. .84 8

ATOM 2658 OWO WAT w 149 33. .260 80. .779 -10. .624 1. .00 38. .28 8

ATOM 2659 OWO WAT w 150 57. .288 125. .079 6. .200 1. .00 35. .70 8

ATOM 2660 OWO WAT w 151 60. .429 88. .364 14. .400 1. .00 34. .54 8

ATOM 2661 OWO WAT w 152 56. .968 132. .540 9. .992 1. .00 41. .16 8

ATOM 2662 OWO WAT w 153 39. .701 70. .781 20. .024 1. .00 33. .59 8

ATOM 2663 OWO WAT w 154 25. .955 73. .448 0. .827 1. .00 44. .36 8

ATOM 2664 OWO WAT w 155 56. .072 128. .537 9. .120 1. .00 40. .79 8

ATOM 2665 OWO WAT w 156 44. .301 114. .155 21. ,511 1. .00 39. .45 8

ATOM 2666 OWO WAT w 157 44. .868 122. .815 21. .021 1. .00 32. .99 8

ATOM 2667 OWO WAT w 158 64. .814 90. .521 4. ,597 1. .00 42. ,89 8

ATOM 2668 OWO WAT w 159 62. ,882 109. .950 9. ,061 1. 00 35. .35 8 ATOM 2669 OWO WAT W 160 36..920 64..243 -3..242 1..00 37..23 8

ATOM 2670 OWO WAT W 161 44. .634 119. .990 21. .072 1. .00 33. .70 8

ATOM 2671 OWO WAT W 162 57. .253 130. .541 23. .060 1. .00 39. .99 8

ATOM 2672 OWO WAT W 163 35. .956 87. .629 18. .583 1. ,00 37. .17 8

ATOM 2673 OWO WAT W 164 54. .586 92. .707 27, .861 1. .00 38. ,15 8

ATOM 2674 OWO WAT W 165 53. .182 93. .981 30. .316 1. .00 39. .10 8

ATOM 2675 OWO WAT W 166 30. .135 90. .582 11. .115 1. .00 36. .73 8

ATOM 2676 OWO WAT W 167 49. .197 116. .937 28. .525 1. .00 39. .64 8

ATOM 2677 OWO WAT W 168 61. .655 87. .749 10. .707 1. ,00 44. .02 8

ATOM 2678 OWO WAT W 169 41. .329 93. .120 7. .932 1. .00 40. .04 8

ATOM 2679 OWO WAT W 170 33. .391 61. .308 1. .045 1. .00 34. .35 8

ATOM 2680 OWO WAT W 171 44. .053 95. .157 3. .333 1. .00 31. .02 8

ATOM 2681 OWO WAT W 172 52. .804 108. .813 24. .781 1. .00 34. .26 8

ATOM 2682 OWO WAT W 173 57. .150 94, .703 25. .679 1. .00 34. .79 8

ATOM 2683 OWO WAT W 174 57. .484 87, .556 0. .425 1. .00 32. .36 8

ATOM 2684 OWO WAT W 175 64. .529 101. .782 2, .514 1. .00 34. .76 8

ATOM 2685 OWO WAT w 176 34. .524 69. .247 23. .641 1. .00 37. .28 8

ATOM 2686 OWO WAT w 177 54. .057 85, .744 24, .235 1. .00 34, .83 8

ATOM 2687 OWO WAT w 178 56. .279 89, .783 -7, .910 1. .00 44. .35 8

ATOM 2688 OWO WAT w 179 26. .136 65, .019 1, .545 1. .00 51. .78 8

ATOM 2689 OWO WAT w 180 48. .610 121, .221 26. .381 1. .00 44. .11 8

ATOM 2690 OWO WAT w 181 67. .046 102, .517 2, .787 1. .00 35, .52 8

ATOM 2691 OWO WAT w 182 35. .775 64, .287 0, .999 1. .00 38, .52 8

ATOM 2692 OWO WAT w 183 54, .614 84, .539 13, .838 1. .00 33. .92 8

ATOM 2693 OWO WAT w 184 42. .596 76, .915 15, .677 1. .00 34. .94 8

ATOM 2694 OWO WAT w 185 53. .953 113, .958 4. .411 1. .00 45, .67 8

ATOM 2695 OWO WAT w 186 46, .469 78, .489 16, .132 1. .00 43, .89 8

ATOM 2696 OWO WAT w 187 41, .119 70, .745 15, .753 1. .00 33, .20 8

ATOM 2697 OW₍0 WAT w 188 39, .927 88, .766 23, .959 1. .00 44, .92 8

ATOM 2698 OWO WAT w 189 60. .911 88, .344 17, .194 1. .00 38. .76 8

ATOM 2699 OWO WAT w 190 67, .778 95, .850 1 .683 1. .00 48, .18 8

ATOM 2700 OWO WAT w 191 41, .961 123, .080 13, .430 1. .00 47, .70 8

ATOM 2701 OWO WAT w 192 17, .654 82, .976 5, .710 1. .00 56, .94 8

ATOM 2702 OWO WAT w 193 35, .988 84, .232 20, .915 1. .00 40, .36 8

ATOM 2703 OWO WAT w 194 50, .803 110 .485 4 .312 1, .00 38, .53 8

ATOM 2704 OWO WAT w 195 41, .703 112, .086 10 .249 1. .00 37, .05 8

ATOM 2705 OWO WAT w 196 55, .532 108, .210 -3 .205 1. .00 35, .08 8

ATOM 2706 OWO WAT w 197 44, .238 117, .764 13, .749 1. .00 41, .40 8

ATOM 2707 OWO WAT w 198 41 .147 97 .792 9 .304 1, .00 40, .12 8

ATOM 2708 OWO WAT w 199 53, .425 81 .043 -5 .702 1, .00 43, .81 8

ATOM 2709 OWO WAT w 200 23, .882 76, .602 -0 .388 1, .00 46, .69 8

ATOM 2710 OWO WAT w 201 41, .072 110, .715 16 .717 1. .00 39, .46 8

ATOM 2711 OWO WAT w 202 64 .866 113 .641 28 .083 1, .00 42 .93 8

ATOM 2712 OWO WAT w 203 32, .188 75 .828 -6 .478 1, .00 41, .22 8

ATOM 2713 OWO WAT w 204 56, .326 80 .346 1 .346 1, .00 43, .58 8

ATOM 2714 OWO WAT w 205 28, .243 60 .192 10 .362 1, .00 34, .40 8

ATOM 2715 OWO WAT w 206 55, .417 76 .064 -1 .234 1, .00 42, .43 8

ATOM 2716 OWO WAT w 207 45, .056 95 .774 -1 .842 1, .00 34 .00 8

ATOM 2717 OWO WAT w 208 49, .738 125 .215 24 .125 1, .00 41, .87 8

ATOM 2718 OWO WAT w 209 64, .806 95 .159 17 .118 1, .00 39, .12 8

ATOM 2719 OWO WAT w 210 54, .777 130 .211 21 .686 1, .00 40, .62 8

ATOM 2720 OWO WAT w 211 40 .168 105 .648 14 .782 1, .00 39 .80 8

ATOM 2721 OWO WAT w 212 31, .687 60 .391 9 .554 1, .00 40, .81 8

ATOM 2722 OWO WAT w 213 56, .446 133 .132 15 .475 1, .00 44, .28 8

ATOM 2723 OWO WAT w 214 33, .126 70, .771 -5, .101 1, .00 41, .37 8

ATOM 2724 OWO WAT w 215 65 .491 93 .980 10 .627 1, .00 40, .93 8

ATOM 2725 OWO WAT w 216 38, .353 87 .728 19 .443 1, .00 41, .58 8 ATOM 2726 OWO WAT W 217 61.,606 101.,994 -0..793 1..00 41..32 8

ATOM 2727 OWO WAT W 218 47. ,588 99. .351 -2. .776 1. .00 36. .83 8

ATOM 2728 OWO WAT W 219 45. ,587 98. .808 -0. .743 1. .00 30. .12 8

ATOM 2729 OWO WAT W 220 59. ,876 85. .986 18. .406 1. .00 45. .44 8

ATOM 2730 OWO WAT W 221 43. .080 131. .368 22. .862 1. .00 42. .99 8

ATOM 2731 OWO WAT W 222 63. .399 125. .883 14. .188 1. .00 43. .40 8

ATOM 2732 OWO WAT W 223 44. .633 112. .707 26. .896 1. .00 46. .50 8

ATOM 2733 OWO WAT W 224 42. .922 90. .385 -7. .555 1. ,00 45. .42 8

ATOM 2734 OWO WAT W 225 63. .237 88. .528 15. .218 1. .00 43. .98 8

ATOM 2735 OWO WAT W 226 45. .255 94. .760 0. .787 1. .00 34. .62 8

ATOM 2736 OWO WAT W 227 49. .893 106. .687 -6. .552 1. .00 42. .16 8

ATOM 2737 OWO WAT W 228 61. .896 134. .550 10. .183 1. .00 42. .92 8

ATOM 2738 OWO WAT W 229 43. .492 116. .463 17. .614 1. .00 47. .62 8

ATOM 2739 OWO WAT W 230 42. .751 90. .159 23. .861 1. .00 44. .39 8

ATOM 2740 OWO WAT W 231 39. .322 86. .906 21. .880 1. .00 42. .52 8

ATOM 2741 OWO WAT W 232 41. .689 90. .936 21. .157 1. .00 46, .43 8

ATOM 2742 OWO WAT W 233 34. .945 93. .951 1. .057 1. .00 41. .73 8

ATOM 2743 OWO WAT w 234 49. .752 108. .506 2. .622 1. .00 39. .04 8

ATOM 2744 OWO WAT w 235 43. .044 118. .690 11. .300 1. .00 50. .36 8

ATOM 2745 OWO WAT w 236 52. .648 116. .770 3. .108 1. .00 47. .14 8

ATOM 2746 OWO WAT w 237 54. .414 105. .292 -6. .349 1. .00 47. .94 8

ATOM 2747 OWO WAT w 238 42. .540 107. .714 -0. .705 1. .00 42. .10 8

ATOM 2748 OWO WAT w 239 28. .410 86. .668 -1. .913 1. .00 40. .75 8

ATOM 2749 OWO WAT w 240 41. .032 66. .922 12. .827 1. .00 38, .53 8

ATOM 2750 OWO WAT w 241 48, .151 81. .544 19, .032 1. .00 45, .35 8

ATOM 2751 OWO WAT w 242 39. .690 107. .418 17, .354 1. .00 46, .27 8

ATOM 2752 OWO WAT w 243 41, .958 101, .324 2, .124 1. .00 50, .37 8

ATOM 2753 OWO WAT w 244 43. .922 116. .582 9. .677 1. .00 42. .67 8

ATOM 2754 OWO WAT w 245 30. .346 75. .722 0. .372 1. .00 46. . 66 8

ATOM 2755 OWO WAT w 246 46. .347 103. .336 28, .159 1. .00 42. .67 8

ATOM 2756 OWO WAT w 247 44, .792 108. .849 -2. .200 1. .00 40. .66 8

ATOM 2757 OWO WAT w 248 52, .601 83. .670 -13, .870 1. .00 41, .65 8

ATOM 2758 OWO WAT w 249 52, .891 90. .897 28, .412 1. .00 48, .45 8

ATOM 2759 OWO WAT w 250 44, .462 113. .417 24, .479 1. .00 44, .78 8

ATOM 2760 OWO WAT w 251 55, .080 79, .935 4, .442 1. .00 44, .26 8

ATOM 2761 OWO WAT w 252 51 .459 131, .466 23, .702 1. .00 44, .62 8

ATOM 2762 OWO WAT w 253 47 .799 74, .793 -9, .515 1. .00 45, .78 8

ATOM 2763 OWO WAT w 254 40, .595 123. .462 10, .171 1. .00 46, .39 8

ATOM 2764 OWO WAT w 255 63, .587 90. .718 13, .697 1. .00 45, .00 8

ATOM 2765 OWO WAT w 256 41, .834 93. .021 23, .708 1. .00 49, .09 8

ATOM 2766 OWO WAT w 257 64, .544 119, .617 22, .482 1. .00 47, .62 8

ATOM 2767 OWO WAT w 258 44, .904 88, .647 24, .214 1. .00 46, .33 8

ATOM 2768 OWO WAT w 259 28 .594 75, .665 5, .518 1. .00 46, .52 8

ATOM 2769 OWO WAT w 260 48, .514 88, .107 -9, .951 1. .00 49, .13 8

ATOM 2770 OWO WAT w 261 38 .165 94, .260 22, .308 1. .00 42, .37 8

ATOM 2771 OWO WAT w 262 67 .202 115, .828 18 .770 1, .00 45 .33 8

ATOM 2772 OWO WAT w 263 53 .568 75, .063 5 .723 1, .00 48 .20 8

ATOM 2773 OWO WAT w 264 57 .450 106 .651 1 .100 1, .00 46 .51 8

ATOM 2774 OWO WAT w 265 55, .451 82, .143 10, .109 1. .00 42, .09 8

ATOM 2775 OWO WAT w 266 60, .814 107, .149 3, .426 1. .00 48, .17 8

ATOM 2776 OWO WAT w 267 49 .647 89, .996 -4, .287 1. .00 52, .06 8

ATOM 2777 OWO WAT w 268 56 .275 109, .892 6, .670 1, .00 45, .06 8

ATOM 2778 OWO WAT w 269 48 .542 69, .025 2, .612 1, .00 52, .56 8

ATOM 2779 OWO WAT w 270 29 .034 73, .355 6, .103 1, .00 5, .00 8

ATOM 2780 OWO WAT w 271 52 .473 74, .278 8, .137 1, .00 41, .00 8

ATOM 2781 OWO WAT w 272 53 .805 113, .493 22, .376 1, .00 41, .00 8

ATOM 2782 OWO WAT w 273 37 .824 84, .889 -12, .205 1, .00 42, .00 8 ATOM 2783 OWO WAT W 274 42..884 97..346 0..509 1..00 44..00 8

ATOM 2784 OWO WAT W 275 63. .927 121. .797 23. .902 1. .00 44. .00 8

ATOM 2785 OWO WAT W 276 27. .702 78. .430 25. .428 1. .00 44, .00 8

ATOM 2786 OWO WAT W 277 36. .225 82. .121 -13. .731 1. .00 44. .00 8

ATOM 2787 OWO WAT W 278 41. .819 72. .433 -15. .257 1. .00 45. .00 8

ATOM 2788 OWO WAT W 279 32. .230 82, .582 24, .919 1. .00 45, .00 8

ATOM 2789 OWO WAT W 280 45. .814 113. .493 5. .086 1. .00 45. .00 8

ATOM 2790 OWO WAT W 281 56. .735 108. .418 8. .645 1. .00 45, .00 8

ATOM 2791 OWO WAT W 282 14, .650 77, .969 4. .577 1. .00 45, .00 8

ATOM 2792 OWO WAT W 283 55. .670 103. .805 27. .971 1. .00 45. .00 8

ATOM 2793 OWO WAT W 284 56, .469 85. .812 24, .919 1. .00 45. .00 8

ATOM 2794 OWO WAT W 285 38, .623 91, .809 21, .359 1. .00 46, .00 8

ATOM 2795 OWO WAT W 286 55. .670 101. .037 -6. .103 1. .00 46. .00 8

ATOM 2796 OWO WAT W 287 54, .072 82, .582 18, .308 1. .00 46. .00 8

ATOM 2797 OWO WAT W 288 31, .697 69, .664 -3 .051 1. .00 46, .00 8

ATOM 2798 OWO WAT W 289 43, .684 129. .179 18, .817 1. .00 46. .00 8

ATOM 2799 OWO WAT w 290 46, .347 77, .507 10, .171 1. .00 46. .00 8

ATOM 2800 OWO WAT w 291 33 .828 66, .896 -12, .205 1. .00 46, .00 8

ATOM 2801 OWO WAT w 292 49, .011 117, .184 3, .051 1. .00 46. .00 8

ATOM 2802 OWO WAT w 293 53, .273 113, .493 29, .496 1. .00 47. .00 8

ATOM 2803 OWO WAT w 294 54, .338 76, .585 -4, .068 1. .00 47. .00 8

ATOM 2804 OWO WAT w 295 51, .142 112. .570 2, .543 1. .00 47. .00 8

ATOM 2805 OWO WAT w 296 45, .015 77, .046 21, .359 1. .00 47. .00 8

ATOM 2806 OWO WAT w 297 52 .473 89, .041 -6. .103 1, .00 47. .00 8

ATOM 2807 OWO WAT w 298 31, .164 93. .655 16, .274 1. .00 47. .00 8

ATOM 2808 OWO WAT w 299 34, .894 76, .123 -9, .663 1. .00 47. .00 8

Table 3

ORIGXl 1.000000 C (.000000 O.OOOOOC 1 0.00000

ORIGX2 0.000000 1.000000 0. 0000C I 0.00000

ORIGX3 0.000000 C (.000000 1.00000C 1 0.00000

CRYST1 38. 411 56. .236 140.552 90.0C 1 90.00 90.00

SCALE1 0.026034 C (.000000 O.OOOOOC 1 0.00000

SCALE2 0.000000 C (.017782 O.OOOOOC 1 0.00000

SCALE3 0.000000 C (.000000 0.00711Ξ 0.00000

X Y z OCC B-Factor

ATOM 1 N THR A 115 -1.792 10.278 11.679 1. .00 43, .75 N

ATOM 2 CA THR A 115 -1.978 10.874 13.028 1. .00 40, .49 C

ATOM 3 C THR A 115 -0.737 10.668 13.896 1. .00 40, .39 C

ATOM 4 O THR A 115 0.141 9.882 13.546 1. .00 36, .36 O

ATOM 5 CB THR A 115 -3.163 10.264 13.789 1. .00 42, .75 C

ATOM 6 OGl THR A 115 -2.746 9.021 14.364 1. .00 42, .55 O

ATOM 7 CG2 THR A 115 -4.357 10.030 12.870 1. .00 46, .87 C

ATOM 8 N LEU A 116 -0.749 11.318 15.068 1. .00 37, .88 N

ATOM 9 CA LEU A 116 0.414 11.236 15.950 1. .00 36, .50 C

ATOM 10 C LEU A 116 0.533 9.863 16.599 1. .00 32. .83 C

ATOM 11 O LEU A 116 1.646 9.396 16.815 1. .00 30, .37 O

ATOM 12 CB LEU A 116 0.398 12.328 17.002 1. .00 42, .20 C

ATOM 13 CG LEU A 116 1.722 12.633 17.710 1. .00 44, .53 c

ATOM 14 CDI LEU A 116 2.928 12.561 16.791 1. .00 38, .54 c

ATOM 15 CD2 LEU A 116 1.631 14.043 18.282 1. .00 41, .72 c

ATOM 16 N TYR A 117 -0.598 9.183 16.770 1. .00 32, .39 N

ATOM 17 CA TYR A 117 -0.607 7.807 17.238 1. .00 31, .23 C

ATOM 18 C TYR A 117 0.071 6.904 16.205 1. .00 32, .18 C

ATOM 19 O TYR A 117 0.889 6.051 16.560 1. .00 29, .32 O

ATOM 20 CB TYR A 117 -2.025 7.276 17.474 1. .00 31, .81 C

ATOM 21 CG TYR A 117 -2.696 7.780 18.735 1. .00 35, .62 c

ATOM 22 GDI TYR A 117 -3.775 8.650 18.674 1. .00 37, .79 c

ATOM 23 CD2 TYR A 117 -2.258 7.382 19.989 1. .00 32, .64 c

ATOM 24 CEl TYR A 117 -4.393 9.113 19.824 1. .00 38, .21 c

ATOM 25 CE2 TYR A 117 -2.860 7.835 21.149 1. .00 34, .53 c

ATOM 26 CZ TYR A 117 -3.931 8.701 21.057 1. .00 37, .20 c

ATOM 27 OH TYR A 117 -4.537 9.163 22.202 1. .00 36, .63 0

ATOM 28 N GLN A 118 -0.275 7.069 14.917 1. .00 30. .02 N

ATOM 29 CA GLN A 118 0.313 6.162 13.929 1. .00 31. .48 C

ATOM 30 C GLN A 118 1.816 6.400 13.832 1. .00 30. .65 C

ATOM 31 O GLN A 118 2.614 5.477 13.746 1. .00 30. .41 o

ATOM 32 CB GLN A 118 -0.376 6.325 12.573 1. .00 38. .56 c

ATOM 33 CG GLN A 118 -1.841 5.911 12.615 1. .00 42, .43 c

ATOM 34 CD GLN A 118 -2.591 6.315 11.358 1. .00 46, .98 c

ATOM 35 OEl GLN A 118 -2.483 7.447 10.888 1. .00 46, .48 o

ATOM 36 NE2 GLN A 118 -3.353 5.376 10.811 1. .00 42, .86 N

ATOM 37 N LEU A 119 2.195 7.670 13.855 1. .00 28, .73 N

ATOM 38 CA LEU A 119 3.583 8.072 13.751 1. .00 31, .67 c

ATOM 39 C LEU A 119 4.393 7.512 14.924 1. .00 30, .09 C

ATOM 40 O LEU A 119 5.371 6.820 14.671 1. .00 25. .59 O

ATOM 41 CB LEU A 119 3.714 9.587 13.630 1. .00 33. .19 C

ATOM 42 CG LEU A 119 3.351 10.193 12.266 1. .00 41. .62 C

ATOM 43 CDI LEU A 119 3.500 11.709 12.296 1. .00 33. .10 C

ATOM 44 CD2 LEU A 119 4.213 9.640 11.130 1. .00 41. .33 C

ATOM 45 N MET A 120 3.895 7.656 16.144 1. .00 28. .15 N

ATOM 46 CA MET A 120 4.651 7.188 17.315 1. .00 29. .42 C ATOM 47 C MET A 120 4.,730 5.670 17.,350 1.00 29..64 C

ATOM 48 O MET A 120 5. ,754 5. ,083 17. .719 1. ,00 27. .18 O

ATOM 49 CB MET A 120 4. ,061 7. .788 18. .594 1. .00 27. .88 c

ATOM 50 CG MET A 120 4. .205 9. .307 18. .636 1. .00 26. .47 c

ATOM 51 SD MET A 120 5. .884 9. .935 18. .594 1. .00 27. .92 s

ATOM 52 CE MET A 120 6. .311 10. .091 20. .339 1. .00 28. .42 c

ATOM 53 N ASP A 121 3. .651 5. .002 16. .933 1. .00 26. .14 N

ATOM 54 CA ASP A 121 3. .693 3. .551 16. .804 1. .00 26. .73 c

ATOM 55 C ASP A 121 4. .739 3. .115 15. .770 1. .00 25. .58 c

ATOM 56 O ASP A 121 5. .431 2. .119 15. .983 1. .00 24. .47 o

ATOM 57 CB' ASP A 121 2. .316 3. .005 16. .415 1. .00 30. .93 c

ATOM 58 CG ASP A 121 2. .377 1. .488 16. .265 1. .00 37. .68 c

ATOM 59 ODl ASP A 121 2, .224 1. .035 15. .113 1. .00 39, .48 0

ATOM 60 OD2 ASP A 121 2, .586 0. .774 17. .275 1. .00 37, .34 0

ATOM 61 N GLY A 122 4. .784 3. .746 14. .604 1. .00 26. .61 N

ATOM 62 CA GLY A 122 5. .754 3. .441 13. .563 1. .00 25. .03 C

ATOM 63 C GLY A 122 7. .192 3. .625 14. .027 1. .00 25. .22 c

ATOM 64 O GLY A 122 8. .073 2. .806 13. .699 1. .00 25. .33 0

ATOM 65 N LEU A 123 7, .470 4. .726 14. .736 1. .00 24. .28 N

ATOM 66 CA LEU A 123 8, .832 4. .944 15. .261 1. .00 22, .82 C

ATOM 67 C LEU A 123 9, .166 3. .836 16. .243 1. .00 20, .08 C

ATOM 68 O LEU A 123 10. .266 3. .290 16. .210 1. .00 22. .61 O

ATOM 69 CB LEU A 123 8. .918 6. .285 16. .012 1. .00 24. .13 C

ATOM 70 CG LEU A 123 9. .347 7. .523 15. .225 1. .00 29. .34 C

ATOM 71 CDI LEU A 123 8, .293 7. .898 14. .191 1. .00 31, .26 C

ATOM 72 CD2 LEU A 123 9, .615 8. .694 16. .168 1. .00 33, .90 c

ATOM 73 N ASN A 124 8, .184 3. .470 17, .095 1. .00 19, .33 N

ATOM 74 CA ASN A 124 8, .461 2, .382 18, .052 1. .00 18, .94 C

ATOM 75 C ASN A 124 8. .893 1. .100 17. .374 1. .00 20. .16 c

ATOM 76 O ASN A 124 9, .823 0. .389 17. .804 1. .00 18. .62 0

ATOM 77 CB ASN A 124 7, .241 2. .127 18. .958 1. .00 19, .39 c

ATOM 78 CG ASN A 124 7, .536 1. .042 19, .979 1. .00 26, .31 c

ATOM 79 ODl ASN A 124 6, .900 -0, .019 19, .977 1. .00 33, .21 0

ATOM 80 ND2 ASN A 124 8, .505 1, .277 20. .860 1. .00 18, .57 N

ATOM 81 N THR A 125 8 .188 0, .711 16, .303 1. .00 19, .79 N

ATOM 82 CA THR A 125 8, .593 -0, .483 15. .539 1. .00 20. .74 c

ATOM 83 C THR A 125 9, .980 -0, .342 14. .940 1. .00 20, .26 c

ATOM 84 O THR A 125 10, .765 -1, .300 15. .029 1. .00 22, .19 0

ATOM 85 CB THR A 125 7, .553 -0, .741 14, .436 1. .00 21, .21 c

ATOM 86 OGl THR A 125 6 .333 -1, .031 15, .141 1. .00 24, .33 o

ATOM 87 CG2 THR A 125 7, .928 -1, .888 13, .511 1. .00 22, .83 c

ATOM 88 N PHE A 126 10 .311 0, .831 14, .411 1, .00 20 .16 N

ATOM 89 CA PHE A 126 11, .661 1, .075 13, .900 1. .00 21, .27 C

ATOM 90 C PHE A 126 12, .702 0, .852 15, .000 1. .00 22, .42 C

ATOM 91 O PHE A 126 13, .701 0, .162 14, .796 1. .00 21, .31 O

ATOM 92 CB PHE A 126 11 .766 2, .510 13, .353 1. .00 26, .28 C

ATOM 93 CG PHE A 126 13 .170 2, .927 12, .990 1, .00 22 .32 c

ATOM 94 CDI PHE A 126 13 .848 2, .320 11 .949 1, .00 27 .51 c

ATOM • 95 CD2 PHE A 126 13 .806 3 .927 13 .702 1, .00 26 .61 c

ATOM 96 CEl PHE A 126 15, .145 2, .689 11, .616 1. .00 27, .37 c

ATOM 97 CE2 PHE A 126 15, .097 4, .306 13, .373 1. .00 27, .69 c

ATOM 98 CZ PHE A 126 15 .771 3, .696 12, .333 1. .00 30, .30 c

ATOM 99 N TYR A 127 12 .469 1, .497 16, .154 1. .00 20, .95 N

ATOM 100 CA TYR A 127 13 .366 1, .273 17, .288 1. .00 23, .18 C

ATOM 101 C TYR A 127 13 .465 -0, .172 17 .729 1. .00 21, .89 C

ATOM 102 0 TYR A 127 14 .590 -0, .621 18, .010 1, .00 19 .99 0

ATOM 103 CB TYR A 127 12, .944 2, .178 18, .460 1. .00 22, .15 C ATOM 104 CG TYR A 127 12..979 3..668 18..199 1..00 18..97 C

ATOM 105 CDI TYR A 127 11, .997 4. .498 18. .721 1. .00 20. .85 C

ATOM 106 CD2 TYR A 127 13, .989 4. .255 17. .444 1. .00 19. .80 C

ATOM 107 CEl TYR A 127 12. .017 5, .872 18. .505 1. .00 23. .54 C

ATOM 108 CE2 TYR A 127 14, .026 5, .624 17, .217 1. .00 21. .94 C

ATOM 109 CZ TYR A 127 13, .036 6, .423 17, .764 1. .00 22. .77 C

ATOM 110 OH TYR A 127 13, .072 7, .770 17, .533 1. .00 22, .67 0

ATOM 111 N GLN A 128 12, .363 -0, .936 17. .837 1. .00 19, .21 N

ATOM 112 CA GLN A 128 12, .469 -2, .328 18, .254 1. .00 19, .08 C

ATOM 113 C GLN A 128 13, .209 -3, .182 17. .229 1. .00 19, .73 C

ATOM 114 O GLN A 128 14, .116 -3, .935 17, .582 1. .00 18, .33 O

ATOM 115 CB GLN A 128 11, .112 -2, .996 18, .555 1. .00 21, .25 C

ATOM 116 CG GLN A 128 10, .383 -2, .416 19, .746 1. .00 24, .34 C

ATOM 117 CD GLN A 128 9, .216 -3, .237 20, .239 1. .00 23, .40 C

ATOM 118 OEl GLN A 128 9 .371 -4, .286 20, .873 1. .00 26, .96 0

ATOM 119 NE2 GLN A 128 8 .017 -2, .772 19. .966 1. .00 22, .11 N

ATOM 120 N GLN A 129 12 .924 -2, .999 15, .942 1. .00 21, .61 N

ATOM 121 CA GLN A 129 13 .661 -3, .739 14, .914 1. .00 25, .56 C

ATOM 122 C GLN A 129 15 .130 -3, .329 14, .847 1. .00 24, .82 C

ATOM 123 O GLN A 129 15 .997 -4, .187 14, .622 1. .00 25, .31 O

ATOM 124 CB GLN A 129 12 .988 -3, .562 13, .551 1. .00 30, .41 C

ATOM 125 CG GLN A 129 11, .568 -4. .128 13. .530 1. .00 24. .54 C

ATOM 126 CD GLN A 129 10, .837 -3, .739 12. .253 1. .00 32. .64 C

ATOM 127 OEl GLN A 129 11, .265 -2, .850 11. .506 1. .00 30. .55 0

ATOM 128 NE2 GLN A 129 9, .711 -4. .402 11. .979 1. .00 25. .84 N

ATOM 129 N SER A 130 15, .457 -2, .071 15. .124 1. .00 22. .89 N

ATOM 130 CA SER A 130 16, .849 -1, .626 15. .114 1. .00 23. .87 c

ATOM 131 C SER A 130 17, .694 -2, .293 16, .185 1. .00 23. .67 c

ATOM 132 O SER A 130 18, .906 -2, .526 16, .013 1. .00 23. .23 o

ATOM 133 CB SER A 130 16, .975 -0, .120 15, .331 1. .00 20. .45 c

ATOM 134 OG SER A 130 16, .331 0, .591 14, .311 1. .00 21. .77 0

ATOM 135 N LEU A 131 17, .057 -2, .631 17, .307 1. .00 24. .75 N

ATOM 136 CA LEU A 131 17, .767 -3, .290 18, .400 1. .00 23. .51 C

ATOM 137 C LEU A 131 18, .303 -4, .655 18, .000 1. .00 27. .35 c

ATOM 138 O LEU A 131 19, .220 -5, .181 18, .645 1. .00 24. .14 0

ATOM 139 CB LEU A 131 16 .841 -3, .415 19, .624 1. .00 25. .75 c

ATOM 140 CG LEU A 131 17, .464 -4, .119 20, .844 1. .00 28. .95 c

ATOM 141 CDI LEU A 131 18 .604 -3, .267 21, .385 1. .00 23. .85 c

ATOM 142 CD2 LEU A 131 16, .428 -4, .412 21, .912 1. .00 26. .60 c

ATOM 143 N GLN A 132 17 .660 -5, .314 17, .033 1. .00 27. .10 N

ATOM 144 CA GLN A 132 18 .039 -6, .622 16, .557 1. .00 31. .63 c

ATOM 145 C GLN A 132 19 .118 -6, .577 15, .479 1. .00 32, .27 c

ATOM 146 O GLN A 132 19, .601 -7. .631 15. .051 1. .00 33. .42 0

ATOM 147 CB GLN A 132 16, .786 -7. .334 16. .009 1. .00 36. .29 c

ATOM 148 CG GLN A 132 15, .580 -7. .283 16. .959 1. .00 40. .37 c

ATOM 149 CD GLN A 132 15, .858 -7. .877 18. .314 1. .00 45. .42 c

ATOM 150 OEl GLN A 132 16. .857 -8. .635 18. .375 1. .00 42. .39 0

ATOM 151 NE2 GLN A 132 15, .168 -7. .704 19. .420 1. .00 45. .39 N

ATOM .152 N GLN A 133 19, .485- -5. .404 15. .002 1. .00 32. .23 N

ATOM 153 CA GLN A 133 20, .434 -5. .269 13. .901 1. .00 33. .98 C

ATOM 154 C GLN A 133 21, .868 -5. .188 14. .398 1. .00 32. .17 C

ATOM 155 O GLN A 133 22, .114 -4. .830 15. .540 1. .00 29. .06 O

ATOM 156 CB GLN A 133 20, .155 -3. .999 13. .093 1. .00 38. .99 c

ATOM 157 CG GLN A 133 18, .775 -3. .841 12. .506 1. .00 47. .21 c

ATOM 158 CD GLN A 133 18. .628 -4. .500 11. .159 1. .00 58. .19 c

ATOM 159 OEl GLN A 133 17. .557 -4. .980 10. .789 1. .00 65. .75 o

ATOM 160 NE2 GLN A 133 19. .703 -4. .541 10. .374 1. .00 61. .34 N ATOM 161 N PRO A 134 22.811 -5.276 13.455 1.00 33.49 N

