Patent Publication Number: US-7225083-B2

Title: Crystallographic structure of the androgen receptor ligand binding domain

Description:
This application is a divisional application of U.S. application Ser. No. 09/687,609, filed Oct. 13, 2000, now U.S. Pat. No. 6,795,776 which claims the benefit of U.S. Provisional Application No. 60/159,394, filed Oct. 14, 1999. 
    
    
     FIELD OF INVENTION 
     The present invention relates to compositions and crystals of androgen receptor ligand binding domain optionally in complex with its ligand. This invention also relates to methods of using the structure coordinates of the androgen receptor ligand binding domain/ligand complex to solve the structure of similar or homologous proteins or protein complexes. This invention also relates to methods for designing and selecting ligands that bind to the androgen receptor and methods of using such ligands. 
     BACKGROUND OF THE INVENTION 
     The androgen receptor (AR) is a member of the steroid nuclear-receptor superfamily of ligand-dependent transcription factors. The binding of androgen to AR initiates the gene activation required for male sex development. 
     AR is an important target primarily in two drug discovery areas. In oncology drug discovery, inhibitors (antagonists or partial antagonists) of androgen receptor function are useful for treatment of anti-androgen refractory prostate cancer. In metabolic diseases drug discovery, agonists or partial agonists to the androgen receptor in muscle are useful to treat age-related diseases. 
     As with the other members of the steroid receptor family, AR has several functional domains including a DNA binding domain (DBD), and a 261 residue ligand-binding domain (LBD) (Mw=30,245 Da) which contains the androgen binding site, and is responsible for switching on the androgen function. 
     Development of synthetic ligands that specifically bind to androgen receptors has been largely guided by trial and error method of drug design despite the importance of the androgen receptor in physiological processes and medical conditions such as prostate cancer and modulation of reproductive organ modulation. Previously, new ligands specific for androgen receptors were discovered in the absence of information on the three dimensional structure of the androgen receptor with a bound ligand. Before the present invention, researchers were essentially discovering androgen receptor ligands by probing in the dark and without the ability to visualize how the amino acids of the androgen receptor held a ligand in its grasp. 
     Consequently, it would be advantageous to devise methods and compositions for reducing the time required to discover ligands to the androgen receptor, synthesize such compounds and administer such compounds to organisms to modulate physiological processes regulated by the androgen receptor. 
     The cDNA and amino acid sequences of human and rat androgen receptors have been described (Proc. Natl. Acad. Sci. U.S.A. 1988 85: 7211–7215). However, there have been no crystals reported of any androgen receptor. Thus, x-ray crystallographic analysis of such proteins has not been possible. 
     We have discovered the first crystal structure of the androgen receptor ligand binding domain (AR-LBD). Our understanding of the androgen receptor structure has allowed for the determination of the ligand binding site for selective androgen receptor modulators (SARMs). 
     SUMMARY OF THE INVENTION 
     The present invention provides crystals of AR-LBD and crystals of an AR-LBD bound to a ligand, i.e. an AR-LBD/AR-LBD ligand complex. Most preferably the AR-LBD ligand is dihydrotestosterone (DHT). Thus, the present invention is directed to a crystal of an AR-LBD comprising: 
     1) an AR-LBD and an AR-LBD ligand or 
     2) an AR-LBD without an AR-LBD ligand; 
     wherein said crystal diffracts to at least 3 angstrom resolution and has a crystal stability within 5% of its unit cell dimensions. The crystal of AR or AR-LBD preferably has at least 200 amino acid and preferably comprises amino acid sequence 672 to 917 of rat AR or the AR amino acid sequence 672 to 917 of human AR. 
     The present invention also provides the structure coordinates of the AR-LBD/AR-LBD ligand complex. The complete coordinates are listed in Table A. 
     The present invention also provides a method for determining at least a portion of the three-dimensional structure of molecules or molecular complexes which contain at least some structurally similar features to the androgen receptor ligand binding domain. It is preferred that these molecules or molecular complexes comprise at least a part of the ligand binding site defined by structure coordinates of AR-LBD amino acids V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, I737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, I869, L873, H874, F876, T877 and F878 according to Table A, or a mutant or homologue thereof. Since the protein sequences for rat and human AR LBD are identical, the human numbering system was used herein. 
     The present invention also provides a machine-readable data storage medium which comprises a data storage material encoded with machine readable data defined by the structure coordinates of an AR-LBD/AR-LBD ligand or ligand complex according to Table A or a homologue of the complex. 
     The present invention further provides a binding site in AR-LBD for an AR-LBD ligand as well as methods for designing or selecting AR modulators including agonists, partial agonists, antagonists, partial antagonists and/or selective androgen receptor modulators (SARMs) of AR using information about the crystal structures disclosed herein. 
    
    
     
       BRIEF DESCRIPTION OF THE DRAWING 
         FIG. 1  is a ribbon style drawing of the Androgen Receptor LBD. The substrate DHT is shown as a ball-and-stick figure. 
         FIG. 2  is a comparison of the androgen receptor ligand binding domain with progesterone receptor ligand binding domain. 
         FIG. 3  provides three views of the omit electron density map of dihydrotestosterone (DHT) in the hormone-binding site of AR-LBD. There are hydrogen bonds between the steroid and the side chains of Arg 752 and Asn 705. 
         FIG. 4  is a comparison of the binding of dihydrotestosterone to AR-LBD (top) and of progesterone to PR-LBD (bottom). Note that an additional hydrogen bond interaction would be possible if both the sidechains of both N719 and the progesterone were flipped. 
     
    
    
     DETAILED DESCRIPTION OF THE INVENTION 
     The first crystal structure of the androgen receptor ligand binding domain (AR-LBD) has been determined to 2.0 Å resolution. Crystals of rat AR-LBD were grown from precipitating solutions containing 0.9 M Sodium Tartrate, 0.1 M Na Hepes, pH 7.5. X-ray diffraction from the crystals have the symmetry and systematic absences of the orthorhombic space group P212121 with unit cell dimensions a=56.03 Å, b=66.27 Å, c=70.38 Å, and one molecule per asymmetric unit (Mathews Volume=2.16 Å 3  Da −1 ). The structure was determined by the method of molecular replacement using the structure of the Progesterone Receptor LBD (PR-LBD) as the search model. 
     The complex of AR-LBD with dihydrotestosterone (DHT) shows the mode of binding of the steroid to the receptor in the agonist conformation. 
     
       
         
         
             
             
         
       
     
     The following abbreviations are used throughout the application:
     A=Ala=Alanine   V=Val=Valine   L=Leu=Leucine   I=Ile=Isoleucine   P=Pro=proline   F=Phe=phenylalanine   W=Trp=Tryptophan   M=Met=Methionine   G=Gly=Glycine   S=Ser=Serine   T=Thr=Threonine   C=Cys=Cysteine   Y=Tyr=yrosine   N=Asn=Asparagine   Q=Gln=Glutamine   D=Asp=Aspartic Acid   E=GIu=Glutamic Acid   K=Lys=Lysine   R=Arg=Arginine   H=His=Histidine   “Atom type” refers to the element whose coordinates have been determined. Elements are defined by the first letter in the column.   “X, Y, Z” crystallographically define the atomic position determined for each atom.   “B” is a thermal factor that measures movement of the atom around its atomic center.   “Occ” is an occupancy factor that refers to the fraction of the molecules in which each atom occupies the position specified by the coordinates. A value of “1” indicates that each atom has the same conformation, i.e., the same position, in all molecules of the crystal.   Additional definitions are set forth in the specification where necessary.   

     The androgen receptor (AR) described herein is intended to include any polypeptide which has the activity of the naturally occurring androgen receptor. The AR and AR-LBD contemplated herein includes all vertebrate and mammalian forms such as rat, mouse, pig, goat, horse, guinea pig, rabbit, monkey, orangutan and human. Such terms also include polypeptides that differ from naturally occurring forms of AR and AR-LBD by having amino acid deletions, substitutions, and additions, but which retain the activity of AR and AR-LBD, respectively. The crystal structure of the invention preferably contains at least 25%, more preferably at least 50%, more preferably at least 75%, more preferably at least 90%, more preferably at least 95%, more preferably at least 99%, and most preferably all of the coordinates listed in Table A. The crystal of the AR-LBD/AR-LBD ligand of the invention preferably has the following unit cell dimensions in angstroms: a=56.03±5% , b=66.27±5%, c=70.38±5% and an orthorhombic space group P212121. 
     The AR-LBD ligand of this invention is any peptide, peptide mimetic or nonpeptide, including small organic molecules, that is capable of acting as a ligand for AR-LBD. In a preferred embodiment, the AR-LBD ligand is an AR modulator. By “AR modulator” it is meant an agonist or activator, a partial agonist or partial activator, an antagonist or inhibitor, or a partial antagonist or partial inhibitor which demonstrates tissue specific activations of the AR. Such compounds are also referred to herein as SARMs (selective androgen receptor modulators) of the AR-LBD. Examples of preferred agonists include androgens such as dihydrotestosterone. 
     The peptides referred to herein (e.g., AR, AR-LBD, and the like) may be produced by any well-known method, including synthetic methods, such as solid phase, liquid phase and combination solid phase/liquid phase syntheses; recombinant DNA methods, including cDNA cloning, optionally combined with site directed mutagenesis; and/or purification of the natural products, optionally combined with enzymatic cleavage methods to produce fragments of naturally occurring 
     Advantageously, the crystallizable compositions provided by this invention are amenable to x-ray crystallography. Thus, this invention also provides the three-dimensional structure of the AR-LBD/AR-LBD ligand complex, particularly the complex of rat AR-LBD with dihydrotestosterone. 
     The three-dimensional structure of the AR-LBD/dihydrotestosterone complex of this invention is defined by a set of structure coordinates as set forth in Table A. The term “structure coordinates” refers to Cartesian coordinates derived from mathematical equations related to the patterns obtained on diffraction of a monochromatic beam of X-rays by the atoms (scattering centers) of an androgen receptor/dihydrotestosterone complex in crystal form. The diffraction data are used to calculate an electron density map of the repeating unit of the crystal. The electron density maps are then used to establish the positions of the individual atoms of the complex. 
     Those of skill in the art will understand that a set of structure coordinates for a receptor or receptor/ligand complex or a portion thereof, is a relative set of points that define a shape in three dimensions. Thus, it is possible that an entirely different set of coordinates could define a similar or identical shape. Moreover, slight variations in the individual coordinates will have little effect on overall shape. 
     The variations in coordinates discussed above may be generated because of mathematical manipulations of the structure coordinates. For example, the structure coordinates set forth in Table A could be manipulated by crystallographic permutations of the structure coordinates, fractionalization of the structure coordinates; integer additions or subtractions to sets of the structure coordinates, inversion of the structure coordinates or any combination of the above. 
     Alternatively, modifications in the crystal structure due to mutations, additions, substitutions, and/or deletions of amino acids, or other changes in any of the components that make up the crystal could also account for variations in structure coordinates. If such variations are within an acceptable standard error as compared to the original coordinates, the resulting three-dimensional shape is considered to be the same. 
     Various computational analyses are therefore necessary to determine whether a molecule or molecular complex or a portion thereof is sufficiently similar to all or parts of the androgen receptor/dihydrotestosterone described above as to be considered the same. Such analyses may be carried out in current software applications, such as the Molecular Similarity application of QUANTA (Molecular Simulations Inc., San Diego, Calif.) version 4.1, and as described in the accompanying User&#39;s Guide. 
     The Molecular Similarity application permits comparisons between different structures, different conformations of the same structure, and different parts of the same structure. The procedure used in Molecular Similarity to compare structures is divided into four steps: 1) load the structures to be compared; 2) define the atom equivalences in these structures; 3) perform a fitting operation; and 4) analyze the results. 
     Each structure is identified by a name. One structure is identified as the target (i.e., the fixed structure); all remaining structures are working structures (i.e., moving structures). Since atom equivalency within QUANTA is defined by user input, for the purpose of this invention we will define equivalent atoms as protein backbone atoms (N, Cs, C and O) for all conserved residues between the two structures being compared. We will also consider only rigid fitting operations. 
     When a rigid fitting method is used, the working structure is translated and rotated to obtain an optimum fit with the target structure. The fitting operation uses an algorithm that computes the optimum translation and rotation to be applied to the moving structure, such that the root mean square difference of the fit over the specified pairs of equivalent atom is an absolute minimum. This number, given in angstroms, is reported by QUANTA. 
     For the purpose of this invention, any molecule or molecular complex that has a root mean square deviation of conserved residue backbone atoms (N, Cα, C, O) of less than 1.5 A when superimposed on the relevant backbone atoms described by structure coordinates listed in Table A are considered identical. More preferably, the root mean square deviation is less than 1.0 Å. In a preferred embodiment of the present invention, the molecule or molecular complex comprises at least a portion of the ligand binding site defined by structure coordinates of AR-LBD amino acids V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, I737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, I869, L873, H874, F876, T877 and F878 according to Table A, or a mutant or homologue of said molecule or molecular complex. More preferred are molecules or molecular complexes comprising all or any part of the ligand binding site defined by structure coordinates of AR-LBD amino acids N705, Q711, R752, F764 and T877 according to Table A, or a mutant or homologue of said molecule or molecular complex. Since the protein sequences for rat and human AR LBD are identical, the human numbering system has been used herein. 
     The term “complex” or “molecular complex” means AR-LBD or a mutant or homologue of AR-LBD in a covalent or non-covalent association with a chemical entity or compound. 
     For purposes of the present invention, by “at least a portion of” it is meant all or any part of the ligand binding site defined by these structure coordinates. 
     By “mutant or homologue” as used herein it is meant a molecule or molecular complex having a similar structure and/or sequences to AR-LBD. By “similar structure” it is meant a mutant or homologue having a binding pocket that has a root mean square deviation from the backbone atoms of said AR-LBD amino acids of not more than 1.5 Angstroms. By “similar sequence” it is meant a mutant or homologue having 30%, or more preferably 75%, identity with AR-LBD. 
     The term “root mean square deviation” means the square root of the arithmetic mean of the squares of the deviations from the mean. It is a way to express the deviation or variation from a trend or object. For purposes of this invention, the “root mean square deviation” defines the variation in the backbone of a protein or protein complex from the relevant portion of the backbone of the AR portion of the complex as defined by the structure coordinates described herein. 
     Once the structure coordinates of a protein crystal have been determined they are useful in solving the structures of other crystals. 
     Thus, in accordance with the present invention, the structure coordinates of an androgen receptor/dihydrotestosterone complex, and in particular a complex, and portions thereof is stored in a machine-readable storage medium. Such data may be used for a variety of purposes, such as drug discovery and x-ray crystallographic analysis or protein crystal. 
     Accordingly, in one embodiment of this invention is provided a machine-readable data storage medium comprising a data storage material encoded with the structure coordinates set forth in Table A. 
     One embodiment utilizes System 10 as disclosed in WO 98/11134, the disclosure of which is incorporated herein by reference in its entirety 
     For the first time, the present invention permits the use of structure-based or rational drug design techniques to design, select, and synthesize chemical entities, including inhibitory and stimulatory compounds that are capable of binding to AR-LBD, or any portion thereof. 
     One particularly useful drug design technique enabled by this invention is iterative drug design. Iterative drug design is a method for optimizing associations between a protein and a compound by determining and evaluating the three-dimensional structures of successive sets of protein/compound complexes. 
     Those of skill in the art will realize that association of natural ligands or substrates with the binding pockets of their corresponding receptors or enzymes is the basis of many biological mechanisms of action. The term “binding pocket” as used herein, refers to a region of a molecule or molecular complex, that, as a result of its shape, favorably associates with another chemical entity or compound. Similarly, many drugs exert their biological effects through association with the binding pockets of receptors and enzymes. Such associations may occur with all or any parts of the binding pockets. An understanding of such associations will help lead to the design of drugs having more favorable associations with their target receptor or enzyme, and thus, improved biological effects. Therefore, this information is valuable in designing potential ligands or inhibitors of receptors or enzymes, such as inhibitors of AR. 
     The term “associating with” refers to a condition of proximity between chemical entities or compounds, or portions thereof. The association may be non-covalent—wherein the juxtaposition is energetically favored by hydrogen bonding or van der Waals or electrostatic interactions—or it may be covalent. 
     In iterative drug design, crystals of a series of protein/compound complexes are obtained and then the three-dimensional structures of each complex is solved. Such an approach provides insight into the association between the proteins and compounds of each complex. This is accomplished by selecting compounds with inhibitory activity, obtaining crystals of this new protein/compound complex, solving the three dimensional structure of the complex, and comparing the associations between the new protein/compound complex and previously solved protein/compound complexes. By observing how changes in the compound affected the protein/compound associations, these associations may be optimized. 
     In some cases, iterative drug design is carried out by forming successive protein-compound complexes and then crystallizing each new complex. Alternatively, a pre-formed protein crystal is soaked in the presence of an inhibitor, thereby forming a protein/compound complex and obviating the need to crystallize each individual protein/compound complex. 
     As used herein, the term “soaked” refers to a process in which the crystal is transferred to a solution containing the compound of interest. 
     The structure coordinates set forth in Table A can also be used to aid in obtaining structural information about another crystallized molecule or molecular complex. This may be achieved by any of a number of well-known techniques, including molecular replacement. 
     The structure coordinates set forth in Table A can also be used for determining at least a portion of the three-dimensional structure of molecules or molecular complexes which contain at least some structurally similar features to AR. In particular, structural information about another crystallized molecule or molecular complex may be obtained. This may be achieved by any of a number of well-known techniques, including molecular replacement. 
     Therefore, in another embodiment this invention provides a method of utilizing molecular replacement to obtain structural information about a crystallized molecule or molecular complex whose structure is unknown comprising the steps of:
     a) generating an X-ray diffraction pattern from said crystallized molecule or molecular complex;   b) applying at least a portion of the structure coordinates set forth in Table A to the X-ray diffraction pattern to generate a three-dimensional electron density map of the molecule or molecular complex whose structure is unknown; and   c) using all or a portion of the structure coordinates set forth in Table A to generate homology models of AR-LBD or any other nuclear hormone receptor ligand binding domain.   

     Preferably, the crystallized molecule or molecular complex is obtained by soaking a crystal of this invention in a solution. 
     By using molecular replacement, all or part of the structure coordinates of the AR-LBD/AR-LBD ligand complex provided by this invention or molecular complex whose structure is unknown more quickly and efficiently than attempting to determine such information ab initio. 
     Molecular replacement provides an accurate estimation of the phases for an unknown structure. Phases are a factor in equations used to solve crystal structures that can not be determined directly. Obtaining accurate values for the phases, by methods other than molecular replacement, is a time-consuming process that involves iterative cycles of approximations and refinements and greatly hinders the solution of crystal structures. However, when the crystal structure of a protein containing at least a homologous portion has been solved, the phases from the known structure provide a satisfactory estimate of the phases for the unknown structure. 
     Thus, this method involves generating a preliminary model of a molecule or molecular complex whose structure coordinates are unknown, by orienting and positioning the relevant portion of the AR-LBD/AR-LBD ligand complex according to Table A within the unit cell of the crystal of the unknown molecule or molecular complex so as best to account for the observed X-ray diffraction pattern of the crystal of the molecule or molecular complex whose structure is unknown. Phases can then be calculated from this model and combined with the observed X-ray diffraction pattern amplitudes to generate an electron density map of the structure whose coordinates are unknown. This, in turn, can be subjected to any well-known model building and structure refinement techniques to provide a final, accurate structure of the unknown crystallized molecule or molecular complex [E. Lattman, “Use of the Rotation and Translation Functions”, in Meth. Enzymol., 115, pp. 55–77 (1985); M. G. Rossmann, ed., “The Molecular Replacement Method”, Int. Sci. Rev. Set., No. 13, Gordon &amp; Breach, New York (1972)]. 
     The structure of any portion of any crystallized molecule or molecular complex, or mutant, homologue or orphan receptor that is sufficiently homologous to any portion of the AR-LBD/AR-LBD ligand complex can be solved by this method. Along with the aforementioned AR, there also exist a number of AR for which the activating or deactivating ligands may not be characterized. These proteins are classified as AR due to strong sequence homology to other AR, and are known as orphan receptors. 
     The structure coordinates are also particularly useful to solve the structure of crystals of AR-LBD/AR-LBD ligand co-complexed with a variety of chemical entities. This approach enables the determination of the optimal sites for interaction between chemical entities, including interaction of candidate AR inhibitors with the complex. For example, high resolution X-ray diffraction data collected from crystals exposed to different types of solvent allows the determination of where each type of solvent molecule resides. Small molecules that bind tightly to these sites can then be designed and synthesized and tested for their AR inhibition activity. 
     All of the complexes referred to above may be studied using well-known X-ray diffraction techniques and may be refined versus 1.5–3 A resolution X-ray data to an R value of about 0.20 or less using computer software, such as X-PLOR [Yale University, 1992, distributed by Molecular Simulations, Inc.; see, e.g., Blundell &amp; Johnson, supra; Meth. Enzymol., vol. 114 &amp; 115, H. W. Wyckoff et al., eds., Academic Press (1985)]. This information may thus be used to optimize known AR agonists, partial agonists, antagonists, partial antagonists and SARMS, and more importantly, to design new AR agonists/antagonists. 
     Accordingly, the present invention is also directed to a binding site in AR-LBD for an AR-LBD ligand in which a portion of AR-LBD ligand is in van der Walls contact or hydrogen bonding contact with at least one of the following residues: V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, 1737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, 1869, L873, H874, F876, T877, F878, L880, L881, V889, F891, P892, E893, M894, M895, A896, E897, I898, I899, S900, V901, Q902, V903, P904 or I906 of AR-LBD. For purposes of this invention, by AR-LBD binding site it is also meant to include mutants or homologues thereof. In a preferred embodiment, the mutants or homologues have at least 25% identity, more preferably 50% identity, more preferably 75% identity, and most preferably 95% identity to residues V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, I737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, I869, L873, H874, F876, T877, F878, L880, L881, V889, F891, P892, E893, M894, M895, A896, E897, I898, I899, S900, V901, Q902, V903, P904 or I906 of AR-LBD binding sites. 
     The present invention is also directed to a machine-readable data storage medium, comprising a data storage material encoded with machine readable data, wherein the data is defined by the structure coordinates of an AR-LBD/AR-LBD ligand according to Table A or a homologue of said complex, wherein said homologue comprises backbone atoms that have a root mean square deviation from the backbone atoms of the complex of not more than 3.0 Å. Preferably, the machine-readable data storage medium, according to the invention, is wherein said molecule or molecular complex is defined by the set of structure coordinates for AR-LBD/AR-LBD ligand according to Table A, or a homologue of said molecule or molecular complex, said homologue having a root mean square deviation from the backbone atoms of said amino acids of not more than 2.0 Å. In a preferred embodiment the machine-readable data storage medium comprises a data storage material encoded with a first set of machine readable data comprising a Fourier transform of at least a portion of the structural coordinates for an AR-LBD/AR-LBD ligand according to Table A; which, when combined with a second set of machine readable data comprising an X-ray diffraction pattern of a molecule or molecular complex of unknown structure, using a machine programmed with instructions for using said first set of data and said second set of data, can determine at least a portion of the structure coordinates corresponding to the second set of machine readable data, said first set of data and said second set of data. 
     The present invention also provides for computational methods using three dimensional models of the androgen receptor that are based on crystals of AR-LBD/AR-LBD ligand complex. Generally, the computational method of designing an androgen receptor ligand determines which amino acid or amino acids of the AR-LBD interact with a chemical moiety (at least one) of the ligand using a three dimensional model of a crystallized protein comprising the AR-LBD with a bound ligand, and selecting a chemical modification (at least one) of the chemical moiety to produce a second chemical moiety with a structure that either decreases or increases an interaction between the interacting amino acid and the second chemical moiety compared to the interaction between the interacting amino acid and the corresponding chemical moiety on the natural hormone. 
     The computational methods of the present invention are for designing androgen receptor synthetic ligands using such crystal and three dimensional structural information to generate synthetic ligands that modulate the conformational changes of the androgen receptor&#39;s LBD. These computational methods are particularly useful in designing an agonist, partial agonist, antagonist or partial antagonist or SARMs to the androgen receptor, wherein the agonist, partial agonist, antagonist or partial antagonist or SARMS has an extended moiety that prevents any one of a number of ligand-induced molecular events that alter the receptor&#39;s influence on the regulation of gene expression, such as preventing the normal coordination of the activation domain observed for a naturally occurring ligand or other ligands that mimic the naturally occurring ligand, such as an agonist. As described herein, synthetic ligands of the androgen receptor will be useful in modulating androgen receptor activity in a variety of medical conditions. 
     AR is known to comprise various domains as follows:
     1) a variable amino-terminal domain;   2) a highly conserved DNA-binding domain (DBD); and   3) a less conserved carboxyl-terminal ligand-binding domain (LBD).   This modularity permits different domains of each protein to separately accomplish different functions, although the domains can influence each other. The separate function of a domain is usually preserved when a particular domain is isolated from the remainder of the protein. Using conventional protein chemistry techniques a modular domain can sometimes be separated from the parent protein. Using conventional molecular biology techniques each domain can usually be separately expressed with its original function intact or chimerles of two different nuclear receptors can be constructed, wherein the chimetics retain the properties of the individual functional domains of the respective nuclear receptors from which the chimerica were generated.
 
Amino Terminal Domain
   

     The amino terminal domain is the least conserved of the three domains. This domain is involved in transcriptional activation and in some cases its uniqueness may dictate selective receptor-DNA binding and activation of target genes by specific receptor isoforms. This domain can display synergistic and antagonistic interactions with the domains of the LBD. For example, studies with mutated and/or deleted receptors show positive cooperativity of the amino and carboxy terminal domains. In some cases, deletion of either of these domains will abolish the receptor&#39;s transcriptional activation functions. 
     DNA-Binding Domain 
     The DBD is the most conserved domain. The DBD contains two perpendicularly oriented a-helixes that extend from the base of the first and second zinc fingers. The two zinc fingers function in concert along with non-zinc finger residues to direct nuclear receptors to specific target sites on DNA and to align receptor homodimer or heterodimer interfaces. Various amino acids in DBD influence spacing between two half-sites for receptor dimer binding. 
     Ligand or AR Binding Domain 
     The LBD is the second most highly conserved domain. Whereas integrity of several different LBD sub-domains is important for ligand binding, truncated molecules containing only the LBD retain normal ligand-binding activity. This domain also participates in other functions, including dimerization, nuclear translocation and transcriptional activation. Importantly, this domain is the binding site for ligands, i.e. AR modulators, and undergoes ligand-induced conformational changes as detailed herein. 
     As described herein, the LBD of AR can be expressed, crystallized, its three dimensional structure determined with a ligand bound (either using crystal data from the same receptor or a different receptor or a combination thereof), and computational methods used to design ligands to its LBD, particularly ligands that contain an extension moiety that coordinates the activation domain of AR. 
     Once a computationally designed ligand (CDL) is synthesized, it can be tested using assays to establish its activity as an agonist, partial agonist, antagonist or partial antagonist or SARM, and affinity, as described herein. After such testing, the CDLs can be further refined by generating LBD crystals with a CDL bound to the LBD. The structure of the CDL can then be further refined using the chemical modification methods described herein for three dimensional models to improve the activity or affinity of the CDL and make second generation CDLs with improved properties, such as that of a super agonist or antagonist. 
     Typically AR-LBD is purified to homogeneity for crystallization. Purity of AR-LBD is measured with SDS-PAGE, mass spectrometry and hydrophobic HPLC. The purified AR for crystallization should be at least 97.5% pure or 97.5%, preferably at least 99.0% pure or 99.0% pure, more preferably at least 99.5% pure or 99.5% pure. 
     Initially purification of the unliganded receptor can be obtained by conventional techniques, such as hydrophobic interaction chromatography (HPLC), ion exchange chromatography (HPLC), and heparin affinity chromatography. 
     To achieve higher purification for improved crystals of AR, it will be desirable to ligand shift purify the nuclear receptor using a column that separates the receptor according to charge, such as an ion exchange or hydrophobic interaction column, and then bind the eluted receptor with a ligand, especially an agonist or partial agonist. The ligand induces a change in the receptor&#39;s surface charge such that when re-chromatographed on the same column, the receptor then elutes at the position of the liganded receptor are removed by the original column run with the unliganded receptor. Usually saturating concentrations of ligand are used in the column and the protein can be preincubated with the ligand prior to passing it over the column. 
     More recently developed methods involve engineering a “tag” such as with histidine placed on the end of the protein, such as on the amino terminus, and then using a nickle chelation column for purification, Janknecht R., Proc. Natl. Acad.Sci. USA Vol 88:8972–8976 (1991) incorporated by reference. 
     To determine the three dimensional structure of a AR-LBD, it is desirable to co-crystalize the LBD with a corresponding LBD ligand. 
     Typically purified AR-LBD is equilibrated at a saturating concentration of ligand at a temperature that preserves the integrity of the protein. Ligand equilibration can be established between 2 and 37° C., although the receptor tends to be more stable in the 2–20° C. range. 
     Preferably crystals are made with the hanging drop methods. Regulated temperature control is desirable to improve crystal stability and quality. Temperatures between 4 and 25° C. are generally used and it is often preferable to test crystallization over a range of temperatures. It is preferable to use crystallization temperatures from 18 to 25° C., more preferably 20 to 23° C., and most preferably 22° C. 
     Ligands that interact with AR can act as an agonist, partial agonist, antagonist or partial antagonist or SARM based on what ligand-induced conformational changes take place. 
     Agonists or partial agonists induce changes in receptors that place them in an active conformation that allows them to influence transcription, either positively or negatively. There may be several different ligand-induced changes in the receptor&#39;s conformation. 
     Antagonists or partial antagonists bind to receptors, but fail to induce conformational changes that alter the receptor&#39;s transcriptional regulatory properties or physiologically telcram conformations. Binding of an antagonist or partial antagonist can also block the binding and therefore the actions of an agonist or partial agonist. 
     Partial agonists, or partial antagonists, bind to receptors and induce only part of the changes in the receptors that are induced by agonists or antagonists, respectively. The differences can be qualitative or quantitative. Thus, a partial agonist or partial antagonist may induce some of the conformation changes induced by agonists or antagonists, respectively, but not others, or it may only induce certain changes to a limited extent. 
     As described herein, the unliganded receptor is in a configuration that is either inactive, has some activity or has repressor activity. Binding of agonist ligands induces conformational changes in the receptor such that the receptor becomes more active, either to stimulate or repress the expression of genes. The receptors may also have non-genomic actions, some of the known types of changes and/or the sequelae of these are listed herein. 
     Heat shock protein binding domains present a region for binding to the LBD and can be modulated by the binding of a ligand to the LBD. Consequently, an extended chemical moiety (or more) from the ligand that stabilizes the binding or comact of the heat shock protein binding domain with the LBD can be designed. Typically such chemical moieties will extend past and away from the molecular recognition domain on the ligand and usually past the buried binding cavity of the ligand. 
     Ligand binding by the receptor is a dynamic process, which regulates receptor function by inducing an altered conformation. 
     The three-dimensional structure of the liganded AR receptor will greatly aid in the development of new AR synthetic ligands. In addition, AR is overall well suited to modem methods including three-dimensional structure elucidation and combinatorial chemistry such as those disclosed in EP 335 628, U.S. Pat. No. 5,463,564, which are incorporated herein by reference. Computer programs that use crystallography data when practicing the present invention will enable the rational design of ligand to AR. Programs such as RASMOL can be used with the atomic coordinates from crystals generated by practicing the invention or used to practice the invention by generating three dimensional models and/or determining the structures involved in ligand binding. Computer programs such as INSIGHT and GRASP allow for further manipulation and the ability to introduce new structures. In addition, high throughput binding and bioactivity assays can be devised using purified recombinant protein and modem reporter gene transcription assays described herein and known in the art in order to refine the activity of a CDL. 
     Generally the computational method of designing an AR synthetic ligand comprises two steps:
     1) determining which amino acid or amino acids of AR-LBD interacts with a first chemical moiety (at least one) of the ligand using a three dimensional model of a crystallized protein comprising an AR-LBD with a bound ligand; and   2) selecting a chemical modifications (at least one) of the first chemical moiety to produce a second chemical moiety with a structure to either decrease or increase an interaction between the interacting amino acid and the second chemical moiety compared to the interaction between the interacting amino acid and the first chemical moiety.   Preferably the method is carried out wherein said three dimensional model is generated by comparing isomorphous ligand derivatives to produce improved phasing. Further preferred is wherein said method comprises determining a change in interaction between said interacting amino acid and said ligand after chemical modification of said first chemical moiety, especially wherein said three dimensional model is generated by comparing isomorphous ligand derivatives to produce improved phasing. Also preferred is wherein said selecting uses said first chemical moiety that interacts with at least one of the interacting amino acids V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, I737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, I869, L873, H874, F876, T877, F878, L880, L881, V889, F891, P892, E893, M894, M895, A896, E897, I898, I899, S900, V901, Q902, V903, P904 or I906.   

     As shown herein, interacting amino acids form contacts with the ligand and the center of the atoms of the interacting amino acids are usually 2 to 4 angstroms away from the center of the atoms of the ligand. Generally these distances are determined by computer as discussed herein and in McRee 1993, however distances can be determined manually once the three dimensional model is made. See also Wagner et al., Nature 378(6558):670–697 (1995) for stereochemical figures of -three dimensional models. More commonly, the atoms of the ligand and the atoms of interacting amino acids are 3 to 4 angstroms apart. The invention can be practiced by repeating steps I and 2 to refine the fit of the ligand to the LBD and to determine a better ligand, such as an agonist, partial agonist, antagonist or partial antagonist or SARM. The three dimensional model of AR can be represented in two dimensions to determine which amino acids contact the ligand and to select a position on the ligand for chemical modification and changing the interaction with a particular amino acid compared to that before chemical modification. The chemical modification may be made using a computer, manually using a two dimensional representation of the three dimensional model or by chemically synthesizing the ligand. The ligand can also interact with distant amino acids after chemical modification of the ligand to create a new ligand. Distant amino acids are generally not in contact with the ligand before chemical modification. A chemical modification can change the structure of the ligand to make as new ligand that interacts with a distant amino acid usually at least 4.5 angstroms away from the ligand, preferably wherein said first chemical moiety is 6 to 12 angstroms away from a distant amino acid. Often distant amino acids will not line the surface of the binding cavity for the ligand, they are too far away from the ligand to be part of a pocket or binding cavity. The interaction between a LBD amino acid and an atom of an LBD ligand can be made by any force or attraction described in nature. Usually the interaction between the atom of the amino acid and the ligand will be the result of a hydrogen bonding interaction, charge interaction, hydrophobic interaction, van der Waals interaction or dipole interaction. In the case of the hydrophobic interaction it is recognized that this is not a per se interaction between the amino acid and ligand, but rather the usual result, in part, of the repulsion of water or other hydrophilic group from a hydrophobic surface. Reducing or enhancing the interaction of the LBD and a ligand can be measured by calculating or testing binding energies, computationally or using thermodynamic or kinetic methods as known in the art. 
     Chemical modifications will often enhance or reduce interactions of an atom of a LBD amino acid and an atom of an LBD ligand. Steric hindrance will be a common means of changing the interaction of the LBD binding cavity with the activation domain. 
     The present invention also provides methods for identifying compounds that modulate androgen receptor activity. Various methods or combinations thereof can be used to identify these compounds. For example, test compounds can be modeled that fit spatially into the AR-LBD as defined by structure coordinates according to Table A, or using a three-dimensional structural model of AR-LBD, mutant AR-LBD or AR-LBD homolog or portion thereof. Structure coordinates of the ligand binding site, in particular amino acids V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, I737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, I869, L873, H874, F876, T877, F878, L880, L881, V889, F891, P892, E893, M894, M895, A896, E897, I898, I899, S900, V901, Q902, V903, P904 or I906 can also be used to identify structural and chemical features. Identified structural or chemical features can then be employed to design or select compounds as potential AR modulators. By structural and chemical features it is meant to include, but is not limited to, van der Waals interactions, hydrogen bonding interactions, charge interaction, hydrophobic bonding interaction, hydrophobic interaction and dipole interaction. Alternatively, or in conjunction, the three-dimensional structural model or the ligand binding site can be employed to design or select compounds as potential AR modulators. Compounds identified as potential AR modulators can then be synthesized and screened in an assay characterized by binding of a test compound to the AR-LBD. Examples of assays useful in screening of potential AR modulators include, but are not limited to, screening in silico, in vitro assays and high throughput assays. Finally, these methods may also involve modifying or replacing one or more amino acids from AR-LBD such as V685, L700, L701, S702, S703, L704, N705, E706, L707, G708, E709, Q711, A735, I737, Q738, Y739, S740, W741, M742, G743, L744, M745, V746, F747, A748, M749, G750, R752, Y763, F764, A765, L768, F770, M780, M787, I869, L873, H874, F876, T877, F878, L880, L881, V889, F891, P892, E893, M894, M895, A896, E897, I898, I899, S900, V901, Q902, V903, P904 or I906 of AR-LBD according to Table A. 
     A preferred method of the invention can be described as a computational method of designing an androgen receptor antagonist from an androgen receptor agonist comprising:
         1) determining a structure of a molecular recognition domain of said agonist using a three dimensional model of a crystallized protein comprising an AR-LBD, and   2) selecting at least one chemical modification of said agonist that provides a ligand structure that extends beyond a binding site for said agonist and in the direction of at least one protein domain important in AR biological function.       

     Another preferred method of the invention can be described as a computational method of designing a selective androgen receptor modulator such as an androgen receptor super agonist or antagonist comprising:
         1) determining at least one interacting amino acid of an AR-LBD that interacts with at least one first chemical moiety of said ligand using a three dimensional model of a crystallized protein comprising AR-LBD with a bound ligand, and   2) selecting at least one chemical modification of said first chemical moiety to produce a second chemical moiety with a structure to reduce or enhance an interaction between said interacting amino acid and said second chemical moiety compared to said interaction between said interacting amino acid and said first chemical moiety.
 
However, as will be understood by those of skill in the art upon this disclosure, other structure based design methods can be used. Various computational structure based design methods have been disclosed in the art.
       

     For example, a number computer modeling systems are available in which the sequence of the AR-LBD and the AR-LBD structure (i.e., atomic coordinates of AR-LBD and/or the atomic coordinates of the active site, the bond and dihedral angles, and distances between atoms in the active site such as provided in Table A) can be input. This computer system then generates the structural details of the site in which a potential AR modulator binds so that complementary structural details of the potential modulators can be determined. Design in these modeling systems is generally based upon the compound being capable of physically and structurally associating with AR-LBD. In addition, the compound must be able to assume a conformation that allows it to associate with AR-LBD. Some modeling systems estimate the potential inhibitory or binding effect of a potential AR modulator prior to actual synthesis and testing. 
     Methods for screening chemical entities or fragments for their ability to associate with AR-LBD are also well known. Often these methods begin by visual inspection of the active site on the computer screen. Selected fragments or chemical entities are then positioned with the AR-LBD. Docking is accomplished using software such as QUANTA and SYBYL, following by energy minimization and molecular dynamics with standard molecular mechanic forcefields such as CHARMM and AMBER. Examples of computer programs which assist in the selection of chemical fragment or chemical entities useful in the present invention include, but are not limited to, GRID (Goodford , P. J. J. Med. Chem. 1985 28:849–857), AUTODOCK (Goodsell, D. S. and Olsen, A. J. Proteins, Structure, Functions, and Genetics 1990 8:195–202), and DOCK (Kunts et al. J. Mol. Biol. 1982 161:269–288). 
     Upon selection of preferred chemical entities or fragments, their relationship to each other and AR-ABD can be visualized and the entities or fragments can be assembled into a single potential modulator. Programs useful in assembling the individual chemical entities include, but are not limited to CAVEAT (Bartlett et al. Molecular Recognition in Chemical and Biological Problems Special Publication, Royal Chem. Soc. 78, 182–196 (1989)) and 3D Database systems (Martin, Y. C. J. Med. Chem. 1992 35:2145–2154). 
     Alternatively, compounds may be designed de novo using either an empty active site or optionally including some portion of a known inhibitor. Methods of this type of design include, but are not limited to LUDI (Bohm H-J, J. Comp. Aid. Molec. Design 1992 6:61–78) and LeapFrog (Tripos Associates, St. Louis, Mo.). 
     The present invention is also directed to an AR-LBD selective androgen receptor modulator (SARM), in particular an agonist or antagonist or partial agonist or partial antagonist, identified by a computational process of the invention. 
     The present invention is further directed to a method for treating prostate cancer comprising administering an effective amount of an AR modulator, preferably an antagonist or partial antagonist, identified by a computational process of the invention. 
     The present invention is also direct to a method for treating an age related disease comprising administering an effective amount of an AR modulator, preferably an agonist or partial agonist, identified by a computational process of the invention, preferably wherein said age related disease is osteoporosis, muscle wasting or loss of libido. 
     Compounds identified as agonists, partial agonists, antagonists, partial antagonists or SARMs by the methods disclosed herein which are active when given orally can be formulated as liquids for example syrups, suspensions or emulsions, tablets, capsules and lozenges. A liquid composition will generally consist of a suspension or solution of the compound in a suitable liquid carrier(s), for example ethanol, glycerin, sorbitol, non-aqueous solvent such as polyethylene glycol, oils or water, with a suspending agent, preservative, surfactant, wetting agent, flavoring or coloring agent. Alternatively, a liquid formulation can be prepared from a reconstitutable powder. For example a powder containing active compound, suspending agent, sucrose and a sweetener can be reconstituted with water to form a suspension; and a syrup can be prepared from a powder containing active ingredient, sucrose and a sweetener. A composition in the form of a tablet can be prepared using any suitable pharmaceutical carrier(s) routinely used for preparing solid compositions. Examples of such carriers include magnesium stearate, starch, lactose, sucrose, microcrystalline cellulose, binders, for example polyvinylpyrrolidone. The tablet can also be provided with a color film coating, or color included as part of the carrier(s). In addition, active compound can be formulated in a controlled release dosage form as a tablet comprising a hydrophilic or hydrophobic matrix. A composition in the form of a capsule can be prepared using routine encapsulation procedures, for example by incorporation of active compound and excipients into a hard gelatin capsule. Alternatively, a semi-solid matrix of active compound and high molecular weight polyethylene glycol can be prepared and filled into a hard gelatin capsule; or a solution of active compound in polyethylene glycol or a suspension in edible oil, for example liquid paraffin or fractionated coconut oil can be prepared and filled into a soft gelatin capsule. Compounds identified by the processes described herein which are active when given parenterally can be formulated for intramuscular or intravenous administration. A typical composition for intra-muscular administration will consist of a suspension or solution of active ingredient in an oil, for example arachis oil or sesame oil. A typical composition for intravenous administration will consist of a sterile isotonic aqueous solution containing, for example active ingredient, dextrose, sodium chloride, a co-solvent, for example polyethylene glycol and, optionally, a chelating agent, for example ethylenediaminetetracetic acid and an anti-oxidant, for example, sodium metabisulphite. Alternatively, the solution can be freeze dried and then reconstituted with a suitable solvent just prior to administration. Identified compounds which are active on rectal administration can be formulated as suppositories. A typical suppository formulation will generally consist of active ingredient with a binding and/or lubricating agent such as a gelatin or cocoa butter or other low melting vegetable or synthetic wax or fat. Identified compounds which are active on topical administration can be formulated as transdermal compositions. Such compositions include, for example, a backing, active compound reservoir, a control membrane, liner and contact adhesive. The typical daily dose of a varies according to individual needs, the condition to be treated and with the route of administration. Suitable doses are in the general range of from 0.001 to 10 mg/kg bodyweight of the recipient per day. 
     The following examples are to illustrate the invention, but should not be interpreted as a limitation thereon. 
     EXAMPLES 
     Cloning, Expression and Purification of the Androgen Receptor Ligand-Binding Domain 
     The rat androgen receptor (rAR) ligand-binding domain (LBD) cDNA, from amino acid 646 to 901, was cloned from a rat prostate cDNA library (Clontech) by PCR. The primers used were CATATGATTGAAGGCTATGAATGTCAACCTATCTTT (SEQ ID NO:3) and TCACTGTGTGTGGAAATAGATGGG (SEQ ID NO:4). The rat AR LBD was expressed as a fusion protein driven by the T7 promoter of pET28b vector (Novagen) to include an N-terminal polyhistidine tag and a thrombin cleavage site. The replacement of T877 for A (the LNCaP mutation) in this rAR LBD expression construct was performed with the QuickChange Site-Directed Mutagenesis kit (STRATAGENE). Dihydrotestosterone (DHT) was included in the  E. coli  (BL21-DE3) fermentation medium at a concentration of 0.05 mM. Induction with 0.4 mM isopropyl-β-D-thiogalactopyranoside was allowed to proceed for 16 hours at 20° C. in M9 minimal media supplemented with casamino acids (Difco) and trace minerals, and pellets were stored at −70° C. A total of 6–9 mg of recombinant AR LBD was isolated from a 15 gram cell pellet following sonication and chromatography on a nickel-chelate resin. Polyhistidine-tagged AR LBD of approximately 90% purity eluted at 0.45 M imidazole in a gradient of 0.05–1.0 imidazole. This material was quantitatively cleaved at an engineered site for thrombin recognition, followed by chromatography on benzamidine sepharose (Pharmacia) to remove the serine protease, with a 70% recovery. The final sample containing the sequence Gly-Ser-His-Met (SEQ ID NO:5) at the N-terminus followed by residues 646–901 of the rat (664–919 in the human) AR LBD protein, was concentrated for crystallography to 2 mg/ml in 20 mM Tris (pH 7.5), 0.5 M NaCl, 10% glycerol, 1 mM EDTA and 1 mM DTT. 
     The sequence of the rat Androgen Receptor LBD (AR), as cloned, with the secondary structural features marked. For comparison, the aligned sequence of the Progesterone Receptor LBD (PR) is given. Residues involved in androgen binding are marked (*). Residues which are disordered in the crystal structure are underlined. The AR sequence is SEQ ID NO:1. The PR sequence is SEQ ID NO: 2. 
                        |-H1--|               |----------H3------------------                                 660   GSHMIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGE   AR           678       GQDIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGE   PR                                                       **                   ----------|         |----------H4/5----------|       710   RQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNS   AR       724   RQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSG   PR            *                                 *      *                     SSSS  SSS |-H6|      |-----H7-----|     |---H8--       760   RMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKA   AR       774   QMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKV   PR                   -|   SSS       |------H9------|          |--------       810   LLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQL   AR       824   LLLLNTIPLEGLRSQTQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQL   PR                   ---H10/11------------| |--|     |-----H12-----|           860   TKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSG   AR       874   TKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAG   PR                            *                    SSS       910   KVKPIYFHTQ   AR       924   MVKPLLFHK   PR            
Crystallization
 
     The AR-LBD—Dihydrotestosterone (DHT) complex was crystallized at 20° C. by vapor diffusion in the hanging-drop mode. In the crystallization trials, the protein complex as obtained from MMB&amp;B was used without any further purification. In the initial trial to obtain crystallization conditions, a sparse matrix crystallization screen was done with the Crystal Screens 1 and 2 (Hampton Research). For each crystallization trial, a 2 μl drop was prepared by mixing 1 μl of purified protein (1.9 mg ml −1 ) with an equal volume of reservoir solution. The reservoir contained 1.0 ml of the precipitating solution. Small crystals were obtained in two days from six of the drops (table 1). 
                     TABLE 1                  Crystallization Conditions                         Screen/#   Precipitating Solution   Result               1/16   1.5 M Li Sulfate, 0.1 M Na Hepes, pH 7.5   Small rods       1/29   0.8 M Na/K Tartrate, 0.1 M Na Hepes,   Larger rods           pH 7.5       1/30    2% v/v PEG 400, 2.0 M Am Sulfate,   Small cubes           0.1 M Na Hepes, pH 7.5       2/20   1.6 M Mg Sulfate, 0.1 M MES, pH 6.5   Small crystallites       2/32   1.6 M Am Sulfate, 0.1 M Na Cl,   Small rods           0.1 M Hepes, pH 7.5       2/42   12% v/v Glycerol, 1.5 M Am Sulfate,   Small rods           0.1 M Tris, pH 8.5                    
The largest single crystal, measuring 0.05 mm×0.04 mm×0.26 mm, was obtained from Crystal Screen 1, solution #29 (0.8 M Na/K Tartrate, 0.1M Na Hepes, pH 7.5). This crystal was subsequently used in the initial data collection run (as described below).
 
     Optimization of the crystallization condition was done using a Cyperlab C-200 automated crystallization robotic workstation. A crystallization trial was performed using a 24-step linear gradient from 0.6 M to 1.26 M Na tartrate, 100 Mm Hepes, pH 7.5 (Note: The optimization screen used sodium rather than sodium/potassium tartrate). The largest, rod shaped crystal, with dimensions 0.09 mm×0.09 mm×0.20 mm, was obtained at 0.887 M Na Tartrate. This crystal was used in the second data collection run (as described below). 
     Data Collection and Reduction 
     For the initial X-ray experiment, the crystal from the initial crystallization screen was flash cooled by dipping it in a cryoprotectant solution containing the precipitating solution (0.8 M Na/K Tartrate, 0.1M Na Hepes, pH 7.5) with 250 mm NaCl and 20% Glycerol added and then placed it in a cold stream at 100° K. 
     For data set 1, X-ray diffraction data were collected with an R-Axis II imaging plate detector. The radiation was generated from a Rigaku RU-200 rotating at 5 kw power with a fine focus filament (0.3×3.0 mm) was monchromated (Cu Kα) and intensified by focusing with Yale mirrors (Molecular Structure Corporation). The crystal diffracted to better than 2.4 Å resolution. Autoindexing and processing of the measured intensity data was carried out with the HKL software package (Otwinoski, L. (1993) in CCP4 Study Weekend, Data Collection and Processing (Sawyer, L., Issacs, N., and Bailey, S., Eds.) pp 56–62, SERC Daresbury Laboratory, Warrington, U.K). X-ray diffraction from the crystals have the symmetry and systematic absences of the orthorhombic space group P212121 with unit cell dimensions α=56.03 Å, b=66.27 Å, c=70.38 Å, and one molecule per asymmetric unit (Mathews Volume=2.16 Å  3  Da −1 ). 
     A second X-ray diffraction data set (data set 2) was collected at the IMCA-CAT beamline (sector 171D) at the Advanced Photon Source synchrotron at Argonne, I1. The crystal from the optimization screen described above, was flash-cooled by placing it in the reservoir solution (0.877 M Na Tartrate, 0.1 M Na Hepes, pH 7.5) with 250 mm NaCl and 20% Glycerol added, and then placing it in a cold stream at 100° K. The data were collected with a Bruker 2×2 mosaic CCD detector. The crystal diffracted to better than 2.0 Å. Autoindexing and processing of the measured intensity data was carried out with the HKL2000 software package (Otwinoski, L. (1993) in CCP4 Study Weekend, Data Collection and Processing (Sawyer,L., Issacs, N., and Bailey, S., Eds.) pp 56–62, SERC Daresbury Laboratory, Warrington, U.K.). The data collection and processing statistics for both data sets are summarized in table 2. 
     Structure Determination (Molecular Replacement) 
     The structure was determined by the method of molecular replacement with the program AmoRe (Navaza, J. (1994) AmoRe: an automated package for molecular replacement. Acta Cryst. D50, 157–163). The Progesterone Receptor ligand binding domain (PR-LBD), which has 54% sequence identity and 76% sequence homology to AR-LBD, was used as the search model. The atomic coordinates of PR-LBD (Protein Data Bank reference code 1A28) by Williams &amp; Sigler (Nature 1998 393, 391) were unmodified except for the removal of the ligand and solvent molecules. A second molecular replacement search was performed with a theoretical model for the AR-LBD provided by the MMS/CADD group (table 3). The PR-LBD structure gave a slightly better solution than the AR-model (1.7σ vs. 1.3σ above background) and was used in the subsequent refinement, although both structures gave equivalent results with no molecular interpenetration. 
     
