WO2009131572A1 - Structure of tim family members - Google Patents

Abstract

The present invention provides crystal structures of the N-terminal Cys-rich Ig-like ligand-binding domain of the murine Tim-1, Tim-2, and Tim-4 receptors and models for the murine Tim-3 receptor and the human HAVCRl /TIM l, TM3, and TIM4 receptors based on the said crystal structures, and so provide materials and methods for identifying mimetics of the natural ligands for these receptors and also antagonists of those ligands. The structures also reveal a homophilic interaction for each receptor, which is confirmed biochemically. This invention provides materials and methods to target specific mutations on the TIM family receptors based on their crystal structure to modulate (enhance, reduce, or inhibit) homophilic and/or heterophilic interactions as well as binding to natural ligands. The resulting TIM receptor mutants could be used as therapeutic agents. Thus, the invention also provides materials and methods for identifying agonists and antagonists of TIM family members homophilic and heterophilic interactions. HAVCR1/TIM1 is the receptor for Hepatitis A Virus, and thus the invention also provides materials and methods for identifying inhibitors of HAV infection.

Description

STRUCTURE OF TIM FAMILY MEMBERS

FIELD OF THE INVENTION

[0001] The present invention relates to use of knowledge of the three-dimensional structure of the TIM family members in the making of agonists and antagonists of homophilic and heterophilic interactions of these receptors. The structures of the TIM family members allow the design and refinement of agonist and antagonist of the interactions of TIM family receptors with viruses such as HAV and natural ligands such as IgA, semaphorin 4A, and galactin-9 for medical and veterinary purposes to prevent viral infection, regulate immune responses, modulate cell adhesion and tissue regeneration, treat and prevent cancer, and treat autoimmune and atopic diseases. The structures of the TIM family members also allow the design of specific mutants with altered binding capabilities for therapeutic use.

BACKGROUND OF THE INVENTION

[0002] The T cell immunoglobulin mucin (TIM) family of type 1 integral membrane glycoproteins, which contain a characteristic six-cysteine Ig-like domain extended above the cell surface by a mucin-like domain, is emerging as an important multifunctional group of receptors (22, 26, 31) that is conserved in vertebrates. Analysis of sequences available in public genomic databases revealed that TTM family members are conserved in vertebrates. Indeed, mammals (bovines, porcines, canines, rodents, etc.), birds, fish, and reptiles express TIM family members. The monkey Hepatitis A Virus (HAV) receptor 1 (HAVCRl) was the first identified member of the TIM family (18). Monkey and human HAVCRl are receptors for HAV (9). HAVCRl is highly expressed in kidneys (18) mainly after injury (10) or in kidney tumors (42). HAVCRl is expressed in human Th2 cell lines and is associated with remission in patients with MS (19). Up to eight genes have been described in mice (Tim-1 to 8) and 3 in humans (HAVCRl /TIM-I, HAVCR2/TIM-3, and TIMD4/TIM-4) (21), which code for at least 4 cellular receptors in mice (Tim-1 , Tim-2, Tim-3 and Tim-4) and for 3 receptors in humans (TIM-I, TIM-3 and TIM-4). Tim-2 is the only murine TIM member for which a human ortholog has not yet been identified. Genes coding for cellular receptors of the TIM family are located in an airway hyperreactivity (AHR) regulatory locus linked to asthma and allergy susceptibility in mice (27).

[0003] TIMs are type I cell surface glycoproteins with an N-terminal Cys-rich region followed by a mucin domain at the extracellular region, a single transmembrane region and, except in the TIM-4 receptors, a cytoplasmic tail with phosphorylation motifs. Amino acid sequence identity among the N-terminal Cys-rich region of the different receptor molecules is about 40%, while between the mouse and human receptor orthologs is around 60%. There are however marked differences in the length of the threonine, serine and proline rich mucin domain, with the number of O-linked glycosylation sites ranging from 43 in Tim-4 to 1 in TIM-3 (21).

[0004] The murine TIM receptors are involved in the regulation of immune responses. Tim-1 is preferentially expressed in Th2 cells and delivers a signal that enhances T-cell activation and proliferation, increasing airway inflammation and allergy (30, 39). In contrast, Tim-3 is mainly expressed in ThI cells and provides a negative costimulatory signal that leads to immune tolerance (34). Additionally, Tim-3 ligand binding has been related to macrophage activation and to the development of autoimmune diseases (32). Polymorphisms in Tim-1 and Tim-3 confer susceptibility to the development of asthma and allergy (27).

[0005] Different ligands have been described for the murine members of the TIM family. Crosslinking of Tim-1 receptor molecules with the 3R3 mAb activates T cells and prevents the induction of respiratory tolerance (39). Recently, it was reported that binding of the S-type lectin galactin-9 to glycans N-linked to the Cys-rich Ig-like domain of Tim-3 negatively regulates ThI -related autoimmunity (47). Two ligands have been identified for Tim-2, Semaphorin 4A and H-ferritin (5, 23). Binding of Tim-2 to Semaphorin 4A expressed on the surface of dendritic and B cells enhanced T-cell activation (23), while binding to polymeric H-ferritin mediated its endocytosis (5). [0006] The gene for the hepatitis A virus (HAV) cellular receptor 1 (HAVCRl) was the first primate member of the TIM family, discovered initially in monkeys (18)^' and subsequently in humans (9). HAVCRl /TIM-I is an important asthma determinant gene in humans (28). Immunoglobulin A having a λ light chain has been identified as a natural ligand of TIM-I (G. Kaplan et al., U.S. Provisional Application , filed ).

The N-terminal Cys-rich domain is involved in binding of the TIM receptors to their ligands. For instance, binding of HAV to HAVCRl/TIM-1 (38) and Tim-3 to its ligands (34, 35, 47) requires the Cys-rich region. The function of the mucin domain is unclear, although it has some influence the neutralization of HAV particles by soluble HAVCRl/TIM-1 (36). In addition to the viral receptor and immunological functions of HAVCRl /TIMl , this receptor plays an important function in the kidney. HAVCR1/TIM1 is overexpressed in the kidney (18) mainly after kidney injury (1 1) and tumor development (42). Expression of HAVCR1/TIM1 has been shown to be a marker of kidney injury (1, 10, 1 1) and kidney tumors (42). Shedding of HAVCRl/TIMl (also known as KIM-I, kidney injury molecule 1) in the kidney undergoing regeneration constitutes an active mechanism allowing dedifferentiated regenerating cells to scatter on denuded patches of the basement membrane and reconstitute a continuous epithelial layer (1). Moreover, HAVCRl/TIMl is differentially expressed in clear cell renal cell carcinoma and blocks the differentiation of proximal tubule epithelial cells (42). HAVCRl/TIMl is therefore an ideal target for therapy of kidney carcinomas as shown in an African green monkey cell model in which anti -HAVCRl /TIMl monoclonal antibody 190/4 (18) bound to immunotoxins specifically killed kidney cells expressing HAVCRl/TIMl (42).

DESCRIPTION OF THE DRAWINGS

[0007] The file for this patent or patent application contains at least one drawing executed in color. Copies of the patent or patent application with color drawings will be provided by the office upon request and payment of the necessary fee.

[0008] Figure 1. Crystal structures of the N-terminal Cys-rich domain of Tim- 1 and Tim- 2 receptors. Ribbon diagrams of the Tim-1 and Tim-2 structures are respectively shown in Figures IA and IB. β-strands of one face are red and those in the opposite side are pink, coil orange, 310 helix light-blue, α-helix in the BC-loop blue, while the loop between β- strands C and C is light green. Cys residues and disulphide bonds are in green. Strands are labelled with uppercase letters and terminal ends (n and c) are in lowercase. Figure 1C. Stereo view of superimposed Tim-1 (red) and Tim-2 (pink) structures, with the regions showing structural diversity labelled. Figure ID. Structural alignment of the Tim- 1 and Tim-2 structures with residues closer than 3 A aligned, β-strands and helical regions defined by the program dssp (46) are coloured as in Figures IA and IB. The other murine (lowercase), human (uppercase) and monkey (mk) TIM receptor domains were aligned by sequence. Conserved residues in most TIM receptors are coloured in yellow and the six Cys residues in green. N-linked glycosylation sites are underlined and sequences of Tim-1 and Tim-2 numbered. Green lines join the disulphide linked Cys residues.

[0009] Figure 2. Conformation of the loops connecting β-strands C and C in the Tim structures and in related IgV domains. Ribbon diagram showing the GFC face of the Tim-2 (Figure 2A) and Tim-1 (Figure 2B) domain structures. Insets show lateral view. Residues between the two external disulphide bonds in the CC'-loop and interacting residues at the β-strands F, G and the FG-loop are yellow. Cys residues and disulphide bonds are green, while hydrogen bonds are shown as pink dashed cylinders. Oxygens and nitrogen atoms are in red and blue, respectively. Tim-1 and Tim-2 residues are labelled following Figure I D. Blue dots on the C'C"-loop of panel B indicate location of the Asn residues to which glycans attach in human and monkey TIM-1 and in Tim-3. Figure 2C. Stereo view of the superimposed Tim-1 (red) and CAR (green, If5w) homologous domain structures. The CC'-loop region of the superimposed CEA IgV domain (1L6Z) is shown in blue.

[0010] Figure 3. N-terminal domain interactions and oligomerization of the Tim receptors. Ribbon diagrams of the two domains in the asymmetric unit of the Tim-2 (Figure 3A) and Tim-1 (Figure 3B) crystals. Side view of the dimer is displayed for Tim- 2, while a view along the quasi-two fold axis (2) is shown for Tim-1. Molecules presented in Figure 1 are with the same colouring scheme, while the neighbouring molecules are in yellow. Side chains of residues contributing to the dimer interfaces are included and some central residues are labelled. Acetate ligand found in the Tim-2 structure is black, water molecules are red spheres and hydrogen bonds are pink dashed cylinders. Asn residues to which glycans link in Tim-2 are green. Arrows represent the hypothesized insertion of O- 1 inked glycans from the C-terminal mucin domain between β-strand A and FG-loop of the interacting Tim- 1 domains.

[0011] Figure 3C. Oligomerization of the glycosylated Tim receptors with the complete extracellular region. Western blotting of immunoprecipitates of BS3 treated (+) or untreated (-) cell supernatants lacking (mock) or having the indicated Tim receptor (see Materials and methods). The arrows mark three Tim-2 oligomeric species. Size (IcD) and migration of the molecular weight marker is indicated. Figure 3D. Alignment of TIM IgV domains as in Figure ID, with residues at the dimer interface in yellow and those about the center of the interacting molecules in blue, β-strands are represented by lines. Amino acid polymorphysms in Tim-3 (green) (27) and mkTIM-1 (blue) (8) are included below the corresponding residues in the bottom of the alignment.

[0012] Figure 4. Oligomerization of the Tim-2 receptor. Size exclusion chromatography of the soluble Tim-2 molecule shown in Figure 3C. Percentage of the optical density (OD) and elution volume have been plotted. The peaks for Tim-2 proteins eluting with retention volumes corresponding to monomer (M, 40 IdD), dimer (D, 80 kD) and tetramer (T, 160 IcD) are labelled. Elution of the molecular weight markers are shown with shaded lines. A representative experiment is shown.

[0013] Figure 5. Homophilic TIM-I receptor interactions in mouse and human. Binding of soluble Fc fusion proteins to plastic coated N-terminal IgV domain (Figure 5A) or the complete extracellular region of the Tim-1 receptor (Figure 5B). Tim-Fc (Tim-1 and Tim- 2) and control ICAM-I-Fc (IC1-2D) proteins used are included in the legend. Binding at the indicated protein concentration was determined by O. D. at 492 nm (see Materials and methods). Average and standard deviation of three experiments are shown. Figure 5C. Normalized binding of Tim-l-Fc protein to plastic coated Tim-1/IgV in the absence (Tim- 1 ) or presence of anti-Tim- 1 (Tl .4 and Tl .10) and anti-Tim-2 (T2.1 ) mAbs, or EDTA (10 mM). Normalized binding for a mutant Hi64/Glu Tim-1 -Fc protein is also included. Average and standard deviation of 6 different measurements carried with 20 and 10 μg/ml of Fc protein are shown Figure 5D. Binding of latex beads coated with the indicated protein to cells expressing GFP, the complete TIM-1 receptor or a mutant lacking the IgV domain (ΔlgV). [0014] Figure 6. Ligand binding surfaces in the TIM receptors. Figure 6A. Surface representation of the stable Tim-2 dimer with molecule A in pink and B in yellow. Some of the residues building up a conformational epitope at a ridge extending from the end of the CC-loop region (Arg42) in molecule A to the C'C"-loop of molecule B (Tyr50) are coloured (see also Figure 3A). Hydrophobic residues Tyr39, Ile41 and Tyr50 are orange, Arg36, His37 and Arg42 at the CC'-coil and His21 at the BC-loop are blue. Asn residues to which N-linked glycans attach in Tim-2 are in green. Figure 6B. Surface representation of the Tim-1 domain structure, expected to be representative of the TIM receptor family. Tim-1 surface involved in the homophilic interaction is pink (Figure 3B). Residues in a conformational epitope built by the tip of the long CC'-loop and the FG-loop onto the GFC β-sheet are coloured red and orange, respectively. In blue the surface where a polymorphism (Lys/Gln) in HAVCR 1/mkTIM-l has been mapped in the Tim-1 structure (see Figure 3D). The mutation identifies the side of the domain recognized by a mAb blocking HAV receptor binding (8). Surface corresponding to the Asn residue to which glycans will be linked in the HAVCRl/TIM-1 receptors is green. [0015] Figure 7. Crystal structures of the N-terminal Cys-rich Ig-like domain of Tim-4. Figure 7A. Ribbon representation of the IgV domain crystal structure of murine Tim-4. This structure is highly similar to the IgV domain described herein for Tim-1 with some differences in the BC and FG loops. Figure 7B. Comparison of the IgV domain structures of Tim-1 (red) and Tim-4 (blue). The BC-loop in the Tim-4 structure is quite flat compared to the same loop in Tim-1. In FG-loop of Tim-1 the Phe has a unique conformation and extends toward the CC'-loop, in Tim-4 the same residue adopts a closed conformation (dark blue) with the side chain of the Phe residue occupying a cavity between the FG and CC loops, while in the open conformation (light blue) the Phe projects toward the top of the domain.

[0016] Figure 8. Cation binding site in TIM family members: structure of the FG loop of the N-terminal Ig-like domain of Tim-4. The Tim-4 structure defined a ligand binding pocket in the N-terminal IgV domain of TIMs. A tartrate (TLA) ion occupies a cavity between the CC and FG loops. Figure 8 A. Structure of FG loop. The F95 residue in the FG loop can adopt two possible configurations shown in yellow (open configuration) or pink (closed configuration). Figure 8B. Structure of the FG loop complexed with potassium tartrate. Tim-4 was crystalized in the presence of potassium tartrate. The structure of Tim-4 with the complexed salt is shown. The potassium atom K in the GF loop is shown as a yellow dot, and the tartrate molecule (TLA) is shown in pink protruding from the FG loop. C. Sequence alignment of TIM family members denoting residues involved in the cation binding site. The modeled potasium ion (K) was coordinated to the main chain oxygen atoms of V91 and G93 (marked with red asterisk) and the side chain oxygen of the conserved N96 and D97 residues (marked with blue asterisk). [0017] Figure 9. Comparison of the structures of murine Tim-1, Tim-2, and Tim-4 with the model of murine Tim-3. Figure 9A. Superimposed IgV structures of Tim-l(red), Tim-2 (pink) and Tim-4 (blue) as well as a model of Tim-3 (green) based on the Tim-1 crystal structure. These structures adopt a highly similar IgV domain described herein with conformational variability in BC, FG and CC loops. Figure 9B. Alignment of amino acid sequences of the IgV domains of TIM family members indicating positions of the BC, CC, and FG loops. The conserved six Cys residues are highlighted in green, and other conserved residues are highlighted in yellow. The N-glycosylation sites in human TIMl and TIM3 are underlined.

[0018] Figure 10. Models of human TIM family members. The IgV domains of the human TIM family members were modeled based on the murine Tim-1 crystal structure described herein. As shown by the superimposed HAVCR1/TIM1 (red), TIM3 (green) and TIM4 (blue) structures, the largest structural variability is at the BC-loop, where there are some differences in the loop length among the TIM gene family.

[0019] Figure 1 1. Target areas for agonists and antagonists of interactions of TIM family members. Figure I IA. Target areas for agonist and antagonists of homophilic and heterophilic interactions of TIM family members are marked on the surface structure of TIMl chosen as a generic TIM family member. Target areas are marked with black lines and numbered 1 to 5. Figure 1 I B. Alignment of sequences of murine and human TIM family members with the highlight of key residues involved in homophilic and heterophilic interactions. Residues involved in Timl-Timl homophilic interaction or Tim- 2 dimerization in cis are yellow. Residues coordinating the K ion in the Tim-4-tartrate structure are green. The K ion is coordinated to the side chain of the conserved N96 (number 99 in pdb file) and D97 (number 100 in pdb file) residues, the main chain oxygen of V91 (94 in pdb file) and G93 (96 in pdb file, one water molecule (31 in pdb file) and a carboxylate group of the tartrate molecule (Ol 1). Protein residues define a cation binding site which could coordinate calcium. Residues interacting with the tartrate are magenta. The tartrate interacts with the amino group of the side chain of R88 (91 in pdb file) the main chain nitrogen atom of D97 (100 in pdb file) and the potassium ion. The compound penetrates a cavity between CC and FG loops, generated by the movement out of the F95 (98 in pdb file) side chain. The cavity is partially occupied by F95 in the Tim-4 structure in the absence of tartrate and fully occupied in the Tim-1 molecules engaged in homphilic interactions. So it appears that F95, conserved in most TIMs, is a residue regulating the function of the TIM receptors.Figure 12 shows the elements of a computer system useful for implementing methods of the invention.

[0020] Figure 12. Computer system comprising a memory disk 105, storing positional data of the atomic coordinates of the TIM protein, and a processor lOlgenerating a molecular model having a three dimensional shape representative of the TIM protein based on positional data. The molecular model is stored in RAM 102 memory readily accessible by the processor 101.

[0021] Figure 13. Homophilic Tim-1 receptor interactions. Binding of soluble Tim-1 -Fc fusion protein to 96-well plates coated Tim-1/IgV . Normalized binding of Tim-l-Fc (Tim-1) (100%) and mutant Tim-l-Fc protein where His64 was replaced by a glutamic acid (Hi64/Glu) was determined by ELISA. Average and standard deviation of 6 different measurements are shown.

[0022] Figure 14. Homophilic TIM-1 receptor interactions in humans. Binding of mouse Tim-l -Fc, human TIM-I -Fc, DE-loop mutants TIM-I-Fc Arg65/Glu and DEtI containing the double mutation Asp62/His and Arg65/Glu, mouse Tim-2-Fc, or control ICAM-I -Fc (IC 1 -2D) to the complete extracellular region of human TIM-I -HA coated onto 96-well plates was monitored by ELISA. Figure 15. Oligomerization of the Tim-2 receptor. Size exclusion chromatography of soluble Tim-1 (open triangles) and Tim-2 (open squares) molecules with the complete extracellular regions. Tim2-BCtl corresponds to a mutant Tim-2 receptor where BC loop residues (HLG) were replaced by aligned residues in the Tim-1 BC-loop (YR). Percentage of the optical density (OD) and elution fraction are plotted. Elution fraction for the molecular weight markers are shown with shaded lines. [0023] Figure 15. Oligomerization of the Tim-2 receptor. Size exclusion chromatography of soluble Tim-1 (open triangles) and Tim-2 (open squares) molecules with the complete extracellular regions. Tim2-BCtl corresponds to a mutant Tim-2 receptor where BC loop residues (HLG) were replaced by aligned residues in the Tim-1 BC-loop (YR). Percentage of the optical density (OD) and elution fraction have been plotted (see Materials and methods). Elution fraction for the molecular weight markers are shown with shaded lines. A representative experiment is shown

[0024] Figure 16. Lack of binding of IgA to a TIM-1 CC'-loop mutant. The CC'-loop of TIM-1 was changed for the same loop of human TIM-4 in TIMl(Cys3-4)-Fc. Purified TIM l -Fc and mutated TIMl(Cys3-4)-Fc we captured onto anti-Fc coated 96-well plates. Binding of secretory IgA (slgA) to the captured receptors was stained using goat anti- human IgA and TMB substrate. Absorbance at 450 nm of duplicate wells was determine in an ELISA plate reader. Values are the mean absorbance and SD are shown as error bars.

DETAILED DESCRIPTION OF THE INVENTION

[0025] The present invention relates to determination of the structure of the TIM receptor domains and how they bind to their ligands. The previously predicted immunoglobulin superfamily (IgSF) fold for the N-terminal Cys-rich domain is further verified, including the unusually high number of conserved Cys residues (six) for a single IgSF domain. The structure of the Cys-rich region for several TIM receptors is determined. The crystal structures of the N-terminal domains of murine Tim-1, Tim-2, and Tim-4 were determined, and a model for murine Tim-3 was developed beased on these structures. Models of the human TIM family members HAVCR 1/TIM 1 , TIM3, and TIM4 were developed based on the structures of the murine TIM family members. The invention provides the first structural view of ligand-binding domains in the TIM gene family. [0026] The structures of TIM family members described herein indicated that the Cys-rich Ig-like domain of HAVCR1/TIM1 forms homophilic interactions in trans that are stabilized by the mucin domain. The homophilic interactions of HAVCR1/TIM1 were corroborated using techniques of immunology and biochemistry in data presented in this application. The structure of murine Tim-4, also described herein, does not form homophilic interactions. Based on the structures of murine Tim-1, Tim2, and Tim-4, the models of the human orthologs indicate that TIM3 also forms homophilic interactions whereas TIM4 does not do so. The structures of the TIM family members clearly show a channel in the Cys-rich Ig-like domain of HAVCRl /TIMl that may interact with the mucin domain providing the correct scaffolding for homophilic and heterophilic interactions. Alternatively, this channel may be occupied by other ligands and could be targeted to enhance or disrupt homophilic/heterophilic interactions. [0027] In spite of their high sequence identity, Tim-1 , Tim-2, and Tim-4 display striking differences in oligomerization and presentation of ligand-binding epitopes, which explain the reported divergence in ligand recognition. The structures and derived functional data define three distinct ligand-recognition modes in the receptor family and identify a novel TIM-TIM adhesion interaction conserved in mice and humans. Tim-1 forms homophilic interactions in trans, Tim-2 forms dimers in cis, and Tim-4 does not form homophilic interactions. The model for Tim-3 also shows the formation of homophilic interactions. The models of the human TIM family members HAVCR1/TIM1 , TIM3, and TIM4 resemble the structures of the corresponding murine orthologs.

[0028] The information of the crystal structure of the Tim-1 , Tim-2, and Tim-4 proteins can be used to model the proteins for the design of compounds that interact with these proteins to modulate or mimic the activity of their natural, physiological ligands, or to antagonize or increase homophilic or heterophilic interactions of the proteins. Various methods for molecular modelling of proteins and use of such models to design interacting molecules are known in the art. See, for example, U.S. Patents 6,845,328, 6,947,845 (relating to three dimensional modelling of compounds interacting with ribosomes) and 6,947,847 and 7,070,936 (relating to rational drug design generically) and 7,065,453 (related to analysis of combinatorial libraries).

[0029] Thus, one embodiment of the present invention, as shown in Figure 12, comprises a computer system comprising a memory, e.g. disk 105, storing positional data of the atomic coordinates of the TIM protein, and a processor l O l generating a molecular model having a three dimensional shape representative of the TIM protein based on positional data. During execution of the process for generating the molecular model, it is understood that the positional data would be stored in, for example, RAM 102, or other memory readily accessible by the processor 101.

[0030] The method described herein utilizes computers to model receptor binding sites and to provide information, based upon physical and chemical considerations, on the suitability of a given molecule to fit within a given receptor binding site. A host of computer programs are available commercially and are suitable for use in the present invention.

[0031] The "GrowMol" program is capable of generating organic structures that are both spatially and chemically complementary to a mathematically-defined receptor binding site. The program mathematically constructs molecules, one atom at a time, to occupy the mathematically-defined space of a binding site. In this fashion, the "GrowMol" program can be used to generate chemical structures whose physical and chemical properties are complementary to the receptor binding site. At each reiteration of the construction process, the position and type of atom to be added to the model are randomly selected using Boltzmann statistics, in an effort to bias acceptance toward atoms that can form favorable interactions with the binding site.

[0032] The program can be obtained from a number of university sources, including from

Daniel H. Rich at the University of Wisconsin-Madison. The program can also be obtained directly from its principal author, Regine Bohacek of Boston De Novo Design, Boston,

Mass.

[0033] Another computer program that is very useful in conjunction with the "GrowMol" program is called "Flo." The "Flo" program is a molecular modeling program written by

Colin McMartin. The program aids in visualizing molecules and in designing lead drug compounds. The "Flo" program is available online at uwmml.pharmacy.wisc.edu/Flo/ floindx.html. The "Flo" program is also marketed commercially through Thistlesoft

Software Co., Morris Town, N.J. The "Flo" program can also be obtained directly from its author, Colin McMartin, at cmcma@ix.netcom.com. The great advantage of using the

"Flo" program in conjunction with the "GrowMol" program is that the "Flo" program provides a front-end graphical interface that enables molecular models to be formatted more easily for analysis using the "GrowMol" program.

[0034] There are a very large number of equally suitable chemical modeling programs are available commercially or through academic outlets. For example, Tripos of St. Louis, Mo., markets a very wide range of molecular modeling and analysis programs, including the "Advanced Computation," "AMPAC," "COMFORT," "MM3(2000)," "MOLCAD," and "SYBYL/Base" programs and also the BENCHWARE suite.

[0035] Briefly, the "Advanced Computation" program provides a wide range of tools for conformational analysis, including calculations that enumerate all possible torsional states of a molecule or identify just its low-energy conformations. [0036] The "AMPAC" program calculates structures and electronic properties of molecules using semi-empirical quantum mechanical methods. [0037] The "COMFORT" program performs conformational analyses of drug-sized molecules to identify the global minimum energy conformer, all local minima within a user-specified energy range, or a maximally diverse subset of conformers. [0038] Briefly, the "Advanced Computation" program provides a wide range of tools for conformational analysis, including calculations that enumerate all possible torsional states of a molecule or identify just its low-energy conformations. [0039] The "AMPAC" program calculates structures and electronic properties of molecules using semi-empirical quantum mechanical methods. [0040] The "COMFORT" program performs conformational analyses of drug-sized molecules to identify the global minimum energy conformer, all local minima within a user-specified energy range, or a maximally diverse subset of conformers. [0041] The "MM3(2000)" program is a molecular mechanics program that produces high- quality three-dimensional structures and computes molecular energy, vibrational spectra, and a variety of thermodynamic and spectroscopic quantities.

[0042] The "MOLCAD" program creates and displays molecule surfaces onto which it maps key properties, including Iipophilicity, electrostatic potential, hydrogen bonding sites, and local curvature.

[0043] The SYBYL/Base program includes a comprehensive suite of sub-programs for molecular modeling, including structure building, optimization, and comparison; visualization of structures and associated data; annotation, hardcopy and screen capture capabilities; and a wide range of force fields. [0044] BENCHWARE is a suite of software for molecular designs, visualization and testing of interactions, as well as drug design project management. [0045] Accelrys Inc. (San Diego, Calif.), a subsidiary of Pharmacopeia Inc., is another commercial supplier of suitable molecular modeling software for use in the present invention. Accelrys' "QUANTA" program can be used for processing of X-ray data, electron density fitting, and model building; the "CNX" program can be used for phasing and refining of the initial X-ray model. IfNMR data are available for a receptor-ligand complex, Accelrys' "FELIX" and "Insight II" NMR modules can be used for spectral data processing, and for refining and evaluating putative structures and conformations. [0046] The present invention also encompasses methods for identifying putative ligands or antagonists of the homophilic interactions of human TIM family members HAVCR1/TIM1, TIM3, and TM4, and for identifying mimetics or antagonists of the IgA ligand of HAVCRl /TIM-I . The present invention also encompasses methods for identifying antagonists of the binding of Hepatitis A Virus to HAVCRl/TIM-1. The present invention also encompasses methods for identifying agonists of homophilic and heterophilic interactions of human TIM family members. Similarly, the structures and methods described herein allows the modeling of TIM family members from different vertebrates, which can be used to identify ligands of TIM family members that have agonistic or antagonistic activity and could be used for veterinary purposes. [0047] Due to the role that TIM family members play in modulating the immune system, such mimetics or antagonists would be useful in prevention or treatment of allergy or atopic diseases, or for prevention or treatment of autoimmune diseases. In particular, a ligand that mimics the binding of HAV to HAVCRl/TIM-1 would be useful for preventing and treating HAV infection and hepatitis A. Ligands that prevent homophilic or heterpophilic interactions of HAVCRl/TIMlwould be useful to treat and prevent kidney tumor formation and metastasis. Ligands of HAVCR1/TIM1 will be useful in preventing and treating asthma and other allergic diseases. Similarly, a ligand that blocks the activity of IgAλ binding to HAVCRl/TIM-1 would be expected to be useful in preventing the activation of antigen presenting cells (APCs) conversely a ligand that mimics the activity of IgAλ binding HAVCRl/TIM-1 would be useful for activating APCs. Finally, ligands of TIM3 would be useful in preventing and treating autoimmune diseases. [0048] Putative small molecule ligands, mimetics, agonists, or antagonists identified by the computer-aided design methods described above can be synthesized and tested in binding assays, e.g. as described herein in Example 2, to confirm binding biochemically. Variants can be made by, e.g. combinatorial library methods known in the art. Binding of natural or synthetic molecules that show low agonistic or antagonistic activities in biological assays could be modified to fit better into the TIM Ig-like domain using the structures and models described herein.

[0049] Putative peptide ligands, mimetics or antagonists identified by the computer-aided design methods described above can be synthesized and tested in binding assays, e.g. as described herein in Example 2, to confirm binding biochemically. Variants can be made by, e.g. phage display methods known in the art. The various evolutionary methods known in the art, e.g. SELEX, for selection of peptides with high affinity binding can also be applied.

A method for making mutations in a TIM family member can comprise i) selecting a portion of the IgV region of a TIM family member protein that is involved in homophilic, heterophilic or ligand binding as desired, ii) performing site-directed mutation of DNA encoding the IgV region of the

TIM family member to obtain a mutated DNA encoding the IgV region of the TIM family member, and iii) expressing the mutated DNA in a host cell to obtain the mutated TIM family member protein.

The effect of the mutation on activity of the TIM family member protein could be assessed by expressing the mutated DNA encoding the IgV region of the TIM family member in an appropriate host cell and then testing the expressed protein for alteration of homophilic, heterophilic or ligand binding as desired. The site- directed mutation of the TIM family member protein can be obtained by any method as known in the art, for example using a mutagenic oligonucleotide in a polymerase-chain reaction based mutagenesis method.

In a method to obtain mutant TIM family proteins that affect homophilic interactions, one or more of the following IgV portion of the TIM proteins is selected: a. Area 1 : defined by CC and FG loops. TIM-TIM interactions via the FG loop can be modified by mutating the FG loop directly and/or the CC loop that interact with the FG loop. b. Area 2: defined by BC and FG loops. Both loops are required for TIM- TIM interactions as defined by the crystal structures (Fig 3). c. Area 3: defined by the BED B-sheet and adjacent loops. The long FG loop interacts with this region if it is not fixed to the CC loop by a compound locking the cavity formed by the FG and CC loops (area 1). This area is where homophilic interactions occur. d. Area 4: the channel defined by the β-strand A at the bottom, the β-strand G at one side, and the β-barrel edge at the other side. On top, the channel is limited by the BC and FG loops. A mucin tail is likely to bind to this channel. The mucin stabilizes TIM-TIM interactions.

In a method to obtain mutant TIM family proteins that affect heterophilic interactions and/or ligand binding, one or more of the following IgV portion of the TIM proteins should be considered: a) Area 1 : defined by CC and FG loops. Binding of cations such as Ca++ and K+ and binding of potasium tartrate in Tim-4. This cavity is similar to one found in lectins that allows binding of sugars. This cavity can accommodate binding of a small molecule that could modulate binding of natural ligands, such as IgA to TIM-I , by restricting movement of FG loop needed for homophilic and heterophilic interaction as well as ligand binding. This surface is also the binding site for HAV (protective mAb 190/4 binds to the blue spot shown in Figure 1 IA). b) Area 2: defined by BC and FG loops. This is a binding area for natural ligands such as semaphorin 4A to Tim-2. c) Area 3: defined by the BED B-sheet and adjacent loops. The long FG loop interacts with this region if it is not fixed to the CC loop by a compound locking the cavity formed by the FG and CC loops (area 1). This area is where homophilic interactions occur and is available for heterophilic and ligand binding interactions. d) Area 4: the channel defined by the β-strand A at the bottom, the β-strand G at one side, and the β-barrel edge at the other side. On top, the channel is limited by the BC and FG loops. A mucin tail is likely to bind to this channel. The mucin stabilizes homophilic interactions, and plays a similar role in heterophilic and ligand binding interactions. e) Area 5: defined by the CC" loop (in green). This is the binding site for natural ligands such as galactin-9 in Tim-3.

After making the mutations desired, the homophilic and/or heterophilic interactions amon§ TIM family member proteins and the binding of said receptors to ligands are tested as disclosed herein in Example 4 and illustrated in Figures 13 to 16.

EXAMPLE 1: DETERMINATION OF THE CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAINS OF Tim-1, Tim-2, and Tim-4

MATERIALS AND METHODS Antibodies and cDNAs.

[0050] Anti-Tim mAbs were obtained from eBioscience, Inc. The full-length cDNA coding for Tim-1 was obtained from mouse EST #AA547594 derived from a Knowles Solter mouse 2-cell embryo cDNA library (IMAGE consortium, ATCC). The cDNA coding for full-length Tim-2 was obtained from EST #AA509542 derived from a C57BL/6J mouse mammary gland cDNA library (IMAGE consortium, ATCC). The cDNA of Tim-4 was also obtained from a library developed and characterized by the IMAGE consortium.

Protein sample preparation for crystallization.

[0051] Bacterial expression of the Cys-rich domain of Tim-1 , Tim-2, and Tim-4 cloned into the unique Ndel and Xhol sites of the pET-27b vector (Novagen) gave insoluble inclusion bodies. However, high yield of soluble Tim-1 , Tim-2, and Tim-4 receptor domains were prepared by in vitro refolding of the inclusion bodies. Refolding conditions were as described earlier (14). The refolded proteins had an N-terminal Met residue, residues 20 to 130 and 129 of the precursor Tim-1 and Tim-2 proteins (27), respectively, a thrombin recognition site and two protein tags included in the pET vector. The soluble proteins eluted from a Superdex-75 column (Amersham Biosciences) with the expected retention volume (15-20 kDa) and were recognized by the corresponding anti-Tim monoclonal antibodies. The recombinant proteins were thrombin treated to release C- terminal tags, dialyzed against sodium acetate buffer pH 5.5 and finally purified by ion- exchange chromatography.

Tim-1 , Tim-2, and Tim-4 crystallization and structure determination. [0052] Plate-like crystals of about 300 μm were initially raised with the Tim-2 protein at 12 mg/ml by the hanging drop method and with crystallization condition having 30% PEG-2000 methylether, 5% PEG-400, 0.2M ammonium sulphate, 0.1 M sodium acetate pH 4.6 and about 4% 1 ,2,3 heptanetriol. The Tim-2 crystals belong to the monoclinic C2 space group, they have two molecules in the asymmetric unit and 45% solvent content. Se- Met derivatized Tim-2 protein in bacteria (40) was crystallized under conditions similar to those used to crystallize the native Tim-2. Tiny plate-like crystals (50 μm) were raised with the Tim-1 protein domain using crystallization conditions similar to those used for Tim-2. The crystals belong to the orthorhombic P212121 space group, have two independent molecules in the asymmetric unit and about 37% solvent content. Diffraction data were processed with XDS (17) and scaled with SCALA (6). Details on structure determinations are presented in Supplementary Materials and methods. Final structure resolution was achieved by several cycles of manual model rebuilding and refinement with CNS (2). The current refined models contain all 1 16 amino acid residues of the Tim-1 protein construct and all 1 15 amino acid residues of the crystallized Tim-2 protein for molecule B, while the five N-terminal and the three C-terminal residues are missing for molecule A of Tim-2 (PDB files are provided as Appendix I). All residues are in allowed regions of Ramachandran plots. The N-terminal residue of Tim-1 in the Figure I D corresponds to Tyr4 in the Pdb file. The determined N-terminal His residue for the mammalian expressed Tim-2 receptor protein corresponds to His4 in the Pdb file. Buried surface in the Tim-1 and Tim-2 dimers were determined with the CCP4 program package (6) using a probe radius of 1.4. Ribbon figures were prepared with the program RIBBONS (3), while the stereo views and the molecular surfaces were done with PYMOL (http://www.pymol.org). The structure of Tim-4 was obtained and analyzed as described for Tim- 1.

Structure of the N-terminal Cys-rich domain of TIM receptors.

[0053] X-ray crystallography was used to determine the structure of the N-terminal Cys- rich domain of TIM family members. Functional domains of the Tim-1 and Tim-2 receptors were expressed using bacterial expression systems and crystals diffracting at high resolution were obtained. The crystal structure of the N-terminal Cys-rich region of Tim-2 was solved first by the SIRAS method at 1.5 A resolution, while the Tim-1 structure was subsequently determined to a resolution of 2.5 A. The structures revealed an IgSF domain belonging to the V set (IgV), related to the N-terminal domains of the CD4 and CAR (coxsackievirus and adenovirus receptor) cellular receptors (highest Z score in DALI search) (12). The Tim Cys-rich domains have two antiparallel β-sheets with particularly short β-strands B, E and D in one face (BED β-sheet) and the A, G, F, C, C and C" β-strands in the opposite one (GFC β-sheet) (Figs. IA, IB). A distinctive Pro residue found prior the first Cys in all TIM receptor domains is responsible of the short length of the β-strand B (Fig. I D), which differentiates the β-strands in the BED face from those in the GFC β-sheet. The first and last Cys residues in the N-terminal domain of the TIM receptors bridge the β-sandwich as in most IgSF domains, while the other four Cys residues characteristic of the TIM family form two external disulphide bonds that link the long CC'-loop to the GFC β-sheet (Fig. 1).

[0054] The Tim-1 and Tim-2 N-terminal domains share 66% sequence identity and high structural similarity (Fig, 1 C). The r.m.s. deviation between the two structures is 0.9 A, while the deviation between the two molecules in the asymmetric unit of the crystals is about 0.5 A. The alignment of the Tim-1 and Tim-2 structures showed just three misaligned regions (Fig. 1C, ID): the BC and FG loops, and the inter-disulphide region of the CC'-loop. The Tim-1 BC loop is one residue shorter than the Tim-2 loop and it does not have a helical conformation. The extended and hydrophobic Tim-1 FG-loop structure is more representative of the family than that of Tim-2 (Fig. ID). CC'-loop conformation variability in the TIMs and related IgSF receptors. [0055] The conformation of the inter-disulphide region of the CC'-loop is remarkably different in Tim-1 and Tim-2 (Fig. 1C). In Tim-2 the tip of the loop folds down and has a helical conformation, whereas in Tim-1 extends up onto the β-sheet. These differences arise from distinct contacts between residues in the loop and the β-sheet (Fig. 2). In Tim-2 the aromatic ring of Tyr39 locates on the top of the helical CC'-loop and contacts the hydrophobic side chains of Val89 and Phe98, while the preceding residues project toward the solvent (Fig. 2A). Interestingly, these three Tim-2 interacting residues are unique in the TIM family (Fig. ID). The van der Waals interactions are not sufficient to fix the conformation of the inter-disulphide region, so that the tip of the Tim-2 CC'-loop remains flexible and poorly defined in the electron density maps.

[0056] In Tim-1 the conformation of the CC'-loop tip is fixed by interactions with the Arg88 and Lys99 residues at the β-strands F and G, respectively (Fig. 2B). Their side chains hydrogen bond to main chain oxygen atoms of Pro35, Ser36 and Ala38 in the two molecules of the asymmetric unit. So, the disulphide bridged CC'-loop is additionally linked to the upper half of the β-sheet by the conserved Arg88 and Lys99 residues in the Tim-1 structure. These basic residues are conserved in all primate and murine TIM receptors but they are absent in Tim-2 (Fig. ID), which has a unique CC'-loop conformation.

[0057] The loops connecting the C and C β-strands are largely divergent both in length and conformation among V domains of IgSF receptors (37). The CC'-loop in the TIMs is seven residues longer than in the structurally related CD4 receptor and it has similar length but different conformation than in the homologous CAR domain (see Fig. 2C). In CAR the CC'-loop adopts an extended conformation, similar to the IgV domains λvhere the GFC β-sheet is engaged in ligand recognition (16, 20, 41, 44), whereas in the TIM and CEA V domains the loop turns up onto the β-sheet (Fig. 2C). A unique characteristic of the TIM receptors is that the folded CC'-loop is fixed by two external disulphide bonds that bridge it to the GFC β-sheet. The CC'-loop in the TIMs reduces the accessibility of the GFC β- sheet, which functions as a ligand binding surface in related IgSF receptors (20, 41, 43). Therefore, it is likely that the TIM receptors use the CC'-loop instead of the β-sheet for binding to their ligands, as described for binding of the CEA receptor to coronaviruses (37).

A conformational epitope onto the GFC β-sheet of Tim- 1.

[0058] In addition to the described variations between the CC'-loop of Tim-1 and Tim-2, there are also significant differences in the conformation of the neighbouring FG-loop (Fig. 1C). The FG-loop of Tim-1 contains two additional bulky aromatic residues, Trp94 and Phe95 that extend this loop (Fig. I D). The side chain of Phe95 comes close (~4A) to the tip of the CC'-loop in Tim-1 (Fig. 2B), providing an additional shield to the GFC β- sheet. The amino acid sequence similarities suggest that the conformational CCVFG epitope on the GFC face of the Tim-1 domain is conserved in the TIM receptor family, except for Tim-2 (Fig. 2A). Notice the enhanced hydrophobicity of this epitope in the human and monkey TIM-1 receptors, which have aromatic residues both in FG and CC loops.

Dimeric structure for Tim-2 and oligomerization on the cell surface. [0059] In solution two Tim-2 IgV domains self-associate at high protein concentration (Supplementary Fig. 1) and build up the asymmetric unit of the crystals (Fig. 3A). The angle between the two Tim-2 domains is around 60° (Fig. 3A), similar to intermolecular angles reported in structures showing dimerization in cis of receptors linked to the same cell surface (4). The large buried surface area of 775 A2 per monomer, similar to antigen- antibody complexes (800 A2) (13), indicates a tight association between the two Tim-2 domains. The molecules dimerize through the AB-edge of the domains, with the helical BC-loop of one molecule embracing the G-strand of the neighbouring domain (Fig. 3A). Main intermolecular contacts include residues following the β-strand B, such as the conserved Pro 15, the helical BC and CC loops from the two interacting molecules and residues on the FG-loop and upper half of the β-strand G (Fig. 3D). The His97 residue that begins the β-strand G is about the centre of the dimer interface (labelled in Fig. 3 A and blue in Fig. 3D). The hydrophobic cavity below the His97 side chain is occupied by an acetyl ligand, hydrogen bonded to the two neighbouring histidine residues (black in Fig. 3 A and Supplementary Fig. 2), while a network of water molecules hydrogen bonded to main chain oxygen atoms fill up the cavity over the His97 residue (Fig. 3A). Almost 50% of the total dimerization surface is buried by the helical BC-loop (365 A2), that sits onto the β-strand G and approaches to the helical CC'-loop of the neighbouring molecule (Fig. 3A). The His21 side chain on the BC-loop stacks over the long Arg36 side chain in the CC'-loop, while the hydrophobic Leu22 at the tip of the BC-loop inserts into a hydrophobic pocket built by Cys35, Tyr39 and Phe98 (Fig. 3A). Potential N-linked glycosylation sites lay below the interdomain interface and might contribute to the stability of the Tim-2 dimer.