ATOM 162 CA PRO A 134 24.231 -5.168 13.748 1.00 34.08 C

ATOM 163 C PRO A 134 24.659 -3.865 14.372 1.00 34.06 C

ATOM 164 O PRO A 134 25.495 -3.804 15.287 1.00 34.17 O

ATOM 165 CB PRO A 134 24.903 -5.365 12.375 00 34.81 C

ATOM 166 CG PRO A 134 23.930 -6.225 11.639 00 35.62 C

ATOM 167 CD PRO A 134 22.569 -5..722 12.060 00 33.13 C

ATOM 168 N VAL A 135 24.027 -2..761 13.968 00 34.42 N

ATOM 169 CA VAL A 135 24.301 -1..444 14.524 00 34.87 C

ATOM 170 C VAL A 135 24.025 -1..347 16.020 00 33.61 C

ATOM 171 O VAL A 135 24.579 -0.460 16.687 00 37.63 O

ATOM 172 CB VAL A 135 23.517 -0.350 13.767 00 36.76 C

ATOM 173 CGI VAL A 135 22.015 -0.430 14.021 00 30.64 C

ATOM 174 CG2 VAL A 135 24.031 1.033 14.148 00 33.02 C

ATOM 175 N ALA A 136 23.224 -2.223 16.597 00 31.43 N

ATOM 176 CA ALA A 136 22.868 -2.183 18.009 00 30.20 C

ATOM 177 C ALA A 136 23.668 -3.122 18.890 00 28.26 C

ATOM 178 O ALA A 136 23.262 -3.434 20.015 1.00 25.88 O

ATOM 179 CB ALA A 136 21.379 -2.525 18.123 00 28.52 C

ATOM 180 N THR A 137 24.833 -3.583 18.432 00 26.94 N

ATOM 181 CA THR A 137 25.691 -4.439 19.234 00 27.69 C

ATOM 182 C THR A 137 25.955 -3.818 20.604 00 29.49 C

ATOM 183 O THR A 137 25.799 -4.531 21.602 00 29.59 O

ATOM 184 CB THR A 137 27.044 -4.766 18.559 00 32.27 c

ATOM 185 OGl THR A 137 26.814 -5.284 17.240 00 35.77 o

ATOM 186 CG2 THR A 137 27.769 -5.869 19.332 00 28.02 c

ATOM 187 N SER A 138 26.340 -2.554 20.660 00 24.78 N

ATOM 188 CA SER A 138 26.613 -1.876 21.926 00 29.06 C

ATOM 189 C SER A 138 25.345 -1.664 22.742 00 27.64 C

ATOM 190 O SER A 138 25.350 -1.805 23.954 00 28.67 O

ATOM 191 CB SER A 138 27.315 -0.535 21.665 00 38.47 C

ATOM 192 OG SER A 138 26.381 0.459 21.255 00 48.97 O

ATOM 193 N ALA A 139 24.211 -1.403 22.114 00 26.76 N

ATOM 194 CA ALA A 139 22.924 -1.305 22.792 00 27.96 C

ATOM 195 C ALA A 139 22.549 -2.631 23.454 00 27.24 C

ATOM 196 O ALA A 139 22.132 -2.657 24.613 00 26.59 O

ATOM 197 CB ALA A 139 21.882 -0.872 21.769 00 29.50 c

ATOM 198 N ARG A 140 22.778 -3.752 22.765 00 22.72 N

ATOM 199 CA ARG A 140 22.504 -5..070 23.327 00 25.70 C

ATOM 200 C ARG A 140 23.457 -5..426 24.469 00 27.03 C

ATOM 201 O ARG A 140 23.100 -6..117 25.444 00 24.98 o

ATOM 202 CB ARG A 140 22.586 -6..122 22.203 00 27.50 c

ATOM 203 CG ARG A 140 21.354 -6..065 21.272 00 20.98 c

ATOM 204 CD ARG A 140 21.272 -7..401 20.515 00 26.54 c

ATOM 205 NE ARG A 140 22.469 -7..598 19.706 00 24.13 N

ATOM 206 CZ ARG A 140 22.679 -7..082 18.503 00 31.22 C

ATOM 207 NHl ARG A 140 21.800 -6..313 17.869 1.00 22.94 N

ATOM 208 NH2 ARG A 140 23.833 -7..340 17.898 00 29.58 N

ATOM 209 N GLN A 141 .24.718 -5..014 24.307 00 25.80 N

ATOM 210 CA GLN A 141 25.709 -5..233 25.357 00 31.51 C

ATOM 211 C GLN A 141 25.343 -4..427 26.604 00 30.17 C

ATOM 212 O GLN A 141 25.545 -4..964 27.692 00 31.16 O

ATOM 213 CB GLN A 141 27.135 -4..900 24.901 00 40.68 C

ATOM 214 CG GLN A 141 28.192 -5..217 25.949 00 49.78 C

ATOM 215 CD GLN A 141 29.611 -5.,199 25.424 00 56.24 C

ATOM 216 OEl GLN A 141 29.881 -4..781 24.293 00 58.97 O

ATOM 217 NE2 GLN A 141 30.565 -5..660 26.230 00 56.14 N ATOM 218 N TYR A 142 24.,853 -3.,202 26..450 1.,00 29.,25 N

ATOM 219 CA TYR A 142 24. .392 -2. ,436 27. .615 1. ,00 31. ,00 C

ATOM 220 C TYR A 142 23. ,261 -3. .166 28. .336 1. ,00 26. ,90 C

ATOM 221 O TYR A 142 23. .325 -3. .331 29. .561 1. .00 26. .49 O

ATOM 222 CB TYR A 142 23. .956 -1. .012 27. .287 1. .00 30. .81 C

ATOM 223 CG TYR A 142 23. .226 -0. .291 28. .413 1. .00 32. .97 C

ATOM 224 CDI TYR A 142 23. .894 0. .213 29. .508 1. .00 32. .16 C

ATOM 225 CD2 TYR A 142 21. .843 -0. .136 28. .366 1. .00 32. .24 C

ATOM 226 CEl TYR A 142 23. .211 0. .860 30. .526 1. .00 35. .38 C

ATOM 227 CΞ2 TYR A 142 21. .151 0. .513 29. .366 1. .00 33. .50 C

ATOM 228 CZ TYR A 142 21. .844 1. .004 30. .451 1. .00 36. .39 C

ATOM 229 OH TYR A 142 21. .167 1. .656 31. .456 1. .00 40. .11 0

ATOM 230 N LEU A 143 22. .231 -3. .634 27. .634 1. .00 23. .79 N

ATOM 231 CA LEU A 143 21. .113 -4. .305 28. .313 1. .00 23. .84 C

ATOM 232 C LEU A 143 21. .549 -5. .569 29. .043 1. .00 23. .99 C

ATOM 233 O LEU A 143 21. .184 -5. .866 30. .195 1. .00 24. .61 O

ATOM 234 CB LEU A 143 19. .998 -4. .626 27. .303 1. .00 21. .10 C

ATOM 235 CG LEU A 143 19. .396 -3. .398 26. .593 1. .00 24. .88 c

ATOM 236 CDI LEU A 143 18. .416 -3. .806 25. .501 1. .00 24. .31 c

ATOM 237 CD2 LEU A 143 18. .722 -2. .476 27. .601 1. .00 26. .63 c

ATOM 238 N GLU A 144 22. .437 -6. .331 28. .402 1. .00 24. .49 N

ATOM 239 CA GLU A 144 22. .951 -7. .560 28. .985 1. .00 27. .19 C

ATOM 240 C GLU A 144 23. .810 -7. .302 30. .217 1. .00 29. .23 c

ATOM 241 0 GLU A 144 23. .802 -8. .109 31. .152 1. .00 28. .89 o

ATOM 242 CB GLU A 144 23. .710 -8. .343 27. .928 1. .00 36. .03 c

ATOM 243 CG GLU A 144 24. .411 -9. .577 28. .487 1. .00 46. .12 c

ATOM 244 CD GLU A 144 25. .202 -10. .243 27. .373 1. .00 50. .72 c

ATOM 245 OEl GLU A 144 26, .388 -9. .909 27. .195 1. .00 54. .80 0

ATOM 246 OE2 GLU A 144 24, .593 -11. .089 26, .695 1. .00 57. .12 0

ATOM 247 N LYS A 145 24, .531 -6. .193 30, .277 1. .00 29. .16 N

ATOM 248 CA LYS A 145 25, .326 -5. .874 31, .466 1. .00 31. .85 c

ATOM 249 C LYS A 145 24, .505 -5. .234 32, .565 1. .00 31. .03 c

ATOM 250 O LYS A 145 24, .885 -5. .440 33, .723 1. .00 33. .17 0

ATOM 251 CB LYS A 145 26, .551 -5. .033 31, .096 1. .00 40. .11 c

ATOM 252 CG LYS A 145 27, .625 -5. .993 30, .573 1. .00 51. .04 c

ATOM 253 CD LYS A 145 28, .817 -5. .244 30, .012 1. .00 56. .57 c

ATOM 254 CE LYS A 145 30, .111 -5, .936 30, .433 1. .00 60. .72 c

ATOM 255 NZ LYS A 145 31, .213 -4, .926 30, .500 1, .00 63. .93 N

ATOM 256 N ARG A 146 23, .292 -4, .768 32 .280 1, .00 29, .00 N

ATOM 257 CA ARG A 146 22, .346 -4, .384 33 .317 1, .00 28, .82 c

ATOM 258 C ARG A 146 21 .546 -5, .574 33 .831 1, .00 28, .33 C

ATOM 259 O ARG A 146 20 .590 -5, .427 34 .602 1, .00 30, .16 O

ATOM 260 CB ARG A 146 21 .367 -3, .318 32 .802 1, .00 30, .77 C

ATOM 261 CG ARG A 146 21 .998 -1, .969 32 .497 1, .00 40, .66 C

ATOM 262 CD ARG A 146 22 .920 -1, .497 33 .613 1, .00 41, .88 C

ATOM 263 NE ARG A 146 22 .203 -1, .108 34 .811 1, .00 46, .49 N

ATOM 264 CZ ARG A 146 22 .703 -1, .064 36 .039 1, .00 47, .81 C

ATOM 265 NHl ARG A 146 23 .966 -1 .408 36 .263 1, .00 48, .50 N

ATOM 266 NH2 ARG A 146 21 .950 -0, .687 37 .063 1, .00 49, .59 N

ATOM 267 N GLY A 147 21 .802 -6 .759 33 .318 1, .00 28, .08 N

ATOM 268 CA GLY A 147 21 .142 -8 .005 33 .629 1, .00 27, .35 C

ATOM 269 C GLY A 147 19 .741 -8 .139 33 .024 1 .00 28, .33 C

ATOM 270 O GLY A 147 18 .961 -8 .977 33 .502 1, .00 26, .47 O

ATOM 271 N LEU A 148 19, .414 -7, .368 31, .994 1, .00 24. .86 N

ATOM 272 CA LEU A 148 18, .042 -7, .377 31, .482 1, .00 28. .18 C

ATOM 273 C LEU A 148 17, .791 -8, .493 30, .480 1, .00 28. .85 C

ATOM 274 O LEU A 148 18, .430 -8, .604 29, .442 1, .00 30. .85 O ATOM 275 CB LEU A 148 17.704 -5..996 30.,937 1.,00 26.,60 C

ATOM 276 CG LEU A 148 17. ,846 -4. .804 31. ,889 1. ,00 27. .64 C

ATOM 277 CDI LEU A 148 17. .412 -3. .534 31. ,144 1. ,00 32. .57 C

ATOM 278 CD2 LEU A 148 17. ,028 -4. .977 33. ,155 1. ,00 20. .78 C

ATOM 279 N SER A 149 16. ,883 -9. .407 30. .814 1. ,00 27. .11 N

ATOM 280 CA SER A 149 16. ,568 -10. .546 29. .977 1. .00 27. .71 C

ATOM 281 C SER A 149 15. .732 -10. .185 28. .760 1. .00 27. .14 , C

ATOM 282 O SER A 149 15. .064 -9. .151 28. .696 1. .00 25. .44 0

ATOM 283 CB SER A 149 15. .792 -11. .610 30. .783 1. .00 33. .47 c

ATOM 284 OG SER A 149 14. .520 -11. .090 31. .196 1. .00 31. .04 o

ATOM 285 N HIS A 150 15. .608 -11. .167 27. .868 1. .00 27. .65 N

ATOM . 286 CA HIS A 150 14. .756 -11. .028 26. .680 1. .00 29. .18 C

ATOM 287 C HIS A 150 13. .306 -10. .741 27. .050 1. .00 23. .91 C

ATOM 288 O HIS A 150 12. .594 -10. .022 26. .351 1. .00 24. .12 O

ATOM 289 CB HIS A 150 14. .840 -12. .348 25. .889 1. .00 35. .66 C

ATOM 290 CG HIS A 150 13. .991 -12. .428 24. .663 1. .00 47. .38 C

ATOM 291 NDl HIS A 150 12. .804 -13. .135 24. .605 1. .00 51. .48 N

ATOM 292 CD2 HIS A 150 14. .147 -11. .892 23. .430 1. .00 51. .82 C

ATOM 293 CEl HIS A 150 12. .279 -13, .019 23. .400 1. .00 53. .08 C

ATOM 294 NE2 HIS A 150 13. .073 -12, .264 22. .661 1. .00 56. .12 N

ATOM 295 N GLU A 151 12. .788 -11, .426 28. .058 1. .00 22. .98 N

ATOM 296 CA GLU A 151 11. .433 -11. .321 28. .559 1. .00 23. .40 C

ATOM 297 C GLU A 151 11. .119 -9. .913 29. .062 1. .00 20. .22 C

ATOM 298 O GLU A 151 10. .066 -9. .353 28. .775 1. .00 19. .37 0

ATOM 299 CB GLU A 151 11. .214 -12. .267 29. .756 1. .00 29. .86 c

ATOM 300 CG GLU A 151 11. .598 -13. .705 29. .646 1. .00 37. .14 c

ATOM 301 CD GLU A 151 12. .912 -14, .170 29. .096 1. .00 39. .80 c

ATOM 302 OEl GLU A 151 14. .029 -13, .865 29. .542 1. .00 40. .06 o

ATOM 303 OE2 GLU A 151 12. .827 -14, .924 28. .091 1. .00 49. .92 0

ATOM 304 N VAL A 152 12. .036 -9, .332 29. .839 1. .00 20. .78 N

ATOM 305 CA VAL A 152 11, .892 -7, .965 30. .324 1. .00 22. .37 C

ATOM 306 C VAL A 152 11. .962 -6, .950 29. .179 1. .00 21, .79 C

ATOM 307 O VAL A 152 11, .156 -6, .015 29. .101 1. .00 17, .62 o

ATOM 308 CB VAL A 152 12, .945 -7, .653 31. .400 1. .00 26, .15 c

ATOM 309 CGI VAL A 152 13, .019 -6, .166 31. .720 1. .00 31, .86 c

ATOM 310 CG2 VAL A 152 12, .629 -8, .442 32, .670 1. .00 29, .49 c

ATOM 311 N ILE A 153 12, .882 -7, .144 28, .238 1. .00 19, .50 N

ATOM 312 CA ILE A 153 12, .945 -6, .257 27, .074 1, .00 19, .81 C

ATOM 313 C ILE A 153 11, .658 -6, .341 26, .254 1, .00 22, .94 C

ATOM 314 O ILE A 153 11, .108 -5, .295 25, .874 1, .00 19, .91 o

ATOM 315 CB ILE A 153 14, .193 -6, .588 26, .249 1, .00 25, .56 c

ATOM 316 CGI ILE A 153 15, .460 -6 .231 27, .063 1, .00 26, .90 c

ATOM 317 CG2 ILE A 153 14, .227 -5, .829 24. .934 1. .00 20, .61 c

ATOM 318 CDI ILE A 153 16, .701 -6, .946 26. .544 1. .00 26, .81 c

ATOM 319 N ALA A 154 11, .105 -7, .545 26. .039 1. .00 20, .63 N

ATOM 320 CA ALA A 154 9, .817 -7, .676 25. .369 1. .00 22, .21 c

ATOM 321 C ALA A 154 8, .696 -7, .024 26. .181 1. .00 21, .79 C

ATOM 322 O ALA A 154 7, .826 -6, .298 25. .672 1. .00 20, .93 O

ATOM 323 CB ALA A 154 9, .462 -9, .159 25. .202 1. .00 23, .63 C

ATOM 324 N ARG A 155 8, .719 -7, .226 27, .492 1. .00 21, .29 N

ATOM 325 CA ARG A 155 7, .708 -6, .634 28, .385 1. .00 21, .70 C

ATOM 326 C ARG A 155 7, .518 -5, .139 28, .182 1, .00 22, .02 C

ATOM 327 O ARG A 155 6, .388 -4, .631 28. .159 1. .00 19, .24 O

ATOM 328 CB ARG A 155 8, .053 -6 .926 29. .854 1, .00 17, .99 c

ATOM 329 CG ARG A 155 7, .027 -6, .318 30, .845 1, .00 18, .96 c

ATOM 330 CD ARG A 155 7, .383 -6. .705 32, .271 1. .00 20, .01 c

ATOM 331 NE ARG A 155 6, .522 -6, .153 33. .313 1. .00 24. .20 N ATOM 332 CZ ARG A 155 5.,382 -6..715 33..718 1.,00 28..12 C