       
         
           
               
             
               
                 TABLE 2 
               
             
            
               
                   
               
               
                 Data Collection and Processing 
               
            
           
           
               
               
               
               
            
               
                   
                   
                 Data Set I 
                 Data Set II 
               
               
                   
                   
               
               
                   
                 Date 
                 May 19, 1999 
                 Jun. 17, 1999 
               
               
                   
                 Source/Detector 
                 Rigaku RU-200 
                 IMCA/APS 17ID 
               
               
                   
                 Detector 
                 R-axis II 
                 Bruker 2 × 2 
               
               
                   
                 Wavelength 
                 Cu Kα (1.54 Å) 
                 1.00 Å 
               
               
                   
                 Frames 
                 364 
                 400 
               
               
                   
                 ΔΦ 
                 0.5° 
                 0.5° 
               
               
                   
                 Crystal to plate distance 
                 150 mm 
                 135 mm 
               
               
                   
                 Time/frame 
                 20 min 
                 1 sec 
               
               
                   
                 Number of Observations 
                 209,891 
                 416,207 
               
               
                   
                 Data Reduction Program 
                 HKL 
                 HKL2000 
               
               
                   
                 Unique reflections 
                 10,824 
                 18,308 
               
               
                   
                 Reflections Used 
                 10,114 
                 16,862 
               
               
                   
                 Resolution 
                 2.4 Å (2.5–2.4 Å) 
                 2.0 Å (2.1–2.0 Å) 
               
               
                   
                 Completeness 
                 93.8% (71.6%) 
                 92.6% (73.0%) 
               
               
                   
                 Multiplicity 
                 6.3 
                 7.3 
               
               
                   
                 Mosiacity 
                 0.502 
                 0.332 
               
               
                   
                 Rsym (on I) 
                 4.2% (17.5%) 
                 10.1% (25.6%) 
               
               
                   
                 Space Group 
                 P212121 
                 P212121 
               
               
                   
                 a 
                 56.09 Å 
                 56.08 Å 
               
               
                   
                 b 
                 66.43 Å 
                 65.76 Å 
               
               
                   
                 c 
                 70.54 Å 
                 70.51 Å 
               
               
                   
                 Wilson B-value 
                 39.05 Å 2   
                 29.26 Å 2   
               
               
                   
                   
               
               
                   
                 Values for data in the last resolution shell are given in parentheses 
               
            
           
         
       
     
                     TABLE 3                  Molecular Replacement Statistics                             Progesterone           Search Model:   (PDB file 1A28)   AR Model               Program Used   AmoRe   AMoRe       Resolution Range   8.0–4.0 Å   8.0–4.0 Å       Radius of Integration   25 Å   25 Å       Number of Reflections   2,393   2,393       Number of Atoms   2,019   2,094       RE Correlation (2 nd  solution)   0.16 (0.12)   0.13 (0.11)       TF Correlation (2 nd  solution)   0.31 (0.20)   0.23 (0.14)       TF R-factor (2 nd  solution)   49.0% (52.7%)   52.1% (54.0%)       Rigid Body Correlation   0.34   0.28       Rigid Body R-factor   48.1%   50.4%                    
Structure Refinement
 
     The structure was first refined with the initial 2.4 Å data set (2σ data, 9,818 reflections) by the method of simulated annealing with program X-PLOR (Brünger, A. T., Kuriyan, J. &amp; Karplus, J. (1987) “Crystallographic R-factor refinement by molecular dynamics”,  Science  235: 458–460) in four cycles to an R-factor of 27.7%. Each refinement cycle consisted of a least-squares minimization, simulated annealing at 3000°, and individual isotropic B-factor refinement. The first cycle, with the Progesterone molecular replacement model unmodified for the sequence differences between AR and PR, gave an R-factor of 33.8%. The model was then rebuilt using the AR amino acid sequence and a second refinement cycle gave an R-factor of 29.6%. At this stage of the refinement, the DHT molecule could be clearly seen in the difference electron density map. 
     After each cycle, the structure was carefully examined using molecular computer graphics program Chain (Sack, John S. (1988) “CHAIN—A Crystallographic Modeling Program”,  J. Mol. Graphics  6: 224–225) and modifications were made to the structure as needed. Several residues, from both the N- and C-termini of the molecule, which were not seen in the electron density maps were removed from the model. After the second cycle of refinement, the DHT was added to the model. Solvent molecules were added where there were 3σ peaks in both the 2Fo–Fc and Fo–Fc electron density maps and removed if their B-factor went above 60 Å 2 . After four cycles of X-PLOR refinement, a careful examination of the electron density showed the model to be much improved, although molecular refitting still needed to be done in some regions. The density is clear except for some of the loop regions, particularly the loop between helices I and II, which was also poorly modeled in the PR structure. 
                     TABLE 4               Refinement Statistics (X-PLOR)                  Part I: 2σ data (9,818 reflections) to 2.4 Å                                 Cycle 1   251 residues   No ligand    0 waters   R = 33.8%       Cycle 2   248 residues   No ligand    0 waters   R = 29.6%       Cycle 3   247 residues   ligand    18 waters   R = 28.3%       Cycle 4   246 residues   ligand    40 waters   R = 27.7%                 Part II: 2σ data (15,067 reflections) to 2.0 Å                                 Cycle 5   246 residues   ligand    32 waters   R = 27.9%       Cycle 6   246 residues   ligand    57 waters   R = 26.8%       Cycle 7   246 residues   ligand    58 waters   R = 26.7%       Cycle 8   246 residues   ligand   106 waters   R = 24.2%                    
At this stage of the refinement, the higher resolution data collected at the APS synchrotron became available. Four additional X-PLOR refinement cycles were performed with the 2.0 Å data set (2σ data, 15,067 reflections) following the same protocol. The final structure has an R-factor of 24.2% with a total of 106 solvent molecules. The final refinement statistics are presented in table 5.
 
                     TABLE 5               Final Refinement Parameters                                                Resolution Range   10.0–2.0 Å           Reflections   15,067           R-factor   24.2%           R-free   31.2%           # residues   246 (672–917)           # atoms   2118 (1991 atoms, 21 DHT, 106 waters)           RMS deviations           bond lengths   0.014 Å           bind angles   1.594°           Improper angles   1.558°           Average B-factors           Protein   25.02 Å 2             DHT   14.40 Å 2             Water   30.21 Å 2             Wilson B-factor   29.26 Å 2                          
Description of the Molecule
 
     The structure of AR-LBD is complete from residues 671 through 917 for the wild-type and 672 to 918 for the LNCaP mutant. Analysis of the structures with program PROCHECK showed only minor exceptions to the allowed geometry. In the wild-type structure, the first six residues of the chain (664–670) are not seen in the electron density and are probably disordered. This leaves only one residue before the initial residue of the first α-helix (H1) in the wild-type structure, none in the LNCaP mutant structure. On the C-terminal end, the last two residues (918–919) are not seen in the electron density of the wild-type structure, but only the last is missing in the mutant. In addition, since the loop between helices 9 and 10 (residues 845–850) is not well defined, it has been modeled as poly-alanine. 
     Folding and Packing 
     As expected, the AR LBD has the same overall three-dimensional structure as those of the other nuclear hormone receptor LBDs. The molecule is folded into a “helical sandwich” consisting of 10 α-helices. There are four small pieces of beta strand, forming two short beta-sheets; one in the core of the molecule between helices 5 and 6 near the ligand binding site, and the other formed by the loop between helices 8 and 9 and the C-terminus. This latter sheet, also seen in the PR LBD structure, holds helix 12 in the closed, agonist conformation, close to and capping the ligand binding site. 
     Lack of Dimer Formation 
     Studies have indicated that the estrogen, progesterone, and androgen receptors all function as homodimers and that AR LBD forms dimers in solution. Thus it could be expected that the AR LBD domains might form homodimers in the crystal similar to those previously seen in the RXR-α and estrogen receptor (ER) LBD crystal structures. In the PR LBD structure, the two monomers in the asymmetric unit are related by a dyad, but the two-fold-symmetric configuration is strikingly different from that of the RXR and ER homodimers and the area buried in this configuration is much smaller than would be expected for stable dimer formation. In the AR LBD crystal, the ligand-binding domains are unmistakably monomeric, and there are no twofold axes relating domains. Moreover, the homodimer interaction seen in the structures of ER and RXR LBDs is not possible for the AR LBD, as the C-terminal tail is bound to the groove formed by helices 9 and 10, thereby obstructing the contact region between monomers in RXR and ER homodimers. Whether this observation reflects a non-dimeric state of the AR LBD in the functional AR dimer or is an artifact of the conditions used for AR LBD crystallization remains to be determined. It is noteworthy that the ER LBD constructs used for crystallization have been truncated to remove an analogous C-terminal extension. 
     Comparison with Progesterone Receptor p While there is only 55% sequence identity between AR LBD and PR LBD, there is a 77% sequence similarity, and as expected, the three-dimensional structures of these two LBDs are very similar with an r.m.s. deviation of 1.3 Å between corresponding Cα atom positions. As with PR, AR LBD has no helix 2, but its helix 12 is longer than those of RXR or TR. In the case of AR, while helices 10 and 11 are nearly contiguous, there is a proline residue at position 868 that causes a kink between the two helices .
 
Comparison with Theoretical AR Model
 
     The theoretical AR model obtained from MMS/CADD and the AR structure have an r.m.s. deviation of 1.29 Å for the 247 alpha carbons. More importantly, the hormone binding site is virtually identical with the exception of the side chains of Met 732(749), Leu 863(880), and Leu 864 (881) which are in different rotomers. This causes the binding cavity to be more compact in the AR structure. Also, there is a flip of the side chain of Asn 688(705) so that the ND2 atom is in position to make a hydrogen bond to the carbonyl off of the D-ring. 
                     TABLE 6                  Comparison of AR-LBD to PR-LBD and Theoretical model                                     Calpha   Main   Side   Total               AR vs. Pr   1.22 (246)    1.27 (983)    1.80 (772)    1.53 (1,755)       AR vs. CADD   1.25 (246)   1.31 (983)   2.41 (971)   1.93 (1,954)                    
Binding of Dihydrotestosterone
 
     At the end of the molecular replacement procedure with the PR LBD structure without progesterone as search model, the largest piece of difference electron density, at approximately the 3σ level, was found at the progesterone-binding site. Replacing the bound progesterone agonist (which has a carboxyl group at the 17-position) with a model of d-hydrotestosterone (DHT, which has a hydroxyl group at the 17-position) produced an even better fit to the difference electron density, indicating that DHT binds to AR LBD in an almost identical fashion to the way progesterone binds to PR LBD. Both agonists interact with helices 3, 5, and 11 of their respective LBDs. Ring A, which is identical in the two steroids, makes similar interactions with the side chains of Q711, M745, R752 (Q725, M759, R766 in PR LBD), and a conserved water molecule. The interactions with ring C are also similar, with close contacts to the mainchain of L704 (L718 in PR LBD) and sidechain of N705 (N719 in PR LBD). The contact between C18 and the Oγl of T877 is unique to the wild-type AR LBD, as the corresponding cysteinyl side chain is pointed away from the steroid in the PR LBD structure. 
     Since progesterone and DHT differ in the substituent on ring D, it is expected that interactions with respective receptors will differ in this region. In the AR LBD structure, Nδ2 of N705 makes a hydrogen bond to the D-ring hydroxyl of DHT. A similar interaction could be made between progesterone and the PR LBD if there were a flip of both the steroid acetyl group and the side chain of N719. This would place the oxygen approximately 3.2 Å from the Nδ2 atom of Asn 719. The ligand contact surface area is slightly larger for progesterone in PR than for DHT in AR (483 vs. 448 Å 2 ) but they are both considerably smaller than the ligand contact surface area in TR (559 Å 2 ), PPARγ (583 Å 2 ), or the Vitamin D receptor (677 Å 2 ). 
       FIG. 3  shows two orthogonal views of the omit electron density map of dihydrotestosterone (DHT) in the hormone-binding site of AR-LBD. There are hydrogen bonds between the steroid and the side chains of Arg 752 and Asn 705. 
                     TABLE 7               Dihydrotestosterone Contacts (3.4 Å)                                                    Hydrogen Bonds                   O3   Arg 752 Nh2   2.89 Å (2.77 A)           O3   Gln 711 Nε2   3.36 Å (3.20 A)           O20   Asn 705 Nδ2   2.80 Å (3.20 A)           O20   Thr 877 Oγ1   2.70 Å (N/A)           Possible           Close Contacts                   C11   Leu 704 O   3.31 Å           C12   Asn 705 Nδ2   3.07 Å           C17   Asn 705 Nδ2   3.34 Å           C19   Met 745 Sδ   3.38 Å           C18   Thr 877 Oγ1   3.07 Å                        
Comparison with Progesterone Binding
 
     Comparison of the structure of DHT in the AR-LBD with the structure of progesterone in the PR-LBD (Williams, S. P. &amp; Sigler, P. B. (1998) “Atomic Structure of Progesterone Complexed with its Receptor”, Nature 393, 391) shows a similar mode of binding. Ring A, which is identical in the two steroids, makes similar interactions with the side chains of Q711, M745, R752, Q711 and a conserved water molecule (table 8). The interaction with ring C are also similar, with close contacts to the mainchain of L704 and sidechain of N705. The contact from C 18 to the Oγ1 of T877 is unique to AR-LBD, as the corresponding cysteine sidechain is pointed away from the steroid in the PR-LBD structure 
     Since progesterone and DHT differ in the substitution off of ring D, it is expected that there will be different interactions with the protein in this region. In the AR structure, the Nδ2 atom of Asn 705 makes hydrogen bond to the D-ring hydroxyl. 
     A similar interaction could be made in the PR if there were a flip of both the steroid carboxyl group and the side chain of N719. This would place the carboxyl oxygen approximately 3.2 A from the Nδ2 atom of Asn 719. In AR-LBD, there is also a close contact to the side chain of T877 which is absent in the PR-LBD structure. 
       FIG. 4  shows comparison of AR and PR steroid binding Comparison of the binding of dihydrotestosterone to AR-LBD (top) and of progesterone to PR-LBD (bottom). Note that an additional hydrogen bond interaction would be possible if both the sidechains of both N719 and the progesterone were flipped. 
                     TABLE 8                  Comparison of AR and PR steroid binding                             AR   PR               Ring A               O3:   H-bond to R752 NH2 (2.9 A)   H-bond to R766 NH2 (2.8 A)           H-bond to water (3.5 A)   H-bond to water (3.1/3.4 A)           SC of Q711 in different   Contact to SC of Gln 725           rotomer distance to   distance to O3 is 3.2 and           O3 is 3.4 and 4.13 A   3.3 A       C19   Contact to M745 SD (3.4 A)   Similar orientation (3.5 A)       C2:   SC of Q711 (3.5 A)   different rotomer (3.2 &amp; 3.3)               distance to C4 is 4.1 A       Ring C       C11   LO704 O (3.3A)   (3.5A)       C12   Contact to N705 Nδ2 (3.1A)   Contact to N719 Oδ1 (3.4 A)       C18   Contact T877 Oγ1 (3.1 A)   SC of C891 pointing away               distance to Sγ is 3.8 A       Ring D                     O20/C21   O21 in AR is close to C21 in PR (Possible flip of Carboxyl           in PR?)                             N/A   O20: Contact to C891 Ca               (3.2 A)           O20: H-bond N705 Nδ2   C21: Contact to N719 OD1           (2.8A)   (3.2 A)           O20: Contact T877 Cγ1   SC of C891 pointing away           (2.7 A)       C17   Contact N705 Nδ2 (3.3 A)   Ring in slightly different               orientation; distance to               N719 Oδ1 is 4.7 A                    
Structure of the Complex of DHT with the LBD of the LNCaP Mutant
 
     In the LNCaP mutant, T877 is replaced by an alanine residue. The mutant LBD structure has an r.m.s. deviation of 0.8 Å compared to the wild-type structure, close to the expected r.m.s. deviation due to the estimated errors in the coordinates. In particular, the binding of DHT is essentially identical by wild-type and mutant LBDs except at the point of mutation. Here the replacement of T877 by alanine leaves additional space off the D-ring of DHT to accommodate a larger substituent on position 17. This may explain the promiscuous ability of the LNCaP mutant, unlike wild-type AR, to bind to a variety of other hormones and analogs like some progestins, estrogens and cortisols that differ from DHT in substitution at position 17. For example, the binding of flutamide, estradiol, and progesterone to the LNCaP mutant can activate the mutant receptor. Conversely, mutation of T877 to residues with larger sidechains such as aspartic acid and lysine would be expected completely preclude the binding of ligands with any substituent at position 17 of the D-ring and such mutations have been shown to totally eliminate androgen binding. 
     
       
         
           
               
               
               
               
               
               
               
               
               
               
             
               
                 TABLE A 
               
               
                   
               
             
            
               
                 ATOM 
                 1 
                 CB 
                 ILE 
                 672 
                 14.846 
                 25.527 
                 23.734 
                 1.00 
                 25.78 
               
               
                 ATOM 
                 2 
                 CG2 
                 ILE 
                 672 
                 16.247 
                 25.008 
                 24.099 
                 1.00 
                 25.56 
               
               
                 ATOM 
                 3 
                 CG1 
                 ILE 
                 672 
                 14.842 
                 27.035 
                 23.978 
                 1.00 
                 25.60 
               
               
                 ATOM 
                 4 
                 CD1 
                 ILE 
                 672 
                 15.312 
                 27.404 
                 25.360 
                 1.00 
                 25.81 
               
               
                 ATOM 
                 5 
                 C 
                 ILE 
                 672 
                 15.115 
                 23.900 
                 21.789 
                 1.00 
                 25.32 
               
               
                 ATOM 
                 6 
                 O 
                 ILE 
                 672 
                 16.189 
                 23.926 
                 21.195 
                 1.00 
                 24.67 
               
               
                 ATOM 
                 7 
                 N 
                 ILE 
                 672 
                 13.004 
                 25.282 
                 22.008 
                 1.00 
                 24.75 
               
               
                 ATOM 
                 8 
                 CA 
                 ILE 
                 672 
                 14.475 
                 25.215 
                 22.242 
                 1.00 
                 25.11 
               
               
                 ATOM 
                 9 
                 N 
                 PHE 
                 673 
                 14.448 
                 22.768 
                 22.030 
                 1.00 
                 25.89 
               
               
                 ATOM 
                 10 
                 CA 
                 PHE 
                 673 
                 14.980 
                 21.446 
                 21.635 
                 1.00 
                 25.86 
               
               
                 ATOM 
                 11 
                 CB 
                 PHE 
                 673 
                 14.020 
                 20.306 
                 22.029 
                 1.00 
                 26.22 
               
               
                 ATOM 
                 12 
                 CG 
                 PHE 
                 673 
                 14.557 
                 18.923 
                 21.722 
                 1.00 
                 25.12 
               
               
                 ATOM 
                 13 
                 CD1 
                 PHE 
                 673 
                 15.765 
                 18.501 
                 22.251 
                 1.00 
                 25.16 
               
               
                 ATOM 
                 14 
                 CD2 
                 PHE 
                 673 
                 13.877 
                 18.066 
                 20.874 
                 1.00 
                 25.81 
               
               
                 ATOM 
                 15 
                 CE1 
                 PHE 
                 673 
                 16.286 
                 17.255 
                 21.946 
                 1.00 
                 23.42 
               
               
                 ATOM 
                 16 
                 CE2 
                 PHE 
                 673 
                 14.403 
                 16.809 
                 20.567 
                 1.00 
                 25.08 
               
               
                 ATOM 
                 17 
                 CZ 
                 PHE 
                 673 
                 15.609 
                 16.417 
                 21.107 
                 1.00 
                 23.85 
               
               
                 ATOM 
                 18 
                 C 
                 PHE 
                 673 
                 15.213 
                 21.374 
                 20.147 
                 1.00 
                 25.25 
               
               
                 ATOM 
                 19 
                 O 
                 PHE 
                 673 
                 16.260 
                 20.926 
                 19.680 
                 1.00 
                 24.38 
               
               
                 ATOM 
                 20 
                 N 
                 LEU 
                 674 
                 14.193 
                 21.792 
                 19.412 
                 1.00 
                 25.01 
               
               
                 ATOM 
                 21 
                 CA 
                 LEU 
                 674 
                 14.237 
                 21.802 
                 17.969 
                 1.00 
                 25.58 
               
               
                 ATOM 
                 22 
                 CB 
                 LEU 
                 674 
                 12.833 
                 21.974 
                 17.391 
                 1.00 
                 26.05 
               
               
                 ATOM 
                 23 
                 CG 
                 LEU 
                 674 
                 12.067 
                 20.653 
                 17.317 
                 1.00 
                 26.55 
               
               
                 ATOM 
                 24 
                 CD1 
                 LEU 
                 674 
                 10.617 
                 20.887 
                 16.935 
                 1.00 
                 26.35 
               
               
                 ATOM 
                 25 
                 CD2 
                 LEU 
                 674 
                 12.762 
                 19.758 
                 16.304 
                 1.00 
                 26.09 
               
               
                 ATOM 
                 26 
                 C 
                 LEU 
                 674 
                 15.199 
                 22.801 
                 17.357 
                 1.00 
                 25.10 
               
               
                 ATOM 
                 27 
                 O 
                 LEU 
                 674 
                 15.743 
                 22.518 
                 16.294 
                 1.00 
                 26.08 
               
               
                 ATOM 
                 28 
                 N 
                 ASN 
                 675 
                 15.440 
                 23.939 
                 18.019 
                 1.00 
                 24.63 
               
               
                 ATOM 
                 29 
                 CA 
                 ASN 
                 675 
                 16.356 
                 24.964 
                 17.484 
                 1.00 
                 23.19 
               
               
                 ATOM 
                 30 
                 CB 
                 ASN 
                 675 
                 16.478 
                 26.215 
                 18.393 
                 1.00 
                 24.20 
               
               
                 ATOM 
                 31 
                 CG 
                 ASN 
                 675 
                 15.206 
                 27.067 
                 18.452 
                 1.00 
                 24.32 
               
               
                 ATOM 
                 32 
                 OD1 
                 ASN 
                 675 
                 14.368 
                 27.062 
                 17.547 
                 1.00 
                 24.82 
               
               
                 ATOM 
                 33 
                 ND2 
                 ASN 
                 675 
                 15.076 
                 27.817 
                 19.539 
                 1.00 
                 24.74 
               
               
                 ATOM 
                 34 
                 C 
                 ASN 
                 675 
                 17.726 
                 24.338 
                 17.397 
                 1.00 
                 21.66 
               
               
                 ATOM 
                 35 
                 O 
                 ASN 
                 675 
                 18.435 
                 24.524 
                 16.417 
                 1.00 
                 21.43 
               
               
                 ATOM 
                 36 
                 N 
                 VAL 
                 676 
                 18.095 
                 23.612 
                 18.448 
                 1.00 
                 21.17 
               
               
                 ATOM 
                 37 
                 CA 
                 VAL 
                 676 
                 19.394 
                 22.952 
                 18.507 
                 1.00 
                 20.92 
               
               
                 ATOM 
                 38 
                 CB 
                 VAL 
                 676 
                 19.718 
                 22.442 
                 19.934 
                 1.00 
                 21.33 
               
               
                 ATOM 
                 39 
                 CG1 
                 VAL 
                 676 
                 18.899 
                 21.237 
                 20.247 
                 1.00 
                 24.09 
               
               
                 ATOM 
                 40 
                 CG2 
                 VAL 
                 676 
                 21.192 
                 22.095 
                 20.065 
                 1.00 
                 21.88 
               
               
                 ATOM 
                 41 
                 C 
                 VAL 
                 676 
                 19.501 
                 21.830 
                 17.473 
                 1.00 
                 19.78 
               
               
                 ATOM 
                 42 
                 O 
                 VAL 
                 676 
                 20.421 
                 21.827 
                 16.646 
                 1.00 
                 19.99 
               
               
                 ATOM 
                 43 
                 N 
                 LEU 
                 677 
                 18.530 
                 20.923 
                 17.434 
                 1.00 
                 19.08 
               
               
                 ATOM 
                 44 
                 CA 
                 LEU 
                 677 
                 18.601 
                 19.848 
                 16.453 
                 1.00 
                 17.91 
               
               
                 ATOM 
                 45 
                 CB 
                 LEU 
                 677 
                 17.383 
                 18.921 
                 16.518 
                 1.00 
                 17.50 
               
               
                 ATOM 
                 46 
                 CG 
                 LEU 
                 677 
                 17.267 
                 18.083 
                 17.798 
                 1.00 
                 16.78 
               
               
                 ATOM 
                 47 
                 CD1 
                 LEU 
                 677 
                 16.355 
                 16.934 
                 17.541 
                 1.00 
                 17.01 
               
               
                 ATOM 
                 48 
                 CD2 
                 LEU 
                 677 
                 18.615 
                 17.555 
                 18.225 
                 1.00 
                 17.10 
               
               
                 ATOM 
                 49 
                 C 
                 LEU 
                 677 
                 18.768 
                 20.427 
                 15.068 
                 1.00 
                 16.96 
               
               
                 ATOM 
                 50 
                 O 
                 LEU 
                 677 
                 19.640 
                 20.008 
                 14.347 
                 1.00 
                 14.94 
               
               
                 ATOM 
                 51 
                 N 
                 GLU 
                 678 
                 17.980 
                 21.445 
                 14.736 
                 1.00 
                 19.12 
               
               
                 ATOM 
                 52 
                 CA 
                 GLU 
                 678 
                 18.058 
                 22.121 
                 13.437 
                 1.00 
                 20.06 
               
               
                 ATOM 
                 53 
                 CB 
                 GLU 
                 678 
                 16.972 
                 23.188 
                 13.317 
                 1.00 
                 23.33 
               
               
                 ATOM 
                 54 
                 CG 
                 GLU 
                 678 
                 15.532 
                 22.646 
                 13.381 
                 1.00 
                 28.64 
               
               
                 ATOM 
                 55 
                 CD 
                 GLU 
                 678 
                 14.459 
                 23.736 
                 13.387 
                 1.00 
                 32.31 
               
               
                 ATOM 
                 56 
                 OE1 
                 GLU 
                 678 
                 14.811 
                 24.943 
                 13.374 
                 1.00 
                 34.41 
               
               
                 ATOM 
                 57 
                 OE2 
                 GLU 
                 678 
                 13.253 
                 23.384 
                 13.410 
                 1.00 
                 34.91 
               
               
                 ATOM 
                 58 
                 C 
                 GLU 
                 678 
                 19.410 
                 22.783 
                 13.243 
                 1.00 
                 19.33 
               
               
                 ATOM 
                 59 
                 O 
                 GLU 
                 678 
                 19.966 
                 22.737 
                 12.152 
                 1.00 
                 18.20 
               
               
                 ATOM 
                 60 
                 N 
                 ALA 
                 679 
                 19.966 
                 23.324 
                 14.329 
                 1.00 
                 19.45 
               
               
                 ATOM 
                 61 
                 CA 
                 ALA 
                 679 
                 21.257 
                 24.018 
                 14.303 
                 1.00 
                 18.84 
               
               
                 ATOM 
                 62 
                 CB 
                 ALA 
                 679 
                 21.388 
                 24.919 
                 15.517 
                 1.00 
                 17.67 
               
               
                 ATOM 
                 63 
                 C 
                 ALA 
                 679 
                 22.472 
                 23.094 
                 14.195 
                 1.00 
                 19.25 
               
               
                 ATOM 
                 64 
                 O 
                 ALA 
                 679 
                 23.479 
                 23.436 
                 13.558 
                 1.00 
                 19.27 
               
               
                 ATOM 
                 65 
                 N 
                 ILE 
                 680 
                 22.395 
                 21.914 
                 14.802 
                 1.00 
                 18.82 
               
               
                 ATOM 
                 66 
                 CA 
                 ILE 
                 680 
                 23.518 
                 20.984 
                 14.742 
                 1.00 
                 17.49 
               
               
                 ATOM 
                 67 
                 CB 
                 ILE 
                 680 
                 23.674 
                 20.231 
                 16.056 
                 1.00 
                 17.05 
               
               
                 ATOM 
                 68 
                 CG2 
                 ILE 
                 680 
                 24.022 
                 21.213 
                 17.158 
                 1.00 
                 16.83 
               
               
                 ATOM 
                 69 
                 CG1 
                 ILE 
                 680 
                 22.393 
                 19.467 
                 16.391 
                 1.00 
                 15.55 
               
               
                 ATOM 
                 70 
                 CD1 
                 ILE 
                 680 
                 22.558 
                 18.575 
                 17.552 
                 1.00 
                 13.80 
               
               
                 ATOM 
                 71 
                 C 
                 ILE 
                 680 
                 23.516 
                 19.984 
                 13.593 
                 1.00 
                 16.89 
               
               
                 ATOM 
                 72 
                 O 
                 ILE 
                 680 
                 24.518 
                 19.303 
                 13.370 
                 1.00 
                 17.12 
               
               
                 ATOM 
                 73 
                 N 
                 GLU 
                 681 
                 22.415 
                 19.922 
                 12.847 
                 1.00 
                 16.79 
               
               
                 ATOM 
                 74 
                 CA 
                 GLU 
                 681 
                 22.265 
                 19.002 
                 11.719 
                 1.00 
                 17.26 
               
               
                 ATOM 
                 75 
                 CB 
                 GLU 
                 681 
                 20.902 
                 19.227 
                 11.094 
                 1.00 
                 16.72 
               
               
                 ATOM 
                 76 
                 CG 
                 GLU 
                 681 
                 20.579 
                 18.300 
                 9.952 
                 1.00 
                 18.48 
               
               
                 ATOM 
                 77 
                 CD 
                 GLU 
                 681 
                 20.473 
                 16.823 
                 10.348 
                 1.00 
                 17.51 
               
               
                 ATOM 
                 78 
                 OE1 
                 GLU 
                 681 
                 20.659 
                 16.502 
                 11.524 
                 1.00 
                 17.58 
               
               
                 ATOM 
                 79 
                 OE2 
                 GLU 
                 681 
                 20.214 
                 15.981 
                 9.467 
                 1.00 
                 18.59 
               
               
                 ATOM 
                 80 
                 C 
                 GLU 
                 681 
                 23.370 
                 19.128 
                 10.673 
                 1.00 
                 18.79 
               
               
                 ATOM 
                 81 
                 O 
                 GLU 
                 681 
                 23.517 
                 20.173 
                 10.043 
                 1.00 
                 20.09 
               
               
                 ATOM 
                 82 
                 N 
                 PRO 
                 682 
                 24.145 
                 18.044 
                 10.437 
                 1.00 
                 19.02 
               
               
                 ATOM 
                 83 
                 CD 
                 PRO 
                 682 
                 23.969 
                 16.704 
                 11.019 
                 1.00 
                 18.22 
               
               
                 ATOM 
                 84 
                 CA 
                 PRO 
                 682 
                 25.252 
                 18.021 
                 9.472 
                 1.00 
                 19.11 
               
               
                 ATOM 
                 85 
                 CB 
                 PRO 
                 682 
                 25.681 
                 16.546 
                 9.493 
                 1.00 
                 18.30 
               
               
                 ATOM 
                 86 
                 CG 
                 PRO 
                 682 
                 25.338 
                 16.109 
                 10.846 
                 1.00 
                 17.08 
               
               
                 ATOM 
                 87 
                 C 
                 PRO 
                 682 
                 24.912 
                 18.475 
                 8.057 
                 1.00 
                 19.76 
               
               
                 ATOM 
                 88 
                 O 
                 PRO 
                 682 
                 23.771 
                 18.382 
                 7.625 
                 1.00 
                 21.13 
               
               
                 ATOM 
                 89 
                 N 
                 GLY 
                 683 
                 25.901 
                 18.995 
                 7.339 
                 1.00 
                 20.64 
               
               
                 ATOM 
                 90 
                 CA 
                 GLY 
                 683 
                 25.665 
                 19.422 
                 5.972 
                 1.00 
                 21.67 
               
               
                 ATOM 
                 91 
                 C 
                 GLY 
                 683 
                 25.809 
                 18.260 
                 4.990 
                 1.00 
                 23.13 
               
               
                 ATOM 
                 92 
                 O 
                 GLY 
                 683 
                 25.595 
                 17.108 
                 5.355 
                 1.00 
                 23.47 
               
               
                 ATOM 
                 93 
                 N 
                 VAL 
                 684 
                 26.190 
                 18.567 
                 3.748 
                 1.00 
                 23.58 
               
               
                 ATOM 
                 94 
                 CA 
                 VAL 
                 684 
                 26.365 
                 17.573 
                 2.685 
                 1.00 
                 22.44 
               
               
                 ATOM 
                 95 
                 CB 
                 VAL 
                 684 
                 26.320 
                 18.216 
                 1.259 
                 1.00 
                 24.93 
               
               
                 ATOM 
                 96 
                 CG1 
                 VAL 
                 684 
                 26.217 
                 17.130 
                 0.183 
                 1.00 
                 24.57 
               
               
                 ATOM 
                 97 
                 CG2 
                 VAL 
                 684 
                 25.153 
                 19.228 
                 1.131 
                 1.00 
                 24.89 
               
               
                 ATOM 
                 98 
                 C 
                 VAL 
                 684 
                 27.725 
                 16.934 
                 2.811 
                 1.00 
                 20.64 
               
               
                 ATOM 
                 99 
                 O 
                 VAL 
                 684 
                 28.708 
                 17.614 
                 3.042 
                 1.00 
                 19.82 
               
               
                 ATOM 
                 100 
                 N 
                 VAL 
                 685 
                 27.778 
                 15.631 
                 2.585 
                 1.00 
                 19.05 
               
               
                 ATOM 
                 101 
                 CA 
                 VAL 
                 685 
                 29.012 
                 14.878 
                 2.665 
                 1.00 
                 17.89 
               
               
                 ATOM 
                 102 
                 CB 
                 VAL 
                 685 
                 28.955 
                 13.857 
                 3.867 
                 1.00 
                 17.81 
               
               
                 ATOM 
                 103 
                 CG1 
                 VAL 
                 685 
                 30.303 
                 13.189 
                 4.086 
                 1.00 
                 15.58 
               
               
                 ATOM 
                 104 
                 CG2 
                 VAL 
                 685 
                 28.527 
                 14.556 
                 5.147 
                 1.00 
                 16.27 
               
               
                 ATOM 
                 105 
                 C 
                 VAL 
                 685 
                 29.143 
                 14.112 
                 1.345 
                 1.00 
                 17.88 
               
               
                 ATOM 
                 106 
                 O 
                 VAL 
                 685 
                 28.238 
                 13.367 
                 0.969 
                 1.00 
                 18.33 
               
               
                 ATOM 
                 107 
                 N 
                 CYS 
                 686 
                 30.224 
                 14.339 
                 0.609 
                 1.00 
                 17.00 
               
               
                 ATOM 
                 108 
                 CA 
                 CYS 
                 686 
                 30.451 
                 13.628 
                 −0.650 
                 1.00 
                 17.52 
               
               
                 ATOM 
                 109 
                 CB 
                 CYS 
                 686 
                 31.101 
                 14.534 
                 −1.706 
                 1.00 
                 17.76 
               
               
                 ATOM 
                 110 
                 SG 
                 CYS 
                 686 
                 30.166 
                 16.031 
                 −2.147 
                 1.00 
                 21.38 
               
               
                 ATOM 
                 111 
                 C 
                 CYS 
                 686 
                 31.354 
                 12.447 
                 −0.327 
                 1.00 
                 16.97 
               
               
                 ATOM 
                 112 
                 O 
                 CYS 
                 686 
                 32.141 
                 12.496 
                 0.615 
                 1.00 
                 17.15 
               
               
                 ATOM 
                 113 
                 N 
                 ALA 
                 687 
                 31.183 
                 11.360 
                 −1.065 
                 1.00 
                 17.74 
               
               
                 ATOM 
                 114 
                 CA 
                 ALA 
                 687 
                 31.949 
                 10.132 
                 −0.836 
                 1.00 
                 17.57 
               
               
                 ATOM 
                 115 
                 CB 
                 ALA 
                 687 
                 31.161 
                 8.929 
                 −1.295 
                 1.00 
                 16.91 
               
               
                 ATOM 
                 116 
                 C 
                 ALA 
                 687 
                 33.277 
                 10.161 
                 −1.526 
                 1.00 
                 18.06 
               
               
                 ATOM 
                 117 
                 O 
                 ALA 
                 687 
                 34.185 
                 9.431 
                 −1.139 
                 1.00 
                 17.98 
               
               
                 ATOM 
                 118 
                 N 
                 GLY 
                 688 
                 33.370 
                 11.023 
                 −2.539 
                 1.00 
                 18.50 
               
               
                 ATOM 
                 119 
                 CA 
                 GLY 
                 688 
                 34.580 
                 11.167 
                 −3.326 
                 1.00 
                 19.16 
               
               
                 ATOM 
                 120 
                 C 
                 GLY 
                 688 
                 34.705 
                 10.099 
                 −4.388 
                 1.00 
                 19.90 
               
               
                 ATOM 
                 121 
                 O 
                 GLY 
                 688 
                 35.802 
                 9.730 
                 −4.771 
                 1.00 
                 20.86 
               
               
                 ATOM 
                 122 
                 N 
                 HIS 
                 689 
                 33.582 
                 9.630 
                 −4.907 
                 1.00 
                 20.92 
               
               
                 ATOM 
                 123 
                 CA 
                 HIS 
                 689 
                 33.577 
                 8.576 
                 −5.912 
                 1.00 
                 22.43 
               
               
                 ATOM 
                 124 
                 CB 
                 HIS 
                 689 
                 32.195 
                 7.917 
                 −5.900 
                 1.00 
                 22.00 
               
               
                 ATOM 
                 125 
                 CG 
                 HIS 
                 689 
                 32.046 
                 6.775 
                 −6.857 
                 1.00 
                 22.28 
               
               
                 ATOM 
                 126 
                 CD2 
                 HIS 
                 689 
                 32.782 
                 5.656 
                 −7.033 
                 1.00 
                 22.64 
               
               
                 ATOM 
                 127 
                 ND1 
                 HIS 
                 689 
                 31.040 
                 6.724 
                 −7.796 
                 1.00 
                 22.44 
               
               
                 ATOM 
                 128 
                 CE1 
                 HIS 
                 689 
                 31.166 
                 5.627 
                 −8.516 
                 1.00 
                 23.43 
               
               
                 ATOM 
                 129 
                 NE2 
                 HIS 
                 689 
                 32.219 
                 4.960 
                 −8.074 
                 1.00 
                 23.78 
               
               
                 ATOM 
                 130 
                 C 
                 HIS 
                 689 
                 33.923 
                 9.063 
                 −7.328 
                 1.00 
                 24.19 
               
               
                 ATOM 
                 131 
                 O 
                 HIS 
                 689 
                 33.511 
                 10.145 
                 −7.731 
                 1.00 
                 24.06 
               
               
                 ATOM 
                 132 
                 N 
                 ASP 
                 690 
                 34.719 
                 8.296 
                 −8.073 
                 1.00 
                 26.27 
               
               
                 ATOM 
                 133 
                 CA 
                 ASP 
                 690 
                 35.017 
                 8.691 
                 −9.447 
                 1.00 
                 28.86 
               
               
                 ATOM 
                 134 
                 CB 
                 ASP 
                 690 
                 36.330 
                 8.096 
                 −9.963 
                 1.00 
                 28.93 
               
               
                 ATOM 
                 135 
                 CG 
                 ASP 
                 690 
                 36.696 
                 8.618 
                 −11.361 
                 1.00 
                 30.03 
               
               
                 ATOM 
                 136 
                 OD1 
                 ASP 
                 690 
                 37.868 
                 8.497 
                 −11.764 
                 1.00 
                 31.23 
               
               
                 ATOM 
                 137 
                 OD2 
                 ASP 
                 690 
                 35.819 
                 9.170 
                 −12.061 
                 1.00 
                 29.72 
               
               
                 ATOM 
                 138 
                 C 
                 ASP 
                 690 
                 33.872 
                 8.164 
                 −10.286 
                 1.00 
                 30.15 
               
               
                 ATOM 
                 139 
                 O 
                 ASP 
                 690 
                 33.701 
                 6.952 
                 −10.409 
                 1.00 
                 30.46 
               
               
                 ATOM 
                 140 
                 N 
                 ASN 
                 691 
                 33.065 
                 9.067 
                 −10.832 
                 1.00 
                 32.35 
               
               
                 ATOM 
                 141 
                 CA 
                 ASN 
                 691 
                 31.933 
                 8.660 
                 −11.655 
                 1.00 
                 33.60 
               
               
                 ATOM 
                 142 
                 CB 
                 ASN 
                 691 
                 30.725 
                 9.562 
                 −11.416 
                 1.00 
                 32.74 
               
               
                 ATOM 
                 143 
                 CG 
                 ASN 
                 691 
                 30.079 
                 9.313 
                 −10.074 
                 1.00 
                 32.95 
               
               
                 ATOM 
                 144 
                 OD1 
                 ASN 
                 691 
                 29.187 
                 8.474 
                 −9.930 
                 1.00 
                 32.13 
               
               
                 ATOM 
                 145 
                 ND2 
                 ASN 
                 691 
                 30.547 
                 10.024 
                 −9.069 
                 1.00 
                 33.57 
               
               
                 ATOM 
                 146 
                 C 
                 ASN 
                 691 
                 32.284 
                 8.608 
                 −13.136 
                 1.00 
                 35.13 
               
               
                 ATOM 
                 147 
                 O 
                 ASN 
                 691 
                 31.419 
                 8.733 
                 −13.999 
                 1.00 
                 36.66 
               
               
                 ATOM 
                 148 
                 N 
                 ALA 
                 692 
                 33.565 
                 8.471 
                 −13.434 
                 1.00 
                 36.15 
               
               
                 ATOM 
                 149 
                 CA 
                 ALA 
                 692 
                 33.995 
                 8.365 
                 −14.819 
                 1.00 
                 37.44 
               
               
                 ATOM 
                 150 
                 CB 
                 ALA 
                 692 
                 35.148 
                 9.328 
                 −15.103 
                 1.00 
                 36.71 
               
               
                 ATOM 
                 151 
                 C 
                 ALA 
                 692 
                 34.425 
                 6.913 
                 −15.027 
                 1.00 
                 38.39 
               
               
                 ATOM 
                 152 
                 O 
                 ALA 
                 692 
                 34.414 
                 6.406 
                 −16.139 
                 1.00 
                 39.10 
               
               
                 ATOM 
                 153 
                 N 
                 GLN 
                 693 
                 34.757 
                 6.241 
                 −13.928 
                 1.00 
                 39.29 
               
               
                 ATOM 
                 154 
                 CA 
                 GLN 
                 693 
                 35.200 
                 4.849 
                 −13.942 
                 1.00 
                 40.00 
               
               
                 ATOM 
                 155 
                 CB 
                 GLN 
                 693 
                 36.131 
                 4.577 
                 −12.745 
                 1.00 
                 41.81 
               
               
                 ATOM 
                 156 
                 CG 
                 GLN 
                 693 
                 37.538 
                 4.029 
                 −13.110 
                 1.00 
                 44.34 
               
               
                 ATOM 
                 157 
                 CD 
                 GLN 
                 693 
                 38.420 
                 5.017 
                 −13.902 
                 1.00 
                 45.44 
               
               
                 ATOM 
                 158 
                 OE1 
                 GLN 
                 693 
                 39.378 
                 5.587 
                 −13.363 
                 1.00 
                 45.95 
               
               
                 ATOM 
                 159 
                 NE2 
                 GLN 
                 693 
                 38.115 
                 5.193 
                 −15.186 
                 1.00 
                 45.47 
               
               
                 ATOM 
                 160 
                 C 
                 GLN 
                 693 
                 33.988 
                 3.939 
                 −13.854 
                 1.00 
                 39.48 
               
               
                 ATOM 
                 161 
                 O 
                 GLN 
                 693 
                 32.997 
                 4.298 
                 −13.217 
                 1.00 
                 40.11 
               
               
                 ATOM 
                 162 
                 N 
                 PRO 
                 694 
                 34.055 
                 2.743 
                 −14.485 
                 1.00 
                 38.78 
               
               
                 ATOM 
                 163 
                 CD 
                 PRO 
                 694 
                 35.138 
                 2.286 
                 −15.375 
                 1.00 
                 38.88 
               
               
                 ATOM 
                 164 
                 CA 
                 PRO 
                 694 
                 32.970 
                 1.762 
                 −14.489 
                 1.00 
                 36.98 
               
               
                 ATOM 
                 165 
                 CB 
                 PRO 
                 694 
                 33.571 
                 0.601 
                 −15.265 
                 1.00 
                 37.17 
               
               
                 ATOM 
                 166 
                 CG 
                 PRO 
                 694 
                 34.432 
                 1.271 
                 −16.234 
                 1.00 
                 38.48 
               
               
                 ATOM 
                 167 
                 C 
                 PRO 
                 694 
                 32.575 
                 1.304 
                 −13.109 
                 1.00 
                 35.56 
               
               
                 ATOM 
                 168 
                 O 
                 PRO 
                 694 
                 33.411 
                 1.198 
                 −12.204 
                 1.00 
                 35.44 
               
               
                 ATOM 
                 169 
                 N 
                 ASP 
                 695 
                 31.289 
                 1.022 
                 −12.958 
                 1.00 
                 34.27 
               
               
                 ATOM 
                 170 
                 CA 
                 ASP 
                 695 
                 30.776 
                 0.534 
                 −11.698 
                 1.00 
                 32.38 
               
               
                 ATOM 
                 171 
                 CB 
                 ASP 
                 695 
                 29.251 
                 0.518 
                 −11.694 
                 1.00 
                 29.77 
               
               
                 ATOM 
                 172 
                 CG 
                 ASP 
                 695 
                 28.660 
                 1.901 
                 −11.608 
                 1.00 
                 28.80 
               
               
                 ATOM 
                 173 
                 OD1 
                 ASP 
                 695 
                 27.532 
                 2.100 
                 −12.089 
                 1.00 
                 27.09 
               
               
                 ATOM 
                 174 
                 OD2 
                 ASP 
                 695 
                 29.329 
                 2.794 
                 −11.057 
                 1.00 
                 28.72 
               
               
                 ATOM 
                 175 
                 C 
                 ASP 
                 695 
                 31.318 
                 −0.868 
                 −11.524 
                 1.00 
                 32.55 
               
               
                 ATOM 
                 176 
                 O 
                 ASP 
                 695 
                 31.237 
                 −1.707 
                 −12.429 
                 1.00 
                 33.50 
               
               
                 ATOM 
                 177 
                 N 
                 SER 
                 696 
                 32.025 
                 −1.052 
                 −10.424 
                 1.00 
                 31.71 
               
               
                 ATOM 
                 178 
                 CA 
                 SER 
                 696 
                 32.577 
                 −2.333 
                 −10.077 
                 1.00 
                 30.42 
               
               
                 ATOM 
                 179 
                 CB 
                 SER 
                 696 
                 34.064 
                 −2.383 
                 −10.425 
                 1.00 
                 30.43 
               
               
                 ATOM 
                 180 
                 OG 
                 SER 
                 696 
                 34.854 
                 −1.589 
                 −9.567 
                 1.00 
                 31.47 
               
               
                 ATOM 
                 181 
                 C 
                 SER 
                 696 
                 32.340 
                 −2.445 
                 −8.577 
                 1.00 
                 30.15 
               
               
                 ATOM 
                 182 
                 O 
                 SER 
                 696 
                 32.275 
                 −1.418 
                 −7.885 
                 1.00 
                 30.10 
               
               
                 ATOM 
                 183 
                 N 
                 PHE 
                 697 
                 32.104 
                 −3.669 
                 −8.099 
                 1.00 
                 28.48 
               
               
                 ATOM 
                 184 
                 CA 
                 PHE 
                 697 
                 31.890 
                 −3.933 
                 −6.679 
                 1.00 
                 26.74 
               
               
                 ATOM 
                 185 
                 CB 
                 PHE 
                 697 
                 31.982 
                 −5.442 
                 −6.423 
                 1.00 
                 25.46 
               
               
                 ATOM 
                 186 
                 CG 
                 PHE 
                 697 
                 31.781 
                 −5.827 
                 −4.989 
                 1.00 
                 24.31 
               
               
                 ATOM 
                 187 
                 CD1 
                 PHE 
                 697 
                 30.536 
                 −5.722 
                 −4.398 
                 1.00 
                 24.48 
               
               
                 ATOM 
                 188 
                 CD2 
                 PHE 
                 697 
                 32.845 
                 −6.281 
                 −4.220 
                 1.00 
                 24.78 
               
               
                 ATOM 
                 189 
                 CE1 
                 PHE 
                 697 
                 30.344 
                 −6.063 
                 −3.071 
                 1.00 
                 24.65 
               
               
                 ATOM 
                 190 
                 CE2 
                 PHE 
                 697 
                 32.659 
                 −6.626 
                 −2.886 
                 1.00 
                 24.77 
               
               
                 ATOM 
                 191 
                 CZ 
                 PHE 
                 697 
                 31.406 
                 −6.512 
                 −2.315 
                 1.00 
                 24.30 
               
               
                 ATOM 
                 192 
                 C 
                 PHE 
                 697 
                 32.956 
                 −3.205 
                 −5.846 
                 1.00 
                 26.76 
               
               
                 ATOM 
                 193 
                 O 
                 PHE 
                 697 
                 32.641 
                 −2.393 
                 −4.972 
                 1.00 
                 27.12 
               
               
                 ATOM 
                 194 
                 N 
                 ALA 
                 698 
                 34.219 
                 −3.495 
                 −6.140 
                 1.00 
                 25.86 
               
               
                 ATOM 
                 195 
                 CA 
                 ALA 
                 698 
                 35.351 
                 −2.911 
                 −5.436 
                 1.00 
                 24.97 
               
               
                 ATOM 
                 196 
                 CB 
                 ALA 
                 698 
                 36.596 
                 −3.305 
                 −6.131 
                 1.00 
                 25.52 
               
               
                 ATOM 
                 197 
                 C 
                 ALA 
                 698 
                 35.323 
                 −1.402 
                 −5.300 
                 1.00 
                 25.24 
               
               
                 ATOM 
                 198 
                 O 
                 ALA 
                 698 
                 35.559 
                 −0.852 
                 −4.216 
                 1.00 
                 24.99 
               
               
                 ATOM 
                 199 
                 N 
                 ALA 
                 699 
                 35.029 
                 −0.737 
                 −6.414 
                 1.00 
                 25.11 
               
               
                 ATOM 
                 200 
                 CA 
                 ALA 
                 699 
                 35.001 
                 0.717 
                 −6.490 
                 1.00 
                 23.76 
               
               
                 ATOM 
                 201 
                 CB 
                 ALA 
                 699 
                 34.845 
                 1.156 
                 −7.943 
                 1.00 
                 24.31 
               
               
                 ATOM 
                 202 
                 C 
                 ALA 
                 699 
                 33.873 
                 1.281 
                 −5.668 
                 1.00 
                 22.91 
               
               
                 ATOM 
                 203 
                 O 
                 ALA 
                 699 
                 34.084 
                 2.133 
                 −4.795 
                 1.00 
                 22.51 
               
               
                 ATOM 
                 204 
                 N 
                 LEU 
                 700 
                 32.682 
                 0.770 
                 −5.957 
                 1.00 
                 21.56 
               
               
                 ATOM 
                 205 
                 CA 
                 LEU 
                 700 
                 31.440 
                 1.185 
                 −5.314 
                 1.00 
                 20.84 
               
               
                 ATOM 
                 206 
                 CB 
                 LEU 
                 700 
                 30.274 
                 0.397 
                 −5.937 
                 1.00 
                 19.59 
               
               
                 ATOM 
                 207 
                 CG 
                 LEU 
                 700 
                 29.249 
                 0.984 
                 −6.911 
                 1.00 
                 18.78 
               
               
                 ATOM 
                 208 
                 CD1 
                 LEU 
                 700 
                 29.727 
                 2.269 
                 −7.529 
                 1.00 
                 18.69 
               
               
                 ATOM 
                 209 
                 CD2 
                 LEU 
                 700 
                 28.952 
                 −0.015 
                 −7.957 
                 1.00 
                 17.10 
               
               
                 ATOM 
                 210 
                 C 
                 LEU 
                 700 
                 31.456 
                 0.977 
                 −3.793 
                 1.00 
                 20.77 
               
               
                 ATOM 
                 211 
                 O 
                 LEU 
                 700 
                 30.891 
                 1.765 
                 −3.035 
                 1.00 
                 19.67 
               
               
                 ATOM 
                 212 
                 N 
                 LEU 
                 701 
                 32.103 
                 −0.093 
                 −3.350 
                 1.00 
                 20.77 
               
               
                 ATOM 
                 213 
                 CA 
                 LEU 
                 701 
                 32.147 
                 −0.367 
                 −1.941 
                 1.00 
                 20.58 
               
               
                 ATOM 
                 214 
                 CB 
                 LEU 
                 701 
                 32.099 
                 −1.871 
                 −1.670 
                 1.00 
                 19.52 
               
               
                 ATOM 
                 215 
                 CG 
                 LEU 
                 701 
                 30.582 
                 −2.050 
                 −1.567 
                 1.00 
                 19.40 
               
               
                 ATOM 
                 216 
                 CD1 
                 LEU 
                 701 
                 30.046 
                 −2.911 
                 −2.642 
                 1.00 
                 17.73 
               
               
                 ATOM 
                 217 
                 CD2 
                 LEU 
                 701 
                 30.173 
                 −2.510 
                 −0.217 
                 1.00 
                 17.25 
               
               
                 ATOM 
                 218 
                 C 
                 LEU 
                 701 
                 33.261 
                 0.365 
                 −1.241 
                 1.00 
                 20.86 
               
               
                 ATOM 
                 219 
                 O 
                 LEU 
                 701 
                 33.126 
                 0.734 
                 −0.088 
                 1.00 
                 21.69 
               
               
                 ATOM 
                 220 
                 N 
                 SER 
                 702 
                 34.356 
                 0.615 
                 −1.937 
                 1.00 
                 21.06 
               
               
                 ATOM 
                 221 
                 CA 
                 SER 
                 702 
                 35.406 
                 1.378 
                 −1.316 
                 1.00 
                 20.96 
               
               
                 ATOM 
                 222 
                 CB 
                 SER 
                 702 
                 36.632 
                 1.400 
                 −2.190 
                 1.00 
                 21.52 
               
               
                 ATOM 
                 223 
                 OG 
                 SER 
                 702 
                 37.204 
                 0.120 
                 −2.175 
                 1.00 
                 23.71 
               
               
                 ATOM 
                 224 
                 C 
                 SER 
                 702 
                 34.874 
                 2.791 
                 −1.105 
                 1.00 
                 20.81 
               
               
                 ATOM 
                 225 
                 O 
                 SER 
                 702 
                 35.187 
                 3.423 
                 −0.103 
                 1.00 
                 20.82 
               
               
                 ATOM 
                 226 
                 N 
                 SER 
                 703 
                 34.023 
                 3.250 
                 −2.028 
                 1.00 
                 20.55 
               
               
                 ATOM 
                 227 
                 CA 
                 SER 
                 703 
                 33.443 
                 4.585 
                 −1.934 
                 1.00 
                 18.91 
               
               
                 ATOM 
                 228 
                 CB 
                 SER 
                 703 
                 32.755 
                 4.966 
                 −3.224 
                 1.00 
                 18.44 
               
               
                 ATOM 
                 229 
                 OG 
                 SER 
                 703 
                 33.748 
                 5.182 
                 −4.194 
                 1.00 
                 20.63 
               
               
                 ATOM 
                 230 
                 C 
                 SER 
                 703 
                 32.470 
                 4.678 
                 −0.793 
                 1.00 
                 18.35 
               