Structure of Tim-4

[0060] The structure of the IgV domain of murine Tim-4 (Fig. 7A) was resolved similarly to that of Tim-1. Interestingly, in the Tim-4 crystals the IgV domains do not form intermolecular interactions as seen in the Tim-1 and Tim-2 crystals, and it is presented as a monomeric unit. This arrangement of the IgV domain indicated that the Cys-rich domain of Tim-4 does not form homophilic interactions and most likely do not interact with IgV domains of other TIM family members to form heterophilic interactions. The structure of the IgV domain of Tim-4 is highly similar to the IgV domain of Tim-1 described herein with some conformational flexibility in the BC and FG loops, particularly in the case on the BC-loop, which is quite flat in the Tim-4 structure. The characteristic CC'-loop of the TIM family shows a conserved conformation between the two structures (Fig. 7B). [0061] There are also striking differences in the conformation of the conserved Phe residue in the FG-loop. While in Tim-1 the Phe has a unique conformation and extends toward the CC'-loop, in Tim-4 the residue adopts two different conformations (Fig 7B). In one conformation (closed, dark blue) the side chain of the Phe residue inserts occupies a cavity between the FG and CC loops, while in the other conformation (open, light blue) it projects toward the top of the domain.

[0062] The Tim-4 structure defined a ligand binding pocket in the N-terminal IgV domain of TIMs. We found a tartrate (TLA) ion occupying a cavity between the CC and FG loops. The F95 residue adopted the open conformation defined by the Tim-4 structure (Fig. 8A), so that the cavity was empty and free for ligand binding. The TLA molecule was bound to an ion found coordinated to residues at the FG-loop (Fig 8B) with the F95 in an open conformation. The modeled potasium ion (K) was coordinated to the main chain oxygen atoms of V91 and G93 (Fig. 8C, marked with red asterisk) and the side chain oxygen of the conserved N96 and D97 residues (Fig. 8C, marked with blue asterisk). The loop structure defines a metal ion binding site, which could coordinate the Ca2+ ion required for the function of TIM family receptors. Interestingly, N and D residues are conserved in all members except Tim-2, which has a divergent structure that results in homophilic interaction in cis and the lack of a cation-binding pocket.

Model of Tim-3

[0063] The models were prepared with the program MODELLER, based on the Tim-1 crystal structure and sequence alignment presented in Fig. 1. The superimposed IgV structures of Tim-1, Tim-2 and Tim-4 with the model of Tim-3 (Fig. 9) show that they adopt a highly similar IgV domain with conformational variability in BC, FG and CC loops. The characteristic CC'-loop of the TIM family adopts a distinct conformation between the Tim-1 and Tim-2 structures, while the structure of the loop in Tim-1, Tim-3 and Tim-4 is very similar.

Models of the human TIM family members

[0064] The models of the human TIM family members (Fig. 10) were prepared with the program MODELLER, based on the Tim-1 crystal structure and sequence alignment presented in Fig. 1. As supported by the superimposed Tim-1 and Tim-4 crystal structures (Fig. 7B), the largest structural varibility of the human TIM family members is at the BC- loop, where there are some differences in the loop length among the TIM gene family. We would expect some structural variability in the FG-loop, particularly related to the type of ligand bound to the TTM domain. In contrast we expect conservation in the conformation of the long CC'-loop found in the TIM receptors.

EXAMPLE 2: BINDING STUDIES

Protein expression in mammalian cells.

[0065] Recombinant cDNAs coding for the complete extracellular region of the TIM receptors followed by a thrombin recognition site were cloned upstream a hemagglutinin A epitope (HA) or the IgGl -Fc (Fc) region in the pEF-BOS expression vector (14). Serum free cell supernatants with HA and Fc tagged soluble receptor proteins were prepared by transient expression in 293T cells and protein concentration (about 50 μg/ml) determined by a sandwich ELISA (14).

Receptor oligomerization.

[0066] Clarified cell supernatants collected from cells transfected with the vector (mock) or the recombinant pEF-Tim-HA constructs were incubated with or without 5 mM of BS3 ((Bis(sulfosuccinimidyl) suberate) (Pierce) overnight at 4°C. The reaction was quenched using 50 mM Tris pH 7.5 and incubated for 20 min at room temperature. Proteins were immunoprecipitated with anti-HA mAb and protein A-Sepharose, resolved by 8% SDS- PAGE under reducing conditions and transferred to a Hybond-P PVDF membrane (Amersham Biosciencies). HA-tagged proteins were detected by immunoblot with the anti-HA mAb and the ECL detection system (Amersham Biosciences). Cell supernatants having the Tim-2-HA receptor were used for chromatography analysis of receptor oligomerization. Supernatants were concentrated five times and run through a Supedex200 column with HBS buffer (20 mM Hepes and 100 mM NaCl, pH 7.5). The Tim-2-HA protein in the elution fractions was detected by ELISA with the anti-HA mAb. Molecular weight markers were run under the same conditions.

TIM-TIM binding assays.

[0067] Binding of soluble Fc fusion proteins to plastic coated IgV domain prepared in bacteria and Tim- 1 -HA protein prepared in mammalian cells was carried in duplicate wells of 96-well plates as described elsewhere (14). A control ICAM-I-Fc (IC1-2D) protein was included in the experiments. Soluble Fc fusion protein supernatants were supplemented with 5% FCS and diluted with binding buffer (20 mM Tris pH 7.5, 100 mM NaCl, 2.5 mM CaCl₂, and 1% BSA) at the indicated concentration. Binding of the Fc protein was monitored by OD at 492 nm (14). Blocking antibodies were used at 30 μg/ml. [0068] Protein A purified Fc fusion proteins were covalently coupled to 6 micron blue carboxylated microparticles using the carbodiimide kit as recommended by the manufacturers (Polyscience, Inc.). The poliovirus receptor (PVR) protein was included as control. 293H cells transfected with the plasmids containing cDNAs coding for the indicated proteins were incubated with coupled beads 24-48 h post-transfection in PBS supplemented with 2 %FBS at room temperature. After 15-30 min, unbound beads were washed extensively and cell monolayers in culture media examined under an inverted microscope (200X) for micrographs acquisition.

[0069] To confirm the relevance of the Tim-2 dimer structure and the organization of the Tim-2 receptor on the cell surface, we analyzed oligomerization of the complete extracellular region (IgV and mucin regions) of the receptor molecule. Cell supernatants containing soluble Tim receptors tagged with a HA epitope were treated with the BS3 crossl inker and analyzed by SDS-PAGE as described in Materials and methods (Fig. 3C). Since the experiment was done under non-saturating crosslinker concentration, most of the receptor molecules migrated as monomer (40 kD) in the denaturing gel. However, crosslinked Tim-2 receptor oligomers having molecular weights around 80, 120 and 150 IcD were seen in the BS3 treated Tim-2 supernatants (arrows in Fig. 3C). Interestingly, Tim-1 did not oligomerize under the same conditions, suggesting that this receptor must be expressed as a monomer on the cell surface. Heterogeneity related to O and N-linked glycosylation could account for the broad bands of the soluble Tim proteins. To further characterize Tim-2 oligomers poorly resolved in the electrophoresis we applied size exclusion chromatography in the absence of crosslinker (Fig. 4). This technique confirmed stable oligomerization of the Tim-2 receptor and identified tetrameric receptor forms (about 160 kD). The amount of monomer varied with the experimental conditions, indicating it might come from dissociation of Tim-2 oligomers. Since the isolated N- terminal IgV domain of Tim-2 dimerizes in the crystals and in solution (Fig3), it appears that the formation of larger Tim-2 oligomers requires the mucin domain, Homophilic TIM-TIM receptor interaction in the Tim-1 crystal structure. [0070] As shown for Tim-2 and differing from Tim-4, Tim-1 IgV domain dimerization was observed by chemical crosslinking at high protein concentration in solution . However, the association of the two Tim-1 domains in the asymmetric unit of the crystals was remarkably different from the Tim-2 structure (Fig. 3). In the Tim-1 crystals the two domains are related by a rotation angle of about 180° and have their C-terminal ends extending toward opposite directions (Fig. 3B), which is suggestive of an intermolecular interaction between cell surface receptors on opposite cell surfaces (43). The domains interact through the upper half of the BED face, including residues following the short β- strand B and at the DE-loop (Fig. 3B, 3D). Two Thrl7 residues from opposite molecules are hydrogen bonded at the centre of the dimer interface. Hydrophobic contacts include Thrl 3 and Pro 15 with the bulky Tyr21 side chain at the BC-loop of a neighbouring domain. Additional interacting sites between the two Tim-1 domains engage several residues between D and E β-strands (Fig. 3B, 3D). The conserved Asp69 and Ser71 preceding the β-strand E interact with Serl9 on the BC-loop of the opposite domain. Also His64 and Glu67 are involved in interdomain interactions. Although these residues at the helical DE-loop are not conserved, acid and basic residues alternate at the aligned positions in other TIM receptors (Fig. 3D), which point to a requirement of charge complementarity at the interacting DE-loops for binding of TIM receptors in trans. [0071] The interaction in trans through the BED side of the Tim-1 domains buries around 450 A² per monomer, significantly less than the 600 A² observed in intermolecular interactions between V domains of IgSF receptors binding through the GFC β-sheet (16, 20, 43). Occupancy of a cavity between the β-strand A and the FG-loop of the interacting domains could stabilize further the receptor interaction. In the crystals the cavity is occupied by the C-terminal end of a symmetry related domain (Supplementary Fig. 4). In the native Tim-1 receptor O-linked glycans from the contiguous mucin domain could penetrate in the interdomain cavity and bridge interacting receptors from opposite cells (Fig. 3B). Potential glycan-interacting residues such as Glu3 and Lys5 at the β-strands A, the conserved Asn96 at the β-strand G, and the hydrophobic Prol 5 and Tyr21 lay on the , "walls" of the cavity. A polymorphism in Tim-3 modifies some of the residues at this potential glycan-binding site (green in Fig. 3D).

[0072] Although intercellular high affinity binding of Tim-1 to Tim-4 has been described in the past (30), our results are the first indication of homophilic binding in the TIM family. To analyze the relevance of this interaction both protein and cell binding assays were performed (Fig. 5). Binding of a soluble Tim-l-Fc fusion protein to plastic coated Tim-1 proteins having either the isolated IgV domain used in crystallization or the complete extracellular region of the receptor was assessed by protein-protein-binding assay (Figs. 5A, 5B), showing Tim 1 -Tim 1 binding through the N-terminal IgV domain. Tim-2-Fc fusion protein did not bind to either Tim-1 (Figs. 5 A, 5B) or Tim-2 proteins. Homophilic Tim-1 binding was specifically blocked by the Tl .10 mAb that recognizes the IgSF domain and by the addition of EDTA (Fig. 5C), which indicates a requirement of divalent cations for high affinity binding and suggests involvement of carbohydrates from the mucin domain. Interestingly, the mutation His64/Glu in the soluble Tim-1 -Fc protein significantly reduced its binding to Tim-1 proteins on plates (Fig. 5C), showing a critical contribution of the DE-loop to the homophilic interaction revealed by the Tim-1 structure (Fig.3B). In addition, beads coated with Tim-1 -Fc bound to cell surface expressed Tim-1 and this interaction was blocked by the Tl .10 mAb. Moreover, beads coated with the human TIM-I -Fc protein also bound specifically to TIM-1 receptor expressed on the surface of 293 cells (Fig. 5D), showing that this homophilic adhesion interaction is conserved in mice and humans. Homophilic TIM-1 binding required both IgV and mucin domains.

EXAMPLE 3: IDENTIFICATION OF LIGAND BINDING SURFACES [0073] Based on the structure of the TIM family members, at least five areas have been defined as major targets for ligands that will act as agonists or antagonists of TIM family member interactions. The five areas described below are defined by surface residues depicted in Figure 1 1 A on the structure of Tim-1 taken as an example of all TIM family members. The corresponding residues in the other murine and human TIM family members are defined in the alignment of the corresponding sequences in Figure 1 1 B. The 5 defined surface areas for interactions are:

[0074] Area 1 : defined by CC and FG loops. Binding of cations such as Ca++ and K+ and binding of potasium tartrate in Tim-4. This cavity is similar to one found in lectins that allows binding of sugars. This cavity can accommodate binding of a small molecule that could inhibit binding of natural ligands, such as IgA to Tim-1 or TIM-1, by restricting movement of FG loop needed for homophilic interaction and interaction with IgA. This surface is also the binding site for HAV (protective mAb 190/4 binds to the blue spot shown in Figure 1 I A). [0075] Area 2: defined by BC and FG loops. This is the binding site for semaphorin 4A to Tim-2. This surface defines a target for small molecules and mAbs to block the interaction of TIMs with ligands.

[0076] Area 3: defined by the BED B-sheet and adjacent loops. The long FG loop interacts with this region if it is not fixed to the CC loop by a compound locking the cavity formed by the FG and CC loops (area 1). This area is where homophilic, and most likely IgA and other heterophilic interactions occur. Small molecules that bind to this area could stabilize interactions such as cell adhesion and activation of APCs. mAbs to this area could prevent adhesion, and tumor development.

[0077] Area 4: the channel defined by the β-strand A at the bottom, the β-strand G at one side, and the β-barrel edge at the other side. On top, the channel is limited by the BC and FG loops. A mucin tail is likely to bind to this channel. The mucin is needed for uncoating of HAV, and alleles with longer mucins are protective against asthma. Therefore, small molecules that prevent binding of the mucin will prevent virus infection and enhance Th2 responses, and molecules that enhance binding of mucin could prevent asthma and atopy.

[0078] Area 5: defined by the CC" loop (in green). This is the binding site for galactin-9 in Tim-3. Binding of small molecules and mAbs will block interaction with natural ligands and modulate ThI responses.

[0079] The crystal structures of the N-terminal ligand binding domain of two TIM family members provide insight into the immune functions of these receptors. The structures of the related Tim-1 and Tim-2 proteins showed marked differences in presentation of ligand-binding epitopes, suggestive of two distinct modes of ligand recognition by these cellular receptors (Fig. 6).

A unique Iigand-recognition mode for Tim-2 in the TIM family.

[0080] OIigomerization of the Tim-2 receptor on the cell surface together with stable dimerization through the N-terminal domain builds a unique macromolecular complex suited for multimeric ligand binding, which is consistent with Tim-2 recognition of oligomeric ligands such as Semaphorins and H-ferritin (5, 23). Dimerization of the N- terminal IgV domain generates a relatively large glycan-free surface on the macromolecular complex, with a prominent and extended conformational epitope built by the structurally connected CC and BC-loops in the dimer (Fig. 6A). The top face of the N-terminal Tim-2 domain dimer complements well in shape with the concave ligand binding surface defined by a Semaphorin dimer structure (not shown) (25). Moreover, receptor oligomerization through the mucin domain on the cell surface would facilitate multivalent binding and subsequent endocytosis of the large H-ferritin polymer (24). The observed role of the mucin domain in self-association of the Tim-2 receptor on the cell surface is likely to be shared by other TIM receptor molecules and have some influence on their ligand recognition specificities. Polymorphisms in the mucin domain might then affect receptor oligomerization and function.

[0081] The striking differences in receptor oligomerization and presentation of ligand binding surfaces (Fig. 6) must have influence on the diversity in ligand binding and function reported here and elsewhere for Tim-1 and Tim-2. Dimerization of the N-terminal domain of Tim-2 buries the domain surface engaged in homophilic Tim-1 interactions (Fig. 3, 6), preventing Tim-2 binding to Tim-1 as well as homophilic Tim-2 binding (Fig 5). Preliminary observations showed that disruption of the Tim-2 dimer allowed binding to Tim-1 ).

Distinctive structural motif conserved in the TIM family.

[0082] The "extra" four Cys residues characteristic of the IgV domain in TIMs fix the folded conformation of the long CC'-loop onto the GFC β-sheet. The conformation of the loop in Tim-2 appears to be unique within the TIM family. The conservation of the residues bridging the CC'-loop to the β-sheet in Tim-lsuggests that its conformation will be shared by other TIM receptors (Fig. 2B and ID). Similarly, conservation of the epitope built by the structurally connected CC and FG loops (CCVFG) in Tim-1 is also expected, thus providing a distinctive structural motif in the family. The protruding CCVFG epitope shields the GFC β-sheet from ligand recognition, suggesting a divergence in ligand recognition modes between the TIMs and related IgSF receptors, which use the flat GFC β-sheet for intermolecular interactions (16, 20, 41, 43). The CCVFG epitope will prevent extended intermolecular interactions through the GFC β-sheets in receptors of the TIM family.

Virus binding to HAVCRl /TIM-I.

[0083] HAV specifically binds to the N-terminal domain of the human and monkey TIM- 1 receptors (HAVCRl /TIM-I) (9, 18), while no binding to mouse Tim-1 has been detected (Kaplan et al., unpublished results). The expected structural similarity between the primate and mouse N-terminal domains allowed us to define a virus binding surface based on a gene polymorphism in monkey HAVCRl/TIM-1 that abolished binding of a protective mAb (190/4) (8) (Fig. 6B). The antibody blocks HAV receptor binding and protects cells from infection. The antigenic variant (Lys/Gln) aligns with Glu90 in Tim-1 (Fig. I D), near the CC7FG epitope (blue in Fig. 6B), locating the virus binding surface on the GFC face of the IgV domain. Interestingly, a GIu residue is also found in human TIM- 1 receptor, which binds to HAV but it is not recognized by the 190/4 antibody. The protruding conformation of the CCVFG epitope and its specific hydrophobicity in the HAVCRl/TIM-1 receptors could be suited for HAV recognition, as described for virus binding epitopes in other viral receptors (37). Moreover, the conservation of the FG-loop between the primate and mouse TIM-1 receptors indicate that the enhanced hydrophobicity of the CC'-loop in HAVCRl/TIM-1 could determine its virus binding specificity (Fig. ID). The unique Phe residue in the primate receptors at the Ser37 position of the Tim-1 CC'-loop (Fig. 6B) could in fact be a critical virus binding residue, as described for a hydrophobic residue at the homologous loop in the CEA coronavirus receptor (37). Moreover, receptor oligomerization through the long mucin domains of the human and monkey TIM-1 could facilitate multimeric HAV receptor binding and subsequent cell entry.

Hemophilic TIM-TIM binding interactions.

[0084] The crystal structure of Tim-1 identified a new homophilic TIM-TIM receptor interaction that is conserved in mice and humans and is likely relevant for the regulation of immune functions by these receptors. Engagement of Tim-1 on the T cell surface by different ligands triggers a cell regulatory signal that has been linked to important immune reactions (29, 30, 39). Therefore, the homophilic Tim-1 binding interaction described here plays a role in the regulation of immune processes both in mice and humans, such as the reported hyperproliferation of T-cells observed in mice after treatment with soluble Tim-1 molecules (30). Tim-1 is expressed on the surface of B cells and activated T cells (30), so that the homophilic Tim-1 interaction can mediate B-T cell adhesion interactions and play a role in regulation of immune responses mediated through such interactions. Engagement of Tim-1 on the surface of B cells could deliver a signal leading to their differentiation in germinal centers required for subsequent development of memory B cells and affinity maturation (33). Tim-1 signalling to T cells could explain the reported role of B cells in optimization of T cell expansion and generation of memory and effector T cells (7). The conservation of the homophilic Tim-1 receptor interaction both in mice and humans supports a conserved role in B-T cell cross-talk and its relevance in the immune system. [0085] The homophilic Tim-1 IgV domain binding pictured by the crystal structure revealed a striking difference to those mediated by related IgSF receptors. The Tim-1 IgV domains contact through their BED faces, opposite to the ligand binding GFC face in IgSF receptors (16, 20, 41 , 43), which is covered in Tim-1 by the CCVFG epitope (Fig. 3B, 6B). A mutation (His64/Glu) at the DE-loop of Tim-1 affected significantly the homophilic Tim-1 interaction (Fig. 5C), confirming the relevance of the structure and suggesting a critical contribution of the loop to the binding interaction. Although homophilic binding engages the N-terminal IgV domain, experiments shown in Figure 4 suggest that carbohydrates from the contiguous mucin domain also contribute to the interaction. Potential O-linked glycosylation sites are close to the C-terminal end of the IgV domain in most TIMs (21 , 27), particularly in the TIM-4 receptors. O-linked glycans from the mucin domain could participate in intercellular interactions among TIM receptors by occupying cavities generated upon N-terminal domain binding, such as that seen between the interacting Tim-1 domains. The cavity between β-strand A and FG-loop of two interacting Tim-1 IgV domains defines a potential glycan interacting site, having amino acid residues found at glycan-recognition sites of lectins (45). Furthermore, polymorphisms in the mucin domain near the end of the IgV domain (27) might have also some influence on the contribution of the O-linked glycans to the homophilic binding interactions, modulating cell adhesions mediated by receptors of the TIM family. [0086] EXAMPLE 4: TARGETING MUTATIONS BASED ON THE STRUCTURE OF TIM FAMILY MEMBERS

[0087] The structure of TIM family members was utilized to target mutations that induce changes in the homophilic and heterophilic interactions of these receptors. The mouse Tim-1, mouse Tim-2 and the human HAVCR1/TIM1 were mutated and the effect of the mutations was assessed biochemically. The targeted mutations produced have a pronounced effect in the behavior of the TIM family of receptors. [0088] 1) Mutations in the BC-loop of Tim-1.

[0089] The BC loop, an important loop for the homophilic interactions of mouse Tim-1 (Area 3, see Figure 1 IA), was mutated and homophilic interactions were analyzed by binding soluble Tim-1 -Fc fusion protein to Tim-1 IgV protein coated onto 96-well plates.

[0090] A His64/Glu mutation in the IgV domain of Tim-1 was introduced into the cDNA of Tim-1 -Fc by the overlapping PCR technique with the Pfu I polymerase using oligonuceleotide Tl-DE. E. D:

5 '-TTAAAGGGGGAAATTTCAGAAGGA-S ' , and the construct was termed Tim-1 His64/Glu. cDNAs coding for the complete extracellular region of the Tim-1 or the Tim-1 His64/Glu mutant followed by a thrombin recognition site were cloned upstream of the IgGl -Fc (Fc) region in the pEF-BOS expression vector (15). Serum free cell supernatants containing the Fc tagged soluble receptor proteins were prepared by transient expression in 293T cells. Supernatants were concentrated using Amicon 100 filters until the concentration of the Fc fusion proteins reached about 50 μg/ml and determined by a sandwich ELISA (15). Concentrated soluble Fc fusion protein supernatants were supplemented with 5% FCS and diluted with binding buffer (20 mM Tris pH 7.5, 100 mM NaCl, 2.5 mM CaCl₂, and 1% BSA). Binding of the Fc protein was monitored by OD at 492 nm (15) (Figure 13). The mutation of amino acid residue 64 in mouse Tim-1 from His to GIu resulted in an 80% decrease in homophilic binding to Tim-1.

Similarly, we introduced mutations in the BC-loop of the IgV domain of human TIM-1 and analyzed homphilic interactions. Two DE-loop human TIM-1 mutants were constructed: the Arg65/Glu mutant containing a GIu residue at position 65, and the DEtI mutant containing the double mutation Asp62/His and Arg65/Glu. Overlapping PCR technique with the Pfu I polymerase was used to construct the mutants. The Arg65/Glu mutant was contructed using mutagenic oligonucleotide

5 '-CTATTGGGGGACCTTTCAGAAAGGGATGTC-S ', and the DEtI mutant of was constructed using mutagenic oligonucleotide

5 '-CTATTGGGGCACCTTTCAGAAAGGGATGTC-S ' . The cDNAs coding for the complete extracellular region of the TIM-I mutants Arg65/Glu and DEtI mutants followed by a thrombin recognition site were cloned upstream the IgGl-Fc region in the pEF-BOS expression vector(15). Serum free cell supernatants containing the Fc tagged soluble receptor proteins were prepared by transient expression in 293T cells. Supernatants were concentrated using amicon 100 filters until the concentration of the Fc fusion proteins reached about 50 μg/ml ans determined by a sandwich ELISA (15). Concentrated soluble Fc fusion protein supernatants were supplemented with 5% FCS and diluted with binding buffer (20 mM Tris pH 7.5, 100 mM NaCl, 2.5 mM CaCl₂, and 1% BSA). Binding of the Fc protein was monitored by OD at 492 nm (15) (Figure 14). The Arg65/Glu mutation resulted in an 50% decrease in homophilic binding to TIM-I , and the DEtI double mutant resulted in an even higher degree of inhibition (80%) of homophilic binding (Fig. 14). As expected, neither Tim-2 nor ICAM-I (IC 1 -2D) bound to TIM-I . Interestingly, mouse Tim-1 bound better to human TIM-I than human TIM-I itself. A mutation of amino acid residue 62 from Asp to Arg, which resembles the mouse Tim-1 receptor, resulted in a 100% increase in homophilic binding.

Therefore, mutation in the BC-loop predicted to be an important area for homophilic interactions of TIM family members can result in an increase or decrease in homophilic interactions. Consequently, mutation in the BC-loop will increase or reduce cell adhesion and influence homophilic and heterophilic interactions.

2) Mutations in the BC loop of Tim-2

The BC-loop of Tim-2 required for the formation of dimers was mutated to resemble the Tim-1 loop. The mutation in the IgV domain of Tim-2 was introduced by verlapping PCR technique with the Pfu I polymerase using oligonuceleotide T2-BCtl .D 5'- ATTTATTCGACATATCGTGGAATCGTTCCTATG-S'. Presence of the mutation was verified by sequencing and the mutant was termed Tim2-BCtl . Recombinant wild type or mutated cDNAs coding for the complete extracellular region of the TIM receptors followed by hemagglutinin A epitope (HA) region were cloned into the pEF-BOS expression vector (15). Serum free cell supernatants containing the HA-tagged soluble receptor proteins were prepared by transient expression in 293T cells. Supernatants were concentrated using Amicon-100 filters until the concentration of the fusion proteins reached about 50 μg/ml as determined by a sandwich ELISA(15). Concentrated soluble Fc fusion protein supernatants were supplemented with 5% FCS and diluted with binding buffer (20 mM Tris pH 7.5, 100 mM NaCl, 2.5 mM CaCl₂, and 1 % BSA). Cell supernatants having the TIM-HA proteins Tim-2-HA , mutated Tim-2-HA BCtI, or Tim- 1-HA receptors were used for chromatography analysis of receptor oligomerization. Supernatants were concentrated five times and run through a Superdex™-200 column with HBS buffer (20 mM Hepes and 100 mM NaCl, pH 7.5). The TIM-HA proteins in the elution fractions were detected by ELISA with anti-HA mAb. Molecular weight markers were run under the same conditions.

This replacement of BC-loop residues (HLG) of Tim-2 for the aligned residues of Tim-1 (YR) reduced the amount of the Tim-2 high molecular weight oligomer (Fig. 15), in agreement with the contribution of the BC-loop to Tim-2 receptor oligomerization revealed by the IgV crystal structure.

3)Mιitations in the CC loop.

The structure of the TIM family members predicted that the interaction of the CC with FG loops (Area 1 , see Figure 1 IA) modulates the accessibility of the FG-loop and conformation of the BC-loop. To test this prediction, the CC-loop of TIMl was mutated by swapping amino acids SLFT found between the 3^rd and 4ⁿ Cys residues of TIMl for amino acids residues PYSG found in the same positions of human TIM4. Binding of IgA to the mutated TIMl was then assessed.

The TIMl mutant was prepared by overlapping PCR using the mutagenic oligonucleotide 5 '-TGTCCCTACTCCGGTTGCCAAAATGGCATTGTCTGGACC-S ' . The resulting PCR fragment was cloned into the cDNA of TIMl-Fc, and the resulting mutant was termed TIMl(Cys3-4)-Fc. The sequence of the mutant was verified by automatic nucleotide sequence analysis. CHO dhfr- cells were cotransfected with the TIMl(Cys3- 4)-Fc plasmid and a plasmid coding for the DHFR gene. CHO cell transfectants were selected in Iscove's media, and the expression of TIMl (Cys3-4)-Fc was optimized with increasing concentrations of methotrexate. The TIMl(Cys3-4)-Fc protein was purified from the supernatants of the CHO transfectants using chromatography in protein A columns.

[0091]/« vitro ELISA was used to analyze binding of IgA to the mutated receptor (Fig 16). TIMl -Fc or TIMl (Cys3-4)-Fc (l μg/ml) were captured on 96-well plates (Nunc, Inc.) coated with 1 μg/ml goat anti-human Fc . Human secretory IgA (starting at 1 μg/ml) was titrated on the plates and stained with peroxidase-labeled anti-human IgA and One- Component TMB. Absorbance at 450 nm was determined in an ELISA plate reader. This in vitro binding assay clearly showed that TIMl (Cys3-4)-Fc did not bind IgA.

REFERENCES

[0092] Various articles of the scientific periodical and patent literature are cited throughout this paper. Each such article is hereby incorporated by reference in its entirety, and for all purposes, by such citation.

1. Bailly, V., Z. Zhang, W. Meier, R. Cate, M. Sanicola, and J. V. Bonventre.

2002. Shedding of Kidney Injury Molecule- 1 , a Putative Adhesion Protein Involved in Renal Regeneration. J. Biol. Chem. 277:39739-39748.

2. Brunger, A. T., P. D. Adams, G. M. Clore, W. L. DeLano, P. Gros, R. W. Grosse-Kunstleve, J.-S. Jiang, J. Kuszewski, N. Nilges, N. S. Pannu, R. J. Read, L. M. Rice, T. Simonson, and G. L. Warren. 1998. Crystallography and NMR system (CNS): A new software system for macromolecular structure determination. Acta Cryst. D 54:905-921.

3. Carson, M. 1987. Ribbon models of macromolecules. J. MoI. Graph. 5: 103-106. 4. Casasnovas, J. M., T. Stehle, J.-H. Liu, J.-H. Wang, and T. A. Springer. 1998. A dimeric crystal structure for the N-terminal two domains of intercellular adhesion molecule- 1. Proc.Natl.Acad.Sci.USA 95:4134-4139.

5. Chen, T. T., L. Li, D. H. Chung, C. D. Allen, S. V. Torti, F. M. Torti, J. G. Cyster, C. Y. Chen, F. M. Brodsky, E. C. Niemi, M. C. Nakamura, W. E. Seaman, and M. R. Daws. 2005. TIM-2 is expressed on B cells and in liver and kidney and is a receptor for H-ferritin endocytosis. J Exp Med 202:955-65.

6. Collaborative Computational Project, N. 1994. The CCP4 Suite: Programs for Protein Crystallography. Acta Cryst. D 50:760-763.

7. Crawford, A., M. Macleod, T. Schumacher, L. Corlett, and D. Gray. 2006. Primary T cell expansion and differentiation in vivo requires antigen presentation by B cells. J. Immunol. 176:3498-506.

8. Feigelstock, D., P. Thompson, P. Mattoo, and G. G. Kaplan. 1998. Polymorphisms of the hepatitis A virus cellular receptor 1 in African green monkey kidney cells result in antigenic variants that do not react with protective monoclonal antibody 190/4. J Virol 72:6218-22.

9. Feigelstock, D., P. Thompson, P. Mattoo, Y. Zhang, and G. G. Kaplan. 1998. The human homolog of HAVcr-1 codes for a hepatitis A virus cellular receptor. J Virol 72:6621 -8.

10. Han, W. K., V. Bailly, R. Abichandani, R. Thadhani, and J. V. Bonventre. 2002. Kidney Injury Molecule- 1 (KIM-I): a novel biomarker for human renal proximal tubule injury. Kidney Int 62:237-44.

1 1. Han, W. K., and J. V. Bonventre. 2004. Biologic markers for the early detection of acute kidney injury. Curr Opin Crit Care 10:476-82.

12. Holm, L., and C. Sander. 1993. Protein Structure Comparison by Alignment of Distance Matrices. J. MoI. Biol. 233: 123-138.

13. Janin, J. 1997. Specific versus non-specific contacts in protein crystals. Nat. Struct. Biol. 4:973-4.

14. Jimenez, D., P. Roda, T. A. Springer, and J. M. Casasnovas. 2005. Contribution of N-linked glycans to the conformation and function of intercellular adhesion molecules (ICAMs). J. Biol. Chem. 280:5854-5861. 15. Jimenez, D., P. Roda-Navarro, T. A. Springer, and J. M. Casasnovas. 2005. Contribution of N-linked glycans to the conformation and function of intercellular adhesion molecules (ICAMs). J Biol Chem 280:5854-61.

16. Jones, E. Y., S. J. Davis, A. F. Williams, K. Harlos, and D. I. Stuart. 1992. Crystal structure at 2.8 A resolution of a soluble form of the cell adhesion molecule CD2. Nature 360:232-239.

17. Kabsch, W. 1993. Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants. J. Appl. Cryst. 26:795-800.

18. Kaplan, G., A. Totsuka, P. Thompson, T. Akatsuka, Y. Moritsugu, and S. M. Feinstone. 1996. Identification of a surface glycoprotein on African green monkey kidney cells as a receptor for hepatitis A virus. Embo J 15:4282-96.

19. Khademi, M., Z. Illes, A. W. Gielen, M. Marta, N. Takazawa, C. Baecher- Allan, L. Brundin, J. Hannerz, C. Martin, R. A. Harris, D. A. Hafler, V. K. Kuchroo, T. Olsson, F. Piehl, and E. Wallstrom. 2004. T Cell Ig- and mucin- domain-containing molecule-3 (TIM-3) and TIM-I molecules are differentially expressed on human ThI and Th2 cells and in cerebrospinal fluid-derived mononuclear cells in multiple sclerosis. J Immunol 172:7169-76.

20. Kostrewa, D., M. Brockhaus, A. D'Arcy, G. E. Dale, P. Nelboeck, G. Schmid, F. Mueller, G. Bazzoni, E. Dejana, T. Bartfai, F. K. Winkler, and M. Hennig. 2001. X-ray structure of junctional adhesion molecule: structural basis for homophilic adhesion via a novel dimerization motif. EMBO J. 20:4391-8.

21. Kuchroo, V. K., D. T. Umetsu, R. H. DeKruyff, and G. J. Freeman. 2003. The TIM gene family: Emerging roles in immunity and diesase. Nat Reviews 3:454- 462.

22. Kuchroo, V. K., D. T. Umetsu, R. H. DeKruyff, and G. J. Freeman. 2003. The TIM gene family: emerging roles in immunity and disease. Nat Rev Immunol 3:454-62.

23. Kumanogoh, A., S. Marukawa, K. Suzuki, N. Takegahara, C. Watanabe, E. Ch'ng, I. Ishida, H. Fujimura, S. Sakoda, K. Yoshida, and H. Kikutani. 2002. Class IV semaphorin Sema4A enhances T-cell activation and interacts with Tim-2. Nature 419:629-33. 24. Lawson, D. M., P. J. Artymiuk, S. J. Yewdall, J. M. A. Smith, J. C. Livingstone, A. Treffry, A. Luzzago, S. Levi, P. Arosio, G. Cesareni, C. D. Thomas, W. V. Shaw, and P. M. Harrison. 1991. Solving the structure of human H ferritin by genetically engineering intermolecular crystal contacts. Nature 349:541-544.

25. Love, C. A., K. Harlos, N. Mavaddat, S. J. Davis, D. I. Stuart, E. Y. Jones, and R. M. Esnouf. 2003. The ligand-binding face of the semaphorins revealed by the high-resolution crystal structure of SEMA4D. Nat. Struct. Biol. 10:843-848.

26. Mclntire, J. J., D. T. Umetsu, and R. H. DeKruyff. 2004. TIM-I, a novel allergy and asthma susceptibility gene. Springer Semin Immunopathol 25:335-48.

27. Mclntire, J. J., S. E. Umetsu, O. Akbari, M. Potter, V. K. Kuchroo, G. S. Barsh, G. J. Freeman, D. T. Umetsu, and R. H. DeKruyff. 2001. Identification of Tapr (an airway hyperreactivity regulatory locus) and the linked Tim gene family. Nat Immunol 2: 1 109-16.

28. Mclntire, J. J., S. E. Umetsu, C. Macaubas, E. G. Hoyte, C. Cinnioglu, L. L. Cavalli-Sforza, G. S. Barsh, J. F. Hallmayer, P. A. Underhill, N. J. Risch, G. J. Freeman, R. H. DeKruyff, and D. T. Umetsu. 2003. Immunology: hepatitis A virus link to atopic disease. Nature 425:576.

29. Mesri, M., G. Smithson, A. Ghatpande, A. Chapoval, S. Shenoy, F. Boldog, C. Hackett, C. E. Pena, C. Burgess, A. Bendele, R. A. Shimkets, and G. C. Starling. 2006. Inhibition of in vitro and in vivo T cell responses by recombinant human Tim-1 extracellular domain proteins. Int. Immunol. 18:473-484.

30. Meyers, J. H., S. Chakravarti, D. Schlesinger, Z. Illes, H. Waldner, S. E. Umetsu, J. Kenny, X. X. Zheng, D. T. Umetsu, R. H. DeKruyff, T. B. Strom, and V. K. Kuchroo. 2005. TIM-4 is the ligand for TIM-I , and the TIM-l -TIM-4 interaction regulates T cell proliferation. Nat Immunol 6:455-64.

31 . Meyers, J. H., C. A. Sabatos, S. Chakravarti, and V. K. Kuchroo. 2005. The TIM gene family regulates autoimmune and allergic diseases. Trends MoI Med 11:362-9.

32. Monney, L., C. A. Sabatos, J. L. Gaglia, A. Ryu, H. Waldner, T. Chernova, S. Manning, E. A. Greenfield, A. J. Coyle, R. A. Sobel, G. J. Freeman, and V. K. Kuchroo. 2002. ThI -specific cell surface protein Tim-3 regulates macrophage activation and severity of an autoimmune disease. Nature 415:536-541.

33. Pulendran, B., and R. Ahmed. 2006. Translating innate immunity into immunological memory: implications for vaccine development. Cell 124:849-63.

34. Sabatos, C. A., S. Chakravarti, E. Cha, A. Schubart, A. Sanchez-Fueyo, X. X. Zheng, A. J. Coyle, T. B. Strom, G. J. Freeman, and V. K. Kuchroo. 2003. Interaction of Tim-3 and Tim-3 ligand regulates T helper type 1 responses and induction of peripheral tolerance. Nat Immunol 4: 1102-10.

35. Sanchez-Fueyo, A., J. Tian, D. Picarella, C. Domenig, X. X. Zheng, C. A. Sabatos, N. Manlongat, O. Bender, T. Kamradt, V. K. Kuchroo, J.-C. Gutierrez-Ramos, A. J. Coyle, and T. B. Strom. 2003. Tim-3 inhibits T helper type 1 -mediated auto- and alloimmune responses and promotes immunological tolerance. Nat. Immunol. 4: 1093-1 101.

36. Silberstein, E., L. Xing, W. van de Beek, J. Lu, H. Cheng, and G. G. Kaplan. 2003. Alteration of hepatitis A virus (HAV) particles by a soluble form of HAV cellular receptor 1 containing the immunoglobin-and mucin-like regions. J Virol 77:8765-74.

37. Tan, K., B. D. Zelus, R. Meijers, J.-h. Liu, J. M. Bergelson, N. Duke, R. Zhang, A. Joachimiak, K. V. Holmes, and J.-h. Wang. 2002. Crystal structure of murine sCEAC AMIa[1 , 4] :a coronavirus receptor in the CEA family. EMBO J. 21:2076-2086.

38. Thompson, P., J. Lu, and G. G. Kaplan. 1998. The Cys-rich region of hepatitis A virus cellular receptor 1 is required for binding of hepatitis A virus and protective monoclonal antidody 190/4, J. Virol. 72:3751-3761 .

39. Umetsu, S. E., W. L. Lee, J. J. Mclntire, L. Downey, B. Sanjanwala, O. Akbari, G. J. Berry, H. Nagumo, G. J. Freeman, D. T. Umetsu, and R. H. DeKruyff. 2005. TIM-I induces T cell activation and inhibits the development of peripheral tolerance. Nat Immunol 6:447-54.

40. Van Duyne, G. D., R. F. Standaert, P. A. Karplus, S. L. Schreiber, and J. Clardy. 1993. Atomic structures of the human immunophilin FKBP- 12 complexes with FK506 and rapamycin. J. MoI. Biol. 229: 105-24. 41. van Raaij, M. J., E. Chouin, H. van der Zandt, J. M. Bergelson, and S.

Cusack. 2000. Dimeric Structure of the Coxsackievirus and Adenovirus Receptor Dl Domain at 1.7 A Resolution. Structure 8: 1 147-1 155.

42. Vila, M. R., G. G. Kaplan, D. Feigelstock, M. Nadal, J. Morote, R. Porta, J. Bellmunt, and A. Meseguer. 2004. Hepatitis A virus receptor blocks cell differentiation and is overexpressed in clear cell renal cell carcinoma. Kidney Int 65: 1761-73.

43. Wang, J.-h., A. Smolyar, K. Tan, J.-h. Liu, M. Kim, Z.-y. J. Sun, G. Wagner, and E. L. Reinherz. 1999. Structure of a Heterophilic Adhesion Complex between the Human CD2 and CD58 (LFA-3) Counterreceptors. Cell 97:791 -803.

44. Wang, X., and J. M. Bergelson. 1999. Coxsackievirus and adenovirus receptor cytoplasmic and transmembrane domains are not essential for coxsackievirus and adenovirus infection. J Virol 73:2559-62.

45. Weis, W. L, and K. Drickamer. 1996. Structural basis of lectin-carbohydrate recognition. Annu Rev Biochem 65:441 -73.

46. Wolfgang, K., and C. Sander. 1983. Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Biopolymers 22:2577-2637.

47. Zhu, C, A. C. Anderson, A. Schubart, H. Xiong, J. Imitola, S. J. Khoury, X. X. Zheng, T. B. Strom, and V. K. Kuchroo. 2005. The Tim-3 ligand galectin-9 negatively regulates T helper type 1 immunity. Nat Immunol 6: 1245-52.

Claims

What is claimed is:

1. A method for identifying and/or refining modulators of homophilic interactions of TIM family members, comprising: a) providing the atomic co-ordinates of TIM family member monomers, thereby defining a three-dimensional structure of TIM family members; b) using said three dimensional structure of TIM family members to design, refine the structure, or select a potential modulator by computer modeling a structure that contacts said three dimensional structure of TIM family members along conformational epitopes defined by the homophilic interactions described in the corresponding structures; c) providing said potential modulator; and d) physically contacting said potential modulator with TIM family member protein to determine the ability of said potential modulator to modulate homophilic dimerization of TIM family members, wherein a potential modulator that inhibits the dimerization of TIM family members is identified as a modulator of homophilic interaction of TIM family members.

2, A method for identifying and/or refining a modulator of HAVCR1/TIM1 interaction with immunoglobulin IgA comprising: a. providing the atomic co-ordinates of HAVCRl /TIMl , thereby defining a three-dimensional structure of HAVCRl /TIMl ; b. using said three dimensional structure of HAVCR1/TIM1 to design, refine, or select a potential modulator by computer modeling a structure that contacts said three dimensional structure of HAVCRl /TIMl ; c. providing said potential modulator; and d) physically contacting said potential modulator with HAVCR1/TIM1 protein to determine the ability of said potential modulator to modulate binding of IgA to HAVCRl /TIMl, wherein a potential modulator that inhibits the binding of IgA to HAVCRl /TIMl is identified as a modulator of interaction of HAVCRl /TIMl with IgA.

3. A method for identifying and/or refining a modulator of HAVCR1/TIM1 interaction with hepatitis A virus (HAV) comprising: a. providing the atomic co-ordinates of HAVCRl /TIMl, thereby defining a three-dimensional structure of HA VCRl /TIMl ; b. using said three dimensional structure of HAVCR1/TIM1 to design, refine, or select a potential modulator by computer modeling a structure that contacts said three dimensional structure of HA VCRl /TIMl ; c. providing said potential modulator; and d. physically contacting said potential modulator with HAVCR1/TIM1 protein to determine the ability of said potential modulator to modulate binding of HAV to HAVCRl /TIMl and prevent HAV infection, wherein a potential modulator that inhibits the binding of HAV to HAVCRl /TIMl is identified as a modulator of interaction of HAVCR1/TIM1 with HAV.

4. A method for identifying and/or refining modulators of a heterophilic interaction of a TIM family member, comprising: a. providing the atomic co-ordinates of the TIM family monomer, thereby defining a three-dimensional structure of the TIM family member; b. using said three dimensional structure of the TIM family member to design, refine, or select a potential modulator by computer modeling a structure that contacts the surfaces defined in three dimensional structure of said TIM family member; c. providing said potential modulator; and d. physically contacting said potential modulator with the TIM family member protein to determine the ability of said potential modulator to modulate heterophilic interactions of the TIM family member with a heterophilic interacting partner, wherein a potential modulator that inhibits a heterophilic interactions of the TIM family member is identified as a modulator of a heterophilic interaction of the TIM family member.