ATOM 333 NHl ARG A 155 4. .974 -7. .850 33. ,168 1. ,00 22. .36 N

ATOM 334 NH2 ARG A 155 4. .630 -6. .179 34. .676 1. ,00 26. .57 N

ATOM 335 N PHE A 156 8. .627 -4. .393 28. .116 1. ,00 20. .58 N

ATOM 336 CA PHE A 156 8. .595 -2. .942 28. .002 1. .00 17. .32 C

ATOM 337 C PHE A 156 8. .799 -2. .481 26. .575 1. .00 18. .81 C

ATOM 338 O PHE A 156 8. .989 -1. .300 26. .323 1. .00 17. .70 O

ATOM 339 CB PHE A 156 9. .683 -2. .359 28. .960 1. .00 18. .51 C

ATOM 340 CG PHE A 156 9. .281 -2. .571 30. .405 1. .00 18. .88 C

ATOM 341 CDI PHE A 156 9. .802 -3. .600 31. .165 1. .00 20. .70 C

ATOM 342 CD2 PHE A 156 8. .354 -1. .728 30. .997 1. .00 19. .37 C

ATOM 343 CEl PHE A 156 9. .422 -3. .787 32, .474 1. .00 19. .89 C

ATOM 344 CE2 PHE A 156 7. .960 -1. .901 32. .321 1. .00 19. .20 C

ATOM 345 CZ PHE A 156 8. .485 -2. .933 33. .069 1. .00 19. .00 C

ATOM 346 N ALA A 157 8. .924 -3. .399 25. .608 1. .00 20. .49 N

ATOM 347 CA ALA A 157 9. .087 -3. .091 24. .197 1. .00 20. .67 C

ATOM 348 C ALA A 157 10. .287 -2. .161 23. .996 1. .00 19. .65 C

ATOM 349 O ALA A 157 10. .227 -1. .247 23. .181 1. .00 19. .51 O

ATOM 350 CB ALA A 157 7. .848 -2. .460 23. .549 1. .00 17. .77 C

ATOM 351 N ILE A 158 11. .403 -2. .525 24. .625 1. .00 19, .35 N

ATOM 352 CA ILE A 158 12. .580 -1. .635 24. .568 1. .00 18, .45 C

ATOM 353 C ILE A 158 13. .233 -1. .664 23. .203 1. .00 21, .61 C

ATOM 354 O ILE A 158 13. .299 -2. .727 22. .587 1. .00 18, .80 0

ATOM 355 CB ILE A 158 13. .563 -2. .027 25. .677 1. .00 20, .85 c

ATOM 356 CGI ILE A 158 12. .928 -1, .561 27. .010 1. .00 26, .06 c

ATOM 357 CG2 ILE A 158 14, .933 -1, .378 25. .498 1. .00 18. .04 c

ATOM 358 CDI ILE A 158 13. .526 -2, .280 28. .193 1. .00 24, .91 c

ATOM 359 N GLY A 159 13. .679 -0, .499 22, .718 1. .00 19, .72 N

ATOM 360 CA GLY A 159 14, .297 -0, .423 21, .414 1. .00 19, .52 C

ATOM 361 C GLY A 159 15, .618 0, .333 21. .367 1. .00 20, .49 c

ATOM 362 O GLY A 159 16, .211 0, .658 22. .399 1. .00 20, .05 0

ATOM 363 N PHE A 160 16, .052 0, .654 20. .139 1. .00 18, .56 N

ATOM 364 CA PHE A 160 17, .302 1, .417 20. .000 1. .00 21, .71 C

ATOM 365 C PHE A 160 17, .207 2, .433 18, .876 1. .00 22, .54 C

ATOM 366 O PHE A 160 16, .717 2, .119 17. .786 1. .00 23, .25 O

ATOM 367 CB PHE A 160 18, .464 0, .426 19, .756 1. .00 21, .59 C

ATOM 368 CG PHE A 160 19, .801 1, .085 19, .497 1. .00 24, .49 C

ATOM 369 CDI PHE A 160 20, .379 1, .931 20, .433 1. .00 28, .84 c

ATOM 370 CD2 PHE A 160 20, .466 0 .858 18, .313 1. .00 29, .58 c

ATOM 371 CEl PHE A 160 21, .608 2 .534 20, .188 1. .00 31, .90 c

ATOM 372 CE2 PHE A 160 21, .689 1, .447 18, .055 1. .00 36, .50 c

ATOM 373 CZ PHE A 160 22, .262 2 .280 18, .995 1. .00 30, .14 c

ATOM 374 N ALA A 161 17 .537 3 .678 19, .169 1. .00 22, .33 N

ATOM 375 CA ALA A 161 17 .599 4 .749 18, .166 1. .00 23, .49 C

ATOM 376 C ALA A 161 19 .071 4 .791 17, .755 1. .00 24, .33 c

ATOM 377 O ALA A 161 19 .928 5 .092 18, .592 1, .00 27 .46 0

ATOM 378 CB ALA A 161 17 .163 6 .081 18, .786 1, .00 19 .22 c

ATOM 379 N PRO A 162 19 .387 4 .342 16, .560 1, .00 28 .05 N

ATOM .380 CA PRO A 162 20 .767 4 .238 16, .136 1, .00 31 .54 C

ATOM 381 C PRO A 162 21 .426 5 .607 16, .001 1, .00 31 .17 C

ATOM 382 O PRO A 162 20 .755 6 .637 15, .994 1, .00 26 .93 O

ATOM 383 CB PRO A 162 20 .733 3 .517 14, .793 1, .00 31 .56 c

ATOM 384 CG PRO A 162 19 .322 3 .124 14, .558 1, .00 32 .84 c

ATOM 385 CD PRO A 162 18 .442 3 .917 15, .502 1. .00 29, .40 c

ATOM 386 N PRO A 163 22 .743 5 .570 15, .843 1. .00 33 .02 N

ATOM 387 CA PRO A 163 23 .524 6 .775 15, .608 1, .00 34, .75 c

ATOM 388 C PRO A 163 23 .090 7 .429 14, .310 1. .00 34, .60 C ATOM 389 O PRO A 163 22..529 6..753 13..433 1.,00 34..47 0

ATOM 390 CB PRO A 163 24. .962 6. .301 15. .444 1. ,00 35. .62 C

ATOM 391 CG PRO A 163 24. .998 4. .846 15. .730 1. ,00 36. .36 C

ATOM 392 CD PRO A 163 23. .584 4. .348 15. .840 1. .00 34. .65 C

ATOM 393 N GLY A 164 23. .436 8. .692 14. .120 1. .00 34. .89 N

ATOM 394 CA GLY A 164 23. .090 9. .370 12. .870 1. .00 35. .37 C

ATOM 395 C GLY A 164 22. .134 10, .521 13. .156 1. .00 34. .14 C

ATOM 396 O GLY A 164 21, .401 10, .456 14, .140 1. .00 33. .84 0

ATOM 397 N TRP A 165 22. .109 11, .514 12, .284 1. .00 34. .63 N

ATOM 398 CA TRP A 165 21, .288 12, .696 12, .464 1. .00 34. .59 C

ATOM 399 C TRP A 165 19, .903 12, .607 11, .852 1. .00 33. .03 C

ATOM 400 O TRP A 165 19. .034 13. .393 12. .230 1. .00 32. .89 0

ATOM 401 CB TRP A 165 21. .980 13. .923 11. .839 1. .00 40. .13 C

ATOM 402 CG TRP A 165 23. .258 14. .329 12. .495 1. .00 43. .06 C

ATOM 403 CDI TRP A 165 24. .516 14. .046 12. .046 1. .00 49. .58 C

ATOM 404 CD2 TRP A 165 23. .427 15. .083 13. .702 1. .00 45. .07 C

ATOM 405 NE1 TRP A 165 25. .462 14, .571 12, .898 1. .00 50. .98 N

ATOM 406 CE2 TRP A 165 24. .810 15, .213 13, .925 1. .00 48. .57 C

ATOM 407 CE3 TRP A 165 22, .544 15, .660 14, .620 1. .00 44. .62 C

ATOM 408 CZ2 TRP A 165 25, .328 15, .897 15, .023 1. .00 48. .12 C

ATOM 409 CZ3 TRP A 165 23, .061 16, .337 15, .712 1. .00 46. .45 C

ATOM 410 CH2 TRP A 165 24, .446 16, .452 15, .906 1. .00 44. .01 c

ATOM 411 N ASP A 166 19, .669 11, .679 10, .939 1. .00 35, .16 N

ATOM 412 CA ASP A 166 18, .396 11, .669 10, .231 1. .00 37, .32 C

ATOM 413 C ASP A 166 17, .758 10, .319 9, .995 1. .00 37, .13 C

ATOM 414 O ASP A 166 17. .008 10, .236 9, .013 1. .00 38. .40 0

ATOM 415 CB ASP A 166 18. .620 12, .364 8, .867 1. .00 39. .76 C

ATOM 416 CG ASP A 166 19, .551 11. .584 7, .964 1. .00 48. .30 C

ATOM 417 ODl ASP A 166 20, .345 10, .745 8, .441 1. .00 46. .24 0

ATOM 418 OD2 ASP A 166 19, .472 11, .821 6, .734 1. .00 53. .88 O

ATOM 419 N ASN A 167 17, .918 9, .337 10, .880 1. .00 35. .79 N

ATOM 420 CA ASN A 167 17, .270 8, .043 10, .626 1. .00 34. .77 C

ATOM 421 C ASN A 167 15, .762 8, .210 10, .553 1. .00 35. .95 C

ATOM 422 O ASN A 167 15, .100 7, .890 9, .559 1. .00 34, .64 0

ATOM 423 CB ASN A 167 17 .694 7, .019 11, .682 1. .00 33, .00 C

ATOM 424 CG ASN A 167 19 .171 6, .715 11, .491 1. .00 37, .49 C

ATOM 425 ODl ASN A 167 19 .582 6, .555 10 .338 1. .00 41, .33 0

ATOM 426 ND2 ASN A 167 19 .957 6 .642 12 .548 1. .po 38, .15 N

ATOM 427 N VAL A 168 15 .200 8 .800 11 .612 1. .00 34, .42 N

ATOM 428 CA VAL A 168 13, .760 9, .042 11, .665 1. .00 32. .48 C

ATOM 429 C VAL A 168 13, .320 10, .067 10, .644 1. .00 33. .34 C

ATOM 430 O VAL A 168 12, .293 9, .902 9, .963 1. .00 33. .31 0

ATOM 431 CB VAL A 168 13, .402 9, .405 13, .118 1. .00 37. .16 C

ATOM 432 CGI VAL A 168 12, .089 10, .135 13, .237 1. .00 35. .96 C

ATOM 433 CG2 VAL A 168 13, .407 8, .085 13, .915 1. .00 32, .16 C

ATOM 434 N LEU A 169 14, .073 11, .147 10, .491 1. .00 33, .94 N

ATOM 435 CA LEU A 169 13, .752 12, .150 9 .482 1. .00 36, .81 C

ATOM 436 C LEU A 169 13, .502 11, .494 8 .121 1. .00 35, .19 C

ATOM .437 O LEU A 169 12 .440 11, .727 7, .541 1. .00 33, .50 0

ATOM 438 CB LEU A 169 14, .848 13, .206 9 .355 1. .00 36, .68 C

ATOM 439 CG LEU A 169 14, .593 14, .339 8 .351 1. .00 42, .39 C

ATOM 440 CDI LEU A 169 13 .374 15, .157 8 .732 1. .00 39, .15 C

ATOM 441 CD2 LEU A 169 15, .816 15, .240 8 .273 1, .00 45, .13 C

ATOM 442 N LYS A 170 14, .464 10. .739 7, .612 1. .00 36. .44 N

ATOM 443 CA LYS A 170 14. .310 10, .115 6, .303 1. .00 40. .54 C

ATOM 444 C LYS A 170 13. .121 9. .159 6, .234 1. .00 41. .49 C

ATOM 445 O LYS A 170 12, .325 9. .240 5, .303 1. .00 41. .72 0 ATOM 446 CB LYS A 170 15.547 9.317 5.890 1.00 42.42 C

ATOM 447 CG LYS A 170 16. 833 10. 102 5. ,756 1. 00 50. 36 C

ATOM 448 CD LYS A 170 17. 989 9. 172 5. 414 1. 00 54. 98 C

ATOM 449 CE LYS A 170 19. 238 9. 945 5. 015 1. 00 58. 43 C

ATOM 450 NZ LYS A 170 20. ,220 9. ,073 4. ,305 1. 00 59. ,42 N

ATOM 451 N ARG A 171 13. 029 8. 232 7. ,186 1. 00 40. 99 N

ATOM 452 CA ARG A 171 12. 010 7. ,205 7. .148 1. 00 39. .11 C

ATOM 453 C ARG A 171 10. ,584 7. .678 7. .342 1. 00 38. .96 C

ATOM 454 O ARG A 171 9. ,643 7. ,048 6. .828 1. 00 38. .41 O

ATOM 455 CB ARG A 171 12. ,341 6. .099 8. .157 1. 00 40. .16 C

ATOM 456 CG ARG A 171 13. 481 5. ,179 7. .726 1. 00 46. .91 C

ATOM 457 CD ARG A 171 13. ,857 4. .234 8. .857 1. ,00 43. .89 C

ATOM 458 NE ARG A 171 14. .903 3. .291 8. .535 1. ,00 53. .31 N

ATOM 459 CZ ARG A 171 16. .207 3. .496 8. .440 1. 00 56. ,88 C

ATOM 460 NHl ARG A 171 16. .749 4. .689 8. .643 1. ,00 57. .82 N

ATOM 461 NH2 ARG A 171 17. .001 2. .472 8. .135 1. .00 63. .49 N

ATOM 462 N PHE A 172 10. ,360 8. .673 8. .194 1. .00 36. .14 N

ATOM 463 CA PHE A 172 9. .017 9. .102 8. .546 1. .00 34. .45 C

ATOM 464 C PHE A 172 8. .757 10. .571 8. .272 1. .00 34. .03 C

ATOM 465 O PHE A 172 7. .646 11. .035 8. .565 1. .00 33. .17 O

ATOM 466 CB PHE A 172 8. .778 8. .850 10. .054 1. .00 33. .77 C

ATOM 467 CG PHE A 172 8. .966 7. .417 10. .462 1. .00 34. .39 C

ATOM 468 CDI PHE A 172 10. .189 6. .965 10. .935 1. ,00 33. .18 C

ATOM 469 CD2 PHE A 172 7. .916 6, .511 10. .344 1. .00 30. .63 C

ATOM 470 CEl PHE A 172 10. .356 5. .641 11. .302 1. .00 32. .90 C

ATOM 471 CE2 PHE A 172 8. .079 5, .192 10. .708 1. .00 29. .39 C

ATOM 472 CZ PHE A 172 9. .304 4, .749 11. .188 1. .00 32. .34 C

ATOM 473 N GLY A 173 9. .789 11, .326 7. .898 1. .00 35. .75 N

ATOM 474 CA GLY A 173 9. .617 12, .765 7. .765 1. .00 41. .58 C

ATOM 475 C GLY A 173 t 9, .327 13, .280 6, .370 1. .00 45, .49 C

ATOM 476 O GLY A 173 9. .155 14, .494 6. .191 1. .00 45, .95 O

ATOM 477 N GLY A 174 9, .235 12, .404 5, .382 1. .00 48, .24 N

ATOM 478 CA GLY A 174 8 .995 12 .789 3, .998 1. .00 51, .21 C

ATOM 479 C GLY A 174 7, .867 13, .793 3, .832 1. .00 52, .72 C

ATOM 480 O GLY A 174 8, .058 14 .903 3, .337 1. .00 53, .15 O

ATOM 481 N ASN A 175 6 .665 13 .416 4 .223 1. .00 53, .87 N

ATOM 482 CA ASN A 175 5, .494 14 .286 4, .180 1. .00 55, .66 C

ATOM 483 C ASN A 175 5 .644 15 .460 5 .139 1. .00 57 .00 C

ATOM 484 O ASN A 175 5, .904 15 .313 6, .335 1. .00 55 .37 O

ATOM 485 CB ASN A 175 4 .272 13 .443 4, .549 1. .00 61, .57 C

ATOM 486 CG ASN A 175 2 .952 14 .137 4 .332 1, .00 66 .59 c

ATOM 487 ODl ASN A 175 2 .223 14 .424 5, .282 1. .00 70, .10 0

ATOM 488 ND2 ASN A 175 2 .630 14 .408 3 .073 1. .00 69 .36 N

ATOM 489 N PRO A 176 5 .424 16 .672 4 .629 1, .00 56 .82 N

ATOM 490 CA PRO A 176 5 .578 17 .897 5, .389 1, .00 55 .99 C

ATOM 491 C PRO A 176 4 .761 17 .954 6 .662 1, .00 54 .71 C

ATOM 492 O PRO A 176 5 .267 18 .420 7 .689 1, .00 53 .57 O

ATOM 493 CB PRO A 176 5 .204 19 .003 4 .404 1, .00 56 .00 C

ATOM 494 CG PRO A 176 5 .493 18 .418 3 .065 1, .00 55 .98 C

ATOM 495 CD PRO A 176 5 .154 16 .952 3 .192 1 .00 56 .42 C

ATOM 496 N GLU A 177 3 .520 17 .485 6 .632 1, .00 53 .85 N

ATOM 497 CA GLU A 177 2 .662 17 .459 7 .809 1, .00 53 .44 C

ATOM 498 C GLU A 177 3 .102 16 .406 8 .813 1 .00 50 .80 C

ATOM 499 O GLU A 177 3 .003 16 .640 10 .015 1, .00 51 .37 0

ATOM 500 CB GLU A 177 1 .195 17 .246 7 .410 1, .00 60 .19 c

ATOM 501 CG GLU A 177 0 .641 18 .399 6 .589 1, .00 69 .81 c

ATOM 502 CD GLU A 177 -0 .794 18 .216 6 .148 1, .00 76 .10 c ATOM 503 OEl GLU A 177 -1.439 17.,229 6.563 1.00 78.,84 0

ATOM 504 OE2 GLU A 177 -1. 302 19. 061 5. 376 1. 00 80. .11 0

ATOM 505 N ASN A 178 3. 611 15. 263 8. ,360 1. 00 49. .24 N

ATOM 506 CA ASN A 178 4. 136 14. ,240 9. 262 1. .00 47. .15 C

ATOM 507 C ASN A 178 5. 413 14. ,747 9. ,931 1. .00 46. .80 c

ATOM 508 O ASN A 178 5. ,626 14. .517 11. ,124 1. .00 45. .02 0

ATOM 509 CB ASN A 178 4. ,339 12. ,914 8. ,541 1. ,00 41. .34 c

ATOM 510 CG ASN A 178 3. ,042 12. .241 8. ,126 1. ,00 43. .90 c

ATOM 511 ODl ASN A 178 3. .040 11. .295 7. .328 1. .00 43. .75 0

ATOM 512 ND2 ASN A 178 1. ,912 12. .705 8. ,647 1. .00 42. .43 N

ATOM 513 N ARG A 179 6. .205 15. .558 9. ,221 1. .00 45. .53 N

ATOM 514 CA ARG A 179 7. .405 16. .166 9. .781 1. .00 45. .81 c

ATOM 515 C ARG A 179 7. .050 17. .157 10. .886 1. .00 44. .87 c

ATOM 516 O ARG A 179 7. ,677 17. .205 11. .944 1. .00 44. .81 0

ATOM 517 CB ARG A 179 8. .204 16. .893 8. .706 1. .00 48. .42 c

ATOM 518 CG ARG A 179 9. .651 17. .202 9. .051 1. .00 50. .92 c

ATOM 519 CD ARG A 179 10. .472 17. .315 7. .766 1. .00 57, .20 c

ATOM 520 NE ARG A 179 10. .105 18. .507 7. .018 1. .00 58, .61 N

ATOM 521 CZ ARG A 179 9. .837 18. .577 5. .719 1. .00 60, .99 C

ATOM 522 NHl ARG A 179 9. .880 17. .482 4. .969 1. .00 61, .10 N

ATOM 523 NH2 ARG A 179 9. .516 19. .749 5, .181 1. .00 55, .41 N

ATOM 524 N GLN A 180 5. .988 17. .927 10. .659 1. .00 43. .14 N

ATOM 525 CA GLN A 180 5. .499 18. .892 11. .623 1. .00 42. .45 C

ATOM 526 C GLN A 180 5. .061 18. .194 12. .912 1. .00 39, .97 C

ATOM 527 O GLN A 180 5. .351 18. .640 14. .014 1. .00 38, .67 0

ATOM 528 CB GLN A 180 4. .303 19. .700 11. .099 1. .00 43. .42 C

ATOM 529 CG GLN A 180 3. .951 20. .843 12. .072 1. .00 47, .41 C

ATOM 530 CD GLN A 180 5. .148 21. .780 12, .206 1. .00 46, .88 c

ATOM 531 OEl GLN A 180 5. .815 22. .040 11, .202 1. .00 50, .37 0

ATOM 532 NE2 GLN A 180 5. .441 22. .263 13, .397 1. .00 50, .27 N

ATOM 533 N SER A 181 4, .319 17, .114 12, .747 1. .00 40, .54 N

ATOM 534 CA SER A 181 3, .853 16, .319 13, .884 1. .00 42, .11 c

ATOM 535 C SER A 181 4, .989 15, .789 14. .745 1. .00 39. .70 c

ATOM 536 O SER A 181 5, .009 15, .918 15, .978 1. .00 37. .67 0

ATOM 537 CB SER A 181 3, .008 15, .181 13, .301 1. .00 45 .54 c

ATOM 538 OG SER A 181 1, .916 15, .843 12, .659 1. .00 49 .61 0

ATOM 539 N LEU A 182 6 .023 15, .281 14 .083 1, .00 37 .54 N

ATOM 540 CA LEU A 182 7 .219 14 .789 14 .762 1, .00 37 .10 C

ATOM 541 C LEU A 182 8 .000 15 .909 15 .422 1, .00 35 .74 c

ATOM 542 O LEU A 182 8 .627 15 .692 16 .466 1, .00 35 .74 0

ATOM 543 CB LEU A 182 8 .063 1 .007 13 .736 1, .00 39 .11 c

ATOM 544 CG LEU A 182 7 .375 12 .691 13 .317 1, .00 36 .20 c

ATOM 545 CDI LEU A 182 8, .131 12, .020 12, .192 1. .00 37. .01 c

ATOM 546 CD2 LEU A 182 7, .214 11, .788 14, .537 1, .00 36 .30 c

ATOM 547 N ILE A 183 7, .945 17, .122 1 .862 1, .00 34 .24 N

ATOM 548 CA ILE A 183 8, .593 18 .268 15 .497 1, .00 35 .50 C

ATOM 549 C ILE A 183 7 .756 18 .647 16 .721 1, .00 34 .95 C

ATOM 550 O ILE A 183 8 .303 18 .897 17 .795 1, .00 34 .16 0

ATOM 551 CB ILE A 183 8 .785 19 .500 14 .594 1, .00 38 .69 C

ATOM 552 CGI ILE A 183 9 .761 19 .209 13 .457 1, .00 37 .99 C

ATOM 553 CG2 ILE A 183 9 .309 20 .693 15 .397 1, .00 33 .34 c

ATOM 554 CDI ILE A 183 9 .734 20 .181 12 .297 1, .00 43 .19 c

ATOM 555 N ASP A 184 6 .431 18 .601 16 .587 1, .00 35 .13 N

ATOM 556 CA ASP A 184 5 .566 18 .862 17 .727 1, .00 37 .03 C

ATOM 557 C ASP A 184 5 .836 17 .850 18 .843 1, .00 36 .34 C

ATOM 558 O ASP A 184 5 .923 18 .201 20 .018 1, .00 37 .19 0

ATOM 559 CB ASP A 184 4 .086 18 .819 17 .343 1, .00 38 .30 c ATOM 560 CG ASP A 184 3.,683 19.,944 16.,406 1.00 39.,67 C

ATOM 561 ODl ASP A 184 4. ,455 20. .915 16. ,339 1. 00 40. .68 0

ATOM 562 OD2 ASP A 184 2. .628 19. .853 15. .752 1. 00 40. .48 0

ATOM 563 N ALA A 185 6. ,017 16. ,588 18. .493 1. 00 35. .04 N

ATOM 564 CA ALA A 185 6. .227 15. .495 19. .442 1. 00 31. .93 C

ATOM 565 C ALA A 185 7. .627 15. .426 20. .003 1. 00 28. .91 C

ATOM 566 O ALA A 185 7. .918 14. .674 20. .931 1. 00 29. .90 0

ATOM 567 CB ALA A 185 5. .869 14. .148 18. .814 1. ,00 27. .37 C

ATOM 568 N GLY A 186 8. .559 16. .212 19. .484 1. ,00 32. .06 N

ATOM 56,9 CA GLY A 186 9. .907 16. .326 19. .983 1. 00 28. .42 C

ATOM 570 C GLY A 186 10. .839 15. .251 19. .456 1. 00 27. .05 C

ATOM 571 O GLY A 186 11. .971 15. .141 19. .921 1. .00 27. .09 0

ATOM 572 N MET A 187 10. .407 14. .545 18. .413 1. .00 26. .41 N

ATOM 573 CA MET A 187 11. .221 13. .473 17. .827 1. .00 23. .04 C

'ATOM 574 C MET A 187 12. .104 14. .035 16. .728 1. .00 24. .59 C

ATOM 575 O MET A 187 13. .135 13. .445 16. .402 1. .00 23. .23 0

ATOM 576 CB MET A 187 10. .304 12. .332 17. .391 1. .00 23. .40 C

ATOM 577 CG MET A 187 9. .421 11. .744 18. .507 1. .00 23. .82 C

ATOM 578 SD MET A 187 10. .272 11. .368 20. .053 1. .00 23. .96 s

ATOM 579 CE MET A 187 11. .402 10. .097 19. .460 1. .00 18. .84 c

ATOM 580 N LEU A 188 11. .756 15, .209 16, .208 1. .00 25. .05 N

ATOM 581 CA LEU A 188 12. .565 16. .009 15. .306 1. .00 28. .69 C

ATOM 582 C LEU A 188 12. .755 17. .408 15. .910 1. .00 30. .55 C

ATOM 583 O LEU A 188 11, .881 17, .870 16, .642 1. .00 28. .85 O

ATOM 584 CB ^•LEU A 188 11. .919 16. .173 13. .923 1. .00 28. .17 C

ATOM 585 CG LEU A 188 11, .763 14, .905 13, .081 1. .00 29. .32 C

ATOM 586 CDI LEU A 188 lo, .887 15, .161 11, .859 1. .00 34. .64 c

ATOM 587 CD2 LEU A 188 13, .108 14, .335 12. .639 1. .00 28. .51 c

ATOM 588 N VAL A 189 13, .908 18, .030 15, .728 1. .00 31. .38 N

ATOM 589 CA VAL A 189 14, .229 19, .369 16, .169 1. .00 35, .38 C

ATOM 590 C VAL A 189 14, .848 20, .136 14, .983 1. .00 39. .18 C

ATOM 591 O VAL A 189 15, .201 19, .528 13, .974 1. .00 35. .84 0

ATOM 592 CB VAL A 189 15, .198 19 .494 17, .353 1. .00 32, .81 c

ATOM 593 CGI VAL A 189 14, .519 19, .243 18, .689 1. .00 32. .48 c

ATOM 594 CG2 VAL A 189 16, .376 18, .537 17, .201 1. .00 32, .12 c

ATOM 595 N THR A 190 15 .044 21 .443 15, .124 1. .00 43, .10 N

ATOM 596 CA THR A 190 15, .537 22, .288 14, .050 1. .00 46. .56 C

ATOM 597 C THR A 190 16, .910 22 .921 14, .221 1. .00 47, .29 C

ATOM 598 O THR A 190 17 .121 23 .739 15, .117 1. .00 47, .29 0

ATOM 599 CB THR A 190 14, .602 23, .510 13. .857 1. .00 50, .03 C

ATOM 600 OGl THR A 190 14 .628 24 .275 15, .071 1. .00 52, .03 0

ATOM 601 CG2 THR A 190 13 .202 23 .054 13, .503 1. .00 57, .14 C

ATOM 602 N ASN A 191 17 .791 22, .698 13, .249 1. .00 49, .13 N

ATOM 603 CA ASN A 191 19 .126 23 .305 13, .297 1, .00 49, .48 C

ATOM 604 C ASN A 191 19 .056 24 .750 12 .805 1, .00 49, .57 C

ATOM 605 O ASN A 191 18 .141 25, .072 12, .034 1. .00 47, .32 0

ATOM 606 CB ASN A 191 20 .127 22 .500 12, .481 1, .00 52, .39 C

ATOM 607 CG ASN A 191 20 .256 22 .943 11 .037 1, .00 53 .66 C

ATOM .608 ODl ASN A 191 19 .379 23 .584 10, .468 1, .00 55, .64 o

ATOM 609 ND2 ASN A 191 21 .396 22 .589 10, .464 1, .00 56, .54 N

ATOM 610 N ARG A 195 16 .545 21 .746 7 .677 1, .00 58 .00 N

ATOM 611 CA ARG A 195 16 .762 22 .354 8, .989 1, .00 53, .68 C

ATOM 612 C ARG A 195 16 .449 21 .346 10 .104 1, .00 49, .82 C

ATOM 613 O ARG A 195 16 .986 21 .439 11 .205 1, .00 47, .91 O

ATOM 614 CB ARG A 195 15 .868 23 .574 9, .173 1. .00 58, .31 C

ATOM 615 CG ARG A 195 15 .582 24 .390 7, .931 1, .00 68, .87 C

ATOM 616 CD ARG A 195 14 .543 25 .461 8 .237 1, .00 75, .10 c ATOM 617 NE ARG A 195 14.,103 26.,199 7.,063 1.00 81.,00 N

ATOM 618 CZ ARG A 195 13. 459 25. ,690 6. ,024 1. 00 83. ,91 C

ATOM 619 NHl ARG A 195 13. .167 24. .392 5. .996 1. .00 87. .43 N

ATOM 620 NH2 ARG A 195 13. .073 26. .394 4. ,971 1. .00 86. .63 N

ATOM 621 N SER A 196 15. .638 20. .351 9. ,788 1. .00 45. .34 N

ATOM 622 CA SER A 196 15. .207 19. .332 10. ,729 1. .00 38. .48 C

ATOM 623 C SER A 196 16. .147 18. .138 10. ,867 1. .00 36. .91 C

ATOM 624 O SER A 196 16. .762 17. .695 9. ,888 1. .00 32. .23 O

ATOM 625 CB SER A 196 13. .841 18. .818 10. ,271 1. .00 32. .20 C

ATOM 626 OG SER A 196 12. .823 19. .766 10. .524 1. .00 39. .91 O

ATOM 627 N TYR A 197 16. .174 17. .566 12. .081 1. ,00 32. .12 N

ATOM 628 CA TYR A 197 16. .991 16. .376 12. .321 1. .00 31. .53 C

ATOM 629 C TYR A 197 16. .536 15. .624 13. .570 1. .00 28. .68 C

ATOM 630 O TYR A 197 15. .741 16. .151 14. .354 1. .00 26. .23 O

ATOM 631 CB TYR A 197 18. .465 16. .771 12. .344 1. ,00 31. .53 C

ATOM 632 CG TYR A 197 18. .832 17. .537 13. .601 1. ,00 35. .88 C

ATOM 633 CDI TYR A 197 19. .313 16. .842 14. .709 1. .00 38. .77 c

ATOM 634 CD2 TYR A 197 18. .698 18. .910 13. .693 1. .00 37. .29 c

ATOM 635 CEl TYR A 197 19. .653 17. .509 15. .869 1. .00 39. .26 c

ATOM 636 CE2 TYR A 197 19. .039 19, .582 14. .853 1. .00 38. .87 c

ATOM 637 CZ TYR A 197 19. .522 18. .873 15. .938 1. .00 38. .31 c

ATOM 638 OH TYR A 197 19. .855 19. .529 17. .096 1. .00 36. .45 0

ATOM 639 N ASP A 198 16. .996 14. .387 13. .724 1. .00 27. .29 N

ATOM 640 CA ASP A 198 16. .542 13, .547 14. .830 1. .00 27. .83 C

ATOM 641 C ASP A 198 17. .045 14. .034 16, .187 1. .00 27. .05 C

ATOM 642 O ASP A 198 18. .243 14. .256 16. .343 1. .00 26. .73 0

ATOM 643 CB ASP A 198 17. .009 12, .096 14, .650 1. .00 29, .50 c

ATOM 644 CG ASP A 198 16. .395 11, .355 13, .482 1. .00 30. .77 c

ATOM 645 ODl ASP A 198 15. .850 11, .984 12, .550 1. .00 31. .42 0

ATOM 646 OD2 ASP A 198 16. .430 10. .110 13. .473 1. .00 31. .74 0

ATOM 647 N ARG A 199 16, .144 14, .074 17, .164 1. .00 26, .38 N

ATOM 648 CA ARG A 199 16. .553 14, .422 18, .513 1. .00 26. .84 C

ATOM 649 C ARG A 199 17. .170 13, .244 19. .271 1. .00 27. .69 C

ATOM 650 O ARG A 199 18, .172 13, .417 19, .978 1. .00 26, .20 0

ATOM 651 CB ARG A 199 15, .386 14, .972 19, .323 1. .00 25, .67 c

ATOM 652 CG ARG A 199 15, .777 15, .318 20. .771 1. ,00 30, .47 c

ATOM 653 CD ARG A 199 16. .763 16, .477 20, .794 1. .00 31, .82 c

ATOM 654 NE ARG A 199 17, .311 16 .748 22, .123 1. .00 23, .39 N

ATOM 655 CZ ARG A 199 18, .427 16 .257 22, .618 1. .00 30, .28 c

ATOM 656 NHl ARG A 199 19, .206 15, .429 21. .925 1. .00 28. .91 N

ATOM 657 NH2 ARG A 199 18, .832 16. .586 23. .849 1. ,00 29, .42 N

ATOM 658 N PHE A 200 16, .518 12 .083 19, .198 1. .00 25, .70 N

ATOM 659 CA PHE A 200 16, .947 10 .903 19, .937 1. .00 25, .28 C

ATOM 660 C PHE A 200 17, .909 10, .112 19. .064 1. .00 24. .68 C

ATOM 661 O PHE A 200 17, .533 9 .600 18 .005 1. .00 23, .83 O

ATOM 662 CB PHE A 200 15, .767 10 .036 20, .379 1. .00 26, .28 C

ATOM 663 CG PHE A 200 14, .898 10 .640 21, .456 1. .00 23, .01 C

ATOM 664 CDI PHE A 200 14. .035 11, .682 21. .166 1. .00 23. .32 C

ATOM •665 CD2 PHE A 200 14, .940 10 .156 22 .752 1. .00 18, .89 C

ATOM 666 CEl PHE A 200 13, .229 12 .241 22, .143 1. .00 24, .86 c

ATOM 667 CE2 PHE A 200 14, .144 10 .716 23, .732 1. .00 22, .80 c

ATOM 668 CZ PHE A 200 13 .282 11 .759 23 .444 1, .00 22 .27 c

ATOM 669 N ARG A 201 19 .189 10 .123 19, .443 1. .00 25, .38 N

ATOM 670 CA ARG A 201 20, .240 9 .508 18, .639 1. .00 27, .34 c

ATOM 671 C ARG A 201 21, .167 8, .643 19, .481 1. .00 26, .95 c

ATOM 672 O ARG A 201 21, .536 9 .106 20, .559 1. .00 25, .64 0

ATOM 673 CB ARG A 201 21, .069 10 .615 17, .976 1. .00 25, .35 c ATOM 674 CG ARG A 201 20.309 11.552 17.055 1,.00 22.98 C

ATOM 675 CD ARG A 201 21, .228 12, .603 16, .446 1. .00 25, .80 C

ATOM 676 NE ARG A 201 21 .938 13 .406 17 .414 1. .00 27, .69 N

ATOM 677 CZ ARG A 201 21 .548 14 .414 18 .164 1, .00 27 .80 C

ATOM 678 NHl ARG A 201 20, .302 14, .869 18, .124 1. .00 28, .35 N

ATOM 679 NH2 ARG A 201 22 .405 15 .004 18 .994 1. .00 26, .84 N

ATOM 680 N GLU A 202 21 .511 7 .435 19 .056 1, .00 25 .54 N

ATOM 681 CA GLU A 202 22, .297 6, .517 19, .858 1. .00 24, .69 C

ATOM 682 C GLU A 202 21 .763 6, .410 21, .288 1. .00 26, .21 C

ATOM 683 O GLU A 202 22 .484 6 .619 22, .276 1. .00 27, .64 O

ATOM 684 CB GLU A 202 23 .791 6 .884 19 .943 1, .00 28, .28 C

ATOM 685 CG GLU A 202 24 .642 5, .643 20, .199 1. .00 35, .46 c

ATOM 686 CD GLU A 202 26 .142 5, .832 20, .155 1. .00 40, .01 c

ATOM 687 OEl GLU A 202 26 .656 6 .960 20 .257 1. .00 40, .00 0

ATOM 688 OE2 GLU A 202 26, .881 4, .823 20, .023 1. .00 39, .36 0

ATOM 689 N ARG A 203 20 .498 6, .009 21, .435 1. .00 23, .55 N

ATOM 690 CA ARG A 203 19 .877 5, .880 22, .744 1. .00 22, .04 C

ATOM 691 C ARG A 203 19, .079 4, .577 22. .840 1. .00 23, .50 c

ATOM 692 O ARG A 203 18, .415 4, .231 21, .863 1. .00 21, .99 0

ATOM 693 CB ARG A 203 18 .926 7, .051 23, .014 1. .00 21, .35 c

ATOM 694 CG ARG A 203 19, .544 8, .403 23. .388 1. .00 22. .04 c

ATOM 695 CD ARG A 203 18, .511 9, .492 23, .650 1. .00 22. .90 c

ATOM 696 NE ARG A 203 19, .134 10, .810 23, .822 1. .00 26. .45 N

ATOM 697 CZ ARG A 203 19 .539 11, .281 25, .009 1. .00 30. .95 C

ATOM 698 NHl ARG A 203 19, .389 10. .565 26. .124 1. .00 25. .50 N

ATOM 699 NH2 ARG A 203 20, .112 12, .479 25, .095 1. .00 28. .29 N

ATOM 700 N VAL A 204 19 .026 3, .977 24, .012 1. .00 20. .63 N

ATOM 701 CA VAL A 204 18, .134 2. .861 24, .303 1. .00 22. .36 C

ATOM 702 C VAL A 204 16, .747 3. .475 24, .534 1. .00 22. .46 C

ATOM 703 O VAL A 204 16, .667 4, .420 25, .333 1. .00 22. .22 O

ATOM 704 CB VAL A 204 18, .542 2. .062 25. .550 1. .00 20. .05 C

ATOM 705 CGI VAL A 204 17, .503 0. .971 25. .891 1. .00 18. .56 C

ATOM 706 CG2 VAL A 204 19, .895 1. .391 25, .288 1. .00 21. .63 C

ATOM 707 N MET A 205 15, .747 3. .004 23. .798 1. .00 19. .93 N

ATOM 708 CA MET A 205 14, .455 3. .671 23. .804 1. .00 16. .86 C

ATOM 709 C MET A 205 13, .395 2. .942 24, .616 1. .00 20. .07 C

ATOM 710 O MET A 205 13, .277 1, .714 24, .591 1. .00 20. .64 0

ATOM 711 CB MET A 205 13, .955 3, .893 22. .363 1. .00 18. .18 c

ATOM 712 CG MET A 205 14, .901 4, .690 21. .464 1. .00 19. .30 c

ATOM 713 SD MET A 205 15, .079 6, .399 22. .015 1. .00 16. .00 s

ATOM 714 CE MET A 205 13, .457 7, .067 21. .660 1. .00 19. .13 c

ATOM 715 N PHE A 206 12, .669 3. .703 25. .417 1. .00 18. .65 N

ATOM 716 CA PHE A 206 11, .642 3, .198 26. .321 1. .00 20. .42 C

ATOM 717 C PHE A 206 10. .310 3. .836 25. .950 1. .00 19. .87 C

ATOM 718 O PHE A 206 9. .949 4. .899 26. .428 1. .00 20. .70 0

ATOM 719 CB PHE A 206 11, .967 3. .532 27. .786 1. .00 18. .88 c

ATOM 720 CG PHE A 206 13. .282 2. .997 28. .288 1. .00 22. .28 c

ATOM 721 CDI PHE A 206 14. .481 3. .596 27. .943 1. .00 22. .41 c

ATOM 722 CD2 PHE A 206 13. .303 1. .876 29. .107 1. .00 19. .59 c

ATOM 723 CEl PHE A 206 15. .682 3. .076 28. .414 1. .00 25. .31 c

ATOM 724 CE2 PHE A 206 14. .487 1. .355 29. .584 1. .00 20. .72 c

ATOM 725 CZ PHE A 206 15. .681 1. .959 29. .239 1. .00 25. .15 c

ATOM 726 N PRO A 207 9. .518 3. .155 25. .117 1. .00 21. .49 N

ATOM 727 CA PRO A 207 8. .239 3. .698 24. .700 1. .00 19. .83 C

ATOM 728 C PRO A 207 7. .313 3. .862 25. .888 1. .00 21. .67 c

ATOM 729 O PRO A 207 7. .324 3. ,010 26. .786 1. .00 21. .70 o

ATOM 730 CB PRO A 207 7. ,718 2. .644 23. .721 1. 00 22. 05 c ATOM 731 CG PRO A 207 8.415 1.379 24.,091 1.00 21.41 C

ATOM 732 CD PRO A 207 9. 800 1. 846 24. ,500 1. 00 20. ,44 c

ATOM 733 N ILE A 208 6. ,538 4. 942 25. .940 1. 00 21. 62 N

ATOM 734 CA ILE A 208 5. ,575 5. 118 27. .033 1. 00 23. ,88 C

ATOM 735 C ILE A 208 4. ,202 4. .841 26. .429 1. 00 24. ,37 C

ATOM 736 O ILE A 208 3. ,874 5. .484 25. .423 1. ,00 23. ,62 O

ATOM 737 CB ILE A 208 5. .607 6. .567 27. .571 1. .00 28. .57 c

ATOM 738 CGI ILE A 208 7. .039 6. .909 27. .966 1. ,00 32. .72 c

ATOM 739 CG2 ILE A 208 4. .616 6. .736 28. .713 1. ,00 27. .56 c

ATOM 740 CDI ILE A 208 7. .417 8. .368 27. .919 1. .00 31. .65 c

ATOM 741 N ARG A 209 3. .459 3. .898 26. .986 1. .00 25. .61 N

ATOM 742 CA ARG A 209 2. .176 3. .546 26. .383 1. .00 27. .34 C

ATOM 743 C ARG A 209 0. .979 3. .908 27. .257 1. .00 30. .62 C

ATOM 744 O ARG A 209 1. .104 3. .916 28. .474 1. .00 29. .55 0

ATOM 745 CB ARG A 209 2. .228 2. .051 26. .078 1. .00 22. .53 c

ATOM 746 CG ARG A 209 3. .263 1. .682 25. .029 1. .00 23. .54 c

ATOM 747 CD ARG A 209 3. .411 0. .186 24. .817 1. .00 26. .48 c

ATOM 748 NE ARG A 209 4. .209 -0. .436 25. .866 1. .00 25. .95 N

ATOM 749 CZ ARG A 209 4. .536 -1. .726 25, .866 1. .00 20. .31 C

ATOM 750 NHl ARG A 209 4. .158 -2. .536 24, .878 1. .00 20. .81 N

ATOM 751 NH2 ARG A 209 5. .231 -2. .175 26, .891 1. .00 21. .45 N

ATOM 752 N ASP A 210 -0. .142 4. .250 26, .623 1. .00 31. .09 N

ATOM 753 CA ASP A 210 -1. .358 4. .575 27, .375 1. .00 36. .39 C

ATOM 754 C ASP A 210 -2, .042 3, .292 27, .840 1. .00 36. .83 C

ATOM 755 O ASP A 210 -1, .474 2, .211 27 .682 1. .00 34, .53 O

ATOM 756 CB ASP A 210 -2, .318 5. .423 26, .538 1. .00 33. .36 C

ATOM 757 CG ASP A 210 -2, .943 4. .714 25, .373 1. .00 31. .49 C

ATOM 758 ODl ASP A 210 -2, .862 3. .467 25, .274 1. .00 29. .91 O

ATOM 759 OD2 ASP A 210 -3. .531 5, .398 24, .500 1. .00 36. .87 O

ATOM 760 N LYS A 211 -3, .282 3, .395 28, .318 1. .00 39. .72 N

ATOM 761 CA LYS A 211 -4, .006 2, .259 28 .860 1. .00 38, .82 C

ATOM 762 C LYS A 211 -4 .442 1, .276 27 .788 1. .00 37, .08 C

ATOM 763 O LYS A 211 -4 .615 0, .100 28 .115 1. .00 36, .34 O

ATOM 764 CB LYS A 211 -5 .219 2, .682 29 .696 1. .00 51, .70 C

ATOM 765 CG LYS A 211 -6 .320 3 .394 28 .926 1, .00 56, .88 C

ATOM 766 CD LYS A 211 -7 .445 3 .829 29 .853 1, .00 62, .73 C

ATOM 767 CE LYS A 211 -8 .284 4 .929 29 .217 1, .00 67 .61 c

ATOM 768 NZ LYS A 211 -9 .293 5 .491 30 .165 1, .00 70 .63 N

ATOM 769 N ARG A 212 -4 .528 1 .707 26 .540 1, .00 36 .01 N

ATOM 770 CA ARG A 212 -4 .851 0, .804 25 .438 1, .00 35, .58 C

ATOM 771 C ARG A 212 -3 .623 0, .164 24 .815 1, .00 35, .95 C

ATOM 772 O ARG A 212 -3 .740 -0 .563 23 .816 1, .00 36, .07 O

ATOM 773 CB ARG A 212 -5 .656 1 .566 24 .369 1, .00 37 .20 C

ATOM 774 CG ARG A 212 -6 .986 2 .032 24 .947 1, .00 44 .40 C

ATOM 775 CD ARG A 212 -7 .857 2 .799 23 .986 1, .00 42 .36 C

ATOM 776 NE ARG A 212 -8 .064 2 .141 22 .699 1 .00 41 .73 N

ATOM 777 CZ ARG A 212 -8 .854 2 .697 21 .772 1 .00 43 .42 C

ATOM 778 NHl ARG A 212 -9 .445 3 .857 22 .045 1 .00 41 .51 N

ATOM 779 NH2 ARG A 212 -9 .021 2 .083 20 .613 1 .00 41 .73 N

ATOM 780 N GLY A 213 -2 .421 0 .476 25 .315 1 .00 32 .68 N

ATOM 781 CA GLY A 213 -1 .211 -0 .098 24 .740 1 .00 29 .09 C

ATOM 782 C GLY A 213 -0 .617 0 .732 23 .619 1 .00 28 .59 C

ATOM 783 O GLY A 213 0 .340 0 .294 22 .962 1 .00 30 .56 O

ATOM 784 N ARG A 214 -1 .151 1 .916 23 .354 1, .00 27 .80 N

ATOM 785 CA ARG A 214 -0 .657 2 .763 22 .274 1, .00 28 .50 C

ATOM 786 C ARG A 214 0 .585 3 .546 22 .677 1, .00 26 .33 C

ATOM 787 O ARG A 214 0 .529 4 .200 23 .711 1 .00 27 .15 O ATOM 788 CB ARG A 214 -1..718 3..807 21.,859 1.00 31..04 C

ATOM 789 CG ARG A 214 -2. .970 3. .124 21. ,302 1. 00 40. .79 C

ATOM 790 CD ARG A 214 -3. .960 4. .166 20. ,786 1. 00 35. .36 C

ATOM 791 NE ARG A 214 -4. .576 4. .859 21. ,904 1. .00 40. .43 N

ATOM 792 CZ ARG A 214 -5. .722 5. .538 21. ,856 1. .00 45. .80 C

ATOM 793 NHl ARG A 214 -6. .408 5. .639 20. .727 1. .00 42. .11 N

ATOM 794 NH2 ARG A 214 -6. .147 6. .109 22. .975 1. .00 46. .13 N

ATOM 795 N VAL A 215 1. .616 3. .562 21. .833 1. ,00 28. .48 N

ATOM 796 CA VAL A 215 2. .783 4. .396 22. .137 1. .00 26. .07 C

ATOM 797 C VAL A 215 2. .402 5. .870 22. .038 1. ,00 27. .44 C

ATOM 798 O VAL A 215 1. .913 6. .325 20. .987 1. .00 28. .50 O

ATOM 799 CB VAL A 215 3. .975 4. .111 21. .221 1. .00 25. .35 C

ATOM 800 CGI VAL A 215 5. .141 5. .043 21. .574 1. .00 24. .00 C

ATOM 801 CG2 VAL A 215 4. .423 2. .649 21. .316 1. .00 27. .84 C

ATOM 802 N ILE A 216 2. .604 6. .630 23. .113 1. ,00 24. .57 N

ATOM 803 CA ILE A 216 2. .320 8. .055 23. .117 1. .00 27. .29 C

ATOM 804 C ILE A 216 3. .558 8. .915 23. .354 1. .00 27. .93 C

ATOM 805 0 ILE A 216 3. .466 10. .147 23. .289 1. .00 27. .51 O

ATOM 806 CB ILE A 216 1. .288 8. .456 24. .211 1. .00 27. .80 C

ATOM 807 CGI ILE A 216 1, .798 8. .040 25. .585 1. .00 27, .92 C

ATOM 808 CG2 ILE A 216 -0. .063 7. .823 23. .913 1. .00 31. .24 c

ATOM 809 CDI ILE A 216 0. .966 8, .454 26. .774 1. .00 32. .15 c

ATOM 810 N GLY A 217 4. .709 8. .325 23. .659 1. .00 25. .90 N

ATOM 811 CA GLY A 217 5. .917 9. .119 23. .946 1. .00 23. .93 c

ATOM 812 C GLY A 217 7, .083 8, .174 24. .249 1. .00 25, .09 C

ATOM 813 O GLY A 217 6. .929 6. .944 24. .168 1. .00 21. .64 O

ATOM 814 N PHE A 218 8, .287 8, .729 24. .430 1. .00 22. .88 N

ATOM 815 CA PHE A 218 9, .472 7, .937 24, .641 1. .00 23, .09 C

ATOM 816 C PHE A 218 10. .417 8. .537 25. .689 1. .00 27. .11 C

ATOM 817 O PHE A 218 10, .706 9, .734 25, .680 1. .00 28, .35 0

ATOM 818 CB PHE A 218 10. .358 7, .769 23. .391 1. .00 23. .85 c

ATOM 819 CG PHE A 218 9, .731 7, .055 22. .217 1. .00 24. .13 c

ATOM 820 CDI PHE A 218 9, .107 7, .796 21, .224 1. .00 24, .36 c

ATOM 821 CD2 PHE A 218 9, .759 5, .673 22. .117 1. .00 22. .61 c

ATOM 822 CEl PHE A 218 8, .518 7, .145 20, .148 1. .00 30, .62 c

ATOM 823 CE2 PHE A 218 9, .164 5, .029 21. .050 1. .00 20. .40 c

ATOM 824 CZ PHE A 218 8, .537 5, .767 20, .051 1. .00 19. .73 c

ATOM 825 N GLY A 219 11, .059 7 .625 26, .416 1. .00 24, .49 N

ATOM 826 CA GLY A 219 12, .204 7, .971 27, .262 1. .00 21. .27 C

ATOM 827 C GLY A 219 13, .399 7, .400 26, .478 1. .00 23, .81 C

ATOM 828 O GLY A 219 13 .229 6 .406 25, .746 1. .00 23, .73 0

ATOM 829 N GLY A 220 14, .569 7, .998 26, .569 1. .00 22, .61 N

ATOM 830 CA GLY A 220 15 .729 7 .466 25, .829 1. .00 18, .98 C

ATOM 831 C GLY A 220 16, .980 7, .617 26, .688 1. .00 21. .30 C

ATOM 832 O GLY A 220 17, .259 8 .726 27, .147 1. .00 23, .04 O

ATOM 833 N ARG A 221 17 .805 6 .587 26, .765 1. .00 21, .64 N

ATOM 834 CA ARG A 221 19, .024 6, .640 27, .567 1. .00 21, .45 C

ATOM 835 C ARG A 221 20 .252 6 .597 26 .675 1. .00 21, .81 C

ATOM 836 O ARG A 221 20 .349 5 .736 25 .800 1, .00 21 .14 O

ATOM 837 CB ARG A 221 19, .038 5 .501 28, .600 1. .00 26, .64 C

ATOM 838 CG ARG A 221 20 .292 5 .559 29 .484 1, .00 28, .24 c

ATOM 839 CD ARG A 221 21, .075 4, .263 29, .464 1. .00 31, .04 c

ATOM 840 NE ARG A 221 21, .850 4 .152 30, .714 1. .00 46, .48 N

ATOM 841 CZ ARG A 221 23 .076 4 .631 30, .900 1, .00 47, .58 C

ATOM 842 NHl ARG A 221 23, .722 5. .263 29, .926 1. .00 48, .18 N

ATOM 843 NH2 ARG A 221 23, .664 4 .473 32, .078 1. .00 50, .11 N

ATOM 844 N VAL A 222 21 .156 7 .585 26, .818 1, .00 23, .88 N ATOM 845 CA VAL A 222 22..309 7..655 25,.937 1.,00 24..75 C

ATOM 846 C VAL A 222 23, .253 6. .462 26, .095 1, ,00 25. .63 c

ATOM 847 O VAL A 222 23. .537 6. .009 27, .202 1. .00 27. .96 0

ATOM 848 CB VAL A 222 23. .213 8. .907 26, .123 1. .00 31. .77 c

ATOM 849 CGI VAL A 222 22, .510 10. .184 25, .757 1, .00 38. .27 c

ATOM 850 CG2 VAL A 222 23. .775 9. .025 27. .540 1. .00 28. .99 c

ATOM 851 N LEU A 223 23, .901 6. .086 25, .018 1. .00 27. .41 N

ATOM 852 CA LEU A 223 24, .920 5. .037 25, .009 1. .00 35. .02 C

ATOM 853 C LEU A 223 26, .277 5. .690 24, .717 1. .00 39. .56 C

ATOM 854 O LEU A 223 27. .367 5. .140 24. .832 1. .00 43. .59 O

ATOM 855 CB LEU A 223 24, .613 3. .945 23, .989 1. .00 38. .09 C

ATOM 856 CG LEU A 223 23, .451 3. .014 24, .356 1. .00 43. .56 c

ATOM 857 CDI LEU A 223 23. .088 2. .086 23, .212 1. .00 46. .97 c

ATOM 858 CD2 LEU A 223 23, .789 2. .182 25, .583 1. .00 49. .13 c

ATOM 859 N GLY A 224 26, .200 6. .946 24, .348 1. .00 42. .66 N

ATOM 860 CA GLY A 224 27, .364 7, .782 24, .102 1. .00 49, .01 C

ATOM 861 C GLY A 224 27, .641 8. .750 25, .249 1. .00 49. .31 C

ATOM 862 O GLY A 224 27, .546 8, .476 26, .444 1. .00 51. .65 O

ATOM 863 N ASN A 225 28 .047 9, .939 24, .839 1. .00 52. .56 N

ATOM 864 CA ASN A 225 28, .485 11, .008 25. .723 1. .00 53. .58 C

ATOM 865 C ASN A 225 27, .521 12, .187 25, .769 1. .00 51. .54 C

ATOM 866 O ASN A 225 27, .751 13. .187 26, .456 1. .00 51. .97 O

ATOM 867 CB ASN A 225 29 .823 11, .549 25, .172 1. .00 61. .94 C

ATOM 868 CG ASN A 225 29, .659 11, .962 23, .718 1. .00 67. .55 C

ATOM 869 ODl ASN A 225 28, .582 11, .829 23, .130 1. .00 70. .11 O

ATOM 870 ND2 ASN A 225 30 .741 12, .461 23, .142 1. .00 72. .17 N

ATOM 871 N ASP A 226 26, .488 12. .109 24, .933 1. .00 46. .47 N

ATOM 872 CA ASP A 226 25, .506 13. .160 24, .809 1. .00 40. .16 C

ATOM 873 C ASP A 226 24, .645 13, .385 26, .039 1. .00 34. .41 C

ATOM 874 O ASP A 226 24 .721 12, .627 26, .996 1. .00 34. .74 O

ATOM 875 CB ASP A 226 24, .611 12. .950 23, .578 1. .00 43. .67 C

ATOM 876 CG ASP A 226 24 .152 14. .343 23, .160 1. .00 50. .11 C

ATOM 877 ODl ASP A 226 24 .843 15. .300 23, .582 1. .00 56. .45 O

ATOM 878 OD2 ASP A 226 23, .132 14. .534 22, .483 1. .00 46. .47 O

ATOM 879 N THR A 227 23, .885 14. .490 26, .061 1. .00 31. . 66 N

ATOM 880 CA THR A 227 23 .117 14. .828 27, .257 1. .00 29, .71 C

ATOM 881 C THR A 227 21 .655 14, .979 26, .954 1. .00 29, .05 C

ATOM 882 O THR A 227 21 .730 15. .588 25, .869 1. .00 29. .27 0

ATOM 883 CB THR A 227 23 .653 15, .981 28, .135 1. .00 27. .45 c

ATOM 884 OGl THR A 227 23 .816 17, .180 27, .374 1. .00 25, .37 0

ATOM 885 CG2 THR A 227 24, .972 15. .574 28, .773 1. .00 26. .74 c

ATOM 886 N PRO A 228 20 .850 15, .383 27, .918 1. .00 27. .59 N

ATOM 887 CA PRO A 228 20 .630 14, .656 29, .140 1. .00 26. .63 C

ATOM 888 C PRO A 228 20 .816 13, .155 28, .952 1, .00 26, .31 C

ATOM 889 O PRO A 228 20, .475 12. .556 27, .930 1. .00 25. .20 O

ATOM 890 CB PRO A 228 19 .336 15, .070 29, .808 1. .00 25. .78 c

ATOM 891 CG PRO A 228 18 .595 15, .784 28, .742 1. .00 27, .51 c

ATOM 892 CD PRO A 228 19, .440 15, .624 27, .517 1. .00 25. .10 c

ATOM •893 N LYS A 229 21 .385 12, .538 29, .978 1. .00 22. .76 N

ATOM 894 CA LYS A 229 21 .619 11, .096 30, .008 1. .00 25. .29 c

ATOM 895 C LYS A 229 20 .268 10, .386 29 .808 1. .00 25. .06 c

ATOM 896 O LYS A 229 20, .190 9, .468 29, .002 1. .00 23. .30 0

ATOM 897 CB LYS A 229 22 .286 10, .736 31, .325 1. .00 26. .89 c

ATOM 898 CG LYS A 229 21 .866 9, .379 31, .854 1. .00 41. .24 c

ATOM 899 CD LYS A 229 22, .919 8. .335 31, .541 1. .00 45. .85 c

ATOM 900 CE LYS A 229 23, .768 8. .115 32, .786 1. .00 49. .06 c

ATOM 901 NZ LYS A 229 24, .485 6, .815 32, .683 1. .00 51. .51 N ATOM 902 N TYR A 230 19.,257 10..821 30..539 1..00 23..20 N

ATOM 903 CA TYR A 230 17. .893 10. .358 30. .349 1. .00 25. .79 C

ATOM 904 C TYR A 230 17. .060 11. .495 29, .767 1. .00 23, .83 C

ATOM 905 O TYR A 230 16. .968 12. .549 30, .403 1. .00 24, .83 O

ATOM 906 CB TYR A 230 17. .237 9. .923 31, .684 1. .00 29, .60 C

ATOM 907 CG TYR A 230 17. .701 8. .533 32, .049 1. .00 33, .66 C

ATOM 908 CDI TYR A 230 18. .639 8. .306 33, .040 1. .00 37, .58 C

ATOM 909 CD2 TYR A 230 17. .188 7. .447 31. .343 1. .00 36, .83 C

ATOM 910 CEl TYR A 230 19. .046 7. .010 33. .330 1. .00 37, .99 C

ATOM 911 CE2 TYR A 230 17. .587 6. .155 31. .621 1. .00 37. .40 C

ATOM 912 CZ TYR A 230 18. .520 5. .957 32. .620 1. .00 38, .18 C

ATOM 913 OH TYR A 230 18. .903 4. .667 32, .884 1. .00 40, .97 O

ATOM 914 N LEU A 231 16. .536 11. .343 28, .570 1. .00 23, .31 N

ATOM 915 CA LEU A 231 15. .739 12. .328 27, .879 1. .00 22, .44 C

ATOM 916 C LEU A 231 14. .312 11. .854 27, .644 1. .00 23, .87 c

ATOM 917 O LEU A 231 14. .093 10. .737 27. .120 1. .00 25, .59 o

ATOM 918 CB LEU A 231 16. .396 12. .607 26. .496 1. .00 24. .16 c

ATOM 919 CG LEU A 231 15. .702 13. .637 25. .603 1. .00 26. .03 c

ATOM 920 CDI LEU A 231 15. .655 15. .002 26. .282 1. .00 28. .55 c

ATOM 921 CD2 LEU A 231 16. .394 13, .744 24, .245 1. .00 26, .63 c

ATOM 922 N ASN A 232 13. .316 12. .654 28, .037 1. .00 23, .23 N

ATOM 923 CA ASN A 232 11. .927 12, .315 27, .780 1. .00 24, .46 C

ATOM 924 C ASN A 232 11. .389 13, .168 26, .627 1. .00 27, .39 C

ATOM 925 O ASN A 232 11. .739 14. .356 26, .560 1. .00 25, .35 O

ATOM 926 CB ASN A 232 11. .052 12. .514 29, .004 1. .00 30, .29 c

ATOM 927 CG ASN A 232 11. .529 11. .766 30, .231 1. .00 34, .79 c

ATOM 928 ODl ASN A 232 11. .312 12. .183 31, .367 1. .00 38. .97 0

ATOM 929 ND2 ASN A 232 12. .203 10. .649 30, .014 1. .00 36. .30 N

ATOM 930 N SER A 233 10. .548 12, .586 25, .768 1. .00 24, .29 N

ATOM 931 CA SER A 233 9. .932 13, .417 24, .721 1. .00 23, .98 C

ATOM 932 C SER A 233 8, .982 14, .394 25, .397 1. .00 26, .56 C

ATOM 933 O SER A 233 8, .393 14, .076 26, .435 1. .00 25, .99 O

ATOM 934 CB SER A 233 9, .234 12, .545 23, .687 1. .00 23, .97 C

ATOM 935 OG SER A 233 8. .176 11, .804 24, .283 1. .00 23, .55 O

ATOM 936 N PRO A 234 8. .753 15. .560 24, .788 1. .00 27. .39 N

ATOM 937 CA PRO A 234 7. .901 16. .585 25. .371 1. .00 27. .76 C

ATOM 938 C PRO A 234 6, .413 16, .300 25, .410 1. .00 25, .88 C

ATOM 939 O PRO A 234 5, .895 15, .431 24, .725 1. .00 22, .94 O

ATOM 940 CB PRO A 234 8, .161 17, .820 24, .488 1. .00 28, .82 C

ATOM 941 CG PRO A 234 8, .650 17, .279 23, .189 1. .00 29, .74 c

ATOM 942 CD PRO A 234 9, .412 16, .007 23, .538 1. .00 26, .83 c

ATOM 943 N GLU A 235 5, .646 17, .117 26. .137 1. .00 28, .67 N

ATOM 944 CA GLU A 235 4, .203 17, .034 26. .141 1. .00 30, .27 C

ATOM 945 C GLU A 235 3, .586 17, .326 24. .778 1. .00 29, .66 C

ATOM 946 O GLU A 235 4, .051 18, .155 24. .013 1. .00 26. .95 O

ATOM 947 CB GLU A 235 3, .538 17, .938 27. .209 1. .00 34, .67 C

ATOM 948 CG GLU A 235 3, .132 16, .989 28, .350 1, .00 47, .36 C

ATOM 949 CD GLU A 235 2, .112 17, .520 29, .318 1, .00 43, .72 C

ATOM .950 OEl GLU A 235 0, .967 17, .837 28, .948 1. .00 49, .68 O

ATOM 951 OE2 GLU A 235 2, .481 17, .619 30, .506 1, .00 48, .87 0

ATOM 952 N THR A 236 2, .526 16, .598 24. .480 1, .00 30, .53 N

ATOM 953 CA THR A 236 1, .807 16, .760 23. .208 1, .00 34, .76 C

ATOM 954 C THR A 236 0. .328 16, .566 23, .488 1. .00 33. .05 C

ATOM 955 O THR A 236 -0, .013 16, .186 24, .615 1, .00 32, .84 O

ATOM 956 CB THR A 236 2, .351 15, .752 22, .182 1. .00 37, .41 C

ATOM 957 OGl THR A 236 3, .770 15, .979 22, .017 1. .00 36, .97 O

ATOM 958 CG2 THR A 236 1, .780 15. .995 20, .792 1. .00 45, .83 C ATOM 959 N ASP A 237 - 0 . 523 16 . 584 22 .487 1 . 00 35 . 01 N