               
                 ATOM 
                 231 
                 O 
                 SER 
                 703 
                 32.520 
                 5.625 
                 −0.025 
                 1.00 
                 18.89 
               
               
                 ATOM 
                 232 
                 N 
                 LEU 
                 704 
                 31.596 
                 3.684 
                 −0.662 
                 1.00 
                 17.26 
               
               
                 ATOM 
                 233 
                 CA 
                 LEU 
                 704 
                 30.639 
                 3.687 
                 0.432 
                 1.00 
                 16.37 
               
               
                 ATOM 
                 234 
                 CB 
                 LEU 
                 704 
                 29.691 
                 2.497 
                 0.342 
                 1.00 
                 15.19 
               
               
                 ATOM 
                 235 
                 CG 
                 LEU 
                 704 
                 28.558 
                 2.583 
                 −0.660 
                 1.00 
                 14.03 
               
               
                 ATOM 
                 236 
                 CD1 
                 LEU 
                 704 
                 27.882 
                 1.259 
                 −0.748 
                 1.00 
                 12.28 
               
               
                 ATOM 
                 237 
                 CD2 
                 LEU 
                 704 
                 27.582 
                 3.681 
                 −0.235 
                 1.00 
                 14.48 
               
               
                 ATOM 
                 238 
                 C 
                 LEU 
                 704 
                 31.366 
                 3.678 
                 1.761 
                 1.00 
                 16.10 
               
               
                 ATOM 
                 239 
                 O 
                 LEU 
                 704 
                 30.925 
                 4.340 
                 2.696 
                 1.00 
                 16.81 
               
               
                 ATOM 
                 240 
                 N 
                 ASN 
                 705 
                 32.495 
                 2.961 
                 1.829 
                 1.00 
                 16.70 
               
               
                 ATOM 
                 241 
                 CA 
                 ASN 
                 705 
                 33.307 
                 2.863 
                 3.049 
                 1.00 
                 16.66 
               
               
                 ATOM 
                 242 
                 CB 
                 ASN 
                 705 
                 34.398 
                 1.794 
                 2.924 
                 1.00 
                 15.46 
               
               
                 ATOM 
                 243 
                 CG 
                 ASN 
                 705 
                 33.850 
                 0.384 
                 2.941 
                 1.00 
                 16.24 
               
               
                 ATOM 
                 244 
                 OD1 
                 ASN 
                 705 
                 34.448 
                 −0.512 
                 2.385 
                 1.00 
                 16.82 
               
               
                 ATOM 
                 245 
                 ND2 
                 ASN 
                 705 
                 32.726 
                 0.180 
                 3.592 
                 1.00 
                 16.07 
               
               
                 ATOM 
                 246 
                 C 
                 ASN 
                 705 
                 33.955 
                 4.201 
                 3.410 
                 1.00 
                 17.17 
               
               
                 ATOM 
                 247 
                 O 
                 ASN 
                 705 
                 33.970 
                 4.587 
                 4.570 
                 1.00 
                 17.46 
               
               
                 ATOM 
                 248 
                 N 
                 GLU 
                 706 
                 34.512 
                 4.882 
                 2.415 
                 1.00 
                 17.04 
               
               
                 ATOM 
                 249 
                 CA 
                 GLU 
                 706 
                 35.151 
                 6.193 
                 2.598 
                 1.00 
                 17.55 
               
               
                 ATOM 
                 250 
                 CB 
                 GLU 
                 706 
                 35.739 
                 6.668 
                 1.258 
                 1.00 
                 18.93 
               
               
                 ATOM 
                 251 
                 CG 
                 GLU 
                 706 
                 36.394 
                 8.029 
                 1.282 
                 1.00 
                 21.19 
               
               
                 ATOM 
                 252 
                 CD 
                 GLU 
                 706 
                 37.488 
                 8.146 
                 2.347 
                 1.00 
                 23.68 
               
               
                 ATOM 
                 253 
                 OE1 
                 GLU 
                 706 
                 37.586 
                 9.225 
                 2.978 
                 1.00 
                 25.14 
               
               
                 ATOM 
                 254 
                 OE2 
                 GLU 
                 706 
                 38.246 
                 7.175 
                 2.569 
                 1.00 
                 24.37 
               
               
                 ATOM 
                 255 
                 C 
                 GLU 
                 706 
                 34.089 
                 7.180 
                 3.069 
                 1.00 
                 16.10 
               
               
                 ATOM 
                 256 
                 O 
                 GLU 
                 706 
                 34.313 
                 8.023 
                 3.950 
                 1.00 
                 16.62 
               
               
                 ATOM 
                 257 
                 N 
                 LEU 
                 707 
                 32.927 
                 7.076 
                 2.445 
                 1.00 
                 15.13 
               
               
                 ATOM 
                 258 
                 CA 
                 LEU 
                 707 
                 31.803 
                 7.916 
                 2.792 
                 1.00 
                 14.21 
               
               
                 ATOM 
                 259 
                 CB 
                 LEU 
                 707 
                 30.604 
                 7.579 
                 1.925 
                 1.00 
                 12.85 
               
               
                 ATOM 
                 260 
                 CG 
                 LEU 
                 707 
                 29.318 
                 8.262 
                 2.328 
                 1.00 
                 12.03 
               
               
                 ATOM 
                 261 
                 CD1 
                 LEU 
                 707 
                 29.537 
                 9.745 
                 2.280 
                 1.00 
                 13.09 
               
               
                 ATOM 
                 262 
                 CD2 
                 LEU 
                 707 
                 28.252 
                 7.889 
                 1.374 
                 1.00 
                 12.74 
               
               
                 ATOM 
                 263 
                 C 
                 LEU 
                 707 
                 31.461 
                 7.634 
                 4.228 
                 1.00 
                 14.91 
               
               
                 ATOM 
                 264 
                 O 
                 LEU 
                 707 
                 31.121 
                 8.557 
                 4.980 
                 1.00 
                 15.85 
               
               
                 ATOM 
                 265 
                 N 
                 GLY 
                 708 
                 31.532 
                 6.358 
                 4.602 
                 1.00 
                 13.93 
               
               
                 ATOM 
                 266 
                 CA 
                 GLY 
                 708 
                 31.230 
                 5.976 
                 5.965 
                 1.00 
                 12.96 
               
               
                 ATOM 
                 267 
                 C 
                 GLY 
                 708 
                 32.213 
                 6.620 
                 6.917 
                 1.00 
                 13.13 
               
               
                 ATOM 
                 268 
                 O 
                 GLY 
                 708 
                 31.849 
                 7.061 
                 7.987 
                 1.00 
                 13.55 
               
               
                 ATOM 
                 269 
                 N 
                 GLU 
                 709 
                 33.468 
                 6.687 
                 6.514 
                 1.00 
                 14.14 
               
               
                 ATOM 
                 270 
                 CA 
                 GLU 
                 709 
                 34.525 
                 7.279 
                 7.322 
                 1.00 
                 15.83 
               
               
                 ATOM 
                 271 
                 CB 
                 GLU 
                 709 
                 35.874 
                 7.046 
                 6.658 
                 1.00 
                 16.73 
               
               
                 ATOM 
                 272 
                 CG 
                 GLU 
                 709 
                 37.051 
                 7.547 
                 7.446 
                 1.00 
                 18.68 
               
               
                 ATOM 
                 273 
                 CD 
                 GLU 
                 709 
                 37.573 
                 6.514 
                 8.401 
                 1.00 
                 21.63 
               
               
                 ATOM 
                 274 
                 OE1 
                 GLU 
                 709 
                 36.766 
                 5.660 
                 8.826 
                 1.00 
                 23.39 
               
               
                 ATOM 
                 275 
                 OE2 
                 GLU 
                 709 
                 38.784 
                 6.544 
                 8.723 
                 1.00 
                 23.17 
               
               
                 ATOM 
                 276 
                 C 
                 GLU 
                 709 
                 34.334 
                 8.775 
                 7.486 
                 1.00 
                 16.65 
               
               
                 ATOM 
                 277 
                 O 
                 GLU 
                 709 
                 34.628 
                 9.317 
                 8.563 
                 1.00 
                 17.59 
               
               
                 ATOM 
                 278 
                 N 
                 ARG 
                 710 
                 33.845 
                 9.427 
                 6.428 
                 1.00 
                 16.70 
               
               
                 ATOM 
                 279 
                 CA 
                 ARG 
                 710 
                 33.616 
                 10.869 
                 6.418 
                 1.00 
                 17.32 
               
               
                 ATOM 
                 280 
                 CB 
                 ARG 
                 710 
                 33.459 
                 11.346 
                 4.990 
                 1.00 
                 16.07 
               
               
                 ATOM 
                 281 
                 CG 
                 ARG 
                 710 
                 34.659 
                 11.098 
                 4.137 
                 1.00 
                 16.18 
               
               
                 ATOM 
                 282 
                 CD 
                 ARG 
                 710 
                 34.329 
                 11.498 
                 2.706 
                 1.00 
                 16.39 
               
               
                 ATOM 
                 283 
                 NE 
                 ARG 
                 710 
                 35.512 
                 11.535 
                 1.850 
                 1.00 
                 15.28 
               
               
                 ATOM 
                 284 
                 CZ 
                 ARG 
                 710 
                 35.587 
                 12.246 
                 0.733 
                 1.00 
                 15.30 
               
               
                 ATOM 
                 285 
                 NH1 
                 ARG 
                 710 
                 34.550 
                 12.975 
                 0.357 
                 1.00 
                 14.96 
               
               
                 ATOM 
                 286 
                 NH2 
                 ARG 
                 710 
                 36.691 
                 12.242 
                 0.001 
                 1.00 
                 14.89 
               
               
                 ATOM 
                 287 
                 C 
                 ARG 
                 710 
                 32.376 
                 11.230 
                 7.218 
                 1.00 
                 17.85 
               
               
                 ATOM 
                 288 
                 O 
                 ARG 
                 710 
                 32.379 
                 12.156 
                 8.034 
                 1.00 
                 17.75 
               
               
                 ATOM 
                 289 
                 N 
                 GLN 
                 711 
                 31.291 
                 10.516 
                 6.955 
                 1.00 
                 18.71 
               
               
                 ATOM 
                 290 
                 CA 
                 GLN 
                 711 
                 30.067 
                 10.745 
                 7.697 
                 1.00 
                 19.38 
               
               
                 ATOM 
                 291 
                 CB 
                 GLN 
                 711 
                 28.908 
                 9.938 
                 7.127 
                 1.00 
                 19.79 
               
               
                 ATOM 
                 292 
                 CG 
                 GLN 
                 711 
                 28.377 
                 10.566 
                 5.878 
                 1.00 
                 22.36 
               
               
                 ATOM 
                 293 
                 CD 
                 GLN 
                 711 
                 27.058 
                 10.010 
                 5.446 
                 1.00 
                 23.37 
               
               
                 ATOM 
                 294 
                 OE1 
                 GLN 
                 711 
                 26.758 
                 9.932 
                 4.244 
                 1.00 
                 25.35 
               
               
                 ATOM 
                 295 
                 NE2 
                 GLN 
                 711 
                 26.228 
                 9.677 
                 6.410 
                 1.00 
                 24.52 
               
               
                 ATOM 
                 296 
                 C 
                 GLN 
                 711 
                 30.209 
                 10.494 
                 9.188 
                 1.00 
                 19.48 
               
               
                 ATOM 
                 297 
                 O 
                 GLN 
                 711 
                 29.564 
                 11.183 
                 9.985 
                 1.00 
                 19.57 
               
               
                 ATOM 
                 298 
                 N 
                 LEU 
                 712 
                 31.043 
                 9.529 
                 9.571 
                 1.00 
                 18.76 
               
               
                 ATOM 
                 299 
                 CA 
                 LEU 
                 712 
                 31.259 
                 9.227 
                 10.984 
                 1.00 
                 19.20 
               
               
                 ATOM 
                 300 
                 CB 
                 LEU 
                 712 
                 32.163 
                 8.008 
                 11.157 
                 1.00 
                 20.55 
               
               
                 ATOM 
                 301 
                 CG 
                 LEU 
                 712 
                 32.522 
                 7.607 
                 12.590 
                 1.00 
                 21.95 
               
               
                 ATOM 
                 302 
                 CD1 
                 LEU 
                 712 
                 31.288 
                 7.641 
                 13.484 
                 1.00 
                 23.43 
               
               
                 ATOM 
                 303 
                 CD2 
                 LEU 
                 712 
                 33.132 
                 6.223 
                 12.586 
                 1.00 
                 22.57 
               
               
                 ATOM 
                 304 
                 C 
                 LEU 
                 712 
                 31.876 
                 10.428 
                 11.704 
                 1.00 
                 19.23 
               
               
                 ATOM 
                 305 
                 O 
                 LEU 
                 712 
                 31.507 
                 10.743 
                 12.834 
                 1.00 
                 17.65 
               
               
                 ATOM 
                 306 
                 N 
                 VAL 
                 713 
                 32.809 
                 11.099 
                 11.039 
                 1.00 
                 19.70 
               
               
                 ATOM 
                 307 
                 CA 
                 VAL 
                 713 
                 33.427 
                 12.270 
                 11.619 
                 1.00 
                 19.68 
               
               
                 ATOM 
                 308 
                 CB 
                 VAL 
                 713 
                 34.453 
                 12.859 
                 10.658 
                 1.00 
                 20.01 
               
               
                 ATOM 
                 309 
                 CG1 
                 VAL 
                 713 
                 34.722 
                 14.292 
                 11.001 
                 1.00 
                 21.16 
               
               
                 ATOM 
                 310 
                 CG2 
                 VAL 
                 713 
                 35.750 
                 12.069 
                 10.750 
                 1.00 
                 20.06 
               
               
                 ATOM 
                 311 
                 C 
                 VAL 
                 713 
                 32.328 
                 13.277 
                 11.990 
                 1.00 
                 19.53 
               
               
                 ATOM 
                 312 
                 O 
                 VAL 
                 713 
                 32.325 
                 13.802 
                 13.086 
                 1.00 
                 20.00 
               
               
                 ATOM 
                 313 
                 N 
                 HIS 
                 714 
                 31.330 
                 13.434 
                 11.128 
                 1.00 
                 19.20 
               
               
                 ATOM 
                 314 
                 CA 
                 HIS 
                 714 
                 30.215 
                 14.356 
                 11.358 
                 1.00 
                 19.47 
               
               
                 ATOM 
                 315 
                 CB 
                 HIS 
                 714 
                 29.498 
                 14.658 
                 10.038 
                 1.00 
                 20.77 
               
               
                 ATOM 
                 316 
                 CG 
                 HIS 
                 714 
                 30.331 
                 15.410 
                 9.058 
                 1.00 
                 21.60 
               
               
                 ATOM 
                 317 
                 CD2 
                 HIS 
                 714 
                 31.369 
                 15.016 
                 8.283 
                 1.00 
                 22.31 
               
               
                 ATOM 
                 318 
                 ND1 
                 HIS 
                 714 
                 30.131 
                 16.744 
                 8.784 
                 1.00 
                 22.32 
               
               
                 ATOM 
                 319 
                 CE1 
                 HIS 
                 714 
                 31.005 
                 17.139 
                 7.876 
                 1.00 
                 23.41 
               
               
                 ATOM 
                 320 
                 NE2 
                 HIS 
                 714 
                 31.768 
                 16.113 
                 7.557 
                 1.00 
                 23.22 
               
               
                 ATOM 
                 321 
                 C 
                 HIS 
                 714 
                 29.183 
                 13.885 
                 12.383 
                 1.00 
                 18.83 
               
               
                 ATOM 
                 322 
                 O 
                 HIS 
                 714 
                 28.497 
                 14.701 
                 13.005 
                 1.00 
                 18.73 
               
               
                 ATOM 
                 323 
                 N 
                 VAL 
                 715 
                 29.006 
                 12.572 
                 12.485 
                 1.00 
                 18.39 
               
               
                 ATOM 
                 324 
                 CA 
                 VAL 
                 715 
                 28.063 
                 11.972 
                 13.434 
                 1.00 
                 16.86 
               
               
                 ATOM 
                 325 
                 CB 
                 VAL 
                 715 
                 27.869 
                 10.435 
                 13.134 
                 1.00 
                 16.78 
               
               
                 ATOM 
                 326 
                 CG1 
                 VAL 
                 715 
                 27.037 
                 9.756 
                 14.197 
                 1.00 
                 17.10 
               
               
                 ATOM 
                 327 
                 CG2 
                 VAL 
                 715 
                 27.183 
                 10.259 
                 11.817 
                 1.00 
                 17.34 
               
               
                 ATOM 
                 328 
                 C 
                 VAL 
                 715 
                 28.667 
                 12.166 
                 14.817 
                 1.00 
                 15.60 
               
               
                 ATOM 
                 329 
                 O 
                 VAL 
                 715 
                 27.958 
                 12.422 
                 15.788 
                 1.00 
                 15.49 
               
               
                 ATOM 
                 330 
                 N 
                 VAL 
                 716 
                 29.986 
                 12.077 
                 14.913 
                 1.00 
                 15.13 
               
               
                 ATOM 
                 331 
                 CA 
                 VAL 
                 716 
                 30.622 
                 12.250 
                 16.205 
                 1.00 
                 15.01 
               
               
                 ATOM 
                 332 
                 CB 
                 VAL 
                 716 
                 32.136 
                 11.885 
                 16.158 
                 1.00 
                 14.93 
               
               
                 ATOM 
                 333 
                 CG1 
                 VAL 
                 716 
                 32.825 
                 12.233 
                 17.481 
                 1.00 
                 13.26 
               
               
                 ATOM 
                 334 
                 CG2 
                 VAL 
                 716 
                 32.310 
                 10.373 
                 15.870 
                 1.00 
                 14.26 
               
               
                 ATOM 
                 335 
                 C 
                 VAL 
                 716 
                 30.419 
                 13.681 
                 16.708 
                 1.00 
                 15.83 
               
               
                 ATOM 
                 336 
                 O 
                 VAL 
                 716 
                 30.129 
                 13.883 
                 17.887 
                 1.00 
                 16.61 
               
               
                 ATOM 
                 337 
                 N 
                 LYS 
                 717 
                 30.544 
                 14.665 
                 15.816 
                 1.00 
                 16.59 
               
               
                 ATOM 
                 338 
                 CA 
                 LYS 
                 717 
                 30.390 
                 16.082 
                 16.183 
                 1.00 
                 17.20 
               
               
                 ATOM 
                 339 
                 CB 
                 LYS 
                 717 
                 30.884 
                 16.974 
                 15.041 
                 1.00 
                 18.94 
               
               
                 ATOM 
                 340 
                 CG 
                 LYS 
                 717 
                 32.361 
                 16.747 
                 14.698 
                 1.00 
                 22.56 
               
               
                 ATOM 
                 341 
                 CD 
                 LYS 
                 717 
                 33.245 
                 16.752 
                 15.978 
                 1.00 
                 25.34 
               
               
                 ATOM 
                 342 
                 CE 
                 LYS 
                 717 
                 34.294 
                 15.609 
                 16.007 
                 1.00 
                 27.06 
               
               
                 ATOM 
                 343 
                 NZ 
                 LYS 
                 717 
                 34.709 
                 15.195 
                 17.410 
                 1.00 
                 27.21 
               
               
                 ATOM 
                 344 
                 C 
                 LYS 
                 717 
                 28.951 
                 16.387 
                 16.534 
                 1.00 
                 16.77 
               
               
                 ATOM 
                 345 
                 O 
                 LYS 
                 717 
                 28.658 
                 16.931 
                 17.593 
                 1.00 
                 18.49 
               
               
                 ATOM 
                 346 
                 N 
                 TRP 
                 718 
                 28.049 
                 15.976 
                 15.659 
                 1.00 
                 15.68 
               
               
                 ATOM 
                 347 
                 CA 
                 TRP 
                 718 
                 26.618 
                 16.143 
                 15.868 
                 1.00 
                 14.61 
               
               
                 ATOM 
                 348 
                 CB 
                 TRP 
                 718 
                 25.889 
                 15.442 
                 14.689 
                 1.00 
                 11.97 
               
               
                 ATOM 
                 349 
                 CG 
                 TRP 
                 718 
                 24.433 
                 15.266 
                 14.841 
                 1.00 
                 9.66 
               
               
                 ATOM 
                 350 
                 CD2 
                 TRP 
                 718 
                 23.757 
                 14.069 
                 15.254 
                 1.00 
                 10.28 
               
               
                 ATOM 
                 351 
                 CE2 
                 TRP 
                 718 
                 22.373 
                 14.371 
                 15.293 
                 1.00 
                 9.98 
               
               
                 ATOM 
                 352 
                 CE3 
                 TRP 
                 718 
                 24.176 
                 12.778 
                 15.612 
                 1.00 
                 10.09 
               
               
                 ATOM 
                 353 
                 CD1 
                 TRP 
                 718 
                 23.472 
                 16.199 
                 14.645 
                 1.00 
                 9.89 
               
               
                 ATOM 
                 354 
                 NE1 
                 TRP 
                 718 
                 22.228 
                 15.688 
                 14.918 
                 1.00 
                 8.38 
               
               
                 ATOM 
                 355 
                 CZ2 
                 TRP 
                 718 
                 21.394 
                 13.419 
                 15.663 
                 1.00 
                 9.00 
               
               
                 ATOM 
                 356 
                 CZ3 
                 TRP 
                 718 
                 23.201 
                 11.835 
                 15.980 
                 1.00 
                 8.20 
               
               
                 ATOM 
                 357 
                 CH2 
                 TRP 
                 718 
                 21.835 
                 12.171 
                 16.004 
                 1.00 
                 7.32 
               
               
                 ATOM 
                 358 
                 C 
                 TRP 
                 718 
                 26.200 
                 15.562 
                 17.261 
                 1.00 
                 15.34 
               
               
                 ATOM 
                 359 
                 O 
                 TRP 
                 718 
                 25.659 
                 16.269 
                 18.124 
                 1.00 
                 14.55 
               
               
                 ATOM 
                 360 
                 N 
                 ALA 
                 719 
                 26.468 
                 14.272 
                 17.464 
                 1.00 
                 16.10 
               
               
                 ATOM 
                 361 
                 CA 
                 ALA 
                 719 
                 26.143 
                 13.559 
                 18.683 
                 1.00 
                 15.03 
               
               
                 ATOM 
                 362 
                 CB 
                 ALA 
                 719 
                 26.796 
                 12.184 
                 18.657 
                 1.00 
                 13.59 
               
               
                 ATOM 
                 363 
                 C 
                 ALA 
                 719 
                 26.623 
                 14.346 
                 19.881 
                 1.00 
                 15.62 
               
               
                 ATOM 
                 364 
                 O 
                 ALA 
                 719 
                 25.857 
                 14.646 
                 20.785 
                 1.00 
                 15.85 
               
               
                 ATOM 
                 365 
                 N 
                 LYS 
                 720 
                 27.870 
                 14.781 
                 19.828 
                 1.00 
                 17.45 
               
               
                 ATOM 
                 366 
                 CA 
                 LYS 
                 720 
                 28.463 
                 15.516 
                 20.924 
                 1.00 
                 18.63 
               
               
                 ATOM 
                 367 
                 CB 
                 LYS 
                 720 
                 29.970 
                 15.625 
                 20.715 
                 1.00 
                 19.81 
               
               
                 ATOM 
                 368 
                 CG 
                 LYS 
                 720 
                 30.644 
                 14.292 
                 21.012 
                 1.00 
                 21.18 
               
               
                 ATOM 
                 369 
                 CD 
                 LYS 
                 720 
                 32.136 
                 14.334 
                 20.860 
                 1.00 
                 23.81 
               
               
                 ATOM 
                 370 
                 CE 
                 LYS 
                 720 
                 32.762 
                 12.975 
                 21.244 
                 1.00 
                 25.84 
               
               
                 ATOM 
                 371 
                 NZ 
                 LYS 
                 720 
                 32.729 
                 12.661 
                 22.708 
                 1.00 
                 26.70 
               
               
                 ATOM 
                 372 
                 C 
                 LYS 
                 720 
                 27.822 
                 16.860 
                 21.204 
                 1.00 
                 18.98 
               
               
                 ATOM 
                 373 
                 O 
                 LYS 
                 720 
                 27.921 
                 17.377 
                 22.321 
                 1.00 
                 19.86 
               
               
                 ATOM 
                 374 
                 N 
                 ALA 
                 721 
                 27.070 
                 17.369 
                 20.238 
                 1.00 
                 18.21 
               
               
                 ATOM 
                 375 
                 CA 
                 ALA 
                 721 
                 26.406 
                 18.651 
                 20.382 
                 1.00 
                 18.10 
               
               
                 ATOM 
                 376 
                 CB 
                 ALA 
                 721 
                 26.584 
                 19.461 
                 19.146 
                 1.00 
                 17.43 
               
               
                 ATOM 
                 377 
                 C 
                 ALA 
                 721 
                 24.941 
                 18.492 
                 20.675 
                 1.00 
                 18.80 
               
               
                 ATOM 
                 378 
                 O 
                 ALA 
                 721 
                 24.192 
                 19.485 
                 20.660 
                 1.00 
                 19.16 
               
               
                 ATOM 
                 379 
                 N 
                 LEU 
                 722 
                 24.518 
                 17.247 
                 20.904 
                 1.00 
                 19.00 
               
               
                 ATOM 
                 380 
                 CA 
                 LEU 
                 722 
                 23.119 
                 16.912 
                 21.207 
                 1.00 
                 19.60 
               
               
                 ATOM 
                 381 
                 CB 
                 LEU 
                 722 
                 22.955 
                 15.395 
                 21.119 
                 1.00 
                 19.45 
               
               
                 ATOM 
                 382 
                 CG 
                 LEU 
                 722 
                 21.855 
                 14.771 
                 20.271 
                 1.00 
                 19.62 
               
               
                 ATOM 
                 383 
                 CD1 
                 LEU 
                 722 
                 21.540 
                 15.657 
                 19.099 
                 1.00 
                 17.02 
               
               
                 ATOM 
                 384 
                 CD2 
                 LEU 
                 722 
                 22.298 
                 13.382 
                 19.815 
                 1.00 
                 17.38 
               
               
                 ATOM 
                 385 
                 C 
                 LEU 
                 722 
                 22.754 
                 17.362 
                 22.616 
                 1.00 
                 20.27 
               
               
                 ATOM 
                 386 
                 O 
                 LEU 
                 722 
                 23.521 
                 17.125 
                 23.549 
                 1.00 
                 21.72 
               
               
                 ATOM 
                 387 
                 N 
                 PRO 
                 723 
                 21.574 
                 17.992 
                 22.811 
                 1.00 
                 20.69 
               
               
                 ATOM 
                 388 
                 CD 
                 PRO 
                 723 
                 20.500 
                 18.317 
                 21.861 
                 1.00 
                 20.29 
               
               
                 ATOM 
                 389 
                 CA 
                 PRO 
                 723 
                 21.211 
                 18.428 
                 24.167 
                 1.00 
                 21.24 
               
               
                 ATOM 
                 390 
                 CB 
                 PRO 
                 723 
                 19.767 
                 18.917 
                 23.997 
                 1.00 
                 20.40 
               
               
                 ATOM 
                 391 
                 CG 
                 PRO 
                 723 
                 19.706 
                 19.349 
                 22.624 
                 1.00 
                 20.05 
               
               
                 ATOM 
                 392 
                 C 
                 PRO 
                 723 
                 21.266 
                 17.287 
                 25.195 
                 1.00 
                 21.66 
               
               
                 ATOM 
                 393 
                 O 
                 PRO 
                 723 
                 20.821 
                 16.165 
                 24.935 
                 1.00 
                 21.14 
               
               
                 ATOM 
                 394 
                 N 
                 GLY 
                 724 
                 21.800 
                 17.588 
                 26.369 
                 1.00 
                 22.02 
               
               
                 ATOM 
                 395 
                 CA 
                 GLY 
                 724 
                 21.874 
                 16.598 
                 27.416 
                 1.00 
                 22.29 
               
               
                 ATOM 
                 396 
                 C 
                 GLY 
                 724 
                 22.838 
                 15.478 
                 27.132 
                 1.00 
                 23.13 
               
               
                 ATOM 
                 397 
                 O 
                 GLY 
                 724 
                 23.076 
                 14.658 
                 28.004 
                 1.00 
                 23.78 
               
               
                 ATOM 
                 398 
                 N 
                 PHE 
                 725 
                 23.434 
                 15.446 
                 25.946 
                 1.00 
                 24.14 
               
               
                 ATOM 
                 399 
                 CA 
                 PHE 
                 725 
                 24.360 
                 14.368 
                 25.610 
                 1.00 
                 24.24 
               
               
                 ATOM 
                 400 
                 CB 
                 PHE 
                 725 
                 24.915 
                 14.554 
                 24.214 
                 1.00 
                 23.59 
               
               
                 ATOM 
                 401 
                 CG 
                 PHE 
                 725 
                 25.648 
                 13.353 
                 23.703 
                 1.00 
                 23.80 
               
               
                 ATOM 
                 402 
                 CD1 
                 PHE 
                 725 
                 24.944 
                 12.239 
                 23.260 
                 1.00 
                 22.83 
               
               
                 ATOM 
                 403 
                 CD2 
                 PHE 
                 725 
                 27.046 
                 13.328 
                 23.675 
                 1.00 
                 22.40 
               
               
                 ATOM 
                 404 
                 CE1 
                 PHE 
                 725 
                 25.623 
                 11.130 
                 22.804 
                 1.00 
                 22.77 
               
               
                 ATOM 
                 405 
                 CE2 
                 PHE 
                 725 
                 27.731 
                 12.226 
                 23.221 
                 1.00 
                 21.05 
               
               
                 ATOM 
                 406 
                 CZ 
                 PHE 
                 725 
                 27.025 
                 11.123 
                 22.784 
                 1.00 
                 22.31 
               
               
                 ATOM 
                 407 
                 C 
                 PHE 
                 725 
                 25.505 
                 14.170 
                 26.582 
                 1.00 
                 24.85 
               
               
                 ATOM 
                 408 
                 O 
                 PHE 
                 725 
                 25.873 
                 13.028 
                 26.863 
                 1.00 
                 23.79 
               
               
                 ATOM 
                 409 
                 N 
                 ARG 
                 726 
                 26.083 
                 15.270 
                 27.070 
                 1.00 
                 25.97 
               
               
                 ATOM 
                 410 
                 CA 
                 ARG 
                 726 
                 27.207 
                 15.229 
                 28.033 
                 1.00 
                 27.63 
               
               
                 ATOM 
                 411 
                 CB 
                 ARG 
                 726 
                 27.831 
                 16.620 
                 28.204 
                 1.00 
                 29.27 
               
               
                 ATOM 
                 412 
                 CG 
                 ARG 
                 726 
                 28.622 
                 17.087 
                 26.995 
                 1.00 
                 31.68 
               
               
                 ATOM 
                 413 
                 CD 
                 ARG 
                 726 
                 29.759 
                 16.141 
                 26.727 
                 1.00 
                 34.22 
               
               
                 ATOM 
                 414 
                 NE 
                 ARG 
                 726 
                 30.657 
                 16.595 
                 25.670 
                 1.00 
                 37.18 
               
               
                 ATOM 
                 415 
                 CZ 
                 ARG 
                 726 
                 31.872 
                 16.090 
                 25.464 
                 1.00 
                 38.28 
               
               
                 ATOM 
                 416 
                 NH1 
                 ARG 
                 726 
                 32.635 
                 16.558 
                 24.486 
                 1.00 
                 39.44 
               
               
                 ATOM 
                 417 
                 NH2 
                 ARG 
                 726 
                 32.329 
                 15.109 
                 26.232 
                 1.00 
                 38.78 
               
               
                 ATOM 
                 418 
                 C 
                 ARG 
                 726 
                 26.902 
                 14.615 
                 29.423 
                 1.00 
                 27.24 
               
               
                 ATOM 
                 419 
                 O 
                 ARG 
                 726 
                 27.797 
                 14.449 
                 30.253 
                 1.00 
                 27.08 
               
               
                 ATOM 
                 420 
                 N 
                 ASN 
                 727 
                 25.632 
                 14.316 
                 29.683 
                 1.00 
                 27.15 
               
               
                 ATOM 
                 421 
                 CA 
                 ASN 
                 727 
                 25.244 
                 13.695 
                 30.938 
                 1.00 
                 26.29 
               
               
                 ATOM 
                 422 
                 CB 
                 ASN 
                 727 
                 23.717 
                 13.687 
                 31.115 
                 1.00 
                 25.46 
               
               
                 ATOM 
                 423 
                 CG 
                 ASN 
                 727 
                 23.118 
                 15.085 
                 31.195 
                 1.00 
                 24.95 
               
               
                 ATOM 
                 424 
                 OD1 
                 ASN 
                 727 
                 21.947 
                 15.277 
                 30.893 
                 1.00 
                 24.88 
               
               
                 ATOM 
                 425 
                 ND2 
                 ASN 
                 727 
                 23.909 
                 16.055 
                 31.628 
                 1.00 
                 24.54 
               
               
                 ATOM 
                 426 
                 C 
                 ASN 
                 727 
                 25.750 
                 12.261 
                 30.934 
                 1.00 
                 26.17 
               
               
                 ATOM 
                 427 
                 O 
                 ASN 
                 727 
                 25.992 
                 11.689 
                 31.994 
                 1.00 
                 27.30 
               
               
                 ATOM 
                 428 
                 N 
                 LEU 
                 728 
                 25.895 
                 11.673 
                 29.749 
                 1.00 
                 25.64 
               
               
                 ATOM 
                 429 
                 CA 
                 LEU 
                 728 
                 26.362 
                 10.289 
                 29.625 
                 1.00 
                 25.16 
               
               
                 ATOM 
                 430 
                 CB 
                 LEU 
                 728 
                 26.191 
                 9.759 
                 28.190 
                 1.00 
                 22.98 
               
               
                 ATOM 
                 431 
                 CG 
                 LEU 
                 728 
                 24.859 
                 9.711 
                 27.448 
                 1.00 
                 20.68 
               
               
                 ATOM 
                 432 
                 CD1 
                 LEU 
                 728 
                 25.084 
                 9.133 
                 26.076 
                 1.00 
                 19.66 
               
               
                 ATOM 
                 433 
                 CD2 
                 LEU 
                 728 
                 23.856 
                 8.883 
                 28.203 
                 1.00 
                 19.79 
               
               
                 ATOM 
                 434 
                 C 
                 LEU 
                 728 
                 27.833 
                 10.208 
                 29.974 
                 1.00 
                 25.79 
               
               
                 ATOM 
                 435 
                 O 
                 LEU 
                 728 
                 28.571 
                 11.157 
                 29.739 
                 1.00 
                 25.15 
               
               
                 ATOM 
                 436 
                 N 
                 HIS 
                 729 
                 28.247 
                 9.064 
                 30.516 
                 1.00 
                 27.05 
               
               
                 ATOM 
                 437 
                 CA 
                 HIS 
                 729 
                 29.642 
                 8.808 
                 30.871 
                 1.00 
                 28.68 
               
               
                 ATOM 
                 438 
                 CB 
                 HIS 
                 729 
                 29.737 
                 7.455 
                 31.570 
                 1.00 
                 30.72 
               
               
                 ATOM 
                 439 
                 CG 
                 HIS 
                 729 
                 31.132 
                 7.042 
                 31.943 
                 1.00 
                 33.13 
               
               
                 ATOM 
                 440 
                 CD2 
                 HIS 
                 729 
                 32.276 
                 6.978 
                 31.218 
                 1.00 
                 33.50 
               
               
                 ATOM 
                 441 
                 ND1 
                 HIS 
                 729 
                 31.460 
                 6.603 
                 33.209 
                 1.00 
                 34.21 
               
               
                 ATOM 
                 442 
                 CE1 
                 HIS 
                 729 
                 32.744 
                 6.293 
                 33.247 
                 1.00 
                 34.64 
               
               
                 ATOM 
                 443 
                 NE2 
                 HIS 
                 729 
                 33.263 
                 6.510 
                 32.049 
                 1.00 
                 34.52 
               
               
                 ATOM 
                 444 
                 C 
                 HIS 
                 729 
                 30.450 
                 8.772 
                 29.577 
                 1.00 
                 29.25 
               
               
                 ATOM 
                 445 
                 O 
                 HIS 
                 729 
                 30.003 
                 8.182 
                 28.594 
                 1.00 
                 29.28 
               
               
                 ATOM 
                 446 
                 N 
                 VAL 
                 730 
                 31.681 
                 9.295 
                 29.625 
                 1.00 
                 30.21 
               
               
                 ATOM 
                 447 
                 CA 
                 VAL 
                 730 
                 32.592 
                 9.365 
                 28.465 
                 1.00 
                 31.02 
               
               
                 ATOM 
                 448 
                 CB 
                 VAL 
                 730 
                 34.036 
                 9.793 
                 28.898 
                 1.00 
                 32.08 
               
               
                 ATOM 
                 449 
                 CG1 
                 VAL 
                 730 
                 35.077 
                 9.446 
                 27.811 
                 1.00 
                 32.91 
               
               
                 ATOM 
                 450 
                 CG2 
                 VAL 
                 730 
                 34.074 
                 11.284 
                 29.176 
                 1.00 
                 31.86 
               
               
                 ATOM 
                 451 
                 C 
                 VAL 
                 730 
                 32.662 
                 8.108 
                 27.600 
                 1.00 
                 30.89 
               
               
                 ATOM 
                 452 
                 O 
                 VAL 
                 730 
                 32.704 
                 8.192 
                 26.371 
                 1.00 
                 30.40 
               
               
                 ATOM 
                 453 
                 N 
                 ASP 
                 731 
                 32.770 
                 6.956 
                 28.244 
                 1.00 
                 30.81 
               
               
                 ATOM 
                 454 
                 CA 
                 ASP 
                 731 
                 32.819 
                 5.709 
                 27.509 
                 1.00 
                 31.55 
               
               
                 ATOM 
                 455 
                 CB 
                 ASP 
                 731 
                 33.244 
                 4.536 
                 28.410 
                 1.00 
                 36.23 
               
               
                 ATOM 
                 456 
                 CG 
                 ASP 
                 731 
                 32.966 
                 3.152 
                 27.771 
                 1.00 
                 40.32 
               
               
                 ATOM 
                 457 
                 OD1 
                 ASP 
                 731 
                 31.837 
                 2.619 
                 27.974 
                 1.00 
                 42.21 
               
               
                 ATOM 
                 458 
                 OD2 
                 ASP 
                 731 
                 33.867 
                 2.599 
                 27.075 
                 1.00 
                 42.23 
               
               
                 ATOM 
                 459 
                 C 
                 ASP 
                 731 
                 31.474 
                 5.425 
                 26.889 
                 1.00 
                 28.94 
               
               
                 ATOM 
                 460 
                 O 
                 ASP 
                 731 
                 31.408 
                 4.912 
                 25.789 
                 1.00 
                 29.47 
               
               
                 ATOM 
                 461 
                 N 
                 ASP 
                 732 
                 30.403 
                 5.760 
                 27.587 
                 1.00 
                 26.17 
               
               
                 ATOM 
                 462 
                 CA 
                 ASP 
                 732 
                 29.079 
                 5.510 
                 27.057 
                 1.00 
                 24.53 
               
               
                 ATOM 
                 463 
                 CB 
                 ASP 
                 732 
                 28.024 
                 5.711 
                 28.119 
                 1.00 
                 24.04 
               
               
                 ATOM 
                 464 
                 CG 
                 ASP 
                 732 
                 28.073 
                 4.654 
                 29.186 
                 1.00 
                 23.64 
               
               
                 ATOM 
                 465 
                 OD1 
                 ASP 
                 732 
                 28.728 
                 3.592 
                 28.984 
                 1.00 
                 22.31 
               
               
                 ATOM 
                 466 
                 OD2 
                 ASP 
                 732 
                 27.444 
                 4.904 
                 30.231 
                 1.00 
                 23.89 
               
               
                 ATOM 
                 467 
                 C 
                 ASP 
                 732 
                 28.770 
                 6.387 
                 25.875 
                 1.00 
                 23.96 
               
               
                 ATOM 
                 468 
                 O 
                 ASP 
                 732 
                 28.030 
                 5.982 
                 24.981 
                 1.00 
                 22.56 
               
               
                 ATOM 
                 469 
                 N 
                 GLN 
                 733 
                 29.288 
                 7.612 
                 25.920 
                 1.00 
                 23.56 
               
               
                 ATOM 
                 470 
                 CA 
                 GLN 
                 733 
                 29.121 
                 8.591 
                 24.855 
                 1.00 
                 22.94 
               
               
                 ATOM 
                 471 
                 CB 
                 GLN 
                 733 
                 29.942 
                 9.847 
                 25.166 
                 1.00 
                 22.73 
               
               
                 ATOM 
                 472 
                 CG 
                 GLN 
                 733 
                 29.359 
                 10.776 
                 26.225 
                 1.00 
                 23.24 
               
               
                 ATOM 
                 473 
                 CD 
                 GLN 
                 733 
                 30.208 
                 12.013 
                 26.480 
                 1.00 
                 23.27 
               
               
                 ATOM 
                 474 
                 OE1 
                 GLN 
                 733 
                 30.018 
                 12.696 
                 27.477 
                 1.00 
                 24.33 
               
               
                 ATOM 
                 475 
                 NE2 
                 GLN 
                 733 
                 31.130 
                 12.316 
                 25.577 
                 1.00 
                 23.47 
               
               
                 ATOM 
                 476 
                 C 
                 GLN 
                 733 
                 29.636 
                 7.997 
                 23.557 
                 1.00 
                 23.20 
               
               
                 ATOM 
                 477 
                 O 
                 GLN 
                 733 
                 28.979 
                 8.075 
                 22.522 
                 1.00 
                 23.08 
               
               
                 ATOM 
                 478 
                 N 
                 MET 
                 734 
                 30.853 
                 7.459 
                 23.625 
                 1.00 
                 23.37 
               
               
                 ATOM 
                 479 
                 CA 
                 MET 
                 734 
                 31.545 
                 6.832 
                 22.508 
                 1.00 
                 24.31 
               
               
                 ATOM 
                 480 
                 CB 
                 MET 
                 734 
                 33.003 
                 6.596 
                 22.906 
                 1.00 
                 27.26 
               
               
                 ATOM 
                 481 
                 CG 
                 MET 
                 734 
                 33.749 
                 5.604 
                 22.047 
                 1.00 
                 31.61 
               
               
                 ATOM 
                 482 
                 SD 
                 MET 
                 734 
                 35.293 
                 5.121 
                 22.821 
                 1.00 
                 39.54 
               
               
                 ATOM 
                 483 
                 CE 
                 MET 
                 734 
                 34.884 
                 3.401 
                 23.387 
                 1.00 
                 37.92 
               
               
                 ATOM 
                 484 
                 C 
                 MET 
                 734 
                 30.902 
                 5.510 
                 22.077 
                 1.00 
                 23.31 
               
               
                 ATOM 
                 485 
                 O 
                 MET 
                 734 
                 30.732 
                 5.247 
                 20.884 
                 1.00 
                 23.35 
               
               
                 ATOM 
                 486 
                 N 
                 ALA 
                 735 
                 30.571 
                 4.671 
                 23.052 
                 1.00 
                 21.64 
               
               
                 ATOM 
                 487 
                 CA 
                 ALA 
                 735 
                 29.939 
                 3.390 
                 22.788 
                 1.00 
                 20.44 
               
               
                 ATOM 
                 488 
                 CB 
                 ALA 
                 735 
                 29.650 
                 2.683 
                 24.110 
                 1.00 
                 20.71 
               
               
                 ATOM 
                 489 
                 C 
                 ALA 
                 735 
                 28.644 
                 3.570 
                 22.013 
                 1.00 
                 19.23 
               
               
                 ATOM 
                 490 
                 O 
                 ALA 
                 735 
                 28.398 
                 2.905 
                 21.015 
                 1.00 
                 19.59 
               
               
                 ATOM 
                 491 
                 N 
                 VAL 
                 736 
                 27.799 
                 4.460 
                 22.501 
                 1.00 
                 18.69 
               
               
                 ATOM 
                 492 
                 CA 
                 VAL 
                 736 
                 26.516 
                 4.734 
                 21.877 
                 1.00 
                 17.76 
               
               
                 ATOM 
                 493 
                 CB 
                 VAL 
                 736 
                 25.742 
                 5.771 
                 22.760 
                 1.00 
                 18.30 
               
               
                 ATOM 
                 494 
                 CG1 
                 VAL 
                 736 
                 25.373 
                 6.998 
                 22.011 
                 1.00 
                 17.05 
               
               
                 ATOM 
                 495 
                 CG2 
                 VAL 
                 736 
                 24.544 
                 5.118 
                 23.420 
                 1.00 
                 17.25 
               
               
                 ATOM 
                 496 
                 C 
                 VAL 
                 736 
                 26.673 
                 5.133 
                 20.389 
                 1.00 
                 18.16 
               
               
                 ATOM 
                 497 
                 O 
                 VAL 
                 736 
                 25.962 
                 4.614 
                 19.512 
                 1.00 
                 17.42 
               
               
                 ATOM 
                 498 
                 N 
                 ILE 
                 737 
                 27.658 
                 5.985 
                 20.096 
                 1.00 
                 17.60 
               
               
                 ATOM 
                 499 
                 CA 
                 ILE 
                 737 
                 27.914 
                 6.429 
                 18.724 
                 1.00 
                 16.31 
               
               
                 ATOM 
                 500 
                 CB 
                 ILE 
                 737 
                 29.046 
                 7.497 
                 18.683 
                 1.00 
                 14.71 
               
               
                 ATOM 
                 501 
                 CG2 
                 ILE 
                 737 
                 29.476 
                 7.772 
                 17.272 
                 1.00 
                 14.05 
               
               
                 ATOM 
                 502 
                 CG1 
                 ILE 
                 737 
                 28.602 
                 8.819 
                 19.325 
                 1.00 
                 15.11 
               
               
                 ATOM 
                 503 
                 CD1 
                 ILE 
                 737 
                 29.769 
                 9.804 
                 19.618 
                 1.00 
                 12.32 
               
               
                 ATOM 
                 504 
                 C 
                 ILE 
                 737 
                 28.352 
                 5.216 
                 17.904 
                 1.00 
                 16.74 
               
               
                 ATOM 
                 505 
                 O 
                 ILE 
                 737 
                 27.853 
                 4.982 
                 16.812 
                 1.00 
                 16.09 
               
               
                 ATOM 
                 506 
                 N 
                 GLN 
                 738 
                 29.281 
                 4.451 
                 18.468 
                 1.00 
                 18.15 
               
               
                 ATOM 
                 507 
                 CA 
                 GLN 
                 738 
                 29.850 
                 3.260 
                 17.845 
                 1.00 
                 17.97 
               
               
                 ATOM 
                 508 
                 CB 
                 GLN 
                 738 
                 30.960 
                 2.715 
                 18.713 
                 1.00 
                 20.53 
               
               
                 ATOM 
                 509 
                 CG 
                 GLN 
                 738 
                 32.278 
                 3.394 
                 18.568 
                 1.00 
                 23.88 
               
               
                 ATOM 
                 510 
                 CD 
                 GLN 
                 738 
                 33.306 
                 2.726 
                 19.439 
                 1.00 
                 26.69 
               
               
                 ATOM 
                 511 
                 OE1 
                 GLN 
                 738 
                 33.027 
                 2.390 
                 20.593 
                 1.00 
                 29.30 
               
               
                 ATOM 
                 512 
                 NE2 
                 GLN 
                 738 
                 34.483 
                 2.475 
                 18.887 
                 1.00 
                 28.53 
               
               
                 ATOM 
                 513 
                 C 
                 GLN 
                 738 
                 28.904 
                 2.111 
                 17.548 
                 1.00 
                 16.76 
               
               
                 ATOM 
                 514 
                 O 
                 GLN 
                 738 
                 29.249 
                 1.226 
                 16.788 
                 1.00 
                 16.47 
               
               
                 ATOM 
                 515 
                 N 
                 TYR 
                 739 
                 27.792 
                 2.029 
                 18.260 
                 1.00 
                 16.39 
               
               
                 ATOM 
                 516 
                 CA 
                 TYR 
                 739 
                 26.819 
                 0.983 
                 17.995 
                 1.00 
                 16.41 
               
               
                 ATOM 
                 517 
                 CB 
                 TYR 
                 739 
                 26.174 
                 0.448 
                 19.285 
                 1.00 
                 15.99 
               
               
                 ATOM 
                 518 
                 CG 
                 TYR 
                 739 
                 27.130 
                 −0.115 
                 20.313 
                 1.00 
                 15.68 
               
               
                 ATOM 
                 519 
                 CD1 
                 TYR 
                 739 
                 28.251 
                 −0.852 
                 19.950 
                 1.00 
                 15.41 
               
               
                 ATOM 
                 520 
                 CE1 
                 TYR 
                 739 
                 29.151 
                 −1.317 
                 20.915 
                 1.00 
                 16.17 
               
               
                 ATOM 
                 521 
                 CD2 
                 TYR 
                 739 
                 26.925 
                 0.131 
                 21.656 
                 1.00 
                 16.49 
               
               
                 ATOM 
                 522 
                 CE2 
                 TYR 
                 739 
                 27.817 
                 −0.321 
                 22.624 
                 1.00 
                 17.09 
               
               
                 ATOM 
                 523 
                 CZ 
                 TYR 
                 739 
                 28.921 
                 −1.040 
                 22.253 
                 1.00 
                 16.83 
               
               
                 ATOM 
                 524 
                 OH 
                 TYR 
                 739 
                 29.787 
                 −1.435 
                 23.256 
                 1.00 
                 18.24 
               
               
                 ATOM 
                 525 
                 C 
                 TYR 
                 739 
                 25.721 
                 1.527 
                 17.100 
                 1.00 
                 16.45 
               
               
                 ATOM 
                 526 
                 O 
                 TYR 
                 739 
                 25.138 
                 0.793 
                 16.295 
                 1.00 
                 17.63 
               
               
                 ATOM 
                 527 
                 N 
                 SER 
                 740 
                 25.453 
                 2.822 
                 17.195 
                 1.00 
                 15.61 
               
               
                 ATOM 
                 528 
                 CA 
                 SER 
                 740 
                 24.384 
                 3.404 
                 16.403 
                 1.00 
                 15.61 
               
               
                 ATOM 
                 529 
                 CB 
                 SER 
                 740 
                 23.619 
                 4.403 
                 17.252 
                 1.00 
                 15.49 
               
               
                 ATOM 
                 530 
                 OG 
                 SER 
                 740 
                 24.512 
                 5.421 
                 17.682 
                 1.00 
                 18.39 
               
               
                 ATOM 
                 531 
                 C 
                 SER 
                 740 
                 24.697 
                 4.054 
                 15.060 
                 1.00 
                 14.87 
               
               
                 ATOM 
                 532 
                 O 
                 SER 
                 740 
                 23.778 
                 4.451 
                 14.376 
                 1.00 
                 15.75 
               
               
                 ATOM 
                 533 
                 N 
                 TRP 
                 741 
                 25.948 
                 4.188 
                 14.659 
                 1.00 
                 14.33 
               
               
                 ATOM 
                 534 
                 CA 
                 TRP 
                 741 
                 26.202 
                 4.835 
                 13.382 
                 1.00 
                 14.83 
               
               
                 ATOM 
                 535 
                 CB 
                 TRP 
                 741 
                 27.706 
                 4.997 
                 13.113 
                 1.00 
                 15.35 
               
               
                 ATOM 
                 536 
                 CG 
                 TRP 
                 741 
                 28.465 
                 3.720 
                 13.000 
                 1.00 
                 17.05 
               
               
                 ATOM 
                 537 
                 CD2 
                 TRP 
                 741 
                 28.765 
                 2.987 
                 11.800 
                 1.00 
                 17.91 
               
               
                 ATOM 
                 538 
                 CE2 
                 TRP 
                 741 
                 29.467 
                 1.834 
                 12.190 
                 1.00 
                 18.98 
               
               
                 ATOM 
                 539 
                 CE3 
                 TRP 
                 741 
                 28.505 
                 3.193 
                 10.434 
                 1.00 
                 18.66 
               
               
                 ATOM 
                 540 
                 CD1 
                 TRP 
                 741 
                 28.995 
                 3.016 
                 14.020 
                 1.00 
                 17.12 
               
               
                 ATOM 
                 541 
                 NE1 
                 TRP 
                 741 
                 29.592 
                 1.878 
                 13.551 
                 1.00 
                 19.60 
               
               
                 ATOM 
                 542 
                 CZ2 
                 TRP 
                 741 
                 29.915 
                 0.876 
                 11.266 
                 1.00 
                 18.79 
               
               
                 ATOM 
                 543 
                 CZ3 
                 TRP 
                 741 
                 28.949 
                 2.240 
                 9.509 
                 1.00 
                 17.91 
               
               
                 ATOM 
                 544 
                 CH2 
                 TRP 
                 741 
                 29.644 
                 1.098 
                 9.934 
                 1.00 
                 18.35 
               
               
                 ATOM 
                 545 
                 C 
                 TRP 
                 741 
                 25.471 
                 4.246 
                 12.166 
                 1.00 
                 15.12 
               
               
                 ATOM 
                 546 
                 O 
                 TRP 
                 741 
                 24.902 
                 4.995 
                 11.376 
                 1.00 
                 15.56 
               
               
                 ATOM 
                 547 
                 N 
                 MET 
                 742 
                 25.391 
                 2.920 
                 12.034 
                 1.00 
                 14.55 
               
               
                 ATOM 
                 548 
                 CA 
                 MET 
                 742 
                 24.723 
                 2.339 
                 10.870 
                 1.00 
                 12.90 
               
               
                 ATOM 
                 549 
                 CB 
                 MET 
                 742 
                 24.785 
                 0.815 
                 10.866 
                 1.00 
                 13.16 
               