5. The method of claim 1 to 4 wherein the surface defined by the three- dimensional structure of the TIM family member is one or more of:

a) Area 1 defined by CC and FG loops,b) Area 2 defined by BC and FG loops,c) Area 3 defined by the BED B-sheet and adjacent loops,

d) Area 4 a long channel defined by the b-strand A at the bottom, the b-strand G at one side, and the b-barrel edge at the other side and defined at the top by the BC and FG loops, and

e) Area 5 defined by the CC" loop.

7. A method for making mutations in a TIM family member comprising i) selecting a portion of the IgV region of a TIM family member protein that is involved in homophilic, heterophilic or ligand binding as desired, ii) performing site-directed mutation of DNA encoding the IgV region of the

TIM family member to obtain a mutated DNA encoding the IgV region of the TIM family member, and iii) expressing the mutated DNA in a host cell to obtain the mutated TIM family member protein.

8. The method of claim 6 to obtain mutant proteins that affect homophilic interactions, in which one or more of the following IgV portion of the TIM proteins is selected: a. Area 1 : defined by CC and FG loops; b. Area 2: defined by BC and FG loops; c. Area 3: defined by the BED B-sheet and adjacent loops; d. Area 4: the channel defined by the β-strand A at the bottom, the β-strand G at one side, and the β-barrel edge at the other side.

9. The method of claim 6 to obtain mutant proteins that affect heterophilic interactions and/or ligand binding, whrerein one or more of the following IgV portion of the TIM proteins is selected: a) Area 1 : defined by CC and FG loops; b) Area 2: defined by BC and FG loops; c) Area 3: defined by the BED B-sheet and adjacent loops; d) Area 4: the channel defined by the β-strand A at the bottom, the β-strand G at one side, and the β-barrel edge at the other side; e) Area 5: defined by the CC" loop.

10. The method of any one of claims 7, 8 and 9 further comprising testing the homophilic and/or heterophilic interactions among TIM family member protein and/or the binding of said TIM family member protein to ligands.

45

Appendix I - PDB files

tim 1

REMARK coordinates from minimization refinement REMARK refinement resolution: 15 - 2.5 A REMARK starting r= 0.2310 free_r= 0.2849 REMARK final r= 0.2322 free_r= 0.2879 REMARK rmsd bonds= 0.007385 rmsd angles= 1.72994 REMARK wa= 2.95957 REMARK target= mlf cycles= 1 steps= 30 REMARK sg= P2 (1)2 (1)2 (1) a= 44.49 b= 55.74 C= 75.53 alpha= 90 beta= 90 gamma= 90

REMARK parameter file 1 : CNS_TOPPAR:protein_rep .param

REMARK parameter file 2 : CNS_TOPPAR : water_rep .param

REMARK molecular structure file: generate. mtf

REMARK input coordinates: generate. pdb

REMARK reflection file= ../tlx3.cv

REMARK ncs= none

REMARK B-correction resolution: 6 - 2.5

REMARK initial B-factor correction applied to fobs :

REMARK BIl= 14.693 B22= -27.991 B33= 13.298

REMARK B12= 0.000 B13= 0.000 B23= 0.000

REMARK B-factor correction applied to coordinate array B: -0.273

REMARK bulk solvent: density level= 0.384144 e/A^A3, B-factor= 33.2332

A^A2

REMARK reflections with | Fobs | /sigma_F < 0 rejected

REMARK reflections with | Fobs | > 10000 * rms(Fobs) rejected

REMARK theoretical total number of ref1. in resol . range: 6851 (

100.0 % )

REMARK number of unobserved reflections (no entry or |F| =0) : 12 (

0.2 % )

REMARK number of reflections rejected: 0 (

0.0 % )

REMARK total number of reflections used: 6839 (

99.8 % )

REMARK number of reflections in working set: 6138 (

89.6 % )

REMARK number of reflections in test set: 701 (

10.2 % )

CRYSTl 44.490 55.740 75.530 90.00 90.00 90.00 P 21 21 21

REMARK FILENAME= "mini .pdb"

REMARK DATE:

REMARK VERSION: 1.0

ATOM 1 CB MET A 1 -7.659 31.952 20.346 1.00 70.73

A

ATOM 2 CG MET A 1 -6.398 31.090 20.470 1.00 72.96

A

ATOM 3 SD MET A 1 -6.715 29.309 20.407 1.00 75.73

A

ATOM 4 CE MET A 1 -6.854 28.922 22.162 1.00 75.07

A

ATOM 5 C MET A 1 -6.960 32.596 18.063 1.00 68.12

A 46

ATOM 6 O MET A 1 -7 .247 31 .460 17 .675 1 .00 69 .82

A

ATOM 7 N MET A 1 -8 .782 33 .859 19 .213 1 .00 68 .42

A

ATOM 8 CA MET A 1 -7 .498 33 .129 19 .380 1 .00 68 .79

A

ATOM 9 N ASP A 2 -6 .191 33 .421 17 .366 1 .00 67 .14

A

ATOM 10 CA ASP A 2 -5 .579 32 .996 16 .117 1 .00 65 .29

A

ATOM 11 CB ASP A 2 -5 .381 34 .193 15 .185 1 .00 66 .17

A

ATOM 12 CG ASP A 2 -6 .162 34 .056 13 .895 1 .00 67 .30

A

ATOM 13 ODl ASP A 2 -7 .325 33 .602 13 .947 1 .00 67 .26

A

ATOM 14 OD2 ASP A 2 -5 .620 34 .408 12 .828 1 .00 68 .12

A

ATOM 15 C ASP A 2 -4 .238 32 .427 16 .562 1 .00 63 .53

A

ATOM 16 O ASP A 2 -3 .297 33 .176 16 .834 1 .00 63 .91

A

ATOM 17 N SER A 3 -4 .153 31 .103 16 .656 1 .00 59 .79

A

ATOM 18 CA SER A 3 -2 .919 30 .481 17 .116 1. .00 55 .79

A

ATOM 19 CB SER A 3 -2. .957 30 .394 18. .645 1 , .00 56, .61

A

ATOM 20 OG SER A 3 -1. .708 30. .003 19. .182 1. .00 56. , 64

A

ATOM 21 C SER A 3 -2. ,688 29. , 093 16. .524 1. 00 52. ,28

A

ATOM 22 O SER A 3 -3. 638 28. .416 16. .126 1. 00 52. 21

A

ATOM 23 N TYR A 4 -1. 425 28. 678 16. 440 1. 00 48. 26

A

ATOM 24 CA TYR A 4 -1. 131 27. 346 15. 927 1. 00 44. 50

A

ATOM 25 CB TYR A 4 -0. 363 27. 336 14. 609 1. 00 47. 50

A

ATOM 26 CG TYR A 4 323 28. 570 13. 763 1. 00 49. 69

A

ATOM 27 CDl TYR A 4 •1. 441 28. 997 13. 050 1. 00 50. 40

A

ATOM 28 CEl TYR A 4 346 30. 034 12. 130 1. 00 51. 03

A

ATOM 29 CD2 TYR A 4 0. 887 29. 225 13. 550 1. 00 49. 95

A

ATOM 30 CE2 TYR A 4 0. 993 30. 256 12. 639 1. 00 50. 47

A

ATOM 31 CZ TYR A 4 0. 124 30. 654 11. 925 1. 00 51. 10

A

ATOM 32 OH TYR A 4 004 31. 638 10. 970 1. 00 51. 41

A

ATOM 33 C TYR A 4 0. 270 26. 541 16. 869 1. 00 40. 53

A 47

ATOM 34 O TYR A 4 0 .358 27 .066 17 .783 1 .00 41 .27

A

ATOM 35 N VAL A 5 -0 .219 25 .251 16 .580 1 .00 36 . OS

A

ATOM 36 CA VAL A 5 0 .576 24 .304 17 .326 1 .00 32 .42

A

ATOM 37 CB VAL A 5 0 .130 22 .871 17 .005 1 .00 31 .50

A

ATOM 38 CGl VAL A 5 1 .106 21 .878 17 .587 1 .00 30 .64

A

ATOM 39 CG2 VAL A 5 -1 .271 22 .635 17 .535 1 .00 30 .04

A

ATOM 40 C VAL A 5 2 .028 24 .458 16 .897 1 .00 31 .09

A

ATOM 41 O VAL A 5 2 .333 24 .392 15 .710 1 .00 31 .68

A

ATOM 42 N GLU A 6 2 .920 24 .684 17 .856 1 .00 29 .65

A

ATOM 43 CA GLU A 6 4 .344 24 .797 17 .560 1 .00 27 .67

A

ATOM 44 CB GLU A 6 5 .060 25 .699 18 .568 1 .00 30 .31

A

ATOM 45 CG GLU A 6 4 .873 27 .184 18 .388 1 .00 34 .94

A

ATOM 46 CD GLU A 6 5 .784 27 .976 19 .316 1 .00 39 .01

A

ATOM 47 OEl GLU A 6 7 .022 27 .789 19 .244 1, .00 39 .91

A

ATOM 48 OE2 GLU A 6 5 .265 28. .781 20 .120 1 , .00 41 .53

A

ATOM 49 C GLU A 6 4 .940 23. .402 17 .682 1. .00 25 .06

A

ATOM 50 O GLU A 6 4 .654 22. .682 18 .644 1. ,00 22 .46

A

ATOM 51 N VAL A 7 5 .770 23. , 029 16 .712 1. 00 22 .08

A

ATOM 52 CA VAL A 7 6 .434 21. , 734 16 .722 1. 00 18 .54

A

ATOM 53 CB VAL A 7 5 .825 20. .786 15 .671 1. 00 17 .23

A

ATOM 54 CGl VAL A 7 6 .458 19. 404 15 .775 1. 00 15 .80

A

ATOM 55 CG2 VAL A 7 4 .335 20. 696 15 .871 1. 00 17 .66

A

ATOM 56 C VAL A 7 7 .923 21. 927 16 .426 1. 00 18 .37

A

ATOM 57 O VAL A 7 8 .299 22. 680 15 .526 1. 00 17 .42

A

ATOM 58 N LYS A 8 8 .767 21. 246 17 .192 1. 00 17 .28

A

ATOM 59 CA LYS A 8 10 .205 21. 346 17 .013 1. 00 18 .43

A

ATOM 60 CB LYS A 8 10 .835 22. 009 18 .239 1. 00 18 .13

A

ATOM 61 CG LYS A 8 10 .458 23. 474 18 .345 1. 00 21 .37

A 48

ATOM 62 CD LYS A 8 10 .687 24 .052 19 .726 1, .00 23 .09

A.

ATOM 63 CE LYS A 8 10 .294 25 .531 19 .769 1. .00 25 .39

A

ATOM 64 NZ LYS A 8 8 .877 25 .768 19 .350 1. .00 26 .68

A

ATOM 65 C LYS A 8 10 .845 19 .990 16 .752 1. 00 19 .05

ATOM 66 O LYS A 8 10 .656 19 .041 17 .512 1. 00 19 .67

A

ATOM 67 N GLY A 9 11 .583 19 .912 15 .649 1. 00 19 .99

A

ATOM 68 CA GLY A 9 12 .277 18 .694 15 .276 1. 00 20 .42

A

ATOM 69 C GLY A 9 13 .742 19 .003 15 .013 1. 00 21 .26

A

ATOM 70 O GLY A 9 14 .096 20 .148 14 .711 1. 00 20 .80

A

ATOM 71 N VAL A 10 14 .606 18 .000 15 .135 1. 00 21 .23

A ATOM 72 CA VAL A 10 16 .024 18 .217 14 .894 1. 00 23 .12

A

ATOM 73 CB VAL A 10 16 .863 17 .804 16 .120 1. 00 23 .36

A

ATOM 74 CGl VAL A 10 16 .445 18 .627 17 , .336 1. 00 24. .34

A

ATOM 75 CG2 VAL A 10 16 .665 16, .345 16. .409 1. 00 23. , 16

A

ATOM 76 C VAL A 10 16 .458 17. ,427 13. .666 1. 00 23. .51

A

ATOM 77 O VAL A 10 16, .109 16. .255 13. 515 1. 00 25. 83

A

ATOM 78 N VAL A 11 17. .211 18. 089 12. 791 1. 00 22. 37

A

ATOM 79 CA VAL A 11 17. ,703 17. 501 11. 547 1. 00 21. 31

A ATOM 80 CB VAL A 11 18. 858 18. 336 10. 972 1. 00 20. 43

A

ATOM 81 CGl VAL A 11 19. 375 17. 701 9. 690 1. 00 18. 57

A

ATOM 82 CG2 VAL A 11 18. 385 19. 759 10. 713 1. 00 18. 35

A

ATOM 83 C VAL A 11 18. 174 16. 057 11. 659 1. 00 23. 36

A

ATOM 84 O VAL A 11 18. 816 15. 670 12. 641 1. 00 25. 66

A

ATOM 85 N GLY A 12 17. 849 15. 261 10. 644 1. 00 22. 98

A

ATOM 86 CA GLY A 12 18. 266 13. 870 10. 635 1. 00 24. 39

A

ATOM 87 C GLY A 12 17. 364 12. 951 11. 429 1. 00 25. 52

A

ATOM 88 O GLY A 12 17. 493 11. 732 11. 353 1. 00 25. 92 A ATOM 89 N HIS A 13 16. 457 13. 541 12. 199 1. 00 26. 33

A 49

ATOM 90 CA HIS A 13 15. 511 12 .780 13 .010 1 .00 27 .22

A

ATOM 91 CB HIS A 13 15. 548 13 .259 14 .467 1 .00 30 .37

A

ATOM 92 CG HIS A 13 16. 875 13 .074 15 .143 1 .00 33 .30

A

ATOM 93 CD2 HIS A 13 17. 961 13 .883 15 .213 1 .00 33 .09

A

ATOM 94 NDl HIS A 13 17. 186 11 .950 15 .876 1 .00 33 .31

A

ATOM 95 CEl HIS A 13 18. 406 12 .074 16 .372 1 .00 34 .20

A

ATOM 96 NE2 HIS A 13 18. 897 13 .237 15 .985 1 .00 34 .53 A ATOM 97 C HIS A 13 14. 111 13 .024 12 .450 1 .00 26 .55

A

ATOM 98 O HIS A 13 13. 840 14 .078 11 .878 1 .00 26 .51

A

ATOM 99 N PRO A 14 13. 208 12 .042 12 .588 1 .00 25 .86

A

ATOM 100 CD PRO A 14 13. 450 10 .637 12 .954 1 .00 26 .28

A

ATOM 101 CA PRO A 14 11. 844 12 .219 12 .080 1 .00 24 .26

A

ATOM 102 CB PRO A 14 11. 247 10 .818 12 .191 1. .00 25 .17

A ATOM 103 CG PRO A 14 12. 449 9 .915 12 .095 X _c .00 26, .06 A ATOM 104 C PRO A 14 11. 110 13 .208 12 .974 1. .00 22. .72

A

ATOM 105 O PRO A 14 11. 290 13 .192 14 .188 1. ,00 24. ,52

A

ATOM 106 N VAL A 15 10. 298 14 .079 12 .389 1. 00 20. ,81

A

ATOM 107 CA VAL A 15 9. 551 15 .039 13 .196 1. 00 18. 74

A

ATOM 108 CB VAL A 15 9. 874 16 .514 12 .790 1. 00 17. 37

A

ATOM 109 CGl VAL A 15 9. 404 16 .803 11 .376 1. 00 15. 43

A

ATOM 110 CG2 VAL A 15 9. 224 17 .472 13 .768 1. 00 15. 58

A

ATOM 111 C VAL A 15 8. 063 14 .746 13 .015 1. 00 18. 45

A

ATOM 112 O VAL A 15 7. 607 14 .506 11 .898 1. 00 17. 87

A

ATOM 113 N THR A 16 7. 306 14 .759 14 .109 1. 00 17. 18

A

ATOM 114 CA THR A 16 5. 883 14 .468 14 .026 1. 00 16. 75

A

ATOM 115 CB THR A 16 5. 517 13 .273 14 .916 1. 00 16. 15

ATOM 116 OGl THR A 16 6. 095 12 .080 14 .371 1. 00 17. 87

Ά ATOM 117 CG2 THR A 16 4. 018 13 .112 14 .992 1. 00 16. 49

A 50

ATOM 118 C THR A 16 4 .936 15 .608 14 .361 1 .00 16 .14

A

ATOM 119 O THR A 16 5 .136 16 .339 15 .325 1 .00 15 .93

A

ATOM 120 N LEU A 17 3 .904 15 .758 13 .537 1 .00 16 .12

A

ATOM 121 CA LEU A 17 2 .888 16 .776 13 .752 1 .00 16 .43

A

ATOM 122 CB LEU A 17 2 .553 17 .516 12 .447 1 .00 16 .36

A

ATOM 123 CG LEU A 17 3 .718 18 .067 11 .617 1 .00 17 .21

A

ATOM 124 CDl LEU A 17 3 .238 19 .253 10 .788 1 .00 13 .75

A

ATOM 125 CD2 LEU A 17 4 .843 18 .505 12 .527 1 .00 16 .56

A

ATOM 126 C LEU A 17 1 .664 16 .013 14 .259 1 .00 16 .41

A

ATOM 127 O LEU A 17 0 .980 15 .324 13 .489 1, .00 14 .44

A

ATOM 128 N PRO A 18 1 .389 16 .110 15 .571 1. .00 16 .71

A

ATOM 129 CD PRO A 18 2 .223 16 .782 16 .580 1, .00 16 .18

A

ATOM 130 CA PRO A 18 0 .252 35 .432 16 .209 1. .00 16 .48

A

ATOM 131 CB PRO A 18 0 .507 15 .641 17 , , 706 1. , 00 16 , .59

A

ATOM 132 CG PRO A 18 1 .995 15 .909 17. ,786 1. 00 17. ,51

A

ATOM 133 C PRO A 18 1. ,097 16 .000 15. 794 1. 00 15. ,62

A

ATOM 134 O PRO A 18 1 , ,374 17 .175 16. 013 1. 00 14. 75

A

ATOM 135 N CYS A 19 1. ,930 15 .166 15. 185 1. 00 15. 62

A

ATOM 136 CA CYS A 19 3. 258 15 .604 14. 781 1. 00 16. 62

A

ATOM 137 C CYS A 19 4. 223 14 .444 14. 951 1. 00 15. 98

A

ATOM 138 O CYS A 19 4. 050 13 .379 14. 353 1. 00 13. 89

A

ATOM 139 CB CYS A 19 3. 264 16 .085 13. 333 1. 00 18. 33

A

ATOM 140 SG CYS A 19 4. 833 16 .879 12. 858 1. 00 22. 73

A

ATOM 141 N THR A 20 5. 234 14 .654 15. 782 1. 00 14. 26

A

ATOM 142 CA THR A 20 6. 208 13 .615 16. 056 1. 00 14. 40

A

ATOM 143 CB THR A 20 5. 886 12 .901 17. 380 1. 00 15. 27

A

ATOM 144 OGl THR A 20 6. 061 13 .815 18. 465 1. 00 17. 00

A

ATOM 145 CG2 THR A 20 4. 442 12 .408 17. 388 1. 00 16. 24

A 51

ATOM 146 C THR A 20 -7 .616 14 .176 16 .150 1 .00 13 .17

A

ATOM 147 O THR A 20 -7 .812 15 .377 16 .337 1 .00 12 .35

A

ATOM 148 N TYR A 21 -8 .594 13 .288 16 .024 1 .00 13 .45

A

ATOM 149 CA TYR A 21 -9 .998 13 .667 16 .096 1 .00 14 .37

A

ATOM 150 CB TYR A 21 ^■10 .502 14 .066 14 .701 1 .00 14 .33

A

ATOM 151 CG TYR A 21 ^•10 .794 12 .897 13 .782 1 .00 14 .01

A

ATOM 152 CDl TYR A 21 •12 .070 12 .342 13 .725 1 .00 12 .61

A

ATOM 153 CEl TYR A 21 12 .350 11 .248 12 .909 1 .00 13 .26

A

ATOM 154 CD2 TYR A 21 -9 .793 12 .330 12 .995 1 .00 10 .97

A

ATOM 155 CE2 TYR A 21 10 .061 11 .227 12 .170 1 .00 12 .07

A

ATOM 156 CZ TYR A 21 11 .345 10 .691 12 .137 1 .00 13 .11

A

ATOM 157 OH TYR A 21 11 .631 9 .584 11 .362 1 .00 13 .28

A

ATOM 158 C TYR A 21 10 .766 12 .454 16 .621 1 .00 15 .00

A

ATOM 159 O TYR A 21 10 .333 11 .316 16 .437 1 .00 14. .76

A

ATOM 160 N SER A 22 11 .896 12 .691 17 .281 1, .00 16. ,47

A

ATOM 161 CA SER A 22 12 .689 11 .593 17 .823 1 .00 17. ,26

A

ATOM 162 CB SER A 22 13 .518 12 .075 19 .009 1. .00 17. 82

A

ATOM 163 OG SER A 22 14 .414 11 .057 19 .427 1. ,00 20. .81

A

ATOM 164 C SER A 22 13 .619 10 .972 16 .783 1. , 00 18. 13

A

ATOM 165 O SER A 22 14 .285 11 .681 16 .021 1. 00 18. 62

A

ATOM 166 N THR A 23 13 .674 9 .645 16 .762 1. 00 18. 22

A

ATOM 167 CA THR A 23 14 .529 8 .944 15 .816 1. 00 18. 85

A

ATOM 168 CB THR A 23 13 .845 7 .647 15 .293 1. 00 18. 49

A

ATOM 169 OGl THR A 23 13 .584 6 .753 16 .383 1. 00 17. 72

A

ATOM 170 CG2 THR A 23 12 .531 7 .984 14 .609 1. 00 16. 70

A

ATOM 171 C THR A 23 15 .871 8 .591 16 .458 1. 00 20. 10

A

ATOM 172 O THR A 23 16 .529 7 .633 16 .055 1. 00 20. 48

A

ATOM 173 N TYR A 24 16 .286 9 .376 17 .450 1. 00 21. 11

A 52

ATOM 174 CA TYR A 24 -17 .547 9 .115 18 .142 1 .00 22 .61

A ATOM 175 CB TYR A 24 -17 .750 10 .109 19 .283 1 .00 21 .20

I\

ATOM 176 CG TYR A 24 -18 .188 11 .490 18 .852 1 .00 21 .81

A

ATOM 177 CDl TYR A 24 -19 .452 11 .971 19 .186 1 .00 23 .11

A

ATOM 178 CEl TYR A 24 -19 .851 13 .264 18 .839 1 .00 23 .05

A

ATOM 179 CD2 TYR A 24 -17 .328 12 .334 18 .152 1 .00 21 .92

A ATOM 180 CE2 TYR A 24 -17 .718 13 .626 17 .801 1 .00 22 .45

A ATOM 181 CZ TYR A 24 -18 .980 14 .082 18 .151 1 .00 22 .29

A

ATOM 182 OH TYR A 24 -19 .363 15 .362 17 .836 1 .00 24 .96

A ATOM 183 C TYR A 24 -18 .742 9 .172 17 .199 1 .00 23 .81

A ATOM 184 O TYR A 24 -19 .814 8 .665 17 .519 1 .00 23 .44

A

ATOM 185 N ARG A 25 -18 .548 9 .800 16 .042 1 .00 25 .77

A

ATOM 186 CA ARG A 25 -19. .596 9 .925 15 .034 1 .00 26 .21

A ATOM 187 CB ARG A 25 -19. .813 11 .397 14 .672 1 .00 27. .46

A ATOM 188 CG ARG A 25 -20. 555 12 .200 15 .733 1. .00 29. ,47

A ATOM 189 CD ARG A 25 -22. ,064 12 .167 15 .505 1, .00 32. ,86

A

ATOM 190 NE ARG A 25 -22. 632 10 .829 15 .633 1. , 00 36. 46 A ATOM 191 CZ ARG A 25 -23. 714 10 .407 14 .977 1. 00 38. 95

A ATOM 192 NHl ARG A 25 -24. 351 11 .217 14 .136 1. 00 38. 85 A ATOM 193 NH2 ARG A 25 -24. 168 9 .172 15 .164 1. 00 39. 95

A

ATOM 194 C ARG A 25 -19. 153 9 .148 13 .807 1. 00 25. 81

A

ATOM 195 O ARG A 25 -19. 661 9 .356 12 .709 1. 00 26. 06

A ATOM 196 N GLY A 26 -18. 187 8 .258 14 .009 1. 00 25. 11 A ATOM 197 CA GLY A 26 -17. 685 7 .451 12 .915 1. 00 25. 29 A ATOM 198 C GLY A 26 -16. 497 8 .049 12 .187 1. 00 25. 39 A ATOM 199 O GLY A 26 -16. 229 9 .250 12 .278 1. 00 24. 43 A ATOM 200 N ILE A 27 -15. 797 7 .183 11 .457 1. 00 25. 26 A ATOM 201 CA ILE A 27 -14. 617 7 .524 10 .664 1. 00 25. 11 A 53