ATOM 960 CA ASP A 237 1 944 16 323 22 612 1 00 37 00 C

ATOM 961 C ASP A 237 2 212 14 909 23 102 1 00 37 92 C

ATOM 962 O ASP A 237 3 260 14 657 23 696 1 00 37 05 O

ATOM 963 CB ASP A 237 2 624 16 561 21 251 1 00 43 56 C

ATOM 964 CG ASP A 237 2 720 18 050 20 945 1 00 52 05 C

ATOM 965 ODl ASP A 237 3 007 18 783 21 918 1 00 46 65 O

ATOM 966 OD2 ASP A 237 2 520 18 499 19 794 1 00 53 12 O

ATOM 967 N ILE A 238 1 320 13 957 22 788 1 00 35 50 N

ATOM 968 CA ILE A 238 1 543 12 580 23 204 1 00 34 06 C

ATOM 969 C ILE A 238 0 708 12 190 24 417 1 00 35 28 C

ATOM 970 O ILE A 238 0 909 11 121 24 998 1 00 33 67 O

ATOM 971 CB ILE A 238 1 277 11 618 22 030 1 00 34 63 C

ATOM 972 CGI ILE A 238 0 206 11 598 21 636 1 00 24 48 C

ATOM 973 CG2 ILE A 238 2 149 12 014 20 836 1 00 32 28 c

ATOM 974 CDI ILE A 238 0 534 10 491 20 641 1 00 23 75 c

ATOM 975 N PHE A 239 0 185 13 077 24 849 1 00 33 17 N

ATOM 976 CA PHE A 239 1 094 12 769 25 945 1 00 34 40 C

ATOM 977 C PHE A 239 1 154 13 865 27 006 1 00 33 25 C

ATOM 978 O PHE A 239 1 775 14 924 26 884 1 00 29 74 O

ATOM 979 CB PHE A 239 2 484 12 461 25 382 1 00 34 49 C

ATOM 980 CG PHE A 239 3 558 12 051 26 349 1 00 31 34 C

ATOM 981 CDI PHE A 239 3 .272 11 291 27 .475 1 00 33 60 C

ATOM 982 CD2 PHE A 239 4 .872 12 .425 26 126 1 00 30 72 C

ATOM 983 CEl PHE A 239 4 265 10 919 28 363 1 00 30 81 c

ATOM 984 CE2 PHE A 239 5 879 12 071 27 006 1 00 28 69 c

ATOM 985 CZ PHE A 239 5 575 11 310 28 118 1 00 34 27 c

ATOM 986 N HIS A 240 0 500 13 555 28 134 1 00 31 84 N

ATOM 987 CA HIS A 240 0 507 14 485 29 266 1 00 32 54 C

ATOM 988 C HIS A 240 1 152 13 804 30 460 1 00 30 73 C

ATOM 989 O HIS A 240 0 .599 12 877 31 066 1 00 28 94 0

ATOM 990 CB HIS A 240 0 .891 14 988 29 624 1 00 35 35 c

ATOM 991 CG HIS A 240 1 .496 15 898 28 601 1 00 41 48 c

ATOM 992 NDl HIS A 240 2 .486 15 487 27 736 1 00 40 78 N

ATOM 993 CD2 HIS A 240 1 .242 17 .203 28 .310 1 00 43 90 C

ATOM 994 CEl HIS A 240 2 .822 16 .490 26 950 1 00 47 41 C

ATOM 995 NE2 HIS A 240 2 .081 17 .542 27 .272 1 00 49 41 N

ATOM 996 N LYS A 241 2 .311 14 .332 30 .842 1 00 30 69 N

ATOM 997 CA LYS A 241 3 .105 13 .760 31 .922 1 00 32 42 C

ATOM 998 C LYS A 241 2 .436 13 785 33 282 1 00 32 80 C

ATOM 999 i O LYS A 241 2 .755 12 .970 34 149 1 00 34 06 0

ATOM 1000 CB LYS A 241 4 .467 14 .484 31 .955 1 00 35 02 C

ATOM 1001 CG LYS A 241 5 .284 14 .185 30 703 1 00 41 94 C

ATOM 1002 CD LYS A 241 6 .639 14 .888 30 674 1 00 41 64 c

ATOM 1003 CE LYS A 241 7 .280 14 .698 29 .309 1 00 39 21 c

ATOM 1004 NZ LYS A 241 8 .584 15 .386 29 .160 1 00 46 00 N

ATOM 1005 N GLY A 242 1 .511 14 .711 33 .518 1 00 33 46 N

ATOM 1006 CA GLY A 242 0 .766 14 .807 34 .747 1 00 35 36 C

ATOM 1007 C GLY A 242 0 .361 13 .793 34 .856 1 00 35 04 C

ATOM 1008 O GLY A 242 0 .944 13 .706 35 .942 1 00 35 00 O

ATOM 1009 N ARG A 243 0 .717 13 .075 33 .798 1 00 34 39 N

ATOM 1010 CA ARG A 243 1 .778 12 .086 33 .867 1 00 37 58 C

ATOM 1011 C ARG A 243 1 .366 10 .708 33 .370 1 00 35 87 C

ATOM 1012 O ARG A 243 2 .253 9 918 33 003 1 00 41 09 O

ATOM 1013 CB ARG A 243 3 .044 12 524 33 118 1 00 47 06 C

ATOM 1014 CG ARG A 243 2 847 13 340 31 864 1 00 56 82 C

ATOM 1015 CD ARG A 243 4 .141 14 008 31 417 1 00 65 07 c ATOM 1016 NE ARG A 243 4..857 14..640 32,.515 1..00 69..43 N

ATOM 1017 CZ ARG A 243 5. .840 15. .522 32, .398 1. .00 72. .15 C

ATOM 1018 NHl ARG A 243 6. .254 15, .918 31, .201 1. .00 73. .83 N

ATOM 1019 NH2 ARG A 243 6. .416 16. .019 33, .487 1. .00 74. .38 N

ATOM 1020 N GLN A 244 0. .081 10. .473 33. .180 1. .00 32. .07 N

ATOM 1021 CA GLN A 244 0. .372 9. .152 32. .729 1. .00 31. .52 C

ATOM 1022 C GLN A 244 1. .457 8. .671 33. .704 1. .00 28. .40 C

ATOM 1023 O GLN A 244 2, .098 9, .443 34, .423 1. .00 24, .35 0

ATOM 1024 CB GLN A 244 0, .887 9, .153 31, .300 1. .00 38, .22 c

ATOM 1025 CG GLN A 244 0. .019 9, .679 30, .185 1. .00 41, .53 c

ATOM 1026 CD GLN A 244 1. .118 8. .781 29, .756 1. .00 45, .19 c

ATOM 1027 OEl GLN A 244 1. .207 7. .615 30, .119 1. .00 45. .77 o

ATOM 1028 NE2 GLN A 244 2. .019 9. .338 28. .949 1. .00 43. .41 N

ATOM 1029 N LEU A 245 1. .556 7. .362 33. .856 1. .00 26. .10 N

ATOM 1030 CA LEU A 245 2, .523 6, .727 34, .733 1. .00 23, .48 c

ATOM 1031 C LEU A 245 3, .211 5, .616 33, .942 1. .00 26, .00 c

ATOM 1032 O LEU A 245 2. .548 4, .674 33, .484 1. .00 24, .95 O

ATOM 1033 CB LEU A 245 1, .853 6. .113 35, .968 1. .00 26, .08 C

ATOM 1034 CG LEU A 245 1, .317 7. .152 36. .975 1. .00 27. .48 C

ATOM 1035 CDI LEU A 245 O. .311 6. .530 37. .921 1. .00 27. .42 C

ATOM 1036 CD2 LEU A 245 2. .509 7. .794 37. .691 1. .00 19. .26 C

ATOM 1037 N TYR A 246 4, .523 5, .779 33, .787 1. .00 23, .61 N

ATOM 1038 CA TYR A 246 5, .262 4, .744 33, .076 1. .00 23, .64 C

ATOM 1039 C TYR A 246 5, .130 3, .451 33, .894 1. .00 20, .89 C

ATOM 1040 O TYR A 246 5. .296 3, .478 35, .115 1. .00 21, .42 O

ATOM 1041 CB TYR A 246 6, .732 5. .128 32, .909 1. .00 21. .74 C

ATOM 1042 CG TYR A 246 7. .556 4. .061 32, .210 1. .00 22. .39 C

ATOM 1043 CDI TYR A 246 7, .726 4. .089 30. .829 1. .00 22. .61 C

ATOM 1044 CD2 TYR A 246 8, .154 3, .030 32, .920 1. .00 21, .38 C

ATOM 1045 CEl TYR A 246 8, .468 3, .107 30, .181 1. .00 18, .40 C

ATOM 1046 CE2 TYR A 246 8, .888 2, .052 32, .281 1. .00 20, .59 C

ATOM 1047 CZ TYR A 246 9, .049 2, .104 30, .904 1. .00 22, .06 C

ATOM 1048 OH TYR A 246 9, .800 1. .128 30, .259 1. .00 21. .18 0

ATOM 1049 N GLY A 247 4. .837 2. .359 33. .203 1. .00 20. .07 N

ATOM 1050 CA GLY A 247 4, .710 1. .051 33. .809 1. ,00 21. .50 C

ATOM 1051 C GLY A 247 3, .307 0, .647 34, .220 1. .00 22, .65 C

ATOM 1052 O GLY A 247 3, .084 -0, .524 34, .559 1. .00 22, .45 O

ATOM 1053 N LEU A 248 2, .353 1, .560 34, .279 1. .00 21, .91 N

ATOM 1054 CA LEU A 248 0, .994 1. .158 34. .703 1. .00 23, .21 C

ATOM 1055 C LEU A 248 0, .354 0. .230 33. .672 1. .00 20, .36 C

ATOM 1056 O LEU A 248 0, .284 -0. .767 34. .026 1. .00 21. .44 O

ATOM 1057 CB LEU A 248 0, .125 2. .407 34. .907 1. .00 20. .80 C

ATOM 1058 CG LEU A 248 1, .272 2, .120 35, .473 1. .00 29, .49 c

ATOM 1059 CDI LEU A 248 1, .190 1, .416 36, .818 1. .00 22, .74 c

ATOM 1060 CD2 LEU A 248 2, .073 3, .416 35, .529 1. .00 26, .54 c

ATOM 1061 N TYR A 249 0, .555 0, .541 32, .395 1. .00 22. .06 N

ATOM 1062 CA TYR A 249 0, .057 -0. .348 31, .329 1. .00 23. .98 C

ATOM 1063 C TYR A 249 0, .600 -1. .758 31, .530 1. .00 23. .90 C

ATOM 1064 O TYR A 249 0. .126 -2. .760 31. .591 1. .00 24. .23 0

ATOM 1065 CB TYR A 249 0, .420 0, .178 29. .940 1. .00 23, .19 c

ATOM 1066 CG TYR A 249 0, .174 -0, .853 28, .846 1. .00 27. .04 c

ATOM 1067 CDI TYR A 249 1, .123 -1. .174 28, .469 1. .00 26. .67 c

ATOM 1068 CD2 TYR A 249 1, .235 -1. .489 28. .216 1. .00 30. .58 c

ATOM 1069 CEl TYR A 249 1. .357 -2. .114 27. .481 1. ,00 31. .14 c

ATOM 1070 CE2 TYR A 249 1. .012 -2. .431 27. .223 1. ,00 31. .47 c

ATOM 1071 CZ TYR A 249 0, .285 -2. .734 26. .865 1. ,00 32. .55 c

ATOM 1072 OH TYR A 249 0. .528 -3. .661 25. .886 1. ,00 34. .74 o ATOM 1073 N GLU A 250 1.934 -1.860 31.,648 1.00 19.,52 N

ATOM 1074 CA GLU A 250 2. ,563 -3. 150 31. ,865 1. ,00 21. .77 C

ATOM 1075 C GLU A 250 2. .041 -3. ,867 33. 111 1. ,00 24. .60 C

ATOM 1076 O GLU A 250 1. .846 -5. ,098 33. .112 1. ,00 23. .20 O

ATOM 1077 CB GLU A 250 4. .088 -2. ,987 31. .938 1. ,00 24. .76 c

ATOM 1078 CG GLU A 250 4. .725 -2. ,693 30. .573 1. ,00 23. .72 c

ATOM 1079 CD GLU A 250 4. .730 -1. .203 30. .265 1. .00 28. .24 c

ATOM 1080 OEl GLU A 250 4. .149 -0. .403 31. .035 1. .00 20. .79 o

ATOM 1081 OE2 GLU A 250 5. .318 -0. .830 29. .229 1. .00 26. .49 o

ATOM 1082 N ALA A 251 1. .920 -3. .140 34. .225 1. .00 22. .00 N

ATOM 1083 CA ALA A 251 1. .379 -3. .725 35. .446 1. .00 24. .80 C

ATOM 1084 C ALA A 251 -0. .036 -4. .243 35. .258 1. .00 23. .39 C

ATOM 1085 O ALA A 251 -0. .342 -5. .370 35. .651 1. .00 25. .27 O

ATOM 1086 CB ALA A 251 1, .428 -2. .672 36. .550 1. .00 26. .60 C

ATOM 1087 N GLN A 252 -0, .898 -3. .484 34. .580 1. .00 24. .37 N

ATOM 1088 CA GLN A 252 -2, .298 -3. .858 34. .412 1. .00 28. .20 C

ATOM 1089 C GLN A 252 -2, .540 -4. .948 33. .381 1. .00 31. .95 C

ATOM 1090 O GLN A 252 -3, .609 -5. .562 33. .406 1. .00 31. .18 O

ATOM 1091 CB GLN A 252 -3, .158 -2. .603 34. .156 1. .00 27. .56 C

ATOM 1092 CG GLN A 252 -3, .329 -1. .791 35. .435 1. .00 31. .18 C

ATOM 1093 CD GLN A 252 -4, .350 -0. .677 35. .366 1. .00 34, .17 C

ATOM 1094 OEl GLN A 252 -5. .415 -0. .694 35. .987 1. .00 41. .47 O

ATOM 1095 NE2 GLN A 252 -4. .032 0. .333 34. .578 1. .00 33. .64 N

ATOM 1096 N GLN A 253 -1, .571 -5. .270 32. .523 1. .00 32. .67 N

ATOM 1097 CA GLN A 253 -1, .659 -6. .381 31. .600 1. .00 32. .42 C

ATOM 1098 C GLN A 253 -1, .449 -7. .704 32. .345 1. .00 32. .86 C

ATOM 1099 O GLN A 253 -1, .979 -8. .734 31. .916 1. .00 32. .30 O

ATOM 1100 CB GLN A 253 -0, .669 -6. .287 30. .434 1. .00 30. .28 C

ATOM 1101 CG GLN A 253 -0, .963 -5. .147 29. .473 1. .00 34. .22 C

ATOM 1102 CD GLN A 253 -2, .256 -5. .320 28. .704 1. .00 44. .30 C

ATOM 1103 OEl GLN A 253 -2, .223 -5, .546 27. .494 1. .00 51. .43 O

ATOM 1104 NE2 GLN A 253 -3, .420 -5, .225 29. .339 1. .00 48. .36 N

ATOM 1105 N ASP A 254 -0 .719 -7, .678 33. .462 1. .00 30, .24 N

ATOM 1106 CA ASP A 254 -0 .617 -8, .858 34. .303 1. .00 30. .24 C

ATOM 1107 C ASP A 254 -1 .936 -9, .111 35, .042 1. .00 34, .07 C

ATOM 1108 O ASP A 254 -2 .320 -10, .264 35, .200 1, .00 36, .51 0

ATOM 1109 CB ASP A 254 0 .491 -8, .716 35, .346 1, .00 31, .74 c

ATOM 1110 CG ASP A 254 1 .869 -8 .750 34, .687 1, .00 29, .79 c

ATOM llll ODl ASP A 254 2 .000 -9 .300 33, .587 1, .00 38, .45 0

ATOM 1112 OD2 ASP A 254 2 .809 -8 .210 35, .288 1, .00 34, .64 0

ATOM 1113 N ASN A 255 -2 .509₍ -8 .076 35, .635 1, .00 32, .85 N

ATOM 1114 CA ASN A 255 -3 .763 -8 .142 36, .381 1, .00 34, .17 c

ATOM 1115 C ASN A 255 -4 .294 ,-6, .708 36. .520 1. .00 33. .72 c

ATOM 1116 O ASN A 255 -3 .576 -5, .793 36. .931 1. .00 29. .35 o

ATOM 1117 CB ASN A 255 -3 .589 -8, .812 37, .723 1. .00 37, .95 c

ATOM 1118 CG ASN A 255 -4 .716 -8 .802 38, .722 1. .00 43, .32 c

ATOM 1119 ODl ASN A 255 -5 .802 -8 .242 38, .607 ' 1, .00 39, .41 0

ATOM 1120 ND2 ASN A 255 -4 .484 -9 .473 39, .860 1, .00 50, .99 N

ATOM 1121 N ALA A 256 -5 .579 -6 .526 36, .200 1, .00 33, .11 N

ATOM 1122 CA ALA A 256 -6 .183 -5 .203 36, .252 1, .00 33, .02 c

ATOM 1123 C ALA A 256 -6 .346 -4 .659 37, .661 1, .00 31, .67 c

ATOM 1124 O ALA A 256 -6 .412 -3 .434 37, .801 1, .00 31, .48 0

ATOM 1125 CB ALA A 256 -7 .519 -5 .177 35, .519 1, .00 34, .33 c

ATOM 1126 N GLU A 257 -6 .309 -5 .471 38, .713 1, .00 31, .05 N

ATOM 1127 CA GLU A 257 -6 .415 -4 .966 40, .082 1, .00 32, .14 C

ATOM 1128 C GLU A 257 -5 .241 -5 .437 40, .942 1, .00 30, .39 c

ATOM 1129 O GLU A 257 -5 .379 -6 .359 41, .762 1, .00 29, .47 0 ATOM 1130 CB GLU A 257 -7.713 -5.473 40.744 1.00 37..88 c

ATOM 1131 CG GLU A 257 -9.004 -5.090 40.046 1 .00 48. .42 c

ATOM 1132 CD GLU A 257 -10.181 -6.016 40.310 1 .00 54. .77 c

ATOM 1133 OEl GLU A 257 -10.299 -6.595 41.407 1 .00 53. .10 o

ATOM 1134 OE2 GLU A 257 -11.042 -6.196 39.414 1 .00 53. .85 o

ATOM 1135 N PRO A 258 -4.077 -4, 318 40.770 1 .00 28, .24 N

ATOM 1136 CA PRO A 258 -2.896 -5..228 41.515 1 1 .00 27. .58 C

ATOM 1137 C PRO A 258 -3. 160 -5.218 43.011 1 1 .00 26. .99 C

ATOM 1138 O PRO A 258 -3.820 -4.287 43.486 1 1 .00 24. .72 O

ATOM 1139 CB PRO A 258 -1.805 .233 41.138 1 1 .00 27. .25 C

ATOM 1140 CG PRO A 258 -2.324 .423 40.014 1 1 .00 27. .10 c

ATOM 1141 CD PRO A 258 -3.793 -3.713 39.831 1 1 .,00 25. .16 c

ATOM 1142 N ASN A 259 -2.447 -6.066 43.759 1 1 .,00 27. .33 N

ATOM 1143 CA ASN A 259 -2.622 -6.036 45.218 1 1 .,00 27. .68 c

ATOM 1144 C ASN A 259 -1.998 -4.750 45.757 1 1 .,00 26. .76 c

ATOM 1145 O ASN A 259 -2.389 -4.214 46.802 1 1 .,00 24. .62 O

ATOM 1146 CB ASN A 259 -2.083 -7.296 45.876 1 1 .,00 38. .09 c

ATOM 1147 CG ASN A 259 -0.585 -7.466 45.895 1 1 .,00 44. .01 c

ATOM 1148 ODl ASN A 259 0.099 -7.553 44.874 1 1 .,00 50. .31 O

ATOM 1149 ND2 ASN A 259 -0.066 -7.510 47.121 1 1 .,00 36. .42 N

ATOM 1150 N ARG A 260 -0.984 -4.232 45.076 1 1 .,00 23. .27 N

ATOM 1151 CA ARG A 260 -0.391 -2.952 45.419 1 1 .,00 22. .90 C

ATOM 1152 C ARG A 260 0.378 -2.353 44.236 1 1 .,00 20. .48 C

ATOM 1153 O ARG A 260 0.789 -3.052 43.308 1 1 .,00 20. .78 O

ATOM 1154 CB ARG A 260 0.557 -3.102 46.610 1 1 .,00 29. .39 C

ATOM 1155 CG ARG A 260 1.819 -3.891 46.339 1 1 .,00 33. .07 C

ATOM 1156 CD ARG A 260 2.585 -4.112 47.644 1 1 .,00 39. .45 C

ATOM 1157 NE ARG A 260 3.487 -5..244 47.496 1 1 .,00 45. .89 N

ATOM 1158 CZ ARG A 260 3.643 -6..235 48.355 1 1 .,00 40. .02 C

ATOM 1159 NHl ARG A 260 2.930 -6.268 49.472 1 1 .,00 46. .80 N

ATOM 1160 NH2 ARG A 260 4.520 -7.173 48.048 1 1 .,00 38. .56 N

ATOM 1161 N LEU A 261 0.693 -1.076 44.364 1 1 .,00 19. .03 N

ATOM 1162 CA LEU A 261 1. .509 -0.377 43.377 1 1 .,00 19. .89 C

ATOM 1163 C LEU A 261 2. .646 0.347 44.091 1. .00 19. .50 C

ATOM 1164 O LEU A 261 2.395 1.016 45.083 1. .00 20. .47 O

ATOM 1165 CB LEU A 261 0.699 0.611 42.537 1, .00 18. .16 c

ATOM 1166 CG LEU A 261 -0.278 0.004 41.517 1, .00 23. .58 c

ATOM 1167 CDI LEU A 261 -1.014 1.126 40.773 1. .00 22. .04 c

ATOM 1168 CD2 LEU A 261 0.409 -0.917 40.519 1. .00 19. .80 c

ATOM 1169 N LEU A 262 3.840 0.291 43.505 1. .00 18. .36 N

ATOM 1170 CA LEU A 262 .012 0.954 44.064 1. .00 19. .11 C

ATOM 1171 C LEU A 262 .396 2.134 43.173 1. .00 18. .94 C

ATOM 1172 O LEU A 262 .749 1.931 42.006 1. .00 20. .89 O

ATOM 1173 CB LEU A 262 .134 -0.119 44.127 1. .00 17. .57 C

ATOM 1174 CG LEU A 262 .458 0.397 44.690 1. .00 27. .36 c

ATOM 1175 CDI LEU A 262 .330 0.624 46.191 1. .00 18. .30 c

ATOM 1176 CD2 LEU A 262 8.597 -0.554 44.339 1. .00 25. .85 c

ATOM 1177 N VAL A 263 5.365 3.370 43.662 1. .00 16. .66 N

ATOM 1178 CA VAL A 263 5. ,676 4.530 42.830 1. .00 19. .29 C

ATOM 1179 C VAL A 263 7. .175 4.844 43.020 1. .00 19. .78 C

ATOM 1180 O VAL A 263 7. .620 5.079 44.144 1. .00 19. .16 O

ATOM 1181 CB VAL A 263 4. .870 5.797 43.151 1. .00 20. .89 C

ATOM 1182 CGI VAL A 263 5. .247 6.955 42.216 1. .00 20. .11 C

ATOM 1183 CG2 VAL A 263 3. .354 .551 43.085 1. .00 23. .20 C

ATOM 1184 N VAL A 264 7. .906 .789 41.918 1. .00 21. .71 N

ATOM 1185 CA VAL A 264 9. .354 .014 41.959 1. .00 23. .96 C

ATOM 1186 C VAL A 264 9.648 229 41.111 C ATOM 1187 O VAL A 264 8.789 6.688 40.350 1.00 21.04 O

ATOM 1188 CB VAL A 264 10. 165 3. 787 41. 478 1. 00 20. .95 C

ATOM 1189 CGI VAL A 264 9. 992 2. .642 42. ,483 1. 00 19. .30 C

ATOM 1190 CG2 VAL A 264 9. 706 3. .320 40. ,107 1. 00 17. .14 C

ATOM 1191 N GLU A 265 10. 877 6. .737 41. ,216 1. ,00 25. .06 N

ATOM 1192 CA GLU A 265 11. ,223 7. .981 40. .541 1. 00 24. .71 C

ATOM 1193 C GLU A 265 11. ,520 7. .849 39. .071 1. ,00 25. ,96 C

ATOM 1194 O GLU A 265 11. .035 8. .713 38. .323 1. ,00 25. .17 O

ATOM 1195 CB GLU A 265 12. .378 8. .649 41. .304 1. ,00 30. .22 C

ATOM 1196 CG GLU A 265 12. .065 8. .894 42. .783 1. .00 35. .40 C

ATOM 1197 CD GLU A 265 13. .032 9. .931 43. .352 1. .00 36. .45 C

ATOM 1198 OEl GLU A 265 13. .600 10. .681 42. .530 1. .00 34. .95 O

ATOM 1199 OE2 GLU A 265 13. .241 9. .991 44. .574 1. .00 35. .51 O

ATOM 1200 N GLY A 266 12. .141 6. .788 38. .552 1. .00 26. .04 N

ATOM 1201 CA GLY A 266 12. .367 6. .698 37. .127 1. .00 26. .18 C

ATOM 1202 C GLY A 266 11. .923 5. .428 36. .436 1. .00 25. .99 C

ATOM 1203 O GLY A 266 11. .735 4. .364 37. .016 1. .00 25. . 66 O

ATOM 1204 N TYR A 267 11. .810 5. .486 35. .113 1. .00 25. . 16 N

ATOM 1205 CA TYR A 267 11. .471 4. .329 34. .306 1. .00 29. .73 C

ATOM 1206 C TYR A 267 12. .522 3. .223 34. .356 1. .00 28. .35 C

ATOM 1207 O TYR A 267 12. .151 2. .057 34, .248 1. .00 24, .04 o

ATOM 1208 CB TYR A 267 11. .150 4. .659 32. .873 1. .00 30. .42 c

ATOM 1209 CG TYR A 267 11. .994 5. .638 32. .116 1. .00 32. .96 c

ATOM 1210 CDI TYR A 267 13. .128 5. .242 31. .429 1. .00 31. .95 c

ATOM 1211 CD2 TYR A 267 11. .627 6. .981 32. .082 1. .00 36. .65 c

ATOM 1212 CEl TYR A 267 13. .877 6. .173 30. .717 1. .00 33. .64 c

ATOM 1213 CE2 TYR A 267 12. .370 7. .913 31. .370 1. .00 34. .04 c

ATOM 1214 CZ TYR A 267 13. .490 7. .496 30. .700 1. .00 34. .10 c

ATOM 1215 OH TYR A 267 14. .240 8. .416 29. .991 1. .00 35. .18 0

ATOM 1216 N MET A 268 13, .771 3. .567 34, .584 1. .00 28. .24 N

ATOM 1217 CA MET A 268 14, .863 2, .612 34, .763 1. .00 28. .91 C

ATOM 1218 C MET A 268 14, .701 1, .855 36, .074 1. .00 25. .21 C

ATOM 1219 O MET A 268 15, .125 0, .697 36, .206 1. .00 23. .92 0

ATOM 1220 CB MET A 268 16, .178 3, .399 34, .777 1. .00 40. .44 c

ATOM 1221 CG MET A 268 17, .413 2, .616 34, .405 1. .00 49. .38 c

ATOM 1222 SD MET A 268 17 .485 0, .969 35, .117 1. .00 59, .77 S

ATOM 1223 CE MET A 268 16 .975 0, .009 33, .664 1. .00 43, .57 c

ATOM 1224 N ASP A 269 14 .130 2, .510 37, .092 1. .00 21, .43 N

ATOM 1225 CA ASP A 269 13 .791 1, .798 38, .326 1, .00 20, .20 c

ATOM 1226 C ASP A 269 12 .685 0 .786 38 .016 1, .00 19, .03 c

ATOM 1227 O ASP A 269 12 .722 -0 .327 38 .531 1, .00 19 .73 0

ATOM 1228 CB ASP A 269 13 .347 2 .720 39 .463 1, .00 19 .53 c

ATOM 1229 CG ASP A 269 14 .403 3, .769 39, .780 1. .00 30, .92 c

ATOM 1230 ODl ASP A 269 15 .587 3, .422 39, .960 1. .00 22, .81 o

ATOM 1231 OD2 ASP A 269 14 .058 4, .958 39, .852 1. .00 31, .82 o

ATOM 1232 N VAL A 270 11 .667 1, .187 37, .260 1. .00 19, .06 N

ATOM 1233 CA VAL A 270 10 .586 0 .234 36, .933 1, .00 19, .59 c

ATOM 1234 C VAL A 270 11 .111 -1 .033 36 .250 1, .00 18, .55 c

ATOM 1235 O VAL A 270 10 .748 -2, .179 36 .541 1, .00 17, .82 O

ATOM 1236 CB VAL A 270 9 .545 0, .913 36 .027 1, .00 20, .28 c

ATOM 1237 CGI VAL A 270 8 .521 -0, .091 35 .518 1, .00 18 .63 c

ATOM 1238 CG2 VAL A 270 8 .820 2 .027 36 .789 1, .00 20 .34 c

ATOM 1239 N VAL A 271 11 .925 -0 .839 35 .221 1, .00 16 .94 N

ATOM 1240 CA VAL A 271 12 .470 -1 .953 34 .448 1, .00 17, .48 C

ATOM 1241 C VAL A 271 13 .365 -2 .855 35 .297 1, .00 18, .30 C

ATOM 1242 O VAL A 271 13 .222 -4 .091 35 .250 1, .00 19 .47 o

ATOM 1243 CB VAL A 271 13 .213 -1 .404 33 .215 1, .00 22, .38 c ATOM 1244 CGI VAL A 271 13.,827 -2..531 32.,393 1.,00 18.,02 C

ATOM 1245 CG2 VAL A 271 12. ,232 -0. .628 32. .319 1. ,00 20. .04 C

ATOM 1246 N ALA A 272 14. 289 -2. .273 36. .061 1. .00 19. .21 N

ATOM 1247 CA ALA A 272 15. ,195 -3. .079 36. .907 1. 00 19. ,45 C

ATOM 1248 C ALA A 272 14. ,382 -3. .906 37. .905 1. .00 21. ,05 C

ATOM 1249 O ALA A 272 14. .635 -5. .096 38. .159 1. .00 22. .00 O

ATOM 1250 CB ALA A 272 16. .121 -2. .121 37. .642 1. .00 23. .43 c

ATOM 1251 N LEU A 273 13. .372 -3. .267 38. .523 1. .00 16. .82 N

ATOM 1252 CA LEU A 273 12. .494 -3. .970 39. .449 1. .00 17. .16 C

ATOM 1253 C LEU A 273 11. .782 -5. .117 38. .742 1. .00 18. .97 C

ATOM 1254 O LEU A 273 11. .666 -6. .202 39. .359 1. .00 18. .96 O

ATOM 1255 CB LEU A 273 11. .504 -3. .003 40. .150 1. .00 14. .42 C

ATOM 1256 CG LEU A 273 12. .142 -2. .128 41. .253 1. .00 19. .82 C

ATOM 1257 CDI LEU A 273 11. .178 -1. .034 41. .727 1. .00 22. .86 C

ATOM 1258 CD2 LEU A^' 273 12. .594 -2. .947 42. .457 1. .00 19. .91 C

ATOM 1259 N ALA A 274 11. .277 -4. .914 37. .523 1. .00 15. .72 N

ATOM 1260 CA ALA A 274 10. .617 -6. .045 36. .827 1. .00 19. .43 C

ATOM 1261 C ALA A 274 11. .601 -7. .214 36. .610 1. .00 21. .22 C

ATOM 1262 O ALA A 274 11. .304 -8, .376 36. .878 1. .00 20. .66 O

ATOM 1263 CB ALA A 274 10. .153 -5, .579 35. .462 1. .00 19. .20 C

ATOM 1264 N GLN A 275 12. .856 -6, .930 36. .256 1. .00 20. .67 N

ATOM 1265 CA GLN A 275 13. .874 -7. .985 36. .094 1. .00 21. .19 C

ATOM 1266 C GLN A 275 14. .040 -8. .788 37. .384 1. .00 22. .39 C

ATOM 1267 O GLN A 275 14. .325 -9. .991 37. .356 1. .00 21. .89 O

ATOM 1268 CB GLN A 275 15. .204 -7, .382 35. .639 1. .00 21. .41 C

ATOM 1269 CG GLN A 275 16, .366 -8, .378 35, .503 1. .00 25. .10 C

ATOM 1270 CD GLN A 275 16, .048 -9, .499 34, .519 1. .00 32. .55 C

ATOM 1271 OEl GLN A 275 15, .469 -9 .222 33, .455 1. .00 24. .65 O

ATOM 1272 NE2 GLN A 275 16. .390 -10, .758 34. .849 1. .00 26. .31 N

ATOM 1273 N TYR A 276 13. .899 -8, .135 38. .536 1. .00 21. .07 N

ATOM 1274 CA TYR A 276 14, .011 -8, .733 39, .846 1. .00 22. .89 C

ATOM 1275 C TYR A 276 12, .696 -9, .200 40, .436 1. .00 22. .65 C

ATOM 1276 O TYR A 276 12, .639 -9, .500 41, .633 1. .00 23. .75 O

ATOM 1277 CB TYR A 276 14, .721 -7, .789 40, .844 1. .00 24, .13 C

ATOM 1278 CG TYR A 276 16, .217 -7 .864 40 .586 1, .00 25, .61 C

ATOM 1279 CDI TYR A 276 16 .831 -7 .139 39, .587 1, .00 24, .18 C

ATOM 1280 CD2 TYR A 276 16, .991 -8, .720 41, .364 1. .00 27. .95 c

ATOM 1281 CEl TYR A 276 18, .193 -7, .234 39, .360 1. .00 26. .38 c

ATOM 1282 CE2 TYR A 276 18, .351 -8 .824 41, .145 1. .00 27. .55 c

ATOM 1283 CZ TYR A 276 18, .944 -8 .088 40, .146 1, .00 27. .80 c

ATOM 1284 OH TYR A 276 20 .301 -8 .202 39, .930 1, .00 26, .85 0

ATOM 1285 N GLY A 277 11 .671 -9 .399 39 .613 1, .00 23, .40 N

ATOM 1286 CA GLY A 277 10 .447 -10 .040 40 .056 1, .00 26, .34 C

ATOM 1287 C GLY A 277 9 .413 -9 .149 40 .719 1 .00 27, .13 C

ATOM 1288 O GLY A 277 8 .502 -9 .664 41 .385 1 .00 28 .07 O

ATOM 1289 N ILE A 278 9, .618 -7 .842 40, .673 1, .00 22, .93 N

ATOM 1290 CA ILE A 278 8 .632 -6 .873 41, .189 1, .00 21, .32 C

ATOM 1291 C ILE A 278 7 .994 -6 .229 39 .974 1, .00 22, .67 C

ATOM 1292 O ILE A 278 8 .553 -5 .291 39, .377 1, .00 23, .12 O

ATOM 1293 CB ILE A 278 9 .314 -5 .871 42 .137 1, .00 22, .27 C

ATOM 1294 CGI ILE A 278 9 .705 -6 .628 43 .421 1, .00 22 .50 C

ATOM 1295 CG2 ILE A 278 8 .452 -4 .657 42 .476 1 .00 18 .77 C

ATOM 1296 CDI ILE A 278 10 .527 -5 .951 44 .466 1 .00 19 .88 C

ATOM 1297 N ASN A 279 6 .806 -6 .699 39. .583 1, .00 21, .91 N

ATOM 1298 CA ASN A 279 6 .197 -6 .217 38, .337 1, .00 19, .48 C

ATOM 1299 C ASN A 279 5 .081 -5 .229 38, .598 1, .00 19, .36 C

ATOM 1300 O ASN A 279 4 .082 -5 .171 37, .863 1, .00 21, .13 O ATOM 1301 CB ASN A 279 5..694 -7..448 37..536 1.00 29..33 C