               
                 ATOM 
                 550 
                 CG 
                 MET 
                 742 
                 24.219 
                 0.185 
                 9.597 
                 1.00 
                 12.17 
               
               
                 ATOM 
                 551 
                 SD 
                 MET 
                 742 
                 25.353 
                 0.336 
                 8.263 
                 1.00 
                 15.00 
               
               
                 ATOM 
                 552 
                 CE 
                 MET 
                 742 
                 26.462 
                 −0.994 
                 8.639 
                 1.00 
                 13.52 
               
               
                 ATOM 
                 553 
                 C 
                 MET 
                 742 
                 23.290 
                 2.763 
                 10.699 
                 1.00 
                 12.47 
               
               
                 ATOM 
                 554 
                 O 
                 MET 
                 742 
                 22.886 
                 3.153 
                 9.610 
                 1.00 
                 13.31 
               
               
                 ATOM 
                 555 
                 N 
                 GLY 
                 743 
                 22.497 
                 2.656 
                 11.748 
                 1.00 
                 12.12 
               
               
                 ATOM 
                 556 
                 CA 
                 GLY 
                 743 
                 21.102 
                 3.057 
                 11.663 
                 1.00 
                 11.81 
               
               
                 ATOM 
                 557 
                 C 
                 GLY 
                 743 
                 20.947 
                 4.558 
                 11.452 
                 1.00 
                 12.08 
               
               
                 ATOM 
                 558 
                 O 
                 GLY 
                 743 
                 20.022 
                 5.009 
                 10.768 
                 1.00 
                 11.88 
               
               
                 ATOM 
                 559 
                 N 
                 LEU 
                 744 
                 21.835 
                 5.336 
                 12.070 
                 1.00 
                 12.77 
               
               
                 ATOM 
                 560 
                 CA 
                 LEU 
                 744 
                 21.817 
                 6.797 
                 11.972 
                 1.00 
                 12.22 
               
               
                 ATOM 
                 561 
                 CB 
                 LEU 
                 744 
                 22.884 
                 7.418 
                 12.888 
                 1.00 
                 11.70 
               
               
                 ATOM 
                 562 
                 CG 
                 LEU 
                 744 
                 22.702 
                 7.481 
                 14.399 
                 1.00 
                 9.95 
               
               
                 ATOM 
                 563 
                 CD1 
                 LEU 
                 744 
                 23.967 
                 8.075 
                 14.954 
                 1.00 
                 9.77 
               
               
                 ATOM 
                 564 
                 CD2 
                 LEU 
                 744 
                 21.516 
                 8.341 
                 14.799 
                 1.00 
                 9.16 
               
               
                 ATOM 
                 565 
                 C 
                 LEU 
                 744 
                 22.087 
                 7.258 
                 10.563 
                 1.00 
                 12.20 
               
               
                 ATOM 
                 566 
                 O 
                 LEU 
                 744 
                 21.424 
                 8.173 
                 10.080 
                 1.00 
                 14.22 
               
               
                 ATOM 
                 567 
                 N 
                 MET 
                 745 
                 23.083 
                 6.651 
                 9.921 
                 1.00 
                 12.34 
               
               
                 ATOM 
                 568 
                 CA 
                 MET 
                 745 
                 23.466 
                 6.991 
                 8.541 
                 1.00 
                 11.39 
               
               
                 ATOM 
                 569 
                 CB 
                 MET 
                 745 
                 24.839 
                 6.427 
                 8.191 
                 1.00 
                 10.75 
               
               
                 ATOM 
                 570 
                 CG 
                 MET 
                 745 
                 25.961 
                 6.948 
                 9.076 
                 1.00 
                 8.86 
               
               
                 ATOM 
                 571 
                 SD 
                 MET 
                 745 
                 27.509 
                 6.429 
                 8.487 
                 1.00 
                 11.97 
               
               
                 ATOM 
                 572 
                 CE 
                 MET 
                 745 
                 28.579 
                 6.939 
                 9.717 
                 1.00 
                 9.84 
               
               
                 ATOM 
                 573 
                 C 
                 MET 
                 745 
                 22.462 
                 6.498 
                 7.508 
                 1.00 
                 12.29 
               
               
                 ATOM 
                 574 
                 O 
                 MET 
                 745 
                 22.234 
                 7.155 
                 6.495 
                 1.00 
                 10.62 
               
               
                 ATOM 
                 575 
                 N 
                 VAL 
                 746 
                 21.855 
                 5.342 
                 7.793 
                 1.00 
                 12.05 
               
               
                 ATOM 
                 576 
                 CA 
                 VAL 
                 746 
                 20.874 
                 4.733 
                 6.934 
                 1.00 
                 11.50 
               
               
                 ATOM 
                 577 
                 CB 
                 VAL 
                 746 
                 20.524 
                 3.315 
                 7.426 
                 1.00 
                 11.19 
               
               
                 ATOM 
                 578 
                 CG1 
                 VAL 
                 746 
                 19.245 
                 2.852 
                 6.811 
                 1.00 
                 10.17 
               
               
                 ATOM 
                 579 
                 CG2 
                 VAL 
                 746 
                 21.615 
                 2.355 
                 7.095 
                 1.00 
                 9.64 
               
               
                 ATOM 
                 580 
                 C 
                 VAL 
                 746 
                 19.605 
                 5.565 
                 6.942 
                 1.00 
                 12.13 
               
               
                 ATOM 
                 581 
                 O 
                 VAL 
                 746 
                 19.000 
                 5.792 
                 5.907 
                 1.00 
                 12.72 
               
               
                 ATOM 
                 582 
                 N 
                 PHE 
                 747 
                 19.227 
                 6.051 
                 8.117 
                 1.00 
                 12.64 
               
               
                 ATOM 
                 583 
                 CA 
                 PHE 
                 747 
                 18.014 
                 6.857 
                 8.304 
                 1.00 
                 12.63 
               
               
                 ATOM 
                 584 
                 CB 
                 PHE 
                 747 
                 17.763 
                 7.031 
                 9.800 
                 1.00 
                 11.19 
               
               
                 ATOM 
                 585 
                 CG 
                 PHE 
                 747 
                 16.411 
                 7.542 
                 10.126 
                 1.00 
                 10.00 
               
               
                 ATOM 
                 586 
                 CD1 
                 PHE 
                 747 
                 15.286 
                 6.780 
                 9.847 
                 1.00 
                 9.30 
               
               
                 ATOM 
                 587 
                 CD2 
                 PHE 
                 747 
                 16.253 
                 8.798 
                 10.700 
                 1.00 
                 7.79 
               
               
                 ATOM 
                 588 
                 CE1 
                 PHE 
                 747 
                 14.008 
                 7.260 
                 10.136 
                 1.00 
                 8.30 
               
               
                 ATOM 
                 589 
                 CE2 
                 PHE 
                 747 
                 14.996 
                 9.293 
                 10.993 
                 1.00 
                 6.75 
               
               
                 ATOM 
                 590 
                 CZ 
                 PHE 
                 747 
                 13.867 
                 8.524 
                 10.707 
                 1.00 
                 8.21 
               
               
                 ATOM 
                 591 
                 C 
                 PHE 
                 747 
                 18.137 
                 8.241 
                 7.621 
                 1.00 
                 13.26 
               
               
                 ATOM 
                 592 
                 O 
                 PHE 
                 747 
                 17.178 
                 8.751 
                 7.042 
                 1.00 
                 13.81 
               
               
                 ATOM 
                 593 
                 N 
                 ALA 
                 748 
                 19.298 
                 8.873 
                 7.740 
                 1.00 
                 12.46 
               
               
                 ATOM 
                 594 
                 CA 
                 ALA 
                 748 
                 19.513 
                 10.172 
                 7.119 
                 1.00 
                 12.97 
               
               
                 ATOM 
                 595 
                 CB 
                 ALA 
                 748 
                 20.749 
                 10.808 
                 7.648 
                 1.00 
                 11.50 
               
               
                 ATOM 
                 596 
                 C 
                 ALA 
                 748 
                 19.640 
                 9.988 
                 5.635 
                 1.00 
                 13.78 
               
               
                 ATOM 
                 597 
                 O 
                 ALA 
                 748 
                 19.226 
                 10.850 
                 4.882 
                 1.00 
                 14.44 
               
               
                 ATOM 
                 598 
                 N 
                 MET 
                 749 
                 20.209 
                 8.864 
                 5.204 
                 1.00 
                 14.54 
               
               
                 ATOM 
                 599 
                 CA 
                 MET 
                 749 
                 20.381 
                 8.578 
                 3.782 
                 1.00 
                 14.78 
               
               
                 ATOM 
                 600 
                 CB 
                 MET 
                 749 
                 21.241 
                 7.331 
                 3.607 
                 1.00 
                 15.28 
               
               
                 ATOM 
                 601 
                 CG 
                 MET 
                 749 
                 21.622 
                 6.945 
                 2.199 
                 1.00 
                 15.33 
               
               
                 ATOM 
                 602 
                 SD 
                 MET 
                 749 
                 20.315 
                 6.246 
                 1.193 
                 1.00 
                 18.79 
               
               
                 ATOM 
                 603 
                 CE 
                 MET 
                 749 
                 20.226 
                 4.627 
                 1.835 
                 1.00 
                 18.82 
               
               
                 ATOM 
                 604 
                 C 
                 MET 
                 749 
                 19.023 
                 8.390 
                 3.142 
                 1.00 
                 15.85 
               
               
                 ATOM 
                 605 
                 O 
                 MET 
                 749 
                 18.808 
                 8.780 
                 1.990 
                 1.00 
                 17.51 
               
               
                 ATOM 
                 606 
                 N 
                 GLY 
                 750 
                 18.088 
                 7.829 
                 3.895 
                 1.00 
                 16.02 
               
               
                 ATOM 
                 607 
                 CA 
                 GLY 
                 750 
                 16.748 
                 7.618 
                 3.384 
                 1.00 
                 16.34 
               
               
                 ATOM 
                 608 
                 C 
                 GLY 
                 750 
                 16.057 
                 8.956 
                 3.225 
                 1.00 
                 17.79 
               
               
                 ATOM 
                 609 
                 O 
                 GLY 
                 750 
                 15.263 
                 9.135 
                 2.289 
                 1.00 
                 19.00 
               
               
                 ATOM 
                 610 
                 N 
                 TRP 
                 751 
                 16.361 
                 9.897 
                 4.121 
                 1.00 
                 17.36 
               
               
                 ATOM 
                 611 
                 CA 
                 TRP 
                 751 
                 15.778 
                 11.241 
                 4.091 
                 1.00 
                 17.99 
               
               
                 ATOM 
                 612 
                 CB 
                 TRP 
                 751 
                 16.108 
                 12.026 
                 5.366 
                 1.00 
                 16.08 
               
               
                 ATOM 
                 613 
                 CG 
                 TRP 
                 751 
                 15.528 
                 13.458 
                 5.416 
                 1.00 
                 14.99 
               
               
                 ATOM 
                 614 
                 CD2 
                 TRP 
                 751 
                 14.151 
                 13.821 
                 5.617 
                 1.00 
                 13.68 
               
               
                 ATOM 
                 615 
                 CE2 
                 TRP 
                 751 
                 14.099 
                 15.230 
                 5.697 
                 1.00 
                 12.98 
               
               
                 ATOM 
                 616 
                 CE3 
                 TRP 
                 751 
                 12.967 
                 13.090 
                 5.743 
                 1.00 
                 14.14 
               
               
                 ATOM 
                 617 
                 CD1 
                 TRP 
                 751 
                 16.225 
                 14.636 
                 5.364 
                 1.00 
                 13.27 
               
               
                 ATOM 
                 618 
                 NE1 
                 TRP 
                 751 
                 15.375 
                 15.705 
                 5.538 
                 1.00 
                 12.27 
               
               
                 ATOM 
                 619 
                 CZ2 
                 TRP 
                 751 
                 12.907 
                 15.926 
                 5.899 
                 1.00 
                 14.74 
               
               
                 ATOM 
                 620 
                 CZ3 
                 TRP 
                 751 
                 11.775 
                 13.780 
                 5.942 
                 1.00 
                 14.63 
               
               
                 ATOM 
                 621 
                 CH2 
                 TRP 
                 751 
                 11.756 
                 15.188 
                 6.020 
                 1.00 
                 14.82 
               
               
                 ATOM 
                 622 
                 C 
                 TRP 
                 751 
                 16.266 
                 11.995 
                 2.857 
                 1.00 
                 18.41 
               
               
                 ATOM 
                 623 
                 O 
                 TRP 
                 751 
                 15.457 
                 12.558 
                 2.124 
                 1.00 
                 20.13 
               
               
                 ATOM 
                 624 
                 N 
                 ARG 
                 752 
                 17.569 
                 11.971 
                 2.607 
                 1.00 
                 19.13 
               
               
                 ATOM 
                 625 
                 CA 
                 ARG 
                 752 
                 18.150 
                 12.616 
                 1.431 
                 1.00 
                 19.06 
               
               
                 ATOM 
                 626 
                 CB 
                 ARG 
                 752 
                 19.644 
                 12.380 
                 1.389 
                 1.00 
                 18.53 
               
               
                 ATOM 
                 627 
                 CG 
                 ARG 
                 752 
                 20.370 
                 12.908 
                 2.567 
                 1.00 
                 18.25 
               
               
                 ATOM 
                 628 
                 CD 
                 ARG 
                 752 
                 21.870 
                 12.901 
                 2.317 
                 1.00 
                 17.24 
               
               
                 ATOM 
                 629 
                 NE 
                 ARG 
                 752 
                 22.467 
                 11.573 
                 2.298 
                 1.00 
                 14.94 
               
               
                 ATOM 
                 630 
                 CZ 
                 ARG 
                 752 
                 22.976 
                 10.973 
                 3.370 
                 1.00 
                 14.90 
               
               
                 ATOM 
                 631 
                 NH1 
                 ARG 
                 752 
                 22.928 
                 11.561 
                 4.554 
                 1.00 
                 14.75 
               
               
                 ATOM 
                 632 
                 NH2 
                 ARG 
                 752 
                 23.684 
                 9.864 
                 3.240 
                 1.00 
                 13.87 
               
               
                 ATOM 
                 633 
                 C 
                 ARG 
                 752 
                 17.572 
                 12.077 
                 0.138 
                 1.00 
                 20.27 
               
               
                 ATOM 
                 634 
                 O 
                 ARG 
                 752 
                 17.392 
                 12.815 
                 −0.828 
                 1.00 
                 20.66 
               
               
                 ATOM 
                 635 
                 N 
                 SER 
                 753 
                 17.391 
                 10.761 
                 0.083 
                 1.00 
                 22.00 
               
               
                 ATOM 
                 636 
                 CA 
                 SER 
                 753 
                 16.823 
                 10.099 
                 −1.093 
                 1.00 
                 22.25 
               
               
                 ATOM 
                 637 
                 CB 
                 SER 
                 753 
                 16.716 
                 8.590 
                 −0.879 
                 1.00 
                 20.25 
               
               
                 ATOM 
                 638 
                 OG 
                 SER 
                 753 
                 17.988 
                 8.027 
                 −0.687 
                 1.00 
                 19.78 
               
               
                 ATOM 
                 639 
                 C 
                 SER 
                 753 
                 15.434 
                 10.635 
                 −1.289 
                 1.00 
                 23.31 
               
               
                 ATOM 
                 640 
                 O 
                 SER 
                 753 
                 14.978 
                 10.803 
                 −2.409 
                 1.00 
                 23.88 
               
               
                 ATOM 
                 641 
                 N 
                 PHE 
                 754 
                 14.762 
                 10.870 
                 −0.173 
                 1.00 
                 24.76 
               
               
                 ATOM 
                 642 
                 CA 
                 PHE 
                 754 
                 13.405 
                 11.375 
                 −0.156 
                 1.00 
                 26.45 
               
               
                 ATOM 
                 643 
                 CB 
                 PHE 
                 754 
                 12.835 
                 11.243 
                 1.245 
                 1.00 
                 26.43 
               
               
                 ATOM 
                 644 
                 CG 
                 PHE 
                 754 
                 11.447 
                 11.765 
                 1.364 
                 1.00 
                 28.06 
               
               
                 ATOM 
                 645 
                 CD1 
                 PHE 
                 754 
                 10.407 
                 11.168 
                 0.654 
                 1.00 
                 28.69 
               
               
                 ATOM 
                 646 
                 CD2 
                 PHE 
                 754 
                 11.184 
                 12.895 
                 2.118 
                 1.00 
                 27.96 
               
               
                 ATOM 
                 647 
                 CE1 
                 PHE 
                 754 
                 9.126 
                 11.703 
                 0.687 
                 1.00 
                 29.47 
               
               
                 ATOM 
                 648 
                 CE2 
                 PHE 
                 754 
                 9.901 
                 13.442 
                 2.160 
                 1.00 
                 28.93 
               
               
                 ATOM 
                 649 
                 CZ 
                 PHE 
                 754 
                 8.876 
                 12.849 
                 1.445 
                 1.00 
                 29.47 
               
               
                 ATOM 
                 650 
                 C 
                 PHE 
                 754 
                 13.239 
                 12.818 
                 −0.630 
                 1.00 
                 27.47 
               
               
                 ATOM 
                 651 
                 O 
                 PHE 
                 754 
                 12.543 
                 13.100 
                 −1.614 
                 1.00 
                 26.87 
               
               
                 ATOM 
                 652 
                 N 
                 THR 
                 755 
                 13.823 
                 13.732 
                 0.125 
                 1.00 
                 29.01 
               
               
                 ATOM 
                 653 
                 CA 
                 THR 
                 755 
                 13.725 
                 15.134 
                 −0.190 
                 1.00 
                 30.83 
               
               
                 ATOM 
                 654 
                 CB 
                 THR 
                 755 
                 14.345 
                 15.972 
                 0.918 
                 1.00 
                 29.71 
               
               
                 ATOM 
                 655 
                 OG1 
                 THR 
                 755 
                 15.669 
                 15.524 
                 1.183 
                 1.00 
                 28.99 
               
               
                 ATOM 
                 656 
                 CG2 
                 THR 
                 755 
                 13.553 
                 15.796 
                 2.164 
                 1.00 
                 29.63 
               
               
                 ATOM 
                 657 
                 C 
                 THR 
                 755 
                 14.317 
                 15.460 
                 −1.552 
                 1.00 
                 32.57 
               
               
                 ATOM 
                 658 
                 O 
                 THR 
                 755 
                 13.841 
                 16.358 
                 −2.234 
                 1.00 
                 33.24 
               
               
                 ATOM 
                 659 
                 N 
                 ASN 
                 756 
                 15.262 
                 14.639 
                 −1.991 
                 1.00 
                 34.71 
               
               
                 ATOM 
                 660 
                 CA 
                 ASN 
                 756 
                 15.920 
                 14.842 
                 −3.273 
                 1.00 
                 36.48 
               
               
                 ATOM 
                 661 
                 CB 
                 ASN 
                 756 
                 17.417 
                 14.562 
                 −3.149 
                 1.00 
                 36.89 
               
               
                 ATOM 
                 662 
                 CG 
                 ASN 
                 756 
                 18.137 
                 15.616 
                 −2.344 
                 1.00 
                 37.02 
               
               
                 ATOM 
                 663 
                 OD1 
                 ASN 
                 756 
                 17.563 
                 16.237 
                 −1.456 
                 1.00 
                 39.11 
               
               
                 ATOM 
                 664 
                 ND2 
                 ASN 
                 756 
                 19.392 
                 15.844 
                 −2.668 
                 1.00 
                 37.24 
               
               
                 ATOM 
                 665 
                 C 
                 ASN 
                 756 
                 15.360 
                 14.065 
                 −4.457 
                 1.00 
                 37.88 
               
               
                 ATOM 
                 666 
                 O 
                 ASN 
                 756 
                 14.684 
                 14.628 
                 −5.313 
                 1.00 
                 39.57 
               
               
                 ATOM 
                 667 
                 N 
                 VAL 
                 757 
                 15.654 
                 12.773 
                 −4.518 
                 1.00 
                 38.99 
               
               
                 ATOM 
                 668 
                 CA 
                 VAL 
                 757 
                 15.210 
                 11.948 
                 −5.633 
                 1.00 
                 39.74 
               
               
                 ATOM 
                 669 
                 CB 
                 VAL 
                 757 
                 16.274 
                 10.869 
                 −5.971 
                 1.00 
                 39.96 
               
               
                 ATOM 
                 670 
                 CG1 
                 VAL 
                 757 
                 17.639 
                 11.540 
                 −6.170 
                 1.00 
                 40.00 
               
               
                 ATOM 
                 671 
                 CG2 
                 VAL 
                 757 
                 16.354 
                 9.819 
                 −4.871 
                 1.00 
                 39.28 
               
               
                 ATOM 
                 672 
                 C 
                 VAL 
                 757 
                 13.835 
                 11.308 
                 −5.456 
                 1.00 
                 39.95 
               
               
                 ATOM 
                 673 
                 O 
                 VAL 
                 757 
                 13.501 
                 10.335 
                 −6.134 
                 1.00 
                 40.19 
               
               
                 ATOM 
                 674 
                 N 
                 ASN 
                 758 
                 13.037 
                 11.874 
                 −4.559 
                 1.00 
                 40.46 
               
               
                 ATOM 
                 675 
                 CA 
                 ASN 
                 758 
                 11.699 
                 11.374 
                 −4.265 
                 1.00 
                 41.28 
               
               
                 ATOM 
                 676 
                 CB 
                 ASN 
                 758 
                 10.678 
                 11.894 
                 −5.288 
                 1.00 
                 43.82 
               
               
                 ATOM 
                 677 
                 CG 
                 ASN 
                 758 
                 10.257 
                 13.331 
                 −5.005 
                 1.00 
                 44.84 
               
               
                 ATOM 
                 678 
                 OD1 
                 ASN 
                 758 
                 11.097 
                 14.199 
                 −4.764 
                 1.00 
                 46.40 
               
               
                 ATOM 
                 679 
                 ND2 
                 ASN 
                 758 
                 8.953 
                 13.576 
                 −4.987 
                 1.00 
                 45.71 
               
               
                 ATOM 
                 680 
                 C 
                 ASN 
                 758 
                 11.622 
                 9.858 
                 −4.100 
                 1.00 
                 40.91 
               
               
                 ATOM 
                 681 
                 O 
                 ASN 
                 758 
                 10.592 
                 9.229 
                 −4.404 
                 1.00 
                 40.73 
               
               
                 ATOM 
                 682 
                 N 
                 SER 
                 759 
                 12.733 
                 9.298 
                 −3.612 
                 1.00 
                 40.04 
               
               
                 ATOM 
                 683 
                 CA 
                 SER 
                 759 
                 12.891 
                 7.877 
                 −3.326 
                 1.00 
                 38.71 
               
               
                 ATOM 
                 684 
                 CB 
                 SER 
                 759 
                 11.763 
                 7.415 
                 −2.395 
                 1.00 
                 37.53 
               
               
                 ATOM 
                 685 
                 OG 
                 SER 
                 759 
                 11.496 
                 8.369 
                 −1.378 
                 1.00 
                 34.26 
               
               
                 ATOM 
                 686 
                 C 
                 SER 
                 759 
                 13.027 
                 6.921 
                 −4.532 
                 1.00 
                 39.24 
               
               
                 ATOM 
                 687 
                 O 
                 SER 
                 759 
                 12.833 
                 5.711 
                 −4.382 
                 1.00 
                 39.20 
               
               
                 ATOM 
                 688 
                 N 
                 ARG 
                 760 
                 13.409 
                 7.438 
                 −5.704 
                 1.00 
                 39.12 
               
               
                 ATOM 
                 689 
                 CA 
                 ARG 
                 760 
                 13.564 
                 6.589 
                 −6.892 
                 1.00 
                 38.62 
               
               
                 ATOM 
                 690 
                 CB 
                 ARG 
                 760 
                 13.451 
                 7.422 
                 −8.171 
                 1.00 
                 40.63 
               
               
                 ATOM 
                 691 
                 CG 
                 ARG 
                 760 
                 13.598 
                 6.577 
                 −9.444 
                 1.00 
                 44.41 
               
               
                 ATOM 
                 692 
                 CD 
                 ARG 
                 760 
                 13.903 
                 7.394 
                 −10.715 
                 1.00 
                 46.97 
               
               
                 ATOM 
                 693 
                 NE 
                 ARG 
                 760 
                 14.534 
                 6.544 
                 −11.729 
                 1.00 
                 48.86 
               
               
                 ATOM 
                 694 
                 CZ 
                 ARG 
                 760 
                 13.875 
                 5.797 
                 −12.614 
                 1.00 
                 49.74 
               
               
                 ATOM 
                 695 
                 NH1 
                 ARG 
                 760 
                 12.542 
                 5.795 
                 −12.649 
                 1.00 
                 50.04 
               
               
                 ATOM 
                 696 
                 NH2 
                 ARG 
                 760 
                 14.553 
                 4.969 
                 −13.398 
                 1.00 
                 49.46 
               
               
                 ATOM 
                 697 
                 C 
                 ARG 
                 760 
                 14.897 
                 5.840 
                 −6.876 
                 1.00 
                 36.88 
               
               
                 ATOM 
                 698 
                 O 
                 ARG 
                 760 
                 15.024 
                 4.741 
                 −7.426 
                 1.00 
                 37.48 
               
               
                 ATOM 
                 699 
                 N 
                 MET 
                 761 
                 15.902 
                 6.466 
                 −6.275 
                 1.00 
                 34.87 
               
               
                 ATOM 
                 700 
                 CA 
                 MET 
                 761 
                 17.238 
                 5.890 
                 −6.159 
                 1.00 
                 32.21 
               
               
                 ATOM 
                 701 
                 CB 
                 MET 
                 761 
                 18.171 
                 6.510 
                 −7.194 
                 1.00 
                 33.77 
               
               
                 ATOM 
                 702 
                 CG 
                 MET 
                 761 
                 17.588 
                 6.682 
                 −8.571 
                 1.00 
                 36.10 
               
               
                 ATOM 
                 703 
                 SD 
                 MET 
                 761 
                 18.859 
                 7.115 
                 −9.788 
                 1.00 
                 40.36 
               
               
                 ATOM 
                 704 
                 CE 
                 MET 
                 761 
                 18.737 
                 8.904 
                 −9.809 
                 1.00 
                 38.10 
               
               
                 ATOM 
                 705 
                 C 
                 MET 
                 761 
                 17.738 
                 6.242 
                 −4.751 
                 1.00 
                 29.46 
               
               
                 ATOM 
                 706 
                 O 
                 MET 
                 761 
                 17.144 
                 7.080 
                 −4.075 
                 1.00 
                 28.57 
               
               
                 ATOM 
                 707 
                 N 
                 LEU 
                 762 
                 18.837 
                 5.635 
                 −4.319 
                 1.00 
                 26.78 
               
               
                 ATOM 
                 708 
                 CA 
                 LEU 
                 762 
                 19.382 
                 5.905 
                 −2.992 
                 1.00 
                 24.13 
               
               
                 ATOM 
                 709 
                 CB 
                 LEU 
                 762 
                 19.956 
                 4.637 
                 −2.393 
                 1.00 
                 24.05 
               
               
                 ATOM 
                 710 
                 CG 
                 LEU 
                 762 
                 18.957 
                 3.502 
                 −2.272 
                 1.00 
                 23.69 
               
               
                 ATOM 
                 711 
                 CD1 
                 LEU 
                 762 
                 19.615 
                 2.272 
                 −1.632 
                 1.00 
                 23.99 
               
               
                 ATOM 
                 712 
                 CD2 
                 LEU 
                 762 
                 17.788 
                 4.011 
                 −1.439 
                 1.00 
                 24.34 
               
               
                 ATOM 
                 713 
                 C 
                 LEU 
                 762 
                 20.458 
                 6.968 
                 −3.040 
                 1.00 
                 23.01 
               
               
                 ATOM 
                 714 
                 O 
                 LEU 
                 762 
                 21.537 
                 6.726 
                 −3.548 
                 1.00 
                 22.65 
               
               
                 ATOM 
                 715 
                 N 
                 TYR 
                 763 
                 20.162 
                 8.132 
                 −2.475 
                 1.00 
                 22.03 
               
               
                 ATOM 
                 716 
                 CA 
                 TYR 
                 763 
                 21.066 
                 9.273 
                 −2.450 
                 1.00 
                 20.69 
               
               
                 ATOM 
                 717 
                 CB 
                 TYR 
                 763 
                 20.250 
                 10.540 
                 −2.266 
                 1.00 
                 23.12 
               
               
                 ATOM 
                 718 
                 CG 
                 TYR 
                 763 
                 20.946 
                 11.782 
                 −2.730 
                 1.00 
                 25.58 
               
               
                 ATOM 
                 719 
                 CD1 
                 TYR 
                 763 
                 20.841 
                 12.187 
                 −4.052 
                 1.00 
                 26.87 
               
               
                 ATOM 
                 720 
                 CE1 
                 TYR 
                 763 
                 21.416 
                 13.373 
                 −4.492 
                 1.00 
                 28.03 
               
               
                 ATOM 
                 721 
                 CD2 
                 TYR 
                 763 
                 21.662 
                 12.590 
                 −1.841 
                 1.00 
                 26.77 
               
               
                 ATOM 
                 722 
                 CE2 
                 TYR 
                 763 
                 22.247 
                 13.789 
                 −2.272 
                 1.00 
                 28.35 
               
               
                 ATOM 
                 723 
                 CZ 
                 TYR 
                 763 
                 22.107 
                 14.172 
                 −3.604 
                 1.00 
                 28.85 
               
               
                 ATOM 
                 724 
                 OH 
                 TYR 
                 763 
                 22.595 
                 15.379 
                 −4.047 
                 1.00 
                 30.59 
               
               
                 ATOM 
                 725 
                 C 
                 TYR 
                 763 
                 22.068 
                 9.173 
                 −1.323 
                 1.00 
                 18.78 
               
               
                 ATOM 
                 726 
                 O 
                 TYR 
                 763 
                 21.910 
                 9.828 
                 −0.304 
                 1.00 
                 17.73 
               
               
                 ATOM 
                 727 
                 N 
                 PHE 
                 764 
                 23.128 
                 8.401 
                 −1.538 
                 1.00 
                 17.33 
               
               
                 ATOM 
                 728 
                 CA 
                 PHE 
                 764 
                 24.152 
                 8.191 
                 −0.533 
                 1.00 
                 16.94 
               
               
                 ATOM 
                 729 
                 CB 
                 PHE 
                 764 
                 25.086 
                 7.078 
                 −0.956 
                 1.00 
                 15.91 
               
               
                 ATOM 
                 730 
                 CG 
                 PHE 
                 764 
                 24.505 
                 5.724 
                 −0.807 
                 1.00 
                 16.79 
               
               
                 ATOM 
                 731 
                 CD1 
                 PHE 
                 764 
                 24.211 
                 4.961 
                 −1.908 
                 1.00 
                 16.06 
               
               
                 ATOM 
                 732 
                 CD2 
                 PHE 
                 764 
                 24.267 
                 5.205 
                 0.450 
                 1.00 
                 16.83 
               
               
                 ATOM 
                 733 
                 CE1 
                 PHE 
                 764 
                 23.691 
                 3.692 
                 −1.756 
                 1.00 
                 18.06 
               
               
                 ATOM 
                 734 
                 CE2 
                 PHE 
                 764 
                 23.748 
                 3.941 
                 0.606 
                 1.00 
                 18.27 
               
               
                 ATOM 
                 735 
                 CZ 
                 PHE 
                 764 
                 23.458 
                 3.176 
                 −0.496 
                 1.00 
                 17.80 
               
               
                 ATOM 
                 736 
                 C 
                 PHE 
                 764 
                 24.964 
                 9.441 
                 −0.375 
                 1.00 
                 17.39 
               
               
                 ATOM 
                 737 
                 O 
                 PHE 
                 764 
                 25.379 
                 9.797 
                 0.734 
                 1.00 
                 17.28 
               
               
                 ATOM 
                 738 
                 N 
                 ALA 
                 765 
                 25.224 
                 10.084 
                 −1.503 
                 1.00 
                 17.00 
               
               
                 ATOM 
                 739 
                 CA 
                 ALA 
                 765 
                 26.013 
                 11.292 
                 −1.525 
                 1.00 
                 16.32 
               
               
                 ATOM 
                 740 
                 CB 
                 ALA 
                 765 
                 27.479 
                 10.957 
                 −1.460 
                 1.00 
                 16.17 
               
               
                 ATOM 
                 741 
                 C 
                 ALA 
                 765 
                 25.674 
                 11.913 
                 −2.841 
                 1.00 
                 16.66 
               
               
                 ATOM 
                 742 
                 O 
                 ALA 
                 765 
                 25.051 
                 11.267 
                 −3.675 
                 1.00 
                 16.71 
               
               
                 ATOM 
                 743 
                 N 
                 PRO 
                 766 
                 26.016 
                 13.196 
                 −3.032 
                 1.00 
                 17.18 
               
               
                 ATOM 
                 744 
                 CD 
                 PRO 
                 766 
                 26.544 
                 14.169 
                 −2.064 
                 1.00 
                 15.41 
               
               
                 ATOM 
                 745 
                 CA 
                 PRO 
                 766 
                 25.703 
                 13.846 
                 −4.311 
                 1.00 
                 17.49 
               
               
                 ATOM 
                 746 
                 CB 
                 PRO 
                 766 
                 26.183 
                 15.277 
                 −4.077 
                 1.00 
                 17.30 
               
               
                 ATOM 
                 747 
                 CG 
                 PRO 
                 766 
                 26.002 
                 15.451 
                 −2.608 
                 1.00 
                 17.07 
               
               
                 ATOM 
                 748 
                 C 
                 PRO 
                 766 
                 26.429 
                 13.161 
                 −5.481 
                 1.00 
                 17.65 
               
               
                 ATOM 
                 749 
                 O 
                 PRO 
                 766 
                 25.923 
                 13.099 
                 −6.598 
                 1.00 
                 17.73 
               
               
                 ATOM 
                 750 
                 N 
                 ASP 
                 767 
                 27.578 
                 12.569 
                 −5.166 
                 1.00 
                 18.27 
               
               
                 ATOM 
                 751 
                 CA 
                 ASP 
                 767 
                 28.416 
                 11.850 
                 −6.115 
                 1.00 
                 18.49 
               
               
                 ATOM 
                 752 
                 CB 
                 ASP 
                 767 
                 29.877 
                 12.312 
                 −5.955 
                 1.00 
                 18.71 
               
               
                 ATOM 
                 753 
                 CG 
                 ASP 
                 767 
                 30.413 
                 12.135 
                 −4.525 
                 1.00 
                 19.47 
               
               
                 ATOM 
                 754 
                 OD1 
                 ASP 
                 767 
                 29.611 
                 12.038 
                 −3.569 
                 1.00 
                 20.31 
               
               
                 ATOM 
                 755 
                 OD2 
                 ASP 
                 767 
                 31.650 
                 12.102 
                 −4.348 
                 1.00 
                 19.04 
               
               
                 ATOM 
                 756 
                 C 
                 ASP 
                 767 
                 28.330 
                 10.317 
                 −5.981 
                 1.00 
                 17.79 
               
               
                 ATOM 
                 757 
                 O 
                 ASP 
                 767 
                 29.191 
                 9.594 
                 −6.476 
                 1.00 
                 18.69 
               
               
                 ATOM 
                 758 
                 N 
                 LEU 
                 768 
                 27.334 
                 9.820 
                 −5.267 
                 1.00 
                 18.04 
               
               
                 ATOM 
                 759 
                 CA 
                 LEU 
                 768 
                 27.164 
                 8.379 
                 −5.110 
                 1.00 
                 18.20 
               
               
                 ATOM 
                 760 
                 CB 
                 LEU 
                 768 
                 27.955 
                 7.809 
                 −3.914 
                 1.00 
                 17.47 
               
               
                 ATOM 
                 761 
                 CG 
                 LEU 
                 768 
                 28.032 
                 6.263 
                 −3.786 
                 1.00 
                 16.12 
               
               
                 ATOM 
                 762 
                 CD1 
                 LEU 
                 768 
                 28.641 
                 5.671 
                 −5.047 
                 1.00 
                 14.30 
               
               
                 ATOM 
                 763 
                 CD2 
                 LEU 
                 768 
                 28.850 
                 5.846 
                 −2.563 
                 1.00 
                 15.17 
               
               
                 ATOM 
                 764 
                 C 
                 LEU 
                 768 
                 25.690 
                 8.129 
                 −4.930 
                 1.00 
                 18.58 
               
               
                 ATOM 
                 765 
                 O 
                 LEU 
                 768 
                 25.184 
                 8.068 
                 −3.812 
                 1.00 
                 17.79 
               
               
                 ATOM 
                 766 
                 N 
                 VAL 
                 769 
                 24.979 
                 8.156 
                 −6.048 
                 1.00 
                 19.79 
               
               
                 ATOM 
                 767 
                 CA 
                 VAL 
                 769 
                 23.553 
                 7.895 
                 −6.035 
                 1.00 
                 20.42 
               
               
                 ATOM 
                 768 
                 CB 
                 VAL 
                 769 
                 22.709 
                 9.142 
                 −6.447 
                 1.00 
                 19.95 
               
               
                 ATOM 
                 769 
                 CG1 
                 VAL 
                 769 
                 23.571 
                 10.190 
                 −7.096 
                 1.00 
                 20.70 
               
               
                 ATOM 
                 770 
                 CG2 
                 VAL 
                 769 
                 21.537 
                 8.757 
                 −7.277 
                 1.00 
                 19.19 
               
               
                 ATOM 
                 771 
                 C 
                 VAL 
                 769 
                 23.373 
                 6.609 
                 −6.852 
                 1.00 
                 20.73 
               
               
                 ATOM 
                 772 
                 O 
                 VAL 
                 769 
                 23.873 
                 6.467 
                 −7.961 
                 1.00 
                 22.43 
               
               
                 ATOM 
                 773 
                 N 
                 PHE 
                 770 
                 22.871 
                 5.604 
                 −6.157 
                 1.00 
                 19.70 
               
               
                 ATOM 
                 774 
                 CA 
                 PHE 
                 770 
                 22.683 
                 4.277 
                 −6.681 
                 1.00 
                 19.29 
               
               
                 ATOM 
                 775 
                 CB 
                 PHE 
                 770 
                 22.596 
                 3.263 
                 −5.503 
                 1.00 
                 18.44 
               
               
                 ATOM 
                 776 
                 CG 
                 PHE 
                 770 
                 23.930 
                 2.757 
                 −4.996 
                 1.00 
                 16.41 
               
               
                 ATOM 
                 777 
                 CD1 
                 PHE 
                 770 
                 25.079 
                 3.546 
                 −5.053 
                 1.00 
                 14.52 
               
               
                 ATOM 
                 778 
                 CD2 
                 PHE 
                 770 
                 24.025 
                 1.468 
                 −4.459 
                 1.00 
                 14.96 
               
               
                 ATOM 
                 779 
                 CE1 
                 PHE 
                 770 
                 26.291 
                 3.070 
                 −4.588 
                 1.00 
                 13.39 
               
               
                 ATOM 
                 780 
                 CE2 
                 PHE 
                 770 
                 25.243 
                 0.979 
                 −3.983 
                 1.00 
                 13.90 
               
               
                 ATOM 
                 781 
                 CZ 
                 PHE 
                 770 
                 26.383 
                 1.786 
                 −4.050 
                 1.00 
                 13.96 
               
               
                 ATOM 
                 782 
                 C 
                 PHE 
                 770 
                 21.425 
                 4.134 
                 −7.473 
                 1.00 
                 19.41 
               
               
                 ATOM 
                 783 
                 O 
                 PHE 
                 770 
                 20.367 
                 4.583 
                 −7.054 
                 1.00 
                 19.74 
               
               
                 ATOM 
                 784 
                 N 
                 ASN 
                 771 
                 21.534 
                 3.474 
                 −8.611 
                 1.00 
                 20.33 
               
               
                 ATOM 
                 785 
                 CA 
                 ASN 
                 771 
                 20.363 
                 3.157 
                 −9.410 
                 1.00 
                 20.23 
               
               
                 ATOM 
                 786 
                 CB 
                 ASN 
                 771 
                 20.524 
                 3.593 
                 −10.864 
                 1.00 
                 19.33 
               
               
                 ATOM 
                 787 
                 CG 
                 ASN 
                 771 
                 21.883 
                 3.304 
                 −11.403 
                 1.00 
                 18.89 
               
               
                 ATOM 
                 788 
                 OD1 
                 ASN 
                 771 
                 22.574 
                 2.408 
                 −10.942 
                 1.00 
                 19.51 
               
               
                 ATOM 
                 789 
                 ND2 
                 ASN 
                 771 
                 22.289 
                 4.069 
                 −12.382 
                 1.00 
                 19.02 
               
               
                 ATOM 
                 790 
                 C 
                 ASN 
                 771 
                 20.278 
                 1.636 
                 −9.292 
                 1.00 
                 21.01 
               
               
                 ATOM 
                 791 
                 O 
                 ASN 
                 771 
                 21.129 
                 1.013 
                 −8.648 
                 1.00 
                 20.52 
               
               
                 ATOM 
                 792 
                 N 
                 GLU 
                 772 
                 19.258 
                 1.043 
                 −9.898 
                 1.00 
                 22.23 
               
               
                 ATOM 
                 793 
                 CA 
                 GLU 
                 772 
                 19.056 
                 −0.393 
                 −9.841 
                 1.00 
                 22.51 
               
               
                 ATOM 
                 794 
                 CB 
                 GLU 
                 772 
                 17.888 
                 −0.799 
                 −10.711 
                 1.00 
                 23.17 
               
               
                 ATOM 
                 795 
                 CG 
                 GLU 
                 772 
                 16.562 
                 −0.455 
                 −10.099 
                 1.00 
                 24.81 
               
               
                 ATOM 
                 796 
                 CD 
                 GLU 
                 772 
                 15.761 
                 −1.672 
                 −9.724 
                 1.00 
                 25.41 
               
               
                 ATOM 
                 797 
                 OE1 
                 GLU 
                 772 
                 14.624 
                 −1.488 
                 −9.252 
                 1.00 
                 25.33 
               
               
                 ATOM 
                 798 
                 OE2 
                 GLU 
                 772 
                 16.265 
                 −2.803 
                 −9.913 
                 1.00 
                 26.23 
               
               
                 ATOM 
                 799 
                 C 
                 GLU 
                 772 
                 20.282 
                 −1.102 
                 −10.303 
                 1.00 
                 22.96 
               
               
                 ATOM 
                 800 
                 O 
                 GLU 
                 772 
                 20.631 
                 −2.148 
                 −9.785 
                 1.00 
                 23.89 
               
               
                 ATOM 
                 801 
                 N 
                 TYR 
                 773 
                 20.961 
                 −0.531 
                 −11.276 
                 1.00 
                 22.51 
               
               
                 ATOM 
                 802 
                 CA 
                 TYR 
                 773 
                 22.158 
                 −1.164 
                 −11.748 
                 1.00 
                 22.55 
               
               
                 ATOM 
                 803 
                 CB 
                 TYR 
                 773 
                 22.640 
                 −0.492 
                 −13.018 
                 1.00 
                 22.84 
               
               
                 ATOM 
                 804 
                 CG 
                 TYR 
                 773 
                 23.825 
                 −1.191 
                 −13.593 
                 1.00 
                 22.80 
               
               
                 ATOM 
                 805 
                 CD1 
                 TYR 
                 773 
                 23.680 
                 −2.384 
                 −14.304 
                 1.00 
                 23.02 
               
               
                 ATOM 
                 806 
                 CE1 
                 TYR 
                 773 
                 24.791 
                 −3.041 
                 −14.837 
                 1.00 
                 23.77 
               
               
                 ATOM 
                 807 
                 CD2 
                 TYR 
                 773 
                 25.095 
                 −0.671 
                 −13.418 
                 1.00 
                 22.59 
               
               
                 ATOM 
                 808 
                 CE2 
                 TYR 
                 773 
                 26.198 
                 −1.309 
                 −13.938 
                 1.00 
                 24.43 
               
               
                 ATOM 
                 809 
                 CZ 
                 TYR 
                 773 
                 26.047 
                 −2.491 
                 −14.643 
                 1.00 
                 24.22 
               
               
                 ATOM 
                 810 
                 OH 
                 TYR 
                 773 
                 27.172 
                 −3.094 
                 −15.155 
                 1.00 
                 25.98 
               
               
                 ATOM 
                 811 
                 C 
                 TYR 
                 773 
                 23.254 
                 −1.167 
                 −10.680 
                 1.00 
                 23.17 
               
               
                 ATOM 
                 812 
                 O 
                 TYR 
                 773 
                 23.969 
                 −2.170 
                 −10.523 
                 1.00 
                 24.08 
               
               
                 ATOM 
                 813 
                 N 
                 ARG 
                 774 
                 23.432 
                 −0.044 
                 −9.982 
                 1.00 
                 22.85 
               
               
                 ATOM 
                 814 
                 CA 
                 ARG 
                 774 
                 24.427 
                 0.047 
                 −8.922 
                 1.00 
                 21.74 
               
               
                 ATOM 
                 815 
                 CB 
                 ARG 
                 774 
                 24.623 
                 1.487 
                 −8.494 
                 1.00 
                 22.23 
               
               
                 ATOM 
                 816 
                 CG 
                 ARG 
                 774 
                 26.026 
                 1.952 
                 −8.735 
                 1.00 
                 22.58 
               
               
                 ATOM 
                 817 
                 CD 
                 ARG 
                 774 
                 26.073 
                 3.066 
                 −9.756 
                 1.00 
                 23.92 
               
               
                 ATOM 
                 818 
                 NE 
                 ARG 
                 774 
                 26.048 
                 4.383 
                 −9.146 
                 1.00 
                 24.69 
               
               
                 ATOM 
                 819 
                 CZ 
                 ARG 
                 774 
                 26.961 
                 5.328 
                 −9.365 
                 1.00 
                 25.97 
               
               
                 ATOM 
                 820 
                 NH1 
                 ARG 
                 774 
                 27.982 
                 5.111 
                 −10.171 
                 1.00 
                 25.01 
               
               
                 ATOM 
                 821 
                 NH2 
                 ARG 
                 774 
                 26.837 
                 6.509 
                 −8.783 
                 1.00 
                 26.70 
               
               
                 ATOM 
                 822 
                 C 
                 ARG 
                 774 
                 23.976 
                 −0.796 
                 −7.743 
                 1.00 
                 21.36 
               
               
                 ATOM 
                 823 
                 O 
                 ARG 
                 774 
                 24.791 
                 −1.386 
                 −7.052 
                 1.00 
                 20.25 
               
               
                 ATOM 
                 824 
                 N 
                 MET 
                 775 
                 22.669 
                 −0.854 
                 −7.512 
                 1.00 
                 21.93 
               
               
                 ATOM 
                 825 
                 CA 
                 MET 
                 775 
                 22.136 
                 −1.681 
                 −6.439 
                 1.00 
                 23.85 
               
               
                 ATOM 
                 826 
                 CB 
                 MET 
                 775 
                 20.614 
                 −1.582 
                 −6.380 
                 1.00 
                 23.42 
               
               
                 ATOM 
                 827 
                 CG 
                 MET 
                 775 
                 20.121 
                 −0.241 
                 −5.955 
                 1.00 
                 23.46 
               
               
                 ATOM 
                 828 
                 SD 
                 MET 
                 775 
                 18.333 
                 −0.199 
                 −5.865 
                 1.00 
                 26.50 
               
               
                 ATOM 
                 829 
                 CE 
                 MET 
                 775 
                 17.909 
                 1.086 
                 −7.064 
                 1.00 
                 27.26 
               
               
                 ATOM 
                 830 
                 C 
                 MET 
                 775 
                 22.550 
                 −3.136 
                 −6.666 
                 1.00 
                 25.38 
               
               
                 ATOM 
                 831 
                 O 
                 MET 
                 775 
                 22.897 
                 −3.832 
                 −5.733 
                 1.00 
                 25.75 
               
               
                 ATOM 
                 832 
                 N 
                 HIS 
                 776 
                 22.507 
                 −3.593 
                 −7.912 
                 1.00 
                 27.39 
               
               
                 ATOM 
                 833 
                 CA 
                 HIS 
                 776 
                 22.891 
                 −4.954 
                 −8.262 
                 1.00 
                 28.41 
               
               
                 ATOM 
                 834 
                 CB 
                 HIS 
                 776 
                 22.418 
                 −5.302 
                 −9.684 
                 1.00 
                 29.01 
               
               
                 ATOM 
                 835 
                 CG 
                 HIS 
                 776 
                 22.639 
                 −6.738 
                 −10.067 
                 1.00 
                 30.57 
               
               
                 ATOM 
                 836 
                 CD2 
                 HIS 
                 776 
                 21.877 
                 −7.843 
                 −9.864 
                 1.00 
                 30.73 
               
               
                 ATOM 
                 837 
                 ND1 
                 HIS 
                 776 
                 23.764 
                 −7.168 
                 −10.739 
                 1.00 
                 30.81 
               
               
                 ATOM 
                 838 
                 CE1 
                 HIS 
                 776 
                 23.685 
                 −8.475 
                 −10.932 
                 1.00 
                 29.87 
               
               
                 ATOM 
                 839 
                 NE2 
                 HIS 
                 776 
                 22.551 
                 −8.907 
                 −10.411 
                 1.00 
                 29.53 
               
               
                 ATOM 
                 840 
                 C 
                 HIS 
                 776 
                 24.403 
                 −5.065 
                 −8.178 
                 1.00 
                 29.55 
               
               
                 ATOM 
                 841 
                 O 
                 HIS 
                 776 
                 24.923 
                 −5.865 
                 −7.414 
                 1.00 
                 30.12 
               
               
                 ATOM 
                 842 
                 N 
                 LYS 
                 777 
                 25.109 
                 −4.283 
                 −8.989 
                 1.00 
                 31.13 
               
               
                 ATOM 
                 843 
                 CA 
                 LYS 
                 777 
                 26.570 
                 −4.290 
                 −8.980 
                 1.00 
                 32.73 
               
               
                 ATOM 
                 844 
                 CB 
                 LYS 
                 777 
                 27.130 
                 −3.481 
                 −10.161 
                 1.00 
                 31.29 
               
               
                 ATOM 
                 845 
                 CG 
                 LYS 
                 777 
                 26.678 
                 −3.948 
                 −11.525 
                 1.00 
                 30.55 
               
               
                 ATOM 
                 846 
                 CD 
                 LYS 
                 777 
                 27.443 
                 −5.163 
                 −12.003 
                 1.00 
                 29.83 
               
               
                 ATOM 
                 847 
                 CE 
                 LYS 
                 777 
                 28.928 
                 −4.856 
                 −12.116 
                 1.00 
                 30.35 
               
               
                 ATOM 
                 848 
                 NZ 
                 LYS 
                 777 
                 29.631 
                 −5.860 
                 −12.983 
                 1.00 
                 30.53 
               
               
                 ATOM 
                 849 
                 C 
                 LYS 
                 777 
                 27.032 
                 −3.655 
                 −7.660 
                 1.00 
                 34.07 
               
               
                 ATOM 
                 850 
                 O 
                 LYS 
                 777 
                 27.382 
                 −2.478 
                 −7.611 
                 1.00 
                 36.43 
               
               
                 ATOM 
                 851 
                 N 
                 SER 
                 778 
                 26.995 
                 −4.437 
                 −6.596 
                 1.00 
                 33.74 
               
               
                 ATOM 
                 852 
                 CA 
                 SER 
                 778 
                 27.387 
                 −4.013 
                 −5.250 
                 1.00 
                 33.75 
               
               
                 ATOM 
                 853 
                 CB 
                 SER 
                 778 
                 26.593 
                 −2.789 
                 −4.769 
                 1.00 
                 33.69 
               
               
                 ATOM 
                 854 
                 OG 
                 SER 
                 778 
                 25.254 
                 −3.122 
                 −4.452 
                 1.00 
                 33.41 
               
               
                 ATOM 
                 855 
                 C 
                 SER 
                 778 
                 27.065 
                 −5.204 
                 −4.366 
                 1.00 
                 32.95 
               
               
                 ATOM 
                 856 
                 O 
                 SER 
                 778 
                 27.447 
                 −5.260 
                 −3.194 
                 1.00 
                 31.80 
               
               
                 ATOM 
                 857 
                 N 
                 ARG 
                 779 
                 26.344 
                 −6.149 
                 −4.974 
                 1.00 
                 32.09 
               
               
                 ATOM 
                 858 
                 CA 
                 ARG 
                 779 
                 25.926 
                 −7.386 
                 −4.347 
                 1.00 
                 31.15 
               
               
                 ATOM 
                 859 
                 CB 
                 ARG 
                 779 
                 27.161 
                 −8.256 
                 −4.071 
                 1.00 
                 30.74 
               
               
                 ATOM 
                 860 
                 CG 
                 ARG 
                 779 
                 28.065 
                 −8.415 
                 −5.299 
                 1.00 
                 28.19 
               
               
                 ATOM 
                 861 
                 CD 
                 ARG 
                 779 
                 29.338 
                 −9.182 
                 −4.997 
                 1.00 
                 26.90 
               
               
                 ATOM 
                 862 
                 NE 
                 ARG 
                 779 
                 30.284 
                 −9.129 
                 −6.117 
                 1.00 
                 26.55 
               
               
                 ATOM 
                 863 
                 CZ 
                 ARG 
                 779 
                 31.583 
                 −9.401 
                 −6.014 
                 1.00 
                 26.64 
               
               
                 ATOM 
                 864 
                 NH1 
                 ARG 
                 779 
                 32.091 
                 −9.753 
                 −4.846 
                 1.00 
                 27.87 
               
               
                 ATOM 
                 865 
                 NH2 
                 ARG 
                 779 
                 32.398 
                 −9.234 
                 −7.050 
                 1.00 
                 26.64 
               