ATOM 202 CB ILE A 27 -14 .181 6 .283 9 .860 1 .00 26 .51

A

ATOM 203 CG2 ILE A 27 •14 .252 6 .545 8 .362 1 .00 27 .52

A

ATOM 204 CGl ILE A 27 -12 .789 5 .858 10 .299 1 .00 28 .55

A

ATOM 205 CDl ILE A 27 ^■12 .623 4 .354 10 .330 1 .00 30 .83

A

ATOM 206 C ILE A 27 ^■14 .840 8 .702 9 .713 1 .00 23 .76

A

ATOM 207 O ILE A 27 ^■15 .971 9 .132 9 .500 1 .00 23 .33

A

ATOM 208 N THR A 28 13 .761 9 .228 9 .141 1 .00 23 .27

A

ATOM 209 CA THR A 28 13 .889 10 .342 8 .209 1 .00 23 .17

A

ATOM 210 CB THR A 28 14 .436 11 .604 8 .920 1 .00 22 .46

A

ATOM 211 OGl THR A 28 14 .964 12 .505 7 .944 .00 22 .56

A

ATOM 212 CG2 THR A 28 13 .339 12 .310 9 .696 1 .00 21 .86

A

ATOM 213 C THR A 28 12 .566 10 .669 7 .514 1 .00 23 .54

A

ATOM 214 O THR A 28 11 .509 10 .178 7 .911 1, .00 25 .93

A

ATOM 215 N THR A 29 12 .634 11 .500 6 .476 1. .00 22 .71

A

ATOM 216 CA THR A 29 11 .459 ] 1 .872 5. .695 1. , 00 21 .98

A

ATOM 217 CB THR A 29 11 .862 12 .219 4. .253 1. 00 23 .15

A

ATOM 218 OGl THR A 29 12. .894 13. .213 4. .269 1. 00 25 .40

A

ATOM 219 CG2 THR A 29 12. .373 10 , .975 3. .538 1. 00 19. .63

A

ATOM 220 C THR A 29 10. 620 13. ,014 6. 254 1. 00 21. .62

A

ATOM 221 O THR A 29 11. 115 13. .881 6. 968 1. 00 23. .21

A

ATOM 222 N THR A 30 -9. 338 13. 002 5. 903 1. 00 21. 96

A

ATOM 223 CA THR A 30 -8. 381 14. 007 6. 356 1. 00 21. 39

A

ATOM 224 CB THR A 30 -7. 569 13. 487 7. 574 : . 00 19. 83

A

ATOM 225 OGl THR A 30 -8. 453 13. 182 8. 660 1. 00 20. 23

A

ATOM 226 CG2 THR A 30 -6. 553 14. 524 8. 024 1. 00 20. 86

A

ATOM 227 C THR A 30 -7. 373 14. 313 5. 252 1. 00 21. 29

A

ATOM 228 O THR A 30 -6. 964 13. 408 4. 522 1. 00 22. 25

A

ATOM 229 N CYS A 31 -6. 987 15. 581 5. 117 1. 00 21. 35

A 54

ATOM 230 CA CYS A 31 -5 .959 15 .949 4 .153 1 .00 22 .14

A

ATOM 231 C CYS A 31 -4 .904 16 .742 4 .905 1 .00 21 .32

A

ATOM 232 O CYS A 31 -5 .197 17 .360 5 .929 1 .00 20 .21

A

ATOM 233 CB CYS A 31 -6 .507 16 .792 2 .996 1 .00 24 .67

A

ATOM 234 SG CYS A 31 -7 .087 18 .467 3 .403 1 .00 29 .74

A

ATOM 235 N TRP A 32 -3 .671 16 .695 4 .416 1 .00 20 .45

A

ATOM 236 CA TRP A 32 — 2 .573 17 .435 5 .031 1 .00 20 .13

A

ATOM 237 CB TRP A 32 -1 .449 16 .497 5 .488 1 .00 19 .53

A

ATOM 238 CG TRP A 32 -1 .609 15 .926 6 .879 1 .00 18 .55

A

ATOM 239 CD2 TRP A 32 -1 .191 16 .544 8 .109 1 .00 17 .51

A

ATOM 240 CE2 TRP A 32 -1 .523 15 .660 9 .154 1 .00 17 .37

A

ATOM 241 CE3 TRP A 32 -0 .571 17 .761 8 .422 1 .00 17 .72

A

ATOM 242 CDl TRP A 32 -2 .162 14 .730 7 .220 1 .00 19 .56

A

ATOM 243 NEl TRP A 32 -2 .112 14 .565 8 .586 1 .00 18, ,37

A

ATOM 244 CZ2 TRP A 32 -1. .253 15 .940 10 .493 1 .00 15, .77

A

ATOM 245 CZ3 TRP A 32 -0 , .299 18 .051 9. .761 1. .00 17. ,49

A

ATOM 246 CH2 TRP A 32 -0. ,646 17. .133 10. .785 1. .00 16. 57

A

ATOM 247 C TRP A 32 -2. 023 18. .376 3. 975 1. 00 19. 32

A

ATOM 248 O TRP A 32 -1. 949 18. .020 2. 806 1. 00 19. 89

A

ATOM 249 N GLY A 33 -1. 642 19. 579 4. 371 1. 00 19. 28

A

ATOM 250 CA GLY A 33 114 20. 496 3. 388 1. 00 20. 37

A

ATOM 251 C GLY A 33 030 21. 398 3. 923 1. 00 21. 51

A

ATOM 252 O GLY A 33 0. 029 21. 660 5. 118 1. 00 21. 91

A

ATOM 253 N ARG A 34 0. 842 21. 866 3. 042 1. 00 22. 28

A

ATOM 254 CA ARG A 34 1. 892 22. 773 3. 463 1. 00 24. 08

A

ATOM 255 CB ARG A 34 3. 137 22. 600 2. 602 1. 00 25. 55

A

ATOM 256 CG ARG A 34 4. 308 23. 395 3. 114 1. 00 27. 38

A

ATOM 257 CD ARG A 34 5. 620 22. 746 2. 733 1. 00 28. 50

A 55

ATOM 258 NE ARG A 34 6 .734 23 .412 3 .396 1 .00 29 .99

A

ATOM 259 CZ ARG A 34 7 .963 22 .919 3 .462 1 .00 30 .53

A

ATOM 260 NHl ARG A 34 8 .239 21 .745 2 .901 1 .00 30 .57

A

ATOM 261 NH2 ARG A 34 8 .911 23 .597 4 .097 1 .00 29 .90

A

ATOM 262 C ARG A 34 1 .326 24 .180 3 .319 1 .00 24 .67

A

ATOM 263 O ARG A 34 0 .700 24 .512 2 .311 1 .00 23 .92

A

ATOM 264 N GLY A 35 1 .554 24 .998 4 .339 1 .00 26 .60

A

ATOM 265 CA GLY A 35 1 .030 26 .349 4 .355 1 .00 27 .20

A

ATOM 266 C GLY A 35 .127 26 .318 5 .334 1 .00 28 .76

A

ATOM 267 O GLY A 35 0 .577 25 .242 5 .739 1 .00 27 .33

A

ATOM 268 N GLN A 36 0 .611 27 .490 5 .718 1 .00 29 .73

A

ATOM 269 CA GLN A 36 1 .715 27 .601 6 .660 1 .00 31 .48

A

ATOM 270 CB GLN A 36 1 .870 29. .062 7 .056 1, .00 33 , .53

A

ATOM 271 CG GLN A 36 3 .073 29, .367 7 .904 1, , 00 37, .37

A

ATOM 272 CD GLN A 36 3 .096 30. ,816 8 .344 1. ,00 39, , 04

A

ATOM 273 OEl GLN A 36 4 .056 31. 269 8 .963 1. 00 40. ,62

A

ATOM 274 NE2 GLN A 36 2 .032 31. 550 8 .030 1. 00 39. 36

A

ATOM 275 C GLN A 36 3 .029 27. 071 6 .083 1. 00 31. 95

A

ATOM 276 O GLN A 36 3 .189 27. 034 4 .868 1. 00 31. 14

A

ATOM 277 N CYS A 37 3 .955 26. 658 6 .957 1. 00 33. 20

A

ATOM 278 CA CYS A 37 5 .263 26. 138 6 .531 1. 00 34. 54

A

ATOM 279 C CYS A 37 6 .130 27. 268 5 .973 1. 00 37. 04

A

ATOM 280 O CYS A 37 .395 28. 257 6 .664 1. 00 38. 17

A

ATOM 281 CB CYS A 37 6 .022 25. 510 7 .697 1. 00 33. 32

A

ATOM 282 SG CYS A 37 5 .485 23. 902 8 .375 1. 00 32. 57

A

ATOM 283 N PRO A 38 6 .606 27. 122 4 .725 1. 00 41. 57

A

ATOM 284 CD PRO A 38 6 .128 26. 101 3 .781 1. 00 42. 45

A

ATOM 285 CA PRO A 38 7 .446 28. 105 4 .026 1. 00 43. 03

A 56

ATOM 286 CB PRO A 38 -7 .215 27 .772 2 .547 1 .00 42 .51

A

ATOM 287 CG PRO A 38 - 5 .966 26 .914 2 , .536 1 .00 42 .61

A

ATOM 288 C PRO A 38 -8 .943 28 .128 4 , ,360 1 .00 44 .67

A

ATOM 289 O PRO A 38 -9 .354 28 .509 5. ,460 1 .00 45 .92

A

ATOM 290 N SER A 39 -9 .744 27 .734 3. 372 1 .00 46 .26

A

ATOM 291 CA SER A 39 ^■11 .205 27 .704 3. 470 1 .00 47 .31

A

ATOM 292 CB SER A 39 11 .830 28 .679 2. 470 1 .00 48 .65

A

ATOM 293 OG SER A 39 11 .077 29 .871 2. 356 1 .00 50 .79

A

ATOM 294 C SER A 39 11 .697 26 .315 3. 112 1 .00 46 .69

A

ATOM 295 O SER A 39 12 .444 25 .690 3. 863 1 .00 47 .46

A

ATOM 296 N SER A 40 11 .284 25 .867 1. 928 1 .00 45 .63

A

ATOM 297 CA SER A 40 11 .641 24 .556 1. 392 1, .00 44 .41

A

ATOM 298 CB SER A 40 12 .377 24 .717 0. 058 1. .00 44 .36

A

ATOM 299 OG SER A 40 12 .668 23 .452 -0. 512 1. , 00 45 .44

A

ATOM 300 C SER A 40 10 .415 23 .662 1. 181 1. ,00 43 , .63

A

ATOM 301 O SER A 40 -9 .490 24 .011 0. 443 1. 00 43. ,42

A

ATOM 302 N ALA A 41 10 .425 22. .504 1. 832 1. 00 42. ,60

A

ATOM 303 CA ALA A 41 -9 .340 21 , .536 1. 729 1. 00 41. 57

A

ATOM 304 CB ALA A 41 -9 .381 20. .856 0. 369 1. 00 41. 22

A

ATOM 305 C ALA A 41 -7 .946 22. 106 1. 989 1. 00 40. 68

A

ATOM 306 O ALA A 41 -7 .779 23. 275 2. 335 1. 00 40. 79

A

ATOM 307 N CYS A 42 -6 .948 21. 253 1. 806 1. 00 36. 79

A

ATOM 308 CA CYS A 42 -5 .555 21. 601 2. 035 1. 00 36. 67

A

ATOM 309 C CYS A 42 -4 .862 22. 248 0. 831 1. 00 37. 36

A

ATOM 310 O CYS A 42 -5 .048 21. 809 -0. 302 1. 00 38. 44

A

ATOM 311 CB CYS A 42 -4 .806 20. 329 2. 427 1. 00 34. 74

A

ATOM 312 SG CYS A 42 -5 .431 19. 532 3. 942 1. 00 33. 95

A

ATOM 313 N GLN A 43 -4 .068 23. 291 1. 074 1. 00 37. 96

A 57

ATOM 314 CA GLN A 43 -3 .328 23 .943 -0 .006 1 .00 38 .69

A

ATOM 315 CB GLN A 43 - 3 .315 25 .475 0 .168 1 .00 40 .29

A

ATOM 316 CG GLN A 43 -2 .293 26 .038 1 .140 1 .00 42 .91

A

ATOM 317 CD GLN A 43 -2 .328 27 .561 1 .190 1 .00 46 .36

A

ATOM 318 OEl GLN A 43 -2 .274 28 .235 0 .155 1 .00 46 .57

A

ATOM 319 NE2 GLN A 43 -2 .412 28 .110 2 .399 1 .00 48 .62

A

ATOM 320 C GLN A 43 -1 .909 23 .364 0 .025 1 .00 37 .65

A

ATOM 321 O GLN A 43 -1 .274 23 .314 1 .078 1 .00 38 .60

A

ATOM 322 N ASN A 44 .425 22 .920 -1 .132 1 .00 36 .05

A

ATOM 323 CA ASN A 44 -0 .108 22 .289 -1 .244 1 .00 34 .68

A

ATOM 324 CB ASN A 44 0 .976 23 .119 -0 .554 1 .00 35 .55

A

ATOM 325 CG ASN A 44 1 .149 24 .476 -1 .185 1 .00 37 .18

A

ATOM 326 ODl ASN A 44 1 .200 24 .599 -2 .408 1. .00 39 .13

A

ATOM 327 ND2 ASN A 44 1 .250 25 .508 -0. .355 1 .00 38 .27

A

ATOM 328 C ASN A 44 -0 .216 20 .922 -0. .581 1, .00 33 .01

A

ATOM 329 O ASN A 44 0 .675 20 .488 0. .151 1. .00 32 .84

A

ATOM 330 N THR A 45 -1 .331 20 .255 -0. 859 1. .00 29 .88

A

ATOM 331 CA THR A 45 -1 .635 18 .941 -0. 312 1. 00 26 .57

A

ATOM 332 CB THR A 45 -2 .734 18 .254 -1. 118 1. 00 26 .36

A

ATOM 333 OGl THR A 45 -3 .826 19 .163 -1. 309 1. 00 26 .72

A

ATOM 334 CG2 THR A 45 -3 .218 17 .009 -0. 383 1. 00 23 .95

A

ATOM 335 C THR A 45 -0 .467 17 .976 -0. 253 1. 00 24 .34

A

ATOM 336 O THR A 45 0 .255 17 .793 -1. 232 1. 00 24 .88

A

ATOM 337 N LEU A 46 .307 17 .343 0. 903 1. 00 21 .57

A

ATOM 338 CA LEU A 46 0 .749 16 .368 1. 110 1. 00 19 .42

A

ATOM 339 CB LEU A 46 1 .572 16 .725 2. 345 1. 00 20 .25

A

ATOM 340 CG LEU A 46 2 .254 18 .090 2. 382 1. 00 19 .06

A

ATOM 341 CDl LEU A 46 2 .918 18 .279 3. 739 1. 00 20 .79

A 58

ATOM 342 CD2 LEU A 46 3. .276 18 .191 1 .254 1 .00 21 .35

A

ATOM 343 C LEU A 46 0. ,130 14 .990 1 .310 1 .00 17 .63

A

ATOM 344 O LEU A 46 0. ,699 13 .979 0 .893 1 .00 16 .58

A

ATOM 345 N ILE A 47 -1. 044 14 .958 1 .937 1 .00 16 .35

A

ATOM 346 CA ILE A 47 -1. 727 13 .696 2 .220 1 .00 15 .91

A

ATOM 347 CB ILE A 47 -1. 362 13 .177 3 .649 1 .00 16 .07

A

ATOM 348 CG2 ILE A 47 -2. 121 11 .872 3 .966 1 .00 14 .80

A

ATOM 349 CGl ILE A 47 0. 146 12 .948 3 .762 1 .00 14 .01

A

ATOM 350 CDl ILE A 47 0. 631 11 .703 3 .058 1 .00 14 .89

A

ATOM 351 C ILE A 47 -3. 252 13 .777 2 .147 1 .00 16 .09

A

ATOM 352 O ILE A 47 -3. 846 14 .836 2 .339 1 .00 17 .11

A

ATOM 353 N TRP A 48 -3. 858 12 .626 1 .870 1 .00 15 .27

A

ATOM 354 CA TRP A 48 -5. 305 12, .446 1 .815 1. .00 15 .73

A

ATOM 355 CB TRP A 48 -5. 844 12 , , 557 0 .385 1. , 00 15. .69

A

ATOM 356 CG TRP A 48 -6. 425 13. .898 0 .030 1. .00 14. ,41

A

ATOM 357 CD2 TRP A 48 -7. 633 14. 476 0 , .543 1. 00 12. 52

A

ATOM 358 CE2 TRP A 48 -7. 792 15. 734 -0. .079 1. 00 12. 46

A

ATOM 359 CE3 TRP A 48 -8. 594 14. 054 1. .471 1. 00 12. 11

A

ATOM 360 CDl TRP A 48 -5. 916 14. 801 -0. 857 1. 00 12. 65

A

ATOM 361 NEl TRP A 48 -6. 731 15. 907 -0. 929 1. 00 12. 92

A

ATOM 362 CZ2 TRP A 48 -8. 877 16. 577 0. 193 1. 00 11. 56

A

ATOM 363 CZ3 TRP A 48 •9. 676 14. 897 1. 744 1. 00 13. 19

A

ATOM 364 CH2 TRP A 48 804 16. 145 1. 104 1. 00 11. 54

A

ATOM 365 C TRP A 48 590 11. 035 2. 325 1. 00 16. 96

A

ATOM 366 O TRP A 48 ^■4 . 897 10. 073 1. 961 1. 00 17. 16

A

ATOM 367 N THR A 49 594 10. 907 3. 183 1. 00 17. 18

A

ATOM 368 CA THR A 49 6. 962 9. 596 3. 688 1. 00 17. 70

A

ATOM 369 CB THR A 49 962 9. 548 5. 217 1. 00 18. 15

A 59

ATOM 370 OGl THR A 49 -7 .971 10 .436 5 .712 1 .00 19 .15

A

ATOM 371 CG2 THR A 49 -5 .602 9 .947 5 .771 1 .00 16 .28

A

ATOM 372 C THR A 49 -8 .380 9 .325 3 .225 1 .00 18 .27

A

ATOM 373 O THR A 49 -9 .110 10 .250 2 .871 1 .00 17 .42

A

ATOM 374 N ASN A 50 -8 .767 8 .055 3 .219 1 .00 19 .07

A

ATOM 375 CA ASN A 50 ^■10 .118 7 .693 2 .827 1 .00 18 .05

A

ATOM 376 CB ASN A 50 ^•10 .109 6 .459 1 .921 1 .00 16 .74

A

ATOM 377 CG ASN A 50 -9 .654 5 .198 2 .642 1 .00 17 .58

A

ATOM 378 ODl ASN A 50 -9 .205 5 .243 3 .787 1 .00 17 .04

A

ATOM 379 ND2 ASN A 50 -9 .768 4 .062 1 .963 1 .00 16 .55

A

ATOM 380 C ASN A 50 10 .879 7 .401 4 .112 1 .00 19 .68

A

ATOM 381 O ASN A 50 12 .097 7 .222 4 .104 1 .00 20 .68

A

ATOM 382 N GLY A 51 10 .149 7 .369 5 .222 1 .00 21 .06

A

ATOM 383 CA GLY A 51 10 .763 7 .090 6 .508 1 .00 22 .62

A

ATOM 384 C GLY A 51 10 .050 5 .964 7. .241 1, .00 23 .63

A

ATOM 385 O GLY A 51 -9. .985 5, .951 8. .475 1. .00 23. .44

A

ATOM 386 N HIS A 52 -9 , .511 5. .012 6. .485 1. .00 23. , 82

A

ATOM 387 CA HIS A 52 -8. .798 3. .897 7. 090 1. 00 25. .09

A

ATOM 388 CB HIS A 52 -9. 392 2. 560 6. 642 1. 00 24. 46

A

ATOM 389 CG HIS A 52 10. 838 2. 402 6. 976 1. 00 23. 75

A

ATOM 390 CD2 HIS A 52 11. 460 2. 125 8. 146 1. 00 23. 92

A

ATOM 391 NDl HIS A 52 11. 838 2. 542 6. 036 00 23. 72

A

ATOM 392 CEl HIS A 52 13. 011 2. 358 6. 613 1. 00 23. 54

A

ATOM 393 NE2 HIS A 52 12. 810 2. 103 7. 895 1. 00 25. 17

A

ATOM 394 C HIS A 52 -7. 318 3. 909 6. 748 1. 00 25. 57

A

ATOM 395 O HIS A 52 -6. 470 3. 560 7. 578 1. 00 26. 40

A

ATOM 396 N ARG A 53 -6. 997 4. 302 5. 524 1. 00 26. 01

A

ATOM 397 CA ARG A 53 -5. 604 4. 317 5. 103 1. 00 27. 69

A 60

ATOM 398 CB ARG A 53 -5 .281 3 .021 4 .367 1 .00 29 .16

A

ATOM 399 CG ARG A 53 -5 .920 2 .903 2 .999 1 .00 32 .45

A

ATOM 400 CD ARG A 53 -6 .498 1 .515 2 .763 1 .00 35 .79

A

ATOM 401 NE ARG A 53 -7 .764 1 .322 3 .469 1 .00 38 .83

A

ATOM 402 CZ ARG A 53 -8 .924 1 .085 2 .861 1 .00 39 .87

A

ATOM 403 NHl ARG A 53 p .973 1 .009 1 .535 1 .00 38 .72

A

ATOM 404 NH2 ARG A 53 10 .037 0 .932 3 .574 1 .00 40 .38

A

ATOM 405 C ARG A 53 — 5 .303 5 .503 4 .195 1 .00 27 .42

A

ATOM 406 O ARG A 53 -6 .212 6 .160 3 .671 1 .00 26 .80

A

ATOM 407 N VAL A 54 -4 .016 5 .785 4 .026 1 .00 25 .93

A

ATOM 408 CA VAL A 54 -3 .595 6 .881 3 .174 1 .00 25 .46

A

ATOM 409 CB VAL A 54 - 2 .074 7 .153 3 .336 1 .00 24 .00

A

ATOM 410 CGl VAL A 54 -1 .638 8 .310 2 .440 1 .00 19 .90

A

ATOM 411 CG2 VAL A 54 -1 .769 7 .474 4 .790 1 .00 23 .02

A

ATOM 412 C VAL A 54 .923 6 .495 1. .730 1 .00 25 .51

A

ATOM 413 O VAL A 54 -3. .683 5 .365 1 .306 1 , .00 25 .76

A

ATOM 414 N THR A 55 -4. .495 7. .435 0. .991 1. , 00 24 , .99

A

ATOM 415 CA THR A 55 -4. 867 7. .205 -0. , 396 1. .00 24 , .99

A

ATOM 416 CB THR A 55 -6. 350 7. ,502 -0. 610 1. 00 25. 98

A

ATOM 417 OGl THR A 55 -6. 624 8. 844 -0. 182 1. 00 26. 45

A

ATOM 418 CG2 THR A 55 -7. 207 6. 523 0. 181 1. 00 25. 70

A

ATOM 419 C THR A 55 -4. 064 8. 133 -1. 296 1. 00 25. 63

A

ATOM 420 O THR A 55 -4. 021 7. 948 -2. 520 1. 00 24. 07

A

ATOM 421 N TYR A 56 -3. 436 9. 132 -0. 675 1. 00 25. 62

A

ATOM 422 CA TYR A 56 -2. 630 10. 117 -1. 389 1. 00 24. 10

A

ATOM 423 CB TYR A 56 -3. 483 11. 330 -1. 759 1. 00 24. 87

A

ATOM 424 CG TYR A 56 -2. 717 12. 365 -2. 548 1. 00 24. 40

A

ATOM 425 CDl TYR A 56 -2. 740 12. 355 -3. 938 1. 00 24. 94

A 61

ATOM 426 CEl TYR A 56 -1 .977 13 .240 -4. , 676 1 .00 24 .03

A

ATOM 427 CD2 TYR A 56 -1 .906 13 .303 .909 1 .00 24 .08

A

ATOM 428 CE2 TYR A 56 -1 .131 14 .197 -2. 639 1 .00 24 .33

A

ATOM 429 CZ TYR A 56 -1 .174 14 .154 -4. 024 1 .00 25 .27

A

ATOM 430 OH TYR A 56 -0 .410 15 .015 -4. 771 1 .00 26 .01

A

ATOM 431 C TYR A 56 -1 .423 10 .618 -0. 596 1 .00 23 .81

A

ATOM 432 O TYR A 56 -1 .572 11 .176 0. 491 1 .00 23 .41

A

ATOM 433 N GLN A 57 -0 .226 10 .426 -1. 141 1 .00 24 .02

A

ATOM 434 CA GLN A 57 0 .974 10 .922 -0. 488 1 .00 24 .00

A

ATOM 435 CB GLN A 57 1 .703 9 .821 0. 296 1 .00 23 .91

A

ATOM 436 CG GLN A 57 2 .317 8 .701 -0. 502 1 .00 23 .65

A

ATOM 437 CD GLN A 57 3 .447 8 .018 0. 255 1 .00 23 .50

A

ATOM 438 OEl GLN A 57 3 .945 6 .972 -0. 159 1 .00 24 .97

A

ATOM 439 NE2 GLN A 57 3. .866 8 .616 1. 364 1 .00 23 .20

A

ATOM 440 C GLN A 57 1. , 901 11 .576 -1. 510 1 .00 24 .43

A

ATOM 441 O GLN A 57 2. ,414 10 .939 -2. 426 1 .00 24 .47

A

ATOM 442 N LYS A 58 2. 075 12 .879 328 1 .00 24 .50

A

ATOM 443 CA LYS A 58 2. 891 13 .737 -2. 170 1 .00 23 .43

A

ATOM 444 CB LYS A 58 2. 813 15 .161 -1. 622 1 .00 23 .82

A

ATOM 445 CG LYS A 58 3. 936 16 .064 -2. 072 1 .00 25 .18

A

ATOM 446 CD LYS A 58 3. 496 17 .104 ~ 3 092 1 .00 25 .29

A

ATOM 447 CE LYS A 58 2. 857 16 .474 -4. 305 1 .00 26 .68

A

ATOM 448 NZ LYS A 58 1. 496 15 .978 -3. 977 1 .00 29 .18

A

ATOM 449 C LYS A 58 4. 351 13 .314 ~ 2 280 1 .00 24 .46

A

ATOM 450 O LYS A 58 5. 054 13 .707 -3. 213 1 .00 24 .32

A

ATOM 451 N SER A 59 4. 810 12 .523 -1. 320 1 .00 24 .34

A

ATOM 452 CA SER A 59 6. 191 12 .056 -1. 303 1 .00 21 .97

A

ATOM 453 CB SER A 59 7. 125 13 .223 -0. 988 1 .00 22 .48

A 62

ATOM 454 OG SER A 59 8 .437 12 .768 -0 .706 1 .00 23 .71

A

ATOM 455 C SER A 59 6 .294 10 .988 -0 .222 1 .00 22 .27

A

ATOM 456 O SER A 59 5 .571 11 .048 0 .774 1 .00 22 .53

A

ATOM 457 N SER A 60 7 .187 10 .019 -0 .405 1 .00 21 .84

A

ATOM 458 CA SER A 60 7 .325 8 .938 0 .567 1 .00 22 .48

A

ATOM 459 CB SER A 60 8 .190 7 .813 -0 .006 1 .00 22 .88

A

ATOM 460 OG SER A 60 9 .518 8 .255 -0 .231 1 .00 25 .81

A

ATOM 461 C SER A 60 7 .890 9 .386 1 .913 1 .00 22 .79

A

ATOM 462 O SER A 60 7 .968 8 .592 2 .857 1 .00 22 .65

A

ATOM 463 N ARG A 61 8 .286 10 .649 2 .013 1 .00 21 .33

A

ATOM 464 CA ARG A 61 8 .815 11 .137 3 .275 1. .00 21 .43

A

ATOM 465 CB ARG A 61 9 .726 12 .342 3 .065 1. .00 22 .65

A

ATOM 466 CG ARG A 61 11 .137 12 .008 2 .607 1. .00 21 .92

A

ATOM 467 CD ARG A 61 12 .086 13 , .107 3 .053 1. , 00 21 .17

A

ATOM 468 NE ARG A 61 11 .576 14 , .414 2 .667 1. ,00 20 .20

A

ATOM 469 CZ ARG A 61 11 .651 15. .493 3 .432 1. 00 21 .39

A

ATOM 470 NHl ARG A 61 12 .220 15. 424 4 .632 1. 00 18 .79

A

ATOM 471 NH2 ARG A 61 11 .139 16. 640 3 .003 1. 00 21 .87

A

ATOM 472 C ARG A 61 7 .692 11. 535 4 .216 1. 00 21 .61

A

ATOM 473 O ARG A 61 7 .946 11. 903 5 .361 1. 00 21 .97

A

ATOM 474 N TYR A 62 6 .457 11. 466 3 .727 1. 00 21 .80

A

ATOM 475 CA TYR A 62 5 .282 11. 832 4 .518 1. 00 23 .04

A

ATOM 476 CB TYR A 62 4 .423 12. 831 3 .751 1. 00 23 .08

A

ATOM 477 CG TYR A 62 5 .140 14. 110 3 .409 1. 00 23 .98

A

ATOM 478 CDl TYR A 62 5 .281 14. 516 2 .086 1. 00 24 .10

A

ATOM 479 CEl TYR A 62 5 .889 15. 726 1 .764 1. 00 25 .68

A

ATOM 480 CD2 TYR A 62 5 .633 14. 942 4 .411 1. 00 24 .01

A

ATOM 481 CE2 TYR A 62 6 .240 16. 154 4 .104 1. 00 25 .82

A 63

ATOM 482 CZ TYR A 62 6 .362 16 .541 2 .779 1 .00 25 .76

A

ATOM 483 OH TYR A 62 6 .923 17 .755 2 .474 1 .00 25 .80

A

ATOM 484 C TYR A 62 4 .445 10 .611 4 .836 1 .00 23 .12

A

ATOM 485 O TYR A 62 3 .908 9 .977 3 .934 1 .00 22 .29

A

ATOM 486 N ASN A 63 4 .317 10 .291 6 .117 1 .00 23 .83

A

ATOM 487 CA ASN A 63 3 .547 9 .122 6 .506 1 .00 24 .83

A

ATOM 488 CB ASN A 63 4 .476 7 .921 6 .678 1 .00 27 .20

A

ATOM 489 CG ASN A 63 5 .298 7 .636 5 .441 1 .00 30 .59

A

ATOM 490 ODl ASN A 63 4 .755 7 .355 4 .369 1 .00 32 .11

A

ATOM 491 ND2 ASN A 63 6 .619 7 .708 5 .581 1 .00 31 .42

A

ATOM 492 C ASN A 63 2 .729 9 .281 7 .781 1 .00 24 .36

A

ATOM 493 O ASN A 63 3 .121 9 .977 8 .718 1 .00 22 .69

A

ATOM 494 N LEU A 64 1 .578 8 .622 7 .798 1 .00 24 .16

A

ATOM 495 CA LEU A 64 0 .709 8 .619 8 .957 1 .00 24 .03

A

ATOM 496 CB LEU A 64 0 .742 8 , .815 8 .524 1 .00 22. .74

A

ATOM 497 CG LEU A 64 1. .170 10. , 271 8 .276 1. .00 22. , 95

A

ATOM 498 CDl LEU A 64 0. ,243 10. 942 7. .284 1. .00 20. 92

A

ATOM 499 CD2 LEU A 64 2. 600 10. 303 7 , , 770 1. .00 21. 63

A

ATOM 500 C LEU A 64 0. 917 7. 241 9. 570 1. 00 24. 63

A

ATOM 501 O LEU A 64 0. 364 6. 262 9. 080 1. 00 26. 32

A

ATOM 502 N LYS A 65 1. 732 7. 162 10. 621 1. 00 25. 37

A

ATOM 503 CA LYS A 65 2. 026 5. 885 11. 267 1. 00 26. 38

A

ATOM 504 CB LYS A 65 3. 501 5. 815 11. 666 1. 00 27. 54

A

ATOM 505 CG LYS A 65 4. 429 5. 401 10. 533 1. 00 29. 81

A

ATOM 506 CD LYS A 65 5. 895 5. 529 10. 931 1. 00 31. 11

A

ATOM 507 CE LYS A 65 6. 188 6. 936 11. 425 1. 00 31. 75

A

ATOM 508 NZ LYS A 65 5. 480 7. 931 10. 566 1. 00 31. 92

A

ATOM 509 C LYS A 65 1. 182 5. 520 12. 476 1. 00 26. 50

A 64

ATOM 510 O LYS A 65 1 .471 4 .533 13. .148 1 .00 26 .54

A

ATOM 511 N GLY A 66 0 .148 6 .304 12. .761 1 .00 26 .52

A

ATOM 512 CA GLY A 66 -0 .701 5 .994 13. 898 1 .00 26 .53

A

ATOM 513 C GLY A 66 -1 .878 5 .159 13. 438 1 .00 26 .88

A

ATOM 514 O GLY A 66 -1 .954 4 .804 12. 260 1 .00 27 .76

A

ATOM 515 N HIS A 67 - 2 .791 4 .833 14. 348 1 .00 25 .83

A

ATOM 516 CA HIS A 67 -3 .966 4 .054 13. 976 1 .00 24 .67

A

ATOM 517 CB HIS A 67 -4 .537 3 .329 15. 198 1 .00 26 .42

A

ATOM 518 CG HIS A 67 -3 .569 2 .384 15. 844 1 .00 29 .19

A

ATOM 519 CD2 HIS A 67 -3 .263 1 .094 15. 566 1 .00 30 .01

A

ATOM 520 NDl HIS A 67 -2 .761 2 .748 16. 900 1 .00 29 .73

A

ATOM 521 CEl HIS A 67 -2. .000 1 .723 17. 245 1 .00 30 .36

A

ATOM 522 NE2 HIS A 67 -2 .284 0 .708 16. 451 1. .00 29 .81

A

ATOM 523 C HIS A 67 -5. .004 5 .003 13. 372 1. .00 23 .49

A

ATOM 524 O HIS A 67 -5. .863 5. .541 14. 075 1. .00 22 .93

A

ATOM 525 N ILE A 68 -4. , 905 5. .200 12. 059 1. .00 21 .97

A

ATOM 526 CA ILE A 68 -5. .789 6. .102 11. 316 1. 00 21 .72

A

ATOM 527 CB ILE A 68 -5. 487 6. , 027 9. 801 1. 00 20 .03

A

ATOM 528 CG2 ILE A 68 -6. 402 6. .967 9. 036 1. 00 21 .06

A

ATOM 529 CGl ILE A 68 -4. 022 6. 390 9. 554 1. 00 18 .91

A

ATOM 530 CDl ILE A 68 595 6. 286 8. 115 1. 00 18 .01

A

ATOM 531 C ILE A 68 292 5. 898 11. 526 1. 00 22 .05

A

ATOM 532 O ILE A 68 042 6. 868 11. 648 1. 00 21 .83

A

ATOM 533 N SER A 69 ^•7. 737 4. 647 11. 558 1. 00 22 .94

A

ATOM 534 CA SER A 69 155 4. 376 11. 748 1. 00 23 .77

A

ATOM 535 CB SER A 69 9. 486 2. 928 11. 366 1. 00 22 .22

A

ATOM 536 OG SER A 69 8. 793 2. 005 12. 182 1. 00 25 .31

A

ATOM 537 C SER A 69 9. 584 4. 650 13. 187 1. 00 24 .34

A 65

ATOM 538 O SER A 69 10 .773 4 .735 13 .478 1 .00 25. ,83

A

ATOM 539 N GLU A 70 -8 .620 4 .789 14 .088 1 .00 24. 50

A

ATOM 540 CA GLU A 70 -8 .942 5 .070 15 .480 1 .00 25. 09

A

ATOM 541 CB GLU A 70 -7 .862 4 .510 16 .410 1 .00 27. 82

A

ATOM 542 CG GLU A 70 -7 .710 2 .998 16 .353 1 .00 34. 43

A

ATOM 543 CD GLU A 70 -9 .016 2 .259 16 .627 1 .00 38. 89

A

ATOM 544 OEl GLU A 70 -9 .938 2 .322 15 .779 1 .00 40. 83

A

ATOM 545 OE2 GLU A 70 -9 .120 1 .616 17 .696 1 .00 41. 40

A

ATOM 546 C GLU A 70 -9 .069 6 .575 15 .696 1 .00 24. 45

A

ATOM 547 O GLU A 70 -9 .654 7 .018 16 .683 1 .00 25. 53

A

ATOM 548 N GLY A 71 -8 .516 7 .357 14 .770 1 .00 22. 76

A

ATOM 549 CA GLY A 71 -8 .581 8 .803 14 .882 1 .00 18. 98

A

ATOM 550 C GLY A 71 -7. .226 9 .492 14 .915 1 .00 17. 60

A

ATOM 551 O GLY A 71 "7. .151 10 .721 14 .931 1 .00 16. 26

A

ATOM 552 N ASP A 72 -6. .147 8 .718 14 .924 1 .00 16. 78

A

ATOM 553 CA ASP A 72 -4. , 808 9 .306 14 .957 1 .00 18. 13

A

ATOM 554 CB ASP A 72 -3. .830 8 .356 15 .656 1 .00 19. 55

A

ATOM 555 CG ASP A 72 -2. 511 9 .032 16 .019 1 .00 21. 13

A

ATOM 556 ODl ASP A 72 -2. 097 9 .978 15 .307 1 .00 22. 03

A

ATOM 557 OD2 ASP A 72 -1. 883 8 .605 17 .015 1 .00 21. 76

A

ATOM 558 C ASP A 72 -4. 316 9 .579 13 .536 1 .00 16. 77

A

ATOM 559 O ASP A 72 -3. 870 8 .653 12 .848 1 .00 16. 53

A

ATOM 560 N VAL A 73 -4. 392 10 .839 13 .101 1 .00 15. 24

A

ATOM 561 CA VAL A 73 -3. 957 11 .208 11 .752 1 .00 13. 96

A

ATOM 562 CB VAL A ^■ 73 -5. 055 12 .004 10 .995 1 .00 13. 40

A

ATOM 563 CGl VAL A 73 -6. 233 11 .108 10 .696 1 .00 13. 72

A

ATOM 564 CG2 VAL A 73 -5. 508 13 .202 11 .819 1 .00 13. 45

A

ATOM 565 C VAL A 73 -2. 671 12 .033 11 .739 1 .00 14. 56

A 66

ATOM 566 O VAL A 73 -2 .461 12 .854 10 .841 1 .00 14 .44

A

ATOM 567 N SER A 74 ~ 1 .810 11 .802 12 .725 1 .00 13 .35

A

ATOM 568 CA SER A 74 -0 .549 12 .531 12 .841 1 .00 13 .45

A

ATOM 569 CB SER A 74 0 .140 12 .164 14 .155 1 .00 13 .98

A

ATOM 570 OG SER A 74 -0 .692 12 .483 15 .256 1 .00 17 .47

A

ATOM 571 C SER A 74 0 .432 12 .335 11 .680 1 .00 12 .63

A

ATOM 572 O SER A 74 0 .718 11 .218 11 .256 1 .00 11 .48

A

ATOM 573 N LEU A 75 0 .955 13 .444 11 .178 1 .00 12 .33

A

ATOM 574 CA LEU A 75 1 .899 13 .407 10 .074 1 .00 12 .88

A

ATOM 575 CB LEU A 75 1 .803 14 .700 9 .256 1 .00 12 .18

A

ATOM 576 CG LEU A 75 2 .811 14 .865 8 .114 1 .00 13 .78

A

ATOM 577 CDl LEU A 75 2 .588 13 .782 7 .057 1 .00 11 .96

A

ATOM 578 CD2 LEU A 75 2 .667 16 .253 7 .509 1 .00 14 .84

A

ATOM 579 C LEU A 75 3 .332 13 .234 10 .557 1 .00 14 .20

A

ATOM 580 O LEU A 75 3. .768 13 .894 11 .500 1, .00 13 .66

A

ATOM 581 N THR A 76 4. , 068 12 .346 9, .908 1 , , 00 16, .31

A

ATOM 582 CA THR A 76 5. ,455 12 .138 10. , 272 1. ,00 18 , , 86

A

ATOM 583 CB THR A 76 5. 704 10. .724 10. 825 1. 00 19. ,09

A

ATOM 584 OGl THR A 76 5. 071 10. ,591 12. 103 1. 00 20. 05

A

ATOM 585 CG2 THR A 76 7. 200 10. 465 10. 974 1. 00 17. 22

A

ATOM 586 C THR A 76 6. 336 12. 340 9. 054 1. 00 20. 58

A

ATOM 587 O THR A 76 6. 253 11. 578 8. 088 1. 00 21. 56

A

ATOM 588 N ILE A 77 7. 168 13. 377 9. 107 1. 00 21. 00

A

ATOM 589 CA ILE A 77 8. 096 13. 694 8. 030 1. 00 21. 47

A

ATOM 590 CB ILE A 77 8. 346 15. 208 7. 948 1. 00 18. 97

A

ATOM 591 CG2 ILE A 77 9. 250 15. 520 6. 783 1. 00 18. 04

A

ATOM 592 CGl ILE A 77 7. 023 15. 945 7. 780 1. 00 15. 84

A

ATOM 593 CDl ILE A 77 7. 154 17. 441 7. 867 1. 00 14. 70

A 67

ATOM 594 C ILE A 77 9 .415 12 .990 8 .343 1 .00 24 .39

A

ATOM 595 O ILE A 77 10 .122 13 .368 9 .279 1 .00 25 .29

A

ATOM 596 N GLU A 78 9 .740 11 .963 7 .564 1 .00 26 .95

A

ATOM 597 CA GLU A 78 10 .967 11 .196 7 .769 1 .00 29 .26

A

ATOM 598 CB GLU A 78 10 .989 9 .985 6 .829 1 .00 31 .28

A

ATOM 599 CG GLU A 78 9 .722 9 .125 6 .838 1 .00 35 .58

A

ATOM 600 CD GLU A 78 9 .340 8 .618 8 .228 1 .00 39 .51

A

ATOM 601 OEl GLU A 78 10 .249 8 .337 9 .040 1 .00 40 .24

A

ATOM 602 OE2 GLU A 78 8 .124 .482 8 .504 1 .00 40 .39

A

ATOM 603 C GLU A 78 12 .223 12 .038 7 .533 1 .00 29 .32

A

ATOM 604 O GLU A 78 12 .268 12 .840 6 .603 1 .00 31 .01

A

ATOM 605 N ASN A 79 13 .244 11 .840 8 .366 1 .00 28 .05

A

ATOM 606 CA ASN A 79 14 .504 12 .578 8 .250 1 .00 27 .54

A

ATOM 607 CB ASN A 79 15. .402 11 .956 7 .173 1 .00 30, .27

A

ATOM 608 CG ASN A 79 15. .819 10. .529 7 .499 1 .00 32. ,57

A

ATOM 609 ODl ASN A 79 15. .002 9. .610 7. .479 1. .00 35. 33

A

ATOM 610 ND2 ASN A 79 17. 098 10. .341 7. .803 1. , 00 34. 19

A

ATOM 611 C ASN A 79 14. 275 14. 048 7. ,907 1. ,00 26. 12

A

ATOM 612 O ASN A 79 14. 445 14. 456 6. 759 1. 00 26. 81

A

ATOM 613 N SER A 80 13. 908 14. 849 8. 901 1. 00 24. 65

A

ATOM 614 CA SER A 80 13. 644 16. 260 8. 656 1. 00 22. 88

A

ATOM 615 CB SER A 80 12. 919 16. 882 9. 847 1. 00 22. 47

A

ATOM 616 OG SER A 80 13. 748 16. 896 10. 991 1. 00 20. 78

A

ATOM 617 C SER A 80 14. 896 17. 064 8. 365 1. 00 21. 80

A

ATOM 618 O SER A 80 16. 006 16. 662 8. 703 1. 00 22. 19

A

ATOM 619 N VAL A 81 14. 695 18. 212 7. 732 1. 00 20. 16

A

ATOM 620 CA VAL A 81 15. 783 19. 113 7. 390 1. 00 19. 39

A

ATOM 621 CB VAL A 81 16. 259 18. 902 5. 942 1. 00 18. 60

A 68

ATOM 622 CGl VAL A 81 16 .847 17 .514 5 .785 1 .00 19 .54

A

ATOM 623 CG2 VAL A 81 15 .096 19 .110 4 .973 1 .00 19 .19

A

ATOM 624 C VAL A 81 15 .290 20 .549 7 .520 1 .00 19 .49

A

ATOM 625 O VAL A 81 14 .084 20 .802 7 .519 1 .00 19 .92

A

ATOM 626 N GLU A 82 16 .226 21 .484 7 .627 1 .00 18 .89

A

ATOM 627 CA GLU A 82 15 .884 22 .892 7 .738 1 .00 19 .80

A

ATOM 628 CB GLU A 82 17 .113 23 .753 7 .452 1 .00 21 .53

A

ATOM 629 CG GLU A 82 18 .296 23 .538 8 .408 1 .00 22 .89

A

ATOM 630 CD GLU A 82 19 .193 22 .361 8 .025 1 .00 23 .58

A

ATOM 631 OEl GLU A 82 20 .354 22 .331 8 .498 1 .00 23 .69

A

ATOM 632 OE2 GLU A 82 18. .748 21 .465 7 .267 1 .00 22 .66

A

ATOM 633 C GLU A 82 14 .771 23 .258 6 .760 1. .00 20 .31

A

ATOM 634 O GLU A 82 13. .902 24 .065 7 .082 1. .00 21 .20

A

ATOM 635 N SER A 83 14. ,794 22 .645 5 .577 1. .00 20 .89

A

ATOM 636 CA SER A 83 13. 802 22 .894 4. .524 1. ,00 21 .24

A

ATOM 637 CB SER A 83 14. 125 22 .059 3 , .284 1. 00 20 .91

A

ATOM 638 OG SER A 83 15. 395 22. .385 2. .766 1. 00 26, .51

A

ATOM 639 C SER A 83 12. 346 22 , .619 4. .905 1. 00 21, .30

A

ATOM 640 O SER A 83 11. 428 23. ,238 4. 359 1. 00 20. 40

A

ATOM 641 N ASP A 84 12. 132 21. 682 5. 820 1. 00 19. 46

A

ATOM 642 CA ASP A 84 10. 780 21. 346 6. 229 1. 00 18. 81

A

ATOM 643 CB ASP A 84 10. 111 20. 001 6. 959 1. 00 18. 18

A

ATOM 644 CG ASP A 84 11. 313 18. 874 6. 092 1. 00 18. 14

A

ATOM 645 ODl ASP A 84 10. 912 18. 789 4. 911 1. 00 18. 92

A

ATOM 646 OD2 ASP A 84 12. 131 18. 068 6. 586 1. 00 21. 39

A

ATOM 647 C ASP A 84 10. 110 22. 415 7. 094 1. 00 18. 43

A

ATOM 648 O ASP A 84 8. 882 22. 470 7. 172 1. 00 18. 55

A

ATOM 649 N SER A 85 10. 906 23. 265 7. 736 1. 00 17. 73

A 69

ATOM 650 CA SER A 85 10 .351 24 .316 8 .586 1 .00 18 .66

A

ATOM 651 CB SER A 85 11 .463 25 .245 9 .089 1 .00 19 .10

A

ATOM 652 OG SER A 85 12 .505 24 .512 9 .715 1 .00 19 .34

A

ATOM 653 C SER A 85 9 .318 25 .124 7 .799 1 .00 18 .58

A

ATOM 654 O SER A 85 9 .512 25 .412 6 .618 1 .00 19 .68

A

ATOM 655 N GLY A 86 8 .221 25 .480 8 .457 1 .00 17 .56

A

ATOM 656 CA GLY A 86 7 .175 26 .239 7 .803 1 .00 17 .11

A

ATOM 657 C GLY A 86 5 .831 25 .898 8 .414 1 .00 18 .49

A

ATOM 658 O GLY A 86 5 .771 25 .256 9 .464 1 .00 18 .23

A

ATOM 659 N LEU A 87 4 .750 26 .318 7 .763 1 .00 19 .84

A

ATOM 660 CA LEU A 87 3 .405 26 .049 8 .269 1 .00 20 .20

A

ATOM 661 CB LEU A 87 2 .461 27 .206 7 .936 1 .00 19 .81

A

ATOM 662 CG LEU A 87 2 .809 28 .591 8 .471 1 .00 20 .85

A

ATOM 663 CDl LEU A 87 1 .785 29 .601 7 .970 1 .00 20 .27

A

ATOM 664 CD2 LEU A 87 2, .835 28 .552 9 .998 1. .00 22 .45

A

ATOM 665 C LEU A 87 2. , 829 24 , .778 7 .669 1. .00 19, .96

A

ATOM 666 O LEU A 87 3. 061 24. ,475 6. .501 1. ,00 20. , 66

A

ATOM 667 N TYR A 88 2. 084 24. 033 8 , .478 1. 00 19. 64

A

ATOM 668 CA TYR A 88 1. 442 22. 818 8 , .009 1. 00 17. 82

A

ATOM 669 CB TYR A 88 2. 148 21. 579 8. .545 1. 00 15. 94

A

ATOM 670 CG TYR A 88 3. 504 21. 359 7. , 924 1. 00 13. 39

A

ATOM 671 CDl TYR A 88 4. 614 22. 070 361 1. 00 12. 59

A

ATOM 672 CEl TYR A 88 5. 856 21. 901 7. 759 1. 00 12. 57

A

ATOM 673 CD2 TYR A 88 3. 665 20. 466 6. 867 1. 00 13. 73

A

ATOM 674 CE2 TYR A 88 4. 907 20. 289 6. 253 1. 00 12. 32

A

ATOM 675 CZ TYR A 88 5. 995 21. 013 6. 703 1. 00 10. 58

A

ATOM 676 OH TYR A 88 7. 211 20. 876 6. 075 1. 00 9. 45

A

ATOM 677 C TYR A 88 0. 010 22. 838 8. 449 1. 00 18. 82

A 70

ATOM 678 O TYR A 88 -0 .339 23 .381 9 .512 1 .00 17 .09

A

ATOM 679 N CYS A 89 -0 .871 22 .249 7 .622 1 .00 18 .79

A

ATOM 680 CA CYS A 89 -2 .297 22 .224 7 .890 1 .00 18 .9.1

A

ATOM 681 C CYS A 89 -2 .890 20 .828 7 .928 1 .00 19 .76

A

ATOM 682 O CYS A 89 -2 .725 20 .045 6 .991 1 .00 19 .70

A

ATOM 683 CB CYS A 89 -3 .036 23 .058 6 .833 1 .00 21 .40

A

ATOM 684 SG CYS A 89 -4 .837 22 .785 6 .811 1 .00 26 .19

A

ATOM 685 N CYS A 90 -3 .575 20 .523 9 .028 1 .00 19 .42

A

ATOM 686 CA CYS A 90 -4 .245 19 .239 9 .196 1 .00 18 .65

A

ATOM 687 C CYS A 90 -5 .734 19 .543 9 .212 1 .00 17 .81

A

ATOM 688 O CYS A 90 -6 .228 20 .218 10 .116 1 .00 15 .66

A

ATOM 689 CB CYS A 90 -3 .848 18 .568 10 .510 1 .00 19 .22

A

ATOM 690 SG CYS A 90 -4 .713 16 .988 10 .826 1 .00 21 .06

A

ATOM 691 N ARG A 91 -6 .443 19 .047 8 .207 1 .00 17 .73

A

ATOM 692 CA ARG A 91 -7 .877 19 .283 8 .100 1 .00 17 .57

A

ATOM 693 CB ARG A 91 -8. .194 19 .922 6, .751 1 , .00 16 .71

A

ATOM 694 CG ARG A 91 -9. ,442 20, .753 6. .749 1, , 00 17, .39

A

ATOM 695 CD ARG A 91 10. 022 20, , 865 5. 356 1. 00 17. ,60

A

ATOM 696 NE ARG A 91 11. 137 21. 797 5. 354 1. 00 16. 80

A

ATOM 697 CZ ARG A 91 10. 998 23. 109 5. 236 1. 00 16. 04

A

ATOM 698 NHl ARG A 91 -9. 796 23. 640 5. 096 1. 00 16. 09

A

ATOM 699 NH2 ARG A 91 12. 058 23. 891 5. 289 1. 00 19. 55

A

ATOM 700 C ARG A 91 -8. 672 17. 989 8. 237 1. 00 17. 75

A

ATOM 701 O ARG A 91 -8. 413 17. 012 7. 535 1. 00 18. 36

A

ATOM 702 N VAL A 92 -9. 639 17. 981 9. 144 1. 00 17. 31

A

ATOM 703 CA VAL A 92 10. 464 16. 801 9. 334 1. 00 17. 88

A

ATOM 704 CB VAL A 92 10. 420 16. 333 10. 793 1. 00 17. 95

A

ATOM 705 CGl VAL A 92 11. 317 15. 113 10. 987 1. 00 16. 64

A 71

ATOM 706 CG2 VAL A 92 -8 .988 16 .000 11 .166 1 .00 16 .66

A

ATOM 707 C VAL A 92 -11 .897 17 .108 8 .924 1 .00 19 .26

A

ATOM 708 O VAL A 92 -12 .567 17 .934 9 .541 1 .00 20 .00

A

ATOM 709 N GLU A 93 -12 .359 16 .441 7 .872 1 .00 19 .86

A

ATOM 710 CA GLU A 93 -13 .704 16 .662 7 .362 1 .00 22 .31

A

ATOM 711 CB GLU A 93 -13 .799 16 .163 5 .911 1 .00 20 .36

A

ATOM 712 CG GLU A 93 -12 .709 16 .754 5 .002 1 .00 19 .88

A

ATOM 713 CD GLU A 93 -12 .942 16 .503 3 .514 1 .00 19 .41

A

ATOM 714 OEl GLU A 93 -13 .357 17 .439 2 .796 1 .00 20 .35

A

ATOM 715 OE2 GLU A 93 -12 .709 15 .368 3 .059 1 .00 18 .39

A

ATOM 716 C GLU A 93 -14 .774 16 .014 8 .240 1 .00 24 .94

A

ATOM 717 O GLU A 93 -15 .035 14 .814 8 .157 1 .00 26 .88

A

ATOM 718 N ILE A 94 -15 .384 16 .825 9 .096 1 .00 26 .20

A

ATOM 719 CA ILE A 94 -16 .424 16, .337 9 , , 993 1, .00 26 .75

A

ATOM 720 CB ILE A 94 -16 .201 16, ,819 11, .444 1 .00 28 .02

A

ATOM 721 CG2 ILE A 94 -14 .865 16 , .298 11. , 984 1 , , 00 26 , .95

A

ATOM 722 CGl ILE A 94 -16. .244 18. 345 11. 492 1. 00 26 , , 97

A

ATOM 723 CDl ILE A 94 -16. .445 18. 878 12. 876 1. 00 29. 75

A

ATOM 724 C ILE A 94 -17. ,784 16. 848 9. 526 1. 00 27. .04

A

ATOM 725 O ILE A 94 -17. .864 17. 787 8. 730 1. 00 25. 69

A

ATOM 726 N PRO A 95 -18. 877 16. 235 10. 021 1. 00 28. 05

A

ATOM 727 CD PRO A 95 -18. 905 15. 082 10. 944 1. 00 27. 90

A

ATOM 728 CA PRO A 95 ^■20. 240 16. 634 9. 649 1. 00 28. 83

A

ATOM 729 CB PRO A 95 -21. 103 15. 850 10. 634 1. 00 27. 46

A

ATOM 730 CG PRO A 95 •20. 330 14. 585 10. 804 1. 00 27. 15

A

ATOM 731 C PRO A 95 ^■20. 488 18. 142 9. 725 1. 00 29. 58

A

ATOM 732 O PRO A 95 •19. 871 18. 851 10. 528 1. 00 29. 50

A

ATOM 733 N GLY A 96 ^■21. 392 18. 622 8. 879 1. 00 31. 22

A 72

ATOM 734 CA GLY A 96 -21.716 20.035 ! .872 1.00 32.93

A

ATOM 735 C GLY A 96 -21.260 20.766 7.624 1.00 34.18

A

ATOM 736 O GLY A 96 -20.422 20.279 6.865 1.00 34.76

A

ATOM 737 N TRP A 97 -21.809 21.953 7.411 1.00 36.09

A

ATOM 738 CA TRP A 97 -21.437 22.761 i.255 1.00 37.!