ATOM 1302 CG ASN A 279 6. .857 -8. .366 37. .204 1. ,00 43. .12 C

ATOM 1303 ODl ASN A 279 7. .751 -8. .018 36. .430 1. ,00 51. .31 O

ATOM 1304 ND2 ASN A 279 6. .902 -9. .558 37. .791 1. ,00 51. .61 N

ATOM 1305 N TYR A 280 5. .177 -4. .487 39. .697 1. ,00 19. .22 N

ATOM 1306 CA TYR A 280 4. .096 -3. .557 40. .033 1. .00 19. .67 C

ATOM 1307 C TYR A 280 4. .637 -2. .171 40. .359 1. .00 18. .96 C

ATOM 1308 O TYR A 280 3. .993 -1. .420 41. .094 1. .00 19. .41 O

ATOM 1309 CB TYR A 280 3. .227 -4. .156 41. .143 1. .00 20. .84 C

ATOM 1310 CG TYR A 280 4. .029 -4. .593 42. .350 1. .00 20. .38 C

ATOM 1311 CDI TYR A 280 4. .379 -3. .689 43. .331 1. .00 20. .67 C

ATOM 1312 CD2 TYR A 280 4. .445 -5. .907 42. .494 1. .00 22. .57 C

ATOM 1313 CEl TYR A 280 5. .113 -4. .066 44. .439 1. .00 21. .49 C

ATOM 1314 CE2 TYR A 280 5. .173 -6. .322 43. .593 1. ,00 24. .63 C

ATOM 1315 CZ TYR A 280 5. .508 -5. .393 44. .551 1. ,00 23. .57 C

ATOM 1316 OH TYR A 280 6. .229 -5. .764 45. .645 1. ,00 19. .59 0

ATOM 1317 N ALA A 281 5. .780 -1. .815 39. .781 1. .00 14. .53 N

ATOM 1318 CA ALA A 281 6. .354 -0. .483 40. .013 1. ,00 19. .07 C

ATOM 1319 C ALA A 281 5. .944 0. .462 38. .899 1. .00 19. .67 C

ATOM 1320 O ALA A 281 5. .802 0. .000 37. .769 1. .00 21. .09 O

ATOM 1321 CB ALA A 281 7. .870 -0. .546 40. .056 1. .00 18. .73 C

ATOM 1322 N VAL A 282 5. .660 1. .734 39. .166 1. .00 21. .72 N

ATOM 1323 CA VAL A 282 5. .303 2. .705 38. .137 1. .00 21. .61 C

ATOM 1324 C VAL A 282 6. .062 4. .010 38. .408 1. .00 23. .44 C

ATOM 1325 O VAL A 282 6. .522 4. .190 39. .548 1. .00 25. .77 O

ATOM 1326 CB VAL A 282 3. .792 3. .009 38. .037 1. .00 15. .03 C

ATOM 1327 CGI VAL A 282 2. .989 1. .719 37. .795 1. .00 17. .26 C

ATOM 1328 CG2 VAL A 282 3. .270 3. .730 39. .277 1. .00 15. .89 C

ATOM 1329 N ALA A 283 6. .187 4, .912 37. .441 1. .00 20. .92 N

ATOM 1330 CA ALA A 283 6, .895 6. .165 37. .694 1. .00 21. .28 C

ATOM 1331 C ALA A 283 6, .290 7, .339 36. .936 1. .00 20. .86 C

ATOM 1332 O ALA A 283 5, .849 7, .164 35. .805 1. .00 21. .30 0

ATOM 1333 CB ALA A 283 8, .368 6, .065 37. .252 1. .00 18. .45 c

ATOM 1334 N SER A 284 6, .280 8, .532 37. .547 1. .00 22. .46 N

ATOM 1335 CA SER A 284 5, .887 9, .692 36. .734 1. .00 29, .57 C

ATOM 1336 C SER A 284 7, .143 10, .102 35, .963 1. .00 30, .70 C

ATOM 1337 O SER A 284 8, .261 9, .890 36, .436 1. .00 28, .76 O

ATOM 1338 CB SER A 284 5, .352 10, .876 37, .526 1. .00 31, .77 C

ATOM 1339 OG SER A 284 6, .368 11, .449 38, .310 1. .00 43, .41 O

ATOM 1340 N LEU A 285 6, .969 10, .716 34, .804 1. .00 33, .70 N

ATOM 1341 CA LEU A 285 8, .050 11, .172 33, .959 1. .00 38, .06 C

ATOM 1342 C LEU A 285 8, .468 12, .600 34, .310 1. .00 41, .98 C

ATOM 1343 O LEU A 285 9 .151 13, .282 33, .556 1. .00 44, .67 o

ATOM 1344 CB LEU A 285 7, .682 11, .079 32, .473 1. .00 36, .57 c

ATOM 1345 CG LEU A 285 7, .585 9, .671 31, .884 1. .00 42, .63 c

ATOM 1346 CDI LEU A 285 8 .742 8, .779 32, .301 1. .00 38, .92 c

ATOM 1347 CD2 LEU A 285 6 .287 8 .993 32, .292 1. .00 45, .37 c

ATOM 1348 N GLY A 286 7 .957 13 .113 35, .406 1. .00 44, .36 N

ATOM 1349 CA GLY A 286 8, .310 14 .376 36, .023 1, .00 45, .69 C

ATOM 1350 C GLY A 286 8 .868 14 .080 37, .420 1, .00 47, .98 C

ATOM 1351 O GLY A 286 8 .955 12 .917 37, .839 1, .00 47, .79 O

ATOM 1352 N THR A 287 9 .190 15 .138 38, .171 1, .00 48, .25 N

ATOM 1353 CA THR A 287 9 .714 14 .927 39, .519 1. .00 49, .17 C

ATOM 1354 C THR A 287 8, .631 15, .011 40. .592 1. .00 47. .81 C

ATOM 1355 O THR A 287 8, .977 14, .853 41. .765 1. .00 49. .56 O

ATOM 1356 CB THR A 287 10, .863 15, .870 39. .911 1. .00 55. .30 C

ATOM 1357 OGl THR A 287 11. .874 15, .871 38. .893 1. .00 59. .30 O ATOM 1358 CG2 THR A 287 11.519 15.395 41.210 1.00 55.53 C