               
                 ATOM 
                 866 
                 C 
                 ARG 
                 779 
                 25.128 
                 −7.063 
                 −3.084 
                 1.00 
                 30.75 
               
               
                 ATOM 
                 867 
                 O 
                 ARG 
                 779 
                 25.027 
                 −7.880 
                 −2.163 
                 1.00 
                 31.03 
               
               
                 ATOM 
                 868 
                 N 
                 MET 
                 780 
                 24.521 
                 −5.875 
                 −3.097 
                 1.00 
                 29.82 
               
               
                 ATOM 
                 869 
                 CA 
                 MET 
                 780 
                 23.721 
                 −5.381 
                 −1.990 
                 1.00 
                 29.36 
               
               
                 ATOM 
                 870 
                 CB 
                 MET 
                 780 
                 24.295 
                 −4.068 
                 −1.473 
                 1.00 
                 30.17 
               
               
                 ATOM 
                 871 
                 CG 
                 MET 
                 780 
                 25.194 
                 −4.191 
                 −0.277 
                 1.00 
                 30.12 
               
               
                 ATOM 
                 872 
                 SD 
                 MET 
                 780 
                 25.835 
                 −2.592 
                 0.168 
                 1.00 
                 31.24 
               
               
                 ATOM 
                 873 
                 CE 
                 MET 
                 780 
                 24.525 
                 −1.995 
                 1.114 
                 1.00 
                 31.13 
               
               
                 ATOM 
                 874 
                 C 
                 MET 
                 780 
                 22.262 
                 −5.165 
                 −2.331 
                 1.00 
                 29.21 
               
               
                 ATOM 
                 875 
                 O 
                 MET 
                 780 
                 21.542 
                 −4.505 
                 −1.566 
                 1.00 
                 29.43 
               
               
                 ATOM 
                 876 
                 N 
                 TYR 
                 781 
                 21.831 
                 −5.638 
                 −3.497 
                 1.00 
                 28.58 
               
               
                 ATOM 
                 877 
                 CA 
                 TYR 
                 781 
                 20.433 
                 −5.498 
                 −3.897 
                 1.00 
                 28.82 
               
               
                 ATOM 
                 878 
                 CB 
                 TYR 
                 781 
                 20.229 
                 −5.985 
                 −5.338 
                 1.00 
                 27.73 
               
               
                 ATOM 
                 879 
                 CG 
                 TYR 
                 781 
                 18.896 
                 −5.604 
                 −5.964 
                 1.00 
                 26.05 
               
               
                 ATOM 
                 880 
                 CD1 
                 TYR 
                 781 
                 18.847 
                 −4.861 
                 −7.140 
                 1.00 
                 25.95 
               
               
                 ATOM 
                 881 
                 CE1 
                 TYR 
                 781 
                 17.624 
                 −4.510 
                 −7.718 
                 1.00 
                 25.58 
               
               
                 ATOM 
                 882 
                 CD2 
                 TYR 
                 781 
                 17.686 
                 −5.984 
                 −5.382 
                 1.00 
                 25.08 
               
               
                 ATOM 
                 883 
                 CE2 
                 TYR 
                 781 
                 16.471 
                 −5.643 
                 −5.955 
                 1.00 
                 24.57 
               
               
                 ATOM 
                 884 
                 CZ 
                 TYR 
                 781 
                 16.446 
                 −4.904 
                 −7.115 
                 1.00 
                 24.77 
               
               
                 ATOM 
                 885 
                 OH 
                 TYR 
                 781 
                 15.238 
                 −4.572 
                 −7.668 
                 1.00 
                 24.60 
               
               
                 ATOM 
                 886 
                 C 
                 TYR 
                 781 
                 19.701 
                 −6.393 
                 −2.929 
                 1.00 
                 30.06 
               
               
                 ATOM 
                 887 
                 O 
                 TYR 
                 781 
                 19.984 
                 −7.589 
                 −2.856 
                 1.00 
                 32.08 
               
               
                 ATOM 
                 888 
                 N 
                 SER 
                 782 
                 18.730 
                 −5.821 
                 −2.235 
                 1.00 
                 30.74 
               
               
                 ATOM 
                 889 
                 CA 
                 SER 
                 782 
                 17.935 
                 −6.500 
                 −1.198 
                 1.00 
                 31.41 
               
               
                 ATOM 
                 890 
                 CB 
                 SER 
                 782 
                 18.551 
                 −7.836 
                 −0.726 
                 1.00 
                 32.82 
               
               
                 ATOM 
                 891 
                 OG 
                 SER 
                 782 
                 17.785 
                 −8.438 
                 0.308 
                 1.00 
                 35.91 
               
               
                 ATOM 
                 892 
                 C 
                 SER 
                 782 
                 18.027 
                 −5.483 
                 −0.070 
                 1.00 
                 30.50 
               
               
                 ATOM 
                 893 
                 O 
                 SER 
                 782 
                 17.044 
                 −4.807 
                 0.230 
                 1.00 
                 30.31 
               
               
                 ATOM 
                 894 
                 N 
                 GLN 
                 783 
                 19.242 
                 −5.287 
                 0.459 
                 1.00 
                 29.34 
               
               
                 ATOM 
                 895 
                 CA 
                 GLN 
                 783 
                 19.455 
                 −4.314 
                 1.522 
                 1.00 
                 28.01 
               
               
                 ATOM 
                 896 
                 CB 
                 GLN 
                 783 
                 20.900 
                 −4.309 
                 2.020 
                 1.00 
                 28.50 
               
               
                 ATOM 
                 897 
                 CG 
                 GLN 
                 783 
                 21.327 
                 −5.532 
                 2.805 
                 1.00 
                 29.62 
               
               
                 ATOM 
                 898 
                 CD 
                 GLN 
                 783 
                 21.790 
                 −6.634 
                 1.900 
                 1.00 
                 32.01 
               
               
                 ATOM 
                 899 
                 OE1 
                 GLN 
                 783 
                 21.486 
                 −6.621 
                 0.714 
                 1.00 
                 33.24 
               
               
                 ATOM 
                 900 
                 NE2 
                 GLN 
                 783 
                 22.547 
                 −7.587 
                 2.436 
                 1.00 
                 32.18 
               
               
                 ATOM 
                 901 
                 C 
                 GLN 
                 783 
                 19.089 
                 −2.963 
                 0.935 
                 1.00 
                 26.36 
               
               
                 ATOM 
                 902 
                 O 
                 GLN 
                 783 
                 18.342 
                 −2.211 
                 1.544 
                 1.00 
                 26.08 
               
               
                 ATOM 
                 903 
                 N 
                 CYS 
                 784 
                 19.538 
                 −2.698 
                 −0.290 
                 1.00 
                 25.49 
               
               
                 ATOM 
                 904 
                 CA 
                 CYS 
                 784 
                 19.212 
                 −1.439 
                 −0.956 
                 1.00 
                 24.45 
               
               
                 ATOM 
                 905 
                 CB 
                 CYS 
                 784 
                 19.951 
                 −1.312 
                 −2.294 
                 1.00 
                 22.82 
               
               
                 ATOM 
                 906 
                 SG 
                 CYS 
                 784 
                 21.746 
                 −0.989 
                 −2.120 
                 1.00 
                 18.24 
               
               
                 ATOM 
                 907 
                 C 
                 CYS 
                 784 
                 17.698 
                 −1.290 
                 −1.146 
                 1.00 
                 25.03 
               
               
                 ATOM 
                 908 
                 O 
                 CYS 
                 784 
                 17.155 
                 −0.183 
                 −1.044 
                 1.00 
                 25.67 
               
               
                 ATOM 
                 909 
                 N 
                 VAL 
                 785 
                 17.003 
                 −2.406 
                 −1.360 
                 1.00 
                 25.25 
               
               
                 ATOM 
                 910 
                 CA 
                 VAL 
                 785 
                 15.538 
                 −2.399 
                 −1.547 
                 1.00 
                 25.02 
               
               
                 ATOM 
                 911 
                 CB 
                 VAL 
                 785 
                 14.987 
                 −3.826 
                 −1.903 
                 1.00 
                 25.94 
               
               
                 ATOM 
                 912 
                 CG1 
                 VAL 
                 785 
                 13.457 
                 −3.901 
                 −1.710 
                 1.00 
                 26.21 
               
               
                 ATOM 
                 913 
                 CG2 
                 VAL 
                 785 
                 15.349 
                 −4.195 
                 −3.324 
                 1.00 
                 26.31 
               
               
                 ATOM 
                 914 
                 C 
                 VAL 
                 785 
                 14.864 
                 −1.979 
                 −0.257 
                 1.00 
                 23.91 
               
               
                 ATOM 
                 915 
                 O 
                 VAL 
                 785 
                 13.881 
                 −1.259 
                 −0.260 
                 1.00 
                 24.19 
               
               
                 ATOM 
                 916 
                 N 
                 ARG 
                 786 
                 15.402 
                 −2.455 
                 0.853 
                 1.00 
                 25.02 
               
               
                 ATOM 
                 917 
                 CA 
                 ARG 
                 786 
                 14.855 
                 −2.158 
                 2.165 
                 1.00 
                 25.39 
               
               
                 ATOM 
                 918 
                 CB 
                 ARG 
                 786 
                 15.468 
                 −3.114 
                 3.198 
                 1.00 
                 26.15 
               
               
                 ATOM 
                 919 
                 CG 
                 ARG 
                 786 
                 15.392 
                 −4.591 
                 2.748 
                 1.00 
                 28.30 
               
               
                 ATOM 
                 920 
                 CD 
                 ARG 
                 786 
                 15.314 
                 −5.583 
                 3.900 
                 1.00 
                 29.76 
               
               
                 ATOM 
                 921 
                 NE 
                 ARG 
                 786 
                 14.269 
                 −5.206 
                 4.851 
                 1.00 
                 32.39 
               
               
                 ATOM 
                 922 
                 CZ 
                 ARG 
                 786 
                 14.292 
                 −5.475 
                 6.157 
                 1.00 
                 32.41 
               
               
                 ATOM 
                 923 
                 NH1 
                 ARG 
                 786 
                 15.301 
                 −6.153 
                 6.701 
                 1.00 
                 32.09 
               
               
                 ATOM 
                 924 
                 NH2 
                 ARG 
                 786 
                 13.326 
                 −5.001 
                 6.932 
                 1.00 
                 33.31 
               
               
                 ATOM 
                 925 
                 C 
                 ARG 
                 786 
                 15.083 
                 −0.679 
                 2.520 
                 1.00 
                 24.71 
               
               
                 ATOM 
                 926 
                 O 
                 ARG 
                 786 
                 14.180 
                 −0.001 
                 3.030 
                 1.00 
                 25.52 
               
               
                 ATOM 
                 927 
                 N 
                 MET 
                 787 
                 16.246 
                 −0.146 
                 2.160 
                 1.00 
                 23.53 
               
               
                 ATOM 
                 928 
                 CA 
                 MET 
                 787 
                 16.548 
                 1.252 
                 2.463 
                 1.00 
                 22.11 
               
               
                 ATOM 
                 929 
                 CB 
                 MET 
                 787 
                 18.018 
                 1.528 
                 2.261 
                 1.00 
                 20.46 
               
               
                 ATOM 
                 930 
                 CG 
                 MET 
                 787 
                 18.883 
                 0.925 
                 3.314 
                 1.00 
                 17.04 
               
               
                 ATOM 
                 931 
                 SD 
                 MET 
                 787 
                 20.578 
                 0.861 
                 2.788 
                 1.00 
                 20.46 
               
               
                 ATOM 
                 932 
                 CE 
                 MET 
                 787 
                 21.285 
                 1.969 
                 3.729 
                 1.00 
                 20.07 
               
               
                 ATOM 
                 933 
                 C 
                 MET 
                 787 
                 15.736 
                 2.173 
                 1.588 
                 1.00 
                 23.39 
               
               
                 ATOM 
                 934 
                 O 
                 MET 
                 787 
                 15.387 
                 3.281 
                 1.997 
                 1.00 
                 24.11 
               
               
                 ATOM 
                 935 
                 N 
                 ARG 
                 788 
                 15.521 
                 1.752 
                 0.348 
                 1.00 
                 24.89 
               
               
                 ATOM 
                 936 
                 CA 
                 ARG 
                 788 
                 14.738 
                 2.499 
                 −0.625 
                 1.00 
                 26.29 
               
               
                 ATOM 
                 937 
                 CB 
                 ARG 
                 788 
                 14.833 
                 1.790 
                 −1.980 
                 1.00 
                 28.55 
               
               
                 ATOM 
                 938 
                 CG 
                 ARG 
                 788 
                 14.166 
                 2.474 
                 −3.174 
                 1.00 
                 32.52 
               
               
                 ATOM 
                 939 
                 CD 
                 ARG 
                 788 
                 14.217 
                 1.541 
                 −4.395 
                 1.00 
                 35.44 
               
               
                 ATOM 
                 940 
                 NE 
                 ARG 
                 788 
                 13.426 
                 1.996 
                 −5.540 
                 1.00 
                 39.11 
               
               
                 ATOM 
                 941 
                 CZ 
                 ARG 
                 788 
                 13.899 
                 2.177 
                 −6.783 
                 1.00 
                 41.32 
               
               
                 ATOM 
                 942 
                 NH1 
                 ARG 
                 788 
                 15.182 
                 1.960 
                 −7.081 
                 1.00 
                 41.94 
               
               
                 ATOM 
                 943 
                 NH2 
                 ARG 
                 788 
                 13.079 
                 2.567 
                 −7.754 
                 1.00 
                 41.48 
               
               
                 ATOM 
                 944 
                 C 
                 ARG 
                 788 
                 13.312 
                 2.475 
                 −0.090 
                 1.00 
                 26.13 
               
               
                 ATOM 
                 945 
                 O 
                 ARG 
                 788 
                 12.596 
                 3.473 
                 −0.146 
                 1.00 
                 26.50 
               
               
                 ATOM 
                 946 
                 N 
                 HIS 
                 789 
                 12.920 
                 1.339 
                 0.483 
                 1.00 
                 26.36 
               
               
                 ATOM 
                 947 
                 CA 
                 HIS 
                 789 
                 11.587 
                 1.173 
                 1.052 
                 1.00 
                 26.76 
               
               
                 ATOM 
                 948 
                 CB 
                 HIS 
                 789 
                 11.377 
                 −0.287 
                 1.479 
                 1.00 
                 29.07 
               
               
                 ATOM 
                 949 
                 CG 
                 HIS 
                 789 
                 9.970 
                 −0.609 
                 1.879 
                 1.00 
                 30.42 
               
               
                 ATOM 
                 950 
                 CD2 
                 HIS 
                 789 
                 8.890 
                 −0.944 
                 1.137 
                 1.00 
                 31.35 
               
               
                 ATOM 
                 951 
                 ND1 
                 HIS 
                 789 
                 9.538 
                 −0.567 
                 3.188 
                 1.00 
                 32.05 
               
               
                 ATOM 
                 952 
                 CE1 
                 HIS 
                 789 
                 8.249 
                 −0.856 
                 3.235 
                 1.00 
                 32.56 
               
               
                 ATOM 
                 953 
                 NE2 
                 HIS 
                 789 
                 7.831 
                 −1.087 
                 2.001 
                 1.00 
                 32.55 
               
               
                 ATOM 
                 954 
                 C 
                 HIS 
                 789 
                 11.369 
                 2.133 
                 2.231 
                 1.00 
                 26.08 
               
               
                 ATOM 
                 955 
                 O 
                 HIS 
                 789 
                 10.275 
                 2.671 
                 2.394 
                 1.00 
                 25.72 
               
               
                 ATOM 
                 956 
                 N 
                 LEU 
                 790 
                 12.413 
                 2.318 
                 3.048 
                 1.00 
                 25.92 
               
               
                 ATOM 
                 957 
                 CA 
                 LEU 
                 790 
                 12.433 
                 3.234 
                 4.218 
                 1.00 
                 25.41 
               
               
                 ATOM 
                 958 
                 CB 
                 LEU 
                 790 
                 13.811 
                 3.216 
                 4.887 
                 1.00 
                 23.94 
               
               
                 ATOM 
                 959 
                 CG 
                 LEU 
                 790 
                 14.039 
                 3.400 
                 6.383 
                 1.00 
                 23.32 
               
               
                 ATOM 
                 960 
                 CD1 
                 LEU 
                 790 
                 15.444 
                 3.930 
                 6.570 
                 1.00 
                 22.41 
               
               
                 ATOM 
                 961 
                 CD2 
                 LEU 
                 790 
                 13.047 
                 4.324 
                 7.014 
                 1.00 
                 23.17 
               
               
                 ATOM 
                 962 
                 C 
                 LEU 
                 790 
                 12.218 
                 4.654 
                 3.720 
                 1.00 
                 25.47 
               
               
                 ATOM 
                 963 
                 O 
                 LEU 
                 790 
                 11.359 
                 5.380 
                 4.216 
                 1.00 
                 25.06 
               
               
                 ATOM 
                 964 
                 N 
                 SER 
                 791 
                 13.040 
                 5.056 
                 2.757 
                 1.00 
                 25.60 
               
               
                 ATOM 
                 965 
                 CA 
                 SER 
                 791 
                 12.942 
                 6.375 
                 2.177 
                 1.00 
                 26.51 
               
               
                 ATOM 
                 966 
                 CB 
                 SER 
                 791 
                 13.851 
                 6.446 
                 0.973 
                 1.00 
                 28.35 
               
               
                 ATOM 
                 967 
                 OG 
                 SER 
                 791 
                 14.936 
                 5.559 
                 1.179 
                 1.00 
                 32.32 
               
               
                 ATOM 
                 968 
                 C 
                 SER 
                 791 
                 11.521 
                 6.561 
                 1.716 
                 1.00 
                 26.02 
               
               
                 ATOM 
                 969 
                 O 
                 SER 
                 791 
                 10.950 
                 7.632 
                 1.885 
                 1.00 
                 26.00 
               
               
                 ATOM 
                 970 
                 N 
                 GLN 
                 792 
                 10.964 
                 5.505 
                 1.122 
                 1.00 
                 26.31 
               
               
                 ATOM 
                 971 
                 CA 
                 GLN 
                 792 
                 9.600 
                 5.526 
                 0.610 
                 1.00 
                 26.32 
               
               
                 ATOM 
                 972 
                 CB 
                 GLN 
                 792 
                 9.237 
                 4.200 
                 −0.112 
                 1.00 
                 28.65 
               
               
                 ATOM 
                 973 
                 CG 
                 GLN 
                 792 
                 9.700 
                 4.109 
                 −1.603 
                 1.00 
                 30.43 
               
               
                 ATOM 
                 974 
                 CD 
                 GLN 
                 792 
                 9.421 
                 2.749 
                 −2.277 
                 1.00 
                 31.95 
               
               
                 ATOM 
                 975 
                 OE1 
                 GLN 
                 792 
                 8.479 
                 2.607 
                 −3.062 
                 1.00 
                 33.53 
               
               
                 ATOM 
                 976 
                 NE2 
                 GLN 
                 792 
                 10.273 
                 1.764 
                 −2.007 
                 1.00 
                 32.31 
               
               
                 ATOM 
                 977 
                 C 
                 GLN 
                 792 
                 8.629 
                 5.836 
                 1.721 
                 1.00 
                 24.88 
               
               
                 ATOM 
                 978 
                 O 
                 GLN 
                 792 
                 7.702 
                 6.610 
                 1.528 
                 1.00 
                 24.96 
               
               
                 ATOM 
                 979 
                 N 
                 GLU 
                 793 
                 8.886 
                 5.301 
                 2.907 
                 1.00 
                 23.72 
               
               
                 ATOM 
                 980 
                 CA 
                 GLU 
                 793 
                 8.014 
                 5.550 
                 4.051 
                 1.00 
                 22.89 
               
               
                 ATOM 
                 981 
                 CB 
                 GLU 
                 793 
                 8.460 
                 4.728 
                 5.273 
                 1.00 
                 23.65 
               
               
                 ATOM 
                 982 
                 CG 
                 GLU 
                 793 
                 8.555 
                 3.199 
                 5.055 
                 1.00 
                 25.18 
               
               
                 ATOM 
                 983 
                 CD 
                 GLU 
                 793 
                 7.383 
                 2.406 
                 5.651 
                 1.00 
                 27.08 
               
               
                 ATOM 
                 984 
                 OE1 
                 GLU 
                 793 
                 6.207 
                 2.735 
                 5.351 
                 1.00 
                 25.97 
               
               
                 ATOM 
                 985 
                 OE2 
                 GLU 
                 793 
                 7.648 
                 1.450 
                 6.433 
                 1.00 
                 28.69 
               
               
                 ATOM 
                 986 
                 C 
                 GLU 
                 793 
                 7.949 
                 7.041 
                 4.400 
                 1.00 
                 21.58 
               
               
                 ATOM 
                 987 
                 O 
                 GLU 
                 793 
                 6.903 
                 7.530 
                 4.764 
                 1.00 
                 21.52 
               
               
                 ATOM 
                 988 
                 N 
                 PHE 
                 794 
                 9.042 
                 7.784 
                 4.274 
                 1.00 
                 21.26 
               
               
                 ATOM 
                 989 
                 CA 
                 PHE 
                 794 
                 8.999 
                 9.208 
                 4.598 
                 1.00 
                 20.65 
               
               
                 ATOM 
                 990 
                 CB 
                 PHE 
                 794 
                 10.334 
                 9.890 
                 4.323 
                 1.00 
                 19.81 
               
               
                 ATOM 
                 991 
                 CG 
                 PHE 
                 794 
                 11.413 
                 9.541 
                 5.304 
                 1.00 
                 19.96 
               
               
                 ATOM 
                 992 
                 CD1 
                 PHE 
                 794 
                 11.226 
                 9.728 
                 6.662 
                 1.00 
                 20.01 
               
               
                 ATOM 
                 993 
                 CD2 
                 PHE 
                 794 
                 12.599 
                 8.974 
                 4.878 
                 1.00 
                 19.43 
               
               
                 ATOM 
                 994 
                 CE1 
                 PHE 
                 794 
                 12.206 
                 9.347 
                 7.566 
                 1.00 
                 19.86 
               
               
                 ATOM 
                 995 
                 CE2 
                 PHE 
                 794 
                 13.570 
                 8.593 
                 5.787 
                 1.00 
                 18.95 
               
               
                 ATOM 
                 996 
                 CZ 
                 PHE 
                 794 
                 13.374 
                 8.777 
                 7.118 
                 1.00 
                 19.37 
               
               
                 ATOM 
                 997 
                 C 
                 PHE 
                 794 
                 7.929 
                 9.863 
                 3.759 
                 1.00 
                 22.26 
               
               
                 ATOM 
                 998 
                 O 
                 PHE 
                 794 
                 7.387 
                 10.906 
                 4.138 
                 1.00 
                 22.19 
               
               
                 ATOM 
                 999 
                 N 
                 GLY 
                 795 
                 7.688 
                 9.270 
                 2.585 
                 1.00 
                 23.81 
               
               
                 ATOM 
                 1000 
                 CA 
                 GLY 
                 795 
                 6.676 
                 9.750 
                 1.662 
                 1.00 
                 25.46 
               
               
                 ATOM 
                 1001 
                 C 
                 GLY 
                 795 
                 5.309 
                 9.232 
                 2.037 
                 1.00 
                 26.19 
               
               
                 ATOM 
                 1002 
                 O 
                 GLY 
                 795 
                 4.414 
                 10.002 
                 2.345 
                 1.00 
                 27.46 
               
               
                 ATOM 
                 1003 
                 N 
                 TRP 
                 796 
                 5.181 
                 7.912 
                 2.081 
                 1.00 
                 27.45 
               
               
                 ATOM 
                 1004 
                 CA 
                 TRP 
                 796 
                 3.931 
                 7.239 
                 2.428 
                 1.00 
                 28.24 
               
               
                 ATOM 
                 1005 
                 CB 
                 TRP 
                 796 
                 4.135 
                 5.697 
                 2.542 
                 1.00 
                 27.71 
               
               
                 ATOM 
                 1006 
                 CG 
                 TRP 
                 796 
                 4.478 
                 4.998 
                 1.187 
                 1.00 
                 27.50 
               
               
                 ATOM 
                 1007 
                 CD2 
                 TRP 
                 796 
                 5.208 
                 3.763 
                 0.985 
                 1.00 
                 26.97 
               
               
                 ATOM 
                 1008 
                 CE2 
                 TRP 
                 796 
                 5.312 
                 3.556 
                 −0.417 
                 1.00 
                 26.72 
               
               
                 ATOM 
                 1009 
                 CE3 
                 TRP 
                 796 
                 5.777 
                 2.816 
                 1.845 
                 1.00 
                 25.52 
               
               
                 ATOM 
                 1010 
                 CD1 
                 TRP 
                 796 
                 4.177 
                 5.460 
                 −0.079 
                 1.00 
                 27.17 
               
               
                 ATOM 
                 1011 
                 NE1 
                 TRP 
                 796 
                 4.676 
                 4.601 
                 −1.035 
                 1.00 
                 27.59 
               
               
                 ATOM 
                 1012 
                 CZ2 
                 TRP 
                 796 
                 5.967 
                 2.448 
                 −0.970 
                 1.00 
                 25.70 
               
               
                 ATOM 
                 1013 
                 CZ3 
                 TRP 
                 796 
                 6.427 
                 1.714 
                 1.290 
                 1.00 
                 25.51 
               
               
                 ATOM 
                 1014 
                 CH2 
                 TRP 
                 796 
                 6.514 
                 1.543 
                 −0.106 
                 1.00 
                 25.42 
               
               
                 ATOM 
                 1015 
                 C 
                 TRP 
                 796 
                 3.345 
                 7.826 
                 3.706 
                 1.00 
                 29.13 
               
               
                 ATOM 
                 1016 
                 O 
                 TRP 
                 796 
                 2.132 
                 8.026 
                 3.801 
                 1.00 
                 29.87 
               
               
                 ATOM 
                 1017 
                 N 
                 LEU 
                 797 
                 4.223 
                 8.212 
                 4.632 
                 1.00 
                 29.96 
               
               
                 ATOM 
                 1018 
                 CA 
                 LEU 
                 797 
                 3.816 
                 8.768 
                 5.923 
                 1.00 
                 29.80 
               
               
                 ATOM 
                 1019 
                 CB 
                 LEU 
                 797 
                 4.692 
                 8.223 
                 7.061 
                 1.00 
                 28.43 
               
               
                 ATOM 
                 1020 
                 CG 
                 LEU 
                 797 
                 4.552 
                 6.736 
                 7.383 
                 1.00 
                 27.68 
               
               
                 ATOM 
                 1021 
                 CD1 
                 LEU 
                 797 
                 5.709 
                 6.269 
                 8.228 
                 1.00 
                 27.20 
               
               
                 ATOM 
                 1022 
                 CD2 
                 LEU 
                 797 
                 3.216 
                 6.470 
                 8.058 
                 1.00 
                 26.62 
               
               
                 ATOM 
                 1023 
                 C 
                 LEU 
                 797 
                 3.864 
                 10.260 
                 5.991 
                 1.00 
                 30.39 
               
               
                 ATOM 
                 1024 
                 O 
                 LEU 
                 797 
                 3.447 
                 10.827 
                 6.983 
                 1.00 
                 32.25 
               
               
                 ATOM 
                 1025 
                 N 
                 GLN 
                 798 
                 4.415 
                 10.908 
                 4.978 
                 1.00 
                 31.03 
               
               
                 ATOM 
                 1026 
                 CA 
                 GLN 
                 798 
                 4.518 
                 12.360 
                 5.005 
                 1.00 
                 30.93 
               
               
                 ATOM 
                 1027 
                 CB 
                 GLN 
                 798 
                 3.117 
                 13.030 
                 4.964 
                 1.00 
                 31.58 
               
               
                 ATOM 
                 1028 
                 CG 
                 GLN 
                 798 
                 2.253 
                 12.757 
                 3.701 
                 1.00 
                 32.86 
               
               
                 ATOM 
                 1029 
                 CD 
                 GLN 
                 798 
                 0.944 
                 13.580 
                 3.633 
                 1.00 
                 32.89 
               
               
                 ATOM 
                 1030 
                 OE1 
                 GLN 
                 798 
                 0.342 
                 13.933 
                 4.648 
                 1.00 
                 33.16 
               
               
                 ATOM 
                 1031 
                 NE2 
                 GLN 
                 798 
                 0.521 
                 13.892 
                 2.421 
                 1.00 
                 33.46 
               
               
                 ATOM 
                 1032 
                 C 
                 GLN 
                 798 
                 5.267 
                 12.764 
                 6.294 
                 1.00 
                 30.02 
               
               
                 ATOM 
                 1033 
                 O 
                 GLN 
                 798 
                 4.716 
                 13.460 
                 7.147 
                 1.00 
                 30.51 
               
               
                 ATOM 
                 1034 
                 N 
                 ILE 
                 799 
                 6.497 
                 12.283 
                 6.462 
                 1.00 
                 28.60 
               
               
                 ATOM 
                 1035 
                 CA 
                 ILE 
                 799 
                 7.277 
                 12.634 
                 7.648 
                 1.00 
                 27.76 
               
               
                 ATOM 
                 1036 
                 CB 
                 ILE 
                 799 
                 8.546 
                 11.747 
                 7.829 
                 1.00 
                 26.34 
               
               
                 ATOM 
                 1037 
                 CG2 
                 ILE 
                 799 
                 9.382 
                 12.246 
                 9.007 
                 1.00 
                 25.78 
               
               
                 ATOM 
                 1038 
                 CG1 
                 ILE 
                 799 
                 8.168 
                 10.286 
                 8.046 
                 1.00 
                 25.57 
               
               
                 ATOM 
                 1039 
                 CD1 
                 ILE 
                 799 
                 7.271 
                 10.063 
                 9.211 
                 1.00 
                 25.52 
               
               
                 ATOM 
                 1040 
                 C 
                 ILE 
                 799 
                 7.729 
                 14.094 
                 7.552 
                 1.00 
                 28.59 
               
               
                 ATOM 
                 1041 
                 O 
                 ILE 
                 799 
                 8.181 
                 14.552 
                 6.496 
                 1.00 
                 29.81 
               
               
                 ATOM 
                 1042 
                 N 
                 THR 
                 800 
                 7.610 
                 14.790 
                 8.678 
                 1.00 
                 28.71 
               
               
                 ATOM 
                 1043 
                 CA 
                 THR 
                 800 
                 7.967 
                 16.197 
                 8.874 
                 1.00 
                 28.68 
               
               
                 ATOM 
                 1044 
                 CB 
                 THR 
                 800 
                 7.202 
                 16.718 
                 10.142 
                 1.00 
                 29.24 
               
               
                 ATOM 
                 1045 
                 OG1 
                 THR 
                 800 
                 5.839 
                 17.003 
                 9.815 
                 1.00 
                 31.49 
               
               
                 ATOM 
                 1046 
                 CG2 
                 THR 
                 800 
                 7.824 
                 17.925 
                 10.746 
                 1.00 
                 29.69 
               
               
                 ATOM 
                 1047 
                 C 
                 THR 
                 800 
                 9.475 
                 16.347 
                 9.116 
                 1.00 
                 28.69 
               
               
                 ATOM 
                 1048 
                 O 
                 THR 
                 800 
                 10.069 
                 15.510 
                 9.796 
                 1.00 
                 29.15 
               
               
                 ATOM 
                 1049 
                 N 
                 PRO 
                 801 
                 10.116 
                 17.407 
                 8.565 
                 1.00 
                 28.18 
               
               
                 ATOM 
                 1050 
                 CD 
                 PRO 
                 801 
                 9.618 
                 18.376 
                 7.569 
                 1.00 
                 27.62 
               
               
                 ATOM 
                 1051 
                 CA 
                 PRO 
                 801 
                 11.555 
                 17.600 
                 8.780 
                 1.00 
                 27.74 
               
               
                 ATOM 
                 1052 
                 CB 
                 PRO 
                 801 
                 11.797 
                 18.983 
                 8.178 
                 1.00 
                 27.08 
               
               
                 ATOM 
                 1053 
                 CG 
                 PRO 
                 801 
                 10.908 
                 18.956 
                 7.002 
                 1.00 
                 26.58 
               
               
                 ATOM 
                 1054 
                 C 
                 PRO 
                 801 
                 11.907 
                 17.570 
                 10.271 
                 1.00 
                 27.38 
               
               
                 ATOM 
                 1055 
                 O 
                 PRO 
                 801 
                 12.981 
                 17.101 
                 10.666 
                 1.00 
                 27.75 
               
               
                 ATOM 
                 1056 
                 N 
                 GLN 
                 802 
                 10.982 
                 18.045 
                 11.095 
                 1.00 
                 27.01 
               
               
                 ATOM 
                 1057 
                 CA 
                 GLN 
                 802 
                 11.189 
                 18.079 
                 12.542 
                 1.00 
                 26.73 
               
               
                 ATOM 
                 1058 
                 CB 
                 GLN 
                 802 
                 10.316 
                 19.162 
                 13.192 
                 1.00 
                 28.09 
               
               
                 ATOM 
                 1059 
                 CG 
                 GLN 
                 802 
                 10.582 
                 20.596 
                 12.692 
                 1.00 
                 29.79 
               
               
                 ATOM 
                 1060 
                 CD 
                 GLN 
                 802 
                 9.997 
                 20.900 
                 11.303 
                 1.00 
                 30.48 
               
               
                 ATOM 
                 1061 
                 OE1 
                 GLN 
                 802 
                 8.948 
                 20.381 
                 10.918 
                 1.00 
                 30.36 
               
               
                 ATOM 
                 1062 
                 NE2 
                 GLN 
                 802 
                 10.660 
                 21.782 
                 10.571 
                 1.00 
                 30.57 
               
               
                 ATOM 
                 1063 
                 C 
                 GLN 
                 802 
                 10.968 
                 16.715 
                 13.219 
                 1.00 
                 24.81 
               
               
                 ATOM 
                 1064 
                 O 
                 GLN 
                 802 
                 11.599 
                 16.415 
                 14.222 
                 1.00 
                 24.41 
               
               
                 ATOM 
                 1065 
                 N 
                 GLU 
                 803 
                 10.064 
                 15.904 
                 12.669 
                 1.00 
                 23.52 
               
               
                 ATOM 
                 1066 
                 CA 
                 GLU 
                 803 
                 9.797 
                 14.558 
                 13.196 
                 1.00 
                 21.64 
               
               
                 ATOM 
                 1067 
                 CB 
                 GLU 
                 803 
                 8.632 
                 13.897 
                 12.459 
                 1.00 
                 20.29 
               
               
                 ATOM 
                 1068 
                 CG 
                 GLU 
                 803 
                 7.277 
                 14.434 
                 12.848 
                 1.00 
                 18.44 
               
               
                 ATOM 
                 1069 
                 CD 
                 GLU 
                 803 
                 6.147 
                 13.786 
                 12.119 
                 1.00 
                 17.84 
               
               
                 ATOM 
                 1070 
                 OE1 
                 GLU 
                 803 
                 6.308 
                 13.392 
                 10.958 
                 1.00 
                 18.19 
               
               
                 ATOM 
                 1071 
                 OE2 
                 GLU 
                 803 
                 5.065 
                 13.680 
                 12.704 
                 1.00 
                 19.88 
               
               
                 ATOM 
                 1072 
                 C 
                 GLU 
                 803 
                 11.067 
                 13.784 
                 12.923 
                 1.00 
                 21.04 
               
               
                 ATOM 
                 1073 
                 O 
                 GLU 
                 803 
                 11.537 
                 13.042 
                 13.777 
                 1.00 
                 20.89 
               
               
                 ATOM 
                 1074 
                 N 
                 PHE 
                 804 
                 11.612 
                 14.001 
                 11.722 
                 1.00 
                 19.87 
               
               
                 ATOM 
                 1075 
                 CA 
                 PHE 
                 804 
                 12.863 
                 13.418 
                 11.254 
                 1.00 
                 19.24 
               
               
                 ATOM 
                 1076 
                 CB 
                 PHE 
                 804 
                 13.144 
                 13.867 
                 9.822 
                 1.00 
                 17.23 
               
               
                 ATOM 
                 1077 
                 CG 
                 PHE 
                 804 
                 14.557 
                 13.645 
                 9.384 
                 1.00 
                 14.85 
               
               
                 ATOM 
                 1078 
                 CD1 
                 PHE 
                 804 
                 15.012 
                 12.380 
                 9.095 
                 1.00 
                 13.76 
               
               
                 ATOM 
                 1079 
                 CD2 
                 PHE 
                 804 
                 15.440 
                 14.706 
                 9.301 
                 1.00 
                 13.69 
               
               
                 ATOM 
                 1080 
                 CE1 
                 PHE 
                 804 
                 16.335 
                 12.160 
                 8.729 
                 1.00 
                 13.79 
               
               
                 ATOM 
                 1081 
                 CE2 
                 PHE 
                 804 
                 16.765 
                 14.496 
                 8.936 
                 1.00 
                 13.36 
               
               
                 ATOM 
                 1082 
                 CZ 
                 PHE 
                 804 
                 17.214 
                 13.217 
                 8.647 
                 1.00 
                 12.84 
               
               
                 ATOM 
                 1083 
                 C 
                 PHE 
                 804 
                 14.034 
                 13.802 
                 12.157 
                 1.00 
                 20.31 
               
               
                 ATOM 
                 1084 
                 O 
                 PHE 
                 804 
                 14.807 
                 12.939 
                 12.564 
                 1.00 
                 21.30 
               
               
                 ATOM 
                 1085 
                 N 
                 LEU 
                 805 
                 14.187 
                 15.086 
                 12.463 
                 1.00 
                 20.30 
               
               
                 ATOM 
                 1086 
                 CA 
                 LEU 
                 805 
                 15.271 
                 15.503 
                 13.339 
                 1.00 
                 20.09 
               
               
                 ATOM 
                 1087 
                 CB 
                 LEU 
                 805 
                 15.250 
                 17.008 
                 13.582 
                 1.00 
                 19.58 
               
               
                 ATOM 
                 1088 
                 CG 
                 LEU 
                 805 
                 15.552 
                 17.834 
                 12.330 
                 1.00 
                 20.47 
               
               
                 ATOM 
                 1089 
                 CD1 
                 LEU 
                 805 
                 15.704 
                 19.281 
                 12.707 
                 1.00 
                 19.84 
               
               
                 ATOM 
                 1090 
                 CD2 
                 LEU 
                 805 
                 16.816 
                 17.343 
                 11.670 
                 1.00 
                 19.41 
               
               
                 ATOM 
                 1091 
                 C 
                 LEU 
                 805 
                 15.172 
                 14.767 
                 14.651 
                 1.00 
                 19.83 
               
               
                 ATOM 
                 1092 
                 O 
                 LEU 
                 805 
                 16.142 
                 14.205 
                 15.106 
                 1.00 
                 20.77 
               
               
                 ATOM 
                 1093 
                 N 
                 CYS 
                 806 
                 13.980 
                 14.719 
                 15.223 
                 1.00 
                 20.17 
               
               
                 ATOM 
                 1094 
                 CA 
                 CYS 
                 806 
                 13.765 
                 14.026 
                 16.494 
                 1.00 
                 21.27 
               
               
                 ATOM 
                 1095 
                 CB 
                 CYS 
                 806 
                 12.372 
                 14.332 
                 17.078 
                 1.00 
                 22.13 
               
               
                 ATOM 
                 1096 
                 SG 
                 CYS 
                 806 
                 12.142 
                 16.017 
                 17.706 
                 1.00 
                 27.50 
               
               
                 ATOM 
                 1097 
                 C 
                 CYS 
                 806 
                 13.938 
                 12.515 
                 16.378 
                 1.00 
                 20.36 
               
               
                 ATOM 
                 1098 
                 O 
                 CYS 
                 806 
                 14.575 
                 11.904 
                 17.241 
                 1.00 
                 20.30 
               
               
                 ATOM 
                 1099 
                 N 
                 MET 
                 807 
                 13.348 
                 11.903 
                 15.350 
                 1.00 
                 19.67 
               
               
                 ATOM 
                 1100 
                 CA 
                 MET 
                 807 
                 13.491 
                 10.458 
                 15.160 
                 1.00 
                 18.10 
               
               
                 ATOM 
                 1101 
                 CB 
                 MET 
                 807 
                 12.668 
                 9.944 
                 13.989 
                 1.00 
                 17.25 
               
               
                 ATOM 
                 1102 
                 CG 
                 MET 
                 807 
                 11.195 
                 9.877 
                 14.279 
                 1.00 
                 16.70 
               
               
                 ATOM 
                 1103 
                 SD 
                 MET 
                 807 
                 10.377 
                 9.142 
                 12.911 
                 1.00 
                 19.42 
               
               
                 ATOM 
                 1104 
                 CE 
                 MET 
                 807 
                 10.144 
                 10.560 
                 11.908 
                 1.00 
                 16.21 
               
               
                 ATOM 
                 1105 
                 C 
                 MET 
                 807 
                 14.947 
                 10.062 
                 14.979 
                 1.00 
                 17.75 
               
               
                 ATOM 
                 1106 
                 O 
                 MET 
                 807 
                 15.371 
                 9.038 
                 15.490 
                 1.00 
                 18.41 
               
               
                 ATOM 
                 1107 
                 N 
                 LYS 
                 808 
                 15.712 
                 10.871 
                 14.257 
                 1.00 
                 17.31 
               
               
                 ATOM 
                 1108 
                 CA 
                 LYS 
                 808 
                 17.116 
                 10.592 
                 14.054 
                 1.00 
                 16.27 
               
               
                 ATOM 
                 1109 
                 CB 
                 LYS 
                 808 
                 17.729 
                 11.514 
                 12.994 
                 1.00 
                 15.01 
               
               
                 ATOM 
                 1110 
                 CG 
                 LYS 
                 808 
                 19.171 
                 11.154 
                 12.733 
                 1.00 
                 14.63 
               
               
                 ATOM 
                 1111 
                 CD 
                 LYS 
                 808 
                 19.679 
                 11.569 
                 11.371 
                 1.00 
                 15.42 
               
               
                 ATOM 
                 1112 
                 CE 
                 LYS 
                 808 
                 19.422 
                 13.053 
                 11.092 
                 1.00 
                 15.64 
               
               
                 ATOM 
                 1113 
                 NZ 
                 LYS 
                 808 
                 20.232 
                 13.940 
                 11.928 
                 1.00 
                 14.15 
               
               
                 ATOM 
                 1114 
                 C 
                 LYS 
                 808 
                 17.857 
                 10.726 
                 15.376 
                 1.00 
                 16.89 
               
               
                 ATOM 
                 1115 
                 O 
                 LYS 
                 808 
                 18.731 
                 9.908 
                 15.677 
                 1.00 
                 16.07 
               
               
                 ATOM 
                 1116 
                 N 
                 ALA 
                 809 
                 17.522 
                 11.747 
                 16.166 
                 1.00 
                 16.53 
               
               
                 ATOM 
                 1117 
                 CA 
                 ALA 
                 809 
                 18.175 
                 11.931 
                 17.461 
                 1.00 
                 17.68 
               
               
                 ATOM 
                 1118 
                 CB 
                 ALA 
                 809 
                 17.628 
                 13.139 
                 18.155 
                 1.00 
                 16.91 
               
               
                 ATOM 
                 1119 
                 C 
                 ALA 
                 809 
                 17.989 
                 10.691 
                 18.348 
                 1.00 
                 19.03 
               
               
                 ATOM 
                 1120 
                 O 
                 ALA 
                 809 
                 18.932 
                 10.207 
                 18.996 
                 1.00 
                 20.50 
               
               
                 ATOM 
                 1121 
                 N 
                 LEU 
                 810 
                 16.766 
                 10.184 
                 18.392 
                 1.00 
                 19.36 
               
               
                 ATOM 
                 1122 
                 CA 
                 LEU 
                 810 
                 16.459 
                 9.011 
                 19.186 
                 1.00 
                 18.99 
               
               
                 ATOM 
                 1123 
                 CB 
                 LEU 
                 810 
                 14.966 
                 8.811 
                 19.263 
                 1.00 
                 19.09 
               
               
                 ATOM 
                 1124 
                 CG 
                 LEU 
                 810 
                 14.406 
                 9.020 
                 20.651 
                 1.00 
                 20.20 
               
               
                 ATOM 
                 1125 
                 CD1 
                 LEU 
                 810 
                 12.954 
                 8.606 
                 20.594 
                 1.00 
                 21.29 
               
               
                 ATOM 
                 1126 
                 CD2 
                 LEU 
                 810 
                 15.176 
                 8.199 
                 21.674 
                 1.00 
                 18.75 
               
               
                 ATOM 
                 1127 
                 C 
                 LEU 
                 810 
                 17.116 
                 7.716 
                 18.722 
                 1.00 
                 18.88 
               
               
                 ATOM 
                 1128 
                 O 
                 LEU 
                 810 
                 17.213 
                 6.780 
                 19.509 
                 1.00 
                 20.78 
               
               
                 ATOM 
                 1129 
                 N 
                 LEU 
                 811 
                 17.537 
                 7.636 
                 17.456 
                 1.00 
                 17.63 
               
               
                 ATOM 
                 1130 
                 CA 
                 LEU 
                 811 
                 18.215 
                 6.447 
                 16.959 
                 1.00 
                 15.58 
               
               
                 ATOM 
                 1131 
                 CB 
                 LEU 
                 811 
                 18.346 
                 6.456 
                 15.438 
                 1.00 
                 14.70 
               
               
                 ATOM 
                 1132 
                 CG 
                 LEU 
                 811 
                 17.148 
                 6.107 
                 14.574 
                 1.00 
                 14.14 
               
               
                 ATOM 
                 1133 
                 CD1 
                 LEU 
                 811 
                 17.511 
                 6.408 
                 13.164 
                 1.00 
                 13.66 
               
               
                 ATOM 
                 1134 
                 CD2 
                 LEU 
                 811 
                 16.744 
                 4.632 
                 14.746 
                 1.00 
                 13.62 
               
               
                 ATOM 
                 1135 
                 C 
                 LEU 
                 811 
                 19.598 
                 6.328 
                 17.582 
                 1.00 
                 15.42 
               
               
                 ATOM 
                 1136 
                 O 
                 LEU 
                 811 
                 20.189 
                 5.252 
                 17.554 
                 1.00 
                 17.27 
               
               
                 ATOM 
                 1137 
                 N 
                 LEU 
                 812 
                 20.153 
                 7.429 
                 18.084 
                 1.00 
                 13.97 
               
               
                 ATOM 
                 1138 
                 CA 
                 LEU 
                 812 
                 21.455 
                 7.373 
                 18.734 
                 1.00 
                 12.94 
               
               
                 ATOM 
                 1139 
                 CB 
                 LEU 
                 812 
                 22.004 
                 8.790 
                 18.937 
                 1.00 
                 12.69 
               
               
                 ATOM 
                 1140 
                 CG 
                 LEU 
                 812 
                 23.342 
                 8.893 
                 19.670 
                 1.00 
                 12.03 
               
               
                 ATOM 
                 1141 
                 CD1 
                 LEU 
                 812 
                 24.488 
                 8.422 
                 18.802 
                 1.00 
                 12.16 
               
               
                 ATOM 
                 1142 
                 CD2 
                 LEU 
                 812 
                 23.559 
                 10.325 
                 20.037 
                 1.00 
                 13.12 
               
               
                 ATOM 
                 1143 
                 C 
                 LEU 
                 812 
                 21.330 
                 6.658 
                 20.098 
                 1.00 
                 12.97 
               
               
                 ATOM 
                 1144 
                 O 
                 LEU 
                 812 
                 22.282 
                 6.118 
                 20.629 
                 1.00 
                 12.99 
               
               
                 ATOM 
                 1145 
                 N 
                 PHE 
                 813 
                 20.136 
                 6.681 
                 20.662 
                 1.00 
                 13.55 
               
               
                 ATOM 
                 1146 
                 CA 
                 PHE 
                 813 
                 19.859 
                 6.064 
                 21.950 
                 1.00 
                 14.19 
               
               
                 ATOM 
                 1147 
                 CB 
                 PHE 
                 813 
                 19.137 
                 7.088 
                 22.821 
                 1.00 
                 15.20 
               
               
                 ATOM 
                 1148 
                 CG 
                 PHE 
                 813 
                 19.818 
                 8.435 
                 22.841 
                 1.00 
                 16.11 
               
               
                 ATOM 
                 1149 
                 CD1 
                 PHE 
                 813 
                 20.946 
                 8.640 
                 23.624 
                 1.00 
                 15.97 
               
               
                 ATOM 
                 1150 
                 CD2 
                 PHE 
                 813 
                 19.349 
                 9.472 
                 22.036 
                 1.00 
                 16.07 
               
               
                 ATOM 
                 1151 
                 CE1 
                 PHE 
                 813 
                 21.604 
                 9.845 
                 23.615 
                 1.00 
                 18.37 
               
               
                 ATOM 
                 1152 
                 CE2 
                 PHE 
                 813 
                 19.991 
                 10.687 
                 22.014 
                 1.00 
                 17.54 
               
               
                 ATOM 
                 1153 
                 CZ 
                 PHE 
                 813 
                 21.126 
                 10.883 
                 22.801 
                 1.00 
                 17.99 
               
               
                 ATOM 
                 1154 
                 C 
                 PHE 
                 813 
                 18.971 
                 4.856 
                 21.753 
                 1.00 
                 14.71 
               
               
                 ATOM 
                 1155 
                 O 
                 PHE 
                 813 
                 18.058 
                 4.618 
                 22.530 
                 1.00 
                 14.79 
               
               
                 ATOM 
                 1156 
                 N 
                 SER 
                 814 
                 19.255 
                 4.082 
                 20.709 
                 1.00 
                 16.09 
               
               
                 ATOM 
                 1157 
                 CA 
                 SER 
                 814 
                 18.453 
                 2.917 
                 20.369 
                 1.00 
                 15.96 
               
               
                 ATOM 
                 1158 
                 CB 
                 SER 
                 814 
                 17.697 
                 3.172 
                 19.062 
                 1.00 
                 15.79 
               
               
                 ATOM 
                 1159 
                 OG 
                 SER 
                 814 
                 16.640 
                 4.087 
                 19.274 
                 1.00 
                 15.51 
               
               
                 ATOM 
                 1160 
                 C 
                 SER 
                 814 
                 19.169 
                 1.581 
                 20.294 
                 1.00 
                 16.05 
               
               
                 ATOM 
                 1161 
                 O 
                 SER 
                 814 
                 18.610 
                 0.620 
                 19.779 
                 1.00 
                 17.02 
               
               
                 ATOM 
                 1162 
                 N 
                 ILE 
                 815 
                 20.395 
                 1.498 
                 20.779 
                 1.00 
                 16.07 
               
               
                 ATOM 
                 1163 
                 CA 
                 ILE 
                 815 
                 21.099 
                 0.226 
                 20.747 
                 1.00 
                 17.04 
               
               
                 ATOM 
                 1164 
                 CB 
                 ILE 
                 815 
                 21.620 
                 −0.086 
                 19.325 
                 1.00 
                 16.75 
               
               
                 ATOM 
                 1165 
                 CG2 
                 ILE 
                 815 
                 22.222 
                 1.113 
                 18.706 
                 1.00 
                 17.43 
               
               
                 ATOM 
                 1166 
                 CG1 
                 ILE 
                 815 
                 22.600 
                 −1.245 
                 19.341 
                 1.00 
                 17.01 
               
               
                 ATOM 
                 1167 
                 CD1 
                 ILE 
                 815 
                 22.915 
                 −1.753 
                 17.953 
                 1.00 
                 17.98 
               
               
                 ATOM 
                 1168 
                 C 
                 ILE 
                 815 
                 22.172 
                 0.187 
                 21.826 
                 1.00 
                 17.86 
               
               
                 ATOM 
                 1169 
                 O 
                 ILE 
                 815 
                 23.111 
                 0.981 
                 21.802 
                 1.00 
                 18.49 
               
               
                 ATOM 
                 1170 
                 N 
                 ILE 
                 816 
                 21.994 
                 −0.700 
                 22.809 
                 1.00 
                 18.25 
               
               
                 ATOM 
                 1171 
                 CA 
                 ILE 
                 816 
                 22.913 
                 −0.804 
                 23.947 
                 1.00 
                 18.91 
               
               
                 ATOM 
                 1172 
                 CB 
                 ILE 
                 816 
                 22.298 
                 −0.099 
                 25.178 
                 1.00 
                 19.07 
               
               
                 ATOM 
                 1173 
                 CG2 
                 ILE 
                 816 
                 22.175 
                 1.378 
                 24.921 
                 1.00 
                 17.73 
               
               
                 ATOM 
                 1174 
                 CG1 
                 ILE 
                 816 
                 20.939 
                 −0.692 
                 25.537 
                 1.00 
                 18.04 
               
               
                 ATOM 
                 1175 
                 CD1 
                 ILE 
                 816 
                 20.516 
                 −0.346 
                 26.933 
                 1.00 
                 17.73 
               
               
                 ATOM 
                 1176 
                 C 
                 ILE 
                 816 
                 23.302 
                 −2.226 
                 24.385 
                 1.00 
                 20.13 
               
               
                 ATOM 
                 1177 
                 O 
                 ILE 
                 816 
                 22.615 
                 −3.184 
                 24.040 
                 1.00 
                 20.43 
               
               
                 ATOM 
                 1178 
                 N 
                 PRO 
                 817 
                 24.392 
                 −2.385 
                 25.180 
                 1.00 
                 20.85 
               
               
                 ATOM 
                 1179 
                 CD 
                 PRO 
                 817 
                 25.303 
                 −1.373 
                 25.730 
                 1.00 
                 21.00 
               
               
                 ATOM 
                 1180 
                 CA 
                 PRO 
                 817 
                 24.805 
                 −3.720 
                 25.631 
                 1.00 
                 22.05 
               