A

ATOM 739 CB TRP A 97 ^•22 .631 23 .623 5 .834 1 .00 39 .02

A

ATOM 740 CG TRP A 97 22 .588 24 .026 4 .407 1 .00 40 .54

A

ATOM 741 CD2 TRP A 97 22 .645 23 .140 3 .276 1 .00 41 .36

A

ATOM 742 CE2 TRP A 97 22 .558 23 .935 2 .119 1 .00 41 .98

A

ATOM 743 CE3 TRP A 97 22 .761 21 .750 3 .135 1 .00 42 .31

A

ATOM 744 CDl TRP A 97 22 .473 25 .282 3 .910 1 .00 41 .24

A

ATOM 745 NEl TRP A 97 22 .453 25 .237 2 .531 1 .00 41 .97

A

ATOM 746 CZ2 TRP A 97 22 .585 23 .400 0 .831 1 .00 42 .23

A

ATOM 747 CZ3 TRP A 97 22 .787 21 .205 1 .854 1 .00 43 .26

A

ATOM 748 CH2 TRP A 97 22 .699 22 .040 0 .711 1 .00 42 .84

A

ATOM 749 C TRP A 97 20 .267 23 .641 6 .681 1 .00 38 .25

A

ATOM 750 O TRP A 97 20 .262 24 .132 7 .802 1 .00 37 .46

A

ATOM 751 N PHE A 98 19 .286 23 .822 5 .793 1 .00 43 .20

A

ATOM 752 CA PHE A 98 18 .109 24 .646 6 .081 1 .00 44 .00

A

ATOM 753 CB PHE A 98 18 .399 26 .125 5 .755 1 .00 46 .30

A

ATOM 754 CG PHE A 98 17 .240 26 .830 5 .098 1 .00 50 .47

A

ATOM 755 CDl PHE A 98 16 .849 26 .493 3 .804 1 .00 51 .54

A

ATOM 756 CD2 PHE A 98 16 .518 27 .806 5 .781 1 .00 51 .89

A

ATOM 757 CEl PHE A 98 15 .739 27 .104 3 .207 1 .00 52 .82

A

ATOM 758 CE2 PHE A 98 15 .407 28 .425 5 .197 1 .00 52 .63

A

ATOM 759 CZ PHE A 98 15 .026 28 .078 3 .909 1 .00 53 .24

A

ATOM 760 C PHE A 98 17 .799 24 .495 7 .578 1 .00 43 .11

A

ATOM 761 O PHE A 98 17 .738 25 .484 8 .321 1 .00 43 .50

A 73

ATOM 762 N ASN A 99 ^■17 .569 23 .261 8 .014 1 .00 38 .30

A

ATOM 763 CA ASN A 99 ^■17 .375 22 .995 9 .436 1 .00 35 .01

A

ATOM 764 CB ASN A 99 -18 .672 22 .362 9 .942 1 .00 34 .82

A

ATOM 765 CG ASN A 99 ^•18 .827 22 .445 11 .428 1 .00 35 .83

A

ATOM 766 ODl ASN A 99 ^■18 .713 23 .523 12 .010 1 .00 37 .18

A

ATOM 767 ND2 ASN A 99 ^■19 .115 21 .310 12 .060 1 .00 35 .92

A

ATOM 768 C ASN A 99 16 .188 22 .060 9 .769 1 .00 32 .82

A

ATOM 769 O ASN A 99 16 .226 21 .357 10 .781 1 .00 31 .81

A

ATOM 770 N ASP A 100 15 .132 22 .076 8 .962 1 .00 30 .47

A

ATOM 771 CA ASP A 100 13 .975 21 .209 9 .187 1 .00 28 .78

A

ATOM 772 CB ASP A 100 13 .076 21 .192 7 .945 1 .00 30 .36

A

ATOM 773 CG ASP A 100 13 .750 20 .598 6 .739 1 .00 32 .62

A

ATOM 774 ODl ASP A 100 14 .130 19 .416 6 .786 1 .00 32 .68

A

ATOM 775 OD2 ASP A 100 13. .883 21 .323 5 .736 1 .00 36 .81

A

ATOM 776 C ASP A 100 13 , .084 21 .521 10 .377 1 .00 26 .24

A

ATOM 111 O ASP A 100 12. .858 22 .683 10 .699 1 .00 25 .30

A

ATOM 778 N GLN A 101 12. ,560 20 .474 11 .016 1 .00 23 .58

A

ATOM 779 CA GLN A 101 11. 630 20 .675 12 .125 1 .00 22 .64

A

ATOM 780 CB GLN A 101 11. 425 19 .393 12 .938 1 .00 21 .44

A

ATOM 781 CG GLN A 101 10. 249 19 .497 13 .901 1 .00 21 .36

A

ATOM 782 CD GLN A 101 10. 012 18 .233 14 .705 1 .00 22 .38

A

ATOM 783 OEl GLN A 101 10. 812 17 .876 15 .571 1 .00 21 .20

A

ATOM 784 NE2 GLN A 101 -8. 903 17 .549 14 .424 1 .00 20 .98

A

ATOM 785 C GLN A 101 10. 296 21 .083 11 .495 1 .00 21 .61

A

ATOM 786 O GLN A 101 -9. 644 20 .278 10 .830 1 .00 20 .72

A

ATOM 787 N LYS A 102 -9. 904 22 .335 11 .695 1 .00 21 .12

A

ATOM 788 CA LYS A 102 657 22 .857 11 .134 1 .00 19 .85

A

ATOM 789 CB LYS A 102 -8. 923 24 .148 10 .345 1 .00 19 .89

A 74

ATOM 790 CG LYS A 102 -9 .873 23 .982 9 .178 1 .00 22 .21

A

ATOM 791 CD LYS A 102 -9 .849 25 .195 8 .265 1 .00 24 .99

A

ATOM 792 CE LYS A 102 10 .430 26 .439 8 .923 1 .00 25 .22

A

ATOM 793 NZ LYS A 102 10 .401 27 .602 7 .986 1 .00 24 .85

A

ATOM 794 C LYS A 102 -7 .579 23 .136 12 .181 1 .00 17 .79

A

ATOM 795 O LYS A 102 -7 .813 23 .770 13 .214 1 .00 17 .06

A

ATOM 796 N VAL A 103 -6 .378 22 .665 11 .901 1 .00 15 .51

A

ATOM 797 CA VAL A 103 -5 .280 22 .895 12 .809 1 .00 13 .28

A

ATOM 798 CB VAL A 103 -5 .011 21 .668 13 .699 1 .00 11 .52

A

ATOM 799 CGl VAL A 103 -3 .789 21 .920 14 .566 1 .00 9 .08

A

ATOM 800 CG2 VAL A 103 -6 .222 21 .381 14 .562 1 .00 10 .99

A

ATOM 801 C VAL A 103 -4 .049 23 .220 11 .985 1 .00 14 .73

A

ATOM 802 O VAL A 103 -3 .649 22 .458 11 .093 1 .00 14 .23

A

ATOM 803 N THR A 104 -3 .465 24 .375 12 .276 1 .00 14 .03

A

ATOM 804 CA THR A 104 -2. .278 24 .822 11 .573 1. .00 13 .46

A

ATOM 805 CB THR A 104 -2. ,370 26 .315 11. .243 1, .00 12 .46

A

ATOM 806 OGl THR A 104 -3. 543 26. , 559 10. ,462 1. .00 11 , ,83

A

ATOM 807 CG2 THR A 104 -1. 154 26. .761 10. ,474 1. ,00 10. ,36

A

ATOM 808 C THR A 104 075 24. 601 12. 473 1. 00 13. 24

A

ATOM 809 O THR A 104 -1. 126 24. 894 13. 669 1. 00 12. 71

A

ATOM 810 N PHE A 105 0. 002 24. 075 11. 904 1. 00 12. 94

A

ATOM 811 CA PHE A 105 1. 207 23. 853 12. 679 1. 00 14. 98

A

ATOM 812 CB PHE A 105 1. 669 22. 387 12. 601 1. 00 15. 46

A

ATOM 813 CG PHE A 105 0. 646 21. 394 13. 056 1. 00 12. 97

A

ATOM 814 CDl PHE A 105 -0. 446 21. 093 12. 259 1. 00 14. 61

A

ATOM 815 CD2 PHE A 105 0. 785 20. 745 14. 275 1. 00 14. 74

A

ATOM 816 CEl PHE A 105 -1. 393 20. 151 12. 666 1. 00 15. 82

A

ATOM 817 CE2 PHE A 105 -0. 155 19. 798 14. 697 1. 00 14. 66

A 75

ATOM 818 CZ PHE A 105 -1 .246 19 .502 13 .890 1. 00 15 .02

A

ATOM 819 C PHE A 105 2 .335 24 .747 12 .173 1. 00 16 .86

A

ATOM 820 O PHE A 105 2 .406 25 .103 10 .989 1. 00 17 .66

A

ATOM 821 N SER A 106 3 .217 25 .101 13 .095 1. 00 17 .90

A

ATOM 822 CA SER A 106 4 .374 25 .922 12 .805 1. 00 18 .31

A

ATOM 823 CB SER A 106 4 .317 27 .182 13 .659 1. 00 19 .11

A

ATOM 824 OG SER A 106 5 .608 27 .649 13 .967 1. 00 23 .19

A

ATOM 825 C SER A 106 5 .550 25 .037 13 .191 1. 00 17 .38

A

ATOM 826 O SER A 106 5 .848 24 .871 14 .374 1. 00 17 .27

A

ATOM 827 N LEU A 107 6 .194 24 .456 12 .182 1. 00 18 .25

A

ATOM 828 CA LEU A 107 7 .319 23 .541 12 .374 1. 00 19 .44

A

ATOM 829 CB LEU A 107 7 .220 22 .395 11 .362 1. 00 16 .84

A

ATOM 830 CG LEU A 107 7 .799 21 .004 11 .652 1. 00 15 .51

A

ATOM 831 CDl LEU A 107 8 .172 20 .374 10 .322 1. 00 15 .18

A

ATOM 832 CD2 LEU A 107 9 .023 21 .066 12 .537 1. 00 15 .57

A

ATOM 833 C LEU A 107 8 .691 24 .198 12 .225 1. 00 21 .40

A

ATOM 834 O LEU A 107 8 .903 25 .042 11 .345 1. 00 22 .50

A

ATOM 835 N GLN A 108 9 .623 23 .793 13 .085 1. 00 22 .83

A

ATOM 836 CA GLN A 108 10 .988 24 .298 13 .045 1. 00 24 .08

A

ATOM 837 CB GLN A 108 11 .246 25 .283 14 .172 1. 00 27 .46

A

ATOM 838 CG GLN A 108 10 .381 26 .499 14 .125 1. 00 33 .32

A

ATOM 839 CD GLN A 108 11 .105 27 .702 14 .666 1. 00 39 .33

A

ATOM 840 OEl GLN A 108 11 .680 27 .660 15 .755 1. 00 42 .16

A

ATOM 841 NE2 GLN A 108 11 .091 28 .789 13 .903 1. 00 42 .43

A

ATOM 842 C GLN A 108 11 .957 23 .148 13 .189 1. 00 23 .49

A

ATOM 843 O GLN A 108 11 .974 22 .470 14 .216 1. 00 23 .48

A

ATOM 844 N VAL A 109 12 .759 22 .931 12 .153 1. 00 22 .74

A

ATOM 845 CA VAL A 109 13 .744 21 .863 12 .169 1. 00 21 .59

A 76

ATOM 846 CB VAL A 109 13.587 20.913 10.960 1.00 19.92

A

ATOM 847 CGl VAL A 109 14.566 19.743 11.085 1.00 18.27

A

ATOM 848 CG2 VAL A 109 12.165 20.399 10.888 1.00 18.87

A

ATOM 849 C VAL A 109 15.120 22.498 12.122 1.00 21.76

A

ATOM 850 O VAL A 109 15.524 23.062 11.105 1.00 22.74

A

ATOM 851 N LYS A 110 15.831 22.419 13.236 1.00 21.30

A

ATOM 852 CA LYS A 110 17.161 22.986 13.312 1.00 22.29

A

ATOM 853 CB LYS A 110 17.235 24.014 14.444 1.00 22.65

A

ATOM 854 CG LYS A 110 16.509 25.317 14.142 1.00 21.72

A

ATOM 855 CD LYS A 110 16.726 26.329 15.248 1.00 23.72

A

ATOM 856 CE LYS A 110 16.310 27.725 14.820 1.00 25.38

A

ATOM 857 NZ LYS A 110 14.867 27.789 14.470 1.00 28.71

A

ATOM 858 C LYS A 110 18.181 21.889 13.547 1.00 22.62

A

ATOM 859 O LYS A 110 17.836 20.803 14.006 1.00 22.34

A

ATOM 860 N PRO A 111 19.450 22.146 13.195 1.00 23.02

A

ATOM 861 CD PRO A 111 19.987 23.266 12.403 1.00 22.49

A

ATOM 862 CA PRO A 111 20.475 21.127 13.413 1.00 23.40

A

ATOM 863 CB PRO A 111 21.728 21.761 12.820 1.00 22.87

A

ATOM 864 CG PRO A 111 21.174 22.624 11.728 1.00 24.15

A

ATOM 865 C PRO A 111 20.595 20.917 14.918 1.00 23.65

A

ATOM 866 O PRO A 111 20.470 21.860 15.700 1.00 24.29

A

ATOM 867 N GLU A 112 20.820 19.672 15.305 1.00 23.60

A

ATOM 868 CA GLU A 112 20.954 19.266 16.696 1.00 24.91

A

ATOM 869 CB GLU A 112 20.751 17.756 16.748 1.00 26.79

A

ATOM 870 CG GLU A 112 21.364 17.004 17.888 1.00 29.56

A

ATOM 871 CD GLU A 112 21.129 15.511 17.725 1.00 32.26

A

ATOM 872 OEl GLU A 112 21.472 14.970 16.649 1.00 33.36

A

ATOM 873 OE2 GLU A 112 20.593 14.876 18.659 1.00 32.80

A 77

ATOM 874 C GLU A 112 22 .300 19 .665 17 .268 1 .00 24 .52

A

ATOM 875 O GLU A 112 22 .458 19 .848 18 .476 1 .00 24 .63

A

ATOM 876 N LEU A 113 23 .275 19 .804 16 .387 1 .00 24 .50

A

ATOM 877 CA LEU A 113 24 .612 20 .191 16 .801 1 .00 24 .83

A

ATOM 878 CB LEU A 113 25 .568 18 .996 16 .704 1 .00 24 .46

A

ATOM 879 CG LEU A 113 27 .068 19 .308 16 .834 1 .00 25 .44

A

ATOM 880 CDl LEU A 113 27 .433 19 .545 18 .295 1 .00 23 .22

A

ATOM 881 CD2 LEU A 113 27 .878 18 .146 16 .272 1 .00 24 .17

A

ATOM 882 C LEU A 113 25 .089 21 .266 15 .838 1 .00 25 .66

A

ATOM 883 O LEU A 113 25 .090 21 .062 14 .636 1 .00 27 .25

A

ATOM 884 N VAL A 114 25 .435 22 .421 16 .349 1 .00 26 .47

A

ATOM 885 CA VAL A 114 25 .965 23 .394 15 .483 1 .00 29 .70

A

ATOM 886 CB VAL A 114 25 .395 24 .754 15 .717 1 .00 27 .61

A

ATOM 887 CGl VAL A 114 26 .175 25 , .773 14 .957 1 .00 27 .09

A

ATOM 888 CG2 VAL A 114 23 .944 24 , ,736 15 .289 1 .00 26 .06

A

ATOM 889 C VAL A 114 27 .379 23. ,422 15 .995 1 .00 32 .89

A

ATOM 890 O VAL A 114 27 .644 24. 033 17. .017 1 .00 32 .68

A

ATOM 891 N PRO A 115 28 .317 22. 746 15. ,334 1 .00 35 .79

A

ATOM 892 CD PRO A 115 28 .458 21. 465 14. ,624 1 .00 36 .64

A

ATOM 893 CA PRO A 115 29 .506 23. 037 16. 137 1 .00 39 .88

A

ATOM 894 CB PRO A 115 30 .453 21. 874 15. 784 1 .00 38 .40

A

ATOM 895 CG PRO A 115 29 .913 21. 397 14. 423 1 .00 38 .40

A

ATOM 896 C PRO A 115 30 .024 24. 445 15. 828 1 .00 43 .67

A

ATOM 897 O PRO A 115 29 .236 25. 421 15. 976 1 .00 45 .11

A

ATOM 898 N ARG A 116 31 .341 24. 534 15. 659 1 .00 47 .78

A

ATOM 899 CA ARG A 116 31 .960 25. 719 15. 176 1 .00 51 .28

A

ATOM 900 CB ARG A 116 33 .390 25. 728 15. 762 1 .00 51 .76

A

ATOM 901 CG ARG A 116 33 .234 25. 842 17. 360 1 .00 53 .78

A 78

ATOM 902 CD ARG A 116 34 .101 24 .849 18 .166 1 .00 55 .67

A

ATOM 903 NE ARG A 116 34 .374 25 .576 19 .407 1 .00 57 .07

A

ATOM 904 CZ ARG A 116 35 .262 25 .317 20 .410 1 .00 57 .75

A ATOM 905 NHl ARG A 116 36 .141 24 .257 20 .495 1 .00 59 .32

A

ATOM 906 NH2 ARG A 116 35 .327 26 .241 21 .393 1 .00 58 .29

A

ATOM 907 C ARG A 116 31 .402 25 .020 13 .850 1 .00 51 .98 ATOM 908 O ARG A 116 30 .124 25 .290 13 .657 1 .00 52 .14

A

ATOM 909 OXT ARG A 116 31 .939 24 .280 12 .946 1 .00 53 .29

A

ATOM 910 CB MET B 1 -10 .364 38 .043 22 .142 1 .00 71 .72

"R

ATOM 911 CG MET B 1 -10 .904 38 .210 20 .713 1 .00 73 .66 B ATOM 912 SD MET B 1 -12 .712 38 .414 20 .619 1 .00 76 .28 π D

ATOM 913 CE MET B 1 -12 .909 39 .969 19 .719 1 .00 74 .99 π B ATOM 914 C MET B 1 -9 .285 35. .830 22 .705 1 .00 68 .51 B ATOM 915 O MET B 1 -8 .779 35. , 434 23 .758 1 .00 69 .71 π

ATOM 916 N MET B 1 p .330 37. ,328 20 .922 1, .00 69 .75

ATOM 917 CA MET B 1 -9 , .037 37. 270 22. .232 1 , , 00 69. .63 π

ATOM 918 N ASP B 2 -10. ,038 35. 048 21. .921 1. .00 66. .71

B ATOM 919 CA ASP B 2 -10. 368 33. 655 22. ,276 1. 00 64. .15

" £R5

ATOM 920 CB ASP B 2 -11. 512 33. 642 23. 294 1. 00 65. 49

ATOM 921 CG ASP B 2 -11. 025 33. 470 24. 712 1. 00 66. 14

ATOM 922 ODl ASP B 2 -9. 795 33. 485 24. 916 1. 00 66. 24 π .D

ATOM 923 OD2 ASP B 2 -11. 871 33. 320 25. 620 1. 00 65. 87 B ATOM 924 C ASP B 2 -10. 747 32. 687 21. 143 1. 00 61. 91

D

ATOM 925 O ASP B 2 -10. 930 33. 083 19. 994 1. 00 62. 45

ATOM 926 N SER B 3 -10. 882 31. 408 21. 494 1. 00 57. 61

D

ATOM 927 CA SER B 3 -11. 255 30. 357 20. 542 1. 00 53. 31 B ATOM 928 CB SER B 3 -10. 025 29. 918 19. 728 1. 00 53. 31 B ATOM 929 OG SER B 3 -10. 237 28. 683 19. 061 1. 00 52. 88 B 79

ATOM 930 C SER B 3 -11 .865 29 .155 21 .277 1 .00 49 .86

B ATOM 931 O SER B 3 -11 .146 28 .374 21 .909 1 .00 49 .78

ATOM 932 N TYR B 4 -13 .190 29 .017 21 .187 1 .00 45 .42

B

ATOM 933 CA TYR B 4 -13 .921 27 .929 21 .846 1 .00 40 .46

B ATOM 934 CB TYR B 4 -15 .159 28 .470 22 .555 1 .00 40 .52 rS

ATOM 935 CG TYR B 4 -14 .955 29 .343 23 .772 1 .00 41 .49

B ATOM 936 CDl TYR B 4 -16 .038 30 .021 24 .326 1 .00 41 .64

B

ATOM 937 CEl TYR B 4 -15 .896 30 .825 25 .452 1 .00 42 .63

ATOM 938 CD2 TYR B 4 -13 .708 29 .488 24 .381 1 .00 42 .15

ATOM 939 CE2 TYR B 4 -13 .553 30 .297 25 .522 1 .00 42 .42

B

ATOM 940 CZ TYR B 4 -14 .658 30 .962 26 .046 1 .00 42 .72

ATOM 941 OH TYR B 4 -14 .539 31 .774 27 .154 1 .00 43 .29 rS

ATOM 942 C TYR B 4 -14 .432 26 .847 20 .891 1 .00 37 .23

ID ATOM 943 O TYR B 4 -14 , .638 27 .093 19, .705 1. .00 35 .41 B ATOM 944 N VAL B 5 -14 , .656 25 .649 21. ,422 1. , 00 33. .76

ATOM 945 CA VAL B 5 -15. ,222 24 , .572 20. ,624 1. 00 30. ,19

ATOM 946 CB VAL B 5 -14. 626 23. ,198 20. 975 1. 00 30. 44

B ATOM 947 CGl VAL B 5 -15. 551 22. 097 20. 479 1. 00 29. 51

JD

ATOM 948 CG2 VAL B 5 -13. 263 23. 038 20. 327 1. 00 30. 07

ATOM 949 C VAL B 5 -16. 696 24. 560 21. 001 1. 00 28. 82 B ATOM 950 O VAL B 5 -17. 041 24. 317 22. 156 1. 00 28. 13

ATOM 951 N GLU B 6 -17. 565 24. 833 20. 038 1. 00 26. 95 B ATOM 952 CA GLU B 6 -18. 997 24. 851 20. 308 1. 00 25. 15 B ATOM 953 CB GLU B 6 -19. 697 25. 874 19. 417 1. 00 26. 64 B ATOM 954 CG GLU B 6 -19. 300 27. 308 19. 668 1. 00 27. 19 B ATOM 955 CD GLU B 6 -20. 141 28. 269 18. 867 1. 00 28. 99 B ATOM 956 OEl GLU B 6 -19. 915 29. 495 18. 965 1. 00 29. 66 B ATOM 957 OE2 GLU B 6 -21. 036 27. 793 18. 135 1. 00 31. 15 B 80

ATOM 958 C GLU B 6 -19 .654 23 .498 20 .101 1 .00 23 .92 B ATOM 959 O GLU B 6 -19 .412 22 .824 19 .099 1 .00 23 .17

ATOM 960 N VAL B 7 -20 .495 23 .110 21 .052 1 .00 23 .39 π

ATOM 961 CA VAL B 7 -21 .205 21 .842 20 .968 1 .00 22 .61 a ATOM 962 CB VAL B 7 -20 .670 20 .824 22 .007 1 .00 22 .53 B ATOM 963 CGl VAL B 7 -21 .338 19 .473 21 .809 1 .00 22 .42

ATOM 964 CG2 VAL B 7 -19 .163 20 .688 21 .872 1 .00 24 .72 ATOM 965 C VAL B 7 -22 .689 22 .081 21 .224 1 .00 22 .14 B ATOM 966 O VAL B 7 -23 .056 22 .820 22 .137 1 .00 21 .90

ATOM 967 N LYS B 8 -23 .532 21 .464 20 .401 1 .00 22 .46 π

ATOM 968 CA LYS B 8 -24 .980 21 .585 20 .537 1 .00 23 .78 B ATOM 969 CB LYS B 8 -25 .630 21 .974 19, .207 1 .00 23 .98

ATOM 970 CG LYS B 8 -25 .262 23 .360 18 .694 1 .00 26 .31

ATOM 971 CD LYS B 8 -25 .668 24 .448 19, ,675 1 .00 28 .00

R

ATOM 972 CE LYS B 8 -25 .592 25, ,829 19. , 034 1 .00 31 .38 B ATOM 973 NZ LYS B 8 -24. .222 26. , 159 18. 543 1 , .00 32 .22

ATOM 974 C LYS B 8 -25 , ,541 20. 245 20. 990 1. , 00 23 .83

R

ATOM 975 O LYS B 8 -25. ,232 19. 209 20. 406 1. ,00 23 .56 B ATOM 976 N GLY B 9 -26. 361 20. 273 22. 036 1. 00 24 .54

ATOM 977 CA GLY B 9 -26. 955 19. 052 22. 550 1. 00 24 .18

ATOM 978 C GLY B 9 -28. 468 19. 143 22. 656 1. 00 23 .46 B ATOM 979 O GLY B 9 -29. 034 20. 240 22. 672 1. 00 24 .15

R

ATOM 980 N VAL B 10 -29. 118 17. 986 22. 732 1. 00 21 .91

ATOM 981 CA VAL B 10 -30. 571 17. 911 22. 838 1. 00 20 .54 B ATOM 982 CB VAL B 10 -31. 147 17. 130 21. 625 1. 00 21 .65

R

ATOM 983 CGl VAL B 10 -32. 261 16. 203 22. 050 1. 00 21 .62

ATOM 984 CG2 VAL B 10 -31. 671 18. 109 20. 606 1. 00 21 .59 B ATOM 985 C VAL B 10 -31. 013 17. 264 24. 160 1. 00 19 .16 B 81

ATOM 986 O VAL B 10 -30 .623 16 .135 24 .463 1 .00 18 .68 B ATOM 987 N VAL B 11 -31 .824 17 .987 24 .935 1 .00 16 .83 ATOM 988 CA VAL B 11 -32 .313 17 .499 26 .221 1 .00 15 .84 π B

ATOM 989 CB VAL B 11 -33 .457 18 .367 26 .764 1 .00 14 .22 B ATOM 990 CGl VAL B 11 -33 .982 17 .768 28 .062 1 .00 13 .86 π ∑5

ATOM 991 CG2 VAL B 11 -32 .970 19 .788 26 .992 1 .00 12 .88 B ATOM 992 C VAL B 11 -32 .823 16 .073 26 .127 1 .00 16 .90 B ATOM 993 O VAL B 11 -33 .516 15 .723 25 .178 1 .00 16 .15

ATOM 994 N GLY B 12 -32 .473 15 .258 27 .119 1 .00 17 .88

"R

ATOM 995 CA GLY B 12 -32 .902 13 .871 27 .131 1 .00 19 .76

JzS

ATOM 996 C GLY B 12 -31 .943 12 .944 26 .404 1 .00 20 .78

ATOM 997 O GLY B 12 -31 .986 11 .731 26 .590 1 .00 22 .15

ATOM 998 N HIS B 13 -31 .075 13. .514 25. .576 1. .00 20 .69

^"R

ATOM 999 CA HIS B 13 -30. .110 12, .729 24 .815 1 .00 20 .11 B ATOM 1000 CB HIS B 13 -30. .097 13. .167 23. .349 1. .00 20 .73

D

ATOM 1001 CG HIS B 13 -31. .416 13. 016 22. ,657 1. , 00 22 .75 B ATOM 1002 CD2 HIS B 13 -31. .742 12. 429 21. 481 1. 00 22 , .55 B ATOM 1003 NDl HIS B 13 -32. 585 13. 540 23. 162 1. 00 22. ,41

ATOM 1004 CEl HIS B 13 -33. 578 13. 285 22. 326 1. 00 23. 92

ATOM 1005 NE2 HIS B 13 -33. 092 12. 613 21. 299 1. 00 24. 38 B

ATOM 1006 C HIS B 13 -28. 715 12. 910 25. 379 1. 00 19. 19 r>

ATOM 1007 O HIS B 13 -28. 417 13. 916 26. 015 1. 00 20. 27

ATOM 1008 N PRO B 14 -27. 843 11. 920 25. 177 1. 00 17. 62

ATOM 1009 CD PRO B 14 -28. 030 10. 589 24. 572 1. 00 16. 95 B ATOM 1010 CA PRO B 14 -26. 490 12. 074 25. 699 1. 00 15. 39 B ATOM 1011 CB PRO B 14 -25. 933 10. 658 25. 606 1. 00 15. 80 ATOM 1012 CG PRO B 14 -26. 598 10. 132 24. 363 1. 00 15. 65

ATOM 1013 C PRO B 14 -25. 773 13. 050 24. 776 1. 00 14. 32 82

ATOM 1014 O PRO B 14 -25. .996 13 .048 23 .568 1. .00 14 .68

B ATOM 1015 N VAL B 15 -24. 927 13 .902 25 .331 1. 00 14 .01

B ATOM 1016 CA VAL B 15 -24. 206 14 .853 24 .499 1. 00 13 .86

B ATOM 1017 CB VAL B 15 -24. 564 16 .309 24 .892 1. 00 13 .84

B

ATOM 1018 CGl VAL B 15 -24. 369 16 .508 26 .384 1. 00 13 .77

B

ATOM 1019 CG2 VAL B 15 -23. 710 17 .296 24 .102 1. 00 14 .76

ATOM 1020 C VAL B 15 -22. 713 14 .591 24 .663 1. 00 13 .06

B

ATOM 1021 O VAL B 15 -22. 259 14 .223 25 .747 1. 00 12 .89 π JD

ATOM 1022 N THR B 16 -21. 947 14 .756 23 .588 1. 00 13 .34

B

ATOM 1023 CA THR B 16 -20. 515 14 .509 23 .662 1. 00 14 .12

B ATOM 1024 CB THR B 16 -20. 109 13 .342 22 .755 1. 00 13 .78

ATOM 1025 OGl THR B 16 -20. 615 12 .118 23 .300 1. 00 15 .96

B ATOM 1026 CG2 THR B 16 -18. 609 13 .253 22 .649 1. 00 16 .15

¹ IQD

ATOM 1027 C THR B 16 -19. 632 15 .702 23 .337 1. 00 14 .41

B ATOM 1028 O THR B 16 -19. 917 16 .486 22 .431 1. 00 15 .07 π ATOM 1029 N LEU B 17 -18. 565 15 .836 24 .117 1. 00 15 .32

B

ATOM 1030 CA LEU B 17 -17. 585 16 .895 23 .943 1. 00 16 .42

B ATOM 1031 CB LEU B 17 -17. 342 17 .630 25 .263 1. 00 16 .01

ATOM 1032 CG LEU B 17 -18. 566 18 .274 25 .919 1. 00 16 .62

• Bp

ATOM 1033 CDl LEU B 17 -18. 124 19 .039 27 .165 1. 00 17 .32

ATOM 1034 CD2 LEU B 17 -19. 240 19 .210 24 .946 1. 00 13 .74

ATOM 1035 C LEU B 17 -16. 318 16 .173 23 .493 1. 00 17 .15

B

ATOM 1036 O LEU B 17 -15. 597 15 .577 24 .308 1. 00 17 .03

B

ATOM 1037 N PRO B 18 -16. 044 16 .195 22 .183 1. 00 16 .58 π

ATOM 1038 CD PRO B 18 -16. 893 16 .738 21 .114 1. 00 16 .25

" JDD

ATOM 1039 CA PRO B 18 -14. 864 15 .534 21 .621 1. 00 15 .78

R

ATOM 1040 CB PRO B 18 -15. 066 15 .679 20 .114 1. 00 15 .01

ATOM 1041 CG PRO B 18 -16. 554 15 .826 19 .974 1. 00 16 .73 B 83

ATOM 1042 C PRO B 18 13 .565 16 .163 22.076 1 .00 15 .97

B

ATOM 1043 O PRO B 18 13 .388 17 .377 21.996 1 .00 17 .52

B

ATOM 1044 N CYS B 19 12 .659 15 .329 22.562 1 .00 15 .35 π ID

ATOM 1045 CA CYS B 19 11 .361 15 .799 23.011 1 .00 15 .69

B

ATOM 1046 C CYS B 19 10 .395 14 .628 22.834 1 .00 15 .37

B

ATOM 1047 O CYS B 19 10 .573 13 .562 23.438 1 .00 14 .67

B

ATOM 1048 CB CYS B 19 11 .430 16 .242 24.474 1 .00 16 .35

B

ATOM 1049 SG CYS B 19 -9 .927 17 .099 25.032 1 .00 21 .01

ATOM 1050 N THR B 20 -9 .391 14 .823 21.985 1 .00 13 .35

ATOM 1051 CA THR B 20 -8 .413 13 .779 21.696 1 .00 12 .15

B

ATOM 1052 CB THR B 20 -8 .692 13 .123 20.329 1 .00 11 .54

B

ATOM 1053 OGl THR B 20 -8 .524 14 .101 19.292 1 .00 10 .21

B

ATOM 1054 CG2 THR B 20 10 .106 12 .572 20.277 1. .00 10 .42

B

ATOM 1055 C THR B 20 -6 .992 14 .322 21.653 1. .00 10 .49

-D

ATOM 1056 O THR B 20 -6 .785 15 .531 21.534 1. , 00 9 .17

B

ATOM 1057 N TYR B 21 -6 .021 13 .417 21.752 1. , 00 10 .24

B

ATOM 1058 CA TYR B 21 -4 .610 13 .783 21.697 1. 00 10 .76

B

ATOM 1059 CB TYR B 21 -4 .104 14 .218 23.083 1. 00 10 .91

B

ATOM 1060 CG TYR B 21 - 3 .816 13 .089 24.050 1. 00 12 .06

ATOM 1061 CDl TYR B 21 -2 .527 12 .562 24.178 1. 00 11 .76

U

ATOM 1062 CEl TYR B 21 -2 .259 11 .514 25.055 1 . 00 10 .90

B

ATOM 1063 CD2 TYR B 21 -4 .832 12 .538 24.828 1. 00 10 .76

B

ATOM 1064 CE2 TYR B 21 -4 .576 11 .492 25.708 1. 00 10 .60

B

ATOM 1065 CZ TYR B 21 _ T .289 10 .982 25.818 1. 00 10 .87

B

ATOM 1066 OH TYR B 21 -3 .039 9 .940 26.688 1. 00 12 .19

B

ATOM 1067 C TYR B 21 -3 .837 12 .574 21.193 1. 00 11 .04

B

ATOM 1068 O TYR B 21 -4 .293 11 .438 21.337 1. 00 10 .83

B

ATOM 1069 N SER B 22 -2 .673 12 .814 20.596 1. 00 12 .10

B 84

ATOM 1070 CA SER B 22 -1 .868 11 .722 20 .067 1 .00 12 .04

B

ATOM 1071 CB SER B 22 -1 .026 12 .206 18 .893 1 .00 12 .52

B

ATOM 1072 OG SER B 22 -0 .218 11 .154 18 .397 1 .00 13 .18

B

ATOM 1073 C SER B 22 -0 .962 11 .114 21 .124 1 .00 13 .76

B

ATOM 1074 O SER B 22 -0 .284 11 .825 21 .871 1 .00 12 .69

B

ATOM 1075 N THR B 23 -0 .945 9 .788 21 .179 1 .00 14 .20

B

ATOM 1076 CA THR B 23 -0 .121 9 .091 22 .153 1 .00 15 .73

B

ATOM 1077 CB THR B 23 -0 .838 7 .815 22 .653 1 .00 14 .81

B

ATOM 1078 OGl THR B 23 -1 .039 6 .913 21 .559 1 .00 14 .05

B

ATOM 1079 CG2 THR B 23 -2 .195 8 .170 23 .252 1 .00 11 .79

B

ATOM 1080 C THR B 23 1 .250 8 .713 21 .578 1 .00 17 .23 π>

ATOM 1081 O THR B 23 1 .909 7 .809 22 .093 1 .00 18 .02

B

ATOM 1082 N TYR B 24 1 .680 9 .423 20 .530 1. .00 17 .95

B

ATOM 1083 CA TYR B 24 2. .961 9 .153 19, .864 1. .00 20 .45

B

ATOM 1084 CB TYR B 24 3. .158 10 .093 18 .677 1 .00 18 .77

B

ATOM 1085 CG TYR B 24 3. , 575 11. .493 19. .065 1 , ,00 19 .62

B

ATOM 1086 CDl TYR B 24 4. 764 12. , 044 18. ,586 1. ,00 19. .50

B

ATOM 1087 CEl TYR B 24 5. 132 13. 353 18. 895 1. 00 18. ,53

B

ATOM 1088 CD2 TYR B 24 2. 764 12. .286 19. 873 1. 00 19 , ,68

ATOM 1089 CE2 TYR B 24 3. 123 13. 592 20. 185 1. 00 19. 48

B

ATOM 1090 CZ TYR B 24 4. 306 14. 120 19. 692 1. 00 19. 58

B

ATOM 1091 OH TYR B 24 4. 646 15. 423 19. 982 1. 00 20. 79

B

ATOM 1092 C TYR B 24 4. 180 9. 256 20. 784 1. 00 21. 15

B

ATOM 1093 O TYR B 24 5. 224 8. 659 20. 517 1. 00 20. 12

B

ATOM 1094 N ARG B 25 4. 052 10. 040 21. 847 1. 00 23. 04

B

ATOM 1095 CA ARG B 25 5. 127 10. 190 22. 813 1. 00 24. 22

B

ATOM 1096 CB ARG B 25 5. 495 11. 666 23. 013 1. 00 23. 56

B

ATOM 1097 CG ARG B 25 6. 286 12. 273 21. 847 1. 00 24. 88

B 85

ATOM 1098 CD ARG B 25 7 .684 11 .667 21 .722 1 .00 22 .72

B

ATOM 1099 NE ARG B 25 8 .440 12 .208 20 .588 1 .00 28 .14

B

ATOM 1100 CZ ARG B 25 8 .329 11 .795 19 .322 1 .00 28 .59

B

ATOM 1101 NHl ARG B 25 7 .488 10 .821 19 .000 1 .00 26 .47

B

ATOM 1102 NH2 ARG B 25 9 .065 12 .357 18 .370 1 .00 28 .28

B

ATOM 1103 C ARG B 25 4 .629 9 .585 24 .109 1 .00 25 .31

B

ATOM 1104 O ARG B 25 5 .074 9 .960 25 .192 1 .00 27 .54

B

ATOM 1105 N GLY B 26 3 .695 8 .644 23 .982 1 .00 25 .78

B

ATOM 1106 CA GLY B 26 3 .142 7 .975 25 .150 1 .00 25 .77

B

ATOM 1107 C GLY B 26 1 .861 8 .589 25 .679 1 .00 25 .12

B

ATOM 1108 O GLY B 26 1 .501 9 .702 25 .293 1 .00 24 .45

B

ATOM 1109 N ILE B 27 1 .173 7 .862 26 .562 1 .00 24 .20

B

ATOM 1110 CA ILE B 27 0 .076 8 .341 27 .154 1 .00 23 .18

B

ATOM 1111 CB ILE B 27 0 .927 7 , .201 27 .717 1 .00 23 , .02

B

ATOM 1112 CG2 ILE B 27 1. .321 6. ,244 26 .617 1, .00 22. ,90

B ATOM 1113 CGl ILE B 27 0 .153 6. ,492 28 .824 1, .00 21. , 74

B

ATOM 1114 CDl ILE B 27 0. .943 5. 411 29 , .516 1, , 00 23. 62

B

ATOM 1115 C ILE B 27 0. 227 9. 258 28. ,318 1. 00 23. 11

B

ATOM 1116 O ILE B 27 1. ,338 9. 255 28. ,847 1. ,00 23. 60

ATOM 1117 N THR B 28 0. 768 10. 033 28. 727 1. 00 22. 41

B

ATOM 1118 CA THR B 28 0. 589 10. 940 29. 849 1. 00 22. 08 r>

ATOM 1119 CB THR B 28 0. 001 12. 291 29. 384 1. 00 21. 57

B

ATOM 1120 OGl THR B 28 0. 406 13. 045 30. 530 1. 00 21. 86

B

ATOM 1121 CG2 THR B 28 1. 027 13. 091 28. 595 1. 00 20. 15

B

ATOM 1122 C THR B 28 1. 914 11. 164 30. 579 1. 00 22. 09

B

ATOM 1123 O THR B 28 2. 925 10. 546 30. 244 1. 00 22. 87

B

ATOM 1124 N THR B 29 1. 905 12. 050 31. 568 1. 00 22. 71

B

ATOM 1125 CA THR B 29 3. 093 12. 340 32. 367 1. 00 22. 64

B 86

ATOM 1126 CB THR B 29 ~ 2 .681 12. 785 33 .772 1 .00 22 .93

B

ATOM 1127 OGl THR B 29 -1 .893 13. 978 33 .678 1 .00 24 .67

B

ATOM 1128 CG2 THR B 29 - X .857 11. 690 34 .449 1 .00 20 .30

B

ATOM 1129 C THR B 29 -4 .035 13. 387 31 .766 1 .00 22 .01 aπ ATOM 1130 O THR B 29 -3 .611 14. 267 31 .017 1 .00 23 .50 o ATOM 1131 N THR B 30 -5 .315 13. 284 32 .118 1 .00 20 .95

B

ATOM 1132 CA THR B 30 -6 .349 14. 185 31 .617 1 .00 20 .05

B

ATOM 1133 CB THR B 30 -7 .149 13. 540 30 .455 1 .00 19 .66

D

ATOM 1134 OGl THR B 30 -6 .262 13. 140 29 .406 1 .00 19 .77

B

ATOM 1135 CG2 THR B 30 -8 .189 14. 522 29 .910 1 .00 19 .46

B

ATOM 1136 C THR B 30 -7 .384 14. 506 32 .686 1 .00 19 .43

B

ATOM 1137 O THR B 30 -7 .746 13. 641 33 .480 1 .00 19 .57

B

ATOM 1138 N CYS B 31 -7 .865 15. 744 32 .708 1 .00 18 .07

B

ATOM 1139 CA CYS B 31 -8 .924 16. 099 33 .639 1 .00 18 .96

B

ATOM 1140 C CYS B 31 -9 .967 16. 909 32 .882 1 .00 17 .62

B

ATOM 1141 O CYS B 31 -9 .651 17. 558 31 .880 1 .00 15 .16

B

ATOM 1142 CB CYS B 31 -8 .406 16. 888 34 .860 1 .00 21 .42

B ATOM 1143 SG CYS B 31 -7 .728 18. 557 34 .583 1 .00 26 .72

B

ATOM 1144 N TRP B 32 11 .211 16. 832 33 .348 1 .00 16 .38

B

ATOM 1145 CA TRP B 32 12 .323 17. 565 32 .752 1 .00 16 .03

B

ATOM 1146 CB TRP B 32 13 .428 16. 612 32 .287 1 .00 15 .98

B

ATOM 1147 CG TRP B 32 13 .245 16. 058 30 .896 1 .00 17 .05

B

ATOM 1148 CD2 TRP B 32 13 .645 16. 700 29 .670 1 .00 17 .60

ATOM 1149 CE2 TRP B 32 13 .305 15. 837 28 .619 1 .00 18 .14

ATOM 1150 CE3 TRP B 32 14 .264 17. 920 29 .372 1 .00 17 .95

B

ATOM 1151 CDl TRP B 32 12 .687 14. 872 30 .544 1 .00 16 .44

B

ATOM 1152 NEl TRP B 32 12 .719 14. 735 29 .177 1 .00 18 .02 π

ATOM 1153 CZ2 TRP B 32 13 .555 16. 137 27 .285 1 .00 17 .56

B 87

ATOM 1154 CZ3 TRP B 32 •14 .517 18 .234 28. .046 1. , 00 17 .28

B

ATOM 1155 CH2 TRP B 32 14 .162 17 .332 27. 008 1. 00 17 .84

B

ATOM 1156 C TRP B 32 12 .902 18 .494 33. 802 1. 00 15 .47

B

ATOM 1157 O TRP B 32 12 .927 18 .167 34. 984 1. 00 15 .93

B

ATOM 1158 N GLY B 33 13 .372 19 .657 33. 385 1. 00 15 .58

B

ATOM 1159 CA GLY B 33 13 .939 20 .571 34. 357 1. 00 15 .75

B

ATOM 1160 C GLY B 33 14 .911 21 .579 33. 111 1. 00 15 .72

B

ATOM 1161 O GLY B 33 14 .866 21 .866 32. 583 1. 00 14 .68

B

ATOM 1162 N ARG B 34 15 .794 22 .104 34. 625 1. 00 15 .29

B

ATOM 1163 CA ARG B 34 16 .762 23 .116 34. 224 1. 00 16 .86

B

ATOM 1164 CB ARG B 34 17 .972 23 .088 35. 152 1. 00 18 .89

B

ATOM 1165 CG ARG B 34 18 .944 21 .963 34. 903 1. 00 18 .05

B

ATOM 1166 CD ARG B 34 20 .247 22 .532 34. 381 1. 00 18 .62

B

ATOM 1167 NE ARG B 34 21 .391 21 .805 34. 913 1. 00 18 .14

B

ATOM 1168 CZ ARG B 34 22 .661 22 .137 34. 705 1. 00 16 .98

B

ATOM 1169 NHl ARG B 34 22 .967 23 .200 33. 968 1. 00 15 .27

B

ATOM 1170 NH2 ARG B 34 23 .624 21 .397 35. 239 1. 00 15 .65

ATOM 1171 C ARG B 34 16 .100 24 .491 34. 310 1. 00 17 .62

B

ATOM 1172 O ARG B 34 15 .278 24 .736 35. 190 1. 00 16 .93

B

ATOM 1173 N GLY B 35 16 .484 25 .391 33. 409 1. 00 19 .17

B

ATOM 1174 CA GLY B 35 15 .898 26 .719 33. 387 1. 00 19 .51

B

ATOM 1175 C GLY B 35 14 .707 26 .685 32. 453 1. 00 21 .30

B

ATOM 1176 O GLY B 35 14 .208 25 .604 32. 127 1. 00 20 .77

B

ATOM 1177 N GLN B 36 14 .243 27 .848 32. 015 1. 00 23 .01

B

ATOM 1178 CA GLN B 36 13 .108 27 .882 31. 106 1. 00 25 .34

B

ATOM 1179 CB GLN B 36 12 .935 29 .293 30. 516 1. 00 27 .28

B

ATOM 1180 CG GLN B 36 11 .708 30 .062 30. 960 1. 00 32 .80

B

ATOM 1181 CD GLN B 36 11 .384 31 .222 30. 021 1. 00 36 .63

B ATOM 1182 OEl GLN B 36 ^■11.081 31.018 28.838 1,.00 38.64

B

ATOM 1183 NE2 GLN B 36 11 .446 32 .446 30 .544 1. .00 38 .87

B

ATOM 1184 C GLN B 36 ^•11 .851 27 .415 31 .831 1. , 00 24 .93

B

ATOM 1185 O GLN B 36 11 .735 27 .579 33 .040 1. 00 23 .11

B

ATOM 1186 N CYS B 37 10 .924 26 .815 31 .088 1. 00 27 .02

B

ATOM 1187 CA CYS B 37 -9 .682 26 .302 31 .667 1. 00 27 .91

B

ATOM 1188 C CYS B 37 -8 .913 27 .363 32 .450 1. 00 27 .88

B

ATOM 1189 O CYS B 37 -8 .748 28 .492 31 .985 1. 00 28 .04

B

ATOM 1190 CB CYS B 37 -8 .753 25 .759 30 .578 1. 00 27 .70

B

ATOM 1191 SG CYS B 37 -9 .327 24 .348 29 .571 1. 00 29 .48

B

ATOM 1192 N PRO B 38 -8 .444 27 .013 33 .659 1. 00 27 .69

B

ATOM 1193 CD PRO B 38 -8 .935 25 .875 34 .453 1. 00 27 .47

B

ATOM 1194 CA PRO B 38 - 7 .680 27 .936 34 .510 1. 00 27 .01

B

ATOM 1195 CB PRO B 38 -7 .816 27. ,321 35 .908 1. 00 25 .71

B

ATOM 1196 CG PRO B 38 -9 .056 26. ,493 35 .818 1. 00 26 .93

B

ATOM 1197 C PRO B 38 -6 .212 27. ,984 34 .060 1. 00 27 .10

B

ATOM 1198 O PRO B 38 -5 .904 27. 849 32 .872 1. 00 26 .85

B

ATOM 1199 N SER B 39 -5 .309 28. 182 35 .014 1. 00 27 .58

B

ATOM 1200 CA SER B 39 -3 .886 28. 213 34 .699 1. 00 28 .53

B

ATOM 1201 CB SER B 39 -3 .168 29. 280 35 .529 1. 00 28 .42

B

ATOM 1202 OG SER B 39 -3 .277 29. 008 36 .910 1. 00 29 .06

Σπ>

ATOM 1203 C SER B 39 — 3 .323 26. 839 35 .024 1. 00 27 .59

B

ATOM 1204 O SER B 39 -2 .502 26. 299 34 .282 1. 00 29 .16

B

ATOM 1205 N SER B 40 -3 .790 26. 276 36 .134 1. 00 27 .01

B

ATOM 1206 CA SER B 40 -3 .357 24. 963 36 .580 1. 00 27 .02

B

ATOM 1207 CB SER B 40 -2 .592 25. 084 37 .900 1. 00 27 .82

B

ATOM 1208 OG SER B 40 -2 .081 23. 826 38 .313 1. 00 31 .04

B

ATOM 1209 C SER B 40 -4 .560 24. 044 36 .765 1. 00 26 .53

B 89

ATOM 1210 O SER B 40 -5.592 24.453 37.303 1.00 26.06

B

ATOM 1211 N ALA B 41 -4.418 22.806 36.299 1.00 26.25

B

ATOM 1212 CA ALA B 41 -5.463 21.792 36.406 1.00 26.54

B

ATOM 1213 CB ALA B 41 -5.553 21.306 37.842 1.00 25.38

B

ATOM 1214 C ALA B 41 -6.852 22.211 35.915 1.00 27.08

B

ATOM 1215 O ALA B 41 -7.006 23.140 35.119 1.00 27.99

B

ATOM 1216 N CYS B 42 -7.861 21.504 36.413 1.00 28.00

B

ATOM 1217 CA CYS B 42 -9.251 21.745 36.051 1.00 28.63

B

ATOM 1218 C CYS B 42 -10.047 22.404 37.174 1.00 29.35

B

ATOM 1219 O CYS B 42 -9.894 22.068 38.346 1.00 30.47

B

ATOM 1220 CB CYS B 42 -9.925 20.421 35.669 1.00 27.36

B

ATOM 1221 SG CYS B 42 -9.342 19.707 34.099 1.00 28.68

B

ATOM 1222 N GLN B 43 -10.898 23.346 36.791 1.00 29.37

B

ATOM 1223 CA GLN B 43 -11.763 24.063 37.716 1.00 28.88

B

ATOM 1224 CB GLN B 43 -12.029 25.459 37.136 1.00 31.48

B

ATOM 1225 CG GLN B 43 -13.021 26.329 37.866 1.00 35.37

B

ATOM 1226 CD GLN B 43 -13.066 27.735 37.286 1.00 38.76

ATOM 1227 OEl GLN B 43 -13.267 27.921 36.085 1.00 41.55

B

ATOM 1228 NE2 GLN B 43 -12.873 28.732 38.140 1.00 40.90

B

ATOM 1229 C GLN B 43 -13.043 23.222 37.782 1.00 26.70

B

ATOM 1230 O GLN B 43 -13.487 22.710 36.757 1.00 26.68

B

ATOM 1231 N ASN B 44 -13.619 23.055 38.970 1.00 25.64

B

ATOM 1232 CA ASN B 44 -14.842 22.255 39.122 1.00 25.28

B

ATOM 1233 CB ASN B 44 -16.037 22.975 38.488 1.00 28.41

B

ATOM 1234 CG ASN B 44 -16.827 23.801 39.489 1.00 32.86 a

ATOM 1235 ODl ASN B 44 -17.900 24.313 39.170 1.00 36.62

ATOM 1236 ND2 ASN B 44 -16.303 23.935 40.704 1.00 34.58

B

ATOM 1237 C ASN B 44 -14.728 20.862 38.496 1.00 23.04

B 90

ATOM 1238 O ASN B 44 -15 .638 20 .414 37 .798 1 .00 22 .98 π

D

ATOM 1239 N THR B 45 -13 .623 20 .178 38 .764 1 .00 20 .32 B ATOM 1240 CA THR B 45 -13 .358 18 .853 38 .201 1 .00 18 .04

ATOM 1241 CB THR B 45 -12 .222 18 .163 38 .969 1 .00 17 .82

ATOM 1242 OGl THR B 45 -11 .080 19 .024 38 .986 1 .00 20 .47

R

ATOM 1243 CG2 THR B 45 -11 .843 16 .856 38 .305 1 .00 15 .98

B

ATOM 1244 C THR B 45 -14 .516 17 .861 38 .091 1 .00 14 .98 B ATOM 1245 O THR B 45 -15 .282 17 .661 39 .031 1 .00 13 .12

R

ATOM 1246 N LEU B 46 -14 .619 17 .237 36 .921 1 .00 13 .46

Ώ

ATOM 1247 CA LEU B 46 -15 .647 16 .235 36 .660 1 .00 13 .15 B ATOM 1248 CB LEU B 46 -16 .436 16 .570 35 .391 1 .00 12 .66