ATOM 1359 N SER A 288 7.356 15.103 40.240 1.00 45.06 N

ATOM 1360 CA SER A 288 310 15.039 41.259 1.00 42.70 C

ATOM 1361 C SER A 288 163 14.127 40.845 1.00 38.73 C

ATOM 1362 O SER A 288 058 13.692 39.704 1.00 37.66 O

ATOM 1363 CB SER A 288 774 16.450 41.510 1.00 48.40 C

ATOM 1364 OG SER A 288 017 16.831 40.362 1.00 57.85 O

ATOM 1365 N THR A 289 4.320 13.810 41.807 1.00 35.66 N

ATOM 1366 CA THR A 289 3.136 12.980 41.668 1.00 33.19 C

ATOM 1367 C THR A 289 1.912 13.882 41.740 1.00 32.16 C

ATOM 1368 O THR A 289 1.722 14.529 42.782 1.00 32.49 o

ATOM 1369 CB THR A 289 3.172 12.013 42.876 1.00 37.19 c

ATOM 1370 OGl THR A 289 4.437 11.321 42.795 1.00 41.28 o

ATOM 1371 CG2 THR A 289 2.013 11.046 42.908 1, 00 27.24 c

ATOM 1372 N THR A 290 1.150 14.055 40.676 1 00 29.76 N

ATOM 1373 CA THR A 290 0.036 14.993 40.662 1 00 23.27 C

ATOM 1374 C THR A 290 1.231 14.369 41.246 1 00 24.63 C

ATOM 1375 O THR A 290^' 1.295 13.154 41.459 1 00 22.91 O

ATOM 1376 CB THR A 290 -0.311 15.418 39.214 1 00 22.91 C

ATOM 1377 OGl THR A 290 -0.696 14.238 38.506 1 00 22.73 O

ATOM 1378 CG2 THR A 290 0.846 16.061 38.467 1 00 24.03 C

ATOM 1379 N ALA A 291 -2.287 15.181 41.373 1, 00 21.97 N

ATOM 1380 CA ALA A 291 -3.601 14.712 41.773 1.00 24.83 C

ATOM 1381 C ALA A 291 -4.129 13.689 40.767 1.00 23.82 C

ATOM 1382 O ALA A 291 -4, .761 12.702 41.143 1, 00 23.69 o

ATOM 1383 CB ALA A 291 -4.576 15.894 41.894 1 00 23.72 c

ATOM 1384 N ASP A 292 -3..929 13.930 39.471 1 00 24.20 N

ATOM 1385 CA ASP A 292 -4.336 12.944 38.463 1 00 25.67 C

ATOM 1386 C ASP A 292 -3.582 11.631 38.695 1 00 25.52 C

ATOM 1387 O ASP A 292 -4.166 10.559 38.574 1 00 22.80 O

ATOM 1388 CB ASP A 292 -4.080 13.477 37.059 1 00 27.00 C

ATOM 1389 CG ASP A 292 -5.126 14.497 36.630 1 00 35.87 C

ATOM 1390 ODl ASP A 292 -6.294 14.398 37.049 1 00 41.44 O

ATOM 1391 OD2 ASP A 292 .789 15.410 35.863 1 00 39.79 O

ATOM 1392 N HIS A 293 .282 11.687 39.041 1 00 25.03 N

ATOM 1393 CA HIS A 293 -1.576 10.421 39.311 1 00 25.25 C

ATOM 1394 C HIS A 293 -2.189 9.644 40.464 1 00 23.75 C

ATOM 1395 O HIS A 293 -2.309 8.414 40.417 1 00 23.87 o

ATOM 1396 CB HIS A 293 -0.085 10.637 39.628 1 00 22.50 C

ATOM 1397 CG HIS A 293 0.697 11.091 38.432 1 00 19.77 C

ATOM 1398 NDl HIS A 293 1.775 11.947 38.535 1 00 25.41 N

ATOM 1399 CD2 HIS A 293 0.571 10.815 37.111 1 00 26.48 C

ATOM 1400 CEl HIS A 293 2.277 12.172 37.332 1 00 21.46 C

ATOM 1401 NE2 HIS A 293 1. .565 11.507 36.450 1 00 24.06 N

ATOM 1402 N ILE A 294 -2 .485 10.360 41.557 1 00 22.20 N

ATOM 1403 CA ILE A 294 -3 .104 9.757 42.747 1 00 23.11 C

ATOM 1404 C ILE A 294 -4 .419 9.069 42.407 1 00 23.07 C

ATOM 1405 O ILE A 294 -4 .,670 7.917 42.779 1 00 19.09 O

ATOM 1406 CB ILE A 294 -3 .303 10.861 43.801 1 00 23.03 C

ATOM 1407 CGI ILE A 294 -1.948 11.420 44.286 1 00 24.13 C

ATOM 1408 CG2 ILE A 294 -4.140 10.411 44.993 1 00 19.72 C

ATOM 1409 CDI ILE A 294 -0.961 10.392 44.814 1 00 27.30 C

ATOM 1410 N GLN A 295 -5.314 9.737 41.662 1 00 23.06 N

ATOM 1411 CA GLN A 295 -6.579 9.130 41.244 1 00 23.48 C

ATOM 1412 C GLN A 295 -6.414 7.864 40.420 1 00 24.31 C

ATOM 1413 O GLN A 295 -7.193 6.904 40.493 1 00 25.94 O

ATOM 1414 CB GLN A 295 -7.358 10.153 40.383 1 00 24.90 C ATOM 1415 CG GLN A 295 -7.,855 11..329 41.,205 1.00 41..05 C

ATOM 1416 CD GLN A 295 -8. ,523 12. .397 40. ,362 1. .00 49, .54 C

ATOM 1417 OEl GLN A 295 -8. ,763 12. .233 39. .161 1. .00 58. .52 O

ATOM 1418 NE2 GLN A 295 -8. .840 13. .519 40. .994 1. .00 56, .47 N

ATOM 1419 N LEU A 296 -5. .450 7. .897 39. .502 1. .00 22, .23 N

ATOM 1420 CA LEU A 296 -5. .133 6. .772 38. .621 1. .00 23, .52 C

ATOM 1421 C LEU A 296 -4. .633 5. .583 39. .427 1. .00 23, .55 C

ATOM 1422 O LEU A 296 -5. .067 4. .431 39. .218 1. .00 21, .75 O

ATOM 1423 CB LEU A 296 -4. .082 7. .287 37. .629 1. .00 30, .53 C

ATOM 1424 CG LEU A 296 -3. .718 6. .576 36. .344 1. .00 38, .08 C

ATOM 1425 CDI LEU A 296 -4. .896 6. .445 35. .377 1. ,00 41, .35 C

ATOM 1426 CD2 LEU A 296 -2. .590 7. .341 35. .649 1. .00 36, .72 C

ATOM 1427 N LEU A 297 -3. .711 5. .859 40. .359 1. .00 19, .14 N

ATOM 1428 CA LEU A 297 -3. .191 4. .826 41. .249 1. .00 19, .29 C

ATOM 1429 C LEU A 297 -4. .305 4. .187 42. .083 1. .00 22, .05 C

ATOM 1430 O LEU A 297 -4. .425 2, .965 42. .170 1. .00 22, .85 o

ATOM 1431 CB LEU A 297 -2. .120 5, .421 42. .189 1. .00 15 .60 c

ATOM 1432 CG LEU A 297 -0. .823 5, .905 41. .509 1. .00 17 .73 c

ATOM 1433 CDI LEU A 297 -0. .028 6, .790 42, .459 1. .00 19 .24 c

ATOM 1434 CD2 LEU A 297 0. .058 4, .756 41, .038 1. .00 23 .55 c

ATOM 1435 N PHE A 298 -5. .154 5, .003 42, .739 1. .00 22 .50 N

ATOM 1436 CA PHE A 298 -6. .210 4. .474 43. .564 1. .00 22, .49 C

ATOM 1437 C PHE A 298 -7. .373 3, .869 42. .766 1. .00 23, .75 C

ATOM 1438 O PHE A 298 -8. .080 3. .042 43. .360 1. .00 24, .29 0

ATOM 1439 CB PHE A 298 -6. .688 5. .446 44. .654 1. .00 23, .25 C

ATOM 1440 CG PHE A 298 -5. .703 5, .475 45, .812 1. .00 17, .10 C

ATOM 1441 CDI PHE A 298 -5. .065 6, .668 46. .115 1. .00 26, .15 C

ATOM 1442 CD2 PHE A 298 -5. .452 4, .358 46. .563 1. .00 18, .59 c

ATOM 1443 CEl PHE A 298 -4. .156 6, .713 47, .175 1. .00 26, .58 c

ATOM 1444 CE2 PHE A 298 -4. .551 4, .380 47, .616 1. .00 22, .81 c

ATOM 1445 CZ PHE A 298 -3. .911 5, .570 47, .907 1. .00 24, .72 c

ATOM 1446 N ARG A 299 -7. .543 4, .113 41, .488 1. .00 25, .29 N

ATOM 1447 CA ARG A 299 -8. .482 3, .374 40, .660 1. .00 29, .30 C

ATOM 1448 C ARG A 299 -7. .973 1, .945 40, .414 1. .00 30, .79 C

ATOM 1449 O ARG A 299 -8. .768 1, .011 40, .291 1. .00 30 .49 O

ATOM 1450 CB ARG A 299 -8, .727 4 .025 39, .298 1. .00 34 .10 C

ATOM 1451 CG ARG A 299 -9, .408 5 .379 39, .284 1. .00 46 .45 c

ATOM 1452 CD ARG A 299 -10, .028 5 .674 37, .925 1. .00 54 .57 c

ATOM 1453 NE ARG A 299 -9, .088 6 .216 36, .955 1. .00 62 .68 N

ATOM 1454 CZ ARG A 299 -8, .892 7 .514 36, .743 1. .00 64 .56 c

ATOM 1455 NHl ARG A 299 -9, .583 8 .417 37, .427 1. .00 65 .45 N

ATOM 1456 NH2 ARG A 299 -8, .016 7 .946 35 .844 1. .00 67 .67 N

ATOM 1457 N ALA A 300 -6. .663 1, .741 40. .409 1. .00 29, .23 N

ATOM 1458 CA ALA A 300 -6. .049 0, .441 40, .151 1. .00 28, .79 C

ATOM 1459 C ALA A 300 -5. .840 -0, .426 41, .369 1. .00 28, .63 C

ATOM 1460 O ALA A 300 -6. .032 -1, .645 41, .335 1. .00 30, .69 O

ATOM 1461 CB ALA A 300 -4, .687 0, .696 39, .474 1. .00 23, .16 C

ATOM 1462 N THR A 301 -5, .508 0, .186 42, .501 1. .00 28, .55 N

ATOM 1463 CA THR A 301 -5, .220 -0, .543 43, .728 1. .00 24, .97 C

ATOM 1464 C THR A 301 -5, .660 0, .234 44, .958 1. .00 26, .49 C

ATOM 1465 0 THR A 301 -5, .862 1, .442 44, .848 1. .00 24, .54 O

ATOM 1466 CB THR A 301 -3, .691 -0, .804 43, .823 1. .00 19, .80 C

ATOM 1467 OGl THR A 301 -3, .477 -1, .630 44, .980 1. .00 20, .44 O

ATOM 1468 CG2 THR A 301 -2, .896 0, .480 44, .028 1. .00 14, .46 C

ATOM 1469 N ASN A 302 -5, .806 -0, .449 46, .099 1. .00 26, .92 N

ATOM 1470 CA ASN A 302 -6, .099 0, .237 47, .349 1. .00 27, .36 C

ATOM 1471 C ASN A 302 -4, .817 0, .464 48, .153 1. .00 25, .53 C ATOM 1472 O ASN A 302 -4.822 1.047 49.239 1.00 24.08 O

ATOM 1473 CB ASN A 302 -7.072 -0.546 48.236 1.00 32.83 C

ATOM 1474 CG ASN A 302 -8.416 -0.770 47.562 1.00 39.73 C

ATOM 1475 ODl ASN A 302 -9.017 0.138 47.000 1.00 42.65 O

ATOM 1476 ND2 ASN A 302 -8.876 -2.017 47.631 1.00 45.73 N

ATOM 1477 N ASN A 303 -3.699 -0.080 47.686 1. 00 23.36 N

ATOM 1478 CA ASN A 303 -2.458 -0.052 48.477 1.00 23.55 C

ATOM 1479 C ASN A 303 -1.309 0.557 47.671 1.00 22.38 C

ATOM 1480 O ASN A 303 -0.777 -0.073 46.755 1.00 23.28 O

ATOM 1481 CB ASN A 303 -2.202 -1.500 48.906 1.00 32.32 C

ATOM 1482 CG ASN A 303 -3.217 -2.026 49.889 1.00 43.95 c

ATOM 1483 ODl ASN A 303 -3.725 -1.273 50.746 1.00 47.30 o

ATOM 1484 ND2 ASN A 303 -3.559 -3 .303 49.779 1.00 48.24 N

ATOM 1485 N VAL A 304 -0.993 1..821 47.940 1, 00 18.62 N

ATOM 1486 CA VAL A 304 0.036 2.560 47.195 1.00 19.98 C

ATOM 1487 C VAL A 304 1.230 2.869 48.098 1.00 19.36 C

ATOM 1488 O VAL A 304 1.101 3.,335 49.231 1.00 20.92 O

ATOM 1489 CB VAL A 304 -0.534 3.892 46.662 1.00 20.24 C

ATOM 1490 CGI VAL A 304 0.491 4.718 45.895 1.00 20.68 C

ATOM 1491 CG2 VAL A 304 -1.764 3.627 45.787 1, 00 18.25 C

ATOM 1492 N ILE A 305 2, .423 2.505 47.634 1.00 20.29 N

ATOM 1493 CA ILE A 305 3, .640 2.837 48.358 1.00 20.18 C

ATOM 1494 C ILE A 305 4, .496 3.776 47.506 1.00 19.82 C

ATOM 1495 O ILE A 305 4, .844 3.473 46.369 1, 00 18.09 O

ATOM 1496 CB ILE A 305 4, .428 1. 603 48.812 1.00 23.35 C

ATOM 1497 CGI ILE A 305 3, .545 0, 697 49.676 1, 00 21.63 C

ATOM 1498 CG2 ILE A 305 5 .648 2 090 49.622 1.00 15.72 C

ATOM 1499 CDI ILE A 305 4, .086 -0.703 49.836 1.00 32.45 C

ATOM 1500 N CYS A 306 .782 4.964 48.020 1, 00 23.14 N

ATOM 1501 CA CYS A 306 5 .611 5, 927 47.284 1, 00 22.66 C

ATOM 1502 C CYS A 306 7, .058 5. 769 47.761 1, 00 23.17 C

ATOM 1503 O CYS A 306 7 .280 5, 779 48.975 1.00 22.37 O

ATOM 1504 CB CYS A 306 5 .103 7, 348 47.537 1.00 27.33 C

ATOM 1505 SG CYS A 306 3, .555 7. 659 46.637 1.00 28.69 S

ATOM 1506 N CYS A 307 7 .963 5. 511 46.842 1.00 21.05 N

ATOM 1507 CA CYS A 307 9. .335 5.140 47.189 1.00 22.07 C

ATOM 1508 C CYS A 307 10.289 6.211 46.681 00 27.17 C

ATOM 1509 O CYS A 307 10.335 579 45.513 00 27.86 O

ATOM 1510 CB CYS A 307 9.672 762 46.617 00 24.49 C

ATOM 1511 SG CYS A 307 11.383 176 46.911 00 25.41 S

ATOM 1512 N TYR A 308 10.922 895 47.648 00 26.67 N

ATOM 1513 CA TYR A 308 11.815 984 47.290 00 29.08 C

ATOM 1514 C TYR A 308 13.261 546 47.507 00 32.51 C

ATOM 1515 O TYR A 308 13.621 6.924 48.499 00 28.99 O

ATOM 1516 CB TYR A 308 11.421 9.216 48.107 00 29.51 C

ATOM 1517 CG TYR A 308 9.995 9. 646 47.776 00 33.10 C

ATOM 1518 CDI TYR A 308 8.931 9. 203 48.551 1.00 32.97 C

ATOM 1519 CD2 TYR A 308 9.735 10.464 46.691 1.00 31.08 C

ATOM 1520 CEl TYR A 308 7.637 9.583 48.251 1.00 31.95 C

ATOM 1521 CE2 TYR A 308 8.442 10.854 46.386 1.00 31.78 C

ATOM 1522 CZ TYR A 308 7.407 10.401 47.174 1.00 33.37 C

ATOM 1523 OH TYR A 308 6.108 10.765 46.903 1.00 38.98 o

ATOM 1524 N ASP A 309 14.032 7.746 46.451 1.00 35.00 N

ATOM 1525 CA ASP A 309 15.473 7.502 46.444 1.00 35.61 c

ATOM 1526 C ASP A 309 16.083 8.111 47.703 1.00 35.40 c

ATOM 1527 O ASP A 309 15.506 9.036 48.293 1.00 34.48 o

ATOM 1528 CB ASP A 309 16.023 8.246 45.212 1.00 31.03 c ATOM 1529 CG ASP A 309 15.485 7.613 43.934 1.00 33.80 C

ATOM 1530 ODl ASP A 309 14.869 6.538 44.024 1.00 33.91 O

ATOM 1531 OD2 ASP A 309 15.675 8.152 42.831 1.00 39.62 O

ATOM 1532 N GLY A 310 17.324 7.710 47.965 1.00 36.16 N

ATOM 1533 CA GLY A 310 18.041 8.129 49.151 1.00 38.29 C

ATOM 1534 C GLY A 310 18.719 9.485 49.122 1..00 40.95 C

ATOM 1535 O GLY A 310 19.950 9.559 49.254 1.00 38.67 O

ATOM 1536 N ASP A 311 17.951 10.561 48.981 1.00 40.99 N

ATOM 1537 CA ASP A 311 18.493 11.916 49.007 1.00 44.80 C

ATOM 1538 C ASP A 311 17.436 12.883 49.548 1..00 47.71 C

ATOM 1539 O ASP A 311 16.263 12.535 49.702 1.00 47.93 O

ATOM 1540 CB ASP A 311 19.018 12.399 47.669 1..00 39.83 C

ATOM 1541 CG ASP A 311 18.002 12.455 46.548 1.00 41.60 C

ATOM 1542 ODl ASP A 311 16.768 12.375 46.773 1.00 35.21 O

ATOM 1543 OD2 ASP A 311 18.514 12.594 45.423 1.00 26.17 O

ATOM 1544 N ARG A 312 17.860 14.107 49.848 1.00 47.91 N

ATOM 1545 CA ARG A 312 16.952 15.098 50.416 1.00 48.20 C

ATOM 1546 C ARG A 312 15.865 15.547 49.447 1.00 46.33 C

ATOM 1547 O ARG A 312 14.728 15.772 49.880 1.00 48.22 o

ATOM 1548 CB ARG A 312 17.734 16.304 50.920 00 51.74 c

ATOM 1549 CG ARG A 312 17.038 17.039 52.065 .00 51.57 c

ATOM 1550 CD ARG A 312 18.051 18.000 52.670 .00 58.39 c

ATOM 1551 NE ARG A 312 18.996 17.354 53.570 .00 58.92 N

ATOM 1552 CZ ARG A 312 20.307 17.549 53.580 .00 58.38 c

ATOM 1553 NHl ARG A 312 20.856 18.383 52.707 .00 57.64 N

ATOM 1554 NH2 ARG A 312 21.054 16.897 54.463 .00 58.69 N

ATOM 1555 N ALA A 313 16.139 15.557 48.144 .00 42.24 N

ATOM 1556 CA ALA A 313 15.056 15.871 47.198 .00 40.47 C

ATOM 1557 C ALA A 313 13.899 14.893 47.435 .00 37.36 C

ATOM 1558 O ALA A 313 12.753 15.344 47.475 .00 36.85 O

ATOM 1559 CB ALA A 313 15.574 15.897 45.784 .00 31.19 C

ATOM 1560 N GLY A 314 14.157 13.622 47.680 .00 35.12 N

ATOM 1561 CA GLY A 314 13.205 12.582 47.981 .00 33.74 C

ATOM 1562 C GLY A 314 12.245 12.928 49.113 .00 34.24 C

ATOM 1563 O GLY A 314 11.019 12.905 48.960 .00 33.69 O

ATOM 1564 N ARG A 315 12.784 13.335 50.260 .00 33.31 N

ATOM 1565 CA ARG A 315 11.968 13.737 51.394 .00 34.50 C

ATOM 1566 C ARG A 315 11.082 14.929 51.094 1.00 33.98 C

ATOM 1567 O ARG A 315 9.915 14.976 51.515 1.00 32.66 O

ATOM 1568 CB ARG A 315 12.818 14.017 52.645 1.00 42.40 C

ATOM 1569 CG ARG A 315 13.595 12.782 53.076 1.00 54.54 C

ATOM 1570 CD ARG A 315 14.374 12.978 54.361 1.00 61.33 C

ATOM 1571 NE ARG A 315 15.148 11.796 54.725 1.00 69.93 N

ATOM 1572 CZ ARG A 315 14.692 10.565 54.909 1.00 72.51 C

ATOM 1573 NHl ARG A 315 13.403 10.280 54.771 .00 73.31 N

ATOM 1574 NH2 ARG A 315 15.510 9.573 55.241 .00 75.19 N

ATOM 1575 N ASP A 316 11.606 15.920 50.366 .00 33.16 N

ATOM 1576 CA ASP A 316 10.829 17.088 49.980 .00 31.33 C

ATOM 1577 C ASP A 316 9.646 16.655 49.104 1.00 27.82 C

ATOM 1578 O ASP A 316 8.522 17.114 49.294 1.00 26.17 o

ATOM 1579 CB ASP A 316 11.669 18.104 49.197 1.00 30.95 c

ATOM 1580 CG ASP A 316 12.728 18.818 50.019 1.00 39.54 c

ATOM 1581 ODl ASP A 316 12.700 18.764 51.273 1.00 38.72 o

ATOM 1582 OD2 ASP A 316 13.633 19.470 49.446 1.00 37.42 o

ATOM 1583 N ALA A 317 9.942 15.803 48.135 1.00 27.01 N

ATOM 1584 CA ALA A 317 8.997 15.272 47.180 1.00 28.09 c

ATOM 1585 C ALA A 317 7.926 14.428 47.869 1.00 26.67 c ATOM 1586 O ALA A 317 6.789 14.408 47.,388 1.00 28.12 O

ATOM 1587 CB ALA A 317 9. ,754 14. 392 46. .178 1. 00 26. .82 c

ATOM 1588 N ALA A 318 8. ,298 13. 681 48. .900 1. 00 23. .99 N

ATOM 1589 CA ALA A 318 7. ,347 12. 852 49. .636 1. ,00 25. .82 C

ATOM 1590 C ALA A 318 6. ,297 13. ,743 50. .298 1. ,00 25. .81 C

ATOM 1591 O ALA A 318 5. ,095 13. ,514 50. ,212 1. ,00 22. ,24 O

ATOM 1592 CB ALA A 318 8. .029 11. ,975 50. .683 1. ,00 22. .76 C

ATOM 1593 N TRP A 319 6. .750 14. ,828 50. .915 1. ,00 27. .14 N

ATOM 1594 CA TRP A 319 5. .878 15. ,824 51. .506 1. .00 27. .37 C

ATOM 1595 C TRP A 319 4. .951 16. ,464 50. .485 1. ,00 27. .86 C

ATOM 1596 O TRP A 319 3. .756 16. .643 50. .778 1. ,00 25. .82 O

ATOM 1597 CB TRP A 319 6. .705 16. .914 52. .257 1. .00 27. .20 C

ATOM 1598 CG TRP A 319 5. .661 17. .895 52. .737 1. .00 23. .54 C

ATOM 1599 CDI TRP A 319 5. .300 19. .090 52. .221 1. .00 31. .00 C

ATOM 1600 CD2 TRP A 319 4. .787 17. .653 53. .855 1. .00 26. .33 C

ATOM 1601 NE1 TRP A 319 4. .268 19. .630 52. .955 1. .00 30. .20 N

ATOM 1602 CE2 TRP A 319 3. .934 18. .765 53. .961 1. .00 27. .48 C

ATOM 1603 CE3 TRP A 319 4. .651 16. .609 54. .768 1. .00 27. .25 C

ATOM 1604 CZ2 TRP A 319 2, .951 18. .867 54, .952 1. .00 30. .08 C

ATOM 1605 CZ3 TRP A 319 3, .687 16. .705 55, .753 1. .00 29. .20 C

ATOM 1606 CH2 TRP A 319 2, .854 17. .830 55, .840 1. .00 30. .58 C

ATOM 1607 N ARG A 320 5. .426 16, .820 49. .281 1. .00 25. .20 N

ATOM 1608 CA ARG A 320 4. .508 17. .348 48. .274 1. .00 26. .73 C

ATOM 1609 C ARG A 320 3. .455 16. .330 47. .830 1. .00 26. .49 C

ATOM 1610 O ARG A 320 2. .304 16. .717 47. .505 1. .00 21. .45 O

ATOM 1611 CB ARG A 320 5. .295 17. .903 47. .075 1. .00 29. .35 C

ATOM 1612 CG ARG A 320 5. .883 19. .280 47, .365 1. .00 33. .26 C

ATOM 1613 CD ARG A 320 6, .493 19. .908 46, .109 1. .00 45. .39 C

ATOM 1614 NE ARG A 320 7, .809 19. .394 45, .893 1. .00 50. .03 N

ATOM 1615 CZ ARG A 320 8, .478 18. .445 45, .303 1. .00 49. .19 C

ATOM 1616 NHl ARG A 320 7, .914 17. .514 44, .545 1. .00 48. .83 N

ATOM 1617 NH2 ARG A 320 9. .791 18. .494 45, .511 1. .00 37. .01 N

ATOM 1618 N ALA A 321 3, .811 15, .056 47, .787 1. .00 22. .56 N

ATOM 1619 CA ALA A 321 2 .908 13, .979 47 .365 1. .00 24, .97 C

ATOM 1620 C ALA A 321 1 .827 13, .761 48 .434 1. .00 23, .35 C

ATOM 1621 O ALA A 321 0 .648 13, .622 48 .123 1. .00 18, .95 O

ATOM 1622 CB ALA A 321 3 .707 12, .704 47 .140 1. .00 20, .69 C

ATOM 1623 N LEU A 322 2 .263 13, .878 49 .689 1, .00 21, .23 N

ATOM 1624 CA LEU A 322 1. .320 13, .798 50 .819 1, .00 22, .33 C

ATOM 1625 C LEU A 322 0 .268 14, .884 50 .754 1, .00 19, .59 C

ATOM 1626 O LEU A 322 0 .945 14. .634 50 .829 1, .00 22, .22 o

ATOM 1627 CB LEU A 322 2 .070 13 .797 52 .137 1, .00 24, .22 c

ATOM 1628 CG LEU A 322 1 .267 13. .712 53 .447 1, .00 35, .99 c

ATOM 1629 CDI LEU A 322 0 .790 15. .090 53 .875 1, .00 36, .20 c

ATOM 1630 CD2 LEU A 322 0 .070 12. .790 53 .370 1, .00 37, .96 c

ATOM 1631 N GLU A 323 0 .695 16, .142 50 .649 1, .00 18, .12 N

ATOM 1632 CA GLU A 323 0 .207 17, .264 50 .517 1, .00 22, .64 C

ATOM 1633 C GLU A 323 ^■1 .170 17, .085 49 .355 1, .00 23, .80 C

ATOM 1534 O GLU A 323 ^■2 .365 17, .358 49 .476 1, .00 21, .59 O

ATOM 1635 CB GLU A 323 0 .516 18, .607 50 .286 1, .00 27, .81 c

ATOM 1636 CG GLU A 323 0 .815 19 .229 51 .648 1, .00 39 .05 c

ATOM 1637 CD GLU A 323 1 .379 20 .630 51 .504 1, .00 42 .80 c

ATOM 1638 OEl GLU A 323 0 .738 21 .571 52 .019 1 .00 50 .47 0

ATOM 1639 OE2 GLU A 323 2 .437 20 .756 50 .873 1 .00 46 .64 0

ATOM 1640 N THR A 324 0 .599 16 .700 48 .211 1 .00 22 .85 N

ATOM 1641 CA THR A 324 ^■1 .477 16 .507 47 .067 1 .00 25 .31 C

ATOM 1642 C THR A 324 2 .376 15 .294 47 .256 1 .00 24 .46 C ATOM 1643 O THR A 324 -3 511 15 470 46 776 1 00 21 95 O

ATOM 1644 CB THR A 324 -0 848 16 627 45 679 1 00 33 20 c

ATOM 1645 OGl THR A 324 -1 100 15 504 44 834 1 00 38 12 0

ATOM 1646 CG2 THR A 324 0 615 16 977 45 655 1 00 25 19 c

ATOM 1647 N ALA A 325 -2 066 14 201 47 921 1 00 22 36 N

ATOM 1648 CA ALA A 325 -3 008 13 099 48 046 1 00 20 90 c

ATOM 1649 C ALA A 325 -4 115 13 250 49 078 1 00 21 73 c

ATOM 1650 O ALA A 325 -5 130 12 557 48 972 1 00 20 37 O

ATOM 1651 CB ALA A 325 -2 260 11 815 48 383 1 00 19 63 c

ATOM 1652 N LEU A 326 -4 023 14 184 50 016 1 00 22 27 N

ATOM 1653 CA LEU A 326 -4 952 14 339 51 121 1 00 21 39 c

ATOM 1654 C LEU A 326 -6 421 14 346 50 758 1 00 22 47 C

ATOM 1655 O LEU A 326 -7 234 13 599 51 322 1 00 18 61 O

ATOM 1656 CB LEU A 326 -4 622 15 571 52 001 1 00 23 56 C

ATOM 1657 CG LEU A 326 -3 393 15 440 52 918 1 00 24 38 C

ATOM 1658 CDI LEU A 326 -3 094 16 734 53 666 1 00 24 61 C

ATOM 1659 CD2 LEU A 326 -3 522 14 328 53 951 1 00 19 12 c

ATOM 1660 N PRO A 327 -6 853 15 153 49 795 1 00 24 95 N

ATOM 1661 CA PRO A 327 -8 245 15 223 49 387 1 00 25 85 c

ATOM 1662 C PRO A 327 -8 768 13 973 48 699 1 00 26 37 c

ATOM 1663 O PRO A 327 -9 962 13 933 48 394 1 00 25 57 0

ATOM 1664 CB PRO A 327 -8 309 16 402 48 421 1 00 27 81 c

ATOM 1665 CG PRO A 327 -7 054 17 168 48 655 1 00 28 43 c

ATOM 1666 CD PRO A 327 -6 030 16 124 49 030 1 00 25 02 c

ATOM 1667 N TYR A 328 -7 947 12 968 48 417 1 00 22 84 N

ATOM 1668 CA TYR A 328 -8 336 11 730 47 771 1 00 25 35 C

ATOM 1669 C . TYR A 328 -8 215 10 555 48 732 1 00 24 .36 C

ATOM 1670 O TYR A 328 -8 522 9 413 48 382 1 00 23 17 O

ATOM 1671 CB TYR A 328 -7 532 11 508 46 458 1 00 28 29 c

ATOM 1672 CG TYR A 328 -7 596 12 783 45 618 1 00 31 27 c

ATOM 1673 GDI TYR A 328 -6 605 13 748 45 679 1 00 29 07 c

ATOM 1674 CD2 TYR A 328 -8 684 13 030 44 791 1 00 35 19 c

ATOM 1675 CEl TYR A 328 -6 692 14 908 44 936 1 00 31 .25 c

ATOM 1676 CE2 TYR A 328 -8 774 14 190 44 040 1 00 37 04 c

ATOM 1677 CZ TYR A 328 -7 774 15 .131 44 113 1 00 35 12 c

ATOM 1678 OH TYR A 328 -7 866 16 298 43 370 1 00 38 86 o

ATOM 1679 N MET A 329 -7 872 10 798 49 999 1 00 20 32 N

ATOM 1680 CA MET A 329 -7 744 9 749 50 996 1 00 19 64 C

ATOM 1681 C MET A 329 -9 .075 9 327 51 640 1 00 21 48 c

ATOM 1682 O MET A 329 -9 .401 9 678 52 .791 1 00 20 .14 o

ATOM 1683 CB MET A 329 -6 .729 10 103 52 090 1 00 18 22 c

ATOM 1684 CG MET A 329 -5 .294 10 325 51 561 1 00 17 93 c

ATOM 1685 SD MET A 329 -4 .679 8 980 50 523 1 00 22 63 S

ATOM 1686 CE MET A 329 -4 .648 7 570 51 590 1 00 21 69 c

ATOM 1687 N THR A 330 -9 .892 8 588 50 875 1 00 19 .48 N

ATOM 1688 CA THR A 330 11 .110 7 976 51 .423 1 00 23 39 C

ATOM 1689 C THR A 330 10 .784 6 746 52 254 1 00 24 25 C

ATOM 1690 O THR A 330 -9 .694 6 .165 52 .106 1 00 21 .88 O

ATOM 1691 CB THR A 330 12 .070 7 567 50 .287 1 00 23 .37 c

ATOM 1692 OGl THR A 330 11 .345 6 832 49 291 1 00 27 .52 0

ATOM 1693 CG2 THR A 330 12 .694 8 790 49 634 1 00 24 48 c

ATOM 1694 N ASP A 331 11 .700 6 287 53 137 1 00 22 .68 N

ATOM 1695 CA ASP A 331 11 .406 5 .131 53 964 1 00 23 94 C

ATOM 1696 C ASP A 331 11 .204 3 878 53 124 1 00 27 64 C

ATOM 1697 O ASP A 331 11 .978 3 648 52 200 1 00 26 13 o

ATOM 1698 CB ASP A 331 12 .531 4 868 54 996 1 00 27 25 c

ATOM 1699 CG ASP A 331 12 .682 6 .049 55 936 1 00 28 67 c ATOM 1700 ODl ASP A 331 11.,648 6.,665 56.,314 1.,00 22..02 O

ATOM 1701 OD2 ASP A 331 13. .809 6. ,403 56. .320 1. ,00 23. .02 O

ATOM 1702 N GLY A 332 10. .208 3. .054 53. .486 1. ,00 27. .14 N

ATOM 1703 CA GLY A 332 -9. .998 1. .856 52. .647 1. ,00 31. .88 C

ATOM 1704 C GLY A 332 -8. .779 2. .079 51. .738 1. .00 33. .20 C

ATOM 1705 O GLY A 332 -8. .271 1. .105 51. .195 1. .00 36. .22 O

ATOM 1706 N ARG A 333 -8. .343 3. .325 51. .577 1. .00 29. .85 N

ATOM 1707 CA ARG A 333 -7. .150 3. .587 50. .771 1. .00 28. .98 C

ATOM 1708 C ARG A 333 -5. .940 3. .665 51. .702 1. .00 28. .81 C

ATOM 1709 O ARG A 333 -6^". .020 4. .314 52. .757 1. .00 27. .10 0

ATOM 1710 CB ARG A 333 -7. .313 4. .855 49. .936 1. .00 21. .23 C

ATOM 1711 CG ARG A 333 -8. .289 4. .649 48. .770 1. .00 22. .18 c

ATOM 1712 CD ARG A 333 -8. .603 6. .002 48. .127 1. .00 27. .24 c

ATOM 1713 NE ARG A 333 -9. .388 5. .792 46. .913 1. .00 28. .16 N

ATOM 1714 CZ ARG A 333 -9. .669 6. .700 46. .001 1. .00 29. .44 C

ATOM 1715 NHl ARG A 333 -9. .238 7. .946 46. .120 1. .00 25. .59 N

ATOM 1716 NH2 ARG A 333 10. .385 6. .305 44. .950 1. .00 32. .96 N

ATOM 1717 N GLN A 334 -4. .858 2. .996 51. .311 1. .00 23. .91 N

ATOM 1718 CA GLN A 334 -3. .631 3. .100 52. .119 1. .00 24. .80 C

ATOM 1719 C GLN A 334 -2. .556 3. .768 51. .268 1. .00 22. .07 C

ATOM 1720 O GLN A 334 -2. .325 3. .388 50. .122 1. .00 21. .27 O

ATOM 1721 CB GLN A 334 -3. .228 1. .701 52. .579 1. .00 27. .44 c

ATOM 1722 CG GLN A 334 -2. .081 1. .563 53. .544 1. .00 35. .71 c

ATOM 1723 CD GLN A 334 -1. .770 0. .132 53. .949 1. .00 36. .75 c

ATOM 1724 OEl GLN A 334 -2, .203 -0. .855 53, .361 1. .00 40. .08 0

ATOM 1725 NE2 GLN A 334 -0, .991 -0. .010 55, .009 1. .00 35. .72 N

ATOM 1726 N LEU A 335 -1, .873 4, .760 51, .825 1. .00 22. .94 N

ATOM 1727 CA LEU A 335 -0, .760 5, .447 51, .195 1. .00 22. .18 C

ATOM 1728 C LEU A 335 0, .422 5, .458 52, .171 1. .00 24. .71 C

ATOM 1729 O LEU A 335 0, .286 5, .875 53, .323 1. .00 26. .88 O

ATOM 1730 CB LEU A 335 -1, .088 6, .872 50, .774 1. .00 18. .39 C

ATOM 1731 CG LEU A 335 0, .014 7, .678 50, .082 1. .00 27. .24 C

ATOM 1732 CDI LEU A 335 0, .429 7, .080 48, .746 1. .00 25. .89 C

ATOM 1733 CD2 LEU A 335 -0 .419 9, .127 49, .926 1. .00 22. .05 C

ATOM 1734 N ARG A 336 1, .515 4, .819 51, .776 1. .00 20. .64 N

ATOM 1735 CA ARG A 336 2 .686 4, .664 52, .640 1. .00 23. .02 C

ATOM 1736 C ARG A 336 3 .894 5 .257 51, .932 1. .00 20. .99 C

ATOM 1737 O ARG A 336 3 .857 5 .606 50, .754 1. .00 20, .79 O

ATOM 1738 CB ARG A 336 2 .921 3 .189 53, .046 1. .00 21, .44 C

ATOM 1739 CG ARG A 336 1 .916 2 .672 54, .067 1. .00 23, .01 C

ATOM 1740 CD ARG A 336 2 .118 1 .228 54 .498 1. .00 26, .32 c

ATOM 1741 NE ARG A 336 1 .909 0 .296 53 .393 1. .00 34, .60 N

ATOM 1742 CZ ARG A 336 2 .192 -0 .998 53 .359 1. .00 34, .34 C

ATOM 1743 NHl ARG A 336 2 .743 -1 .601 54 .412 1, .00 32, .66 N

ATOM 1744 NH2 ARG A 336 1 .926 -1 .711 52 .271 1. .00 34, .48 N

ATOM 1745 N PHE A 337 4 .909 5 .619 52 .722 1, .00 23, .22 N

ATOM 1746 CA PHE A 337 6 .065 6 .362 52 .272 1, .00 21, .89 C

ATOM 1747 C PHE A 337 7 .351 5 .642 52 .690 1, .00 23, .88 C

ATOM 1748 O PHE A 337 7 .651 5 .445 53 .871 1, .00 23, .86 0

ATOM 1749 CB PHE A 337 6 .088 7 .781 52 .891 1, .00 23, .38 c

ATOM 1750 CG PHE A 337 4 .916 8 .620 52 .453 1, .00 22, .54 c

ATOM 1751 CDI PHE A 337 3 .709 8 .541 53 .144 1, .00 25, .70 c

ATOM 1752 CD2 PHE A 337 5 .011 9 .461 51 .366 1, .00 19, .96 c

ATOM 1753 CEl PHE A 337 2 .616 9 .294 52, .747 1. .00 24. .83' c

ATOM 1754 CE2 PHE A 337 3 .914 10 .228 50, .977 1. .00 22. .17 c

ATOM 1755 CZ PHE A 337 2 .728 10 .141 51, .664 1. .00 26. . 96 c

ATOM 1756 N MET A 338 8 .041 5 .164 51, .673 1. .00 23. .03 N ATOM 1757 CA MET A 338 9..258 4..368 51..848 1..00 22..78 C

ATOM 1758 C MET A 338 10. .466 5. .224 51. .498 1. .00 21. .25 C

ATOM 1759 O MET A 338 10. .515 5. .804 50. .415 1. .00 23. .24 0

ATOM 1760 CB MET A 338 9. .144 3, .204 50, .869 1. .00 26. .70 C

ATOM 1761 CG MET A 338 10. .323 2, .245 50, .781 1. .00 32, .22 C

ATOM 1762 SD MET A 338 9. .879 0, .931 49, .610 1. .00 29, .85 S

ATOM 1763 CE MET A 338 8. .268 0. .540 50. .234 1. .00 41. .85 C

ATOM 1764 N PHE A 339 11. .447 5. .259 52. .376 1. .00 23. .95 N

ATOM 1765 CA PHE A 339 12. .636 6. .088 52. .146 1. .00 26. .29 C

ATOM 1766 C PHE A 339 13. .856 5. .155 52. .055 1. .00 26. .39 C

ATOM 1767 O PHE A 339 14. .048 4. .335 52. .954 1. .00 23. .14 o

ATOM 1768 CB PHE A 339 12. .784 7, .109 53. .282 1. .00 29. .69 c

ATOM 1769 CG PHE A 339 11. .692 8, .159 53. .251 1. .00 28. .06 c

ATOM 1770 CDI PHE A 339 10. .601 8, .086 54, .092 1. .00 31. .73 c

ATOM 1771 CD2 PHE A 339 11. .757 9, .191 52, .338 1. .00 30, .11 c

ATOM 1772 CEl PHE A 339 9. .602 9, .046 54, .042 1. .00 29, .33 c

ATOM 1773 CE2 PHE A 339 10. .779 10. .161 52. .278 1. .00 32. .74 c

ATOM 1774 CZ PHE A 339 9. .691 10. .088 53. .134 1. .00 30. .24 c

ATOM 1775 N LEU A 340 14. .493 5. .137 50. .900 1. .00 25. .38 N

ATOM 1776 CA LEU A 340 15. .637 4. .248 50. .713 1. .00 27. .28 C

ATOM 1777 C LEU A 340 16. .875 4, .808 51. .412 1. .00 26. .00 C

ATOM 1778 O LEU A 340 17. .026 6, .018 51, .607 1. .00 23. .43 0

ATOM 1779 CB LEU A 340 15. .844 4, .007 49, .216 1. .00 25, .68 C

ATOM 1780 CG LEU A 340 14. .637 3, .400 48, .466 1. .00 28, .83 c

ATOM 1781 CDI LEU A 340 14. .928 3, .293 46, .982 1. .00 22, .33 c

ATOM 1782 CD2 LEU A 340 14. .231 2, .048 49, .044 1. .00 27, .32 c

ATOM 1783 N PRO A 341 17, .828 3, .933 51, .707 1. .00 27, .88 N

ATOM 1784 CA PRO A 341 19. .101 4, .344 52. .286 1. .00 27. .07 C

ATOM 1785 C PRO A 341 19. .812 5, .383 51, .423 1. .00 25. .96 C

ATOM 1786 O PRO A 341 19. .807 5, .421 50, .187 1. .00 21. .03 0

ATOM 1787 CB PRO A 341 19. .890 3, .039 52, .425 1. .00 27. .35 c

ATOM 1788 CG PRO A 341 18. .906 1, .933 52, .281 1. .00 28. .46 c

ATOM 1789 CD PRO A 341 17. .762 2, .473 51, .463 1. .00 26. .90 c

ATOM 1790 N ASP A 342 20, .495 6, .336 52, .073 1. .00 26, .27 N

ATOM 1791 CA ASP A 342 21, .175 7, .413 51, .346 1. .00- 26, .94 C

ATOM 1792 C ASP A 342 22, .046 6, .881 50, .215 1. .00 26, .25 C

ATOM 1793 O ASP A 342 22, .756 5, .885 50, .367 1, .00 25, .24 0

ATOM 1794 CB ASP A 342 22. .007 8, .258 52, .325 1. .00 22. .76 c

ATOM 1795 CG ASP A 342 23. .099 7, .444 52, .983 1. .00 26. .30 c

ATOM 1796 ODl ASP A 342 22. .794 6, .518 53, .747 1. .00 32. .12 0

ATOM 1797 OD2 ASP A 342 24. .286 7, .739 52, .734 1. .00 27. .29 0

ATOM 1798 N GLY A 343 21, .910 7, .445 49, .030 1. .00 29. .46 N

ATOM 1799 CA GLY A 343 22, .698 7, .029 47, .873 1. .00 33, .53 C

ATOM 1800 C GLY A 343 22, .057 5, .939 47, .023 1, .00 33, .62 c

ATOM 1801 O GLY A 343 22, .568 5, .631 45, .943 1, .00 35, .10 0

ATOM 1802 N GLU A 344 21, .012 5, .281 47, .496 1, .00 31, .62 N

ATOM 1803 CA GLU A 344 20, .388 4, .214 46, .731 1, .00 29, .45 c

ATOM 1804 C GLU A 344 19, .160 4, .686 45, .970 1, .00 27, .25 C

ATOM 1805 O GLU A 344 18. .481 5, .616 46. .377 1. .00 26. .97 0

ATOM 1806 CB GLU A 344 19. .917 3, .105 47. .669 1. .00 31. .64 C

ATOM 1807 CG GLU A 344 20. .991 2, .506 48. .557 1. .00 29. .27 C

ATOM 1808 CD GLU A 344 21. .923 1, .581 47. .789 1. .00 32. .46 C

ATOM 1809 OEl GLU A 344 21. .700 1, .319 46, .595 1. .00 35. .24 0

ATOM 1810 OE2 GLU A 344 22. .875 1, .128 48, .455 1. .00 34. .24 0

ATOM 1811 N ASP A 345 18, .862 3, .958 44, .907 1. .00 28. .59 N

ATOM 1812 CA ASP A 345 17, .576 4, .058 44, .211 1. .00 26. .88 C

ATOM 1813 C ASP A 345 17. .123 2, .600 44, .088 1. .00 26. .16 C ATOM 1814 O ASP A 345 17.,864 1..670 44..427 1.,00 24.73 O

ATOM 1815 CB ASP A 345 17. .690 4. .780 42. .885 1. ,00 23. ,68 C

ATOM 1816 CG ASP A 345 18. .637 4. .067 41. .926 1. ,00 26. .49 C

ATOM 1817 ODl ASP A 345 18. .803 2. .833 42. .040 1. .00 28. ,86 O

ATOM 1818 OD2 ASP A 345 19. .204 4. .750 41. .060 1. .00 31. .68 O

ATOM 1819 N PRO A 346 15. .889 2. .342 43. .685 1. .00 25. .84 N

ATOM 1820 CA PRO A 346 15. .385 0. .982 43. .557 1. .00 25. .45 C

ATOM 1821 C PRO A 346 16. .298 0. .093 42. .728 1. .00 24. .12 C

ATOM 1822 O PRO A 346 16. .6.02 -1. .029 43. .109 1. .00 24. .95 0

ATOM 1823 CB PRO A 346 14. .013 1. .187 42. .907 1. .00 27. .09 c

ATOM 1824 CG PRO A 346 13. .585 2. .511 43. .479 1. .00 27. .02 c

ATOM 1825 CD PRO A 346 14. .851 3. .358 43. .386 1. .00 25. .52 c

ATOM 1826 N ASP A 347 16. .752 0, .565 41, .585 1. .00 25. .64 N

ATOM 1827 CA ASP A 347 17. .639 -0, .179 40, .694 1. .00 25. .88 C

ATOM 1828 C ASP A 347 18. .863 -0. .683 41. .431 1. .00 26. .09 C

ATOM 1829 O ASP A 347 19. .071 -1. .901 41. .494 1. .00 26. .92 O

ATOM 1830 CB ASP A 347 18. .024 0. .719 39. .506 1. .00 30. .47 C

ATOM 1831 CG ASP A 347 18. .811 0. .018 38, .420 1. .00 33. .82 C

ATOM 1832 ODl ASP A 347 19. .186 -1, .150 38, .636 1. .00 35. .40 O

ATOM 1833 OD2 ASP A 347 19, .059 0, .618 37, .348 1. .00 37. .32 0

ATOM 1834 N THR A 348 19, .635 0, .206 42, .093 1. .00 23. .51 N

ATOM 1835 CA THR A 348 20. .852 -0. .303 42. .737 1. .00 26. .60 C

ATOM 1836 C THR A 348 20. .558 -1. .163 43. .953 1. .00 27. .11 C

ATOM 1837 O THR A 348 21. .183 -2, .200 44, .223 1. .00 24. .50 O

ATOM 1838 CB THR A 348 21, .819 0, .837 43, .103 1. .00 27. .88 C

ATOM 1839 OGl THR A 348 21. .241 1, .609 44, .162 1. .00 27. .44 O

ATOM 1840 CG2 THR A 348 22. .066 1, .722 41, .884 1. .00 26. .11 c

ATOM 1841 N LEU A 349 19. .537 -0 .785 44, .723 1, .00 24. .14 N

ATOM 1842 CA LEU A 349 19. .236 -1, .526 45, .944 1. .00 26. .53 C

ATOM 1843 C LEU A 349 18, .659 -2, .911 45, .738 1. .00 25. .01 C

ATOM 1844 O LEU A 349 18, .996 -3, .845 46, .504 1. .00 25. .82 O

ATOM 1845 CB LEU A 349 18, .260 -0, .722 46, .802 1. .00 31. .15 c

ATOM 1846 CG LEU A 349 18, .412 -0 .627 48, .312 1. .00 41. .44 c

ATOM 1847 CDI LEU A 349 17, .031 -0 .589 48, .975 1, .00 39. .15 c

ATOM 1848 CD2 LEU A 349 19 .316 -1 .674 48, .927 1, .00 37. .39 c

ATOM 1849 N VAL A 350 17, .781 -3, .127 44. .766 1. .00 25. .72 N

ATOM 1850 CA VAL A 350 17, .189 -4, .473 44, .609 1. .00 23. .19 c

ATOM 1851 C VAL A 350 18, .250 -5 .474 44, .154 1. .00 27. .08 c

ATOM 1852 O VAL A 350 18 .196 -6 .662 44, .473 1, .00 26. .76 0

ATOM 1853 CB VAL A 350 16 .004 -4 .494 43 .634 1, .00 24. .14 c

ATOM 1854 CGI VAL A 350 16 .448 -4 .401 42 .178 1, .00 21, .49 c

ATOM 1855 CG2 VAL A 350 15 .135 -5 .725 43 .869 1, .00 22, .08 c

ATOM 1856 N ARG A 351 19 .271 -4 .992 43, .455 1. .00 28. .11 N

ATOM 1857 CA ARG A 351 20 .382 -5 .803 42, .969 1. .00 30. .16 c

ATOM 1858 C ARG A 351 21 .241 -6 .334 44 .109 1, .00 28, .90 C

ATOM 1859 O ARG A 351 21 .837 -7 .410 44 .034 1, .00 27, .55 O

ATOM 1860 CB ARG A 351 21 .271 -4 .958 42 .033 1, .00 29, .08 c

ATOM 1861 CG ARG A 351 20 .624 -4 .799 40 .659 1, .00 23, .43 c

ATOM 1862 CD ARG A 351 21 .453 -3 .842 39 .800 1, .00 27, .85 c

ATOM 1863 NE ARG A 351 20 .673 -3 .341 38 .671 1, .00 33. .65 N

ATOM 1864 CZ ARG A 351 20 .500 -4 .011 37 .535 1, .00 34. .98 c

ATOM 1865 NHl ARG A 351 21 .085 -5 .200 37 .438 1, .00 29. .46 N

ATOM 1866 NH2 ARG A 351 19 .774 -3 .491 36 .548 1, .00 27, .76 N

ATOM 1867 N LYS A 352 21 .270 -5 .600 45 .214 1, .00 28, .61 N

ATOM 1868 CA LYS A 352 21 .987 -6 .007 46 .411 1, .00 30, .44 C

ATOM 1869 C LYS A 352 21 .202 -6 .933 47 .320 1, .00 28, .33 C

ATOM 1870 O LYS A 352 21 .814 -7 .836 47, .897 1, .00 28. .57 O ATOM 1871 CB LYS A 352 22,.417 -4..750 47..195 1.,00 34..20 C

ATOM 1872 CG LYS A 352 23, .211 -3. .779 46. .322 1. .00 41. .27 C

ATOM 1873 CD LYS A 352 23, .421 -2. .469 47. .080 1. .00 49. .08 c

ATOM 1874 CE LYS A 352 24. .601 -1. .666 46. .566 1. .00 50. .15 c

ATOM 1875 NZ LYS A 352 24. .222 -0. .485 45. .756 1. .00 57. .07 N

ATOM 1876 N GLU A 353 19, .886 -6. .808 47. .471 1. .00 24. .94 N

ATOM 1877 CA GLU A 353 19, .211 -7. .673 48. .444 1. .00 24. .12 C

ATOM 1878 C GLU A 353 18. .151 -8. .595 47. .877 1. .00 24. .36 C

ATOM 1879 O GLU A 353 17, .779 -9. .502 48. .620 1. .00 26. .58 O

ATOM 1880 CB GLU A 353 18, .662 -6. .782 49, .574 1. .00 29. .08 C

ATOM 1881 CG GLU A 353 17, .675 -5, .750 49, .045 1. .00 24. .50 C

ATOM 1882 CD GLU A 353 17. .262 -4, .752 50, .121 1. .00 33. .16 C

ATOM 1883 OEl GLU A 353 16, .246 -4. .059 49. .918 1. .00 31. .00 O

ATOM 1884 OE2 GLU A 353 17, .914 -4, .619 51. .168 1. .00 27. .57 0

ATOM 1885 N GLY A 354 17, .709 -8, .470 46. .628 1. .00 25. .15 N

ATOM 1886 CA GLY A 354 16, .740 -9. .436 46. .100 1. .00 25. .11 C

ATOM 1887 C GLY A 354 15, .316 -9, .020 46. .455 1. .00 24. .29 c

ATOM 1888 O GLY A 354 15, .160 -8. .234 47. .391 1. .00 20. .65 0

ATOM 1889 N LYS A 355 14. .358 -9. .514 45. .700 1. .00 25. .37 N

ATOM 1890 CA LYS A 355 12, .946 -9. .217 45. .876 1. .00 25. .33 C

ATOM 1891 C LYS A 355 12, .462 -9, .416 47. .310 1. .00 27. .32 C

ATOM 1892 O LYS A 355 11, .728 -8, .564 47. .833 1. .00 24, .88 O

ATOM 1893 CB LYS A 355 12, .145 -10. .107 44. .922 1. .00 25. .04 C

ATOM 1894 CG LYS A 355 10, .638 -10. .214 45. .123 1. .00 30. .67 C

ATOM 1895 CD LYS A 355 10, .050 -11. .273 44. .191 1. .00 33. .38 C

ATOM 1896 CE LYS A 355 8, .538 -11, .109 44. .068 1. .00 40, .83 C

ATOM 1897 NZ LYS A 355 7, .856 -11. .421 45. .354 1. .00 50. .40 N

ATOM 1898 N GLU A 356 12, .687 -10. .606 47. .904 1. .00 25. .19 N

ATOM 1899 CA GLU A 356 12, .131 -10, .864 49. .229 1. .00 27. .59 C

ATOM 1900 C GLU A 356 12 .615 -9, .853 50. .264 1. .00 27. .54 C

ATOM 1901 O GLU A 356 11, .780 -9. .287 50. .991 1. .00 27. .69 O

ATOM 1902 CB GLU A 356 12, .381 -12. .313 49. .655 1. .00 32. .41 C

ATOM 1903 CG GLU A 356 11, .875 -12, .671 51. .032 1. .00 34. .91 C

ATOM 1904 CD GLU A 356 12, .162 -14, .119 51, .410 1. .00 44. .76 C

ATOM 1905 OEl GLU A 356 13, .214 -14. .668 50. .998 1. .00 37, .73 O

ATOM 1906 OE2 GLU A 356 11, .333 -14. .715 52, .126 1. .00 43, .90 O

ATOM 1907 N ALA A 357 13, .899 -9, .498 50, .311 1. .00 27. .50 N

ATOM 1908 CA ALA A 357 14, .351 -8. .462 51. .230 1. .00 30. .95 C

ATOM 1909 C ALA A 357 13, .818 -7. .069 50. .858 1. .00 29. .54 C

ATOM 1910 O ALA A 357 13, .607 -6. .231 51, .743 1. .00 29. .68 O

ATOM 1911 CB ALA A 357 15, .869 -8, .340 51, .359 1. .00 24. .03 c

ATOM . 1912 N PHE A 358 13, .746 -6. .751 49. .577 1. .00 24, .57 N

ATOM 1913 CA PHE A 358 13, .235 -5. .459 49, .149 1. .00 26, .68 C

ATOM 1914 C PHE A 358 11, .768 -5. .321 49, .568 1. .00 26. .56 C

ATOM 1915 O PHE A 358 11 .406 -4, .289 50, .142 1. .00 26. .66 O

ATOM 1916 CB PHE A 358 13, .362 -5. .296 47. .630 1. .00 23. .24 C

ATOM 1917 CG PHE A 358 13, .165 -3. .871 47, .190 1. .00 22. .94 c

ATOM 1918 CDI PHE A 358 14, .186 -2. .949 47, .302 1. .00 21. .80 c

ATOM 1919 CD2 PHE A 358 11 .946 -3, .466 46, .667 1. .00 22. .31 c

ATOM 1920 CEl PHE A 358 13, .987 -1. .644 46, .896 1. .00 29, .95 c

ATOM 1921 CE2 PHE A 358 11, .742 -2. .165 46. .263 1. .00 28. .34 c

ATOM 1922 CZ PHE A 358 12, .767 -1. .243 46, .387 1. .00 30. .22 c

ATOM 1923 N GLU A 359 10, .972 -6, .364 49, .340 1. .00 24. .74 N

ATOM 1924 CA GLU A 359 9, .567 -6. .382 49. .721 1. .00 26. .62 C

ATOM 1925 C GLU A 359 9, .369 -6. .312 51. .232 1. .00 31. .05 c

ATOM 1926 O GLU A 359 8, .457 -5. .594 51, .699 1. .00 30. .15 0

ATOM 1927 CB GLU A 359 8, .826 -7, .567 49, .109 1. .00 23. .46 c ATOM 1928 CG GLU A 359 8.677 -7.,404 47..581 1.00 25..72 C