               
                 ATOM 
                 1181 
                 CB 
                 PRO 
                 817 
                 26.016 
                 −3.444 
                 26.523 
                 1.00 
                 21.47 
               
               
                 ATOM 
                 1182 
                 CD 
                 PRO 
                 817 
                 26.554 
                 −2.197 
                 26.001 
                 1.00 
                 21.80 
               
               
                 ATOM 
                 1183 
                 C 
                 PRO 
                 817 
                 23.706 
                 −4.320 
                 26.458 
                 1.00 
                 22.95 
               
               
                 ATOM 
                 1184 
                 O 
                 PRO 
                 817 
                 22.988 
                 −3.594 
                 27.151 
                 1.00 
                 23.12 
               
               
                 ATOM 
                 1185 
                 N 
                 VAL 
                 818 
                 23.585 
                 −5.640 
                 26.418 
                 1.00 
                 24.79 
               
               
                 ATOM 
                 1186 
                 CA 
                 VAL 
                 818 
                 22.544 
                 −6.316 
                 27.195 
                 1.00 
                 26.35 
               
               
                 ATOM 
                 1187 
                 CB 
                 VAL 
                 818 
                 22.513 
                 −7.860 
                 26.916 
                 1.00 
                 27.19 
               
               
                 ATOM 
                 1188 
                 CG1 
                 VAL 
                 818 
                 23.864 
                 −8.515 
                 27.282 
                 1.00 
                 27.82 
               
               
                 ATOM 
                 1189 
                 CG2 
                 VAL 
                 818 
                 21.362 
                 −8.524 
                 27.676 
                 1.00 
                 27.72 
               
               
                 ATOM 
                 1190 
                 C 
                 VAL 
                 818 
                 22.742 
                 −6.047 
                 28.692 
                 1.00 
                 26.79 
               
               
                 ATOM 
                 1191 
                 O 
                 VAL 
                 818 
                 21.777 
                 −5.849 
                 29.421 
                 1.00 
                 26.79 
               
               
                 ATOM 
                 1192 
                 N 
                 ASP 
                 819 
                 23.992 
                 −5.963 
                 29.136 
                 1.00 
                 27.83 
               
               
                 ATOM 
                 1193 
                 CA 
                 ASP 
                 819 
                 24.240 
                 −5.732 
                 30.550 
                 1.00 
                 29.78 
               
               
                 ATOM 
                 1194 
                 CB 
                 ASP 
                 819 
                 25.406 
                 −6.593 
                 31.063 
                 1.00 
                 32.59 
               
               
                 ATOM 
                 1195 
                 CG 
                 ASP 
                 819 
                 26.747 
                 −5.908 
                 30.959 
                 1.00 
                 35.35 
               
               
                 ATOM 
                 1196 
                 OD1 
                 ASP 
                 819 
                 27.117 
                 −5.518 
                 29.825 
                 1.00 
                 38.62 
               
               
                 ATOM 
                 1197 
                 OD2 
                 ASP 
                 819 
                 27.431 
                 −5.776 
                 32.011 
                 1.00 
                 36.18 
               
               
                 ATOM 
                 1198 
                 C 
                 ASP 
                 819 
                 24.377 
                 −4.266 
                 30.937 
                 1.00 
                 29.73 
               
               
                 ATOM 
                 1199 
                 O 
                 ASP 
                 819 
                 24.899 
                 −3.930 
                 32.007 
                 1.00 
                 30.00 
               
               
                 ATOM 
                 1200 
                 N 
                 GLY 
                 820 
                 23.839 
                 −3.403 
                 30.085 
                 1.00 
                 29.43 
               
               
                 ATOM 
                 1201 
                 CA 
                 GLY 
                 820 
                 23.878 
                 −1.974 
                 30.342 
                 1.00 
                 28.69 
               
               
                 ATOM 
                 1202 
                 C 
                 GLY 
                 820 
                 25.216 
                 −1.317 
                 30.125 
                 1.00 
                 27.42 
               
               
                 ATOM 
                 1203 
                 O 
                 GLY 
                 820 
                 26.221 
                 −1.982 
                 29.938 
                 1.00 
                 26.73 
               
               
                 ATOM 
                 1204 
                 N 
                 LEU 
                 821 
                 25.208 
                 0.010 
                 30.135 
                 1.00 
                 28.29 
               
               
                 ATOM 
                 1205 
                 CA 
                 LEU 
                 821 
                 26.410 
                 0.831 
                 29.947 
                 1.00 
                 28.64 
               
               
                 ATOM 
                 1206 
                 CB 
                 LEU 
                 821 
                 26.023 
                 2.110 
                 29.195 
                 1.00 
                 28.29 
               
               
                 ATOM 
                 1207 
                 CG 
                 LEU 
                 821 
                 25.083 
                 1.940 
                 27.991 
                 1.00 
                 28.32 
               
               
                 ATOM 
                 1208 
                 CD1 
                 LEU 
                 821 
                 24.046 
                 3.022 
                 28.031 
                 1.00 
                 27.27 
               
               
                 ATOM 
                 1209 
                 CD2 
                 LEU 
                 821 
                 25.831 
                 1.953 
                 26.653 
                 1.00 
                 27.18 
               
               
                 ATOM 
                 1210 
                 C 
                 LEU 
                 821 
                 26.948 
                 1.164 
                 31.349 
                 1.00 
                 28.62 
               
               
                 ATOM 
                 1211 
                 O 
                 LEU 
                 821 
                 26.341 
                 0.747 
                 32.342 
                 1.00 
                 28.84 
               
               
                 ATOM 
                 1212 
                 N 
                 LYS 
                 822 
                 28.060 
                 1.897 
                 31.441 
                 1.00 
                 28.49 
               
               
                 ATOM 
                 1213 
                 CA 
                 LYS 
                 822 
                 28.642 
                 2.268 
                 32.741 
                 1.00 
                 29.80 
               
               
                 ATOM 
                 1214 
                 CB 
                 LYS 
                 822 
                 29.865 
                 3.169 
                 32.576 
                 1.00 
                 30.45 
               
               
                 ATOM 
                 1215 
                 CG 
                 LYS 
                 822 
                 30.924 
                 2.626 
                 31.666 
                 1.00 
                 32.84 
               
               
                 ATOM 
                 1216 
                 CD 
                 LYS 
                 822 
                 31.517 
                 1.345 
                 32.194 
                 1.00 
                 35.27 
               
               
                 ATOM 
                 1217 
                 CE 
                 LYS 
                 822 
                 32.433 
                 0.688 
                 31.161 
                 1.00 
                 36.20 
               
               
                 ATOM 
                 1218 
                 NZ 
                 LYS 
                 822 
                 33.498 
                 1.623 
                 30.710 
                 1.00 
                 37.22 
               
               
                 ATOM 
                 1219 
                 C 
                 LYS 
                 822 
                 27.621 
                 3.016 
                 33.587 
                 1.00 
                 30.25 
               
               
                 ATOM 
                 1220 
                 O 
                 LYS 
                 822 
                 27.353 
                 2.655 
                 34.731 
                 1.00 
                 31.02 
               
               
                 ATOM 
                 1221 
                 N 
                 ASN 
                 823 
                 27.065 
                 4.080 
                 33.029 
                 1.00 
                 29.98 
               
               
                 ATOM 
                 1222 
                 CA 
                 ASN 
                 823 
                 26.070 
                 4.852 
                 33.735 
                 1.00 
                 29.55 
               
               
                 ATOM 
                 1223 
                 CB 
                 ASN 
                 823 
                 26.458 
                 6.323 
                 33.774 
                 1.00 
                 31.17 
               
               
                 ATOM 
                 1224 
                 CG 
                 ASN 
                 823 
                 27.832 
                 6.544 
                 34.350 
                 1.00 
                 32.55 
               
               
                 ATOM 
                 1225 
                 OD1 
                 ASN 
                 823 
                 28.787 
                 5.856 
                 33.985 
                 1.00 
                 33.56 
               
               
                 ATOM 
                 1226 
                 ND2 
                 ASN 
                 823 
                 27.952 
                 7.520 
                 35.246 
                 1.00 
                 34.42 
               
               
                 ATOM 
                 1227 
                 C 
                 ASN 
                 823 
                 24.807 
                 4.665 
                 32.943 
                 1.00 
                 28.73 
               
               
                 ATOM 
                 1228 
                 O 
                 ASN 
                 823 
                 24.476 
                 5.473 
                 32.091 
                 1.00 
                 29.00 
               
               
                 ATOM 
                 1229 
                 N 
                 GLN 
                 824 
                 24.127 
                 3.562 
                 33.199 
                 1.00 
                 27.99 
               
               
                 ATOM 
                 1230 
                 CA 
                 GLN 
                 824 
                 22.893 
                 3.227 
                 32.514 
                 1.00 
                 27.77 
               
               
                 ATOM 
                 1231 
                 CB 
                 GLN 
                 824 
                 22.590 
                 1.731 
                 32.738 
                 1.00 
                 28.13 
               
               
                 ATOM 
                 1232 
                 CG 
                 GLN 
                 824 
                 21.343 
                 1.158 
                 32.077 
                 1.00 
                 28.93 
               
               
                 ATOM 
                 1233 
                 CD 
                 GLN 
                 824 
                 21.331 
                 1.302 
                 30.551 
                 1.00 
                 30.20 
               
               
                 ATOM 
                 1234 
                 OE1 
                 GLN 
                 824 
                 22.300 
                 0.976 
                 29.855 
                 1.00 
                 30.02 
               
               
                 ATOM 
                 1235 
                 NE2 
                 GLN 
                 824 
                 20.211 
                 1.775 
                 30.028 
                 1.00 
                 29.72 
               
               
                 ATOM 
                 1236 
                 C 
                 GLN 
                 824 
                 21.723 
                 4.115 
                 32.960 
                 1.00 
                 27.61 
               
               
                 ATOM 
                 1237 
                 O 
                 GLN 
                 824 
                 20.747 
                 4.275 
                 32.226 
                 1.00 
                 27.58 
               
               
                 ATOM 
                 1238 
                 N 
                 LYS 
                 825 
                 21.833 
                 4.752 
                 34.122 
                 1.00 
                 27.13 
               
               
                 ATOM 
                 1239 
                 CA 
                 LYS 
                 825 
                 20.742 
                 5.590 
                 34.595 
                 1.00 
                 26.37 
               
               
                 ATOM 
                 1240 
                 CB 
                 LYS 
                 825 
                 20.815 
                 5.802 
                 36.113 
                 1.00 
                 28.08 
               
               
                 ATOM 
                 1241 
                 CG 
                 LYS 
                 825 
                 19.430 
                 5.823 
                 36.792 
                 1.00 
                 31.02 
               
               
                 ATOM 
                 1242 
                 CD 
                 LYS 
                 825 
                 19.493 
                 5.693 
                 38.335 
                 1.00 
                 33.41 
               
               
                 ATOM 
                 1243 
                 CE 
                 LYS 
                 825 
                 18.086 
                 5.725 
                 39.002 
                 1.00 
                 34.57 
               
               
                 ATOM 
                 1244 
                 NZ 
                 LYS 
                 825 
                 17.196 
                 4.516 
                 38.739 
                 1.00 
                 35.55 
               
               
                 ATOM 
                 1245 
                 C 
                 LYS 
                 825 
                 20.679 
                 6.917 
                 33.876 
                 1.00 
                 24.74 
               
               
                 ATOM 
                 1246 
                 O 
                 LYS 
                 825 
                 19.625 
                 7.518 
                 33.799 
                 1.00 
                 25.30 
               
               
                 ATOM 
                 1247 
                 N 
                 PHE 
                 826 
                 21.794 
                 7.375 
                 33.330 
                 1.00 
                 24.06 
               
               
                 ATOM 
                 1248 
                 CA 
                 PHE 
                 826 
                 21.830 
                 8.646 
                 32.597 
                 1.00 
                 23.44 
               
               
                 ATOM 
                 1249 
                 CB 
                 PHE 
                 826 
                 23.247 
                 9.191 
                 32.573 
                 1.00 
                 25.61 
               
               
                 ATOM 
                 1250 
                 CG 
                 PHE 
                 826 
                 23.768 
                 9.527 
                 33.930 
                 1.00 
                 28.86 
               
               
                 ATOM 
                 1251 
                 CD1 
                 PHE 
                 826 
                 22.916 
                 10.067 
                 34.890 
                 1.00 
                 29.49 
               
               
                 ATOM 
                 1252 
                 CD2 
                 PHE 
                 826 
                 25.091 
                 9.284 
                 34.268 
                 1.00 
                 29.08 
               
               
                 ATOM 
                 1253 
                 CE1 
                 PHE 
                 826 
                 23.373 
                 10.356 
                 36.156 
                 1.00 
                 29.57 
               
               
                 ATOM 
                 1254 
                 CE2 
                 PHE 
                 826 
                 25.551 
                 9.571 
                 35.533 
                 1.00 
                 29.80 
               
               
                 ATOM 
                 1255 
                 CZ 
                 PHE 
                 826 
                 24.688 
                 10.108 
                 36.479 
                 1.00 
                 30.14 
               
               
                 ATOM 
                 1256 
                 C 
                 PHE 
                 826 
                 21.344 
                 8.463 
                 31.178 
                 1.00 
                 21.78 
               
               
                 ATOM 
                 1257 
                 O 
                 PHE 
                 826 
                 20.808 
                 9.380 
                 30.568 
                 1.00 
                 21.42 
               
               
                 ATOM 
                 1258 
                 N 
                 PHE 
                 827 
                 21.581 
                 7.277 
                 30.636 
                 1.00 
                 20.42 
               
               
                 ATOM 
                 1259 
                 CA 
                 PHE 
                 827 
                 21.145 
                 6.937 
                 29.299 
                 1.00 
                 18.74 
               
               
                 ATOM 
                 1260 
                 CB 
                 PHE 
                 827 
                 21.814 
                 5.644 
                 28.857 
                 1.00 
                 17.62 
               
               
                 ATOM 
                 1261 
                 CG 
                 PHE 
                 827 
                 21.238 
                 5.083 
                 27.610 
                 1.00 
                 16.77 
               
               
                 ATOM 
                 1262 
                 CD1 
                 PHE 
                 827 
                 21.780 
                 5.412 
                 26.380 
                 1.00 
                 16.74 
               
               
                 ATOM 
                 1263 
                 CD2 
                 PHE 
                 827 
                 20.123 
                 4.261 
                 27.656 
                 1.00 
                 16.46 
               
               
                 ATOM 
                 1264 
                 CE1 
                 PHE 
                 827 
                 21.225 
                 4.939 
                 25.212 
                 1.00 
                 16.50 
               
               
                 ATOM 
                 1265 
                 CE2 
                 PHE 
                 827 
                 19.555 
                 3.782 
                 26.491 
                 1.00 
                 17.41 
               
               
                 ATOM 
                 1266 
                 CZ 
                 PHE 
                 827 
                 20.105 
                 4.120 
                 25.266 
                 1.00 
                 16.35 
               
               
                 ATOM 
                 1267 
                 C 
                 PHE 
                 827 
                 19.627 
                 6.778 
                 29.277 
                 1.00 
                 19.19 
               
               
                 ATOM 
                 1268 
                 O 
                 PHE 
                 827 
                 18.962 
                 7.183 
                 28.331 
                 1.00 
                 18.79 
               
               
                 ATOM 
                 1269 
                 N 
                 ASP 
                 828 
                 19.079 
                 6.150 
                 30.312 
                 1.00 
                 20.42 
               
               
                 ATOM 
                 1270 
                 CA 
                 ASP 
                 828 
                 17.638 
                 5.943 
                 30.421 
                 1.00 
                 21.69 
               
               
                 ATOM 
                 1271 
                 CB 
                 ASP 
                 828 
                 17.325 
                 5.045 
                 31.633 
                 1.00 
                 23.37 
               
               
                 ATOM 
                 1272 
                 CG 
                 ASP 
                 828 
                 17.885 
                 3.627 
                 31.487 
                 1.00 
                 24.46 
               
               
                 ATOM 
                 1273 
                 OD1 
                 ASP 
                 828 
                 17.900 
                 3.095 
                 30.365 
                 1.00 
                 26.34 
               
               
                 ATOM 
                 1274 
                 OD2 
                 ASP 
                 828 
                 18.296 
                 3.023 
                 32.501 
                 1.00 
                 26.77 
               
               
                 ATOM 
                 1275 
                 C 
                 ASP 
                 828 
                 16.931 
                 7.287 
                 30.572 
                 1.00 
                 21.41 
               
               
                 ATOM 
                 1276 
                 O 
                 ASP 
                 828 
                 15.835 
                 7.487 
                 30.070 
                 1.00 
                 21.87 
               
               
                 ATOM 
                 1277 
                 N 
                 GLU 
                 829 
                 17.552 
                 8.187 
                 31.313 
                 1.00 
                 22.11 
               
               
                 ATOM 
                 1278 
                 CA 
                 GLU 
                 829 
                 17.005 
                 9.510 
                 31.533 
                 1.00 
                 23.92 
               
               
                 ATOM 
                 1279 
                 CB 
                 GLU 
                 829 
                 17.910 
                 10.309 
                 32.499 
                 1.00 
                 27.77 
               
               
                 ATOM 
                 1280 
                 CG 
                 GLU 
                 829 
                 18.168 
                 11.823 
                 32.130 
                 1.00 
                 32.20 
               
               
                 ATOM 
                 1281 
                 CD 
                 GLU 
                 829 
                 19.650 
                 12.266 
                 32.334 
                 1.00 
                 35.29 
               
               
                 ATOM 
                 1282 
                 OE1 
                 GLU 
                 829 
                 20.005 
                 12.655 
                 33.482 
                 1.00 
                 37.06 
               
               
                 ATOM 
                 1283 
                 OE2 
                 GLU 
                 829 
                 20.463 
                 12.217 
                 31.360 
                 1.00 
                 34.89 
               
               
                 ATOM 
                 1284 
                 C 
                 GLU 
                 829 
                 17.011 
                 10.166 
                 30.174 
                 1.00 
                 22.78 
               
               
                 ATOM 
                 1285 
                 O 
                 GLU 
                 829 
                 15.963 
                 10.539 
                 29.656 
                 1.00 
                 22.06 
               
               
                 ATOM 
                 1286 
                 N 
                 LEU 
                 830 
                 18.201 
                 10.200 
                 29.575 
                 1.00 
                 22.21 
               
               
                 ATOM 
                 1287 
                 CA 
                 LEU 
                 830 
                 18.437 
                 10.812 
                 28.272 
                 1.00 
                 22.14 
               
               
                 ATOM 
                 1288 
                 CB 
                 LEU 
                 830 
                 19.885 
                 10.575 
                 27.852 
                 1.00 
                 21.24 
               
               
                 ATOM 
                 1289 
                 CG 
                 LEU 
                 830 
                 20.415 
                 11.572 
                 26.833 
                 1.00 
                 21.76 
               
               
                 ATOM 
                 1290 
                 CD1 
                 LEU 
                 830 
                 20.037 
                 13.004 
                 27.215 
                 1.00 
                 21.40 
               
               
                 ATOM 
                 1291 
                 CD2 
                 LEU 
                 830 
                 21.895 
                 11.429 
                 26.752 
                 1.00 
                 22.34 
               
               
                 ATOM 
                 1292 
                 C 
                 LEU 
                 830 
                 17.499 
                 10.318 
                 27.191 
                 1.00 
                 22.74 
               
               
                 ATOM 
                 1293 
                 O 
                 LEU 
                 830 
                 16.874 
                 11.114 
                 26.481 
                 1.00 
                 23.35 
               
               
                 ATOM 
                 1294 
                 N 
                 ARG 
                 831 
                 17.400 
                 9.002 
                 27.079 
                 1.00 
                 22.23 
               
               
                 ATOM 
                 1295 
                 CA 
                 ARG 
                 831 
                 16.559 
                 8.352 
                 26.097 
                 1.00 
                 22.37 
               
               
                 ATOM 
                 1296 
                 CB 
                 ARG 
                 831 
                 16.780 
                 6.849 
                 26.186 
                 1.00 
                 22.50 
               
               
                 ATOM 
                 1297 
                 CG 
                 ARG 
                 831 
                 15.957 
                 6.087 
                 25.219 
                 1.00 
                 22.59 
               
               
                 ATOM 
                 1298 
                 CD 
                 ARG 
                 831 
                 16.130 
                 4.600 
                 25.375 
                 1.00 
                 23.29 
               
               
                 ATOM 
                 1299 
                 NE 
                 ARG 
                 831 
                 15.921 
                 3.972 
                 24.074 
                 1.00 
                 25.50 
               
               
                 ATOM 
                 1300 
                 CZ 
                 ARG 
                 831 
                 14.738 
                 3.800 
                 23.491 
                 1.00 
                 24.36 
               
               
                 ATOM 
                 1301 
                 NH1 
                 ARG 
                 831 
                 13.632 
                 4.173 
                 24.096 
                 1.00 
                 25.37 
               
               
                 ATOM 
                 1302 
                 NH2 
                 ARG 
                 831 
                 14.676 
                 3.366 
                 22.250 
                 1.00 
                 24.31 
               
               
                 ATOM 
                 1303 
                 C 
                 ARG 
                 831 
                 15.086 
                 8.667 
                 26.302 
                 1.00 
                 22.46 
               
               
                 ATOM 
                 1304 
                 O 
                 ARG 
                 831 
                 14.354 
                 8.964 
                 25.351 
                 1.00 
                 22.89 
               
               
                 ATOM 
                 1305 
                 N 
                 MET 
                 832 
                 14.655 
                 8.593 
                 27.550 
                 1.00 
                 22.76 
               
               
                 ATOM 
                 1306 
                 CA 
                 MET 
                 832 
                 13.276 
                 8.859 
                 27.923 
                 1.00 
                 22.91 
               
               
                 ATOM 
                 1307 
                 CB 
                 MET 
                 832 
                 13.126 
                 8.762 
                 29.429 
                 1.00 
                 23.88 
               
               
                 ATOM 
                 1308 
                 CG 
                 MET 
                 832 
                 11.739 
                 9.050 
                 29.870 
                 1.00 
                 24.65 
               
               
                 ATOM 
                 1309 
                 SD 
                 MET 
                 832 
                 11.693 
                 9.332 
                 31.596 
                 1.00 
                 29.43 
               
               
                 ATOM 
                 1310 
                 CE 
                 MET 
                 832 
                 10.059 
                 10.026 
                 31.651 
                 1.00 
                 29.67 
               
               
                 ATOM 
                 1311 
                 C 
                 MET 
                 832 
                 12.879 
                 10.262 
                 27.513 
                 1.00 
                 23.47 
               
               
                 ATOM 
                 1312 
                 O 
                 MET 
                 832 
                 11.740 
                 10.512 
                 27.097 
                 1.00 
                 23.79 
               
               
                 ATOM 
                 1313 
                 N 
                 ASN 
                 833 
                 13.782 
                 11.198 
                 27.768 
                 1.00 
                 23.63 
               
               
                 ATOM 
                 1314 
                 CA 
                 ASN 
                 833 
                 13.562 
                 12.599 
                 27.423 
                 1.00 
                 23.80 
               
               
                 ATOM 
                 1315 
                 CB 
                 ASN 
                 833 
                 14.676 
                 13.482 
                 28.013 
                 1.00 
                 23.64 
               
               
                 ATOM 
                 1316 
                 CG 
                 ASN 
                 833 
                 14.532 
                 13.679 
                 29.544 
                 1.00 
                 23.87 
               
               
                 ATOM 
                 1317 
                 OD1 
                 ASN 
                 833 
                 15.519 
                 13.864 
                 30.270 
                 1.00 
                 23.24 
               
               
                 ATOM 
                 1318 
                 ND2 
                 ASN 
                 833 
                 13.293 
                 13.628 
                 30.030 
                 1.00 
                 24.57 
               
               
                 ATOM 
                 1319 
                 C 
                 ASN 
                 833 
                 13.403 
                 12.761 
                 25.905 
                 1.00 
                 23.94 
               
               
                 ATOM 
                 1320 
                 O 
                 ASN 
                 833 
                 12.463 
                 13.397 
                 25.445 
                 1.00 
                 24.48 
               
               
                 ATOM 
                 1321 
                 N 
                 TYR 
                 834 
                 14.240 
                 12.093 
                 25.123 
                 1.00 
                 23.69 
               
               
                 ATOM 
                 1322 
                 CA 
                 TYR 
                 834 
                 14.121 
                 12.165 
                 23.673 
                 1.00 
                 24.70 
               
               
                 ATOM 
                 1323 
                 CB 
                 TYR 
                 834 
                 15.340 
                 11.532 
                 23.007 
                 1.00 
                 25.39 
               
               
                 ATOM 
                 1324 
                 CG 
                 TYR 
                 834 
                 16.491 
                 12.489 
                 22.872 
                 1.00 
                 25.49 
               
               
                 ATOM 
                 1325 
                 CD1 
                 TYR 
                 834 
                 16.802 
                 13.051 
                 21.635 
                 1.00 
                 26.75 
               
               
                 ATOM 
                 1326 
                 CE1 
                 TYR 
                 834 
                 17.828 
                 13.975 
                 21.502 
                 1.00 
                 27.67 
               
               
                 ATOM 
                 1327 
                 CD2 
                 TYR 
                 834 
                 17.239 
                 12.869 
                 23.986 
                 1.00 
                 26.00 
               
               
                 ATOM 
                 1328 
                 CE2 
                 TYR 
                 834 
                 18.268 
                 13.791 
                 23.873 
                 1.00 
                 26.69 
               
               
                 ATOM 
                 1329 
                 CZ 
                 TYR 
                 834 
                 18.558 
                 14.341 
                 22.624 
                 1.00 
                 28.15 
               
               
                 ATOM 
                 1330 
                 OH 
                 TYR 
                 834 
                 19.571 
                 15.263 
                 22.497 
                 1.00 
                 28.86 
               
               
                 ATOM 
                 1331 
                 C 
                 TYR 
                 834 
                 12.809 
                 11.574 
                 23.128 
                 1.00 
                 24.43 
               
               
                 ATOM 
                 1332 
                 O 
                 TYR 
                 834 
                 12.297 
                 12.006 
                 22.082 
                 1.00 
                 24.26 
               
               
                 ATOM 
                 1333 
                 N 
                 ILE 
                 835 
                 12.260 
                 10.599 
                 23.843 
                 1.00 
                 24.33 
               
               
                 ATOM 
                 1334 
                 CA 
                 ILE 
                 835 
                 11.004 
                 9.991 
                 23.450 
                 1.00 
                 23.48 
               
               
                 ATOM 
                 1335 
                 CB 
                 ILE 
                 835 
                 10.724 
                 8.727 
                 24.235 
                 1.00 
                 21.33 
               
               
                 ATOM 
                 1336 
                 CG2 
                 ILE 
                 835 
                 9.297 
                 8.308 
                 24.054 
                 1.00 
                 19.87 
               
               
                 ATOM 
                 1337 
                 CG1 
                 ILE 
                 835 
                 11.657 
                 7.624 
                 23.756 
                 1.00 
                 20.40 
               
               
                 ATOM 
                 1338 
                 CD1 
                 ILE 
                 835 
                 11.684 
                 6.400 
                 24.655 
                 1.00 
                 21.05 
               
               
                 ATOM 
                 1339 
                 C 
                 ILE 
                 835 
                 9.893 
                 10.977 
                 23.687 
                 1.00 
                 25.05 
               
               
                 ATOM 
                 1340 
                 O 
                 ILE 
                 835 
                 8.972 
                 11.061 
                 22.889 
                 1.00 
                 26.24 
               
               
                 ATOM 
                 1341 
                 N 
                 LYS 
                 836 
                 9.998 
                 11.738 
                 24.771 
                 1.00 
                 26.82 
               
               
                 ATOM 
                 1342 
                 CA 
                 LYS 
                 836 
                 9.006 
                 12.747 
                 25.137 
                 1.00 
                 28.28 
               
               
                 ATOM 
                 1343 
                 CB 
                 LYS 
                 836 
                 9.245 
                 13.281 
                 26.556 
                 1.00 
                 29.95 
               
               
                 ATOM 
                 1344 
                 CG 
                 LYS 
                 836 
                 9.115 
                 12.252 
                 27.712 
                 1.00 
                 32.62 
               
               
                 ATOM 
                 1345 
                 CD 
                 LYS 
                 836 
                 7.690 
                 11.672 
                 27.901 
                 1.00 
                 33.04 
               
               
                 ATOM 
                 1346 
                 CE 
                 LYS 
                 836 
                 7.575 
                 10.238 
                 27.344 
                 1.00 
                 34.32 
               
               
                 ATOM 
                 1347 
                 NZ 
                 LYS 
                 836 
                 8.559 
                 9.259 
                 27.942 
                 1.00 
                 32.90 
               
               
                 ATOM 
                 1348 
                 C 
                 LYS 
                 836 
                 9.030 
                 13.919 
                 24.164 
                 1.00 
                 28.39 
               
               
                 ATOM 
                 1349 
                 O 
                 LYS 
                 836 
                 7.997 
                 14.545 
                 23.946 
                 1.00 
                 29.09 
               
               
                 ATOM 
                 1350 
                 N 
                 GLU 
                 837 
                 10.194 
                 14.249 
                 23.606 
                 1.00 
                 28.61 
               
               
                 ATOM 
                 1351 
                 CA 
                 GLU 
                 837 
                 10.276 
                 15.351 
                 22.643 
                 1.00 
                 28.70 
               
               
                 ATOM 
                 1352 
                 CB 
                 GLU 
                 837 
                 11.715 
                 15.824 
                 22.439 
                 1.00 
                 29.34 
               
               
                 ATOM 
                 1353 
                 CG 
                 GLU 
                 837 
                 12.305 
                 16.584 
                 23.627 
                 1.00 
                 32.13 
               
               
                 ATOM 
                 1354 
                 CD 
                 GLU 
                 837 
                 11.553 
                 17.887 
                 23.971 
                 1.00 
                 34.30 
               
               
                 ATOM 
                 1355 
                 OE1 
                 GLU 
                 837 
                 11.612 
                 18.303 
                 25.157 
                 1.00 
                 34.18 
               
               
                 ATOM 
                 1356 
                 OE2 
                 GLU 
                 837 
                 10.925 
                 18.503 
                 23.063 
                 1.00 
                 35.58 
               
               
                 ATOM 
                 1357 
                 C 
                 GLU 
                 837 
                 9.666 
                 14.907 
                 21.321 
                 1.00 
                 28.92 
               
               
                 ATOM 
                 1358 
                 O 
                 GLU 
                 837 
                 9.041 
                 15.699 
                 20.626 
                 1.00 
                 28.40 
               
               
                 ATOM 
                 1359 
                 N 
                 LEU 
                 838 
                 9.826 
                 13.631 
                 20.991 
                 1.00 
                 29.32 
               
               
                 ATOM 
                 1360 
                 CA 
                 LEU 
                 838 
                 9.250 
                 13.092 
                 19.774 
                 1.00 
                 30.90 
               
               
                 ATOM 
                 1361 
                 CB 
                 LEU 
                 838 
                 9.614 
                 11.622 
                 19.592 
                 1.00 
                 30.44 
               
               
                 ATOM 
                 1362 
                 CG 
                 LEU 
                 838 
                 8.810 
                 10.983 
                 18.460 
                 1.00 
                 30.56 
               
               
                 ATOM 
                 1363 
                 CD1 
                 LEU 
                 838 
                 9.077 
                 11.728 
                 17.151 
                 1.00 
                 30.31 
               
               
                 ATOM 
                 1364 
                 CD2 
                 LEU 
                 838 
                 9.166 
                 9.533 
                 18.330 
                 1.00 
                 30.00 
               
               
                 ATOM 
                 1365 
                 C 
                 LEU 
                 838 
                 7.740 
                 13.211 
                 19.884 
                 1.00 
                 32.66 
               
               
                 ATOM 
                 1366 
                 O 
                 LEU 
                 838 
                 7.076 
                 13.706 
                 18.983 
                 1.00 
                 32.60 
               
               
                 ATOM 
                 1367 
                 N 
                 ASP 
                 839 
                 7.186 
                 12.724 
                 20.979 
                 1.00 
                 34.82 
               
               
                 ATOM 
                 1368 
                 CA 
                 ASP 
                 839 
                 5.755 
                 12.823 
                 21.162 
                 1.00 
                 37.61 
               
               
                 ATOM 
                 1369 
                 CB 
                 ASP 
                 839 
                 5.331 
                 12.117 
                 22.449 
                 1.00 
                 39.22 
               
               
                 ATOM 
                 1370 
                 CG 
                 ASP 
                 839 
                 3.816 
                 11.952 
                 22.557 
                 1.00 
                 41.54 
               
               
                 ATOM 
                 1371 
                 OD1 
                 ASP 
                 839 
                 3.249 
                 12.375 
                 23.592 
                 1.00 
                 43.10 
               
               
                 ATOM 
                 1372 
                 OD2 
                 ASP 
                 839 
                 3.192 
                 11.400 
                 21.613 
                 1.00 
                 42.60 
               
               
                 ATOM 
                 1373 
                 C 
                 ASP 
                 839 
                 5.338 
                 14.293 
                 21.187 
                 1.00 
                 38.83 
               
               
                 ATOM 
                 1374 
                 O 
                 ASP 
                 839 
                 4.285 
                 14.645 
                 20.672 
                 1.00 
                 39.02 
               
               
                 ATOM 
                 1375 
                 N 
                 ARG 
                 840 
                 6.195 
                 15.151 
                 21.731 
                 1.00 
                 40.51 
               
               
                 ATOM 
                 1376 
                 CA 
                 ARG 
                 840 
                 5.916 
                 16.580 
                 21.828 
                 1.00 
                 42.20 
               
               
                 ATOM 
                 1377 
                 CB 
                 ARG 
                 840 
                 7.032 
                 17.289 
                 22.610 
                 1.00 
                 43.32 
               
               
                 ATOM 
                 1378 
                 CG 
                 ARG 
                 840 
                 6.657 
                 18.639 
                 23.261 
                 1.00 
                 45.47 
               
               
                 ATOM 
                 1379 
                 CD 
                 ARG 
                 840 
                 6.945 
                 19.881 
                 22.401 
                 1.00 
                 46.95 
               
               
                 ATOM 
                 1380 
                 NE 
                 ARG 
                 840 
                 8.319 
                 20.371 
                 22.542 
                 1.00 
                 48.57 
               
               
                 ATOM 
                 1381 
                 CZ 
                 ARG 
                 840 
                 9.066 
                 20.823 
                 21.533 
                 1.00 
                 49.57 
               
               
                 ATOM 
                 1382 
                 NH1 
                 ARG 
                 840 
                 8.580 
                 20.860 
                 20.294 
                 1.00 
                 49.89 
               
               
                 ATOM 
                 1383 
                 NH2 
                 ARG 
                 840 
                 10.314 
                 21.220 
                 21.755 
                 1.00 
                 49.90 
               
               
                 ATOM 
                 1384 
                 C 
                 ARG 
                 840 
                 5.776 
                 17.220 
                 20.457 
                 1.00 
                 43.27 
               
               
                 ATOM 
                 1385 
                 O 
                 ARG 
                 840 
                 4.860 
                 18.004 
                 20.232 
                 1.00 
                 43.50 
               
               
                 ATOM 
                 1386 
                 N 
                 ILE 
                 841 
                 6.663 
                 16.876 
                 19.528 
                 1.00 
                 44.53 
               
               
                 ATOM 
                 1387 
                 CA 
                 ILE 
                 841 
                 6.600 
                 17.483 
                 18.211 
                 1.00 
                 46.22 
               
               
                 ATOM 
                 1388 
                 CB 
                 ILE 
                 841 
                 7.983 
                 17.572 
                 17.510 
                 1.00 
                 45.82 
               
               
                 ATOM 
                 1389 
                 CG2 
                 ILE 
                 841 
                 9.044 
                 18.078 
                 18.463 
                 1.00 
                 46.40 
               
               
                 ATOM 
                 1390 
                 CG1 
                 ILE 
                 841 
                 8.383 
                 16.237 
                 16.918 
                 1.00 
                 46.46 
               
               
                 ATOM 
                 1391 
                 CD1 
                 ILE 
                 841 
                 8.064 
                 16.150 
                 15.463 
                 1.00 
                 45.92 
               
               
                 ATOM 
                 1392 
                 C 
                 ILE 
                 841 
                 5.534 
                 16.913 
                 17.286 
                 1.00 
                 48.04 
               
               
                 ATOM 
                 1393 
                 O 
                 ILE 
                 841 
                 5.472 
                 17.272 
                 16.109 
                 1.00 
                 48.90 
               
               
                 ATOM 
                 1394 
                 N 
                 ILE 
                 842 
                 4.737 
                 15.976 
                 17.786 
                 1.00 
                 49.91 
               
               
                 ATOM 
                 1395 
                 CA 
                 ILE 
                 842 
                 3.632 
                 15.446 
                 16.990 
                 1.00 
                 51.38 
               
               
                 ATOM 
                 1396 
                 CB 
                 ILE 
                 842 
                 3.577 
                 13.878 
                 16.889 
                 1.00 
                 51.11 
               
               
                 ATOM 
                 1397 
                 CG2 
                 ILE 
                 842 
                 3.917 
                 13.445 
                 15.482 
                 1.00 
                 51.75 
               
               
                 ATOM 
                 1398 
                 CG1 
                 ILE 
                 842 
                 4.523 
                 13.192 
                 17.870 
                 1.00 
                 50.67 
               
               
                 ATOM 
                 1399 
                 CD1 
                 ILE 
                 842 
                 4.691 
                 11.701 
                 17.619 
                 1.00 
                 49.36 
               
               
                 ATOM 
                 1400 
                 C 
                 ILE 
                 842 
                 2.384 
                 16.003 
                 17.659 
                 1.00 
                 52.63 
               
               
                 ATOM 
                 1401 
                 O 
                 ILE 
                 842 
                 1.509 
                 16.551 
                 16.999 
                 1.00 
                 52.38 
               
               
                 ATOM 
                 1402 
                 N 
                 ALA 
                 843 
                 2.356 
                 15.939 
                 18.986 
                 1.00 
                 54.81 
               
               
                 ATOM 
                 1403 
                 CA 
                 ALA 
                 843 
                 1.242 
                 16.456 
                 19.761 
                 1.00 
                 57.24 
               
               
                 ATOM 
                 1404 
                 CB 
                 ALA 
                 843 
                 1.424 
                 16.129 
                 21.247 
                 1.00 
                 56.69 
               
               
                 ATOM 
                 1405 
                 C 
                 ALA 
                 843 
                 1.215 
                 17.962 
                 19.557 
                 1.00 
                 59.28 
               
               
                 ATOM 
                 1406 
                 O 
                 ALA 
                 843 
                 1.847 
                 18.704 
                 20.304 
                 1.00 
                 59.69 
               
               
                 ATOM 
                 1407 
                 N 
                 CYS 
                 844 
                 0.560 
                 18.391 
                 18.481 
                 1.00 
                 61.60 
               
               
                 ATOM 
                 1408 
                 CA 
                 CYS 
                 844 
                 0.402 
                 19.810 
                 18.130 
                 1.00 
                 63.67 
               
               
                 ATOM 
                 1409 
                 CB 
                 CYS 
                 844 
                 1.766 
                 20.536 
                 17.979 
                 1.00 
                 64.05 
               
               
                 ATOM 
                 1410 
                 SG 
                 CYS 
                 844 
                 2.751 
                 20.268 
                 16.470 
                 1.00 
                 65.30 
               
               
                 ATOM 
                 1411 
                 C 
                 CYS 
                 844 
                 −0.441 
                 19.854 
                 16.848 
                 1.00 
                 64.63 
               
               
                 ATOM 
                 1412 
                 O 
                 CYS 
                 844 
                 −1.618 
                 19.471 
                 16.889 
                 1.00 
                 64.70 
               
               
                 ATOM 
                 1413 
                 N 
                 ALA 
                 845 
                 0.136 
                 20.332 
                 15.738 
                 1.00 
                 65.65 
               
               
                 ATOM 
                 1414 
                 CA 
                 ALA 
                 845 
                 −0.545 
                 20.374 
                 14.439 
                 1.00 
                 65.96 
               
               
                 ATOM 
                 1415 
                 CB 
                 ALA 
                 845 
                 −0.195 
                 21.639 
                 13.684 
                 1.00 
                 65.80 
               
               
                 ATOM 
                 1416 
                 C 
                 ALA 
                 845 
                 −0.079 
                 19.165 
                 13.644 
                 1.00 
                 66.49 
               
               
                 ATOM 
                 1417 
                 O 
                 ALA 
                 845 
                 −0.675 
                 18.829 
                 12.620 
                 1.00 
                 66.85 
               
               
                 ATOM 
                 1418 
                 N 
                 ALA 
                 846 
                 0.998 
                 18.533 
                 14.127 
                 1.00 
                 66.74 
               
               
                 ATOM 
                 1419 
                 CA 
                 ALA 
                 846 
                 1.601 
                 17.343 
                 13.511 
                 1.00 
                 66.90 
               
               
                 ATOM 
                 1420 
                 CB 
                 ALA 
                 846 
                 3.110 
                 17.337 
                 13.730 
                 1.00 
                 66.74 
               
               
                 ATOM 
                 1421 
                 C 
                 ALA 
                 846 
                 0.984 
                 16.074 
                 14.086 
                 1.00 
                 66.88 
               
               
                 ATOM 
                 1422 
                 O 
                 ALA 
                 846 
                 1.675 
                 15.092 
                 14.345 
                 1.00 
                 66.35 
               
               
                 ATOM 
                 1423 
                 N 
                 ALA 
                 847 
                 −0.325 
                 16.141 
                 14.291 
                 1.00 
                 67.27 
               
               
                 ATOM 
                 1424 
                 CA 
                 ALA 
                 847 
                 −1.162 
                 15.076 
                 14.826 
                 1.00 
                 67.87 
               
               
                 ATOM 
                 1425 
                 CB 
                 ALA 
                 847 
                 −0.515 
                 14.407 
                 16.033 
                 1.00 
                 68.14 
               
               
                 ATOM 
                 1426 
                 C 
                 ALA 
                 847 
                 −2.420 
                 15.816 
                 15.251 
                 1.00 
                 68.35 
               
               
                 ATOM 
                 1427 
                 O 
                 ALA 
                 847 
                 −2.432 
                 17.046 
                 15.278 
                 1.00 
                 68.33 
               
               
                 ATOM 
                 1428 
                 N 
                 ALA 
                 848 
                 −3.468 
                 15.079 
                 15.597 
                 1.00 
                 69.11 
               
               
                 ATOM 
                 1429 
                 CA 
                 ALA 
                 848 
                 −4.728 
                 15.685 
                 16.016 
                 1.00 
                 69.71 
               
               
                 ATOM 
                 1430 
                 CB 
                 ALA 
                 848 
                 −5.272 
                 16.598 
                 14.907 
                 1.00 
                 69.68 
               
               
                 ATOM 
                 1431 
                 C 
                 ALA 
                 848 
                 −5.737 
                 14.586 
                 16.340 
                 1.00 
                 70.20 
               
               
                 ATOM 
                 1432 
                 O 
                 ALA 
                 848 
                 −5.342 
                 13.474 
                 16.720 
                 1.00 
                 70.21 
               
               
                 ATOM 
                 1433 
                 N 
                 ALA 
                 849 
                 −7.021 
                 14.914 
                 16.146 
                 1.00 
                 70.54 
               
               
                 ATOM 
                 1434 
                 CA 
                 ALA 
                 849 
                 −8.185 
                 14.043 
                 16.374 
                 1.00 
                 70.31 
               
               
                 ATOM 
                 1435 
                 CB 
                 ALA 
                 849 
                 −9.014 
                 13.929 
                 15.079 
                 1.00 
                 70.65 
               
               
                 ATOM 
                 1436 
                 C 
                 ALA 
                 849 
                 −7.856 
                 12.661 
                 16.920 
                 1.00 
                 69.92 
               
               
                 ATOM 
                 1437 
                 O 
                 ALA 
                 849 
                 −7.665 
                 12.492 
                 18.130 
                 1.00 
                 70.12 
               
               
                 ATOM 
                 1438 
                 N 
                 ALA 
                 850 
                 −7.808 
                 11.680 
                 16.020 
                 1.00 
                 69.47 
               
               
                 ATOM 
                 1439 
                 CA 
                 ALA 
                 850 
                 −7.473 
                 10.304 
                 16.377 
                 1.00 
                 68.74 
               
               
                 ATOM 
                 1440 
                 CB 
                 ALA 
                 850 
                 −8.494 
                 9.331 
                 15.774 
                 1.00 
                 68.95 
               
               
                 ATOM 
                 1441 
                 C 
                 ALA 
                 850 
                 −6.061 
                 10.015 
                 15.845 
                 1.00 
                 67.76 
               
               
                 ATOM 
                 1442 
                 O 
                 ALA 
                 850 
                 −5.590 
                 8.867 
                 15.864 
                 1.00 
                 67.27 
               
               
                 ATOM 
                 1443 
                 N 
                 SER 
                 851 
                 −5.391 
                 11.077 
                 15.388 
                 1.00 
                 66.46 
               
               
                 ATOM 
                 1444 
                 CA 
                 SER 
                 851 
                 −4.046 
                 10.962 
                 14.846 
                 1.00 
                 65.28 
               
               
                 ATOM 
                 1445 
                 CB 
                 SER 
                 851 
                 −3.664 
                 12.200 
                 14.018 
                 1.00 
                 65.24 
               
               
                 ATOM 
                 1446 
                 OG 
                 SER 
                 851 
                 −2.405 
                 12.037 
                 13.369 
                 1.00 
                 65.05 
               
               
                 ATOM 
                 1447 
                 C 
                 SER 
                 851 
                 −3.023 
                 10.710 
                 15.944 
                 1.00 
                 64.16 
               
               
                 ATOM 
                 1448 
                 O 
                 SER 
                 851 
                 −2.426 
                 9.639 
                 15.969 
                 1.00 
                 64.16 
               
               
                 ATOM 
                 1449 
                 N 
                 CYS 
                 852 
                 −2.873 
                 11.651 
                 16.879 
                 1.00 
                 62.68 
               
               
                 ATOM 
                 1450 
                 CA 
                 CYS 
                 852 
                 −1.901 
                 11.526 
                 17.974 
                 1.00 
                 60.96 
               
               
                 ATOM 
                 1451 
                 CB 
                 CYS 
                 852 
                 −2.353 
                 12.333 
                 19.191 
                 1.00 
                 61.34 
               
               
                 ATOM 
                 1452 
                 SG 
                 CYS 
                 852 
                 −1.712 
                 14.024 
                 19.216 
                 1.00 
                 62.06 
               
               
                 ATOM 
                 1453 
                 C 
                 CYS 
                 852 
                 −1.480 
                 10.102 
                 18.388 
                 1.00 
                 59.71 
               
               
                 ATOM 
                 1454 
                 O 
                 CYS 
                 852 
                 −0.282 
                 9.800 
                 18.422 
                 1.00 
                 59.67 
               
               
                 ATOM 
                 1455 
                 N 
                 SER 
                 853 
                 −2.440 
                 9.223 
                 18.678 
                 1.00 
                 57.85 
               
               
                 ATOM 
                 1456 
                 CA 
                 SER 
                 853 
                 −2.109 
                 7.847 
                 19.053 
                 1.00 
                 55.45 
               
               
                 ATOM 
                 1457 
                 CB 
                 SER 
                 853 
                 −3.308 
                 7.133 
                 19.686 
                 1.00 
                 56.27 
               
               
                 ATOM 
                 1458 
                 OG 
                 SER 
                 853 
                 −3.480 
                 7.522 
                 21.038 
                 1.00 
                 57.65 
               
               
                 ATOM 
                 1459 
                 C 
                 SER 
                 853 
                 −1.610 
                 7.052 
                 17.847 
                 1.00 
                 53.09 
               
               
                 ATOM 
                 1460 
                 O 
                 SER 
                 853 
                 −0.601 
                 6.346 
                 17.942 
                 1.00 
                 53.22 
               
               
                 ATOM 
                 1461 
                 N 
                 ARG 
                 854 
                 −2.304 
                 7.172 
                 16.719 
                 1.00 
                 49.75 
               
               
                 ATOM 
                 1462 
                 CA 
                 ARG 
                 854 
                 −1.924 
                 6.462 
                 15.500 
                 1.00 
                 46.39 
               
               
                 ATOM 
                 1463 
                 CB 
                 ARG 
                 854 
                 −3.021 
                 6.634 
                 14.443 
                 1.00 
                 47.23 
               
               
                 ATOM 
                 1464 
                 CG 
                 ARG 
                 854 
                 −2.747 
                 5.970 
                 13.105 
                 1.00 
                 48.09 
               
               
                 ATOM 
                 1465 
                 CD 
                 ARG 
                 854 
                 −2.985 
                 6.943 
                 11.940 
                 1.00 
                 49.85 
               
               
                 ATOM 
                 1466 
                 NE 
                 ARG 
                 854 
                 −4.340 
                 7.500 
                 11.936 
                 1.00 
                 51.11 
               
               
                 ATOM 
                 1467 
                 CZ 
                 ARG 
                 854 
                 −4.911 
                 8.122 
                 10.904 
                 1.00 
                 51.20 
               
               
                 ATOM 
                 1468 
                 NH1 
                 ARG 
                 854 
                 −4.261 
                 8.290 
                 9.755 
                 1.00 
                 51.32 
               
               
                 ATOM 
                 1469 
                 NH2 
                 ARG 
                 854 
                 −6.153 
                 8.567 
                 11.021 
                 1.00 
                 51.21 
               
               
                 ATOM 
                 1470 
                 C 
                 ARG 
                 854 
                 −0.564 
                 6.962 
                 14.967 
                 1.00 
                 43.72 
               
               
                 ATOM 
                 1471 
                 O 
                 ARG 
                 854 
                 0.294 
                 6.164 
                 14.564 
                 1.00 
                 43.80 
               
               
                 ATOM 
                 1472 
                 N 
                 ARG 
                 855 
                 −0.360 
                 8.273 
                 15.019 
                 1.00 
                 39.68 
               
               
                 ATOM 
                 1473 
                 CA 
                 ARG 
                 855 
                 0.860 
                 8.926 
                 14.558 
                 1.00 
                 36.58 
               
               
                 ATOM 
                 1474 
                 CB 
                 ARG 
                 855 
                 0.713 
                 10.439 
                 14.734 
                 1.00 
                 36.42 
               
               
                 ATOM 
                 1475 
                 CG 
                 ARG 
                 855 
                 1.801 
                 11.264 
                 14.082 
                 1.00 
                 34.79 
               
               
                 ATOM 
                 1476 
                 CD 
                 ARG 
                 855 
                 1.724 
                 11.109 
                 12.594 
                 1.00 
                 32.86 
               
               
                 ATOM 
                 1477 
                 NE 
                 ARG 
                 855 
                 2.869 
                 11.699 
                 11.907 
                 1.00 
                 30.54 
               
               
                 ATOM 
                 1478 
                 CZ 
                 ARG 
                 855 
                 3.030 
                 11.655 
                 10.590 
                 1.00 
                 29.61 
               
               
                 ATOM 
                 1479 
                 NH1 
                 ARG 
                 855 
                 2.130 
                 11.051 
                 9.831 
                 1.00 
                 28.88 
               
               
                 ATOM 
                 1480 
                 NH2 
                 ARG 
                 855 
                 4.085 
                 12.219 
                 10.028 
                 1.00 
                 29.20 
               
               
                 ATOM 
                 1481 
                 C 
                 ARG 
                 855 
                 2.106 
                 8.454 
                 15.306 
                 1.00 
                 35.02 
               
               
                 ATOM 
                 1482 
                 O 
                 ARG 
                 855 
                 3.180 
                 8.326 
                 14.723 
                 1.00 
                 34.97 
               
               
                 ATOM 
                 1483 
                 N 
                 PHE 
                 856 
                 1.973 
                 8.239 
                 16.609 
                 1.00 
                 33.30 
               
               
                 ATOM 
                 1484 
                 CA 
                 PHE 
                 856 
                 3.086 
                 7.786 
                 17.428 
                 1.00 
                 31.21 
               
               
                 ATOM 
                 1485 
                 CB 
                 PHE 
                 856 
                 2.846 
                 8.128 
                 18.895 
                 1.00 
                 30.24 
               
               
                 ATOM 
                 1486 
                 CG 
                 PHE 
                 856 
                 4.058 
                 7.977 
                 19.755 
                 1.00 
                 30.06 
               
               
                 ATOM 
                 1487 
                 CD1 
                 PHE 
                 856 
                 5.022 
                 8.972 
                 19.787 
                 1.00 
                 29.34 
               
               
                 ATOM 
                 1488 
                 CD2 
                 PHE 
                 856 
                 4.241 
                 6.829 
                 20.536 
                 1.00 
                 29.33 
               
               
                 ATOM 
                 1489 
                 CE1 
                 PHE 
                 856 
                 6.150 
                 8.832 
                 20.580 
                 1.00 
                 29.36 
               
               
                 ATOM 
                 1490 
                 CE2 
                 PHE 
                 856 
                 5.364 
                 6.676 
                 21.335 
                 1.00 
                 28.86 
               
               
                 ATOM 
                 1491 
                 CZ 
                 PHE 
                 856 
                 6.325 
                 7.680 
                 21.357 
                 1.00 
                 29.62 
               
               
                 ATOM 
                 1492 
                 C 
                 PHE 
                 856 
                 3.308 
                 6.290 
                 17.254 
                 1.00 
                 30.61 
               
               
                 ATOM 
                 1493 
                 O 
                 PHE 
                 856 
                 4.420 
                 5.803 
                 17.424 
                 1.00 
                 30.75 
               
               
                 ATOM 
                 1494 
                 N 
                 TYR 
                 857 
                 2.258 
                 5.543 
                 16.943 
                 1.00 
                 29.79 
               