ATOM 1249 CG LEU B 46 -16 .940 17 .992 35 .177 1 .00 10 .71

R

ATOM 1250 CDl LEU B 46 -17 .779 18 .031 33 , .913 1 .00 9 .99 B ATOM 1251 CD2 LEU B 46 -17 .748 18 .438 36 .377 1. .00 9 .44

ATOM 1252 C LEU B 46 -14 .972 14. .879 36. .452 1. .00 12 , .39 B ATOM 1253 O LEU B 46 -15 , .496 13. , 842 36. .863 1. , 00 13. ,82

" JDD

ATOM 1254 N ILE B 47 -13. .802 14. ,902 35. 819 1. 00 10. 90

D

ATOM 1255 CA ILE B 47 -13. 073 13. 681 35. 521 1. 00 9. 85

R

ATOM 1256 CB ILE B 47 -13. 362 13. 228 34. 059 1. 00 10. 73 B ATOM 1257 CG2 ILE B 47 -12. 478 12. 037 33. 673 1. 00 9. 14

R

ATOM 1258 CGl ILE B 47 -14. 841 12. 863 33. 905 1. 00 8. 23

ATOM 1259 CDl ILE B 47 -15. 249 11. 642 34. 691 1. 00 6. 91 π

ATOM 1260 C ILE B 47 -11. 565 13. 805 35. 676 1. 00 10. 30 B ATOM 1261 O ILE B 47 -10. 995 14. 887 35. 546 1. 00 10. 13

R

ATOM 1262 N TRP B 48 -10. 935 12. 672 35. 972 1. 00 10. 65

R

ATOM 1263 CA TRP B 48 -9. 484 12. 556 36. 080 1. 00 11. 04

ATOM 1264 CB TRP B 48 -8. 991 12. 637 37. 531 1. 00 11. 27

"D

ATOM 1265 CG TRP B 48 -8. 438 13. 987 37. 918 1. 00 9. 77 B 91

ATOM 1266 CD2 TRP B 48 -7 .252 14 .618 37 .402 1 .00 8 .89

B

ATOM 1267 CE2 TRP B 48 -7 .153 15 .885 38 .015 1 .00 7 .04

B

ATOM 1268 CE3 TRP B 48 -6 .267 14 .235 36 .484 1 .00 7 .57

B

ATOM 1269 CDl TRP B 48 -8 .988 14 .873 38 .795 1 .00 8 .36

B

ATOM 1270 NEl TRP B 48 -8 .226 16 .015 38 .858 1 .00 8 .70

ATOM 1271 CZ2 TRP B 48 -6 .108 16 .778 37 .737 1 .00 7 .14

B

ATOM 1272 CZ3 TRP B 48 -5 .222 15 .128 36 .205 1 .00 8 .18

B

ATOM 1273 CH2 TRP B 48 .155 16 .383 36 .835 1 .00 6 .54

B

ATOM 1274 C TRP B 48 -9 .151 11 .177 35 .527 1 .00 12 .45

B

ATOM 1275 O TRP B 48 -9 .843 10 .190 35 .815 1 .00 11 .85

B

ATOM 1276 N THR B 49 -8 .114 11 .112 34 .705 1 .00 12 .35

B

ATOM 1277 CA THR B 49 -7 .694 9 .837 34 .154 1 .00 13 .70

B

ATOM 1278 CB THR B 49 -7 .760 9 .817 32 .626 1 .00 12 .80

B

ATOM 1279 OGl THR B 49 -6 .611 10 .481 32 .098 1, .00 15 .18

B

ATOM 1280 CG2 THR B 49 -9. .011 10 .526 32 .135 1. .00 12, .97

B

ATOM 1281 C THR B 49 -6. ,245 9, .665 34. .567 1. ,00 14 , , 76

B

ATOM 1282 O THR B 49 -5. ,555 10, , 646 34. .852 1. 00 14. .42

B

ATOM 1283 N ASN B 50 -5. 795 8. ,419 34. 623 1. 00 15. 55 rJ

ATOM 1284 CA ASN B 50 -4. 415 8. 127 34. 977 1. 00 17. 34

B

ATOM 1285 CB ASN B 50 -4. 353 6. 956 35. 952 1. 00 16. 78

B

ATOM 1286 CG ASN B 50 -4. 970 5. 693 35. 384 1. 00 17. 48

B

ATOM 1287 ODl ASN B 50 -4. 947 4. 647 36. 026 1. 00 17. 43

ATOM 1288 ND2 ASN B 50 •5. 529 5. 785 34. 176 1. 00 15. 31

B

ATOM 1289 C ASN B 50 683 7. 776 33. 684 1. 00 18. 42

B

ATOM 1290 O ASN B 50 -2. 555 7. 294 33. 699 1. 00 19. 70 ATOM 1291 N GLY B 51 347 8. 020 32. 563 1. 00 19. 01

B

ATOM 1292 CA GLY B 51 3. 748 7. 732 31. 276 1. 00 21. 53

B

ATOM 1293 C GLY B 51 4. 495 6. 658 30. 512 1. 00 23. 08 92

ATOM 1294 O GLY B 51 -4 .665 6 .762 29 .295 1 .00 24 .30

B

ATOM 1295 N HIS B 52 -4 .953 5 .632 31 .223 1 .00 23 .32

B

ATOM 1296 CA HIS B 52 -5 .670 4 .533 30 .588 1 .00 24 .25

B

ATOM 1297 CB HIS B 52 -4 .830 3 .264 30 .680 1 .00 27 .68

B

ATOM 1298 CG HIS B 52 -4 .091 3 .129 31 .972 1 .00 31 .14

.D

ATOM 1299 CD2 HIS B 52 -2 .945 3 .707 32 .405 1 .00 32 .76

B

ATOM 1300 NDl HIS B 52 -4 .535 2 .333 33 .006 1 .00 32 .35 π JD

ATOM 1301 CEl HIS B 52 -3 .692 2 .425 34 .020 1 .00 33 .66

B

ATOM 1302 NE2 HIS B 52 - 2 .719 3 .253 33 .681 1 .00 33 .05

B

ATOM 1303 C HIS B 52 -7 .077 4 .262 31 .111 1 .00 23 .21

B

ATOM 1304 O HIS B 52 -7 .832 3 .517 30 .492 1 .00 23 .77

B

ATOM 1305 N ARG B 53 -7 .439 4 .857 32 .240 1 .00 22 .40

B

ATOM 1306 CA ARG B 53 — o .773 4 .648 32. .780 1 .00 21 .23

B

ATOM 1307 CB ARG B 53 -8 .859 3. .306 33. .525 1 .00 23 .67

B

ATOM 1308 CG ARG B 53 -8 .299 3. ,308 34. , 941 1, .00 27 .86 rS ATOM 1309 CD ARG B 53 -8 .655 2. , 007 35. .666 1. .00 31 .66

B

ATOM 1310 NE ARG B 53 .609 2. 143 37. 122 1. .00 34 .58

B

ATOM 1311 CZ ARG B 53 -7 .493 2. 240 37. 842 1. 00 36 .46

B

ATOM 1312 NHl ARG B 53 -6 .305 2. 209 37. 249 1. 00 36 .91

B

ATOM 1313 NH2 ARG B 53 -7 .568 2. 378 39. 159 1. 00 37 .39

B

ATOM 1314 C ARG B 53 -9 .165 5. 778 33. 711 1. 00 18 .92

B

ATOM 1315 O ARG B 53 -8 .307 6. 478 34. 242 1. 00 18 .79

B

ATOM 1316 N VAL B 54 10 .470 5. 947 33. 895 1. 00 16 .98

B

ATOM 1317 CA VAL B 54 11 . Oil 6. 984 34. 765 1. 00 15 .03

B

ATOM 1318 CB VAL B 54 12 .546 7. 105 34. 575 1. 00 13 .09

B

ATOM 1319 CGl VAL B 54 13 .127 8. 122 35. 545 1. 00 10 .62

B

ATOM 1320 CG2 VAL B 54 12 .849 7. 509 33. 138 1. 00 12 .00

B

ATOM 1321 C VAL B 54 10 .691 6. 655 36. 224 1. 00 14 .63

B 93

ATOM 1322 O VAL B 54 -10 .903 5 .531 36 .673 1. 00 13 .70 B ATOM 1323 N THR B 55 -10 .166 7 .637 36 .951 1. 00 15 .43 π

ATOM 1324 CA THR B 55 -9 .809 7 .454 38 .354 1. 00 16 .26

ATOM 1325 CB THR B 55 -8 .338 7 .817 38 .608 1. 00 17 .03

ATOM 1326 OGl THR B 55 -8 .085 9 .127 38 .086 1. 00 16 .50

ATOM 1327 CG2 THR B 55 -7 .404 6 .802 37 .946 1. 00 16 .79

ATOM 1328 C THR B 55 -10 .675 8 .326 39 .252 1. 00 16 .67 ATOM 1329 O THR B 55 -10 .722 8 .129 40 .469 1. 00 16 .97 B ATOM 1330 N TYR B 56 -11 .342 9 .303 38 .646 1. 00 17 .73

ATOM 1331 CA TYR B 56 -12 .225 10 .206 39 .374 1. 00 17 .44

ATOM 1332 CB TYR B 56 -11 .507 11 .504 39 .776 1. 00 16 .61 B ATOM 1333 CG TYR B 56 -12 .438 12, .495 40 .448 1. 00 15 .19 π hi ATOM 1334 CDl TYR B 56 -12 .869 12. .297 41 .759 1. 00 15 .48 B ATOM 1335 CEl TYR B 56 -13 .811 13. .142 42 .349 1. 00 15 .74 B ATOM 1336 CD2 TYR B 56 -12 .962 13. .573 39 .743 1. 00 14 .16 π hi ATOM 1337 CE2 TYR B 56 -13 .903 14. .422 40 .316 1. 00 14 .16 B ATOM 1338 CZ TYR B 56 -14 .330 14. 197 41 .618 1. 00 16 .09 B ATOM 1339 OH TYR B 56 -15 .322 14. 983 42 .163 1. 00 15 .43 B ATOM 1340 C TYR B 56 -13 .418 10. 547 38 .498 1. 00 17 .72 rs ATOM 1341 O TYR B 56 -13 .271 10. 918 37 .334 1. 00 18 .32 B ATOM 1342 N GLN B 57 -14 .603 10. 415 39 .077 1. 00 18 .67 B ATOM 1343 CA GLN B 57 -15 .852 10. 682 38 .386 1. 00 17 .73 a ATOM 1344 CB GLN B 57 -16 .477 9. 361 37 .947 1. 00 17 .28 B ATOM 1345 CG GLN B 57 -17 .868 9. 491 37 .396 1. 00 19 .88 B ATOM 1346 CD GLN B 57 -18 .411 8. 174 36 .885 1. 00 21 .63

D

ATOM 1347 OEl GLN B 57 -18 .345 7. 154 37 .573 1. 00 24 .41

ATOM 1348 NE2 GLN B 57 -18 .966 8. 189 35 .676 1. 00 22 .10 B ATOM 1349 C GLN B 57 -16 .774 11. 418 39 .354 1. 00 18 .40 B 94

ATOM 1350 O GLN B 57 -17 .314 10 .828 40 .291 1 .00 19 .03 B ATOM 1351 N LYS B 58 -16 .941 12 .714 39 .123 1 .00 17 .62 B ATOM 1352 CA LYS B 58 -17 .773 13 .549 39 .973 1 .00 17 .25

ATOM 1353 CB LYS B 58 -17 .723 14 .991 39 .469 1 .00 19 .20

ATOM 1354 CG LYS B 58 -18 .758 15 .904 40 .083 1 .00 21 .54 B ATOM 1355 CD LYS B 58 -18 .500 16 .177 41 .550 1 .00 23 .95

ATOM 1356 CE LYS B 58 -19 .655 16 .986 42 .141 1 .00 26 .24 B ATOM 1357 NZ LYS B 58 -19 .453 17 .303 43 .585 1 .00 28 .75 B ATOM 1358 C LYS B 58 -19 .219 13 .072 40 .047 1 .00 16 .54

ATOM 1359 O LYS B 58 -19 .874 13 .201 41 .078 1 .00 15 .29

R

ATOM 1360 N SER B 59 -19 .713 12 .526 38 .946 1 .00 15 .12

R

ATOM 1361 CA SER B 59 -21 .080 12 .029 38 .878 1 .00 14 .57 B ATOM 1362 CB SER B 59 -22 .021 13 .155 38. .456 1. .00 14 .80 B ATOM 1363 OG SER B 59 -23 .330 12 .668 38. .214 1. .00 17 .81

R

ATOM 1364 C SER B 59 -21 .138 10 .892 37. , 859 1, , 00 14 .62

R

ATOM 1365 O SER B 59 -20 .382 10. .890 36. 890 1. 00 15 .18 B ATOM 1366 N SER B 60 -22, .027 9. .925 38. 073 1. 00 15. .05

ATOM 1367 CA SER B 60 -22. , 149 8. 799 37. 147 1. 00 15. ,82 B ATOM 1368 CB SER B 60 -23. 126 7. 751 37. 700 1. 00 15. 35

ATOM 1369 OG SER B 60 -24. 450 8. 261 37. 776 1. 00 16. 04 B ATOM 1370 C SER B 60 -22. 606 9. 237 35. 748 1. 00 16. 74

ATOM 1371 O SER B 60 -22. 506 8. 461 34. 799 1. 00 15. 91

R

ATOM 1372 N ARG B 61 -23. 102 10. 470 35. 624 1. 00 16. 26

"D

ATOM 1373 CA ARG B 61 -23. 560 10. 975 34. 333 1. 00 16. 83

ATOM 1374 CB ARG B 61 -24. 477 12. 189 34. 505 1. 00 17. 05

ATOM 1375 CG ARG B 61 -25. 840 11. 907 35. 112 1. 00 18. 03

ATOM 1376 CD ARG B 61 -26. 809 13. 042 34. 772 1. 00 16. 91 B ATOM 1377 NE ARG B 61 -26. 210 14. 347 35. 029 1. 00 16. 52 B 95

ATOM 1378 CZ ARG B 61 -26 .216 15 .363 34 .169 1 .00 16 .70

ATOM 1379 NHl ARG B 61 -26 .796 15 .240 32 .980 1 .00 15 .09 ATOM 1380 NH2 ARG B 61 -25 .627 16 .506 34 .495 1 .00 15 .39 n ATOM 1381 C ARG B 61 -22 .398 11 .387 33 .434 1 .00 18 .09 B ATOM 1382 O ARG B 61 -22 .597 11 .716 32 .263 1 .00 17 .11

ATOM 1383 N TYR B 62 -21 .191 11 .391 33 .988 1 .00 18 .29 B ATOM 1384 CA TYR B 62 -20 .011 11 .777 33 .228 1 .00 19 .28 B ATOM 1385 CB TYR B 62 -19 .179 12 .784 34 .020 1 .00 19 .63

ATOM 1386 CG TYR B 62 -19 .923 14 .049 34 .350 1 .00 21 .44

ATOM 1387 CDl TYR B 62 -20 .275 14 .350 35 .662 1 .00 22 .04 B ATOM 1388 CEl TYR B 62 -20 .955 15 .526 35 .973 1 .00 22 .91

ATOM 1389 CD2 TYR B 62 -20 .272 14 .952 33 .347 1 .00 22 .62 B ATOM 1390 CE2 TYR B 62 -20 .954 16 .129 33 .643 1. .00 23 .68 p

ATOM 1391 CZ TYR B 62 -21 .291 16 .410 34 .959 1, .00 23 .29 B ATOM 1392 OH TYR B 62 -21. .955 17 .573 35 .255 1 _c .00 23 .06

ATOM 1393 C TYR B 62 -19. ,161 10. .564 32 .909 1. .00 19. .75 B ATOM 1394 O TYR B 62 -18. 673 9. , 885 33 .816 1. 00 17. ,68 B ATOM 1395 N ASN B 63 -18. 981 10. 302 31. .619 1. 00 20. 23

ATOM 1396 CA ASN B 63 -18. 188 9. 163 31. ,182 1. 00 21. 05

ATOM 1397 CB ASN B 63 -19. 093 7. 977 30. 851 1. 00 22. 72 B ATOM 1398 CG ASN B 63 -19. 759 7. 390 32. 068 1. 00 25. 16 α JD

ATOM 1399 ODl ASN B 63 -19. 092 6. 873 32. 962 1. 00 27. 98

R

ATOM 1400 ND2 ASN B 63 -21. 088 7. 457 32. 109 1. 00 25. 65 B ATOM 1401 C ASN B 63 -17. 317 9. 422 29. 964 1. 00 19. 78

ATOM 1402 O ASN B 63 -17. 627 10. 260 29. 124 1. 00 18. 18

R

ATOM 1403 N LEU B 64 -16. 217 8. 684 29. 892 1. 00 19. 92

R

ATOM 1404 CA LEU B 64 -15. 309 8. 736 28. 759 1. 00 21. 08

^"R

ATOM 1405 CB LEU B 64 -13. 868 8. 950 29. 232 1. 00 19. 62 B 96

ATOM 1406 CG LEU B 64 -13 .422 10 .407 29 .448 1 .00 19 .4C

" IDJ

ATOM 1407 CDl LEU B 64 -14 .356 11 .133 30 .409 1 .00 16 .24

B

ATOM 1408 CD2 LEU B 64 -11 .999 10 .415 29 .974 1 .00 16 .61

B

ATOM 1409 C LEU B 64 -15 .471 7 .359 28 .103 1 .00 22 .19

D

ATOM 1410 O LEU B 64 -14 .864 6 .385 28 .537 1 .00 22 .02

B

ATOM 1411 N LYS B 65 -16 .311 7 .283 27 .072 1 .00 23 .63

B

ATOM 1412 CA LYS B 65 -16 .577 6 .024 26 .389 1 .00 25 .17

B

ATOM 1413 CB LYS B 65 -17 .986 6 .039 25 .795 1 .00 26 .47

"R

ATOM 1414 CG LYS B 65 -19 .075 5 .762 26 .815 1 .00 28 .55

B

ATOM 1415 CD LYS B 65 -19 .732 7 .034 27 .283 1 .00 30 .75

B

ATOM 1416 CE LYS B 65 -20 .754 7 .491 26 .266 1 .00 32 .52

ATOM 1417 NZ LYS B 65 -21 .836 6 .477 26 .116 1 .00 33 .45

B

ATOM 1418 C LYS B 65 -15 .594 5 .588 25 .308 1 .00 26 .28

B

ATOM 1419 O LYS B 65 -15 .599 4 .422 24 .904 1 .00 26 .81

B

ATOM 1420 N GLY B 66 -14. .758 6 .505 24. .837 1. .00 26 .78

B

ATOM 1421 CA GLY B 66 -13. .805 6 .146 23. , 799 1 , .00 26. .95

B

ATOM 1422 C GLY B 66 ^■12 . .646 5. .298 24. 287 1. 00 27. .55

B

ATOM 1423 O GLY B 66 ^■12. 564 4. .951 25. 463 1. 00 26. .78

B

ATOM 1424 N HIS B 67 ^•11. 750 4. 948 23. 370 1. 00 28. 85

B

ATOM 1425 CA HIS B 67 ^■10. 574 4. 156 23. 719 1. 00 29. 08

B

ATOM 1426 CB HIS B 67 -9. 935 3. 537 22. 470 1. 00 31. 99

B

ATOM 1427 CG HIS B 67 ^•10. 900 2. 811 21. 580 1. 00 37. 26

B

ATOM 1428 CD2 HIS B 67 12. 255 2. 769 21. 574 1. 00 38. 90

B

ATOM 1429 NDl HIS B 67 ^■10. 488 2. 041 20. 514 1. 00 39. 46

B

ATOM 1430 CEl HIS B 67 11. 548 1. 559 19. 885 1. 00 39. 44

B

ATOM 1431 NE2 HIS B 67 12. 630 1. 985 20. 508 1. 00 38. 92

B

ATOM 1432 C HIS B 67 -9. 608 5. 151 24. 355 1. 00 27. 36

B

ATOM 1433 O HIS B 67 -8. 790 5. 773 23. 670 1. 00 26. 40

B 97

ATOM 1434 N ILE B 68 -9 .726 5 .304 25 .669 1 .00 25 .66

B

ATOM 1435 CA ILE B 68 -8 .905 6 .238 26 .430 1 .00 24 .43 rs ATOM 1436 CB ILE B 68 -9 .200 6 .100 27 .930 1 .00 23 .29

B

ATOM 1437 CG2 ILE B 68 -8 .322 7 .047 28 .723 1 .00 22 .93

B

ATOM 1438 CGl ILE B 68 10 .684 6 .385 28 .181 1 .00 22 .62

B

ATOM 1439 CDl ILE B 68 11 .142 6 .101 29 .592 1 .00 21 .48

B

ATOM 1440 C ILE B 68 -7 .403 6 .116 26 .203 1 .00 24 .20

B

ATOM 1441 O ILE B 68 -6 .738 7 .103 25 .868 1 .00 22 .98

B

ATOM 1442 N SER B 69 -6 .867 4 .911 26 .378 1 .00 24 .77

B

ATOM 1443 CA SER B 69 -5 .432 4 .687 26 .200 1 .00 24 .73 hi ATOM 1444 CB SER B 69 -5 .070 3 .247 26 .603 1 .00 24 .26

B

ATOM 1445 OG SER B 69 -5 .651 2 .304 25 .723 1 .00 26 .45

B

ATOM 1446 C SER B 69 -4 .947 4 .983 24 .770 1 .00 24 .38

B

ATOM 1447 O SER B 69 -3 .746 5 .064 24. .517 1 .00 24 .02

B

ATOM 1448 N GLU B 70 -5. .883 5 .143 23. , 840 1 .00 25, .61

B

ATOM 1449 CA GLU B 70 -5 , , 541 5 , .441 22. ,451 1 .00 25 , ,79

B

ATOM 1450 CB GLU B 70 -6. .613 4. ,897 21. 499 1. .00 28. 00

B

ATOM 1451 CG GLU B 70 -6. 698 3. .383 21. 431 1. .00 31. 23

B

ATOM 1452 CD GLU B 70 -5. 371 2. 743 21. 051 1. ,00 33. 86

B

ATOM 1453 OEl GLU B 70 -4. 511 2. 562 21. 942 1. 00 33. 21

B

ATOM 1454 OE2 GLU B 70 - 5 183 2. 432 19. 856 1. 00 34. 61

B

ATOM 1455 C GLU B 70 -5. 414 6. 947 22. 235 1. 00 24. 62

B

ATOM 1456 O GLU B 70 -4. 784 7. 392 21. 273 1. 00 24. 90 πa ATOM 1457 N GLY B 71 -6. 028 7. 724 23. 125 1. 00 22. 39

B

ATOM 1458 CA GLY B 71 -5. 974 9. 167 23. 000 1. 00 19. 41

B

ATOM 1459 C GLY B 71 -7. 344 9. 812 22. 929 1. 00 17. 41

D

ATOM 1460 O GLY B 71 -7. 453 11. 035 22. 865 1. 00 17. 72

B

ATOM 1461 N ASP B 72 -8. 399 9. 005 22. 937 1. 00 16. 09

B 98

ATOM 1462 CA ASP B 72 -9 .750 9 .560 22 .887 1 .00 15 .42

B

ATOM 1463 CB ASP B 72 -10 .691 8 .646 22 .109 1 .00 16 .24

B ATOM 1464 CG ASP B 72 -12 .040 9 .294 21 .845 1 .00 17 .05

B ATOM 1465 ODl ASP B 72 -12 .321 10 .365 22 .423 1 .00 17 .69

B ATOM 1466 OD2 ASP B 72 -12 .827 8 .732 21 .059 1 .00 19 .26

B ATOM 1467 C ASP B 72 -10 .307 9 .749 24 .292 1 .00 14 .69

B ATOM 1468 O ASP B 72 -10 .877 8 .815 24 .868 1 .00 14 .95

ATOM 1469 N VAL B 73 -10 .140 10 .949 24 .845 1 .00 13 .35 a ATOM 1470 CA VAL B 73 -10 .641 11 .244 26 .184 1 .00 12 .49 B ATOM 1471 CB VAL B 73 -9 .580 11 .956 27 .052 1 .00 10 .91

B

ATOM 1472 CGl VAL B 73 .426 11 .013 27 .330 1 .00 11 .97

Ji ATOM 1473 CG2 VAL B 73 -9 .088 13 .214 26 .353 1 .00 9 .13

ATOM 1474 C VAL B 73 -11 .874 12 .131 26 .107 1 .00 14 .05 r5

ATOM 1475 O VAL B 73 -12, .007 13 .095 26 .872 1 .00 14 .09 a ATOM 1476 N SER B 74 -12. ,776 11, , 802 25 .182 1 .00 13 .06 a

ATOM 1477 CA SER B 74 -13. , 998 12 , ,574 25 .005 1 .00 11 .82 B ATOM 1478 CB SER B 74 -14. 633 12. ,237 23 .661 1 .00 12 .22

ATOM 1479 OG SER B 74 -13. 762 12. 593 22 .602 1 .00 10 .28

JtS

ATOM 1480 C SER B 74 -15. 005 12. 361 26 .137 1 .00 11 .89 B ATOM 1481 O SER B 74 -15. 268 11. 234 26 .561 1 .00 11 .71

ATOM 1482 N LEU B 75 -15. 562 13. 464 26 .625 1 .00 11 .23

"R

ATOM 1483 CA LEU B 75 -16. 532 13. 430 27 .707 1 .00 9 .57 B ATOM 1484 CB LEU B 75 -16. 447 14. 717 28 .525 1 .00 9 .62 B ATOM 1485 CG LEU B 75 -17. 567 14. 954 29 .545 1 .00 9 .43

ATOM 1486 CDl LEU B 75 -17. 449 13. 947 30 .694 1 .00 10 .60

ATOM 1487 CD2 LEU B 75 -17. 481 16. 378 30 .062 1 .00 8 .10

^"R

ATOM 1488 C LEU B 75 -17. 949 13. 280 27 .184 1 .00 11 .17

ATOM 1489 O LEU B 75 -18. 364 13. 993 26 .267 1, .00 9. .95 B 99

ATOM 1490 N THR B 76 -18 .696 12. 353 27. , 769 1 .00 12 .94 B ATOM 1491 CA THR B 76 -20 .080 12. 146 27. .369 1 .00 14 .82

ATOM 1492 CB THR B 76 -20 .312 10. 723 26. , 842 1 .00 14 .02 a

ATOM 1493 OGl THR B 76 -19 .619 10. 560 25. .599 1 .00 11 .96

B ATOM 1494 CG2 THR B 76 -21 .807 10. 467 26. 636 1 .00 14 .51

ATOM 1495 C THR B 76 -20 .975 12. 376 28. 578 1 .00 16 .72 π

ATOM 1496 O THR B 76 -20 .768 11. 780 29. 632 1 .00 18 .49

ATOM 1497 N ILE B 77 -21 .956 13. 255 28. 428 1 .00 17 .58 πrs ATOM 1498 CA ILE B 77 -22 .874 13. 558 29. 514 1 .00 19 .06 B ATOM 1499 CB ILE B 77 -23 .153 15. 081 29. 591 1 .00 18 .11

ATOM 1500 CG2 ILE B 77 -23 .895 15. 418 30. 855 1 .00 17 .41 B ATOM 1501 CGl ILE B 77 -21 .836 15. 856 29. 587 1 .00 19 .00

Ώ

ATOM 1502 CDl ILE B 77 -22 .011 17. 361 29. 592 1 .00 18 .32

ATOM 1503 C ILE B 77 -24 .167 12. 801 29. 227 1. .00 20 .87 B ATOM 1504 O ILE B 77 -24 .834 13. 066 28. 232 1. .00 20 .42 a ATOM 1505 N GLU B 78 -24 .497 11. 839 30. 085 1. , 00 24 .07 n ATOM 1506 CA GLU B 78 -25 .710 11. 033 29. 926 1. 00 26 .20

D

ATOM 1507 CB GLU B 78 -25 .745 9. 896 30. 957 1. 00 27, .15

D

ATOM 1508 CG GLU B 78 -24 .626 8. 879 30. 833 1. 00 31. .50

D

ATOM 1509 CD GLU B 78 -24 .609 8. 189 29. 476 1. 00 33. ,86

ATOM 1510 OEl GLU B 78 -25 .676 7. 702 29. 040 1. 00 36. ,37

ATOM 1511 OE2 GLU B 78 -23 .528 8. 128 28. 848 1. 00 34. 33

ATOM 1512 C GLU B 78 -26 .955 11. 893 30. 111 1. 00 26. 82 B ATOM 1513 O GLU B 78 -26 .940 12. 858 30. 879 1. 00 26. 61 B ATOM 1514 N ASN B 79 -28 .030 11. 527 29. 415 1. 00 27. 53 π D

ATOM 1515 CA ASN B 79 -29 .295 12. 251 29. 499 1. 00 28. 11 B ATOM 1516 CB ASN B 79 -30 .225 11. 583 30. 517 1. 00 30. 33

T D3

ATOM 1517 CG ASN B 79 -30 .626 10. 179 30. 106 1. 00 33. 27 B 100

ATOM 1518 ODl ASN B 79 -29 .847 9 .233 30 .240 1 .00 35 .26

ATOM 1519 ND2 ASN B 79 -31 .846 10 .038 29 .590 1 .00 34 .19

ATOM 1520 C ASN B 79 -29 .075 13 .705 29 .895 1 .00 27 .67

ATOM 1521 O ASN B 79 -29 .268 14 .079 31 .056 1 .00 27 .83

B

ATOM 1522 N SER B 80 -28 .672 14 .515 28 .922 1 .00 25 .85

ATOM 1523 CA SER B 80 -28 .403 15 .925 29 .156 1 .00 23 .83

B ATOM 1524 CB SER B 80 -27 .731 16 .537 27 .933 1 .00 23 .97

ATOM 1525 OG SER B 80 -28 .607 16 .498 26 .825 1 .00 21 .30 a

ATOM 1526 C SER B 80 -29 .659 16 .718 29 .460 1 .00 22 .58

JD

ATOM 1527 O SER B 80 -30 .770 16 .277 29 .175 1 .00 22 .90

B

ATOM 1528 N VAL B 81 -29 .463 17 .892 30 .048 1 .00 21 .46

ATOM 1529 CA VAL B 81 -30 .550 18 .801 30 .379 1 .00 20 .35

ATOM 1530 CB VAL B 81 -31 .028 18 .645 31 .831 1 .00 19 .80

B

ATOM 1531 CGl VAL B 81 -31. .651 17, .284 32 , .035 1, .00 20 .55

"R

ATOM 1532 CG2 VAL B 81 -29, .868 18 .856 32 , .782 1, .00 21 .93

ATOM 1533 C VAL B 81 -30. ,031 20 , .218 30. , 208 1. , 00 19 , , 93

ATOM 1534 O VAL B 81 -28. 821 20. ,446 30. 156 1. 00 21. ,09

ATOM 1535 N GLU B 82 -30. 952 21. 167 30. 130 1. 00 19. 64

ATOM 1536 CA GLU B 82 -30. 606 22. 570 29. 959 1. 00 18. 34

ATOM 1537 CB GLU B 82 -31. 853 23. 437 30. 134 1. 00 20. 00

ATOM 1538 CG GLU B 82 -32. 990 23. 042 29. 198 1. 00 22. 78

B

ATOM 1539 CD GLU B 82 -33. 866 21. 924 29. 758 1. 00 24. 97

ATOM 1540 OEl GLU B 82 -33. 348 21. 007 30. 438 1. 00 22. 99

R

ATOM 1541 OE2 GLU B 82 -35. 087 21. 963 29. 500 1. 00 27. 39

ATOM 1542 C GLU B 82 -29. 511 23. 040 30. 908 1. 00 17. 21

ATOM 1543 O GLU B 82 -28. 661 23. 840 30. 517 1. 00 17. 35

ATOM 1544 N SER B 83 -29. 519 22. 536 32. 142 1. 00 16. 69

ATOM 1545 CA SER B 83 -28. 515 22. 923 33. 143 1. 00 16. 56 B 101

ATOM 1546 CB SER B 83 -28 .948 22 .468 34 .536 1 .00 17 .97

B

ATOM 1547 OG SER B 83 -29 .996 23 .279 35 .027 1 .00 21 .12

B

ATOM 1548 C SER B 83 -27 .087 22 .429 32 .881 1 .00 16 .19 a ATOM 1549 O SER B 83 -26 .177 22 .716 33 .656 1 .00 15 .55

B

ATOM 1550 N ASP B 84 -26 .888 21 .681 31 .803 1 .00 14 .75

B

ATOM 1551 CA ASP B 84 -25 .555 21 .206 31 .474 1 .00 13 .64

B

ATOM 1552 CB ASP B 84 -25 .622 19 .853 30 .759 1 .00 14 .53

B

ATOM 1553 CG ASP B 84 -26 .104 18 .738 31 .666 1 .00 13 .93

B

ATOM 1554 ODl ASP B 84 -25 .619 18 .668 32 .811 1 .00 15 .51

B

ATOM 1555 OD2 ASP B 84 -26 .956 17 .929 31 .238 1 .00 14 .73

B

ATOM 1556 C ASP B 84 -24 .863 22 .231 30 .582 1 .00 13 .21

B

ATOM 1557 O ASP B 84 -23 .656 22 .161 30 .359 1 .00 14 .10

B

ATOM 1558 N SER B 85 -25 .634 23 .186 30 .071 1 .00 12 .94

B

ATOM 1559 CA SER B 85 -25 .087 24 .227 29. .207 1 .00 11 .49

B

ATOM 1560 CB SER B 85 -26 .192 25. .189 28. , 758 1. .00 12 .00

B

ATOM 1561 OG SER B 85 -27 .201 24. .515 28. .017 1. , 00 10 .90

B

ATOM 1562 C SER B 85 -24. .033 24. .990 29. 987 1. 00 11 .47

B

ATOM 1563 O SER B 85 -24. .143 25. 130 31. 205 1. 00 10 , .98

B

ATOM 1564 N GLY B 86 -23. 012 25. 471 29. 284 1. 00 11. ,30

B

ATOM 1565 CA GLY B 86 ^■21. 947 26. 215 29. 929 1. 00 10. 94

B

ATOM 1566 C GLY B 86 -20. 602 25. 898 29. 303 1. 00 13. 74

B

ATOM 1567 O GLY B 86 ^■20. 536 25. 201 28. 285 1. 00 13. 63

B

ATOM 1568 N LEU B 87 ^■19 . 526 26. 405 29. 902 1. 00 14. 67

B

ATOM 1569 CA LEU B 87 ^■18 . 185 26. 162 29. 381 1. 00 15. 45

B

ATOM 1570 CB LEU B 87 ^■17. 302 27. 392 29. 591 1. 00 15. 59

B

ATOM 1571 CG LEU B 87 17. 705 28. 679 28. 864 1. 00 16. 24

B

ATOM 1572 CDl LEU B 87 16. 649 29. 753 29. 110 1. 00 16. 42

B

ATOM 1573 CD2 LEU B 87 17. 846 28. 415 27. 372 1. 00 15. 25

B 102

ATOM 1574 C LEU B 87 -17 .534 24 .960 30 .052 1 .00 16 .31

ATOM 1575 O LEU B 87 -17 .704 24 .742 31 .250 1 .00 17 .90 rJ ATOM 1576 N TYR B 88 -16 .797 24 .174 29 .273 1 .00 16 .93

B ATOM 1577 CA TYR B 88 -16 .105 23 .000 29 .798 1 .00 15 .14

ATOM 1578 CB TYR B 88 -16 .758 21 .709 29 .315 1 .00 12 .75

ATOM 1579 CG TYR B 88 -18 .114 21 .445 29 .916 1 .00 12 .75

B

ATOM 1580 CDl TYR B 88 -19 .250 22 .096 29 .442 1 .00 11 .08 B ATOM 1581 CEl TYR B 88 -20 .503 21 .838 29 .990 1 .00 12 .71

ATOM 1582 CD2 TYR B 88 -18 .263 20 .529 30 .960 1 .00 13 .63

ATOM 1583 CE2 TYR B 88 -19 .506 20 .264 31 .517 1 .00 13 .44 ri

ATOM 1584 CZ TYR B 88 -20. .623 20 .919 31 .029 1 .00 13 .98 hi ATOM 1585 OH TYR B 88 -21 .853 20 .648 31 .583 1 .00 13 .86 B ATOM 1586 C TYR B 88 -14 .644 23 .002 29 .377 1 .00 15 .50

ATOM 1587 O TYR B 88 -14. , 289 23 .484 28 , .299 1 , .00 13 .81

ATOM 1588 N CYS B 89 -13. .801 22. .450 30, ,239 1. .00 16 .09 a ATOM 1589 CA CYS B 89 -12. .382 22, .394 29, , 976 1. , 00 16 .46 B ATOM 1590 C CYS B 89 -11. 871 20. .965 29. 927 1. 00 16 .84

ATOM 1591 O CYS B 89 -12. 184 20. 152 30. 799 1. 00 17 .10 B ATOM 1592 CB CYS B 89 -11. 615 23. 151 31. 062 1. 00 19 .98 B ATOM 1593 SG CYS B 89 -9. 819 22. 917 30. 919 1. 00 24 .93

ATOM 1594 N CYS B 90 -11. 096 20. 668 28. 890 1. 00 15 .50

ATOM 1595 CA CYS B 90 -10. 473 19. 361 28. 735 1. 00 16 .69 B ATOM 1596 C CYS B 90 994 19. 701 28. 658 1. 00 15 .85 rS

ATOM 1597 O CYS B 90 -8. 548 20. 346 27. 708 1. 00 15 .74

ATOM 1598 CB CYS B 90 -10. 934 18. 670 27. 446 1. 00 17 .20

ATOM 1599 SG CYS B 90 -10. 062 17. 109 27. 067 1. 00 19 .36

ATOM 1600 N ARG B 91 -8. 243 19. 294 29. 674 1. 00 16 .10

_R

ATOM 1601 CA ARG B 91 -6. 814 19. 584 29. 731 1. 00 15 .36 103

ATOM 1602 CB ARG B 91 -6 .489 20 .369 31 .008 1 .00 14 .84

B

ATOM 1603 CG ARG B 91 -5 .029 20 .747 31 .139 1 .00 16 .35

R

ATOM 1604 CD ARG B 91 -4 .693 21 .117 32 .557 1 .00 14 .98

B

ATOM 1605 NE ARG B 91 -5 .101 22 .472 32 .887 1 .00 15 .85

B

ATOM 1606 CZ ARG B 91 -4 .298 23 .529 32 .827 1 .00 13 .65

B

ATOM 1607 NHl ARG B 91 -3 .038 23 .388 32 .445 1 .00 10 .96

B

ATOM 1608 NH2 ARG B 91 -4 .752 24 .726 33 .179 1 .00 15 .51

B

ATOM 1609 C ARG B 91 -5 .993 18 .302 29 .697 1 .00 15 .37

B

ATOM 1610 O ARG B 91 -6 .246 17 .374 30 .475 1 .00 15 .61

B

ATOM 1611 N VAL B 92 -5 .011 18 .260 28 .796 1 .00 13 .83

B

ATOM 1612 CA VAL B 92 -4 .144 17 .095 28 .657 1 .00 15 .03

B

ATOM 1613 CB VAL B 92 -4 .202 16 .530 27 .225 1 .00 13 .90 rS

ATOM 1614 CGl VAL B 92 -3 .265 15 .338 27 .094 1 .00 12 .43

B

ATOM 1615 CG2 VAL B 92 -5 .625 16. .110 26 .902 1 .00 12 .44

B

ATOM 1616 C VAL B 92 -2 .690 17. .400 29. .023 1, .00 16 .58

B

ATOM 1617 O VAL B 92 -1 .973 18. 092 28. .299 1. , 00 17. .32

B

ATOM 1618 N GLU B 93 -2 .260 16. 859 30. ,154 1. 00 17. ,67

Dπ

ATOM 1619 CA GLU B 93 -0. .912 17. 078 30. 647 1. 00 17. 65

B

ATOM 1620 CB GLU B 93 -0. ,834 16. 624 32. 107 1. 00 15. 29

B

ATOM 1621 CG GLU B 93 -1. 866 17. 313 32. 987 1. 00 13. 95

B

ATOM 1622 CD GLU B 93 -1. 602 17. 129 34. 469 1. 00 13. 35

-D

ATOM 1623 OEl GLU B 93 -1. 908 16. 040 35. 014 1. 00 12. 60

B

ATOM 1624 OE2 GLU B 93 -1. 076 18. 081 35. 088 1. 00 11. 66

B

ATOM 1625 C GLU B 93 0. 157 16. 384 29. 812 1. 00 18. 80

B

ATOM 1626 O GLU B 93 0. 625 15. 304 30. 152 1. 00 18. 91

B

ATOM 1627 N ILE B 94 0. 550 17. 029 28. 722 1. 00 20. 72

B

ATOM 1628 CA ILE B 94 1. 567 16. 496 27. 818 1. 00 20. 57 π JD

ATOM 1629 CB ILE B 94 1. 363 17. 037 26. 398 1. 00 20. 72

B 104

ATOM 1630 CG2 ILE B 94 0 .179 16 .343 25 .731 1 .00 19 .80 Ώ

ATOM 1631 CGl ILE B 94 1 .165 18 .552 26 .468 1 .00 20 .18 B ATOM 1632 CDl ILE B 94 0 .853 19 .190 25 .136 1 .00 24 .76 a

ATOM 1633 C ILE B 94 2 .980 16 .877 28 .253 1 .00 22 .08 π

ATOM 1634 O ILE B 94 3 .164 17 .803 29 .050 1 .00 20 .58 Ώ

ATOM 1635 N PRO B 95 4 .000 16 .157 27 .737 1 .00 23 .89 B ATOM 1636 CD PRO B 95 3 .907 14 .968 26 .868 1 .00 23 .77 B ATOM 1637 CA PRO B 95 5 .401 16 .437 28 .074 1 .00 24 .26