ATOM 1929 CD GLU A 359 7. ,771 -8. ,454 46. .969 1. 00 30. .33 C

ATOM 1930 OEl GLU A 359 7. 761 -9. 613 47. .448 1. 00 27. .49 O

ATOM 1931 OE2 GLU A 359 7. ,061 -8. ,145 45. .995 1. 00 27. .04 O

ATOM 1932 N ALA A 360 10. ,303 -6. .859 52. .018 1. 00 29. ,35 N

ATOM 1933 CA ALA A 360 10. ,213 -6. .729 53. .468 1. 00 33. .12 C

ATOM 1934 C ALA A 360 10. .435 -5. .269 53. .865 1. 00 34. .54 C

ATOM 1935 O ALA A 360 9. .820 -4. .694 54. .760 1. 00 32. .90 O

ATOM 1936 CB ALA A 360 11. .242 -7. .604 54. .171 1. ,00 32. .09 C

ATOM 1937 N ARG A 361 11. .361 -4. .612 53. .171 1. .00 34. .98 N

ATOM 1938 CA ARG A 361 11. .704 -3. .205 53, .404 1. .00 34. .99 C

ATOM 1939 C ARG A 361 10. .508 -2. .332 53. .049 1. .00 36. .20 C

ATOM 1940 O ARG A 361 10. .100 -1. .396 53. .745 1. .00 33. .92 o

ATOM 1941 CB ARG A 361 12. .949 -2. .894 52. .581 1. .00 33. .14 c

ATOM 1942 CG ARG A 361 13. .323 -1. .448 52. .392 1. ,00 36. .13 c

ATOM 1943 CD ARG A 361 14. .369 -1. .264 51. .307 1. .00 28. .93 c

ATOM 1944 NE ARG A 361 15. .637 -1. .908 51, .626 1. .00 30. .42 N

ATOM 1945 CZ ARG A 361 16. .486 -1. .485 52, .559 1. .00 30. .50 C

ATOM 1946 NHl ARG A 361 16. .227 -0, .408 53, .301 1. .00 31. .65 N

ATOM 1947 NH2 ARG A 361 17. .620 -2. .120 52. .785 1. ,00 32. .45 N

ATOM 1948 N MET A 362 9. .782 -2. .764 52. .024 1. .00 36. .09 N

ATOM 1949 CA MET A 362 8. .531 -2. .185 51. .594 1. .00 38. .00 C

ATOM 1950 C MET A 362 7. .412 -2. .283 52, .617 1. .00 39. .98 C

ATOM 1951 O MET A 362 6. .640 -1. .333 52, .833 1. .00 39. .28 O

ATOM 1952 CB MET A 362 8. .137 -2, .873 50, .294 1. .00 42. .57 C

ATOM 1953 CG MET A 362 7. .003 -2, .312 49, .482 1. .00 40. .29 C

ATOM 1954 SD MET A 362 6. .790 -3, .247 47, .955 1. .00 34, .99 s

ATOM 1955 CE MET A 362 8. .444 -3, .246 47, .291 1. .00 30, .89 c

ATOM 1956 N GLU A 363 7. .380 -3. .377 53, .375 1. .00 39. .40 N

ATOM 1957 CA GLU A 363 6. .336 -3, .532 54, .394 1. .00 40. .23 C

ATOM 1958 C GLU A 363 6, .655 -2, .767 55, .664 1. .00 38. .82 C

ATOM 1959 O GLU A 363 5, .786 -2, .546 56, .514 1. .00 36. .36 O

ATOM 1960 CB GLU A 363 5, .946 -4, .998 54, .542 1. .00 43, .60 C

ATOM 1961 CG GLU A 363 5, .158 -5, .523 53 .328 1. .00 52, .24 C

ATOM 1962 CD GLU A 363 3, .962 -4 .640 53 .007 1. .00 53, .95 C

ATOM 1963 OEl GLU A 363 3, .289 -4 .226 53 .977 1. .00 54 .51 O

ATOM 1964 OE2 GLU A 363 3, .689 -4, .340 51, .828 1. .00 59, .16 0

ATOM 1965 N GLN A 364 7, .815 -2, .104 55, .739 1. .00 35, .54 N

ATOM 1966 CA GLN A 364 8, .142 -1, .196 56 .816 1. .00 34, .08 C

ATOM 1967 C GLN A 364 7, .892 0, .256 56, .410 1. .00 31, .85 C

ATOM 1968 O GLN A 364 8, .306 1, .175 57 .125 1. .00 31 .56 O

ATOM 1969 CB GLN A 364 9, .611 -1 .342 57 .247 1. .00 40 .41 C

ATOM 1970 CG GLN A 364 9 .943 -2 .739 57 .779 1. .00 46 .82 C

ATOM 1971 CD GLN A 364 9 .135 -3 .013 59 .039 1, .00 54 .73 C

ATOM 1972 OEl GLN A 364 9, .359 -2, .332 60 .046 1. .00 56, .27 O

ATOM 1973 NE2 GLN A 364 8, .214 -3 .964 58 .991 1. .00 56 .23 N

ATOM 1974 N ALA A 365 7, .307 0 .493 55 .231 1. .00 25 .37 N

ATOM 1975 CA ALA A 365 7 .051 1 .864 54 .802 1, .00 24 .59 C

ATOM 1976 C ALA A 365 6 .200 2 .597 55 .845 1, .00 22 .51 G

ATOM 1977 O ALA A 365 5 .482 2 .038 56 .658 1, .00 22 .99 O

ATOM 1978 CB ALA A 365 6 .407 1 .951 53 .434 1, .00 20 .40 C

ATOM 1979 N MET A 366 6 .426 3 .896 55 .917 1, .00 25 .03 N

ATOM 1980 CA MET A 366 5 .774 4 .736 56 .929 1, .00 28 .73 C

ATOM 1981 C MET A 366 4, .333 5, .007 56 .531 1, .00 26 .13 C

ATOM 1982 O MET A 366 4, .077 5 .562 55 .466 1, .00 25 .19 0

ATOM 1983 CB MET A 366 6, .564 6 .028 56 .988 1, .00 31 .38 c

ATOM 1984 CG MET A 366 6 .204 7 .147 57 .932 1, .00 42 .59 c ATOM 1985 SD MET A 366 7.547 8.379 57.937 1.00 41.52 S

ATOM 1986 CE MET A 366 8.871 7.466 58.710 1.00 44.84 C

ATOM 1987 N PRO A 367 414 4.711 57.434 1.00 28.07 N

ATOM 1988 CA PRO A 367 016 5. .074 57.267 1.00 26.94 C

ATOM 1989 C PRO A 367 875 6. .581 57.089 1.00 24.95 C

ATOM 1990 O PRO A 367 687 7. .409 57.535 1.00 22.37 O

ATOM 1991 CB PRO A 367 1.361 4. .619 58.564 1.00 29.44 C

ATOM 1992 CG PRO A 367 2.300 3. .680 59.208 00 29.39 C

ATOM 1993 CD PRO A 367 3.679 4. .087 58.757 00 29.23 C

ATOM 1994 N LEU A 368 0.786 6. .994 56.470 00 23.66 N

ATOM 1995 CA LEU A 368 0.486 8.391 56.192 00 24.84 C

ATOM 1996 C LEU A 368 0.518 9.255 57.444 00 22.67 C

ATOM 1997 O LEU A 368 1.052 10.369 57.410 00 21.18 O

ATOM 1998 CB LEU A 368 -0.827 8.539 55.415 00 25.54 C

ATOM 1999 CG LEU A 368 -1. 260 9.978 55.086 00 28.28 C

ATOM 2000 GDI LEU A 368 -2.114 10.006 53.831 00 34.78 C

ATOM 2001 CD2 LEU A 368 -2.040 10.590 56.253 00 26.27 C

ATOM 2002 N SER A 369 0.149 8.811 58.503 00 22.99 N

ATOM 2003 CA SER A 369 0.222 9.509 59.766 00 23.93 C

ATOM 2004 C SER A 369 1.176 9.705 60.346 00 26.34 C

ATOM 2005 O SER A 369 1.447 10.799 60.838 00 24.70 O

ATOM 2006 CB SER A 369 1.03.1 8.751 60.823 00 33.36 C

ATOM 2007 OG SER A 369 1.^246 9.595 61.966 00 37.04 O

ATOM 2008 N ALA A 370 2.016 8.662 60.328 00 25.05 N

ATOM 2009 CA ALA A 370 366 8.832 60.879 00 27.33 C

ATOM 2010 C ALA A 370 207 9.820 60.090 00 26.65 C

ATOM 2011 O ALA A 370 921 10.671 60.651 00 26.84 O

ATOM 2012 CB ALA A 370 031 458 60.980 00 28.52 C

ATOM 2013 N PHE A 371 097 ,786 58.761 1.00 24.43 N

ATOM 2014 CA PHE A 371 855 10.725 57.927 1. 00 24.16 C

ATOM 2015 C PHE A 371 354 12.143 58.148 1.00 23.33 C

ATOM 2016 O PHE A 371 086 13.128 58.224 1.00 21.17 O

ATOM 2017 CB PHE A 371 825 10.324 56.452 1.00 24.91 C

ATOM 2018 CG PHE A 371 592 11.263 55.554 1.00 24.30 C

ATOM 2019 CDI PHE A 371 940 11.516 55.777 1.00 27.32 C

ATOM 2020 CD2 PHE A 371 960 11.888 54.501 1.00 26.95 C

ATOM 2021 CEl PHE A 371 640 12.377 54.951 1.00 27.84 C

ATOM 2022 CE2 PHE A 371 653 12.763 53.674 1.00 29.46 C

ATOM 2023 CZ PHE A 371 994 13.006 53.902 1.00 28.04 C

ATOM 2024 N LEU A 372 027 12.289 58.274 1.00 22.90 N

ATOM 2025 CA LEU A 372 2.451 13.621 58.497 1.00 20.81 C

ATOM 2026 C LEU A 372 3.034 14.254 59.759 1.00 23.03 C

ATOM 2027 0 LEU A 372 3.543 15.378 59.723 1.00 19.92 o

ATOM 2028 CB LEU A 372 0.938 13.497 58.662 1.00 20.93 c

ATOM 2029 CG LEU A 372 0.208 14.715 59.240 1.00 31.00 c

ATOM 2030 CDI LEU A 372 0.266 15.885 58.282 1.00 23.28 c

ATOM 2031 CD2 LEU A 372 1.237 14.327 59.549 1.00 34.46 c

ATOM 2032 N PHE A 373 2.887 13.533 60.884 1.00 21.79 N

ATOM 2-033 CA PHE A 373 3.406 14.067 62.149 1.00 22.93 C

ATOM 2034 C PHE A 373 4.916 14.128 62.256 1.00 25.82 C

ATOM 2035 0 PHE A 373 5.440 15.091 62.841 1.00 25.75 o

ATOM 2036 CB PHE A 373 2.808 13.238 63.298 1.00 23.82 c

ATOM 2037 CG PHE A 373 1.326 13.527 63.419 1.00 24.70 c

ATOM 2038 CDI PHE A 373 0.395 12.543 63.142 1.00 27.77 c

ATOM 2039 CD2 PHE A 373 0.898 14.788 63.802 1.00 25.72 c

ATOM 2040 CEl PHE A 373 0.960 12.837 63.263 1.00 29.87 c

ATOM 2041 CE2 PHE A 373 0.455 15.084 63.922 1.00 30.52 c ATOM 2042 CZ PHE A 373 -1..385 14.099 63.647 1.00 28.07 C

ATOM 2043 N ASN A 374 5..629 13.205 61.612 1.00 24.93 N

ATOM 2044 CA ASN A 374 7.087 13.236 61.583 1.00 28.01 C

ATOM 2045 C ASN A 374 7.581 14.521 60.918 1.00 27.68 C

ATOM 2046 O ASN A 374 8.610 15.088 61.311 00 28.63 O

ATOM 2047 CB ASN A 374 7.684 12.055 60.797 00 25.07 c

ATOM 2048 CG ASN A 374 7.742 10.736 61.516 00 31.70 c

ATOM 2049 ODl ASN A 374 8.209 9.746 60.928 00 37.39 o

ATOM 2050 ND2 ASN A 374 7.288 10.678 62.756 00 27.41 N

ATOM 2051 N SER A 375 6..897 14.931 59.858 1.00 24.11 N

ATOM 2052 CA SER A 375 7, .258 16.110 59.098 1.00 27.58 C

ATOM 2053 C SER A 375 6..922 17.404 59.826 1.00 27.32 C

ATOM 2054 O SER A 375 7..513 18.452 59.537 1.00 24.60 O

ATOM 2055 CB SER A 375 6.584 16.112 57.711 1.00 24.37 C

ATOM 2056 OG SER A 375 6.859 14.912 56.994 1.00 24.08 O

ATOM 2057 N LEU A 376 5.867 17.400 60.642 1.00 26.80 N

ATOM 2058 CA LEU A 376 5..459 18.642 61.301 1.00 30.37 C

ATOM 2059 C LEU A 376 6..092 18.865 62.669 1.00 31.20 C

ATOM 2060 O LEU A 376 6..487 19.987 62.986 1.00 32.02 o

ATOM 2061 CB LEU A 376 3.934 18.717 61.465 1. 00 26.09 c

ATOM 2062 CG LEU A 376 3.094 18.818 60.188 1.00 30.76 c

ATOM 2063 CDI LEU A 376 1..610 18.894 60.514 1, 00 23.29 c

ATOM 2064 CD2 LEU A 376 3.500 20.011 59.341 1.00 29.16 c

ATOM 2065 N MET A 377 6..229 17.829 63.468 1.00 31.77 N

ATOM 2066 CA MET A 377 6..776 17.884 64.804 1.00 32.67 c

ATOM 2067 C MET A 377 8.082 18.576 65.003 1, 00 33.93 c

ATOM 2068 O MET A 377 8.103 19.482 65.839 1.00 31.22 o

ATOM 2069 CB MET A 377 6.805 16.438 65.368 1.00 34.88 c

ATOM 2070 CG MET A 377 5.269 16.566 65.515 1.00 49.67 c

ATOM 2071 SD MET A 377 4.937 17.285 67.149 1, 00 52.97 s

ATOM 2072 CE MET A 377 6.233 16.652 68.224 1, 00 59.80 c

ATOM 2073 N PRO A 378 9.090 18.272 64.212 1.00 36.27 N

ATOM 2074 CA PRO A 378 10.354 18.977 64.232 1.00 37.92 C

ATOM 2075 C PRO A 378 10.234 20.481 64.131 1.00 38.99 C

ATOM 2076 O PRO A 378 11.012 21.254 64.711 1.00 39.14 o

ATOM 2077 CB PRO A 378 11.092 18.423 63.001 1.00 37.17 C

ATOM 2078 CG PRO A 378 10.578 17.022 62.908 1.00 36.48 c

ATOM 2079 CD PRO A 378 9.110 17.148 63.237 1.00 36.39 c

ATOM 2080 N GLN A 379 9.252 21.004 63.406 1.00 40.09 N

ATOM 2081 CA GLN A 379 9.000 22.408 63.210 1, 00 41.32 C

ATOM 2082 C GLN A 379 8.551 23.120 64.480 1, 00 41.99 C

ATOM 2083 O GLN A 379 8.413 24.354 64.481 1.00 41.02 O

ATOM 2084 CB GLN A 379 7..867 22.654 62.193 1.00 46.80 c

ATOM 2085 CG GLN A 379 8..131 22.213 60.775 1.00 51.74 c

ATOM 2086 CD GLN A 379 6..971 22.468 59.834 1, 00 54.36 c

ATOM 2087 OEl GLN A 379 5, .953 23.064 60.175 1, 00 62.08 o

ATOM 2088 NE2 GLN A 379 7.125 21.996 58.603 1.00 57.73 N

ATOM 2089 N VAL A 380 8.064 22.393 65.495 1.00 39.64 N

ATOM 2090 CA VAL A 380 7.518 23.044 66.670 1.00 35.23 C

ATOM 2091 C VAL A 380 8.160 22.626 67.987 1.00 35.24 C

ATOM 2092 O VAL A 380 8.719 21.552 68.183 1 00 36.38 O

ATOM 2093 CB VAL A 380 5.987 22.849 66.781 1 00 38.42 C

ATOM 2094 CGI VAL A 380 5.239 23.402 65.573 1 00 34.83 C

ATOM 2095 CG2 VAL A 380 5.620 21.381 66.989 1, 00 34.35 c

ATOM 2096 N ASP A 381 8.050 23.516 68.974 1 00 33.47 N

ATOM 2097 CA ASP A 381 8.560 23.238 70.323 1 00 33.38 C

ATOM 2098 C ASP A 381 7.353 22.909 71.195 1 00 34.58 C ATOM 2099 O ASP A 381 6.620 23.780 71.677 1.00 33.,51 O

ATOM 2100 CB ASP A 381 9. 363 24. 403 70. 874 1. 00 39. .19 C

ATOM 2101 CG ASP A 381 9. 751 24. 263 72. ,332 1. 00 42. .96 c

ATOM 2102 ODl ASP A 381 9. ,377 23. ,276 73. .017 1. 00 38. .43 0

ATOM 2103 OD2 ASP A 381 10. ,451 25. .169 72. .830 1. 00 41. .98 0

ATOM 2104 N LEU A 382 7. ,130 21. .604 71. .415 1. 00 31. .69 N

ATOM 2105 CA LEU A 382 5. .917 21. ,169 72. .089 1. 00 35. .12 C

ATOM 2106 C LEU A 382 5. .898 21. .429 73. .580 1. ,00 37. .05 C

ATOM 2107 O LEU A 382 4. .842 21. .262 74. .189 1. ,00 33. .52 O

ATOM 2108 CB LEU A 382 5. .541 19. .726 71. .756 1. ,00 40. .08 C

ATOM 2109 CG LEU A 382 4. .233 19. .516 70. .976 1. ,00 42. .13 C

ATOM 2110 CDI LEU A 382 3. .929 20. .573 69. .936 1. ,00 43. .97 C

ATOM 2111 CD2 LEU A 382 4. .230 18. .133 70. .350 1. .00 37. .57 c

ATOM 2112 N SER A 383 6. .995 21. .919 74. .160 1. .00 38, .33 N

ATOM 2113 CA SER A 383 6. .959 22. .340 75. .551 1. .00 41. .34 c

ATOM 2114 C SER A 383 6. .370 23. .739 75. .676 1. .00 45, .01 c

ATOM 2115 O SER A 383 6. .172 24. .103 76. .840 1. .00 47, .34 O

ATOM 2116 CB SER A 383 8. .315 22. .237 76. .250 1. .00 33, .97 C

ATOM 2117 OG SER A 383 9. .241 23. .179 75. .735 1. .00 29, .58 O

ATOM 2118 N THR A 384 6. .137 24. .526 74, .634 1. .00 46, .24 ,N

ATOM 2119 CA THR A 384 5. .531 25. .842 74, .764 1. .00 48, .73 C

ATOM 2120 C THR A 384 4. .082 25. .824 74. .266 1. .00 52, .88 C

ATOM 2121 O THR A 384 3. .668 24. .938 73. .527 1. .00 51, .43 o

ATOM 2122 CB THR A 384 6. .255 26. .993 74. .043 1. .00 44, .58 c

ATOM 2123 OGl THR A 384 6. .401 26. .737 72. .643 1. .00 46, .20 0

ATOM 2124 CG2 THR A 384 7. .620 27. .199 74. .680 1. .00 42, .37 c

ATOM 2125 N PRO A 385 3. .327 26. .843 74. .656 1. .00 56, .40 N

ATOM 2126 CA PRO A 385 1. .924 26. .988 74, .304 1. .00 57, .46 C

ATOM 2127 C PRO A 385 1. .764 27. .404 72. .850 1. .00 56, .38 C

ATOM 2128 O PRO A 385 0, .931 26. .891 72, .115 1. .00 56, .72 O

ATOM 2129 CB PRO A 385 1, .426 28. .078 75, .247 1. .00 58, .28 C

ATOM 2130 CG PRO A 385 2, .629 28, .940 75, .466 1. .00 58, .61 c

ATOM 2131 CD PRO A 385 3, .785 27, .972 75, .520 1. .00 58 .08 c

ATOM 2132 N ASP A 386 2, .691 28, .255 72, .430 1. .00 54 .34 N

ATOM 2133 CA ASP A 386 2, .796 28. .694 71, .050 1. .00 53 .59 C

ATOM 2134 C ASP A 386 3 .392 27. .607 70, .159 1. .00 49 .27 C

ATOM 2135 O ASP A 386 3 .176 27, .673 68, .949 1. .00 47 .22 O

ATOM 2136 CB ASP A 386 3 .628 29 .975 70 .986 1. .00 59 .02 C

ATOM 2137 CG ASP A 386 3 .171 30, .977 72 .037 1, .00 67 .42 C

ATOM 2138 ODl ASP A 386 1 .983 30 .985 72 .432 1, .00 70 .32 O

ATOM 2139 OD2 ASP A 386 4 .036 31 .762 72 .473 1, .00 68 .33 O

ATOM 2140 N GLY A 387 4 .144 26 .666 70 .727 1, .00 44 .97 N

ATOM 2141 CA GLY A 387 4, .643 25, .558 69, .896 1. .00 42 .45 C

ATOM 2142 C GLY A 387 3 .476 24, .596 69, .665 1. .00 39 .94 C

ATOM 2143 O GLY A 387 3 .128 24, .274 68, .539 1. .00 40 .27 O

ATOM 2144 N ARG A 388 2 .784 24, .252 70, .750 1. .00 38 .59 N

ATOM 2145 CA ARG A 388 1 .703 23 .292 70 .740 1. .00 43 .30 C

ATOM 2146 C ARG A 388 0 .553 23 .817 69 .877 1, .00 43 .91 C

ATOM 2147 O ARG A 388 -0 .133 23 .108 69 .135 1, .00 43 .01 0

ATOM 2148 CB ARG A 388 1 .151 22 .978 72 .127 1, .00 46 .73 c

ATOM 2149 CG ARG A 388 1 .971 22 .115 73 .070 1, .00 56 .08 c

ATOM 2150 CD ARG A 388 1 .036 21 .390 74 .022 1, .00 62 .88 c

ATOM 2151 NE ARG A 388 1 .596 20 .910 75 .263 1, .00 72 .91 N

ATOM 2152 CZ ARG A 388 2 .086 21 .629 76 .266 1, .00 75 .08 C

ATOM 2153 NHl ARG A 388 2 .111 22 .953 76 .206 1, .00 73 .77 N

ATOM 2154 NH2 ARG A 388 2 .561 21 .029 77 .352 1, .00 78 .32 N

ATOM 2155 N ALA A 389 0 .309 25 .122 70 .043 1, .00 42 .67 N ATOM 2156 CA ALA A 389 -0..758 25..773 69..291 1.,00 41..13 C

ATOM 2157 C ALA A 389 -0. .343 25. .972 67. .838 1. .00 39. .70 C

ATOM 2158 O ALA A 389 -1. ,154 25. .913 66. .904 1. .00 35. .32 O

ATOM 2159 CB ALA A 389 -1. .187 27. .076 69. .924 1. .00 42. .67 C

ATOM 2160 N ARG A 390 0. .958 26. .104 67. .579 1. ,00 35. .82 N

ATOM 2161 CA ARG A 390 1. .463 26. .185 66. .220 1. .00 35. .80 C

ATOM 2162 C ARG A 390 1. .341 24. .834 65. .504 1. .00 36. .18 C

ATOM 2163 O ARG A 390 1. .150 24. .772 64. .285 1. .00 33. .92 0

ATOM 2164 CB ARG A 390 2. .895 26. .689 66. .191 1. .00 36. .42 c

ATOM 2165 CG ARG A 390 3. .591 26. .678 64. .853 1. .00 44. .74 c

ATOM 2166 CD ARG A 390 3. .180 27. .803 63. .913 1. .00 54. .04 c

ATOM 2167 NE ARG A 390 4. .039 27. .798 62. .734 1. .00 60. .36 N

ATOM 2168 CZ ARG A 390 3. .856 28. .428 61. .585 1. .00 62. .51 C

ATOM 2169 NHl ARG A 390 2. .784 29. .183 61. .383 1. .00 65. .63 N

ATOM 2170 NH2 ARG A 390 4. .746 28. .314 60. .608 1. .00 64. .26 N

ATOM ' 2171 N LEU A 391 1. .408 23. .717 66. .247 1. .00 32. .19 N

ATOM 2172 CA LEU A 391 1. .204 22, .417 65. .638 1. .00 32. .15 C

ATOM 2173 C LEU A 391 -0, .232 22, .275 65. .127 1. .00 30. .57 C

ATOM 2174 O LEU A 391 -0, .524 21, .685 64, .097 1. .00 27. .21 O

ATOM 2175 CB LEU A 391 1. .507 21. .242 66. .580 1. .00 25. .92 C

ATOM 2176 CG LEU A 391 1. .385 19, .877 65. .879 1. .00 27. .45 C

ATOM 2177 CDI LEU A 391 2. .388 19, .699 64, .757 1. .00 33. .25 C

ATOM 2178 CD2 LEU A 391 1, .510 18, .772 66, .919 1. .00 33. .94 C

ATOM 2179 N SER A 392 -1, .168 22, .783 65, .922 1. .00 32. .27 N

ATOM 2180 CA SER A 392 -2. .576 22, .861 65, .569 1. .00 33. .39 C

ATOM 2181 C SER A 392 -2. .840 23, .613 64. .269 1. .00 32. .18 C

ATOM 2182 O SER A 392 -3, .513 23, .089 63, .384 1. .00 33. .14 O

ATOM 2183 CB SER A 392 -3, .336 23, .601 66, .696 1. .00 35. .34 c

ATOM 2184 OG SER A 392 -4, .071 22 .588 67, .363 1. .00 39. .20 O

ATOM 2185 N THR A 393 -2, .259 24, .797 64. .150 1. .00 29. .84 N

ATOM 2186 CA THR A 393 -2, .358 25, .598 62, .933 1. .00 33. .26 C

ATOM 2187 C THR A 393 -1, .841 24, .868 61, .698 1. .00 31. .02 C

ATOM 2188 O THR A 393 -2, .457 25 .004 60, .645 1, .00 30. .67 O

ATOM 2189 CB THR A 393 -1 .575 26 .921 63 .097 1. .00 38. .72 C

ATOM 2190 OGl THR A 393 -2, .218 27, .643 64, .167 1. .00 43. .70 0

ATOM 2191 CG2 THR A 393 -1, .587 27, .765 61, .836 1. .00 41. .54 c

ATOM 2192 N LEU A 394 -0, .724 24 .177 61, .833 1. .00 27. .74 N

ATOM 2193 CA LEU A 394 -0 .147 23 .414 60 .741 1. .00 27. .60 C

ATOM 2194 C LEU A 394 -0 .979 22 .201 60 .371 1. .00 25, .83 c

ATOM 2195 O LEU A 394 -1 .121 21 .911 59 .181 1, .00 27, .50 0

ATOM 2196 CB LEU A 394 1, .259 22 .960 61, .175 1. .00 28. .69 c

ATOM 2197 CG LEU A 394 2, .334 24 .064 61, .227 1, .00 35. .84 c

ATOM 2198 GDI LEU A 394 3 .609 23 .460 61 .806 1, .00 30, .49 c

ATOM 2199 CD2 LEU A 394 2 .595 24 .697 59 .867 1, .00 33, .56 c

ATOM 2200 N ALA A 395 -1 .413 21 .416 61 .367 1, .00 21, .95 N

ATOM 2201 CA ALA A 395 -2, .014 20 .125 61, .065' 1, .00 23, .91 C

ATOM 2202 C ALA A 395 -3 .504 20 .122 60, .772 1, .00 22, .87 c

ATOM 2203 O ALA A 395 -3 .955 19 .356 59 .916 1, .00 23, .84 0

ATOM 2204 CB ALA A 395 -1 .692 19 .157 62 .214 1, .00 25, .26 c

ATOM 2205 N LEU A 396 -4 .275 20 .990 61 .413 1, .00 22, .17 N

ATOM 2206 CA LEU A 396 -5 .730 21 .007 61, .236 1. .00 24. .08 c

ATOM 2207 C LEU A 396 -6 .236 21 .264 59 .828 1, .00 24, .81 c

ATOM 2208 O LEU A 396 -7 .103 20 .506 59 .366 1, .00 23, .94 0

ATOM 2209 CB LEU A 396 -6 .398 21 .960 62 .230 1, .00 28. .17 c

ATOM 2210 CG LEU A 396 -6 .590 21 .414 63 .655 1, .00 32, .27 c

ATOM 2211 CDI LEU A 396 -7 .353 22 .450 64 .476 1, .00 37, .56 c

ATOM 2212 CD2 LEU A 396 -7, .368 20 .101 63, .694 1. .00 29. .29 c ATOM 2213 N PRO A 397 -5 703 22 217 59 088 1 00 25 03 N

ATOM 2214 CA PRO A 397 -6 074 22 424 57 699 1 00 27 21 C

ATOM 2215 C PRO A 397 -5 756 21 226 56 811 1 00 26 39 C

ATOM 2216 O PRO A 397 -6 411 21 034 55 781 1 00 30 07 O

ATOM 2217 CB PRO A 397 -5 292 23 653 57 258 1 00 27 01 C

ATOM 2218 CG PRO A 397 -4 789 24 301 58 503 1 00 29 34 C

ATOM 2219 CD PRO A 397 -4 697 23 207 59 546 1 00 29 09 C

ATOM 2220 N LEU A 398 -4 755 20 413 57 124 1 00 23 43 N

ATOM 2221 CA LEU A 398 -4 400 19 242 56 325 1 00 20 35 C

ATOM 2222 C LEU A 398 -5 359 18 096 56 594 1 00 22 60 C

ATOM 2223 O LEU A 398 -6 034 17 519 55 737 1 00 20 14 O

ATOM 2224 CB LEU A 398 -2 948 18 867 56 658 1 00 21 70 C

ATOM 2225 CG LEU A 398 -1 908 19 895 56 222 1 00 26 62 C

ATOM 2226 CDI LEU A 398 -0 540 19 551 56 803 1 00 23 00 C

ATOM 2227 CD2 LEU A 398 -1 848 19 994 54 698 1 00 28 12 C

ATOM 2228 N ILE A 399 -5 555 17 806 57 884 1 00 22 80 N

ATOM 2229 CA ILE A 399 -6 501 16 816 58 364 1 00 23 07 C

ATOM 2230 C ILE A 399 -7 915 17 113 57 870 1 00 24 16 C

ATOM 2231 O ILE A 399 -8 617 16 192 57 407 1 00 24 11 O

ATOM 2232 CB ILE A 399 -6 495 16 734 59 901 1 00 25 76 C

ATOM 2233 CGI ILE A 399 -5 163 16 111 60 377 1 00 26 86 C

ATOM 2234 CG2 ILE A 399 -7 666 15 912 60 427 1 00 20 42 c

ATOM 2235 CDI ILE A 399 -4 893 16 411 61 849 1 00 27 48 c

ATOM 2236 N SER A 400 -8 336 18 372 57 878 1 00 23 61 N

ATOM 2237 CA SER A 400 -9 670 18 713 57 391 1 00 27 40 C

ATOM 2238 C SER A 400 -9 843 18 486 55 890 1 00 27 80 C

ATOM 2239 0 SER A 400 11 025 18 463 55 488 1 00 25 46 O

ATOM 2240 CB SER A 400 10 102 20 137 57 750 1 00 30 54 C

ATOM 2241 OG SER A 400 -9 536 21 126 56 896 1 00 33 44 O

ATOM 2242 N GLN A 401 -8 822 18 166 55 092 1 00 26 12 N

ATOM 2243 CA GLN A 401 -9 041 17 900 53 683 1 00 26 30 C

ATOM 2244 C GLN A 401 -9 431 16 456 53 424 1 00 25 17 C

ATOM 2245 O GLN A 401 -9 894 16 113 52 338 1 00 24 68 O

ATOM 2246 CB GLN A 401 -7 759 18 153 52 853 1 00 23 23 C

ATOM 2247 CG GLN A 401 -7 361 19 628 52 916 1 00 31 03 C

ATOM 2248 CD GLN A 401 -6 119 19 903 52 088 1 00 32 70 C

ATOM 2249 OEl GLN A 401 -6 025 19 477 50 945 1 00 32 90 O

ATOM 2250 NE2 GLN A 401 -5 200 20 632 52 712 1 00 37 99 N

ATOM 2251 N VAL A 402 -9 083 15 576 54 357 1 .00 24 04 N

ATOM 2252 CA VAL A 402 -9 288 14 143 54 166 1 .00 24 33 C

ATOM 2253 C VAL A 402 10 761 13 796 54 114 1 00 24 86 c

ATOM 2254 O VAL A 402 11 466 14 059 55 089 1 .00 22 89 0

ATOM 2255 CB VAL A 402 -8 564 13 399 55 310 1 .00 30 49 c

ATOM 2256 CGI VAL A 402 -8 .889 11 927 55 405 1 .00 26 91 c

ATOM 2257 CG2 VAL A 402 -7 054 13 614 55 133 1 00 22 36 c

ATOM 2258 N PRO A 403 11 185 13 112 53 056 1 00 25 95 N

ATOM 2259 CA PRO A 403 12 .572 12 712 52 886 1 00 25 65 c

ATOM 2260 C PRO A 403 12 978 11 513 53 726 1 00 27 41 C

ATOM 2261 O PRO A 403 14 135 11 406 54 154 1 00 26 49 0

ATOM 2262 CB PRO A 403 12 .701 12 369 51 404 1 00 26 62 c

ATOM 2263 CG PRO A 403 11 319 12 .052 50 941 1 .00 25 97 c

ATOM 2264 CD PRO A 403 10 390 12 868 51 816 1 00 24 17 c

ATOM 2265 N GLY A 404 12 048 10 .618 54 033 1 00 23 86 N

ATOM 2266 CA GLY A 404 12 333 9 449 54 856 1 00 22 54 C

ATOM 2267 C GLY A 404 12 638 9 906 56 284 1 00 25 50 C

ATOM 2268 O GLY A 404 11 785 10 521 56 932 1 00 21 64 O

ATOM 2269 N GLU A 405 13 861 9 623 56 765 1 00 25 07 N ATOM 2270 CA GLU A 405 14..210 10..061 58..120 1..00 28..36 C

ATOM 2271 C GLU A 405 13. .483 9. .233 59. .177 1. .00 26. .54 C

ATOM 2272 O GLU A 405 12. .977 9. .824 60. .135 1. .00 26. .98 O

ATOM 2273 CB GLU A 405 15. .713 10. .088 58. .369 1. .00 33. .01 C

ATOM 2274 CG GLU A 405 16. .360 8. .763 58, .708 1. .00 41. .45 C

ATOM 2275 CD GLU A 405 16, .286 7. .712 57, .620 1. .00 47, .02 c

ATOM 2276 OEl GLU A 405 16. .184 8. .085 56. .414 1. .00 38. .83 0

ATOM 2277 OE2 GLU A 405 16. .341 6. .500 57. .974 1. .00 39. .08 0

ATOM 2278 N THR A 406 13. .349 7. .939 59. .008 1. .00 26. .63 N

ATOM 2279 CA THR A 406 12, .551 7. .095 59, .898 1. .00 26. .71 C

ATOM 2280 C THR A 406 11, .105 7. .572 59, .954 1. .00 30, .34 C

ATOM 2281 O THR A 406 10. .614 7. .825 61. .064 1. .00 28. .90 O

ATOM 2282 CB THR A 406 12. .674 5. .626 59, .494 1. .00 23. .19 C

ATOM 2283 OGl THR A 406 14, .093 5. .299 59, .501 1. .00 27. .16 O

ATOM 2284 CG2 THR A 406 11, .998 4. .693 60, .477 1. .00 23, .10 c

ATOM 2285 N LEU A 407 10. .444 7. .842 58, .829 1. .00 27. .83 N

ATOM 2286 CA LEU A 407 -9. .083 8. .373 58, .852 1. .00 26. .46 C

ATOM 2287 C LEU A 407 -9. .023 9. .743 59, .528 1. .00 25. .55 C

ATOM 2288 O LEU A 407 -8, .093 10. .068 60, .293 1. .00 22, .82 O

ATOM 2289 CB LEU A 407 -8, .537 8, .510 57, .414 1. .00 29, .25 C

ATOM 2290 CG LEU A 407 -7. .113 9, .062 57, .276 1. .00 28. .56 C

ATOM 2291 CDI LEU A 407 -6, .157 8, .227 58, .123 1. .00 25. .81 C

ATOM 2292 CD2 LEU A 407 -6, .651 9. .064 55, .813 1. .00 24. .77 c

ATOM 2293 N ARG A 408 -9, .970 10. .617 59, .171 1. .00 21, .21 N

ATOM 2294 CA ARG A 408 -9, .985 11, .971 59, .738 1. .00 24, .95 c

ATOM 2295 C ARG A 408 10, .123 11. .970 61, .250 1. .00 21. .92 C

ATOM 2296 O ARG A 408 -9, .453 12. .742 61, .925 1. .00 21. .76 O

ATOM 2297 CB ARG A 408 11, .078 12. .830 59, .106 1. .00 31, .34 C

ATOM 2298 CG ARG A 408 10. .971 14, .324 59, .407 1. .00 35, .97 C

ATOM 2299 CD ARG A 408 12. .341 14. .982 59, .126 1. .00 43. .58 C

ATOM 2300 NE ARG A 408 12, .918 14. .468 57, .924 1. .00 45. .06 N

ATOM 2301 CZ ARG A 408 14, .066 14. .012 57, .479 1. .00 42, .05 C

ATOM 2302 NHl ARG A 408 15, .153 13, .924 58, .227 1. .00 38, .56 N

ATOM 2303 NH2 ARG A 408 14, .102 13, .615 56, .205 1. .00 33, .43 N

ATOM 2304 N ILE A 409 11, .006 11. .163 61, .824 1. .00 23, .82 N

ATOM 2305 CA ILE A 409 11, .106 11. .007 63, .269 1. .00 23, .94 C

ATOM 2306 C ILE A 409 -9, .822 10. .426 63, .849 1. .00 24, .45 C

ATOM 2307 O ILE A 409 -9, .408 10, .845 64, .933 1. .00 21, .77 O

ATOM 2308 CB ILE A 409 12, .289 10, .082 63 .650 1. .00 23, .13 C

ATOM 2309 CGI ILE A 409 13, .590 10. .832 63, .284 1. .00 25, .90 C

ATOM 2310 CG2 ILE A 409 12, .250 9. .725 65, .133 1. .00 25, .28 C

ATOM 2311 CDI ILE A 409 14, .781 9. .904 63 .124 1. .00 29, .68 c

ATOM 2312 N TYR A 410 -9, .251 9, .400 63 .199 1. .00 23, .61 N

ATOM 2313 CA TYR A 410 -7 .960 8, .880 63 .663 1. .00 26, .25 C

ATOM 2314 C TYR A 410 -6, .906 9. .978 63, .727 1. .00 22. .85 c

ATOM 2315 O TYR A 410 -6, .154 10. .117 64, .710 1. .00 24, .05 0

ATOM 2316 CB TYR A 410 -7, .482 7, .734 62, .753 1. .00 27, .14 c

ATOM 2317 CG TYR A 410 -6 .104 7, .198 63 .098 1. .00 30, .94 c

ATOM 2318 CDI TYR A 410 -5, .954 6. .266 64, .115 1. .00 32. .39 c

ATOM 2319 CD2 TYR A 410 -4, .964 7. .613 62, .422 1. .00 33. .47 c

ATOM 2320 CEl TYR A 410 -4, .712 5, .755 64, .457 1. .00 34. .16 c

ATOM 2321 CE2 TYR A 410 -3, .711 7, .107 62, .758 1. .00 34. .35 c

ATOM 2322 CZ TYR A 410 -3 .591 6, .187 63, .769 1. .00 34. .64 c

ATOM 2323 OH TYR A 410 -2. .356 5. .684 64, .109 1. .00 35. .81 0

ATOM 2324 N LEU A 411 -6, .762 10. .775 62, .674 1. .00 22. .85 N

ATOM 2325 CA LEU A 411 -5, .750 11. .827 62, .636 1. .00 21. .92 c

ATOM 2326 C LEU A 411 -5, .968 12. .879 63, .712 1. .00 23. .21 c ATOM 2327 O LEU A 411 -5..067 13.,364 64.,402 1.,00 20..25 O

ATOM 2328 CB LEU A 411 -5. .703 12. .478 61. ,260 1. ,00 21. .98 C

ATOM 2329 CG LEU A 411 -5. .161 11. .593 60. .130 1. .00 23. .23 C

ATOM 2330 CDI LEU A 411 -5. .369 12. .363 58. .822 1. .00 20. .20 c

ATOM 2331 CD2 LEU A 411 -3. .695 11. .245 60. .388 1. .00 29. .31 c

ATOM 2332 N ARG A 412 -7. .232 13. .305 63. .867 1. ,00 21. .99 N

ATOM 2333 CA ARG A 412 -7. .539 14. .265 64. .924 1. .00 24. .04 C

ATOM 2334 C ARG A 412 -7. .131 13. .755 66. .316 1. .00 23. .68 C

ATOM 2335 O ARG A 412 -6. .651 14. .548 67. .154 1. .00 22. .11 O

ATOM 2336 CB ARG A 412 -9. .050 14. .529 64, .878 1. .00 26. .18 C

ATOM 2337 CG ARG A 412 -9. .480 15. .775 65. .627 1. .00 35. .60 c

ATOM 2338 CD ARG A 412 11, .012 15. .855 65, .664 1. .00 39. .17 c

ATOM 2339 NE ARG A 412 11, .543 14. .798 66, .531 1. .00 41. .95 N

ATOM 2340 CZ ARG A 412 12. .711 14. .190 66, .412 1. .00 47. .68 c

ATOM 2341 NHl ARG A 412 13. .598 14. .459 65. .457 1. .00 44. .94 N

ATOM 2342 NH2 ARG A 412 13, .026 13. .248 67. .297 1. .00 49. .92 N

ATOM 2343 N GLN A 413 -7, .458 12. .507 66. .625 1. .00 21. .69 N

ATOM 2344 CA GLN A 413 -7. .133 11. .884 67. .913 1. .00 25. .99 C

ATOM 2345 C GLN A 413 -5. .620 11. .764 68. .146 1. .00 25. .89 C

ATOM 2346 O GLN A 413 -5, .094 12. .012 69. .233 1. .00 26. .59 O

ATOM 2347 CB GLN A 413 -7, .652 10. .448 68. .007 1. .00 23. .39 C

ATOM 2348 CG GLN A 413 -9, .154 10. .283 68. .106 1. .00 32. .04 C

ATOM 2349 CD GLN A 413 -9, .554 8, .841 68. .345 1. .00 42, .58 C

ATOM 2350 OEl GLN A 413 10. .462 8. .587 69. .138 1. .00 42. .99 O

ATOM 2351 NE2 GLN A 413 -8. .926 7. .854 67. .702 1. .00 40. .56 N

ATOM 2352 N GLU A 414 -4, .904 11. .378 67. .093 1. .00 25. . 66 N

ATOM 2353 CA GLU A 414 -3, .440 11. .407 67. .136 1. .00 25. .54 C

ATOM 2354 C GLU A 414 -2, .956 12, .828 67. .404 1. .00 26, .57 C

ATOM 2355 O GLU A 414 -2, .079 12, .974 68, .266 1. .00 26, .59 O

ATOM 2356 CB GLU A 414 -2, .868 10. .836 65. .840 1. .00 31. .97 C

ATOM 2357 CG GLU A 414 -1, .366 10. .666 65. .850 1. .00 48. .15 C

ATOM 2358 CD GLU A 414 -0, .847 9, .512 66 . .687 1. .00 54. .89 c

ATOM 2359 OEl GLU A 414 -1, .653 8, .703 67, .196 1. .00 49. .10 0

ATOM 2360 OE2 GLU A 414 0 .401 9, .430 66, .816 1, .00 60, .82 0

ATOM 2361 N LEU A 415 -3 .519 13, .870 66, .778 1, .00 23, .08 N

ATOM 2362 CA LEU A 415 -3, .070 15, .239 67. .032 1. .00 25. .26 C

ATOM 2363 C LEU A 415 -3, .304 15, .597 68, .498 1, .00 28. .74 C

ATOM 2364 O LEU A 415 -2, .487 16, .176 69, .226 1, .00 24, .90 0

ATOM 2365 CB LEU A 415 -3 .789 16, .195 66, .089 1, .00 25, .58 c

ATOM 2366 CG LEU A 415 -3 .641 17, .696 66, .273 1, .00 29, .18 c

ATOM 2367 CDI LEU A 415 -2 .191 18, .139 66 .083 1, .00 27, .63 c

ATOM 2368 CD2 LEU A 415 -4, .571 18, .429 65, .312 1. .00 29. .28 c

ATOM 2369 N GLY A 416 -4, .521 15, .291 68, .963 1, .00 30, .39 N

ATOM 2370 CA GLY A 416 -4 .954 15, .502 70, .327 1, .00 33, .09 C

ATOM 2371 C GLY A 416 -3 .991 14, .856 71, .321 1, .00 37, .33 C

ATOM 2372 O GLY A 416 -3 .533 15 .477 72 .286 1, .00 37, .61 O

ATOM 2373 N ASN A 417 -3 .544 13 .628 71 .055 1, .00 38 .52 N

ATOM 2374 CA ASN A 417 -2 .503 12, .956 71, .811 1, .00 41, .29 C

ATOM 2375 C ASN A 417 -1 .175 13, .712 71, .869 1, .00 42, .63 C

ATOM 2376 O ASN A 417 -0 .477 13, .637 72, .882 1, .00 41, .23 0

ATOM 2377 CB ASN A 417 -2 .137 11 .574 71 .229 1, .00 36, .50 c

ATOM 2378 CG ASN A 417 -3 .278 10 .590 71 .313 1, .00 43, .40 c

ATOM 2379 ODl ASN A 417 -3 .309 9 .462 70 .829 1, .00 43, .08 0

ATOM 2380 ND2 ASN A 417 -4, .315 11, .058 71, .965 1. .00 41, .92 N

ATOM 2381 N LYS A 418 -0 .758 14, .322 70, .772 1, .00 44, . 99 N

ATOM 2382 CA LYS A 418 0 .504 15, .046 70, .717 1, .00 47, .11 C

ATOM 2383 C LYS A 418 0 .414 16, .420 71, .345 1, .00 49, .16 C ATOM 2384 O LYS A 418 1.,364 16.,887 71..978 1.,00 48..95 0

ATOM 2385 CB LYS A 418 0. .946 15. .099 69 . .245 1. ,00 47. .12 C

ATOM 2386 CG LYS A 418 1. .228 13. .691 68. .736 1. .00 45. .31 c

ATOM 2387 CD LYS A 418 1. .580 13. ,667 67. .258 1. ,00 46. .48 c

ATOM 2388 CE LYS A 418 1. .492 12. .239 66. .741 1. ,00 44. .18 c

ATOM 2389 NZ LYS A 418 2. .379 11. .307 67. .482 1. .00 46. .13 N

ATOM 2390 N LEU A 419 -0. .739 17. .070 71. .235 1. .00 50. .21 N

ATOM 2391 CA LEU A 419 -0. .966 18. .408 71. .761 1. .00 52. .95 c

ATOM 2392 C LEU A 419 -1. .288 18. .384 73. .252 1. .00 54. .01 C

ATOM 2393 O LEU A 419 -1. .362 19. .412 73. .931 1. .00 54. .79 0

ATOM 2394 CB LEU A 419 -2. .111 19. .134 71. .049 1. .00 53. .20 c

ATOM 2395 CG LEU A 419 -1. .941 19. .544 69. .574 1. .00 51. .19 c

ATOM 2396 CDI LEU A 419 -3. .202 20. .301 69. .111 1. .00 54. .12 c

ATOM 2397 CD2 LEU A 419 -0. .743 20. .492 69. .453 1. ,00 54. .86 c

ATOM 2398 N GLY A 420 -1. .590 17. .197 73. .772 1. .00 52. .54 N

ATOM 2399 CA GLY A 420 -2. .012 17. .012 75. .149 1. .00 55. .15 c

ATOM 2400 C GLY A 420 -3. .488 17. .343 75. .366 1. .00 54. .86 C

ATOM 2401 O GLY A 420 -3. .925 17, .562 76. .495 1. .00 55. .95 o

ATOM 2402 N ILE A 421 -4. .267 17, .392 74. .293 1. .00 52. .89 N

ATOM 2403 CA ILE A 421 -5. .688 17. .722 74. .345 1. .00 49. .90 C

ATOM 2404 C ILE A 421 -6. .464 16. .427 74. .550 1. .00 47. .18 C

ATOM 2405 O ILE A 421 -6, .495 15, .515 73. .720 1. .00 45. .83 0

ATOM 2406 CB ILE A 421 -6, .132 18, .518 73. .105 1. .00 52. .12 C

ATOM 2407 CGI ILE A 421 -5, .640 19, .973 73, .181 1. .00 48, .30 C

ATOM 2408 CG2 ILE A 421 -7. .647 18, .489 72. .939 1. .00 50. .13 C

ATOM 2409 CDI ILE A 421 -6, .075 20, .855 72. .024 1. .00 50. .28 C

ATOM 2410 N LEU A 422 -7, .106 16, .292 75. .715 1. .00 44. .36 N

ATOM 2411 CA LEU A 422 -7, .824 15, .072 76, .078 1. .00 41, .69 C

ATOM 2412 C LEU A 422 -9, .109 14, .839 75, .288 1. .00 40, .82 C

ATOM 2413 O LEU A 422 -9, .488 13, .693 75. .010 1. .00 39. .36 0

ATOM 2414 CB LEU A 422 -8, .128 15, .034 77. .571 1. .00 38. .48 C

ATOM 2415 CG LEU A 422 - 6 . .911 15, .109 78, .512 1. .00 37, .50 C

ATOM 2416 CDI LEU A 422 -7, .357 15, .218 79, .963 1. .00 41, .34 C

ATOM 2417 CD2 LEU A 422 -6 .025 13 .894 78, .332 1. .00 35, .79 C

ATOM 2418 N ASP A 423 -9, .821 15, .899 74. .945 1. .00 39, .65 N

ATOM 2419 CA ASP A 423 11, .019 15, .768 74. .116 1. .00 41, .87 C

ATOM 2420 C ASP A 423 10 .690 16, .296 72, .728 1. .00 40, .71 C

ATOM 2421 O ASP A 423 11 .084 17 .434 72, .475 1, .00 40, .81 0

ATOM 2422 CB ASP A 423 12 .183 16 .561 74, .713 1, .00 45, .40 C

ATOM 2423 CG ASP A 423 13 .455 16 .478 73, .882 1, .00 48 .51 C

ATOM 2424 ODl ASP A 423 13 .410 15, .905 72, .766 1. .00 42, .59 0

ATOM 2425 OD2 ASP A 423 14 .511 16 .975 74, .341 1. .00 40, .74 0

ATOM 2426 N ASP A 424 10 .126 15 .497 71, .825 1, .00 43 .44 N

ATOM 2427 CA ASP A 424 -9 .745 15 .973 70, .495 1, .00 41 .69 C

ATOM 2428 C ASP A 424 10 .885 16 .479 69 .641 1. .00 43 .55 C

ATOM 2429 O ASP A 424 10 .690 17 .259 68, .698 1. .00 42, .16 0

ATOM 2430 CB ASP A 424 -8 .976 14 .870 69, .750 1, .00 42, .48 c

ATOM 2431 CG ASP A 424 -9 .823 13 .616 69, .643 1, .00 43 .69 c

ATOM 2432 ODl ASP A 424 -9 .682 12 .760 70 .543 1, .00 49 .20 0

ATOM 2433 OD2 ASP A 424 10 .621 13 .502 68 .702 1, .00 38 .18 0

ATOM 2434 N SER A 425 12 .145 16 .214 69, .996 1, .00 45, .39 N

ATOM 2435 CA SER A 425 13 .309 16 .743 69, .311 1, .00 47, .78 C

ATOM 2436 C SER A 425 13 .434 18 .259 69, .420 1, .00 51, .28 C

ATOM 2437 O SER A 425 14 .245 18 .877 68 .717 1, .00 50, .58 0

ATOM 2438 CB SER A 425 14 .588 16 .057 69 .792 1, .00 50 .38 C

ATOM 2439 OG SER A 425 15 .039 16 .550 71 .043 1, .00 45 .69 0

ATOM 2440 N GLN A 426 12 .651 18 .927 70, .258 1. .00 53. .10 N ATOM 2441 CA GLN A 426 12..570 20.,368 70.,318 1.00 58.,00 C