               
                 ATOM 
                 1495 
                 CA 
                 TYR 
                 857 
                 2.446 
                 4.118 
                 16.725 
                 1.00 
                 29.79 
               
               
                 ATOM 
                 1496 
                 CB 
                 TYR 
                 857 
                 1.116 
                 3.365 
                 16.660 
                 1.00 
                 30.78 
               
               
                 ATOM 
                 1497 
                 CG 
                 TYR 
                 857 
                 1.254 
                 1.871 
                 16.396 
                 1.00 
                 32.21 
               
               
                 ATOM 
                 1498 
                 CD1 
                 TYR 
                 857 
                 1.425 
                 0.972 
                 17.442 
                 1.00 
                 32.75 
               
               
                 ATOM 
                 1499 
                 CE1 
                 TYR 
                 857 
                 1.548 
                 −0.401 
                 17.215 
                 1.00 
                 34.60 
               
               
                 ATOM 
                 1500 
                 CD2 
                 TYR 
                 857 
                 1.208 
                 1.362 
                 15.098 
                 1.00 
                 33.36 
               
               
                 ATOM 
                 1501 
                 CE2 
                 TYR 
                 857 
                 1.331 
                 −0.011 
                 14.854 
                 1.00 
                 34.67 
               
               
                 ATOM 
                 1502 
                 CZ 
                 TYR 
                 857 
                 1.503 
                 −0.887 
                 15.918 
                 1.00 
                 35.61 
               
               
                 ATOM 
                 1503 
                 OH 
                 TYR 
                 857 
                 1.652 
                 −2.244 
                 15.697 
                 1.00 
                 36.96 
               
               
                 ATOM 
                 1504 
                 C 
                 TYR 
                 857 
                 3.206 
                 3.929 
                 15.419 
                 1.00 
                 29.44 
               
               
                 ATOM 
                 1505 
                 O 
                 TYR 
                 857 
                 4.135 
                 3.125 
                 15.371 
                 1.00 
                 29.44 
               
               
                 ATOM 
                 1506 
                 N 
                 GLN 
                 858 
                 2.847 
                 4.685 
                 14.376 
                 1.00 
                 28.32 
               
               
                 ATOM 
                 1507 
                 CA 
                 GLN 
                 858 
                 3.533 
                 4.537 
                 13.087 
                 1.00 
                 28.06 
               
               
                 ATOM 
                 1508 
                 CB 
                 GLN 
                 858 
                 2.675 
                 5.020 
                 11.890 
                 1.00 
                 28.98 
               
               
                 ATOM 
                 1509 
                 CG 
                 GLN 
                 858 
                 1.970 
                 6.384 
                 12.029 
                 1.00 
                 31.65 
               
               
                 ATOM 
                 1510 
                 CD 
                 GLN 
                 858 
                 0.781 
                 6.569 
                 11.059 
                 1.00 
                 32.26 
               
               
                 ATOM 
                 1511 
                 OE1 
                 GLN 
                 858 
                 0.385 
                 7.700 
                 10.724 
                 1.00 
                 32.11 
               
               
                 ATOM 
                 1512 
                 NE2 
                 GLN 
                 858 
                 0.210 
                 5.458 
                 10.617 
                 1.00 
                 32.79 
               
               
                 ATOM 
                 1513 
                 C 
                 GLN 
                 858 
                 4.967 
                 5.077 
                 13.037 
                 1.00 
                 26.56 
               
               
                 ATOM 
                 1514 
                 O 
                 GLN 
                 858 
                 5.820 
                 4.525 
                 12.332 
                 1.00 
                 26.58 
               
               
                 ATOM 
                 1515 
                 N 
                 LEU 
                 859 
                 5.266 
                 6.101 
                 13.825 
                 1.00 
                 24.64 
               
               
                 ATOM 
                 1516 
                 CA 
                 LEU 
                 859 
                 6.622 
                 6.632 
                 13.832 
                 1.00 
                 22.82 
               
               
                 ATOM 
                 1517 
                 CB 
                 LEU 
                 859 
                 6.675 
                 8.067 
                 14.395 
                 1.00 
                 23.93 
               
               
                 ATOM 
                 1518 
                 CG 
                 LEU 
                 859 
                 6.054 
                 9.243 
                 13.617 
                 1.00 
                 23.18 
               
               
                 ATOM 
                 1519 
                 CD1 
                 LEU 
                 859 
                 6.616 
                 10.541 
                 14.156 
                 1.00 
                 23.42 
               
               
                 ATOM 
                 1520 
                 CD2 
                 LEU 
                 859 
                 6.363 
                 9.137 
                 12.173 
                 1.00 
                 22.30 
               
               
                 ATOM 
                 1521 
                 C 
                 LEU 
                 859 
                 7.545 
                 5.705 
                 14.613 
                 1.00 
                 20.92 
               
               
                 ATOM 
                 1522 
                 O 
                 LEU 
                 859 
                 8.694 
                 5.486 
                 14.222 
                 1.00 
                 20.35 
               
               
                 ATOM 
                 1523 
                 N 
                 THR 
                 860 
                 7.030 
                 5.124 
                 15.691 
                 1.00 
                 20.30 
               
               
                 ATOM 
                 1524 
                 CA 
                 THR 
                 860 
                 7.821 
                 4.195 
                 16.505 
                 1.00 
                 20.14 
               
               
                 ATOM 
                 1525 
                 CB 
                 THR 
                 860 
                 7.215 
                 3.957 
                 17.905 
                 1.00 
                 18.65 
               
               
                 ATOM 
                 1526 
                 OG1 
                 THR 
                 860 
                 5.849 
                 3.551 
                 17.797 
                 1.00 
                 18.55 
               
               
                 ATOM 
                 1527 
                 CG2 
                 THR 
                 860 
                 7.314 
                 5.196 
                 18.734 
                 1.00 
                 18.12 
               
               
                 ATOM 
                 1528 
                 C 
                 THR 
                 860 
                 7.969 
                 2.855 
                 15.765 
                 1.00 
                 20.30 
               
               
                 ATOM 
                 1529 
                 O 
                 THR 
                 860 
                 8.922 
                 2.108 
                 15.985 
                 1.00 
                 20.28 
               
               
                 ATOM 
                 1530 
                 N 
                 LYS 
                 861 
                 7.040 
                 2.600 
                 14.851 
                 1.00 
                 21.02 
               
               
                 ATOM 
                 1531 
                 CA 
                 LYS 
                 861 
                 7.046 
                 1.411 
                 14.034 
                 1.00 
                 21.82 
               
               
                 ATOM 
                 1532 
                 CB 
                 LYS 
                 861 
                 5.649 
                 1.178 
                 13.475 
                 1.00 
                 23.82 
               
               
                 ATOM 
                 1533 
                 CG 
                 LYS 
                 861 
                 5.375 
                 −0.268 
                 13.110 
                 1.00 
                 26.71 
               
               
                 ATOM 
                 1534 
                 CD 
                 LYS 
                 861 
                 5.015 
                 −1.106 
                 14.321 
                 1.00 
                 28.40 
               
               
                 ATOM 
                 1535 
                 CE 
                 LYS 
                 861 
                 4.924 
                 −2.587 
                 13.922 
                 1.00 
                 30.14 
               
               
                 ATOM 
                 1536 
                 NZ 
                 LYS 
                 861 
                 4.542 
                 −3.514 
                 15.050 
                 1.00 
                 31.53 
               
               
                 ATOM 
                 1537 
                 C 
                 LYS 
                 861 
                 8.040 
                 1.642 
                 12.895 
                 1.00 
                 21.28 
               
               
                 ATOM 
                 1538 
                 O 
                 LYS 
                 861 
                 8.781 
                 0.750 
                 12.510 
                 1.00 
                 21.01 
               
               
                 ATOM 
                 1539 
                 N 
                 LEU 
                 862 
                 8.093 
                 2.863 
                 12.389 
                 1.00 
                 21.49 
               
               
                 ATOM 
                 1540 
                 CA 
                 LEU 
                 862 
                 9.021 
                 3.192 
                 11.311 
                 1.00 
                 21.32 
               
               
                 ATOM 
                 1541 
                 CB 
                 LEU 
                 862 
                 8.713 
                 4.577 
                 10.731 
                 1.00 
                 22.14 
               
               
                 ATOM 
                 1542 
                 CG 
                 LEU 
                 862 
                 9.816 
                 5.281 
                 9.921 
                 1.00 
                 21.98 
               
               
                 ATOM 
                 1543 
                 CD1 
                 LEU 
                 862 
                 10.022 
                 4.563 
                 8.622 
                 1.00 
                 22.72 
               
               
                 ATOM 
                 1544 
                 CD2 
                 LEU 
                 862 
                 9.456 
                 6.726 
                 9.670 
                 1.00 
                 22.58 
               
               
                 ATOM 
                 1545 
                 C 
                 LEU 
                 862 
                 10.438 
                 3.181 
                 11.854 
                 1.00 
                 21.15 
               
               
                 ATOM 
                 1546 
                 O 
                 LEU 
                 862 
                 11.386 
                 2.884 
                 11.133 
                 1.00 
                 22.30 
               
               
                 ATOM 
                 1547 
                 N 
                 LEU 
                 863 
                 10.596 
                 3.602 
                 13.105 
                 1.00 
                 20.71 
               
               
                 ATOM 
                 1548 
                 CA 
                 LEU 
                 863 
                 11.906 
                 3.625 
                 13.749 
                 1.00 
                 18.90 
               
               
                 ATOM 
                 1549 
                 CB 
                 LEU 
                 863 
                 11.827 
                 4.423 
                 15.040 
                 1.00 
                 18.78 
               
               
                 ATOM 
                 1550 
                 CG 
                 LEU 
                 863 
                 11.890 
                 5.931 
                 14.863 
                 1.00 
                 18.02 
               
               
                 ATOM 
                 1551 
                 CD1 
                 LEU 
                 863 
                 12.103 
                 6.545 
                 16.230 
                 1.00 
                 19.67 
               
               
                 ATOM 
                 1552 
                 CD2 
                 LEU 
                 863 
                 13.049 
                 6.291 
                 13.944 
                 1.00 
                 16.59 
               
               
                 ATOM 
                 1553 
                 C 
                 LEU 
                 863 
                 12.462 
                 2.218 
                 14.004 
                 1.00 
                 18.08 
               
               
                 ATOM 
                 1554 
                 O 
                 LEU 
                 863 
                 13.676 
                 1.984 
                 13.895 
                 1.00 
                 17.06 
               
               
                 ATOM 
                 1555 
                 N 
                 ASP 
                 864 
                 11.592 
                 1.307 
                 14.436 
                 1.00 
                 18.33 
               
               
                 ATOM 
                 1556 
                 CA 
                 ASP 
                 864 
                 11.985 
                 −0.088 
                 14.642 
                 1.00 
                 19.28 
               
               
                 ATOM 
                 1557 
                 CB 
                 ASP 
                 864 
                 10.797 
                 −0.917 
                 15.143 
                 1.00 
                 19.27 
               
               
                 ATOM 
                 1558 
                 CG 
                 ASP 
                 864 
                 10.525 
                 −0.727 
                 16.620 
                 1.00 
                 19.92 
               
               
                 ATOM 
                 1559 
                 OD1 
                 ASP 
                 864 
                 11.256 
                 0.045 
                 17.271 
                 1.00 
                 20.94 
               
               
                 ATOM 
                 1560 
                 OD2 
                 ASP 
                 864 
                 9.577 
                 −1.364 
                 17.116 
                 1.00 
                 19.39 
               
               
                 ATOM 
                 1561 
                 C 
                 ASP 
                 864 
                 12.467 
                 −0.692 
                 13.321 
                 1.00 
                 19.06 
               
               
                 ATOM 
                 1562 
                 O 
                 ASP 
                 864 
                 13.377 
                 −1.519 
                 13.298 
                 1.00 
                 18.82 
               
               
                 ATOM 
                 1563 
                 N 
                 SER 
                 865 
                 11.847 
                 −0.263 
                 12.222 
                 1.00 
                 19.90 
               
               
                 ATOM 
                 1564 
                 CA 
                 SER 
                 865 
                 12.202 
                 −0.764 
                 10.894 
                 1.00 
                 19.17 
               
               
                 ATOM 
                 1565 
                 CB 
                 SER 
                 865 
                 11.226 
                 −0.289 
                 9.798 
                 1.00 
                 18.59 
               
               
                 ATOM 
                 1566 
                 OG 
                 SER 
                 865 
                 11.167 
                 1.123 
                 9.613 
                 1.00 
                 19.91 
               
               
                 ATOM 
                 1567 
                 C 
                 SER 
                 865 
                 13.634 
                 −0.507 
                 10.489 
                 1.00 
                 18.01 
               
               
                 ATOM 
                 1568 
                 O 
                 SER 
                 865 
                 14.213 
                 −1.294 
                 9.765 
                 1.00 
                 18.93 
               
               
                 ATOM 
                 1569 
                 N 
                 VAL 
                 866 
                 14.257 
                 0.535 
                 11.004 
                 1.00 
                 17.08 
               
               
                 ATOM 
                 1570 
                 CA 
                 VAL 
                 866 
                 15.619 
                 0.747 
                 10.589 
                 1.00 
                 15.20 
               
               
                 ATOM 
                 1571 
                 CB 
                 VAL 
                 866 
                 16.093 
                 2.211 
                 10.783 
                 1.00 
                 15.01 
               
               
                 ATOM 
                 1572 
                 CG1 
                 VAL 
                 866 
                 14.982 
                 3.081 
                 11.320 
                 1.00 
                 13.81 
               
               
                 ATOM 
                 1573 
                 CG2 
                 VAL 
                 866 
                 17.344 
                 2.280 
                 11.574 
                 1.00 
                 13.41 
               
               
                 ATOM 
                 1574 
                 C 
                 VAL 
                 866 
                 16.564 
                 −0.260 
                 11.194 
                 1.00 
                 14.83 
               
               
                 ATOM 
                 1575 
                 O 
                 VAL 
                 866 
                 17.625 
                 −0.518 
                 10.641 
                 1.00 
                 14.66 
               
               
                 ATOM 
                 1576 
                 N 
                 GLN 
                 867 
                 16.168 
                 −0.873 
                 12.302 
                 1.00 
                 15.12 
               
               
                 ATOM 
                 1577 
                 CA 
                 GLN 
                 867 
                 17.031 
                 −1.849 
                 12.977 
                 1.00 
                 15.64 
               
               
                 ATOM 
                 1578 
                 CB 
                 GLN 
                 867 
                 16.508 
                 −2.155 
                 14.374 
                 1.00 
                 16.10 
               
               
                 ATOM 
                 1579 
                 CG 
                 GLN 
                 867 
                 16.526 
                 −0.968 
                 15.315 
                 1.00 
                 16.35 
               
               
                 ATOM 
                 1580 
                 CD 
                 GLN 
                 867 
                 17.910 
                 −0.474 
                 15.672 
                 1.00 
                 17.91 
               
               
                 ATOM 
                 1581 
                 OE1 
                 GLN 
                 867 
                 18.924 
                 −1.175 
                 15.510 
                 1.00 
                 17.76 
               
               
                 ATOM 
                 1582 
                 NE2 
                 GLN 
                 867 
                 17.958 
                 0.750 
                 16.201 
                 1.00 
                 17.53 
               
               
                 ATOM 
                 1583 
                 C 
                 GLN 
                 867 
                 17.358 
                 −3.143 
                 12.233 
                 1.00 
                 14.54 
               
               
                 ATOM 
                 1584 
                 O 
                 GLN 
                 867 
                 18.487 
                 −3.594 
                 12.271 
                 1.00 
                 15.92 
               
               
                 ATOM 
                 1585 
                 N 
                 PRO 
                 868 
                 16.364 
                 −3.809 
                 11.634 
                 1.00 
                 14.35 
               
               
                 ATOM 
                 1586 
                 CD 
                 PRO 
                 868 
                 14.914 
                 −3.555 
                 11.696 
                 1.00 
                 15.17 
               
               
                 ATOM 
                 1587 
                 CA 
                 PRO 
                 868 
                 16.630 
                 −5.040 
                 10.886 
                 1.00 
                 13.73 
               
               
                 ATOM 
                 1588 
                 CB 
                 PRO 
                 868 
                 15.232 
                 −5.465 
                 10.415 
                 1.00 
                 14.35 
               
               
                 ATOM 
                 1589 
                 CG 
                 PRO 
                 868 
                 14.331 
                 −4.928 
                 11.438 
                 1.00 
                 14.42 
               
               
                 ATOM 
                 1590 
                 C 
                 PRO 
                 868 
                 17.500 
                 −4.704 
                 9.674 
                 1.00 
                 13.45 
               
               
                 ATOM 
                 1591 
                 O 
                 PRO 
                 868 
                 18.341 
                 −5.497 
                 9.254 
                 1.00 
                 14.77 
               
               
                 ATOM 
                 1592 
                 N 
                 ILE 
                 869 
                 17.289 
                 −3.514 
                 9.113 
                 1.00 
                 13.49 
               
               
                 ATOM 
                 1593 
                 CA 
                 ILE 
                 869 
                 18.043 
                 −3.044 
                 7.970 
                 1.00 
                 12.06 
               
               
                 ATOM 
                 1594 
                 CB 
                 ILE 
                 869 
                 17.447 
                 −1.740 
                 7.358 
                 1.00 
                 12.53 
               
               
                 ATOM 
                 1595 
                 CG2 
                 ILE 
                 869 
                 18.272 
                 −1.307 
                 6.175 
                 1.00 
                 12.44 
               
               
                 ATOM 
                 1596 
                 CG1 
                 ILE 
                 869 
                 15.998 
                 −1.973 
                 6.928 
                 1.00 
                 12.25 
               
               
                 ATOM 
                 1597 
                 CD1 
                 ILE 
                 869 
                 15.258 
                 −0.746 
                 6.432 
                 1.00 
                 11.91 
               
               
                 ATOM 
                 1598 
                 C 
                 ILE 
                 869 
                 19.458 
                 −2.818 
                 8.411 
                 1.00 
                 11.70 
               
               
                 ATOM 
                 1599 
                 O 
                 ILE 
                 869 
                 20.356 
                 −3.302 
                 7.755 
                 1.00 
                 13.01 
               
               
                 ATOM 
                 1600 
                 N 
                 ALA 
                 870 
                 19.655 
                 −2.254 
                 9.610 
                 1.00 
                 12.19 
               
               
                 ATOM 
                 1601 
                 CA 
                 ALA 
                 870 
                 21.007 
                 −1.993 
                 10.110 
                 1.00 
                 11.52 
               
               
                 ATOM 
                 1602 
                 CB 
                 ALA 
                 870 
                 20.971 
                 −1.189 
                 11.375 
                 1.00 
                 10.62 
               
               
                 ATOM 
                 1603 
                 C 
                 ALA 
                 870 
                 21.758 
                 −3.287 
                 10.350 
                 1.00 
                 12.90 
               
               
                 ATOM 
                 1604 
                 O 
                 ALA 
                 870 
                 22.955 
                 −3.374 
                 10.074 
                 1.00 
                 13.99 
               
               
                 ATOM 
                 1605 
                 N 
                 ARG 
                 871 
                 21.082 
                 −4.262 
                 10.962 
                 1.00 
                 14.67 
               
               
                 ATOM 
                 1606 
                 CA 
                 ARG 
                 871 
                 21.659 
                 −5.577 
                 11.226 
                 1.00 
                 15.30 
               
               
                 ATOM 
                 1607 
                 CB 
                 ARG 
                 871 
                 20.668 
                 −6.465 
                 11.970 
                 1.00 
                 16.99 
               
               
                 ATOM 
                 1608 
                 CG 
                 ARG 
                 871 
                 21.317 
                 −7.789 
                 12.304 
                 1.00 
                 20.44 
               
               
                 ATOM 
                 1609 
                 CD 
                 ARG 
                 871 
                 20.552 
                 −8.755 
                 13.190 
                 1.00 
                 22.19 
               
               
                 ATOM 
                 1610 
                 NE 
                 ARG 
                 871 
                 21.529 
                 −9.736 
                 13.678 
                 1.00 
                 25.05 
               
               
                 ATOM 
                 1611 
                 CZ 
                 ARG 
                 871 
                 22.248 
                 −9.581 
                 14.785 
                 1.00 
                 24.87 
               
               
                 ATOM 
                 1612 
                 NH1 
                 ARG 
                 871 
                 22.085 
                 −8.513 
                 15.553 
                 1.00 
                 26.86 
               
               
                 ATOM 
                 1613 
                 NH2 
                 ARG 
                 871 
                 23.221 
                 −10.425 
                 15.059 
                 1.00 
                 27.12 
               
               
                 ATOM 
                 1614 
                 C 
                 ARG 
                 871 
                 22.119 
                 −6.287 
                 9.939 
                 1.00 
                 16.18 
               
               
                 ATOM 
                 1615 
                 O 
                 ARG 
                 871 
                 23.216 
                 −6.846 
                 9.897 
                 1.00 
                 16.90 
               
               
                 ATOM 
                 1616 
                 N 
                 GLU 
                 872 
                 21.300 
                 −6.256 
                 8.886 
                 1.00 
                 17.08 
               
               
                 ATOM 
                 1617 
                 CA 
                 GLU 
                 872 
                 21.669 
                 −6.874 
                 7.595 
                 1.00 
                 17.70 
               
               
                 ATOM 
                 1618 
                 CB 
                 GLU 
                 872 
                 20.546 
                 −6.670 
                 6.578 
                 1.00 
                 20.21 
               
               
                 ATOM 
                 1619 
                 CG 
                 GLU 
                 872 
                 20.070 
                 −7.920 
                 5.827 
                 1.00 
                 27.32 
               
               
                 ATOM 
                 1620 
                 CD 
                 GLU 
                 872 
                 19.041 
                 −7.600 
                 4.715 
                 1.00 
                 31.24 
               
               
                 ATOM 
                 1621 
                 OE1 
                 GLU 
                 872 
                 19.199 
                 −8.069 
                 3.544 
                 1.00 
                 32.65 
               
               
                 ATOM 
                 1622 
                 OE2 
                 GLU 
                 872 
                 18.068 
                 −6.867 
                 5.018 
                 1.00 
                 33.14 
               
               
                 ATOM 
                 1623 
                 C 
                 GLU 
                 872 
                 22.961 
                 −6.229 
                 7.064 
                 1.00 
                 16.22 
               
               
                 ATOM 
                 1624 
                 O 
                 GLU 
                 872 
                 23.826 
                 −6.892 
                 6.504 
                 1.00 
                 16.64 
               
               
                 ATOM 
                 1625 
                 N 
                 LEU 
                 873 
                 23.109 
                 −4.927 
                 7.254 
                 1.00 
                 15.48 
               
               
                 ATOM 
                 1626 
                 CA 
                 LEU 
                 873 
                 24.304 
                 −4.230 
                 6.781 
                 1.00 
                 13.64 
               
               
                 ATOM 
                 1627 
                 CB 
                 LEU 
                 873 
                 24.040 
                 −2.718 
                 6.664 
                 1.00 
                 13.09 
               
               
                 ATOM 
                 1628 
                 CG 
                 LEU 
                 873 
                 22.957 
                 −2.359 
                 5.640 
                 1.00 
                 12.60 
               
               
                 ATOM 
                 1629 
                 CD1 
                 LEU 
                 873 
                 22.396 
                 −0.985 
                 5.856 
                 1.00 
                 13.12 
               
               
                 ATOM 
                 1630 
                 CD2 
                 LEU 
                 873 
                 23.511 
                 −2.529 
                 4.229 
                 1.00 
                 12.29 
               
               
                 ATOM 
                 1631 
                 C 
                 LEU 
                 873 
                 25.489 
                 −4.510 
                 7.662 
                 1.00 
                 13.26 
               
               
                 ATOM 
                 1632 
                 O 
                 LEU 
                 873 
                 26.621 
                 −4.541 
                 7.185 
                 1.00 
                 12.91 
               
               
                 ATOM 
                 1633 
                 N 
                 HIS 
                 874 
                 25.237 
                 −4.688 
                 8.960 
                 1.00 
                 14.96 
               
               
                 ATOM 
                 1634 
                 CA 
                 HIS 
                 874 
                 26.297 
                 −5.011 
                 9.935 
                 1.00 
                 15.73 
               
               
                 ATOM 
                 1635 
                 CB 
                 HIS 
                 874 
                 25.735 
                 −5.154 
                 11.351 
                 1.00 
                 14.09 
               
               
                 ATOM 
                 1636 
                 CG 
                 HIS 
                 874 
                 25.513 
                 −3.860 
                 12.062 
                 1.00 
                 13.53 
               
               
                 ATOM 
                 1637 
                 CD2 
                 HIS 
                 874 
                 26.303 
                 −2.769 
                 12.204 
                 1.00 
                 12.74 
               
               
                 ATOM 
                 1638 
                 ND1 
                 HIS 
                 874 
                 24.365 
                 −3.588 
                 12.771 
                 1.00 
                 12.74 
               
               
                 ATOM 
                 1639 
                 CE1 
                 HIS 
                 874 
                 24.451 
                 −2.397 
                 13.313 
                 1.00 
                 11.45 
               
               
                 ATOM 
                 1640 
                 NE2 
                 HIS 
                 874 
                 25.616 
                 −1.878 
                 12.990 
                 1.00 
                 10.87 
               
               
                 ATOM 
                 1641 
                 C 
                 HIS 
                 874 
                 26.945 
                 −6.342 
                 9.549 
                 1.00 
                 16.66 
               
               
                 ATOM 
                 1642 
                 O 
                 HIS 
                 874 
                 28.171 
                 −6.454 
                 9.539 
                 1.00 
                 16.68 
               
               
                 ATOM 
                 1643 
                 N 
                 GLN 
                 875 
                 26.122 
                 −7.356 
                 9.268 
                 1.00 
                 18.67 
               
               
                 ATOM 
                 1644 
                 CA 
                 GLN 
                 875 
                 26.635 
                 −8.674 
                 8.853 
                 1.00 
                 19.45 
               
               
                 ATOM 
                 1645 
                 CB 
                 GLN 
                 875 
                 25.507 
                 −9.726 
                 8.779 
                 1.00 
                 21.56 
               
               
                 ATOM 
                 1646 
                 CG 
                 GLN 
                 875 
                 25.566 
                 −10.875 
                 9.864 
                 1.00 
                 25.76 
               
               
                 ATOM 
                 1647 
                 CD 
                 GLN 
                 875 
                 26.681 
                 −11.938 
                 9.671 
                 1.00 
                 26.74 
               
               
                 ATOM 
                 1648 
                 OE1 
                 GLN 
                 875 
                 27.871 
                 −11.624 
                 9.654 
                 1.00 
                 27.36 
               
               
                 ATOM 
                 1649 
                 NE2 
                 GLN 
                 875 
                 26.285 
                 −13.204 
                 9.589 
                 1.00 
                 27.93 
               
               
                 ATOM 
                 1650 
                 C 
                 GLN 
                 875 
                 27.324 
                 −8.521 
                 7.491 
                 1.00 
                 18.37 
               
               
                 ATOM 
                 1651 
                 O 
                 GLN 
                 875 
                 28.428 
                 −9.022 
                 7.294 
                 1.00 
                 18.65 
               
               
                 ATOM 
                 1652 
                 N 
                 PHE 
                 876 
                 26.737 
                 −7.724 
                 6.597 
                 1.00 
                 18.47 
               
               
                 ATOM 
                 1653 
                 CA 
                 PHE 
                 876 
                 27.338 
                 −7.515 
                 5.280 
                 1.00 
                 18.22 
               
               
                 ATOM 
                 1654 
                 CB 
                 PHE 
                 876 
                 26.453 
                 −6.641 
                 4.377 
                 1.00 
                 19.25 
               
               
                 ATOM 
                 1655 
                 CG 
                 PHE 
                 876 
                 26.966 
                 −6.506 
                 2.954 
                 1.00 
                 19.63 
               
               
                 ATOM 
                 1656 
                 CD1 
                 PHE 
                 876 
                 28.038 
                 −5.675 
                 2.657 
                 1.00 
                 18.97 
               
               
                 ATOM 
                 1657 
                 CD2 
                 PHE 
                 876 
                 26.380 
                 −7.226 
                 1.917 
                 1.00 
                 19.90 
               
               
                 ATOM 
                 1658 
                 CE1 
                 PHE 
                 876 
                 28.519 
                 −5.558 
                 1.343 
                 1.00 
                 20.30 
               
               
                 ATOM 
                 1659 
                 CE2 
                 PHE 
                 876 
                 26.857 
                 −7.113 
                 0.597 
                 1.00 
                 20.70 
               
               
                 ATOM 
                 1660 
                 CZ 
                 PHE 
                 876 
                 27.926 
                 −6.281 
                 0.310 
                 1.00 
                 18.82 
               
               
                 ATOM 
                 1661 
                 C 
                 PHE 
                 876 
                 28.689 
                 −6.871 
                 5.403 
                 1.00 
                 17.76 
               
               
                 ATOM 
                 1662 
                 O 
                 PHE 
                 876 
                 29.687 
                 −7.412 
                 4.920 
                 1.00 
                 17.95 
               
               
                 ATOM 
                 1663 
                 N 
                 THR 
                 877 
                 28.741 
                 −5.732 
                 6.086 
                 1.00 
                 17.85 
               
               
                 ATOM 
                 1664 
                 CA 
                 THR 
                 877 
                 30.002 
                 −5.024 
                 6.215 
                 1.00 
                 17.77 
               
               
                 ATOM 
                 1665 
                 CB 
                 THR 
                 877 
                 29.855 
                 −3.641 
                 6.915 
                 1.00 
                 18.24 
               
               
                 ATOM 
                 1666 
                 OG1 
                 THR 
                 877 
                 30.954 
                 −2.808 
                 6.525 
                 1.00 
                 19.13 
               
               
                 ATOM 
                 1667 
                 CG2 
                 THR 
                 877 
                 29.868 
                 −3.765 
                 8.444 
                 1.00 
                 17.92 
               
               
                 ATOM 
                 1668 
                 C 
                 THR 
                 877 
                 31.040 
                 −5.884 
                 6.900 
                 1.00 
                 17.52 
               
               
                 ATOM 
                 1669 
                 O 
                 THR 
                 877 
                 32.208 
                 −5.849 
                 6.514 
                 1.00 
                 16.51 
               
               
                 ATOM 
                 1670 
                 N 
                 PHE 
                 878 
                 30.634 
                 −6.610 
                 7.943 
                 1.00 
                 18.06 
               
               
                 ATOM 
                 1671 
                 CA 
                 PHE 
                 878 
                 31.559 
                 −7.501 
                 8.651 
                 1.00 
                 19.20 
               
               
                 ATOM 
                 1672 
                 CB 
                 PHE 
                 878 
                 30.863 
                 −8.201 
                 9.805 
                 1.00 
                 19.53 
               
               
                 ATOM 
                 1673 
                 CG 
                 PHE 
                 878 
                 31.731 
                 −9.220 
                 10.484 
                 1.00 
                 20.60 
               
               
                 ATOM 
                 1674 
                 CD1 
                 PHE 
                 878 
                 32.681 
                 −8.829 
                 11.414 
                 1.00 
                 19.88 
               
               
                 ATOM 
                 1675 
                 CD2 
                 PHE 
                 878 
                 31.623 
                 −10.575 
                 10.150 
                 1.00 
                 20.59 
               
               
                 ATOM 
                 1676 
                 CE1 
                 PHE 
                 878 
                 33.518 
                 −9.774 
                 12.008 
                 1.00 
                 22.10 
               
               
                 ATOM 
                 1677 
                 CE2 
                 PHE 
                 878 
                 32.454 
                 −11.532 
                 10.733 
                 1.00 
                 20.21 
               
               
                 ATOM 
                 1678 
                 CZ 
                 PHE 
                 878 
                 33.403 
                 −11.138 
                 11.660 
                 1.00 
                 20.82 
               
               
                 ATOM 
                 1679 
                 C 
                 PHE 
                 878 
                 32.176 
                 −8.567 
                 7.725 
                 1.00 
                 18.91 
               
               
                 ATOM 
                 1680 
                 O 
                 PHE 
                 878 
                 33.400 
                 −8.724 
                 7.670 
                 1.00 
                 17.63 
               
               
                 ATOM 
                 1681 
                 N 
                 ASP 
                 879 
                 31.326 
                 −9.268 
                 6.973 
                 1.00 
                 19.57 
               
               
                 ATOM 
                 1682 
                 CA 
                 ASP 
                 879 
                 31.800 
                 −10.301 
                 6.054 
                 1.00 
                 20.02 
               
               
                 ATOM 
                 1683 
                 CB 
                 ASP 
                 879 
                 30.622 
                 −10.972 
                 5.342 
                 1.00 
                 20.24 
               
               
                 ATOM 
                 1684 
                 CG 
                 ASP 
                 879 
                 29.693 
                 −11.724 
                 6.307 
                 1.00 
                 22.04 
               
               
                 ATOM 
                 1685 
                 OD1 
                 ASP 
                 879 
                 30.122 
                 −12.072 
                 7.443 
                 1.00 
                 23.16 
               
               
                 ATOM 
                 1686 
                 OD2 
                 ASP 
                 879 
                 28.520 
                 −11.968 
                 5.937 
                 1.00 
                 21.98 
               
               
                 ATOM 
                 1687 
                 C 
                 ASP 
                 879 
                 32.723 
                 −9.654 
                 5.044 
                 1.00 
                 20.35 
               
               
                 ATOM 
                 1688 
                 O 
                 ASP 
                 879 
                 33.802 
                 −10.171 
                 4.737 
                 1.00 
                 20.51 
               
               
                 ATOM 
                 1689 
                 N 
                 LEU 
                 880 
                 32.342 
                 −8.472 
                 4.580 
                 1.00 
                 20.77 
               
               
                 ATOM 
                 1690 
                 CA 
                 LEU 
                 880 
                 33.149 
                 −7.775 
                 3.596 
                 1.00 
                 20.33 
               
               
                 ATOM 
                 1691 
                 CB 
                 LEU 
                 880 
                 32.484 
                 −6.471 
                 3.180 
                 1.00 
                 20.23 
               
               
                 ATOM 
                 1692 
                 CG 
                 LEU 
                 880 
                 33.089 
                 −5.838 
                 1.939 
                 1.00 
                 18.50 
               
               
                 ATOM 
                 1693 
                 CD1 
                 LEU 
                 880 
                 33.310 
                 −6.886 
                 0.855 
                 1.00 
                 19.38 
               
               
                 ATOM 
                 1694 
                 CD2 
                 LEU 
                 880 
                 32.159 
                 −4.762 
                 1.477 
                 1.00 
                 18.07 
               
               
                 ATOM 
                 1695 
                 C 
                 LEU 
                 880 
                 34.529 
                 −7.496 
                 4.136 
                 1.00 
                 20.40 
               
               
                 ATOM 
                 1696 
                 O 
                 LEU 
                 880 
                 35.513 
                 −7.723 
                 3.453 
                 1.00 
                 21.41 
               
               
                 ATOM 
                 1697 
                 N 
                 LEU 
                 881 
                 34.602 
                 −7.040 
                 5.376 
                 1.00 
                 20.90 
               
               
                 ATOM 
                 1698 
                 CA 
                 LEU 
                 881 
                 35.882 
                 −6.723 
                 6.011 
                 1.00 
                 20.84 
               
               
                 ATOM 
                 1699 
                 CB 
                 LEU 
                 881 
                 35.651 
                 −6.055 
                 7.364 
                 1.00 
                 19.23 
               
               
                 ATOM 
                 1700 
                 CG 
                 LEU 
                 881 
                 36.989 
                 −5.773 
                 8.031 
                 1.00 
                 19.26 
               
               
                 ATOM 
                 1701 
                 CD1 
                 LEU 
                 881 
                 37.662 
                 −4.593 
                 7.350 
                 1.00 
                 19.67 
               
               
                 ATOM 
                 1702 
                 CD2 
                 LEU 
                 881 
                 36.810 
                 −5.514 
                 9.500 
                 1.00 
                 18.92 
               
               
                 ATOM 
                 1703 
                 C 
                 LEU 
                 881 
                 36.818 
                 −7.923 
                 6.188 
                 1.00 
                 21.55 
               
               
                 ATOM 
                 1704 
                 O 
                 LEU 
                 881 
                 38.055 
                 −7.806 
                 6.107 
                 1.00 
                 21.03 
               
               
                 ATOM 
                 1705 
                 N 
                 ILE 
                 882 
                 36.230 
                 −9.063 
                 6.492 
                 1.00 
                 22.39 
               
               
                 ATOM 
                 1706 
                 CA 
                 ILE 
                 882 
                 37.013 
                 −10.265 
                 6.671 
                 1.00 
                 23.63 
               
               
                 ATOM 
                 1707 
                 CB 
                 ILE 
                 882 
                 36.136 
                 −11.390 
                 7.248 
                 1.00 
                 23.00 
               
               
                 ATOM 
                 1708 
                 CG2 
                 ILE 
                 882 
                 36.855 
                 −12.729 
                 7.185 
                 1.00 
                 22.75 
               
               
                 ATOM 
                 1709 
                 CG1 
                 ILE 
                 882 
                 35.749 
                 −11.006 
                 8.675 
                 1.00 
                 22.91 
               
               
                 ATOM 
                 1710 
                 CD1 
                 ILE 
                 882 
                 36.922 
                 −10.412 
                 9.491 
                 1.00 
                 22.94 
               
               
                 ATOM 
                 1711 
                 C 
                 ILE 
                 882 
                 37.668 
                 −10.643 
                 5.340 
                 1.00 
                 24.48 
               
               
                 ATOM 
                 1712 
                 O 
                 ILE 
                 882 
                 38.859 
                 −10.953 
                 5.290 
                 1.00 
                 24.23 
               
               
                 ATOM 
                 1713 
                 N 
                 LYS 
                 883 
                 36.908 
                 −10.541 
                 4.256 
                 1.00 
                 25.73 
               
               
                 ATOM 
                 1714 
                 CA 
                 LYS 
                 883 
                 37.441 
                 −10.868 
                 2.945 
                 1.00 
                 28.25 
               
               
                 ATOM 
                 1715 
                 CB 
                 LYS 
                 883 
                 36.492 
                 −11.820 
                 2.211 
                 1.00 
                 27.47 
               
               
                 ATOM 
                 1716 
                 CG 
                 LYS 
                 883 
                 35.140 
                 −11.240 
                 1.932 
                 1.00 
                 27.17 
               
               
                 ATOM 
                 1717 
                 CD 
                 LYS 
                 883 
                 34.293 
                 −12.163 
                 1.109 
                 1.00 
                 27.60 
               
               
                 ATOM 
                 1718 
                 CE 
                 LYS 
                 883 
                 32.926 
                 −11.544 
                 0.899 
                 1.00 
                 28.94 
               
               
                 ATOM 
                 1719 
                 NZ 
                 LYS 
                 883 
                 32.036 
                 −12.319 
                 −0.003 
                 1.00 
                 29.99 
               
               
                 ATOM 
                 1720 
                 C 
                 LYS 
                 883 
                 37.749 
                 −9.657 
                 2.061 
                 1.00 
                 30.08 
               
               
                 ATOM 
                 1721 
                 O 
                 LYS 
                 883 
                 37.823 
                 −9.790 
                 0.841 
                 1.00 
                 30.81 
               
               
                 ATOM 
                 1722 
                 N 
                 SER 
                 884 
                 37.976 
                 −8.495 
                 2.672 
                 1.00 
                 32.24 
               
               
                 ATOM 
                 1723 
                 CA 
                 SER 
                 884 
                 38.268 
                 −7.260 
                 1.938 
                 1.00 
                 33.66 
               
               
                 ATOM 
                 1724 
                 CB 
                 SER 
                 884 
                 38.440 
                 −6.106 
                 2.921 
                 1.00 
                 32.96 
               
               
                 ATOM 
                 1725 
                 OG 
                 SER 
                 884 
                 39.466 
                 −6.384 
                 3.856 
                 1.00 
                 32.02 
               
               
                 ATOM 
                 1726 
                 C 
                 SER 
                 884 
                 39.500 
                 −7.349 
                 1.042 
                 1.00 
                 35.48 
               
               
                 ATOM 
                 1727 
                 O 
                 SER 
                 884 
                 39.491 
                 −6.867 
                 −0.087 
                 1.00 
                 35.08 
               
               
                 ATOM 
                 1728 
                 N 
                 HIS 
                 885 
                 40.557 
                 −7.969 
                 1.556 
                 1.00 
                 38.15 
               
               
                 ATOM 
                 1729 
                 CA 
                 HIS 
                 885 
                 41.815 
                 −8.138 
                 0.824 
                 1.00 
                 40.84 
               
               
                 ATOM 
                 1730 
                 CB 
                 HIS 
                 885 
                 42.882 
                 −8.688 
                 1.789 
                 1.00 
                 43.70 
               
               
                 ATOM 
                 1731 
                 CG 
                 HIS 
                 885 
                 44.032 
                 −9.392 
                 1.124 
                 1.00 
                 47.44 
               
               
                 ATOM 
                 1732 
                 CD2 
                 HIS 
                 885 
                 44.240 
                 −10.707 
                 0.860 
                 1.00 
                 49.14 
               
               
                 ATOM 
                 1733 
                 ND1 
                 HIS 
                 885 
                 45.172 
                 −8.737 
                 0.704 
                 1.00 
                 49.20 
               
               
                 ATOM 
                 1734 
                 CE1 
                 HIS 
                 885 
                 46.034 
                 −9.615 
                 0.217 
                 1.00 
                 49.74 
               
               
                 ATOM 
                 1735 
                 NE2 
                 HIS 
                 885 
                 45.493 
                 −10.818 
                 0.300 
                 1.00 
                 50.17 
               
               
                 ATOM 
                 1736 
                 C 
                 HIS 
                 885 
                 41.682 
                 −9.017 
                 −0.432 
                 1.00 
                 41.12 
               
               
                 ATOM 
                 1737 
                 O 
                 HIS 
                 885 
                 42.563 
                 −9.010 
                 −1.288 
                 1.00 
                 41.51 
               
               
                 ATOM 
                 1738 
                 N 
                 MET 
                 886 
                 40.586 
                 −9.762 
                 −0.544 
                 1.00 
                 41.14 
               
               
                 ATOM 
                 1739 
                 CA 
                 MET 
                 886 
                 40.372 
                 −10.639 
                 −1.686 
                 1.00 
                 41.17 
               
               
                 ATOM 
                 1740 
                 CB 
                 MET 
                 886 
                 39.859 
                 −11.989 
                 −1.212 
                 1.00 
                 43.08 
               
               
                 ATOM 
                 1741 
                 CG 
                 MET 
                 886 
                 40.928 
                 −12.860 
                 −0.584 
                 1.00 
                 45.59 
               
               
                 ATOM 
                 1742 
                 SD 
                 MET 
                 886 
                 40.175 
                 −14.113 
                 0.457 
                 1.00 
                 50.78 
               
               
                 ATOM 
                 1743 
                 CE 
                 MET 
                 886 
                 39.069 
                 −14.971 
                 −0.725 
                 1.00 
                 48.51 
               
               
                 ATOM 
                 1744 
                 C 
                 MET 
                 886 
                 39.455 
                 −10.074 
                 −2.761 
                 1.00 
                 40.68 
               
               
                 ATOM 
                 1745 
                 O 
                 MET 
                 886 
                 39.535 
                 −10.476 
                 −3.923 
                 1.00 
                 41.66 
               
               
                 ATOM 
                 1746 
                 N 
                 VAL 
                 887 
                 38.542 
                 −9.193 
                 −2.370 
                 1.00 
                 39.25 
               
               
                 ATOM 
                 1747 
                 CA 
                 VAL 
                 887 
                 37.637 
                 −8.565 
                 −3.333 
                 1.00 
                 37.55 
               
               
                 ATOM 
                 1748 
                 CB 
                 VAL 
                 887 
                 36.187 
                 −8.459 
                 −2.802 
                 1.00 
                 37.19 
               
               
                 ATOM 
                 1749 
                 CG1 
                 VAL 
                 887 
                 35.526 
                 −9.828 
                 −2.756 
                 1.00 
                 37.49 
               
               
                 ATOM 
                 1750 
                 CG2 
                 VAL 
                 887 
                 36.175 
                 −7.817 
                 −1.429 
                 1.00 
                 36.99 
               
               
                 ATOM 
                 1751 
                 C 
                 VAL 
                 887 
                 38.145 
                 −7.168 
                 −3.702 
                 1.00 
                 37.08 
               
               
                 ATOM 
                 1752 
                 O 
                 VAL 
                 887 
                 37.484 
                 −6.444 
                 −4.442 
                 1.00 
                 37.26 
               
               
                 ATOM 
                 1753 
                 N 
                 SER 
                 888 
                 39.320 
                 −6.809 
                 −3.188 
                 1.00 
                 35.90 
               
               
                 ATOM 
                 1754 
                 CA 
                 SER 
                 888 
                 39.955 
                 −5.515 
                 −3.437 
                 1.00 
                 35.05 
               
               
                 ATOM 
                 1755 
                 CB 
                 SER 
                 888 
                 40.231 
                 −5.342 
                 −4.929 
                 1.00 
                 35.29 
               
               
                 ATOM 
                 1756 
                 OG 
                 SER 
                 888 
                 41.335 
                 −6.133 
                 −5.326 
                 1.00 
                 36.74 
               
               
                 ATOM 
                 1757 
                 C 
                 SER 
                 888 
                 39.216 
                 −4.290 
                 −2.898 
                 1.00 
                 34.27 
               
               
                 ATOM 
                 1758 
                 O 
                 SER 
                 888 
                 39.402 
                 −3.179 
                 −3.396 
                 1.00 
                 34.78 
               
               
                 ATOM 
                 1759 
                 N 
                 VAL 
                 889 
                 38.391 
                 −4.485 
                 −1.875 
                 1.00 
                 32.78 
               
               
                 ATOM 
                 1760 
                 CA 
                 VAL 
                 889 
                 37.636 
                 −3.386 
                 −1.283 
                 1.00 
                 31.50 
               
               
                 ATOM 
                 1761 
                 CB 
                 VAL 
                 889 
                 36.244 
                 −3.857 
                 −0.772 
                 1.00 
                 30.79 
               
               
                 ATOM 
                 1762 
                 CG1 
                 VAL 
                 889 
                 35.509 
                 −2.729 
                 −0.055 
                 1.00 
                 30.12 
               
               
                 ATOM 
                 1763 
                 CG2 
                 VAL 
                 889 
                 35.410 
                 −4.364 
                 −1.903 
                 1.00 
                 30.08 
               
               
                 ATOM 
                 1764 
                 C 
                 VAL 
                 889 
                 38.410 
                 −3.002 
                 −0.064 
                 1.00 
                 31.36 
               
               
                 ATOM 
                 1765 
                 O 
                 VAL 
                 889 
                 38.855 
                 −3.895 
                 0.648 
                 1.00 
                 32.20 
               
               
                 ATOM 
                 1766 
                 N 
                 ASP 
                 890 
                 38.692 
                 −1.724 
                 0.156 
                 1.00 
                 31.10 
               
               
                 ATOM 
                 1767 
                 CA 
                 ASP 
                 890 
                 39.364 
                 −1.428 
                 1.414 
                 1.00 
                 30.80 
               
               
                 ATOM 
                 1768 
                 CB 
                 ASP 
                 890 
                 40.849 
                 −1.093 
                 1.296 
                 1.00 
                 33.89 
               
               
                 ATOM 
                 1769 
                 CG 
                 ASP 
                 890 
                 41.720 
                 −1.949 
                 2.261 
                 1.00 
                 35.96 
               
               
                 ATOM 
                 1770 
                 OD1 
                 ASP 
                 890 
                 41.248 
                 −2.314 
                 3.373 
                 1.00 
                 35.86 
               
               
                 ATOM 
                 1771 
                 OD2 
                 ASP 
                 890 
                 42.882 
                 −2.260 
                 1.901 
                 1.00 
                 37.33 
               
               
                 ATOM 
                 1772 
                 C 
                 ASP 
                 890 
                 38.629 
                 −0.493 
                 2.326 
                 1.00 
                 28.51 
               
               
                 ATOM 
                 1773 
                 O 
                 ASP 
                 890 
                 37.889 
                 0.379 
                 1.889 
                 1.00 
                 27.96 
               
               
                 ATOM 
                 1774 
                 N 
                 PHE 
                 891 
                 38.761 
                 −0.782 
                 3.610 
                 1.00 
                 26.20 
               
               
                 ATOM 
                 1775 
                 CA 
                 PHE 
                 891 
                 38.096 
                 −0.045 
                 4.661 
                 1.00 
                 24.15 
               
               
                 ATOM 
                 1776 
                 CB 
                 PHE 
                 891 
                 37.595 
                 −1.027 
                 5.732 
                 1.00 
                 20.51 
               
               
                 ATOM 
                 1777 
                 CG 
                 PHE 
                 891 
                 36.501 
                 −1.937 
                 5.259 
                 1.00 
                 16.33 
               
               
                 ATOM 
                 1778 
                 CD1 
                 PHE 
                 891 
                 36.741 
                 −2.892 
                 4.288 
                 1.00 
                 15.42 
               
               
                 ATOM 
                 1779 
                 CD2 
                 PHE 
                 891 
                 35.230 
                 −1.826 
                 5.773 
                 1.00 
                 14.37 
               
               
                 ATOM 
                 1780 
                 CE1 
                 PHE 
                 891 
                 35.720 
                 −3.730 
                 3.832 
                 1.00 
                 13.60 
               
               
                 ATOM 
                 1781 
                 CE2 
                 PHE 
                 891 
                 34.220 
                 −2.648 
                 5.335 
                 1.00 
                 14.04 
               
               
                 ATOM 
                 1782 
                 CZ 
                 PHE 
                 891 
                 34.467 
                 −3.607 
                 4.353 
                 1.00 
                 13.43 
               
               
                 ATOM 
                 1783 
                 C 
                 PHE 
                 891 
                 39.036 
                 0.942 
                 5.305 
                 1.00 
                 24.58 
               
               
                 ATOM 
                 1784 
                 O 
                 PHE 
                 891 
                 40.150 
                 0.574 
                 5.695 
                 1.00 
                 25.30 
               
               
                 ATOM 
                 1785 
                 N 
                 PRO 
                 892 
                 38.603 
                 2.209 
                 5.437 
                 1.00 
                 23.93 
               
               
                 ATOM 
                 1786 
                 CD 
                 PRO 
                 892 
                 37.376 
                 2.811 
                 4.909 
                 1.00 
                 22.44 
               
               
                 ATOM 
                 1787 
                 CA 
                 PRO 
                 892 
                 39.441 
                 3.234 
                 6.060 
                 1.00 
                 23.41 
               
               
                 ATOM 
                 1788 
                 CB 
                 PRO 
                 892 
                 38.582 
                 4.485 
                 5.940 
                 1.00 
                 23.21 
               
               
                 ATOM 
                 1789 
                 CG 
                 PRO 
                 892 
                 37.796 
                 4.241 
                 4.748 
                 1.00 
                 23.19 
               
               
                 ATOM 
                 1790 
                 C 
                 PRO 
                 892 
                 39.655 
                 2.866 
                 7.520 
                 1.00 
                 23.31 
               
               
                 ATOM 
                 1791 
                 O 
                 PRO 
                 892 
                 38.887 
                 2.090 
                 8.078 
                 1.00 
                 22.72 
               
               
                 ATOM 
                 1792 
                 N 
                 GLU 
                 893 
                 40.619 
                 3.517 
                 8.157 
                 1.00 
                 24.55 
               
               
                 ATOM 
                 1793 
                 CA 
                 GLU 
                 893 
                 40.984 
                 3.267 
                 9.555 
                 1.00 
                 26.50 
               
               
                 ATOM 
                 1794 
                 CB 
                 GLU 
                 893 
                 41.885 
                 4.385 
                 10.072 
                 1.00 
                 28.90 
               
               
                 ATOM 
                 1795 
                 CG 
                 GLU 
                 893 
                 42.329 
                 4.192 
                 11.509 
                 1.00 
                 33.98 
               
               
                 ATOM 
                 1796 
                 CD 
                 GLU 
                 893 
                 42.441 
                 5.498 
                 12.280 
                 1.00 
                 37.38 
               
               
                 ATOM 
                 1797 
                 OE1 
                 GLU 
                 893 
                 43.356 
                 6.292 
                 11.955 
                 1.00 
                 39.69 
               
               
                 ATOM 
                 1798 
                 OE2 
                 GLU 
                 893 
                 41.624 
                 5.729 
                 13.216 
                 1.00 
                 39.34 
               
               
                 ATOM 
                 1799 
                 C 
                 GLU 
                 893 
                 39.859 
                 3.054 
                 10.563 
                 1.00 
                 26.24 
               
               
                 ATOM 
                 1800 
                 O 
                 GLU 
                 893 
                 39.750 
                 1.992 
                 11.180 
                 1.00 
                 27.29 
               
               
                 ATOM 
                 1801 
                 N 
                 MET 
                 894 
                 39.052 
                 4.078 
                 10.782 
                 1.00 
                 26.07 
               
               
                 ATOM 
                 1802 
                 CA 
                 MET 
                 894 
                 37.968 
                 3.974 
                 11.744 
                 1.00 
                 26.28 
               
               
                 ATOM 
                 1803 
                 CB 
                 MET 
                 894 
                 37.313 
                 5.337 
                 11.954 
                 1.00 
                 28.30 
               
               
                 ATOM 
                 1804 
                 CG 
                 MET 
                 894 
                 38.256 
                 6.389 
                 12.509 
                 1.00 
                 32.56 
               
               
                 ATOM 
                 1805 
                 SD 
                 MET 
                 894 
                 38.847 
                 5.925 
                 14.144 
                 1.00 
                 38.01 
               