ATOM 1638 CB PRO B 95 6 .167 15 .622 27 .041 1 .00 22 .83

B ATOM 1639 CG PRO B 95 5 .316 14 .412 26 .916 1 .00 23 .43 a ATOM 1640 C PRO B 95 5 .682 17 .930 27 .959 1 .00 24 .40

B ATOM 1641 O PRO B 95 5 .156 18 .604 27 .074 1 .00 24 .78

ATOM 1642 N GLY B 96 6 .507 18 .442 28 .858 1 .00 25 .95

ATOM 1643 CA GLY B 96 6 , .817 19 .858 28 .836 1, .00 27, ,46

D

ATOM 1644 C GLY B 96 6. ,461 20 .495 30 , .160 1, , 00 29. , 06 B ATOM 1645 O GLY B 96 5. .547 20, .045 30 , .861 1. , 00 29. 32 B ATOM 1646 N TRP B 97 7. 188 21, , 544 30. .508 1. ,00 30. 04

ATOM 1647 CA TRP B 97 6. 947 22. ,239 31. 755 1. 00 31. 06 ATOM 1648 CB TRP B 97 8. 196 23. 028 32. 151 1. 00 32. 02 B ATOM 1649 CG TRP B 97 8. 105 23. 657 33. 498 1. 00 32. 41

ATOM 1650 CD2 TRP B 97 8. 156 22. 960 34. 757 1. 00 33. 19

R

ATOM 1651 CE2 TRP B 97 7. 983 23. 913 35. 770 1. 00 34. 27

ATOM 1652 CE3 TRP B 97 8. 345 21. 617 35. 117 1. 00 33. 62 π

ATOM 1653 CDl TRP B 97 7. 895 24. 963 33. 786 1. 00 32. 66 B ATOM 1654 NEl TRP B 97 7. 809 25. 123 35. 153 1. 00 33. 59

R

ATOM 1655 CZ2 TRP B 97 7. 981 23. 588 37. 120 1. 00 33. 26 B ATOM 1656 CZ3 TRP B 97 8. 341 21. 275 36. 463 1. 00 34. 33 B ATOM 1657 CH2 TRP B 97 8. 170 22. 274 37. 460 1. 00 34. 35 B 105

ATOM 1658 C TRP B 97 5 .761 23 .176 31 .609 1 .00 31 .16

B

ATOM 1659 O TRP B 97 5 .805 24 .123 30 .819 1 .00 31 .42

B

ATOM 1660 N PHE B 98 4 .696 22 .897 32 .357 1 .00 31 .16 π>

ATOM 1661 CA PHE B 98 3 .495 23 .729 32 .309 1 .00 30 .53

B

ATOM 1662 CB PHE B 98 3 .769 25 .022 33 .073 1 .00 31 .20

B

ATOM 1663 CG PHE B 98 2 .538 25 .739 33 .503 1 .00 33 .69

B

ATOM 1664 CDl PHE B 98 1 .529 25 .061 34 .181 1 .00 34 .15 ATOM 1665 CD2 PHE B 98 2 .393 27 .103 33 .260 1 .00 33 .91

B

ATOM 1666 CEl PHE B 98 0 .385 25 .727 34 .604 1 .00 34 .67

B

ATOM 1667 CE2 PHE B 98 1 .253 27 .781 33 .680 1 .00 34 .60

B

ATOM 1668 CZ PHE B 98 0 .247 27 .093 34 .358 1 .00 35 .03 π D

ATOM 1669 C PHE B 98 3 .199 24 .017 30 .834 1 .00 29 .21

B

ATOM 1670 O PHE B 98 3 .123 25 .172 30 .411 1 .00 28 .53

B

ATOM 1671 N ASN B 99 3. .029 22 .938 30 .071 1. .00 27 .42

B

ATOM 1672 CA ASN B 99 2. .807 22 .989 28 .623 1. .00 23 .85

B

ATOM 1673 CB ASN B 99 4. .065 22, .410 27 , .961 1. , 00 23 .22

B

ATOM 1674 CG ASN B 99 4. 031 22. .475 26. ,463 1. .00 24 , .07 a ATOM 1675 ODl ASN B 99 3. 700 23. ,506 25. 883 1. 00 26. .49

B

ATOM 1676 ND2 ASN B 99 4. 400 21. ,374 25. ,818 1. 00 23. ,53

B

ATOM 1677 C ASN B 99 1. 552 22. 202 28. 204 1. 00 21. 27

B

ATOM 1678 O ASN B 99 1. 516 21. 586 27. 138 1. 00 19. 25

B

ATOM 1679 N ASP B 100 0. 526 22. 248 29. 048 1. 00 18. 80

B

ATOM 1680 CA ASP B 100 0. 722 21. 517 28. 821 1. 00 18. 05

B

ATOM 1681 CB ASP B 100 1. 609 21. 624 30. 064 1. 00 18. 65

B

ATOM 1682 CG ASP B 100 1. 086 20. 800 31. 224 1. 00 20. 41

B

ATOM 1683 ODl ASP B 100 0. 135 20. 552 31. 268 1. 00 25. 88

-D

ATOM 1684 OD2 ASP B 100 1. 887 20. 410 32. 099 1. 00 20. 07

B

ATOM 1685 C ASP B 100 1. 575 21. 844 27. 597 1. 00 16. 66

B 106

ATOM 1686 O ASP B 100 -1 .736 23 .009 27 .215 1 .00 13 .76

B

ATOM 1687 N GLN B 101 -2 .122 20 .786 26 .992 1 .00 15 .15

B

ATOM 1688 CA GLN B 101 -3 .006 20 .918 25 .841 1 .00 15 .69

B

ATOM 1689 CB GLN B 101 -3 .039 19 .639 25 .005 1 .00 16 .21

B

ATOM 1690 CG GLN B 101 -4 .194 19 .626 24 .007 1 .00 17 .44

B

ATOM 1691 CD GLN B 101 -4 .312 18 .325 23 .240 1 .00 19 .45

B

ATOM 1692 OEl GLN B 101 -3 .518 18 .047 22 .336 1 .00 19 .53

^" JR_5

ATOM 1693 NE2 GLN B 101 -5 .309 17 .513 23 .597 1 .00 18 .00

B

ATOM 1694 C GLN B 101 -4 .388 21 .165 26 .423 1 .00 15 .63

B

ATOM 1695 O GLN B 101 -5 .000 20 .259 26 .989 1 .00 14 .84

B

ATOM 1696 N LYS B 102 -4 .870 22 .395 26 .282 1 .00 17 .05

B

ATOM 1697 CA LYS B 102 -6 .164 22 .779 26 .820 1 .00 18 .40

B

ATOM 1698 CB LYS B 102 -5 .999 24 .021 27 .698 1 .00 18 .55 π JD

ATOM 1699 CG LYS B 102 -4 .829 23 .908 28 .647 1 .00 20. .70

ATOM 1700 CD LYS B 102 -4. .819 25 .011 29 .677 1. .00 21. , 78

B

ATOM 1701 CE LYS B 102 -4. .643 26 .375 29. .055 1 , .00 22. .37

B

ATOM 1702 NZ LYS B 102 -4. ,665 27 .421 30. .127 1. , 00 23. 14

B

ATOM 1703 C LYS B 102 -7. 192 23 , .052 25. .732 1. .00 19. 47

B

ATOM 1704 O LYS B 102 -6. 873 23. , 580 24. 661 1. 00 20. 22

B

ATOM 1705 N VAL B 103 -8. 433 22. 688 26. 018 1. 00 19. 51 xπ5

ATOM 1706 CA VAL B 103 -9. 519 22. 900 25. 075 1. 00 18. 40

B

ATOM 1707 CB VAL B 103 -9. 817 21. 614 24. 272 1. 00 17. 78

B

ATOM 1708 CGl VAL B 103 10. 920 21. 870 23. 270 1. 00 17. 82

ATOM 1709 CG2 VAL B 103 -8. 556 21. 143 23. 561 1. 00 17. 64

B

ATOM 1710 C VAL B 103 10. 748 23. 307 25. 875 1. 00 18. 12

B

ATOM 1711 O VAL B 103 11. 215 22. 554 26. 733 1. 00 19. 96

ATOM 1712 N THR B 104 11. 248 24. 508 25. 609 1. 00 16. 18

B

ATOM 1713 CA THR B 104 12. 417 25. 024 26. 304 1. 00 14. 50

B 107

ATOM 1714 CB THR B 104 -12 .256 26 .526 26 .640 1 .00 15 .13 B ATOM 1715 OGl THR B 104 -11 .153 26 .711 27 .539 1 .00 16 .2C

ATOM 1716 CG2 THR B 104 -13 .526 27 .066 27 .275 1 .00 12 .43

ATOM 1717 C THR B 104 -13 .622 24 .867 25 .393 1 .00 13 .81

ATOM 1718 O THR B 104 -13 .569 25 .234 24 .221 1 .00 13 .58

ATOM 1719 N PHE B 105 -14 .708 24 .323 25 .930 1 .00 12 .56

Rβ

ATOM 1720 CA PHE B 105 -15 .918 24 .130 25 .142 1 .00 11 .91 ATOM 1721 CB PHE B 105 -16 .431 22 .678 25 .213 1 .00 11 .83 a

ATOM 1722 CG PHE B 105 -15 .431 21 .637 24 .797 1 .00 10 .05

B ATOM 1723 CDl PHE B 105 -14 .366 21 .300 25 .626 1 .00 11 .55 rs ATOM 1724 CD2 PHE B 105 -15 .581 20 .962 23 .593 1 .00 11 .49 B ATOM 1725 CEl PHE B 105 -13 .461 20 .301 25 .258 1 .00 13 .25 π

ATOM 1726 CE2 PHE B 105 -14 .685 19 .959 23 .211 1 .00 11 .76 ATOM 1727 CZ PHE B 105 -13. .624 19 .625 24 .046 1, .00 13 .06 B ATOM 1728 C PHE B 105 -17. , 043 25 .032 25 .635 1 _c .00 12 .53 π B

ATOM 1729 O PHE B 105 -17. 059 25. .482 26 .785 1. , 00 11 .60 B

ATOM 1730 N SER B 106 -17. 992 25. ,264 24. .737 1. 00 13 .06 π ATOM 1731 CA SER B 106 -19. 174 26. .062 25. .002 1. 00 13 .73 B ATOM 1732 CB SER B 106 -19. 183 27. 320 24. ,133 1. 00 13 .49

P

ATOM 1733 OG SER B 106 -20. 314 28. 112 24. 446 1. 00 17 .57

ATOM 1734 C SER B 106 -20. 326 25. 152 24. 607 1. 00 12 .36 B ATOM 1735 O SER B 106 -20. 713 25. 094 23. 441 1. 00 12 .54

ATOM 1736 N LEU B 107 -20. 848 24. 419 25. 581 1. 00 13 .45

R

ATOM 1737 CA LEU B 107 -21. 942 23. 489 25. 343 1. 00 12 .99 B ATOM 1738 CB LEU B 107 -21. 804 22. 257 26. 237 1. 00 11 .32 B ATOM 1739 CG LEU B 107 -23. 056 21. 380 ^■26. 302 1. 00 10 .77 B ATOM 1740 CDl LEU B 107 -23. 265 20. 700 24. 962 1. 00 11 .66 B ATOM 1741 CD2 LEU B 107 -22. 910 20. 353 27. 409 1. 00 12 .14 B 108

ATOM 1742 C LEU B 107 -23 .271 24 .153 25 .610 1 .00 14 .08

B ATOM 1743 O LEU B 107 -23 .462 24 .815 26 .628 1 .00 14 .56

ATOM 1744 N GLN B 108 -24 .197 23 .952 24 .689 1 .00 15 .91

ATOM 1745 CA GLN B 108 -25 .521 24 .533 24 .786 1 .00 18 .80

B ATOM 1746 CB GLN B 108 -25 .658 25 .605 23 .716 1 .00 21 .74 ϋ

ATOM 1747 CG GLN B 108 -27 .067 26 .090 23 .461 1 .00 30 .59

ATOM 1748 CD GLN B 108 -27 .073 27 .222 22 .451 1 .00 35 .77 ATOM 1749 OEl GLN B 108 -26 .180 28 .080 22 .471 1 .00 36 .57 B ATOM 1750 NE2 GLN B 108 -28 .080 27 .242 21 .567 1 .00 37 .81

B

ATOM 1751 C GLN B 108 -26 .556 23 .440 24 .582 1 .00 18 .43

ATOM 1752 O GLN B 108 -26 .642 22 .854 23 .505 1 .00 17 .76 B ATOM 1753 N VAL B 109 -27 .334 23 .160 25 .622 1 .00 17 .94

ATOM 1754 CA VAL B 109 -28 .354 22 .123 25 , .548 1 .00 17 .19

ATOM 1755 CB VAL B 109 -28 .232 21 .119 26 , , 714 1, .00 16 .55 B ATOM 1756 CGl VAL B 109 -29 .208 19, .964 26. ,510 1. , 00 15 .35

JπD

ATOM 1757 CG2 VAL B 109 -26 .816 20. ,605 26. 813 1. ,00 16 .72 n ATOM 1758 C VAL B 109 -29, , 747 22. ,727 25. 603 1. 00 17 .61 B ATOM 1759 O VAL B 109 -30. ,117 23. 368 26. 589 1. 00 17 .24 π JD

ATOM 1760 N LYS B 110 -30. 517 22. 504 24. 543 1. 00 18 .47

"D

ATOM 1761 CA LYS B 110 -31. 873 23. 019 24. 461 1. 00 19 .56

ATOM 1762 CB LYS B 110 -31. 972 24. 064 23. 351 1. 00 20 .45 B ATOM 1763 CG LYS B 110 -31. 173 25. 335 23. 620 1. 00 22 .18

ATOM 1764 CD LYS B 110 -31. 371 26. 340 22. 501 1. 00 23 .99

ATOM 1765 CE LYS B 110 -30. 767 27. 686 22. 854 1. 00 28 .20 B ATOM 1766 NZ LYS B 110 -31. 176 28. 727 21. 867 1. 00 29 .53 B ATOM 1767 C LYS B 110 -32. 886 21. 909 24. 207 1. 00 20 .14 B ATOM 1768 O LYS B 110 -32. 534 20. 817 23. 770 1. 00 20 .10 B ATOM 1769 N PRO B 111 -34. 163 22. 174 24. 506 1. 00 20 .59 B 109

ATOM 1770 CD PRO B 111 -34.691 23.335 25.245 1.00 20.99

B

ATOM 1771 CA PRO B 111 -35.211 21.175 24.292 1.00 20.15

B

ATOM 1772 CB PRO B 111 -36.466 21.887 24.786 1.00 21.78

B

ATOM 1773 CG PRO B 111 -35.937 22.763 25.887 1.00 21.64

B

ATOM 1774 C PRO B 111 -35.306 20.789 22.815 1.00 19.44

B

ATOM 1775 O PRO B 111 -35.049 21.599 21.927 1.00 17.70

B

ATOM 1776 N GLU B 112 -35.670 19.543 22.563 1.00 18.81

B

ATOM 1777 CA GLU B 112 -35.803 19.041 21.207 1.00 19.43

B

ATOM 1778 CB GLU B 112 -35.794 17.519 21.251 1.00 18.89

B

ATOM 1779 CG GLU B 112 -36.008 16.805 19.943 1.00 19.01

B

ATOM 1780 CD GLU B 112 -35.770 15.309 20.097 1.00 19.37

B

ATOM 1781 OEl GLU B 112 -36.301 14.722 21.062 1.00 20.75

ATOM 1782 OE2 GLU B 112 -35.051 14.718 19.264 1.00 19.82

B

ATOM 1783 C GLU B 112 -37.100 19.539 20.581 1.00 20.53

B

ATOM 1784 O GLU B 112 -37.204 19.689 19.365 1.00 19.16

B

ATOM 1785 N LEU B 113 -38.083 19.810 21.429 1.00 21.94

B

ATOM 1786 CA LEU B 113 -39.388 20.256 20.976 1.00 22.43

B

ATOM 1787 CB LEU B 113 -40.291 19.021 20.838 1.00 23.03

B

ATOM 1788 CG LEU B 113 -41.822 19.062 20.742 1.00 24.97

B

ATOM 1789 CDl LEU B 113 -42.429 18.923 22.137 1.00 24.97

B

ATOM 1790 CD2 LEU B 113 -42.274 20.337 20.038 1.00 22.84

B

ATOM 1791 C LEU B 113 -39.992 21.278 21.936 1.00 23.14 r> ATOM 1792 O LEU B 113 -39.945 21.101 23.156 1.00 24.03

ATOM 1793 N VAL B 114 -40.543 22.354 21.387 1.00 22.81

B

ATOM 1794 CA VAL B 114 -41.164 23.386 22.212 1.00 23.08

B

ATOM 1795 CB VAL B 114 -40.297 24.665 22.246 1.00 21.14

B

ATOM 1796 CGl VAL B 114 -40.940 25.707 23.132 1.00 19.01

B

ATOM 1797 CG2 VAL B 114 -38.914 24.333 22.764 1.00 20.93

B 1 10

ATOM 1798 C VAL B 114 -42 .563 23 .722 21 .676 1 .00 24 .25

B

ATOM 1799 O VAL B 114 -42 .699 24 .433 20 .678 1 .00 23 .98 a ATOM 1800 N PRO B 115 -43 .618 23 .219 22 .346 1 .00 25 .38

B

ATOM 1801 CD PRO B 115 -43 .501 22 .459 23 .600 1 .00 25 .96

B

ATOM 1802 CA PRO B 115 -45 .034 23 .406 22 .008 1 .00 28 .00

B

ATOM 1803 CB PRO B 115 -45 .743 23 .031 23 .299 1 .00 26 .25

ATOM 1804 CG PRO B 115 -44 .914 21 .922 23 .782 1 .00 27 .05

B

ATOM 1805 C PRO B 115 -45 .437 24 .786 21 .507 1 .00 31 .05

B

ATOM 1806 O PRO B 115 -44 .814 25 .795 21 .854 1 .00 30 .14

B

ATOM 1807 N ARG B 116 -46 .493 24 .804 20 .693 1 .00 34 .09

B

ATOM 1808 CA ARG B 116 -47 .030 26 .026 20 .095 1 .00 37 .75

B

ATOM 1809 CB ARG B 116 -48 .273 25 .685 19 .261 1 .00 36 .98

D

ATOM 1810 CG ARG B 116 -48 .791 26 .824 18 .398 1 .00 36 .92

R

ATOM 1811 CD ARG B 116 -50 .317 26 .839 18 .310 1 .00 38 .15

B

ATOM 1812 NE ARG B 116 -50 .877 26. .056 17 .206 1 , .00 39. .90

B

ATOM 1813 CZ ARG B 116 -50 .743 24. , 740 17, .054 1. .00 40 , .61

B

ATOM 1814 NHl ARG B 116 -50 , .054 24. .023 17 , , 931 1. 00 40. ,60

B

ATOM 1815 NH2 ARG B 116 -51. ,328 24. 132 16. , 029 1. 00 40. 52

B

ATOM 1816 C ARG B 116 -47. 386 27. 087 21. 150 1. 00 39. 80

ATOM 1817 O ARG B 116 -48. 567 27. 495 21. 204 1. 00 41. 01

B

ATOM 1818 OXT ARG B 116 -46. 486 27. 509 21. 911 1. 00 42. 23

D

ATOM 1819 O HOH S 1 6. 470 27. 421 4. 144 1. 00 43. 04

S

ATOM 1820 O HOH S 2 -32. 197 21. 947 33. 621 1. 00 29. 63

S

ATOM 1821 O HOH S 3 ^■15 . 554 8. 388 21. 656 1. 00 23. 65

S

ATOM 1822 O HOH S 4 5. 924 16. 873 17. 604 1. 00 13. 90

S

ATOM 1823 O HOH S 5 4. 416 19. 594 33. 534 1. 00 41. 17

S

ATOM 1824 O HOH S 6 -1. 874 5. 931 17. 204 1. 00 15. 39

S

ATOM 1825 O HOH S 7 13. 210 25. 687 10. 488 1. 00 43. 23

S 1 1

ATOM 1826 O HOH S 8 -16 .674 11 .333 14 .187 1 .00 27 .94 S ATOM 1827 O HOH S 9 -19 .215 18 .631 5 .472 1 .00 39 .71 b Q ATOM 1828 O HOH S 10 -14 .997 14 .485 15 .724 1 .00 12 .70 b Q

ATOM 1829 O HOH S 11 -6 .846 18 .748 -1 .047 1 .00 46 .21 S ATOM 1830 O HOH S 12 12 .459 15 .697 15 .488 1 .00 25 .38 b

ATOM 1831 O HOH S 13 -13 .350 8 .947 25 .986 1 .00 11 .78 S ATOM 1832 O HOH S 14 -17 .234 20 .098 7 .112 1 .00 22 .60

O Q

ATOM 1833 O HOH S 15 -27 .550 15 .264 22 .464 1 .00 21 .41 S ATOM 1834 O HOH S 16 -3 .086 8 .660 19 .531 1 .00 25 .48 S ATOM 1835 O HOH S 17 O .058 8 .634 -4 .117 1 .00 30 .19

O Q

ATOM 1836 O HOH S 18 -12 .530 6 .207 20 .775 1 .00 13 .70 S ATOM 1837 O HOH S 19 1 .121 5 .974 5 .432 1 .00 22 .64 b

ATOM 1838 O HOH S 20 -O .399 23 , .656 31 .749 1 .00 20 .61 S ATOM 1839 O HOH S 21 -9. .668 8. ,299 9 .943 1, .00 10 .48 S ATOM 1840 O HOH S 22 -12 .191 21. ,642 41. .780 1, .00 30 .96

Q C

ATOM 1841 O HOH S 23 2. .656 19. 627 30 , .754 1. , 00 25, .81 S ATOM 1842 O HOH S 24 -20. ,415 24. 640 32. ,318 1. ,00 30 , .00 S ATOM 1843 O HOH S 25 10. 609 16. 170 17. 262 1. 00 17. ,37

G

ATOM 1844 O HOH S 26 -28. 184 17. 339 36. 096 1. 00 18. ,73 S ATOM 1845 O HOH S 27 -O . 332 17. 882 -4. 160 1. 00 24. 22 S ATOM 1846 O HOH S 28 -32. 786 13. 362 30. 674 1. 00 26. 71

O O

ATOM 1847 O HOH S 29 ~ 1 875 19. 917 20. 345 1. 00 36. 52

O Q

ATOM 1848 O HOH S 30 -11. 918 4. 885 4. 653 1. 00 29. 24 S ATOM 1849 O HOH S 31 19. 808 25. 594 9. 520 1. 00 32. 03 S

ATOM 1850 O HOH S 32 -17. 193 9. 661 25. 660 1. 00 23. 53 q

ATOM 1851 O HOH S 33 -1. 205 8. 948 11. 908 1. 00 15. 14

O Q

ATOM 1852 O HOH S 34 -1. 477 28. 665 -4. 037 1. 00 35. 32 S ATOM 1853 O HOH S 35 O. 083 14. 524 21. 981 1. 00 12. 00 S 1 12

ATOM 1854 O HOH S 36 -25 .315 16 .808 20 .753 1 .00 22 .80

ATOM 1855 O HOH S 37 -14 .721 24 .000 5 .670 1 .00 42 .28 S ATOM 1856 O HOH S 38 -23 .348 11 .897 22 .573 1 .00 31 .42

ATOM 1857 O HOH S 39 -23 .754 28 .888 17 .095 1 .00 50 .06

ATOM 1858 O HOH S 40 -3 .440 16 .050 19 .175 1 .00 27 .45 S ATOM 1859 O HOH S 41 -21 .475 9 .164 29 .805 1 .00 40 .69

ATOM 1860 O HOH S 42 -3 .185 19 .121 -4 .929 1 .00 24 .64 fa

ATOM 1861 O HOH S 43 -1 .767 4 .571 5 .493 1 .00 19 .29 S ATOM 1862 O HOH S 44 4 .710 15 .997 23 .141 1 .00 36 .80 S ATOM 1863 O HOH S 45 -5 .057 8 .630 27 .637 1 .00 15 .71

ATOM 1864 O HOH S 46 -34 .847 19 .244 32 .280 1 .00 19 .76 S ATOM 1865 O HOH S 47 -2 .896 26 .575 -4 .733 1 .00 17 .30 S ATOM 1866 O HOH S 48 -22 .677 15 .027 21 .175 1 .00 29 .03 S ATOM 1867 O HOH S 49 -1 , .694 16 .423 20 .762 1 .00 26 .52 S ATOM 1868 O HOH S 50 5. .968 24 .405 5 .638 1 .00 42 .18 S ATOM 1869 O HOH S 51 2. 677 20 .594 -3. .100 1. .00 44 .49 S ATOM 1870 O HOH S 52 -10. 258 -0. .457 -0. ,264 1, , 00 35 , ,53 S ATOM 1871 O HOH S 53 -20. 459 16. , 877 19. 881 1. 00 24. ,42 S ATOM 1872 O HOH S 54 -O . 208 25. .939 30. 338 1. 00 27. 41

ATOM 1873 O HOH S 55 -22. 996 27. 731 26. 683 1. 00 62. 13 S ATOM 1874 O HOH S 56 O. 173 29. 571 4. 222 1. 00 39. 42 S ATOM 1875 O HOH S 57 -22. 858 25. 469 21. 167 1. 00 37. 17

Q

ATOM 1876 O HOH S 58 2. 045 11. 874 23. 711 1. 00 22. 34 S ATOM 1877 O HOH S 59 -37. 130 19. 448 33. 448 1. 00 30. 50 S ATOM 1878 O HOH S 60 -5. 950 10. 634 29. 367 1. 00 20. 52 S ATOM 1879 O HOH S 61 5. 653 19. 050 ~ 1 673 1. 00 35. 15 S ATOM 1880 O HOH S 62 10. 943 21. 466 1. 401 1. 00 26. 76 S ATOM 1881 O HOH S 63 -20. 061 26. 317 8. 844 1. 00 24. 64 S 1 13

ATOM 1882 O HOH S 64 -3 .236 24 .067 -4 .069 1 .00 33 .09 S ATOM 1883 O HOH S 65 -22 .913 19 .133 33 .499 1 .00 25 .46

O

ATOM 1884 O HOH S 66 7 .541 27 .428 16 .100 1 .00 39 .47 ATOM 1885 O HOH S 67 -36 .798 14 .446 23 .679 1 .00 20 .19

On

ATOM 1886 O HOH S 68 -5 .784 16 .232 19 .166 1 .00 35 .19 fa

ATOM 1887 O HOH S 69 -8 .795 10 .501 8 .369 1 .00 15 .71 S ATOM 1888 O HOH S 70 -13 .547 3 .875 27 .754 1 .00 24 .06 S ATOM 1889 O HOH S 71 -10 .004 23 .953 13 .376 1 .00 30 .12 S ATOM 1890 O HOH S 72 -3 .535 33 .236 10 .355 1 .00 35 .90 S ATOM 1891 O HOH S 73 -10 .348 16 .043 18 .791 1 .00 45 .78 fa

ATOM 1892 O HOH S 74 -6 .798 19 .431 25 .494 1 .00 19 .87 S ATOM 1893 O HOH S 75 O .616 19 .682 33 .812 1 .00 25 .46

Q

ATOM 1894 O HOH S 76 ~ 1 .186 3 .840 9 .892 1. .00 30 .50

O

ATOM 1895 O HOH S 77 8 .085 19. .048 4. .479 1. , 00 28 , .06 S ATOM 1896 O HOH S 78 -15 .406 29. , 987 33. .802 1. ,00 41. , 98 S ATOM 1897 O HOH S 79 9, .441 15. ,278 -0. 104 1. 00 25. .57 S ATOM 1898 O HOH S 80 14. .736 24. .967 2. 648 1. 00 36. 31

ATOM 1899 O HOH S 81 -12. ,362 4. 354 32. 270 1. 00 21. 65 S ATOM 1900 O HOH S 82 -27. .048 19. 576 35. 007 1. 00 24. 13 S ATOM 1901 O HOH S 83 p 712 10. 583 -1. 651 1. 00 19. 95 S ATOM 1902 O HOH S 84 -14. 589 25. 151 8. 009 1. 00 29. 93 S ATOM 1903 O HOH S 85 -25. 696 22. 156 36. 301 1. 00 20. 63

O

ATOM 1904 O HOH S 86 _ H 652 19. 373 12. 311 1. 00 29. 83 S ATOM 1905 O HOH S 87 3. 391 7. 606 29. 104 1. 00 37. 81 S ATOM 1906 O HOH S 88 -29. 642 28. 048 18. 568 1. 00 38. 18 S ATOM 1907 O HOH S 89 -29. 628 15. 352 35. 222 1. 00 37. 27 S ATOM 1908 O HOH S 90 8. 095 14. 510 17. 017 1. 00 38. 62 S ATOM 1909 O HOH S 91 -12. 456 24. 734 41. 828 1. 00 36. 85 S 14

ATOM 1910 O HOH S 92 -33 .031 12 .384 33 .047 1 .00 28 .21 S ATOM 1911 O HOH S 93 -36 .292 17 .413 24 .184 1 .00 49 .38

Q

O

ATOM 1912 O HOH S 94 -15 .182 17 .514 41 .815 1 .00 17 .34

ATOM 1913 O HOH S 95 22 .417 15 .092 14 .128 1 .00 33 .24 S ATOM 1914 O HOH S 96 -17 .063 14 .017 13 .954 1 .00 26 .79

O

ATOM 1915 O HOH S 97 -33 .290 24 .222 34 .445 1 .00 35 .99 b

ATOM 1916 O HOH S 98 -34 .097 11 .240 31 .161 1 .00 37 .06 S ATOM 1917 O HOH S 99 -24 .805 28 .770 14 .966 1 .00 43 .66 S ATOM 1918 O HOH S 100 -11 .999 19 .948 3 .259 1 .00 27 .92

O

ATOM 1919 O HOH S 101 -6 .090 26 .163 11 .106 1 .00 34 .60 S ATOM 1920 O HOH S 102 -10 .381 30 .610 25 .713 1 .00 33 .95 fa

ATOM 1921 O HOH S 103 -23 .257 11 .789 18 .580 1 .00 31 .42

O

ATOM 1922 O HOH S 104 -17 .376 4 .377 10 .854 1 .00 24 .29 S ATOM 1923 O HOH S 105 -9 .957 8 .267 -2 .709 1 .00 22 .56

ATOM 1924 O HOH S 106 -12 .981 15 .689 16 .983 1 .00 17 .42

O

ATOM 1925 O HOH S 107 -23 .285 9 .222 22 .811 1 .00 25 .39 S ATOM 1926 O HOH S 108 2 .508 9 .609 12 .404 1 .00 25 .31

O

ATOM 1927 O HOH S 109 -16 .540 6 .414 32 .431 1 .00 26 .83 S END

15

2 . TIM 1

REMARK coordinates from minimization refinement

REMARK refinement resolution: 15 - 2.5 A

REMARK starting r= 0.2310 free_r= 0.2849

REMARK final r= 0.2322 free_r= 0.2879

REMARK rmsd bonds= 0.007385 rmsd angles= 1.72994

REMARK wa= 2.95957

REMARK targets mlf cycles= 1 steps= 30

REMARK sg= P2 (1)2 (1)2 (1) a= 44.49 b= 55.74 C= 75.53 alpha= 90 beta= 90 gamma= 90

REMARK parameter file 1 : CNS__TOPPAR:protein_rep .param

REMARK parameter file 2 : CNS_TOPPAR: water_rep .param

REMARK molecular structure file: generate. mtf

REMARK input coordinates: generate. pdb

REMARK reflection file= ../tlx3.cv

REMARK ncs= none

REMARK B-correction resolution: 6 - 2.5

REMARK initial B-factor correction applied to fobs :

REMARK BIl= 14.693 B22= -27.991 B33= 13.298

REMARK B12= 0.000 B13= 0.000 B23= 0.000

REMARK B-factor correction applied to coordinate array B: -0.273

REMARK bulk solvent: density level= 0.384144 e/A^A3, B-factor= 33.2332

A^A2

REMARK reflections with | Fobs | /sigma_F < 0 rejected

REMARK reflections with j Fobs | > 10000 * rms(Fobs) rejected

REMARK theoretical total number of ref1. in resol . range: 6851 (

100.0 % )

REMARK number of unobserved reflections (no entry or |F|=0) : 12 (

0.2 % )

REMARK number of reflections rejected: 0 (

0.0 % )

REMARK total number of reflections used: 6839 (

99.8 % )

REMARK number of reflections in working set: 6138 (

89.6 % )

REMARK number of reflections in test set: 701 (

10.2 % )

CRYSTl 44.490 55.740 75.530 90.00 90.00 90.00 P 21 21 21

REMARK FILENAME= "mini .pdb"

REMARK DATE :