ATOM 2442 C GLN A 426 11. .766 20. 950 69. ,153 1. .00 60. .36 C

ATOM 2443 O GLN A 426 12. .002 22. ,101 68. .769 1. .00 59. .57 O

ATOM 2444 CB GLN A 426 11. .925 20. ,848 71. .624 1. .00 62. .03 C

ATOM 2445 CG GLN A 426 12. .840 20. .710 72. .829 1. .00 69. .57 C

ATOM 2446 CD GLN A 426 14. .178 21. .395 72. ,631 1. .00 72. .93 C

ATOM 2447 OEl GLN A 426 14. .279 22. 616 72. .530 1. .00 75. .08 O

ATOM 2448 NE2 GLN A 426 15. .244 20. ,601 72. .563 1. .00 73. .88 N

ATOM 2449 N LEU A 427 10. .835 20. ,166 68. .625 1. .00 60. .47 N

ATOM 2450 CA LEU A 427 10. .012 20. ,631 67. .511 1. .00 60. .70 C

ATOM 2451 C LEU A 427 10. .863 20. .862 66. .273 1. .00 61. .35 C

ATOM 2452 O LEU A 427 11. .761 21. .701 66. .311 1. .00 61. .21 0

ATOM 2453 CB LEU A 427 -8. .883 19. .633 67. .232 1. .00 59. .41 c

ATOM 2454 CG LEU A 427 -7. .918 19. .462 68. .442 1. .00 57. .81 c

ATOM 2455 CDI LEU A 427 -7. .166 18. .126 68. .258 1. .00 56. .03 c

ATOM 2456 CD2 LEU A 427 -6. .880 20. .599 68. .397 1. .00 59. .87 c

ATOM 2457 MN+2 IUM I 500 22. .545 6. ,162 55. ,670 1. .00 29. .55 MN+2

ATOM 2458 MN+2 IUM I 501 17. .935 6. .384 39. .727 1. .00 50. .15 MN+2

ATOM 2459 MN+2 IUM I 502 15. .841 4. .302 55. .458 1. .00 69. .28 MN+2

ATOM 2460 MN+2 IUM I 503 15. .189 12. .304 43. .239 1. .00 52. .41 MN+2

ATOM 2461 OWO WAT w 1 -6, .205 11. .003 73. .138 1. .00 21. .76 O

ATOM 2462 OWO WAT w 2 9, .254 1. .024 27. .718 1. .00 20. .72 0

ATOM 2463 OWO WAT w 3 8, .234 -3. .195 37. .728 1. .00 21. .06 0

ATOM 2464 OWO WAT w 4 1, .443 3. .111 31. .359 1. .00 28. .86 0

ATOM 2465 OWO WAT w 5 15, .375 8. .923 16. .461 1. .00 24. .90 0

ATOM 2466 OWO WAT w 6 5, .200 1. .541 27. .944 1. .00 21. .84 0

ATOM 2467 OWO WAT w 7 4, .0^'99 2. .643 30. .405 1. .00 30, .03 0

ATOM 2468 OWO WAT w 8 14, .232 11. .334 17. .557 1. .00 23. .94 o

ATOM 2469 OWO WAT w 9 15, .907 6. .576 40. .834 1. .00 24. .15 0

ATOM 2470 OWO WAT w 10 3, .416 -11. .295 32. .031 1. .00 29. .05 0

ATOM 2471 OWO WAT w 11 5, .108 -5. .376 25. .178 1. .00 23. .60 0

ATOM 2472 OWO WAT w 12 21, .112 -7. .828 25. .065 1, .00 30. .35 0

ATOM 2473 OWO WAT w 13 0 .494 4. .832 19. .057 1, .00 26. .50 0

ATOM 2474 OWO WAT w 14 6 .536 13. .561 22. .783 1. .00 24, .81 0

ATOM 2475 OWO WAT w 15 3 .856 12, .660 21, .988 1, .00 26, .34 0

ATOM 2476 OWO WAT w 16 3 .109 -6, .541 30. .947 1, .00 31, .56 0

ATOM 2477 OWO WAT w 17 20 .144 12, .001 21. .569 1, .00 28, .26 0

ATOM 2478 OWO WAT w 18 5, .075 -1. .834 35. .823 1. .00 25. .61 0

ATOM 2479 OWO WAT w 19 20 .129 -9. .245 27. .302 1, .00 43. .63 0

ATOM 2480 OWO WAT w 20 12 .115 -5, .048 21. .654 1, .00 23. .94 o

ATOM 2481 OWO WAT w 21 3 .939 -5. .709 28. .438 1, .00 26. .63 o

ATOM 2482 OWO WAT w 22 17 .145 4. .703 38. .684 1. .00 33, .85 0

ATOM 2483^' OWO WAT w 23 -2 .087 6, .512 58, .823 1, .00 35, .90 0

ATOM 2484 OWO WAT w 24 15 .911 -11, .093 49, .056 1, .00 25, .77 0

ATOM 2485 OWO WAT w 25 12 .120 17, .346 45, .733 1, .00 34, .94 0

ATOM 2486 OWO WAT w 26 1 .229 1, .567 19, .685 1, .00 32, .31 0

ATOM 2487 OWO WAT w 27 3 .223 16, .075 44, .568 1, .00 30, .31 0

ATOM 2488 OWO WAT w 28 6 .533 -4 .006 35, .624 1, .00 21, .31 0

ATOM 2489 OWO WAT w 29 -7 .823 1, .005 36, .553 1. .00 43. .72 0

ATOM 2490 OWO WAT w 30 12 .757 16, .806 21, .944 1. .00 32. .30 0

ATOM 2491 OWO WAT w 31 11 .243 0, .838 21. .181 1. .00 21, .15 0

ATOM 2492 OWO WAT w 32 7 .557 9, .053 40, .169 1, .00 28, .69 0

ATOM 2493 OWO WAT w 33 9 .391 20, .677 47, .487 1. .00 36, .00 0

ATOM 2494 OWO WAT w 34 0 .176 1, .332 51, .270 1. .00 27, .57 o

ATOM 2495 OWO WAT w 35 13 .662 -5, .691 19, .513 1, .00 23. .78 0

ATOM 2496 OWO WAT w 36 12 .500 5, .714 43, .758 1, .00 26, .10 0

ATOM 2497 OWO WAT w 37 20 .335 6, .045 55, .210 1, .00 29, .11 0 ATOM 2498 OWO WAT W 38 5..125 -0..343 17..909 1..00 32..81 O

ATOM 2499 OWO WAT W 39 -4. .184 19. .212 49. .080 1. .00 46. .30 O

ATOM 2500 OWO WAT W 40 18. .619 8. .116 41. .004 1. ,00 33. .49 O

ATOM 2501 OWO WAT W 41 11. .495 0. .920 54. .502 1. .00 32. .27 O

ATOM 2502 OWO WAT W 42 -1. .833 18. .045 41. .521 1. .00 27. .23 O

ATOM 2503 OWO WAT W 43 19. .475 27. .160 10. .376 1. .00 47, .36 O

ATOM 2504 OWO WAT W 44 -6. .117 18. .664 43. .833 1. ,00 24, .64 0

ATOM 2505 OWO WAT W 45 19. .069 9. .421 13. .824 1. .00 34, .90 0

ATOM 2506 OWO WAT W 46 18. .717 -10. .656 50. .916 1. .00 29, .33 0

ATOM 2507 OWO WAT W 47 4. .515 10. .997 33. .786 1. .00 32, .54 0

ATOM 2508 OWO WAT W 48 -6, .038 7. .293 67. .486 1. .00 31, .62 0

ATOM 2509 OWO WAT W 49 11. .651 25. .190 76. .060 1. .00 49, .40 o

ATOM 2510 OWO WAT W 50 -5. .623 13. .118 74. .262 1. .00 49, .07 o

ATOM 2511 OWO WAT W 51 -7. .404 6. .186 54. .088 1. .00 34, .60 0

ATOM 2512 OWO WAT w 52 -4, .340 19, .427 41. .924 1. .00 29, .72 0

ATOM 2513 OWO WAT w 53 5. .915 15. .072 44. .802 1. .00 34. .87 o

ATOM 2514 OWO WAT w 54 -5. .130 26. .388 60. .898 1. .00 42, .33 o

ATOM 2515 OWO WAT w 55 10. .944 19. .617 18. .297 1. .00 32, .68 0

ATOM 2516 OWO WAT w 56 13, .862 19. .363 46. .535 1. .00 40, .86 0

ATOM 2517 OWO WAT w 57 11, .244 17, .251 50. .621 1. .00 45, .63 o

ATOM 2518 OWO WAT w 58 2. .520 -6. .096 26. .272 1. .00 45, .21 o

ATOM 2519 OWO WAT w 59 10. .824 17. .095 66. .617 1. .oo 30, .33 0

ATOM 2520 OWO WAT w 60 11. .083 3. .789 54. .922 1. .00 29, .27 0

ATOM 2521 OWO WAT w 61 5, .304 -9, .562 30. .795 1. .00 30, .14 0

ATOM 2522 OWO WAT w 62 -0, .429 5, .833 32, .574 1. .00 27 .04 0

ATOM 2523 OWO WAT w 63 4, .030 -0. .688 13. .695 1. .00 30, .23 0

ATOM 2524 OWO WAT w 64 4, .636 -9. .553 45. .319 1. .00 37, .58 0

ATOM 2525 OWO WAT w 65 5, .771 11, .945 44, .569 1. .00 39, .92 0

ATOM 2526 OWO WAT w 66 22, .769 ^,13, .908 32, .183 1. .00 30, .01 o

ATOM 2527 OWO WAT w 67 8. .012 1. .377 11. .360 1. .00 29, .93 0

ATOM 2528 OWO WAT w 68 -4, .517 18. .145 45. .973 1. .00 33, .80 0

ATOM 2529 OWO WAT w 69 9, .333 10, .580 38, .641 1. .00 34, .25 o

ATOM 2530 OWO WAT w 70 2, .365 -7, .752 45, .029 1. .00 39, .79 0

ATOM 2531 OWO WAT w 71 16, .918 26, .471 9, .880 1, .00 53 .92 0

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ATOM 2534 OWO WAT w 74 11, .645 -7, .338 18, .416 1. .00 37, .89 o

ATOM 2535 OWO WAT w 75 9 .613 10, .837 58, .404 1, .00 35, .02 0

ATOM 2536 OWO WAT w 76 14 .726 3 .968 52, .078 1, .00 36 .80 0

ATOM 2537 OWO WAT w 77 17, .981 0, .651 12, .032 1. .00 39, .90 o

ATOM 2538 OWO WAT w 78 16, .944 18, .150 25, .154 1. .00 38, .82 0

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ATOM 2540 OWO WAT w 80 19 .507 12, .692 32, .914 1, .00 34 .26 0

ATOM 2541 OWO WAT w 81 7, .579 -6, .375 22, .607 1, .00 37, .46 0

ATOM 2542 OWO WAT w 82 19, .912 17, .089 57, .084 1, .00 75, .45 o

ATOM 2543 OWO WAT w 83 9, .248 -10. .460 51, .856 1, .00 36, .53 0

ATOM 2544 OWO WAT w 84 25 .132 -6. .878 48, .134 1, .00 45 .14 0

ATOM 2545 OWO WAT w 85 16 .102 -11 .578 38 .563 1, .00 37 .54 0

ATOM 2-546 OWO WAT w 86 3, .432 15, .499 73, .311 1, .00 52, .07 o

ATOM 2547 OWO WAT w 87 -7, .275 12, .118 71, .076 1, .00 52, .31 o

ATOM 2548 OWO WAT w 88 -7, .049 -8, .497 34, .660 1, .00 43, .47 0

ATOM 2549 OWO WAT w 89 7 .776 18 .073 29, .347 1, .00 35 .55 0

ATOM 2550 OWO WAT w 90 13 .779 1 .614 53, .051 1, .00 33 .50 0

ATOM 2551 OWO WAT w 91 -0, .561 2, .160 56, .628 1. .00 35, .52 0

ATOM 2552 OWO WAT w 92 -3, .143 5, .680 54, .201 1, .00 41, .93 0

ATOM 2553 OWO WAT w 93 16, .835 -8, .577 22, .667 1. .00 43, .36 o

ATOM 2554 OWO WAT w 94 12, .855 17, .647 53, .826 1, .00 38, .17 0 ATOM 2555 OWO WAT W 95 -6..904 -8..279 42..990 1..00 38..90 O

ATOM 2556 OWO WAT W 96 -5. .119 -1. .377 52. .042 1. .00 54. .84 O

ATOM 2557 OWO WAT W 97 5. .505 -3. .622 20. .636 1. .00 43, .04 O

ATOM 2558 OWO WAT W 98 0. .877 -5. .922 43. .138 1. .00 32, .30 O

ATOM 2559 OWO WAT W 99 10. .025 -0. .210 43. .618 1. .00 64, .09 O

ATOM 2560 OWO WAT W 100 13. .961 -1. .324 10. .384 1. .00 49, .04 O

ATOM 2561 OWO WAT W 101 18. .516 0. .560 55. .725 1. .00 44 , .78 O

ATOM 2562 OWO WAT W 102 21. .379 14. .040 23. .003 1. .00 35, .69 O

ATOM 2563 OWO WAT W 103 7. .645 26. .477 68. .324 1. .00 42, .60 O

ATOM 2564 OWO WAT W 104 7. .102 24. .095 15. .030 1. .00 50, .97 O

ATOM 2565 OWO WAT W 105 13. .855 15. .050 29. .533 1. .00 36, .15 O

ATOM 2566 OWO WAT W 106 11. .552 19, .535 21, .209 1. .00 40, .48 O

ATOM 2567 OWO WAT W 107 10. .303 9, .653 71, .661 1. .00 45 .16 O

ATOM 2568 OWO WAT W 108 -4, .347 -0, .877 30, .503 1. .00 42, .62 O

ATOM 2569 OWO WAT W 109 20, .667 14, .036 44, .971 1. .00 46, .87 O

ATOM 2570 OWO WAT W 110 10. .575 0 .589 10. .761 1. .00 56, .39 O

ATOM 2571 OWO WAT W 111 -5. .413 -7, .529 32, .623 1. .00 51 .41 O

ATOM 2572 OWO WAT w 112 5. .384 21, .458 56. .537 1. .00 53, .73 O

ATOM 2573 OWO WAT w 113 8. .226 8, .012 44, .145 1. .00 41, .20 O

ATOM 2574 OWO WAT w 114 18. .413 -11, .317 37, .277 1. .00 48, .63 O

ATOM 2575 OWO WAT w 115 11, .680 -7, .544 22, .504 1. .00 31, .18 O

ATOM 2576 OWO WAT w 116 18, .880 16, .202 47. .476 1. .00 41, .72 O

ATOM 2577 OWO WAT w 117 23. .139 9, .372 22, .760 1. .00 38, .88 O

ATOM 2578 OWO WAT w 118 -5, .893 5, .752 26. .172 1. .00 62, .16 O

ATOM 2579 OWO WAT w 119 -7, .199 17, .940 81. .088 1. .00 50, .49 O

ATOM 2580 OWO WAT w 120 -5. .607 23, .381 69. .687 1. .00 64, .12 0

ATOM 2581 OWO WAT w 121 -4, .606 6, .744 28. .719 1. .00 60, .01 0

ATOM 2582 OWO WAT w 122 14, .233 10, .689 40. .234 1. .00 63, .44 0

ATOM 2583 OWO WAT w 123 -1, .035 4 .872 55. .737 1. .00 33, .16 0

ATOM 2584 OWO WAT w 124 24, .910 -0, .147 19. .649 1. .00 40, .88 0

ATOM 2585 OWO WAT w 125 9. .272 9, .674 64. .410 1. .00 46, .90 0

ATOM 2586 OWO WAT w 126 14, .333 18, .165 76. .607 1. .00 29, .11 0

ATOM 2587 OWO WAT w 127 -1, .151 0, .561 19. .291 1. .00 42, .14 0

ATOM 2588 OWO WAT w 128 7, .487 10, .100 42. .659 1. .00 50, .71 0

ATOM 2589 OWO WAT w 129 10, .656 8, .687 35. .091 1. .00 39, .62 0

ATOM 2590 OWO WAT w 130 9, .034 16, .738 55. .258 1. .00 65, .13 0

ATOM 2591 OWO WAT w 131 5, .688 -9, .027 41. .266 1. .00 45, .17 0

ATOM 2592 OWO WAT w 132 0, .339 15, .662 14. .528 1. .00 53, .09 0

ATOM 2593 OWO WAT w 133 0, .204 8, .724 9. .212 1. .00 50, .12 0

ATOM 2594 OWO WAT w 134 1, .539 29, .705 68. .220 1. .00 52, .09 0

ATOM 2595 OWO WAT w 135 -0, .784 23, .450 57. .019 1. .00 32, .60 0

ATOM 2596 OWO WAT w 136 10, .280 19, .727 49. .695 1. .00 54, .30 0

ATOM 2597 OWO WAT w 137 28, .705 -7, .308 33. .530 1. .00 50, .49 0

ATOM 2598 OWO WAT w 138 9, .725 24, .654 77. .973 1. .00 56, .63 0

ATOM 2599 OWO WAT w 139 0, .356 10, .407 5. .678 1. .00 60, .47 0

ATOM 2600 OWO WAT w 140 15, .491 -5, .546 53. .929 1. .00 43, .40 0

ATOM 2601 OWO WAT w 141 -4. .854 28, .220 58. .865 1. .00 47, .54 0

ATOM 2602 OWO WAT w 142 -6, .346 -3, .952 44. .635 1. .00 58, .40 o

ATOM 2-603 OWO WAT w 143 8, .111 20, .342 21. .369 1. .00 52. .59 0

ATOM 2604 OWO WAT w 144 23. .020 2, .732 34. .296 1. .00 64. .72 0

ATOM 2605 OWO WAT w 145 18. .731 8. .543 55. .795 1. .00 63. .98 0

ATOM 2606 OWO WAT w 146 -4. .257 -12, .166 34. .532 1. .00 50. .92 o

ATOM 2607 OWO WAT w 147 -1. .816 12, .124 28. .205 1. .00 59. .66 0

ATOM 2608 OWO WAT w 148 -0, .687 13, .812 12. .567 1. .00 80, .01 0

ATOM 2609 OWO WAT w 149 9, .516 5, .530 4. .717 1. .00 57, .72 0

ATOM 2610 OWO WAT w 150 18, .652 26, .079 7. .831 1. .00 68, .68 o

ATOM 2611 OWO WAT w 151 0, .084 -0, .998 50. .281 1. .00 40, .08 o ATOM 2612 OWO WAT W 152 -1..574 2..775 17,.876 1..00 50..55 O

ATOM 2613 OWO WAT W 153 19, .450 -8. .842 23, .031 1. .00 42, .91 O

ATOM 2614 OWO WAT W 154 25, .948 -1. .746 34, .161 1. .00 60, .15 O

ATOM 2615 OWO WAT W 155 11, .791 4. .341 49, .429 1. .00 56, .10 O

ATOM 2616 OWO WAT W 156 29, .569 -7. .643 27, .815 1. .00 67, .68 O

ATOM 2617 OWO WAT W 157 15, .577 26. .165 12, .996 1. .00 50, .34 O

ATOM 2618 OWO WAT W 158 1, .357 10, .250 69, .788 1. .00 50, .12 O

ATOM 2619 OWO WAT W 159 12, .810 0. .896 54, .512 1. .00 48. .13 O

ATOM 2620 OWO WAT W 160 13, .871 23. .454 68, .080 1. .00 65, .95 O

ATOM 2621 OWO WAT W 161 1 .754 9. .825 3, .376 1. .00 68, .76 O

ATOM 2622 OWO WAT W 162 -0, .353 29. .175 65, .532 1. .00 45, .89 O

ATOM 2623 OWO WAT W 163 12, .351 16. .237 24, .904 1. .00 48, .05 O

ATOM 2624 OWO WAT W 164 14, .529 13. .200 73, .708 1. .00 64, .67 O

ATOM 2625 OWO WAT W 165 -3 .015 11. .307 17, .204 1. .00 59, .79 O

ATOM 2626 OWO WAT W 166 15, .690 24. .333 71. .266 1. .00 58. .62 O

ATOM 2627 OWO WAT W 167 7, .452 19. .877 55, .520 1. .00 57. .11 O

ATOM 2628 OWO WAT w 168 12, .931 0. .048 56, .682 1. .00 46, .28 O

ATOM 2629 OWO WAT w 169 1, .167 0, .152 57, .493 1. .00 59, .27 O

ATOM 2630 OWO WAT w 170 -2, .795 -2. .912 30. .769 1. .00 52. .65 0

ATOM 2631 OWO WAT w 171 15, .171 3. .881 57, .752 1. .00 60. .22 0

ATOM 2632 OWO WAT w 172 19, .442 -1. .331 35, .030 1. .00 45, .03 0

ATOM 2633 OWO WAT w 173 1, .912 12, .036 73, .193 1. .00 53, .89 0

ATOM 2634 OWO WAT w 174 3, .529 -7. .980 39. .720 1. .00 61. .10 0

ATOM 2635 OWO WAT w 175 -0, .946 -7. .466 38, .643 1. .00 61. .41 0

ATOM 2636 OWO WAT w 176 1, .704 -2, .365 22, .843 1. .00 51. .71 0

ATOM 2637 OWO WAT w 177 9, .163 -14, .269 52, .379 1. .00 55, .96 0

ATOM 2638 OWO WAT w 178 26, .258 -7. .207 22. .926 1. .00 54. .81 0

ATOM 2639 OWO WAT w 179 12, .083 10. .936 33, .634 1. .00 52. .59 0

ATOM 2640 OWO WAT w 180 -5, .872 7, .634 70, .182 1. .00 52. .47 0

ATOM 2641 OWO WAT w 181 -1, .086 -3, .612 22, .289 1. .00 48, .80 0

ATOM 2642 OWO WAT w 182 2, .195 -0. .343 21. .117 1. ,00 59. .15 0

ATOM 2643 OWO WAT w 183 0, .002 11. .859 10, .688 1. .00 74. .52 0

ATOM 2644 OWO WAT w 184 26, .165 4. .521 31, .125 1. .00 65. .16 o

ATOM 2645 OWO WAT w 185 -2, .874 29. .557 66. .870 1. .00 59. .86 0

ATOM 2646 OWO WAT w 186 -4, .524 5. .171 56. .433 1. ,00 59. .50 0

ATOM 2647 OWO WAT w 187 10, .656 -4. .507 35. .073 1. .00 58. .65 0

ATOM 2648 OWO WAT w 188 23, .110 1, .425 51, .003 1. .00 46. .86 0

ATOM 2649 OWO WAT w 189 7, .347 -3. .873 16. .501 1. ,00 48. .31 0

ATOM 2650 OWO WAT w 190 13, .377 -9. .293 23, .979 1. .00 42. .76 0

ATOM 2651 OWO WAT w 191 19, .230 -11. .573 26, .588 1. .00 60. .04 0

ATOM 2652 OWO WAT w 192 11, .668 21. .793 68, .690 1. .00 56. .03 0

ATOM 2653 OWO WAT w 193 17. .461 11. .941 53. .271 1. .00 66. .36 o

ATOM 2654 OWO WAT w 194 28, .511 -2. .209 14, .941 1. ,00 65. .42 0

ATOM 2655 OWO WAT w 195 19, .192 20. .745 8, .347 1. .00 64. .67 0

ATOM 2656 OWO WAT w 196 8, .173 11. .780 40, .703 1. .00 62. .05 0

ATOM 2657 OWO WAT w 197 -3. .276 24. .755 70. .555 1. ,00 66. .21 0

ATOM 2658 OWO WAT w 198 28, .717 15. .978 16. .365 1. .00 63. .69 0

ATOM 2659 OWO WAT w 199 8, .448 -11. .128 49. .234 1. .00 61. .16 0

ATOM 2660 OWO WAT w 200 16, .875 -12. .843 22. .787 1. .00 62. .99 0

ATOM 2661 OWO WAT w 201 16. .326 10. .533 42. .391 1. .00 51. .72 0

Claims

What is claimed is:

1. A crystal of a protein-ligand complex comprising a protein-ligand complex of a core Staphylococcus aureus DnaG primase and a ligand, wherein the crystal effectively diffracts X-rays to a resolution of greater than 5 Angstroms.

2. The crystal of claim 1, wherein the ligand comprises a metal bound at the active site.

3. The crystal of claim 1, wherein the ligand comprises a sulfate.

4. The crystal of claim 1, wherein the core Staphylococcus aureus DnaG primase has an amino acid sequence of SEQ ID NO:2 or an amino acid sequence that differs from SEQ ID NO:2 by having conservative substitutions.

5. The crystal of claim 1 having space group of P6ι and a unit cell of dimensions of a=152 Angstroms and c=37 Angstroms.

6. The crystal of claim 1, wherein the crystal effectively diffracts X-rays to a resolution of greater than 2 Angstroms.

7. A crystal of a protein-ligand complex comprising a protein-ligand complex of a core Escherichia coil DnaG primase and a manganese ion, wherein the crystal effectively diffracts X-rays to a resolution of greater than 5 Angstroms.

8. The crystal of claim 7, wherein the core Escherichia coli DnaG primase has an amino acid sequence represented in Table 3 or an amino acid sequence that differs from the amino acid sequence represented in Table 3 by having conservative substitutions.

9. The crystal of claim 8 having space group of P2 λ λ\ and a unit cell of dimensions of a=38 Angstroms, b=56 Angstroms, and c=140 Angstroms.

10. The crystal of claim 8, wherein the crystal effectively diffracts X-rays to a resolution of greater than 2 Angstroms.

11. A method of identifying an agent for use as an inhibitor of Staphylococcus aureus DnaG primase comprising:

(a) obtaining a set of atomic coordinates defining the three-dimensional structure of a core Staphylococcus aureus DnaG primase;

(b) selecting a potential agent by performing rational drug design with the atomic coordinates obtained in step (a), wherein said selecting is performed in conjunction with computer modeling;

(c) contacting the potential agent with a Staphylococcus aureus DnaG primase; and

(d) measuring the activity of the Staphylococcus aureus DnaG primase; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus DnaG primase when there is a decrease in the activity of the Staphylococcus aureus DnaG primase in the presence of the agent relative to in its absence.

12. A method of identifying an agent that inhibits Staphylococcus aureus growth comprising:

(a) obtaining a set of atomic coordinates defining the three-dimensional structure of a core Staphylococcus aureus DnaG primase; (b) selecting a potential agent by performing rational drug design with the atomic coordinates obtained in step (a), wherein said selecting is performed in conjunction with computer modeling;

(c) contacting the potential agent with a Staphylococcus aureus culture; and

(d) measuring the growth of the Staphylococcus aureus culture under conditions in which the Staphylococcus aureus culture grows in the absence of the agent; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus growth when there is a decrease in the growth of the Staphylococcus aureus culture in the presence of the agent relative to in its absence.

13. A method of identifying an agent for use as an inhibitor of Staphylococcus aureus DnaG primase comprising:

(a) selecting a potential agent by performing rational drug design with the set of atomic coordinates in Table 1 or in Table 2, wherein said selecting is performed in conjunction with computer modeling;

(b) contacting the potential agent with a Staphylococcus aureus DnaG primase; and

(c) measuring the activity of the Staphylococcus aureus DnaG primase; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus DnaG primase when there is a decrease in the activity of the Staphylococcus aureus DnaG primase in the presence of the agent relative to in its absence.

14. A method of identifying an agent that inhibits Staphylococcus aureus growth comprising: (a) selecting a potential agent by performing rational drug design with the set of atomic coordinates in Table 1 or in Table 2, wherein said selecting is performed in conjunction with computer modeling;

(b) contacting the potential agent with a Staphylococcus aureus culture; and

(c) measuring the growth of the Staphylococcus aureus culture under conditions in which the Staphylococcus aureus culture grows in the absence of the agent; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus growth when there is a decrease in the growth of the Staphylococcus aureus culture in the presence of the agent relative to in its absence.

15. A method of identifying a compound that is predicted to inhibit Staphylococcus aureus growth comprising:

(a) defining the structure of a Staphylococcus aureus DnaG primase or a portion of a Staphylococcus aureus RNAP by the atomic coordinates in Table 1; wherein the portion of the Staphylococcus aureus DnaG primase comprises sufficient structural information to perform step (b); and

(b) identifying a compound that is predicted to inhibit Staphylococcus aureus growth; wherein said identifying is performed using the structure defined in step (a).

16. A method of identifying a compound that is predicted to inhibit Staphylococcus aureus growth comprising:

(a) defining the structure of a core Staphylococcus aureus DnaG primase or a portion of a core Staphylococcus aureus RNAP by the atomic coordinates in Table 1; wherein the portion of the Staphylococcus aureus DnaG primase comprises sufficient structural information to perform step (b); and

(b) identifying a compound that is predicted to inhibit Staphylococcus aureus growth; wherein said identifying is performed using the structure defined in step (a).

17. A method of identifying an agent for use as an inhibitor Escherichia coliDnaG primase comprising:

(a) obtaining a set of atomic coordinates defining the three-dimensional structure of a core Escherichia coliDnaG primase complexed with manganese;

(b) selecting a potential agent by performing rational drug design with the atomic coordinates obtained in step (a), wherein said selecting is performed in conjunction with computer modeling and wherein said agent is predicted by such selecting to interact with amino acid residues of the core Escherichia coliDnaG primase that coordinate the manganese;

(c) contacting the potential agent with an Escherichia coliDnaG primase; and

(d) measuring the activity of the Escherichia coliDnaG primase; wherein a potential agent is identified as an agent that inhibits Escherichia coliDnaG primase when there is a decrease in the activity of the Escherichia coliDnaG primase in the presence of the agent relative to in its absence.

18. A method of identifying an agent that inhibits Escherichia coli growth comprising: (a) obtaining a set of atomic coordinates defining the three-dimensional structure of a core Escherichia coliDnaG primase complexed with manganese;

(b) selecting a potential agent by performing rational drug design with the atomic coordinates obtained in step (a), wherein said selecting is performed in conjunction with computer modeling and wherein said agent is predicted by such selecting to interact with amino acid residues of the core Escherichia coliDnaG primase that coordinate the manganese;

(c) contacting the potential agent with a Escherichia coli culture; and

(d) measuring the growth of the Escherichia coli culture under conditions in which the Escherichia coli culture grows in the absence of the agent; wherein a potential agent is identified as an agent that inhibits Escherichia coli growth when there is a decrease in the growth of the Escherichia coli culture in the presence of the agent relative to in its absence.

19. A method of identifying an agent for use as an inhibitor Escherichia cσ//DnaG primase comprising:

(a) selecting a potential agent by performing rational drug design with the set of atomic coordinates in Table 3, wherein said selecting is performed in conjunction with computer modeling and wherein said agent is predicted by such selecting to interact with amino acid residues of a core Escherichia coliDnaG primase that coordinate a manganese;

(b) contacting the potential agent with a Escherichia coliDnaG primase; and

(c) measuring the activity of the Escherichia coliDnaG primase; wherein a potential agent is identified as an agent that inhibits Escherichia coliDnaG primase when there is a decrease in the activity of the Escherichia coliDnaG primase in the presence of the agent relative to in its absence.

20. A method of identifying an agent that inhibits Escherichia coli growth comprising:

(a) selecting a potential agent by performing rational drug design with the set of atomic coordinates in Table 3, wherein said selecting is performed in conjunction with computer modeling and wherein said agent is predicted by such selecting to interact with amino acid residues of a core Escherichia coliDnaG primase that coordinate a manganese;

(b) contacting the potential agent with a Escherichia coli culture; and

(c) measuring the growth of the Escherichia coli culture under conditions in which the Escherichia coli culture grows in the absence of the agent; wherein a potential agent is identified as an agent that inhibits Escherichia coli growth when there is a decrease in the growth of the Escherichia coli culture in the presence of the agent relative to in its absence.

21 . A method of identifying a compound that is predicted to inhibit Escherichia coliDnaG primase comprising:

(a) defining the structure of an Escherichia coliDnaG primase or a portion of the Escherichia coliDnaG primase by the atomic coordinates in Table 3; wherein the portion of the Escherichia coliDnaG primase comprises sufficient structural information to perform step (b); and (b) identifying a compound that is predicted to inhibit Escherichia coliDnaG primase; wherein said identifying is performed using the structure defined in step (a).

22. A method of identifying a compound that is predicted to inhibit Escherichia coli growth comprising:

(a) defining the structure of a core Escherichia coliDnaG primase or a portion of the core Escherichia coli RNAP by the atomic coordinates in Table 3; wherein the portion of the Escherichia co/i DnaG primase comprises sufficient structural information to perform step (b); and

(b) identifying a compound that is predicted to inhibit Escherichia α?//growth; wherein said identifying is performed using the structure defined in step (a).

23. A method of identifying an agent for use as an inhibitor of Staphylococcus aureusDnaG primase comprising:

(a) obtaining a set of determined atomic coordinates defining the three- dimensional structure of a core Staphylococcus aureus DnaG primase;

(b) constructing a model of a Staphylococcus aureus DnaG primase defined by model atomic coordinates wherein the root mean square deviation between the model atomic coordinates and the determined atomic coordinates of the Staphylococcus aureus DnaG primase amino acids Tyrl42, Argl46, Arg222, Lys230, Tyr231, Asn233, Lys242, Glu266, Gly267, Asp270, Gly287, Asp310, Asp312, Ala314, Gly315, Ala318, Asp343, and Asp345 is not more than about 1.15 Angstroms; (c) selecting a potential agent by performing rational drug design with the model atomic coordinates constructed in step (b), wherein said selecting is performed in conjunction with computer modeling;

(d) contacting the potential agent with a Staphylococcus aureus DnaG primase; and

(e) measuring the activity of the Staphylococcus aureus DnaG primase; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus DnaG primase when there is a decrease in the activity of the Staphylococcus aureus DnaG primase in the presence of the agent relative to in its absence.

24. A method of identifying an agent for use as an inhibitor of both Staphylococcus aureus DnaG primase and Escherichia coliDnaG primase comprising:

(a) obtaining a first set of atomic coordinates defining the three-dimensional structure of a core Staphylococcus aureus DnaG primase;

(b) obtaining a second set of atomic coordinates defining the three-dimensional structure of a core Escherichia coli DnaG primase;

(c) aligning the first and second sets of atomic coordinates with a computer wherein homologous active site amino acid residues of the core Staphylococcus aureus DnaG primase and the core Escherichia coli DnaG primase are optimally aligned;

(d) selecting a potential agent by performing rational drug design with the first and second sets of atomic coordinates aligned in step (c), wherein said selecting is performed in conjunction with computer modeling; (e) contacting the potential agent with a Staphylococcus aureus DnaG primase;

(f) measuring the activity of the Staphylococcus aureus DnaG primase;

(g) contacting the potential agent with an Escherichia coliDnaG primase; and

(h) measuring the activity of the Escherichia coliDnaG primase; wherein a potential agent is further identified as an agent that inhibits both Staphylococcus aureus DnaG primase and Escherichia coliDnaG primase when there is a decrease in the activity of the Staphylococcus aureus DnaG primase in the presence of the agent relative to in its absence and there is a decrease in the activity of the Escherichia coliDnaG primase in the presence of the agent relative to in its absence.

25. The method of claim 24 wherein the active site amino acid residues of the core Staphylococcus aureus DnaG primase include Tyrl42, Argl46, Arg222, Lys230, Tyr231, Asn233, Lys242, Glu266, Gly267, Asp270, Gly287, Asp310, Asp312, Ala314, Gly315, Ala318, Asp343, and Asp345 and the active site amino acid residues of the core Escherichia coli DnaG primase include Tyrl42, Argl46, Arg221, Lys229, Tyr230, Asn232, Lys241, Val263, Glu265, Gly266, Asp269, Gly286, Asp309, Asp311, Ala313, Gly314, Ala317, Asp345, and Asp347.

26. A method of identifying an agent for use as an inhibitor of Staphylococcus aureus DnaG primase but not Escherichia coliDnaG primase comprising:

(a) obtaining a first set of atomic coordinates defining the three-dimensional structure of a core Staphylococcus aureus DnaG primase; (b) obtaining a second set of atomic coordinates defining the three-dimensional structure of a core Escherichia coli DnaG primase;

(c) aligning the first and second sets of atomic coordinates with a computer wherein homologous amino acid residues in active sites of the core Staphylococcus aureus DnaG primase and the core Escherichia coli DnaG primase are optimally aligned;

(d) selecting a potential agent by performing rational drug design with the first and second sets of atomic coordinates aligned in step (c), wherein said selecting is performed in conjunction with computer modeling;

(e) contacting the potential agent with a Staphylococcus aureus DnaG primase;

(f) measuring the activity of the Staphylococcus aureus DnaG primase;

(g) contacting the potential agent with an Escherichia coliDnaG primase; and

(h) measuring the activity of the Escherichia coliDnaG primase; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus DnaG primase but not Escherichia coliDnaG primase when there is a decrease in the activity of the Staphylococcus aureus DnaG primase in the presence of the agent relative to in its absence wherein a potential agent is identified as an agent and there is no decrease in the activity of the Escherichia coliDnaG primase in the presence of the agent relative to in its absence;.

27. A method of identifying an agent for use as an inhibitor of Staphylococcus aureus DnaG primase but not Escherichia coliDnaG primase comprising: (a) obtaining a first set of atomic coordinates defining the three-dimensional structure of a core Staphylococcus aureus DnaG primase and a ligand, wherein the ligand is in contact with the core Staphylococcus aureus DnaG primase;

(b) obtaining a second set of atomic coordinates defining the three-dimensional structure of a core Escherichia DnaG primase;

(c) aligning the first and second sets of atomic coordinates with a computer wherein homologous amino acid residues of the core Staphylococcus aureus DnaG primase that contact the ligand and the core Escherichia coli DnaG primase are optimally aligned;

(d) selecting a potential agent by performing rational drug design with the first and second sets of atomic coordinates aligned in step (c), wherein said selecting is performed in conjunction with computer modeling;

(e) contacting the potential agent with a Staphylococcus aureus DnaG primase;

(f) measuring the activity of the Staphylococcus aureus DnaG primase;

(g) contacting the potential agent with an Escherichia coliDnaG primase; and

(h) measuring the activity of the Escherichia coli DnaG primase; wherein a potential agent is identified as an agent that inhibits Staphylococcus aureus DnaG primase but not Escherichia coli DnaG primase when there is a decrease in the activity of the Staphylococcus aureus DnaG primase in the presence of the agent relative to in its absence wherein a potential agent is identified as an agent and there is no decrease in the activity of the Escherichia coli DnaG primase in the presence of the agent relative to in its absence;