               
                 ATOM 
                 1806 
                 CE 
                 MET 
                 894 
                 37.260 
                 5.830 
                 15.037 
                 1.00 
                 35.95 
               
               
                 ATOM 
                 1807 
                 C 
                 MET 
                 894 
                 36.927 
                 2.918 
                 11.393 
                 1.00 
                 24.69 
               
               
                 ATOM 
                 1808 
                 O 
                 MET 
                 894 
                 36.337 
                 2.311 
                 12.287 
                 1.00 
                 24.64 
               
               
                 ATOM 
                 1809 
                 N 
                 MET 
                 895 
                 36.662 
                 2.743 
                 10.102 
                 1.00 
                 23.64 
               
               
                 ATOM 
                 1810 
                 CA 
                 MET 
                 895 
                 35.705 
                 1.738 
                 9.645 
                 1.00 
                 22.83 
               
               
                 ATOM 
                 1811 
                 CB 
                 MET 
                 895 
                 35.487 
                 1.824 
                 8.135 
                 1.00 
                 21.32 
               
               
                 ATOM 
                 1812 
                 CG 
                 MET 
                 895 
                 34.669 
                 3.006 
                 7.693 
                 1.00 
                 21.17 
               
               
                 ATOM 
                 1813 
                 SD 
                 MET 
                 895 
                 33.044 
                 3.064 
                 8.432 
                 1.00 
                 20.56 
               
               
                 ATOM 
                 1814 
                 CE 
                 MET 
                 895 
                 32.088 
                 2.305 
                 7.205 
                 1.00 
                 22.81 
               
               
                 ATOM 
                 1815 
                 C 
                 MET 
                 895 
                 36.171 
                 0.328 
                 10.032 
                 1.00 
                 22.26 
               
               
                 ATOM 
                 1816 
                 O 
                 MET 
                 895 
                 35.469 
                 −0.383 
                 10.714 
                 1.00 
                 22.26 
               
               
                 ATOM 
                 1817 
                 N 
                 ALA 
                 896 
                 37.362 
                 −0.066 
                 9.616 
                 1.00 
                 22.06 
               
               
                 ATOM 
                 1818 
                 CA 
                 ALA 
                 896 
                 37.867 
                 −1.378 
                 9.953 
                 1.00 
                 22.36 
               
               
                 ATOM 
                 1819 
                 CB 
                 ALA 
                 896 
                 39.243 
                 −1.588 
                 9.350 
                 1.00 
                 22.56 
               
               
                 ATOM 
                 1820 
                 C 
                 ALA 
                 896 
                 37.914 
                 −1.581 
                 11.460 
                 1.00 
                 22.96 
               
               
                 ATOM 
                 1821 
                 O 
                 ALA 
                 896 
                 37.520 
                 −2.630 
                 11.947 
                 1.00 
                 23.87 
               
               
                 ATOM 
                 1822 
                 N 
                 GLU 
                 897 
                 38.377 
                 −0.586 
                 12.212 
                 1.00 
                 23.92 
               
               
                 ATOM 
                 1823 
                 CA 
                 GLU 
                 897 
                 38.455 
                 −0.724 
                 13.666 
                 1.00 
                 24.05 
               
               
                 ATOM 
                 1824 
                 CB 
                 GLU 
                 897 
                 39.128 
                 0.502 
                 14.313 
                 1.00 
                 25.98 
               
               
                 ATOM 
                 1825 
                 CG 
                 GLU 
                 897 
                 39.288 
                 0.390 
                 15.841 
                 1.00 
                 27.50 
               
               
                 ATOM 
                 1826 
                 CD 
                 GLU 
                 897 
                 39.150 
                 1.718 
                 16.555 
                 1.00 
                 27.88 
               
               
                 ATOM 
                 1827 
                 OE1 
                 GLU 
                 897 
                 40.150 
                 2.453 
                 16.674 
                 1.00 
                 29.49 
               
               
                 ATOM 
                 1828 
                 OE2 
                 GLU 
                 897 
                 38.036 
                 2.018 
                 17.013 
                 1.00 
                 29.22 
               
               
                 ATOM 
                 1829 
                 C 
                 GLU 
                 897 
                 37.076 
                 −0.901 
                 14.276 
                 1.00 
                 22.80 
               
               
                 ATOM 
                 1830 
                 O 
                 GLU 
                 897 
                 36.873 
                 −1.774 
                 15.094 
                 1.00 
                 22.95 
               
               
                 ATOM 
                 1831 
                 N 
                 ILE 
                 898 
                 36.129 
                 −0.071 
                 13.884 
                 1.00 
                 22.19 
               
               
                 ATOM 
                 1832 
                 CA 
                 ILE 
                 898 
                 34.801 
                 −0.178 
                 14.459 
                 1.00 
                 21.88 
               
               
                 ATOM 
                 1833 
                 CB 
                 ILE 
                 898 
                 33.940 
                 1.077 
                 14.196 
                 1.00 
                 21.85 
               
               
                 ATOM 
                 1834 
                 CG2 
                 ILE 
                 898 
                 32.478 
                 0.836 
                 14.587 
                 1.00 
                 22.66 
               
               
                 ATOM 
                 1835 
                 CG1 
                 ILE 
                 898 
                 34.438 
                 2.233 
                 15.043 
                 1.00 
                 22.82 
               
               
                 ATOM 
                 1836 
                 CD1 
                 ILE 
                 898 
                 33.490 
                 3.390 
                 15.019 
                 1.00 
                 23.11 
               
               
                 ATOM 
                 1837 
                 C 
                 ILE 
                 898 
                 34.080 
                 −1.398 
                 13.968 
                 1.00 
                 20.49 
               
               
                 ATOM 
                 1838 
                 O 
                 ILE 
                 898 
                 33.228 
                 −1.917 
                 14.656 
                 1.00 
                 21.90 
               
               
                 ATOM 
                 1839 
                 N 
                 ILE 
                 899 
                 34.410 
                 −1.860 
                 12.781 
                 1.00 
                 19.59 
               
               
                 ATOM 
                 1840 
                 CA 
                 ILE 
                 899 
                 33.747 
                 −3.027 
                 12.248 
                 1.00 
                 19.42 
               
               
                 ATOM 
                 1841 
                 CB 
                 ILE 
                 899 
                 33.758 
                 −3.014 
                 10.706 
                 1.00 
                 19.12 
               
               
                 ATOM 
                 1842 
                 CG2 
                 ILE 
                 899 
                 33.095 
                 −4.285 
                 10.157 
                 1.00 
                 18.71 
               
               
                 ATOM 
                 1843 
                 CG1 
                 ILE 
                 899 
                 32.987 
                 −1.786 
                 10.187 
                 1.00 
                 18.56 
               
               
                 ATOM 
                 1844 
                 CD1 
                 ILE 
                 899 
                 33.054 
                 −1.588 
                 8.683 
                 1.00 
                 15.05 
               
               
                 ATOM 
                 1845 
                 C 
                 ILE 
                 899 
                 34.305 
                 −4.338 
                 12.832 
                 1.00 
                 19.02 
               
               
                 ATOM 
                 1846 
                 O 
                 ILE 
                 899 
                 33.571 
                 −5.300 
                 12.982 
                 1.00 
                 19.98 
               
               
                 ATOM 
                 1847 
                 N 
                 SER 
                 900 
                 35.565 
                 −4.344 
                 13.233 
                 1.00 
                 19.03 
               
               
                 ATOM 
                 1848 
                 CA 
                 SER 
                 900 
                 36.177 
                 −5.518 
                 13.822 
                 1.00 
                 19.74 
               
               
                 ATOM 
                 1849 
                 CB 
                 SER 
                 900 
                 37.614 
                 −5.631 
                 13.340 
                 1.00 
                 19.62 
               
               
                 ATOM 
                 1850 
                 OG 
                 SER 
                 900 
                 38.368 
                 −4.478 
                 13.683 
                 1.00 
                 22.08 
               
               
                 ATOM 
                 1851 
                 C 
                 SER 
                 900 
                 36.135 
                 −5.502 
                 15.355 
                 1.00 
                 20.48 
               
               
                 ATOM 
                 1852 
                 O 
                 SER 
                 900 
                 36.352 
                 −6.521 
                 16.010 
                 1.00 
                 21.19 
               
               
                 ATOM 
                 1853 
                 N 
                 VAL 
                 901 
                 35.866 
                 −4.346 
                 15.939 
                 1.00 
                 20.99 
               
               
                 ATOM 
                 1854 
                 CA 
                 VAL 
                 901 
                 35.808 
                 −4.235 
                 17.396 
                 1.00 
                 20.43 
               
               
                 ATOM 
                 1855 
                 CB 
                 VAL 
                 901 
                 36.705 
                 −3.074 
                 17.927 
                 1.00 
                 20.22 
               
               
                 ATOM 
                 1856 
                 CG1 
                 VAL 
                 901 
                 36.407 
                 −2.785 
                 19.382 
                 1.00 
                 20.37 
               
               
                 ATOM 
                 1857 
                 CG2 
                 VAL 
                 901 
                 38.168 
                 −3.436 
                 17.782 
                 1.00 
                 18.81 
               
               
                 ATOM 
                 1858 
                 C 
                 VAL 
                 901 
                 34.397 
                 −4.087 
                 17.935 
                 1.00 
                 20.42 
               
               
                 ATOM 
                 1859 
                 O 
                 VAL 
                 901 
                 33.999 
                 −4.823 
                 18.841 
                 1.00 
                 21.68 
               
               
                 ATOM 
                 1860 
                 N 
                 GLN 
                 902 
                 33.614 
                 −3.187 
                 17.350 
                 1.00 
                 19.34 
               
               
                 ATOM 
                 1861 
                 CA 
                 GLN 
                 902 
                 32.264 
                 −2.957 
                 17.828 
                 1.00 
                 17.55 
               
               
                 ATOM 
                 1862 
                 CB 
                 GLN 
                 902 
                 31.929 
                 −1.476 
                 17.735 
                 1.00 
                 19.32 
               
               
                 ATOM 
                 1863 
                 CG 
                 GLN 
                 902 
                 32.952 
                 −0.579 
                 18.371 
                 1.00 
                 20.82 
               
               
                 ATOM 
                 1864 
                 CD 
                 GLN 
                 902 
                 33.089 
                 −0.776 
                 19.861 
                 1.00 
                 23.15 
               
               
                 ATOM 
                 1865 
                 OE1 
                 GLN 
                 902 
                 32.211 
                 −1.336 
                 20.528 
                 1.00 
                 23.22 
               
               
                 ATOM 
                 1866 
                 NE2 
                 GLN 
                 902 
                 34.197 
                 −0.288 
                 20.404 
                 1.00 
                 25.36 
               
               
                 ATOM 
                 1867 
                 C 
                 GLN 
                 902 
                 31.145 
                 −3.766 
                 17.207 
                 1.00 
                 16.24 
               
               
                 ATOM 
                 1868 
                 O 
                 GLN 
                 902 
                 30.337 
                 −4.326 
                 17.938 
                 1.00 
                 15.40 
               
               
                 ATOM 
                 1869 
                 N 
                 VAL 
                 903 
                 31.075 
                 −3.810 
                 15.872 
                 1.00 
                 15.79 
               
               
                 ATOM 
                 1870 
                 CA 
                 VAL 
                 903 
                 30.025 
                 −4.552 
                 15.144 
                 1.00 
                 15.22 
               
               
                 ATOM 
                 1871 
                 CB 
                 VAL 
                 903 
                 30.195 
                 −4.461 
                 13.594 
                 1.00 
                 14.30 
               
               
                 ATOM 
                 1872 
                 CG1 
                 VAL 
                 903 
                 29.159 
                 −5.314 
                 12.883 
                 1.00 
                 13.20 
               
               
                 ATOM 
                 1873 
                 CG2 
                 VAL 
                 903 
                 30.012 
                 −3.005 
                 13.147 
                 1.00 
                 14.90 
               
               
                 ATOM 
                 1874 
                 C 
                 VAL 
                 903 
                 29.860 
                 −6.010 
                 15.605 
                 1.00 
                 14.74 
               
               
                 ATOM 
                 1875 
                 O 
                 VAL 
                 903 
                 28.732 
                 −6.489 
                 15.693 
                 1.00 
                 14.48 
               
               
                 ATOM 
                 1876 
                 N 
                 PRO 
                 904 
                 30.976 
                 −6.729 
                 15.893 
                 1.00 
                 14.65 
               
               
                 ATOM 
                 1877 
                 CD 
                 PRO 
                 904 
                 32.377 
                 −6.425 
                 15.571 
                 1.00 
                 13.72 
               
               
                 ATOM 
                 1878 
                 CA 
                 PRO 
                 904 
                 30.884 
                 −8.122 
                 16.356 
                 1.00 
                 15.80 
               
               
                 ATOM 
                 1879 
                 CB 
                 PRO 
                 904 
                 32.350 
                 −8.481 
                 16.602 
                 1.00 
                 15.45 
               
               
                 ATOM 
                 1880 
                 CG 
                 PRO 
                 904 
                 33.014 
                 −7.830 
                 15.512 
                 1.00 
                 14.60 
               
               
                 ATOM 
                 1881 
                 C 
                 PRO 
                 904 
                 30.053 
                 −8.206 
                 17.632 
                 1.00 
                 16.77 
               
               
                 ATOM 
                 1882 
                 O 
                 PRO 
                 904 
                 29.151 
                 −9.039 
                 17.713 
                 1.00 
                 18.38 
               
               
                 ATOM 
                 1883 
                 N 
                 LYS 
                 905 
                 30.286 
                 −7.295 
                 18.589 
                 1.00 
                 17.00 
               
               
                 ATOM 
                 1884 
                 CA 
                 LYS 
                 905 
                 29.525 
                 −7.292 
                 19.830 
                 1.00 
                 16.34 
               
               
                 ATOM 
                 1885 
                 CB 
                 LYS 
                 905 
                 29.866 
                 −6.085 
                 20.668 
                 1.00 
                 18.17 
               
               
                 ATOM 
                 1886 
                 CG 
                 LYS 
                 905 
                 31.293 
                 −6.007 
                 21.132 
                 1.00 
                 19.96 
               
               
                 ATOM 
                 1887 
                 CD 
                 LYS 
                 905 
                 31.464 
                 −4.733 
                 21.947 
                 1.00 
                 22.09 
               
               
                 ATOM 
                 1888 
                 CE 
                 LYS 
                 905 
                 32.911 
                 −4.429 
                 22.276 
                 1.00 
                 23.59 
               
               
                 ATOM 
                 1889 
                 NZ 
                 LYS 
                 905 
                 33.003 
                 −3.173 
                 23.083 
                 1.00 
                 27.13 
               
               
                 ATOM 
                 1890 
                 C 
                 LYS 
                 905 
                 28.039 
                 −7.273 
                 19.546 
                 1.00 
                 15.58 
               
               
                 ATOM 
                 1891 
                 O 
                 LYS 
                 905 
                 27.251 
                 −7.817 
                 20.297 
                 1.00 
                 15.43 
               
               
                 ATOM 
                 1892 
                 N 
                 ILE 
                 906 
                 27.647 
                 −6.620 
                 18.466 
                 1.00 
                 15.71 
               
               
                 ATOM 
                 1893 
                 CA 
                 ILE 
                 906 
                 26.239 
                 −6.554 
                 18.086 
                 1.00 
                 15.74 
               
               
                 ATOM 
                 1894 
                 CB 
                 ILE 
                 906 
                 25.991 
                 −5.423 
                 17.030 
                 1.00 
                 14.76 
               
               
                 ATOM 
                 1895 
                 CG2 
                 ILE 
                 906 
                 24.527 
                 −5.427 
                 16.565 
                 1.00 
                 13.47 
               
               
                 ATOM 
                 1896 
                 CG1 
                 ILE 
                 906 
                 26.358 
                 −4.051 
                 17.611 
                 1.00 
                 13.40 
               
               
                 ATOM 
                 1897 
                 CD1 
                 ILE 
                 906 
                 26.021 
                 −2.876 
                 16.686 
                 1.00 
                 13.18 
               
               
                 ATOM 
                 1898 
                 C 
                 ILE 
                 906 
                 25.800 
                 −7.899 
                 17.478 
                 1.00 
                 17.05 
               
               
                 ATOM 
                 1899 
                 O 
                 ILE 
                 906 
                 24.759 
                 −8.471 
                 17.834 
                 1.00 
                 16.35 
               
               
                 ATOM 
                 1900 
                 N 
                 LEU 
                 907 
                 26.609 
                 −8.385 
                 16.539 
                 1.00 
                 17.95 
               
               
                 ATOM 
                 1901 
                 CA 
                 LEU 
                 907 
                 26.348 
                 −9.631 
                 15.827 
                 1.00 
                 17.64 
               
               
                 ATOM 
                 1902 
                 CB 
                 LEU 
                 907 
                 27.331 
                 −9.787 
                 14.659 
                 1.00 
                 15.32 
               
               
                 ATOM 
                 1903 
                 CG 
                 LEU 
                 907 
                 27.338 
                 −8.653 
                 13.632 
                 1.00 
                 14.36 
               
               
                 ATOM 
                 1904 
                 CD1 
                 LEU 
                 907 
                 28.382 
                 −8.885 
                 12.557 
                 1.00 
                 12.28 
               
               
                 ATOM 
                 1905 
                 CD2 
                 LEU 
                 907 
                 25.947 
                 −8.531 
                 13.029 
                 1.00 
                 13.60 
               
               
                 ATOM 
                 1906 
                 C 
                 LEU 
                 907 
                 26.386 
                 −10.858 
                 16.747 
                 1.00 
                 18.93 
               
               
                 ATOM 
                 1907 
                 O 
                 LEU 
                 907 
                 25.756 
                 −11.860 
                 16.437 
                 1.00 
                 20.36 
               
               
                 ATOM 
                 1908 
                 N 
                 SER 
                 908 
                 27.097 
                 −10.805 
                 17.868 
                 1.00 
                 19.02 
               
               
                 ATOM 
                 1909 
                 CA 
                 SER 
                 908 
                 27.103 
                 −11.947 
                 18.772 
                 1.00 
                 19.60 
               
               
                 ATOM 
                 1910 
                 CB 
                 SER 
                 908 
                 28.469 
                 −12.099 
                 19.407 
                 1.00 
                 19.21 
               
               
                 ATOM 
                 1911 
                 OG 
                 SER 
                 908 
                 28.811 
                 −10.944 
                 20.135 
                 1.00 
                 19.20 
               
               
                 ATOM 
                 1912 
                 C 
                 SER 
                 908 
                 26.027 
                 −11.844 
                 19.867 
                 1.00 
                 20.23 
               
               
                 ATOM 
                 1913 
                 O 
                 SER 
                 908 
                 25.946 
                 −12.709 
                 20.752 
                 1.00 
                 20.86 
               
               
                 ATOM 
                 1914 
                 N 
                 GLY 
                 909 
                 25.208 
                 −10.791 
                 19.812 
                 1.00 
                 19.30 
               
               
                 ATOM 
                 1915 
                 CA 
                 GLY 
                 909 
                 24.169 
                 −10.603 
                 20.817 
                 1.00 
                 18.22 
               
               
                 ATOM 
                 1916 
                 C 
                 GLY 
                 909 
                 24.533 
                 −9.859 
                 22.102 
                 1.00 
                 16.28 
               
               
                 ATOM 
                 1917 
                 O 
                 GLY 
                 909 
                 23.711 
                 −9.712 
                 22.987 
                 1.00 
                 16.09 
               
               
                 ATOM 
                 1918 
                 N 
                 LYS 
                 910 
                 25.773 
                 −9.422 
                 22.236 
                 1.00 
                 16.37 
               
               
                 ATOM 
                 1919 
                 CA 
                 LYS 
                 910 
                 26.166 
                 −8.670 
                 23.411 
                 1.00 
                 17.37 
               
               
                 ATOM 
                 1920 
                 CB 
                 LYS 
                 910 
                 27.665 
                 −8.464 
                 23.403 
                 1.00 
                 17.13 
               
               
                 ATOM 
                 1921 
                 CG 
                 LYS 
                 910 
                 28.418 
                 −9.703 
                 23.684 
                 1.00 
                 16.32 
               
               
                 ATOM 
                 1922 
                 CD 
                 LYS 
                 910 
                 29.860 
                 −9.370 
                 23.896 
                 1.00 
                 17.48 
               
               
                 ATOM 
                 1923 
                 CE 
                 LYS 
                 910 
                 30.577 
                 −10.534 
                 24.482 
                 1.00 
                 17.90 
               
               
                 ATOM 
                 1924 
                 NZ 
                 LYS 
                 910 
                 32.055 
                 −10.284 
                 24.502 
                 1.00 
                 19.93 
               
               
                 ATOM 
                 1925 
                 C 
                 LYS 
                 910 
                 25.472 
                 −7.296 
                 23.532 
                 1.00 
                 18.68 
               
               
                 ATOM 
                 1926 
                 O 
                 LYS 
                 910 
                 25.250 
                 −6.797 
                 24.640 
                 1.00 
                 19.51 
               
               
                 ATOM 
                 1927 
                 N 
                 VAL 
                 911 
                 25.219 
                 −6.641 
                 22.397 
                 1.00 
                 18.99 
               
               
                 ATOM 
                 1928 
                 CA 
                 VAL 
                 911 
                 24.545 
                 −5.341 
                 22.396 
                 1.00 
                 17.49 
               
               
                 ATOM 
                 1929 
                 CB 
                 VAL 
                 911 
                 25.501 
                 −4.130 
                 22.041 
                 1.00 
                 17.52 
               
               
                 ATOM 
                 1930 
                 CG1 
                 VAL 
                 911 
                 26.928 
                 −4.550 
                 22.019 
                 1.00 
                 15.48 
               
               
                 ATOM 
                 1931 
                 CG2 
                 VAL 
                 911 
                 25.094 
                 −3.412 
                 20.788 
                 1.00 
                 15.48 
               
               
                 ATOM 
                 1932 
                 C 
                 VAL 
                 911 
                 23.379 
                 −5.475 
                 21.458 
                 1.00 
                 17.48 
               
               
                 ATOM 
                 1933 
                 O 
                 VAL 
                 911 
                 23.504 
                 −6.015 
                 20.358 
                 1.00 
                 17.40 
               
               
                 ATOM 
                 1934 
                 N 
                 LYS 
                 912 
                 22.219 
                 −5.032 
                 21.896 
                 1.00 
                 17.96 
               
               
                 ATOM 
                 1935 
                 CA 
                 LYS 
                 912 
                 21.057 
                 −5.210 
                 21.072 
                 1.00 
                 19.32 
               
               
                 ATOM 
                 1936 
                 CB 
                 LYS 
                 912 
                 20.189 
                 −6.325 
                 21.672 
                 1.00 
                 21.17 
               
               
                 ATOM 
                 1937 
                 CG 
                 LYS 
                 912 
                 19.261 
                 −5.889 
                 22.811 
                 1.00 
                 25.24 
               
               
                 ATOM 
                 1938 
                 CD 
                 LYS 
                 912 
                 19.998 
                 −5.297 
                 24.030 
                 1.00 
                 26.63 
               
               
                 ATOM 
                 1939 
                 CE 
                 LYS 
                 912 
                 19.509 
                 −3.871 
                 24.370 
                 1.00 
                 26.56 
               
               
                 ATOM 
                 1940 
                 NZ 
                 LYS 
                 912 
                 18.028 
                 −3.782 
                 24.457 
                 1.00 
                 27.08 
               
               
                 ATOM 
                 1941 
                 C 
                 LYS 
                 912 
                 20.262 
                 −3.943 
                 20.903 
                 1.00 
                 19.72 
               
               
                 ATOM 
                 1942 
                 O 
                 LYS 
                 912 
                 20.437 
                 −2.985 
                 21.651 
                 1.00 
                 19.46 
               
               
                 ATOM 
                 1943 
                 N 
                 PRO 
                 913 
                 19.463 
                 −3.877 
                 19.841 
                 1.00 
                 20.13 
               
               
                 ATOM 
                 1944 
                 CD 
                 PRO 
                 913 
                 19.437 
                 −4.660 
                 18.599 
                 1.00 
                 20.38 
               
               
                 ATOM 
                 1945 
                 CA 
                 PRO 
                 913 
                 18.693 
                 −2.665 
                 19.683 
                 1.00 
                 20.09 
               
               
                 ATOM 
                 1946 
                 CB 
                 PRO 
                 913 
                 18.174 
                 −2.780 
                 18.259 
                 1.00 
                 20.97 
               
               
                 ATOM 
                 1947 
                 CG 
                 PRO 
                 913 
                 18.127 
                 −4.240 
                 18.017 
                 1.00 
                 21.02 
               
               
                 ATOM 
                 1948 
                 C 
                 PRO 
                 913 
                 17.555 
                 −2.665 
                 20.658 
                 1.00 
                 20.77 
               
               
                 ATOM 
                 1949 
                 O 
                 PRO 
                 913 
                 17.108 
                 −3.719 
                 21.120 
                 1.00 
                 20.82 
               
               
                 ATOM 
                 1950 
                 N 
                 ILE 
                 914 
                 17.094 
                 −1.460 
                 20.972 
                 1.00 
                 20.62 
               
               
                 ATOM 
                 1951 
                 CA 
                 ILE 
                 914 
                 15.965 
                 −1.262 
                 21.846 
                 1.00 
                 18.90 
               
               
                 ATOM 
                 1952 
                 CB 
                 ILE 
                 914 
                 16.119 
                 0.012 
                 22.659 
                 1.00 
                 17.34 
               
               
                 ATOM 
                 1953 
                 CG2 
                 ILE 
                 914 
                 14.953 
                 0.149 
                 23.589 
                 1.00 
                 15.42 
               
               
                 ATOM 
                 1954 
                 CG1 
                 ILE 
                 914 
                 17.445 
                 −0.022 
                 23.418 
                 1.00 
                 16.40 
               
               
                 ATOM 
                 1955 
                 CD1 
                 ILE 
                 914 
                 17.794 
                 1.261 
                 24.098 
                 1.00 
                 15.82 
               
               
                 ATOM 
                 1956 
                 C 
                 ILE 
                 914 
                 14.823 
                 −1.093 
                 20.858 
                 1.00 
                 19.73 
               
               
                 ATOM 
                 1957 
                 O 
                 ILE 
                 914 
                 14.946 
                 −0.313 
                 19.909 
                 1.00 
                 20.71 
               
               
                 ATOM 
                 1958 
                 N 
                 TYR 
                 915 
                 13.774 
                 −1.908 
                 20.995 
                 1.00 
                 19.80 
               
               
                 ATOM 
                 1959 
                 CA 
                 TYR 
                 915 
                 12.622 
                 −1.823 
                 20.105 
                 1.00 
                 19.03 
               
               
                 ATOM 
                 1960 
                 CB 
                 TYR 
                 915 
                 12.194 
                 −3.193 
                 19.566 
                 1.00 
                 18.88 
               
               
                 ATOM 
                 1961 
                 CD 
                 TYR 
                 915 
                 13.072 
                 −3.773 
                 18.505 
                 1.00 
                 18.76 
               
               
                 ATOM 
                 1962 
                 CD1 
                 TYR 
                 915 
                 14.096 
                 −4.640 
                 18.832 
                 1.00 
                 19.63 
               
               
                 ATOM 
                 1963 
                 CE1 
                 TYR 
                 915 
                 14.923 
                 −5.170 
                 17.853 
                 1.00 
                 21.76 
               
               
                 ATOM 
                 1964 
                 CD2 
                 TYR 
                 915 
                 12.881 
                 −3.457 
                 17.173 
                 1.00 
                 19.64 
               
               
                 ATOM 
                 1965 
                 CE2 
                 TYR 
                 915 
                 13.698 
                 −3.989 
                 16.177 
                 1.00 
                 20.92 
               
               
                 ATOM 
                 1966 
                 CZ 
                 TYR 
                 915 
                 14.721 
                 −4.839 
                 16.531 
                 1.00 
                 21.98 
               
               
                 ATOM 
                 1967 
                 OH 
                 TYR 
                 915 
                 15.592 
                 −5.314 
                 15.577 
                 1.00 
                 25.00 
               
               
                 ATOM 
                 1968 
                 C 
                 TYR 
                 915 
                 11.468 
                 −1.273 
                 20.882 
                 1.00 
                 18.68 
               
               
                 ATOM 
                 1969 
                 O 
                 TYR 
                 915 
                 11.340 
                 −1.494 
                 22.080 
                 1.00 
                 18.72 
               
               
                 ATOM 
                 1970 
                 N 
                 PHE 
                 916 
                 10.621 
                 −0.543 
                 20.194 
                 1.00 
                 18.68 
               
               
                 ATOM 
                 1971 
                 CA 
                 PHE 
                 916 
                 9.456 
                 −0.019 
                 20.836 
                 1.00 
                 19.66 
               
               
                 ATOM 
                 1972 
                 CB 
                 PHE 
                 916 
                 8.898 
                 1.145 
                 20.042 
                 1.00 
                 17.07 
               
               
                 ATOM 
                 1973 
                 CG 
                 PHE 
                 916 
                 9.567 
                 2.411 
                 20.335 
                 1.00 
                 14.89 
               
               
                 ATOM 
                 1974 
                 CD1 
                 PHE 
                 916 
                 9.377 
                 3.034 
                 21.561 
                 1.00 
                 16.16 
               
               
                 ATOM 
                 1975 
                 CD2 
                 PHE 
                 916 
                 10.393 
                 2.992 
                 19.407 
                 1.00 
                 16.16 
               
               
                 ATOM 
                 1976 
                 CE1 
                 PHE 
                 916 
                 10.010 
                 4.225 
                 21.854 
                 1.00 
                 14.78 
               
               
                 ATOM 
                 1977 
                 CE2 
                 PHE 
                 916 
                 11.028 
                 4.183 
                 19.689 
                 1.00 
                 16.01 
               
               
                 ATOM 
                 1978 
                 CZ 
                 PHE 
                 916 
                 10.836 
                 4.800 
                 20.916 
                 1.00 
                 15.28 
               
               
                 ATOM 
                 1979 
                 C 
                 PHE 
                 916 
                 8.451 
                 −1.148 
                 20.868 
                 1.00 
                 21.60 
               
               
                 ATOM 
                 1980 
                 O 
                 PHE 
                 916 
                 7.862 
                 −1.434 
                 21.910 
                 1.00 
                 22.04 
               
               
                 ATOM 
                 1981 
                 N 
                 HIS 
                 917 
                 8.300 
                 −1.804 
                 19.718 
                 1.00 
                 22.86 
               
               
                 ATOM 
                 1982 
                 CA 
                 HIS 
                 917 
                 7.354 
                 −2.899 
                 19.543 
                 1.00 
                 24.45 
               
               
                 ATOM 
                 1983 
                 CB 
                 HIS 
                 917 
                 6.549 
                 −2.696 
                 18.258 
                 1.00 
                 23.60 
               
               
                 ATOM 
                 1984 
                 CG 
                 HIS 
                 917 
                 5.921 
                 −1.347 
                 18.153 
                 1.00 
                 21.90 
               
               
                 ATOM 
                 1985 
                 CD2 
                 HIS 
                 917 
                 6.440 
                 −0.153 
                 17.787 
                 1.00 
                 21.97 
               
               
                 ATOM 
                 1986 
                 ND1 
                 HIS 
                 917 
                 4.614 
                 −1.109 
                 18.504 
                 1.00 
                 21.41 
               
               
                 ATOM 
                 1987 
                 CE1 
                 HIS 
                 917 
                 4.350 
                 0.178 
                 18.360 
                 1.00 
                 22.05 
               
               
                 ATOM 
                 1988 
                 NE2 
                 HIS 
                 917 
                 5.446 
                 0.783 
                 17.929 
                 1.00 
                 21.26 
               
               
                 ATOM 
                 1989 
                 C 
                 HIS 
                 917 
                 8.077 
                 −4.225 
                 19.477 
                 1.00 
                 25.83 
               
               
                 ATOM 
                 1990 
                 OT1 
                 HIS 
                 917 
                 9.185 
                 −4.257 
                 18.908 
                 1.00 
                 27.53 
               
               
                 ATOM 
                 1991 
                 OT2 
                 HIS 
                 917 
                 7.525 
                 −5.225 
                 19.988 
                 1.00 
                 29.26 
               
               
                 ATOM 
                 1992 
                 C1 
                 DHT 
                 920 
                 27.685 
                 5.199 
                 4.565 
                 1.00 
                 13.59 
               
               
                 ATOM 
                 1993 
                 C2 
                 DHT 
                 920 
                 26.814 
                 6.485 
                 4.636 
                 1.00 
                 12.55 
               
               
                 ATOM 
                 1994 
                 C3 
                 DHT 
                 920 
                 25.484 
                 6.280 
                 3.944 
                 1.00 
                 12.58 
               
               
                 ATOM 
                 1995 
                 O3 
                 DHT 
                 920 
                 24.904 
                 7.249 
                 3.448 
                 1.00 
                 11.99 
               
               
                 ATOM 
                 1996 
                 C4 
                 DHT 
                 920 
                 24.887 
                 4.964 
                 3.857 
                 1.00 
                 13.18 
               
               
                 ATOM 
                 1997 
                 C5 
                 DHT 
                 920 
                 25.464 
                 3.903 
                 4.357 
                 1.00 
                 13.98 
               
               
                 ATOM 
                 1998 
                 C6 
                 DHT 
                 920 
                 24.727 
                 2.560 
                 4.241 
                 1.00 
                 14.79 
               
               
                 ATOM 
                 1999 
                 C7 
                 DHT 
                 920 
                 25.613 
                 1.454 
                 3.609 
                 1.00 
                 14.79 
               
               
                 ATOM 
                 2000 
                 C8 
                 DHT 
                 920 
                 26.955 
                 1.303 
                 4.359 
                 1.00 
                 15.54 
               
               
                 ATOM 
                 2001 
                 C9 
                 DHT 
                 920 
                 27.708 
                 2.656 
                 4.279 
                 1.00 
                 14.37 
               
               
                 ATOM 
                 2002 
                 C10 
                 DHT 
                 920 
                 26.943 
                 3.876 
                 4.949 
                 1.00 
                 14.56 
               
               
                 ATOM 
                 2003 
                 C11 
                 DHT 
                 920 
                 29.161 
                 2.525 
                 4.830 
                 1.00 
                 14.73 
               
               
                 ATOM 
                 2004 
                 C12 
                 DHT 
                 920 
                 29.951 
                 1.344 
                 4.192 
                 1.00 
                 14.11 
               
               
                 ATOM 
                 2005 
                 C13 
                 DHT 
                 920 
                 29.194 
                 −0.010 
                 4.339 
                 1.00 
                 15.34 
               
               
                 ATOM 
                 2006 
                 C14 
                 DHT 
                 920 
                 27.784 
                 0.212 
                 3.680 
                 1.00 
                 15.67 
               
               
                 ATOM 
                 2007 
                 C15 
                 DHT 
                 920 
                 27.178 
                 −1.232 
                 3.647 
                 1.00 
                 15.64 
               
               
                 ATOM 
                 2008 
                 C16 
                 DHT 
                 920 
                 28.435 
                 −2.118 
                 3.310 
                 1.00 
                 15.37 
               
               
                 ATOM 
                 2009 
                 C17 
                 DHT 
                 920 
                 29.679 
                 −1.189 
                 3.426 
                 1.00 
                 14.87 
               
               
                 ATOM 
                 2010 
                 C18 
                 DHT 
                 920 
                 29.107 
                 −0.450 
                 5.847 
                 1.00 
                 14.67 
               
               
                 ATOM 
                 2011 
                 C19 
                 DHT 
                 920 
                 26.781 
                 3.770 
                 6.524 
                 1.00 
                 13.94 
               
               
                 ATOM 
                 2012 
                 O20 
                 DHT 
                 920 
                 30.910 
                 −1.918 
                 3.981 
                 1.00 
                 16.20 
               
               
                 ATOM 
                 2013 
                 O 
                 HOH 
                 921 
                 16.187 
                 17.463 
                 26.217 
                 1.00 
                 26.98 
               
               
                 ATOM 
                 2014 
                 O 
                 HOH 
                 922 
                 19.878 
                 17.183 
                 14.290 
                 1.00 
                 13.49 
               
               
                 ATOM 
                 2015 
                 O 
                 HOH 
                 923 
                 18.473 
                 14.908 
                 14.407 
                 1.00 
                 6.52 
               
               
                 ATOM 
                 2016 
                 O 
                 HOH 
                 924 
                 29.144 
                 18.703 
                 11.673 
                 1.00 
                 37.40 
               
               
                 ATOM 
                 2017 
                 O 
                 HOH 
                 925 
                 27.076 
                 19.321 
                 12.893 
                 1.00 
                 18.76 
               
               
                 ATOM 
                 2018 
                 O 
                 HOH 
                 926 
                 23.789 
                 12.817 
                 9.649 
                 1.00 
                 33.78 
               
               
                 ATOM 
                 2019 
                 O 
                 HOH 
                 927 
                 25.400 
                 14.577 
                 5.432 
                 1.00 
                 19.79 
               
               
                 ATOM 
                 2020 
                 O 
                 HOH 
                 928 
                 23.015 
                 12.473 
                 12.245 
                 1.00 
                 14.03 
               
               
                 ATOM 
                 2021 
                 O 
                 HOH 
                 929 
                 25.209 
                 14.445 
                 2.442 
                 1.00 
                 19.95 
               
               
                 ATOM 
                 2022 
                 O 
                 HOH 
                 930 
                 34.235 
                 16.490 
                 0.235 
                 1.00 
                 41.09 
               
               
                 ATOM 
                 2023 
                 O 
                 HOH 
                 931 
                 31.687 
                 16.720 
                 1.143 
                 1.00 
                 22.88 
               
               
                 ATOM 
                 2024 
                 O 
                 HOH 
                 932 
                 26.451 
                 12.094 
                 2.237 
                 1.00 
                 8.25 
               
               
                 ATOM 
                 2025 
                 O 
                 HOH 
                 933 
                 11.606 
                 −0.191 
                 −7.963 
                 1.00 
                 46.13 
               
               
                 ATOM 
                 2026 
                 O 
                 HOH 
                 934 
                 13.798 
                 0.894 
                 17.657 
                 1.00 
                 15.30 
               
               
                 ATOM 
                 2027 
                 O 
                 HOH 
                 935 
                 15.475 
                 2.114 
                 16.386 
                 1.00 
                 12.01 
               
               
                 ATOM 
                 2028 
                 O 
                 HOH 
                 936 
                 8.514 
                 −2.110 
                 12.665 
                 1.00 
                 21.79 
               
               
                 ATOM 
                 2029 
                 O 
                 HOH 
                 937 
                 23.094 
                 0.783 
                 14.094 
                 1.00 
                 10.94 
               
               
                 ATOM 
                 2030 
                 O 
                 HOH 
                 938 
                 23.758 
                 −13.306 
                 5.541 
                 1.00 
                 40.43 
               
               
                 ATOM 
                 2031 
                 O 
                 HOH 
                 939 
                 22.933 
                 −11.472 
                 10.611 
                 1.00 
                 31.03 
               
               
                 ATOM 
                 2032 
                 O 
                 HOH 
                 940 
                 26.094 
                 −11.914 
                 5.354 
                 1.00 
                 51.71 
               
               
                 ATOM 
                 2033 
                 O 
                 HOH 
                 941 
                 10.995 
                 −6.843 
                 16.294 
                 1.00 
                 29.91 
               
               
                 ATOM 
                 2034 
                 O 
                 HOH 
                 942 
                 23.088 
                 7.362 
                 −10.811 
                 1.00 
                 30.10 
               
               
                 ATOM 
                 2035 
                 O 
                 HOH 
                 943 
                 26.671 
                 9.139 
                 −8.686 
                 1.00 
                 38.12 
               
               
                 ATOM 
                 2036 
                 O 
                 HOH 
                 946 
                 35.410 
                 −8.438 
                 −7.084 
                 1.00 
                 42.68 
               
               
                 ATOM 
                 2037 
                 O 
                 HOH 
                 947 
                 10.842 
                 24.253 
                 21.391 
                 1.00 
                 43.09 
               
               
                 ATOM 
                 2038 
                 O 
                 HOH 
                 948 
                 15.704 
                 21.095 
                 27.707 
                 1.00 
                 54.35 
               
               
                 ATOM 
                 2039 
                 O 
                 HOH 
                 949 
                 1.671 
                 16.382 
                 5.866 
                 1.00 
                 24.50 
               
               
                 ATOM 
                 2040 
                 O 
                 HOH 
                 950 
                 8.009 
                 20.744 
                 8.572 
                 1.00 
                 36.16 
               
               
                 ATOM 
                 2041 
                 O 
                 HOH 
                 951 
                 29.490 
                 17.190 
                 30.961 
                 1.00 
                 56.26 
               
               
                 ATOM 
                 2042 
                 O 
                 HOH 
                 952 
                 23.829 
                 −12.134 
                 25.596 
                 1.00 
                 39.41 
               
               
                 ATOM 
                 2043 
                 O 
                 HOH 
                 953 
                 42.457 
                 5.523 
                 7.132 
                 1.00 
                 28.93 
               
               
                 ATOM 
                 2044 
                 O 
                 HOH 
                 954 
                 41.318 
                 2.323 
                 2.406 
                 1.00 
                 38.22 
               
               
                 ATOM 
                 2045 
                 O 
                 HOH 
                 955 
                 25.857 
                 7.152 
                 30.722 
                 1.00 
                 18.97 
               
               
                 ATOM 
                 2046 
                 O 
                 HOH 
                 956 
                 18.191 
                 16.505 
                 27.701 
                 1.00 
                 29.01 
               
               
                 ATOM 
                 2047 
                 O 
                 HOH 
                 957 
                 14.018 
                 2.408 
                 20.246 
                 1.00 
                 18.75 
               
               
                 ATOM 
                 2048 
                 O 
                 HOH 
                 958 
                 14.651 
                 4.006 
                 17.873 
                 1.00 
                 21.70 
               
               
                 ATOM 
                 2049 
                 O 
                 HOH 
                 959 
                 5.786 
                 11.770 
                 25.499 
                 1.00 
                 35.58 
               
               
                 ATOM 
                 2050 
                 O 
                 HOH 
                 960 
                 2.694 
                 19.497 
                 9.834 
                 1.00 
                 25.35 
               
               
                 ATOM 
                 2051 
                 O 
                 HOH 
                 961 
                 0.334 
                 6.151 
                 20.624 
                 1.00 
                 27.66 
               
               
                 ATOM 
                 2052 
                 O 
                 HOH 
                 962 
                 −2.677 
                 2.639 
                 17.420 
                 1.00 
                 35.67 
               
               
                 ATOM 
                 2053 
                 O 
                 HOH 
                 963 
                 0.868 
                 8.543 
                 25.138 
                 1.00 
                 43.49 
               
               
                 ATOM 
                 2054 
                 O 
                 HOH 
                 964 
                 −8.085 
                 7.667 
                 23.358 
                 1.00 
                 40.82 
               
               
                 ATOM 
                 2055 
                 O 
                 HOH 
                 965 
                 6.749 
                 1.200 
                 9.766 
                 1.00 
                 24.57 
               
               
                 ATOM 
                 2056 
                 O 
                 HOH 
                 966 
                 −0.636 
                 8.734 
                 6.585 
                 1.00 
                 40.09 
               
               
                 ATOM 
                 2057 
                 O 
                 HOH 
                 967 
                 22.487 
                 −4.734 
                 14.335 
                 1.00 
                 28.04 
               
               
                 ATOM 
                 2058 
                 O 
                 HOH 
                 968 
                 18.615 
                 17.070 
                 7.167 
                 1.00 
                 23.83 
               
               
                 ATOM 
                 2059 
                 O 
                 HOH 
                 969 
                 10.049 
                 19.612 
                 2.716 
                 1.00 
                 28.02 
               
               
                 ATOM 
                 2060 
                 O 
                 HOH 
                 970 
                 26.829 
                 21.030 
                 22.736 
                 1.00 
                 25.40 
               
               
                 ATOM 
                 2061 
                 O 
                 HOH 
                 971 
                 23.684 
                 9.361 
                 5.898 
                 1.00 
                 24.06 
               
               
                 ATOM 
                 2062 
                 O 
                 HOH 
                 972 
                 23.124 
                 15.837 
                 0.189 
                 1.00 
                 29.07 
               
               
                 ATOM 
                 2063 
                 O 
                 HOH 
                 973 
                 34.079 
                 8.287 
                 19.446 
                 1.00 
                 34.35 
               
               
                 ATOM 
                 2064 
                 O 
                 HOH 
                 974 
                 37.522 
                 2.898 
                 1.092 
                 1.00 
                 22.39 
               
               
                 ATOM 
                 2065 
                 O 
                 HOH 
                 975 
                 21.838 
                 14.392 
                 5.445 
                 1.00 
                 20.42 
               
               
                 ATOM 
                 2066 
                 O 
                 HOH 
                 976 
                 16.106 
                 −10.859 
                 0.784 
                 1.00 
                 48.09 
               
               
                 ATOM 
                 2067 
                 O 
                 HOH 
                 977 
                 11.295 
                 27.231 
                 20.742 
                 1.00 
                 24.50 
               
               
                 ATOM 
                 2068 
                 O 
                 HOH 
                 978 
                 21.562 
                 −7.923 
                 18.100 
                 1.00 
                 34.94 
               
               
                 ATOM 
                 2069 
                 O 
                 HOH 
                 979 
                 41.647 
                 −2.962 
                 5.907 
                 1.00 
                 41.33 
               
               
                 ATOM 
                 2070 
                 O 
                 HOH 
                 981 
                 12.897 
                 22.682 
                 24.938 
                 1.00 
                 44.10 
               
               
                 ATOM 
                 2071 
                 O 
                 HOH 
                 982 
                 33.709 
                 13.619 
                 −5.931 
                 1.00 
                 26.84 
               
               
                 ATOM 
                 2072 
                 O 
                 HOH 
                 983 
                 0.019 
                 −4.834 
                 14.164 
                 1.00 
                 36.91 
               
               
                 ATOM 
                 2073 
                 O 
                 HOH 
                 984 
                 39.563 
                 3.365 
                 −2.334 
                 1.00 
                 36.56 
               
               
                 ATOM 
                 2074 
                 O 
                 HOH 
                 985 
                 16.244 
                 18.091 
                 7.952 
                 1.00 
                 25.52 
               
               
                 ATOM 
                 2075 
                 O 
                 HOH 
                 986 
                 13.038 
                 13.790 
                 19.688 
                 1.00 
                 21.93 
               
               
                 ATOM 
                 2076 
                 O 
                 HOH 
                 987 
                 22.095 
                 3.621 
                 21.834 
                 1.00 
                 19.27 
               
               
                 ATOM 
                 2077 
                 O 
                 HOH 
                 988 
                 2.516 
                 2.235 
                 3.905 
                 1.00 
                 30.91 
               
               
                 ATOM 
                 2078 
                 O 
                 HOH 
                 989 
                 2.950 
                 1.064 
                 1.716 
                 1.00 
                 31.16 
               
               
                 ATOM 
                 2079 
                 O 
                 HOH 
                 990 
                 5.186 
                 −1.082 
                 5.207 
                 1.00 
                 26.66 
               
               
                 ATOM 
                 2080 
                 O 
                 HOH 
                 991 
                 −0.310 
                 15.229 
                 24.529 
                 1.00 
                 28.42 
               
               
                 ATOM 
                 2081 
                 O 
                 HOH 
                 992 
                 −6.181 
                 9.210 
                 18.935 
                 1.00 
                 37.84 
               
               
                 ATOM 
                 2082 
                 O 
                 HOH 
                 993 
                 17.508 
                 26.662 
                 14.814 
                 1.00 
                 30.32 
               
               
                 ATOM 
                 2083 
                 O 
                 HOH 
                 994 
                 17.401 
                 31.211 
                 13.007 
                 1.00 
                 30.57 
               
               
                 ATOM 
                 2084 
                 O 
                 HOH 
                 995 
                 21.268 
                 22.961 
                 10.009 
                 1.00 
                 33.92 
               
               
                 ATOM 
                 2085 
                 O 
                 HOH 
                 996 
                 26.335 
                 12.379 
                 6.567 
                 1.00 
                 36.58 
               
               
                 ATOM 
                 2086 
                 O 
                 HOH 
                 997 
                 33.730 
                 15.077 
                 4.345 
                 1.00 
                 24.42 
               
               
                 ATOM 
                 2087 
                 O 
                 HOH 
                 998 
                 28.576 
                 2.290 
                 −15.305 
                 1.00 
                 30.54 
               
               
                 ATOM 
                 2088 
                 O 
                 HOH 
                 999 
                 33.926 
                 −5.402 
                 −13.979 
                 1.00 
                 48.01 
               
               
                 ATOM 
                 2089 
                 O 
                 HOH 
                 1000 
                 31.878 
                 −6.250 
                 −10.283 
                 1.00 
                 38.45 
               
               
                 ATOM 
                 2090 
                 O 
                 HOH 
                 1021 
                 30.673 
                 18.487 
                 18.256 
                 1.00 
                 34.16 
               
               
                 ATOM 
                 2091 
                 O 
                 HOH 
                 1022 
                 35.035 
                 20.192 
                 15.084 
                 1.00 
                 37.70 
               
               
                 ATOM 
                 2092 
                 O 
                 HOH 
                 1023 
                 32.791 
                 17.836 
                 19.423 
                 1.00 
                 35.34 
               
               
                 ATOM 
                 2093 
                 O 
                 HOH 
                 1024 
                 22.587 
                 −14.097 
                 7.907 
                 1.00 
                 30.71 
               
               
                 ATOM 
                 2094 
                 O 
                 HOH 
                 1025 
                 29.778 
                 −9.620 
                 −0.255 
                 1.00 
                 24.68 
               
               
                 ATOM 
                 2095 
                 O 
                 HOH 
                 1026 
                 25.904 
                 17.949 
                 24.176 
                 1.00 
                 16.80 
               
               
                 ATOM 
                 2096 
                 O 
                 HOH 
                 1027 
                 33.066 
                 −13.092 
                 7.455 
                 1.00 
                 20.84 
               
               
                 ATOM 
                 2097 
                 O 
                 HOH 
                 1028 
                 31.787 
                 15.265 
                 28.988 
                 1.00 
                 32.80 
               
               
                 ATOM 
                 2098 
                 O 
                 HOH 
                 1029 
                 27.029 
                 0.835 
                 13.994 
                 1.00 
                 20.01 
               
               
                 ATOM 
                 2099 
                 O 
                 HOH 
                 1030 
                 20.499 
                 2.720 
                 16.384 
                 1.00 
                 31.66 
               
               
                 ATOM 
                 2100 
                 O 
                 HOH 
                 1031 
                 10.991 
                 16.858 
                 −1.085 
                 1.00 
                 30.58 
               
               
                 ATOM 
                 2101 
                 O 
                 HOH 
                 1032 
                 7.904 
                 10.344 
                 −5.081 
                 1.00 
                 41.55 
               
               
                 ATOM 
                 2102 
                 O 
                 HOH 
                 1033 
                 12.570 
                 3.398 
                 −10.099 
                 1.00 
                 26.95 
               
               
                 ATOM 
                 2103 
                 O 
                 HOH 
                 1034 
                 17.128 
                 3.214 
                 −10.962 
                 1.00 
                 22.24 
               
               
                 ATOM 
                 2104 
                 O 
                 HOH 
                 1035 
                 17.056 
                 1.547 
                 −4.553 
                 1.00 
                 26.98 
               
               
                 ATOM 
                 2105 
                 O 
                 HOH 
                 1036 
                 11.020 
                 0.892 
                 6.595 
                 1.00 
                 25.24 
               
               
                 ATOM 
                 2106 
                 O 
                 HOH 
                 1037 
                 3.092 
                 −1.135 
                 −0.025 
                 1.00 
                 27.44 
               
               
                 ATOM 
                 2107 
                 O 
                 HOH 
                 1038 
                 24.006 
                 5.653 
                 35.765 
                 1.00 
                 34.54 
               
               
                 ATOM 
                 2108 
                 O 
                 HOH 
                 1039 
                 29.738 
                 0.950 
                 27.680 
                 1.00 
                 26.47 
               
               
                 ATOM 
                 2109 
                 O 
                 HOH 
                 1040 
                 1.507 
                 8.706 
                 22.315 
                 1.00 
                 36.26 
               
               
                 ATOM 
                 2110 
                 O 
                 HOH 
                 1041 
                 10.755 
                 −4.751 
                 9.776 
                 1.00 
                 27.77 
               
               
                 ATOM 
                 2111 
                 O 
                 HOH 
                 1042 
                 20.223 
                 −3.560 
                 14.440 
                 1.00 
                 25.10 
               
               
                 ATOM 
                 2112 
                 O 
                 HOH 
                 1043 
                 30.147 
                 −9.103 
                 2.467 
                 1.00 
                 26.08 
               
               
                 ATOM 
                 2113 
                 O 
                 HOH 
                 1044 
                 28.518 
                 −12.565 
                 −5.152 
                 1.00 
                 28.96 
               
               
                 ATOM 
                 2114 
                 O 
                 HOH 
                 1045 
                 39.044 
                 7.751 
                 17.961 
                 1.00 
                 38.02 
               
               
                 ATOM 
                 2115 
                 O 
                 HOH 
                 1046 
                 37.030 
                 10.428 
                 20.994 
                 1.00 
                 37.73 
               
               
                 ATOM 
                 2116 
                 O 
                 HOH 
                 1047 
                 7.847 
                 −2.227 
                 15.270 
                 1.00 
                 24.79 
               
               
                 ATOM 
                 2117 
                 O 
                 HOH 
                 1048 
                 9.958 
                 −5.351 
                 21.522 
                 1.00 
                 40.62 
               
               
                 ATOM 
                 2118 
                 O 
                 HOH 
                 1049 
                 6.839 
                 −6.928 
                 22.567 
                 1.00 
                 30.96