REMARK VERSION : 1.0

ATOM 1 CB MET A 1 -7.659 31.952 20.346 1.00 70.73

A

ATOM 2 CG MET A 1 -6.398 31.090 20.470 1.00 72.96

A

ATOM 3 SD MET A 1 -6.715 29.309 20.407 1.00 75.73

A

ATOM 4 CE MET A 1 -6.854 28.922 22.162 1.00 75.07

A

ATOM 5 C MET A 1 -6.960 32.596 18.063 1.00 68.12

A

ATOM 6 O MET A 1 -7.247 31.460 17.675 1.00 69.82

A

ATOM 7 N MET A 1 -8.782 33.859 19.213 1.00 68.42

A 1 16

ATOM 8 CA MET A 1 .498 33 .129 19 .380 1 .00 68 .79

A

ATOM 9 N ASP A 2 -6 .191 33 .421 17 .366 1 .00 67 .14

A

ATOM 10 CA ASP A 2 -5 .579 32 .996 16 .117 1 .00 65 .29

A

ATOM 11 CB ASP A 2 -5 .381 34 .193 15 .185 1 .00 66 .17

A

ATOM 12 CG ASP A 2 -6 .162 34 .056 13 .895 1 .00 67 .30

A

ATOM 13 ODl ASP A 2 -7 .325 33 .602 13 .947 1 .00 67 .26

A

ATOM 14 OD2 ASP A 2 -5 .620 34 .408 12 .828 1 .00 68 .12

A

ATOM 15 C ASP A 2 -4 .238 32 .427 16 .562 1 .00 63 .53

A

ATOM 16 O ASP A 2 -3 .297 33 .176 16 .834 1 .00 63 .91

A

ATOM 17 N SER A 3 -4 .153 31 .103 16 .656 1 .00 59 .79

A

ATOM 18 CA SER A 3 -2 .919 30 .481 17 .116 1 .00 55 .79

A

ATOM 19 CB SER A 3 -2 .957 30 .394 18 .645 1 .00 56 .61

A

ATOM 20 OG SER A 3 -1 .708 30 .003 19 .182 1 .00 56 .64

A

ATOM 21 C SER A 3 -2 .688 29 .093 16 .524 1. .00 52 .28

A

ATOM 22 O SER A 3 -3. .638 28 .416 16 .126 1, .00 52 .21

A

ATOM 23 N TYR A 4 -1. .425 28 .678 16, .440 1 , .00 48 , .26

A

ATOM 24 CA TYR A 4 -1. ,131 27. .346 15. .927 1. ,00 44. .50

A

ATOM 25 CB TYR A 4 -0. 363 27. .336 14. ,609 1. 00 47. .50

A

ATOM 26 CG TYR A 4 -0. 323 28. ,570 13. 763 1. 00 49. 69

A

ATOM 27 CDl TYR A 4 -1. 441 28. 997 13. 050 1. 00 50. 40

A

ATOM 28 CEl TYR A 4 -1. 346 30. 034 12. 130 1. 00 51. 03

A

ATOM 29 CD2 TYR A 4 0. 887 29. 225 13. 550 1. 00 49. 95

A

ATOM 30 CE2 TYR A 4 0. 993 30. 256 12. 639 1. 00 50. 47

A

ATOM 31 CZ TYR A 4 •0. 124 30. 654 11. 925 1. 00 51. 10

A

ATOM 32 OH TYR A 4 004 31. 638 10. 970 1. 00 51. 41

A

ATOM 33 C TYR A 4 ^•0. 270 26. 541 16. 869 1. 00 40. 53

A

ATOM 34 O TYR A 4 0. 358 27. 066 17. 783 1. 00 41. 27

A

ATOM 35 N VAL A 5 0. 219 25. 251 16. 580 1. 00 36. 09

A 117

ATOM 36 CA VAL A 5 0 .576 24 .304 17 .326 1 .00 32 .42

A

ATOM 37 CB VAL A 5 0 .130 22 .871 17 .005 1 .00 31 .50

A

ATOM 38 CGl VAL A 5 1 .106 21 .878 17 .587 1 .00 30 .64

A

ATOM 39 CG2 VAL A 5 -1 .271 22 .635 17 .535 1 .00 30 .04

A

ATOM 40 C VAL A 5 2 .028 24 .458 16 .897 1 .00 31 .09

A

ATOM 41 O VAL A 2 .333 24 .392 15 .710 1 .00 31 .68

A

ATOM 42 N GLU A 6 2 .920 24 .684 17 .856 1 .00 29 .65

A

ATOM 43 CA GLU A 6 4 .344 24 .797 17 .560 1 .00 27 .67

A

ATOM 44 CB GLU A 6 5 .060 25 .699 18 .568 1 .00 30 .31

A

ATOM 45 CG GLU A 6 4 .873 27 .184 18 .388 1 .00 34 .94

A

ATOM 46 CD GLU A 6 5 .784 27 .976 19 .316 1 .00 39 .01

A

ATOM 47 OEl GLU A 6 7 .022 27 .789 19 .244 1 .00 39 .91

A

ATOM 48 OE2 GLU A 6 5 .265 28 .781 20 .120 1, .00 41 .53

A

ATOM 49 C GLU A 6 4 .940 23 .402 17 .682 1 , .00 25, .06

A

ATOM 50 O GLU A 6 4 .654 22, .682 18 , .644 1, , 00 22. .46

A

ATOM 51 N VAL A 7 5. .770 23 , .029 16. ,712 1. 00 22. , 08

A

ATOM 52 CA VAL A 7 6 , ,434 21. ,734 16. 722 1. 00 18. 54

A

ATOM 53 CB VAL A 7 5. ,825 20. 786 15. 671 1. 00 17. 23

A

ATOM 54 CGl VAL A 7 6. 458 19. 404 15. 775 1. 00 15. 80

A

ATOM 55 CG2 VAL A 7 4. 335 20. 696 15. 871 1. 00 17. 66

A

ATOM 56 C VAL A 7 7. 923 21. 927 16. 426 1. 00 18. 37

A

ATOM 57 O VAL A 7 8. 299 22. 680 15. 526 1. 00 17. 42

A

ATOM 58 N LYS A 8 8. 767 21. 246 17. 192 1. 00 17. 28

A

ATOM 59 CA LYS A 8 10. 205 21. 346 17. 013 1. 00 18. 43

A

ATOM 60 CB LYS A 8 10. 835 22. 009 18. 239 1. 00 18. 13

A

ATOM 61 CG LYS A 8 10. 458 23. 474 18. 345 1. 00 21. 37

A

ATOM 62 CD LYS A 8 10. 687 24. 052 19. 726 1. 00 23. 09

A

ATOM 63 CE LYS A 8 10. 294 25. 531 19. 769 1. 00 25. 39

A 118

ATOM 64 NZ LYS A 8 8 .877 25 .768 19 .350 1 .00 26 .68

A

ATOM 65 C LYS A 8 10 .845 19 .990 16 .752 1 .00 19 .05

A

ATOM 66 O LYS A 8 10 .656 19 .041 17 .512 1 .00 19 .67

A

ATOM 67 N GLY A 9 11 .583 19 .912 15 .649 1 .00 19 .99

A

ATOM 68 CA GLY A 9 12 .277 18 .694 15 .276 1 .00 20 .42

A

ATOM 69 C GLY A 9 13 .742 19 .003 15 .013 1 .00 21 .26

A

ATOM 70 O GLY A 9 14 .096 20 .148 14 .711 1 .00 20 .80

A

ATOM 71 N VAL A 10 14 .606 18 .000 15 .135 1 .00 21 .23

A

ATOM 72 CA VAL A 10 16 .024 18 .217 14 .894 1 .00 23 .12

A

ATOM 73 CB VAL A 10 16 .863 17 .804 16 .120 1 .00 23 .36

A

ATOM 74 CGl VAL A 10 16 .445 18 .627 17 .336 1 .00 24 .34

A

ATOM 75 CG2 VAL A 10 16 .665 16 .345 16 .409 1 .00 23 .16

A

ATOM 76 C VAL A 10 16 .458 17 .427 13 .666 1 .00 23 .51

A

ATOM 77 O VAL A 10 16 .109 16. .255 13 .515 1 .00 25 .83

A

ATOM 78 N VAL A 11 17 .211 18. .089 12 .791 1, .00 22 .37

A

ATOM 79 CA VAL A 11 17. .703 17. 501 11, .547 1. , 00 21, .31

A

ATOM 80 CB VAL A 11 18. ,858 18. 336 10. , 972 1. ,00 20. ,43

A

ATOM 81 CGl VAL A 11 19. 375 17. 701 9. ,690 1. 00 18. 57

A

ATOM 82 CG2 VAL A 11 18. 385 19. 759 10. 713 1. 00 18. 35

A

ATOM 83 C VAL A 11 18. 174 16. 057 11. 659 1. 00 23. 36

A

ATOM 84 O VAL A 11 18. 816 15. 670 12. 641 1. 00 25. 66

A

ATOM 85 N GLY A 12 17. 849 15. 261 10. 644 1. 00 22. 98

A

ATOM 86 CA GLY A 12 18. 266 13. 870 10. 635 1. 00 24. 39

A

ATOM 87 C GLY A 12 17. 364 12. 951 11. 429 1. 00 25. 52

A

ATOM 88 O GLY A 12 17. 493 11. 732 11. 353 1. 00 25. 92

A

ATOM 89 N HIS A 13 16. 457 13. 541 12. 199 1. 00 26. 33

A

ATOM 90 CA HIS A 13 15. 511 12. 780 13. 010 1. 00 27. 22

A

ATOM 91 CB HIS A 13 15. 548 13. 259 14. 467 1. 00 30. 37

A 1 19

ATOM 92 CG HIS A 13 16 .875 13 .074 15 .143 1 .00 33 .30

A

ATOM 93 CD2 HIS A 13 17 .961 13 .883 15 .213 1 .00 33 .09

A

ATOM 94 NDl HIS A 13 17 .186 11 .950 15 .876 1 .00 33 .31

A

ATOM 95 CEl HIS A 13 18 .406 12 .074 16 .372 1 .00 34 .20

A

ATOM 96 NE2 HIS A 13 18 .897 13 .237 15 .985 1 .00 34 .53

A

ATOM 97 C HIS A 13 14 . Ill 13 .024 12 .450 1 .00 26 .55

A

ATOM 98 O HIS A 13 13 .840 14 .078 11 .878 1 .00 26 .51

A

ATOM 99 N PRO A 14 13 .208 12 .042 12 .588 1 .00 25 .86

A

ATOM 100 CD PRO A 14 13 .450 10 .637 12 .954 1 .00 26 .28

A

ATOM 101 CA PRO A 14 11 .844 12 .219 12 .080 1 .00 24 .26

A

ATOM 102 CB PRO A 14 11 .247 10 .818 12 .191 1 .00 25 .17

A

ATOM 103 CG PRO A 14 12 .449 9 .915 12 .095 1 .00 26 .06

A

ATOM 104 C PRO A 14 11 .110 13 .208 12 .974 1. .00 22 .72

A

ATOM 105 O PRO A 14 11 .290 13 .192 14. .188 1. , 00 24 .52

A

ATOM 106 N VAL A 15 10 .298 14 .079 12. .389 1. .00 20 .81

A

ATOM 107 CA VAL A 15 9 .551 15 .039 13. 196 1. .00 18 .74

A

ATOM 108 CB VAL A 15 9. .874 16 .514 12. 790 1. 00 17 .37

A

ATOM 109 CGl VAL A 15 9. .404 16 .803 11. 376 1. 00 15 .43

A

ATOM 110 CG2 VAL A 15 9. ,224 17 .472 13. 768 1. 00 15 .58

A

ATOM 111 C VAL A 15 8. 063 14 .746 13. 015 1. 00 18 .45

A

ATOM 112 O VAL A 15 7. 607 14 .506 11. 898 1. 00 17 .87

A

ATOM 113 N THR A 16 7. 306 14 .759 14. 109 1. 00 17 .18

A

ATOM 114 CA THR A 16 5. 883 14 .468 14. 026 1. 00 16 .75

A

ATOM 115 CB THR A 16 5. 517 13 .273 14. 916 1. 00 16 .15

A

ATOM 116 OGl THR A 16 6. 095 12 .080 14. 371 1. 00 17 .87

A

ATOM 117 CG2 THR A 16 4. 018 13 .112 14. 992 1. 00 16 .49

A

ATOM 118 C THR A 16 4. 936 15 .608 14. 361 1. 00 16 .14

A

ATOM 119 O THR A 16 5. 136 16 .339 15. 325 1. 00 15 .93

A 120

ATOM 120 N LEU A 17 3 .904 15 .758 13 .537 1 .00 16 .12

A

ATOM 121 CA LEU A 17 2 .888 16 .776 13 .752 1 .00 16 .43

A

ATOM 122 CB LEU A 17 2 .553 17 .516 12 .447 1 .00 16 .36

A

ATOM 123 CG LEU A 17 3 .718 18 .067 11 .617 1 .00 17 .21

A

ATOM 124 CDl LEU A 17 3 .238 19 .253 10 .788 1 .00 13 .75

A

ATOM 125 CD2 LEU A 17 4 .843 18 .505 12 .527 1 .00 16 .56

A

ATOM 126 C LEU A 17 1 .664 16 .013 14 .259 1 .00 16 .41

A

ATOM 127 O LEU A 17 0 .980 15 .324 13 .489 1 .00 14 .44

A

ATOM 128 N PRO A 18 1 .389 16 .110 15 .571 1 .00 16 .71

A

ATOM 129 CD PRO A 18 2 .223 16 .782 16 .580 1 .00 16 .18

A

ATOM 130 CA PRO A 18 0 .252 15 .432 16 .209 1 .00 16 .48

A

ATOM 131 CB PRO A 18 0 .507 15 .641 17 .706 1. .00 16 .59

A

ATOM 132 CG PRO A 18 1 .995 15 .909 17 .786 1, .00 17 .51

A

ATOM 133 C PRO A 18 1 .097 16 .000 15 .794 1, .00 15 .62

A

ATOM 134 O PRO A 18 1 .374 17, .175 16 .013 1. , 00 14 .75

A

ATOM 135 N CYS A 19 1 .930 15 , ,166 15 .185 1. 00 15, .62

A

ATOM 136 CA CYS A 19 3 , .258 15. ,604 14 , .781 1. 00 16. ,62

A

ATOM 137 C CYS A 19 4. ,223 14. 444 14 , , 951 1. 00 15. 98

A

ATOM 138 O CYS A 19 4. 050 13. 379 14. 353 1. 00 13. 89

A

ATOM 139 CB CYS A 19 3. 264 16. 085 13. 333 1. 00 18. 33

A

ATOM 140 SG CYS A 19 4. 833 16. 879 12. 858 1. 00 22. 73

A

ATOM 141 N THR A 20 5. 234 14. 654 15. 782 1. 00 14. 26

A

ATOM 142 CA THR A 20 6. 208 13. 615 16. 056 1. 00 14. 40

A

ATOM 143 CB THR A 20 5. 886 12. 901 17. 380 1. 00 15. 27

A

ATOM 144 OGl THR A 20 6. 061 13. 815 18. 465 1. 00 17. 00

A

ATOM 145 CG2 THR A 20 4. 442 12. 408 17. 388 1. 00 16. 24

A

ATOM 146 C THR A 20 7. 616 14. 176 16. 150 1. 00 13. 17

A

ATOM 147 O THR A 20 7. 812 15. 377 16. 337 1. 00 12. 35

A 121

ATOM 148 N TYR A 21 -8 .594 13 .288 16 .024 1 .00 13 .45

A

ATOM 149 CA TYR A 21 -9 .998 13 .667 16 .096 1 .00 14 .37

A

ATOM 150 CB TYR A 21 -10 .502 14 .066 14 .701 1 .00 14 .33

A

ATOM 151 CG TYR A 21 -10 .794 12 .897 13 .782 1 .00 14 .01

±\

ATOM 152 CDl TYR A 21 -12 .070 12 .342 13 .725 1 .00 12 .61

A ATOM 153 CEl TYR A 21 -12 .350 11 .248 12 .909 1 .00 13 .26

A

ATOM 154 CD2 TYR A 21 -9 .793 12 .330 12 .995 1 .00 10 .97

A

ATOM 155 CE2 TYR A 21 -10 .061 11 .227 12 .170 1 .00 12 .07

A

ATOM 156 CZ TYR A 21 -11 .345 10 .691 12 .137 1 .00 13 .11

A

ATOM 157 OH TYR A 21 -11 .631 9 .584 11 .362 1 .00 13 .28

A

ATOM 158 C TYR A 21 -10 .766 12 .454 16 .621 1 .00 15 .00

A

ATOM 159 O TYR A 21 -10. .333 11 .316 16 .437 1 .00 14 .76

A

ATOM 160 N SER A 22 -11, .896 12 .691 17 .281 1. .00 16 .47

A

ATOM 161 CA SER A 22 -12 , .689 11 .593 17 .823 1. .00 17 .26

A

ATOM 162 CB SER A 22 -13. .518 12. .075 19 .009 1. .00 17 .82

A

ATOM 163 OG SER A 22 -14. .414 11. , 057 19 .427 1. .00 20 .81

A

ATOM 164 C SER A 22 -13. 619 10. .972 16 .783 1. 00 18 .13

A ATOM 165 O SER A 22 -14. 285 11. .681 16 .021 1. 00 18 .62

A

ATOM 166 N THR A 23 -13. 674 9. 645 16 .762 1. 00 18 .22

A

ATOM 167 CA THR A 23 -14. 529 8. 944 15 .816 1. 00 18 .85 A ATOM 168 CB THR A 23 -13. 845 7. 647 15 .293 1. 00 18 .49

A

ATOM 169 OGl THR A 23 -13. 584 6. 753 16 .383 1. 00 17 .72

A

ATOM 170 CG2 THR A 23 -12. 531 7. 984 14 .609 1. 00 16 .70

A

ATOM 171 C THR A 23 -15. 871 8. 591 16 .458 1. 00 20 .10

A ATOM 172 O THR A 23 -16. 529 7. 633 16 .055 1. 00 20 .48

A

ATOM 173 N TYR A 24 -16. 286 9. 376 17 .450 1. 00 21 .11

A

ATOM 174 CA TYR A 24 -17. 547 9. 115 18 .142 1. 00 22 .61

A

ATOM 175 CB TYR A 24 -17. 750 10. 109 19 .283 1. 00 21 .20

A 122

ATOM 176 CG TYR A 24 -18 .188 11 .490 18 .852 1 .00 21 .81

A

ATOM 177 CDl TYR A 24 -19 .452 11 .971 19 .186 1 .00 23 .11

A

ATOM 178 CEl TYR A 24 -19 .851 13 .264 18 .839 1 .00 23 .05

A

ATOM 179 CD2 TYR A 24 -17 .328 12 .334 18 .152 1 .00 21 .92

A

ATOM 180 CE2 TYR A 24 -17 .718 13 .626 17 .801 1 .00 22 .45

ATOM 181 CZ TYR A 24 -18 .980 14 .082 18 .151 1 .00 22 .29

A

ATOM 182 OH TYR A 24 -19 .363 15 .362 17 .836 1 .00 24 .96 A ATOM 183 C TYR A 24 -18 .742 9 .172 17 .199 1 .00 23 .81

A

ATOM 184 O TYR A 24 -19 .814 8 .665 17 .519 1 .00 23 .44

A

ATOM 185 N ARG A 25 -18 .548 9 .800 16 .042 1 .00 25 .77

A

ATOM 186 CA ARG A 25 -19 .596 9 .925 15 .034 1 .00 26 .21

A

ATOM 187 CB ARG A 25 -19 .813 11 .397 14 .672 1 .00 27 .46

A

ATOM 188 CG ARG A 25 -20 .555 12 .200 15 .733 1 .00 29 .47

A

ATOM 189 CD ARG A 25 -22 .064 12 .167 15, .505 1 .00 32 .86

A

ATOM 190 NE ARG A 25 -22 .632 10. .829 15. , 633 1, .00 36 .46

A

ATOM 191 CZ ARG A 25 -23 .714 10. .407 14. , 977 1. , 00 38 , .95

A

ATOM 192 NHl ARG A 25 -24. .351 11. ,217 14. 136 1. 00 38. .85

A

ATOM 193 NH2 ARG A 25 -24. ,168 9. 172 15. 164 1. 00 39. .95 A ATOM 194 C ARG A 25 -19. .153 9. 148 13. 807 1. 00 25. 81 A ATOM 195 O ARG A 25 -19. 661 9. 356 12. 709 1. 00 26. 06

A

ATOM 196 N GLY A 26 -18. 187 8. 258 14. 009 1. 00 25. 11

A ATOM 197 CA GLY A 26 -17. 685 7. 451 12. 915 1. 00 25. 29 A ATOM 198 C GLY A 26 -16. 497 8. 049 12. 187 1. 00 25. 39

A

ATOM 199 O GLY A 26 -16. 229 9. 250 12. 278 1. 00 24. 43

A

ATOM 200 N ILE A 27 -15. 797 7. 183 11. 457 1. 00 25. 26

ATOM 201 CA ILE A 27 -14. 617 7. 524 10. 664 1. 00 25. 11

A

ATOM 202 CB ILE A 27 -14. 181 6. 283 9. 860 1. 00 26. 51

A

ATOM 203 CG2 ILE A 27 -14. 252 6. 545 8. 362 1. 00 27. 52

A 123

ATOM 204 CGl ILE A 27 -12 .789 5 .858 10 .299 1 ..00 28 .55

A

ATOM 205 CDl ILE A 27 -12 .623 4 .354 10 .330 1 .00 30 .83

A

ATOM 206 C ILE A 27 -14 .840 8 .702 9 .713 1 .00 23 .76

A

ATOM 207 O ILE A 27 15 .971 9 .132 9 .500 1 .00 23 .33

A

ATOM 208 N THR A 28 ^■13 .761 9 .228 9 .141 1 .00 23 .27

A

ATOM 209 CA THR A 28 ^■13 .889 10 .342 8 .209 1 .00 23 .17

A

ATOM 210 CB THR A 28 ^■14 .436 11 .604 8 .920 1 .00 22 .46

A

ATOM 211 OGl THR A 28 ^■14 .964 12 .505 7 .944 1 .00 22 .56

A

ATOM 212 CG2 THR A 28 ^■13 .339 12 .310 9 .696 1 .00 21 .86

A

ATOM 213 C THR A 28 12 .566 10 .669 7 .514 1 .00 23 .54

A

ATOM 214 O THR A 28 11 .509 10 .178 7 .911 1 .00 25 .93

A

ATOM 215 N THR A 29 12 .634 11 .500 6 .476 1 .00 22 .71

A

ATOM 216 CA THR A 29 11, .459 11 .872 5 .695 1 .00 21. .98

A

ATOM 217 CB THR A 29 11 , .862 12 .219 4 .253 1 .00 23. ,15

A

ATOM 218 OGl THR A 29 12 , .894 13 .213 4 .269 1 .00 25 , .40

A

ATOM 219 CG2 THR A 29 12. ,373 10 , .975 3 .538 1 .00 19. 63

A

ATOM 220 C THR A 29 10. 620 13. , 014 6 .254 1 .00 21. 62

A

ATOM 221 O THR A 29 11. 115 13. 881 6 .968 1 .00 23. 21

A

ATOM 222 N THR A 30 -9. 338 13. 002 5 .903 1 .00 21. 96

A

ATOM 223 CA THR A 30 -8. 381 14. 007 6 .356 1 .00 21. 39

A

ATOM 224 CB THR A 30 -7. 569 13. 487 7 .574 1 .00 19. 83

A

ATOM 225 OGl THR A 30 -8. 453 13. 182 8 .660 1 .00 20. 23

A

ATOM 226 CG2 THR A 30 -6. 553 14. 524 8 .024 1 .00 20. 86

A

ATOM 227 C THR A 30 -7. 373 14. 313 5 .252 1 .00 21. 29

A

ATOM 228 O THR A 30 -6. 964 13. 408 4 .522 1 .00 22. 25

A

ATOM 229 N CYS A 31 -6. 987 15. 581 5 .117 1 .00 21. 35

A

ATOM 230 CA CYS A 31 -5. 959 15. 949 4 , .153 1 .00 22. 14

A

ATOM 231 C CYS A 31 -4. 904 16. 742 4 .905 1 .00 21. 32

A 124

ATOM 232 O CYS A 31 -5 .197 17 .360 5 .929 1 .00 20 .21

A

ATOM 233 CB CYS A 31 -6 .507 16 .792 2 .996 1 .00 24 .67

A

ATOM 234 SG CYS A 31 -7 .087 18 .467 3 .403 1 .00 29 .74

A

ATOM 235 N TRP A 32 -3 .671 16 .695 4 .416 1 .00 20 .45

A

ATOM 236 CA TRP A 32 -2 .573 17 .435 .031 1 .00 20 .13

A

ATOM 237 CB TRP A 32 - 1 .449 16 .497 5 .488 1 .00 19 .53

A

ATOM 238 CG TRP A 32 - 1 .609 15 .926 6 .879 1 .00 18 .55

A

ATOM 239 CD2 TRP A 32 -1 .191 16 .544 8 .109 1 .00 17 .51

A

ATOM 240 CE2 TRP A 32 -1 .523 15 .660 9 .154 1 .00 17 .37

A

ATOM 241 CE3 TRP A 32 -0 .571 17 .761 8 .422 1 .00 17 .72

A

ATOM 242 CDl TRP A 32 -2 .162 14 .730 7 .220 1 .00 19 .56

A ⁱn

ATOM 243 NEl TRP A 32 -2 .112 14 .565 8 .586 1 .00 18 .37

A

ATOM 244 CZ2 TRP A 32 -1. .253 15 .940 10 .493 1 .00 15 .77

A

ATOM 245 CZ3 TRP A 32 -0, .299 18 .051 9 .761 1. .00 17 .49

A

ATOM 246 CH2 TRP A 32 -0. ,646 17 , .133 10 .785 1. .00 16. .57

A

ATOM 247 C TRP A 32 -2. 023 18 , .376 3 .975 1. , 00 19. ,32

A

ATOM 248 O TRP A 32 -1. 949 18. , 020 2 .806 1. 00 19. ,89

A

ATOM 249 N GLY A 33 642 19. 579 4. .371 1. 00 19. 28

A

ATOM 250 CA GLY A 33 114 20. 496 3. .388 1. 00 20. 37

A

ATOM 251 C GLY A 33 030 21. 398 3. .923 1. 00 21. 51

A

ATOM 252 O GLY A 33 0. 029 21. 660 5. 118 1. 00 21. 91

A

ATOM 253 N ARG A 34 0. 842 21. 866 3. 042 1. 00 22. 28

A

ATOM 254 CA ARG A 34 1. 892 22. 773 3. 463 1. 00 24. 08

A

ATOM 255 CB ARG A 34 3. 137 22. 600 2. 602 1. 00 25. 55

A

ATOM 256 CG ARG A 34 4. 308 23. 395 3. 114 1. 00 27. 38

A

ATOM 257 CD ARG A 34 5. 620 22. 746 2. 733 1. 00 28. 50

A

ATOM 258 NE ARG A 34 6. 734 23. 412 3. 396 1. 00 29. 99

A

ATOM 259 CZ ARG A 34 7. 963 22. 919 3. 462 1. 00 30. 53

A 125

ATOM 260 NHl ARG A 34 8.239 21.745 2.901 1.00 30.57

A

ATOM 261 NH2 ARG A 34 8.911 23.597 4.097 1.00 29.90

A

ATOM 262 C ARG A 34 1.326 24.180 3.319 1.00 24.67

A

ATOM 263 O ARG A 34 0.700 24.512 2.311 1.00 23.92

A

ATOM 264 N GLY A 35 1.554 24.998 4.339 1.00 26.60

A

ATOM 265 CA GLY A 35 1.030 26.349 4.355 1.00 27.20

A

ATOM 266 C GLY A 35 -0.127 26.318 5.334 1.00 28.76

A

ATOM 267 O GLY A 35 -0.577 25.242 5.739 1.00 27.33

A

ATOM 268 N GLN A 36 -0.611 27.490 5.718 1.00 29.73

A

ATOM 269 CA GLN A 36 -1.715 27.601 6.660 1.00 31.48

A

ATOM 270 CB GLN A 36 -1.870 29.062 7.056 1.00 33.53

A

ATOM 271 CG GLN A 36 -3.073 29.367 7.904 1.00 37.37

A

ATOM 272 CD GLN A 36 -3.096 30.816 ! .344 1.00 39.04

A

ATOM 273 OEl GLN A 36 -4.056 31.269 I .963 1.00 40.62

A

ATOM 274 NE2 GLN A 36 -2.032 31.550 .030 1.00 39.36

A

ATOM 275 C GLN A 36 -3.029 27.071 6.083 1.00 31.95

A

ATOM 276 O GLN A 36 -3.189 27.034 4.868 1.00 31.14

A

ATOM 277 N CYS A 37 -3.955 26.658 6.957 1.00 33.20

A

ATOM 278 CA CYS A 37 -5.263 26.138 6.531 1.00 34.54

A

ATOM 279 C CYS A 37 -6.130 27.268 5.973 1.00 37.04

A

ATOM 280 O CYS A 37 -6.395 28.257 6.664 1.00 38.17

A

ATOM 281 CB CYS A 37 -6.022 25.510 7.697 1.00 33.32

A

ATOM 282 SG CYS A 37 -5.485 23.902 8.375 1.00 32.57

A

ATOM 283 N PRO A 38 -6.606 27.122 4.725 1.00 41.57

A

ATOM 284 CD PRO A 38 -6.128 26.101 3.781 1.00 42.45

A

ATOM 285 CA PRO A 38 -7.446 28.105 4.026 1.00 43.03

A

ATOM 286 CB PRO A 38 -7.215 27.772 2.547 1.00 42.51

A

ATOM 287 CG PRO A 38 -5.966 26.914 2.536 1.00 42.61

A 126

ATOM 288 C PRO A 38 .943 28 .128 4. .360 1 .00 44 .67

A

ATOM 289 O PRO A 38 -9 .354 28 .509 5. ,460 1 .00 45 .92

A

ATOM 290 N SER A 39 -9 .744 27 .734 3. 372 1 .00 46 .26

A

ATOM 291 CA SER A 39 11 .205 27 .704 3. 470 1 .00 47 .31

A

ATOM 292 CB SER A 39 11 .830 28 .679 2. 470 1 .00 48 .65

A

ATOM 293 OG SER A 39 11 .077 29 .871 2. 356 1 .00 50 .79

A

ATOM 294 C SER A 39 11 .697 26 .315 3. 112 1 .00 46 .69

A

ATOM 295 O SER A 39 12 .444 25 .690 3. 863 1 .00 47 .46

A

ATOM 296 N SER A 40 11 .284 25 .867 1. 928 1 .00 45 .63

A

ATOM 297 CA SER A 40 11 .641 24 .556 1. 392 1 .00 44 .41

A

ATOM 298 CB SER A 40 12 .377 24 .717 0. 058 1 .00 44 .36

A

ATOM 299 OG SER A 40 12 .668 23 .452 -0. 512 1 .00 45 .44

A

ATOM 300 C SER A 40 10 .415 23 .662 1. 181 1 .00 43 .63

A

ATOM 301 O SER A 40 -9 .490 24 .011 0. 443 1 .00 43 .42

A

ATOM 302 N ALA A 41 10 .425 22 .504 1. 832 1. .00 42 .60

A

ATOM 303 CA ALA A 41 -9. .340 21. .536 1. 729 1. , 00 41 .57

A

ATOM 304 CB ALA A 41 -9 .381 20. ,856 0. 369 1. , 00 41 .22

A

ATOM 305 C ALA A 41 -7 , .946 22. .106 1. 989 1. 00 40 .68

A

ATOM 306 O ALA A 41 ~ 7 ,779 23. 275 2. 335 1. 00 40 .79

A

ATOM 307 N CYS A 42 -6. 948 21. 253 1. 806 1. 00 36 .79

A

ATOM 308 CA CYS A 42 -5. 555 21. 601 2. 035 1. 00 36 .67

A

ATOM 309 C CYS A 42 -4. 862 22. 248 0. 831 1. 00 37 .36

A

ATOM 310 O CYS A 42 -5. 048 21. 809 -0. 302 1. 00 38 .44

A

ATOM 311 CB CYS A 42 -4. 806 20. 329 2. 427 1. 00 34 .74

A

ATOM 312 SG CYS A 42 -5. 431 19. 532 3. 942 1. 00 33 .95

A

ATOM 313 N GLN A 43 -4. 068 23. 291 1. 074 1. 00 37 .96

A

ATOM 314 CA GLN A 43 -3. 328 23. 943 -0. 006 1. 00 38 .69

A

ATOM 315 CB GLN A 43 -3. 315 25. 475 0. 168 1. 00 40 .29

A 127

ATOM 316 CG GLN A 43 -2 .293 26 .038 1 .140 1 .00 42 .91

A

ATOM 317 CD GLN A 43 -2 .328 27 .561 1 .190 1 .00 46 .36

A

ATOM 318 OEl GLN A 43 -2 .274 28 .235 0 .155 1 .00 46 .57

A

ATOM 319 NE2 GLN A 43 -2 .412 28 .110 2 .399 1 .00 48 .62

A

ATOM 320 C GLN A 43 -1 .909 23 .364 0 .025 1 .00 37 .65

A

ATOM 321 O GLN A 43 -1 .274 23 .314 1 .078 1 .00 38 .60

A

ATOM 322 N ASN A 44 -1 .425 22 .920 .132 1 .00 36 .05

A

ATOM 323 CA ASN A 44 -0 .108 22 .289 .244 1 .00 34 .68

A

ATOM 324 CB ASN A 44 0 .976 23 .119 -0 .554 1 .00 35 .55

A

ATOM 325 CG ASN A 44 1 .149 24 .476 -1 .185 1 .00 37 .18

A

ATOM 326 ODl ASN A 44 1 .200 24 .599 -2 .408 1 .00 39 .13

A

ATOM 327 ND2 ASN A 44 1 .250 25 .508 -0 .355 1 .00 38 .27

A

ATOM 328 C ASN A 44 -0 .216 20 .922 -0 .581 1 .00 33 .01

A

ATOM 329 O ASN A 44 0 .675 20 .488 0 .151 1 .00 32 .84

A

ATOM 330 N THR A 45 -1 .331 20 .255 -0 .859 1 .00 29 .88

A

ATOM 331 CA THR A 45 -1 .635 18 .941 -0 .312 1 .00 26 .57

A

ATOM 332 CB THR A 45 -2 .734 18 .254 -1 .118 1 .00 26 .36

A

ATOM 333 OGl THR A 45 •3 .826 19 .163 -1 .309 1 .00 26 .72

A

ATOM 334 CG2 THR A 45 .218 17 .009 -0 .383 1 .00 23 .95

A

ATOM 335 C THR A 45 .467 17 .976 -0 .253 1 .00 24 .34

A

ATOM 336 O THR A 45 0 .255 17 .793 -1 .232 1 .00 24 .88

A

ATOM 337 N LEU A 46 ^•0 .307 17 .343 0 .903 1 .00 21 .57

A

ATOM 338 CA LEU A 46 0 .749 16 .368 1 .110 1 .00 19 .42

A

ATOM 339 CB LEU A 46 1 .572 16 .725 2 .345 1 .00 20 .25

A

ATOM 340 CG LEU A 46 2 .254 18 .090 2 .382 1 .00 19 .06

A

ATOM 341 CDl LEU A 46 2 .918 18 .279 3 .739 1 .00 20 .79

A

ATOM 342 CD2 LEU A 46 3 .276 18 .191 1 .254 1 .00 21 .35

A

ATOM 343 C LEU A 46 0. .130 14. ,990 1 .310 1 .00 17. .63

A 128

ATOM 344 O LEU A 46 0 .699 13 .979 0. 893 1 .00 16 .58

A

ATOM 345 N ILE A 47 - 1 .044 14 .958 1. 937 1 .00 16 .35

A

ATOM 346 CA ILE A 47 -1 .727 13 .696 2. 220 1 .00 15 .91

A

ATOM 347 CB ILE A 47 - 1 .362 13 .177 3. 649 1 .00 16 .07

A

ATOM 348 CG2 ILE A 47 -2 .121 11 .872 3. 966 1 .00 14 .80

A

ATOM 349 CGl ILE A 47 0 .146 12 .948 3. 762 1 .00 14 .01

A

ATOM 350 CDl ILE A 47 0 .631 11 .703 3. 058 1 .00 14 .89

A

ATOM 351 C ILE A 47 -3 .252 13 .777 2. 147 1 .00 16 .09

A

ATOM 352 O ILE A 47 -3 .846 14 .836 2. 339 1 .00 17 .11

A

ATOM 353 N TRP A 48 -3 .858 12 .626 1. 870 1 .00 15 .27

A

ATOM 354 CA TRP A 48 -5 .305 12 .446 1. 815 1 .00 15 .73

A

ATOM 355 CB TRP A 48 -5 .844 12 .557 0. 385 1 .00 15 .69

A

ATOM 356 CG TRP A 48 -6 .425 13 .898 0. 030 1 .00 14 .41

A

ATOM 357 CD2 TRP A 48 -7 .633 14 .476 0. 543 1 .00 12 .52

A

ATOM 358 CE2 TRP A 48 -7 .792 15 .734 -0. 079 1 .00 12 .46

A

ATOM 359 CE3 TRP A 48 -8 .594 14 .054 1. 471 1 .00 12 .11

A

ATOM 360 CDl TRP A 48 -5 .916 14 .801 -0. 857 1 .00 12 .65

A

ATOM 361 NEl TRP A 48 -6 .731 15 .907 -0. 929 1 .00 12 .92

A

ATOM 362 CZ2 TRP A 48 -8 .877 16 .577 0. 193 1 .00 11 .56

A

ATOM 363 CZ3 TRP A 48 -9 .676 14 .897 1. 744 1 .00 13 .19

A

ATOM 364 CH2 TRP A 48 -9 .804 16 .145 1. 104 1 .00 11 .54

A

ATOM 365 C TRP A 48 -5 .590 11 .035 2. 325 1 .00 16 .96

A

ATOM 366 O TRP A 48 -4 .897 10 .073 1. 961 1 .00 17 .16

A

ATOM 367 N THR A 49 -6 .594 10 .907 3. 183 1 .00 17 .18

A

ATOM 368 CA THR A 49 -6 .962 9 .596 3. 688 1 .00 17 .70

A

ATOM 369 CB THR A 49 -6 .962 9 .548 5. 217 1 .00 18 .15

A

ATOM 370 OGl THR A 49 -7 .971 10 .436 5. 712 1 .00 19 .15

A

ATOM 371 CG2 THR A 49 .602 9 .947 5. 771 1 .00 16 .28

A 129

ATOM 372 C THR A 49 -8.380 9.325 3.225 1.00 18.27

A

ATOM 373 O THR A 49 -9.110 10.250 2.871 1.00 17.42

A

ATOM 374 N ASN A 50 -8.767 8.055 3.219 1.00 19.07

A

ATOM 375 CA ASN A 50 10.118 7.693 2.827 1.00 18.05

A

ATOM 376 CB ASN A 50 10.109 6.459 1.921 1.00 16.74

A

ATOM 377 CG ASN A 50 -9.654 5.198 2.642 1.00 17.58

A

ATOM 378 ODl ASN A 50 -9.205 5.243 3.787 1.00 17.04

A

ATOM 379 ND2 ASN A 50 -9.768 4.062 1.963 1.00 16.55

A

ATOM 380 C ASN A 50 10.879 7.401 4.112 1.00 19.68

A

ATOM 381 O ASN A 50 12.097 7.222 4.104 1.00 20.68

A

ATOM 382 N GLY A 51 10.149 7.369 5.222 1.00 21.06

A

ATOM 383 CA GLY A 51 10.763 7.090 6.508 1.00 22.62

A

ATOM 384 C GLY A 51 10.050 5.964 7.241 1.00 23.63

A

ATOM 385 O GLY A 51 -9.985 5.951 .475 1.00 23.44

A

ATOM 386 N HIS A 52 -9 .511 5.012 6.485 1.00 23.82

A

ATOM 387 CA HIS A 52 -8 .798 3.897 7.090 1.00 25.09

A

ATOM 388 CB HIS A 52 -9 .392 2.560 6.642 1.00 24.46

A

ATOM 389 CG HIS A 52 10 .838 2.402 6.976 1.00 23.75

A

ATOM 390 CD2 HIS A 52 -11.460 2.125 : .146 1.00 23.92

A

ATOM 391 NDl HIS A 52 -11.838 2.542 6.036 1.00 23.72

A

ATOM 392 CEl HIS A 52 -13.011 2.358 6.613 1.00 23.54

A

ATOM 393 NE2 HIS A 52 -12.810 2.103 7.895 1.00 25.17

A

ATOM 394 C HIS A 52 -7.318 3.909 6.748 1.00 25.57

A

ATOM 395 O HIS A 52 -6.470 3.560 7.578 1.00 26.40

A

ATOM 396 N ARG A 53 -6.997 4.302 5.524 1.00 26.01

A

ATOM 397 CA ARG A 53 -5.604 4.317 5.103 1.00 27.69

A

ATOM 398 CB ARG A 53 -5.281 3.021 4.367 1.00 29.16

A

ATOM 399 CG ARG A 53 -5.920 2.903 2.999 1.00 32.45

A 130

ATOM 400 CD ARG A 53 -6 .498 1 .515 2 .763 1. 00 35. 79

A

ATOM 401 NE ARG A 53 -7 .764 1 .322 3 .469 1. 00 38. 83

A

ATOM 402 CZ ARG A 53 -8 .924 1 .085 2 .861 1. 00 39. 87

A

ATOM 403 NHl ARG A 53 .973 1 .009 1 .535 1. 00 38. 72

A

ATOM 404 NH2 ARG A 53 10 .037 0 .932 3 .574 1. 00 40. 38

A

ATOM 405 C ARG A 53 -5 .303 5 .503 4 .195 1. 00 27. 42

A

ATOM 406 O ARG A 53 -6 .212 6 .160 3 .671 1. 00 26. 80

A

ATOM 407 N VAL A 54 -4 .016 5 .785 4 .026 1. 00 25. 93

A

ATOM 408 CA VAL A 54 - 3 .595 6 .881 3 .174 1. 00 25. 46

A

ATOM 409 CB VAL A 54 -2 .074 7 .153 3 .336 1. 00 24. 00

A

ATOM 410 CGl VAL A 54 -1 .638 8 .310 2 .440 1. 00 19. 90

A

ATOM 411 CG2 VAL A 54 -1 .769 7 .474 4 .790 1. 00 23. 02

A

ATOM 412 C VAL A 54 -3 .923 6 .495 1 .730 1. 00 25. 51

A

ATOM 413 O VAL A 54 -3 .683 5 .365 1 .306 1. 00 25. 76

A

ATOM 414 N THR A 55 -4 .495 7 .435 0 .991 1. 00 24. 99

A

ATOM 415 CA THR A 55 -4 .867 7 .205 -0 .396 1. 00 24. 99

A

ATOM 416 CB THR A 55 -6 .350 7 .502 -0 .610 1. 00 25. 98

A

ATOM 417 OGl THR A 55 -6 .624 8 .844 -0 .182 1. 00 26. 45

A

ATOM 418 CG2 THR A 55 -7 .207 6 .523 0 .181 1. 00 25. 70

A

ATOM 419 C THR A 55 -4 .064 8 .133 -1 .296 1. 00 25. 63

A

ATOM 420 O THR A 55 -4 .021 7 .948 -2 .520 1. 00 24. 07

A

ATOM 421 N TYR A 56 -3 .436 9 .132 -0 .675 1. 00 25. 62

A

ATOM 422 CA TYR A 56 _ 2 .630 10 .117 ~ η .389 1. 00 24. 10

A

ATOM 423 CB TYR A 56 -3 .483 11 .330 -1 .759 1. 00 24. 87

A

ATOM 424 CG TYR A 56 -2 .717 12 .365 -2 .548 1. 00 24. 40

A

ATOM 425 CDl TYR A 56 -2 .740 12 .355 -3 .938 1. 00 24. 94

A

ATOM 426 CEl TYR A 56 -1 .977 13 .240 -4 .676 1. 00 24. 03

A

ATOM 427 CD2 TYR A 56 -1 .906 13 .303 _ τ_ .909 1. 00 24. 08

A 131

ATOM 428 CE2 TYR A 56 -1 .131 14 .197 -2 .639 1 .00 24 .33

A

ATOM 429 CZ TYR A 56 „ 2_ .174 14 .154 -4 .024 1 .00 25 .27

A

ATOM 430 OH TYR A 56 -0 .410 15 .015 -4 .771 1 .00 26 .01

A

ATOM 431 C TYR A 56 -1 .423 10 .618 -0 .596 1 .00 23 .81

A

ATOM 432 O TYR A 56 -1 .572 11 .176 0 .491 1 .00 23 .41

A

ATOM 433 N GLN A 57 -0 .226 10 .426 -1 .141 1 .00 24 .02

A

ATOM 434 CA GLN A 57 0 .974 10 .922 -0 .488 1 .00 24 .00

A

ATOM 435 CB GLN A 57 1 .703 9 .821 0 .296 1 .00 23 .91

A

ATOM 436 CG GLN A 57 2 .317 8 .701 -0 .502 1 .00 23 .65

A

ATOM 437 CD GLN A 57 3 .447 8 .018 0 .255 1 .00 23 .50

A

ATOM 438 OEl GLN A 57 3 .945 6 .972 -0 .159 1 .00 24 .97

A

ATOM 439 NE2 GLN A 57 3 .866 8 .616 1 .364 1 .00 23 .20

A

ATOM 440 C GLN A 57 1 .901 11 .576 -1. .510 1 .00 24 .43

A

ATOM 441 O GLN A 57 2 .414 10 .939 -2 , , 426 1 .00 24 , .47

A

ATOM 442 N LYS A 58 2 .075 12 .879 -1. ,328 1 .00 24 , ,50

A

ATOM 443 CA LYS A 58 2. .891 13 .737 -2. 170 1 .00 23 , ,43

A

ATOM 444 CB LYS A 58 2. , 813 15 .161 -1. 622 1 .00 23. ,82

A

ATOM 445 CG LYS A 58 3. ,936 16 .064 -2. 072 1 .00 25. 18

A

ATOM 446 CD LYS A 58 3. 496 17 .104 -3. 092 1 .00 25. 29

A

ATOM 447 CE LYS A 58 2. 857 16 .474 -4. 305 1 .00 26. 68

A

ATOM 448 NZ LYS A 58 1. 496 15 .978 -3. 977 1 .00 29. 18

A

ATOM 449 C LYS A 58 4. 351 13 .314 -2. 280 1 .00 24. 46

A

ATOM 450 O LYS A 58 5. 054 13 .707 -3. 213 1 .00 24. 32

A

ATOM 451 N SER A 59 4. 810 12 .523 - 1 320 1 .00 24. 34

A

ATOM 452 CA SER A 59 6. 191 12 .056 -1. 303 1 .00 21. 97

A

ATOM 453 CB SER A 59 7. 125 13 .223 -0. 988 1 .00 22. 48

A

ATOM 454 OG SER A 59 8. 437 12 .768 -0. 706 1 .00 23. 71

A

ATOM 455 C SER A 59 6. 294 10 .988 -0. 222 1 .00 22. 27

A 132

ATOM 456 O SER A 59 5 .571 11. 048 0.774 1.00 22 .53

A

ATOM 457 N SER A 60 7 .187 10. 019 -0.405 1.00 21 .84

A

ATOM 458 CA SER A 60 7 .325 8. 938 0.567 1.00 22 .48

A

ATOM 459 CB SER A 60 8 .190 7. 813 -0.006 1.00 22 .88

A

ATOM 460 OG SER A 60 9 .518 8. 255 -0.231 1.00 25 .81

A

ATOM 461 C SER A 60 7 .890 9. 386 1.913 1.00 22 .79

A

ATOM 462 O SER A 60 7 .968 8. 592 2.857 1.00 22 .65

A

ATOM 463 N ARG A 61 8 .286 10. 649 2.013 1.00 21 .33

A

ATOM 464 CA ARG A 61 8 .815 11. 137 3.275 1.00 21 .43

A

ATOM 465 CB ARG A 61 9 .726 12. 342 3.065 1.00 22 .65

A

ATOM 466 CG ARG A 61 11 .137 12. 008 2.607 1.00 21 .92

A

ATOM 467 CD ARG A 61 12 .086 13. 107 3.053 1.00 21 .17

A

ATOM 468 NE ARG A 61 11 .576 14. 414 2.667 1.00 20 .20

A

ATOM 469 CZ ARG A 61 11 .651 15. 493 3.432 1.00 21 .39

A

ATOM 470 NHl ARG A 61 12 .220 15. 424 4.632 1.00 18 .79

A

ATOM 471 NH2 ARG A 61 11 .139 16. 640 3.003 1.00 21 .87

A

ATOM 472 C ARG A 61 7 .692 11. 535 4.216 1.00 21 .61

A

ATOM 473 O ARG A 61 7 .946 11. 903 5.361 1.00 21 .97

A

ATOM 474 N TYR A 62 6 .457 11. 466 3.727 1.00 21 .80

A

ATOM 475 CA TYR A 62 5- .282 11. 832 4.518 1.00 23 .04

A <-

ATOM 476 CB TYR A 62 4 .423 12. 831 3.751 1.00 23 .08

A

ATOM 477 CG TYR A 62 5 .140 14. 110 3.409 1.00 23 .98

A

ATOM 478 CDl TYR A 62 5 .281 14. 516 2.086 1.00 24 .10

A

ATOM 479 CEl TYR A 62 5 .889 15. 726 1.764 1.00 25 .68

A

ATOM 480 CD2 TYR A 62 5 .633 14. 942 4.411 1.00 24 .01

A

ATOM 481 CE2 TYR A 62 6 .240 16. 154 4.104 1.00 25 .82

A

ATOM 482 CZ TYR A 62 6 .362 16. 541 2.779 1.00 25 .76

A

ATOM 483 OH TYR A 62 6 .923 17. 755 2.474 1.00 25 .80

A 133

ATOM 484 C TYR A 62 4 .445 10 .611 4 .836 1 .00 23 .12

A

ATOM 485 O TYR A 62 3 .908 9 .977 3 .934 1 .00 22 .29

A

ATOM 486 N ASN A 63 4 .317 10 .291 6 .117 1 .00 23 .83

A

ATOM 487 CA ASN A 63 3 .547 9 .122 6 .506 1 .00 24 .83

A

ATOM 488 CB ASN A 63 4 .476 7 .921 6 .678 1 .00 27 .20

A

ATOM 489 CG ASN A 63 5 .298 7 .636 5 .441 1 .00 30 .59

A

ATOM 490 ODl ASN A 63 4 .755 7 .355 4 .369 1 .00 32 .11

A

ATOM 491 ND2 ASN A 63 6 .619 7 .708 5 .581 1 .00 31 .42

A

ATOM 492 C ASN A 63 2 .729 9 .281 7 .781 1 .00 24 .36

A

ATOM 493 O ASN A 63 3 .121 9 .977 8 .718 1 .00 22 .69

A

ATOM 494 N LEU A 64 1 .578 8 .622 7 .798 1 .00 24 .16

A

ATOM 495 CA LEU A 64 0 .709 8 .619 8 .957 1 .00 24 .03

A

ATOM 496 CB LEU A 64 0 .742 8 .815 8 .524 1 .00 22 , .74

A

ATOM 497 CG LEU A 64 1 .170^' 10 .271 8 .276 1. .00 22 , , 95

A

ATOM 498 CDl LEU A 64 0 .243 10. .942 7 .284 1 .00 20. ,92

A

ATOM 499 CD2 LEU A 64 2, .600 10. .303 7 .770 1. .00 21. 63

A

ATOM 500 C LEU A 64 0, .917 7. ,241 9 .570 1. , 00 24. 63

A

ATOM 501 O LEU A 64 0. ,364 6. ,262 9 .080 1. ,00 26. 32

A

ATOM 502 N LYS A 65 1. 732 7. 162 10 .621 1. 00 25. 37

A

ATOM 503 CA LYS A 65 2. 026 5. 885 11 .267 1. 00 26. 38

A

ATOM 504 CB LYS A 65 3. 501 5. 815 11 .666 1. 00 27. 54

A

ATOM 505 CG LYS A 65 4. 429 5. 401 10 .533 1. 00 29. 81

A

ATOM 506 CD LYS A 65 5. 895 5. 529 10 .931 1. 00 31. 11

A

ATOM 507 CE LYS A 65 6. 188 6. 936 11 .425 1. 00 31. 75

A

ATOM 508 NZ LYS A 65 5. 480 7. 931 10 .566 1. 00 31. 92

A

ATOM 509 C LYS A 65 1. 182 5. 520 12 .476 1. 00 26. 50

A

ATOM 510 O LYS A 65 1. 471 4. 533 13 .148 1. 00 26. 54

A

ATOM 511 N GLY A 66 0. 148 6. 304 12 .761 1. 00 26. 52

A 134

ATOM 512 CA GLY A 66 -0.701 5.994 13.898 1.00 26.53

A

ATOM 513 C GLY A 66 -1.878 5.159 13.438 1.00 26.88

A

ATOM 514 O GLY A 66 -1.954 4.804 12.260 1.00 27.76

A

ATOM 515 N HIS A 67 -2.791 4.833 14.348 1.00 25.83

A

ATOM 516 CA HIS A 67 -3.966 4.054 13.976 1.00 24.67

A

ATOM 517 CB HIS A 67 -4.537 3.329 15.198 1.00 26.42

A

ATOM 518 CG HIS A 67 -3.569 2.384 15.844 1.00 29.19

A

ATOM 519 CD2 HIS A 67 -3.263 1.094 15.566 1.00 30.01

A

ATOM 520 NDl HIS A 67 -2.761 2.748 16.900 1.00 29.73

A

ATOM 521 CEl HIS A 67 -2.000 1.723 17.245 1.00 30.36

A

ATOM 522 NE2 HIS A 67 -2.284 0.708 16.451 1.00 29.81

A

ATOM 523 C HIS A 67 -5.004 5.003 13.372 1.00 23.49

A

ATOM 524 O HIS A 67 -5.863 5.541 14.075 1.00 22.93

A

ATOM 525 N ILE A 68 -4.905 5.200 12.059 1.00 21.97

A

ATOM 526 CA ILE A 68 -5.789 6.102 11.316 1.00 21.72

A

ATOM 527 CB ILE A 68 -5.487 6.027 9.801 1.00 20.03

A

ATOM 528 CG2 ILE A 68 -6.402 6.967 9.036 1.00 21.06

A

ATOM 529 CGl ILE A 68 -4.022 6.390 9.554 1.00 18.91

A

ATOM 530 CDl ILE A 68 -3.595 6.286 8.115 1.00 18.01

A

ATOM 531 C ILE A 68 -7.292 5.898 11.526 1.00 22.05

A

ATOM 532 O ILE A 68 -8.042 6.868 11.648 1.00 21.83

A

ATOM 533 N SER A 69 -7.737 4.647 11.558 1.00 22.94

A

ATOM 534 CA SER A 69 -9.155 4.376 11.748 1.00 23.77

A

ATOM 535 CB SER A 69 -9.486 2.928 11.366 1.00 22.22

A

ATOM 536 OG SER A 69 -8.793 2.005 12.182 1.00 25.31

A

ATOM 537 C SER A 69 -9.584 4.650 13.187 1.00 24.34

A

ATOM 538 O SER A 69 -10.773 4.735 13.478 1.00 25.83

A

ATOM 539 N GLU A 70 -8.620 4.789 14.088 1.00 24.50

A 135

ATOM 540 CA GLU A 70 -8 .942 5. .070 15 .480 1 , .00 25 .09

A

ATOM 541 CB GLU A 70 -7 .862 4 , .510 16 .410 1 , ,00 27 .82

A

ATOM 542 CG GLU A 70 -7 .710 2. .998 16 .353 1. , 00 34 .43

A

ATOM 543 CD GLU A 70 -9 .016 2. ,259 16 .627 1. 00 38 .89

A

ATOM 544 OEl GLU A 70 -9 .938 2. 322 15 .779 1. 00 40 .83

A

ATOM 545 OE2 GLU A 70 -9 .120 1. 616 17 .696 1. 00 41 .40

A

ATOM 546 C GLU A 70 -9 .069 6. 575 15 .696 1. 00 24 .45

A

ATOM 547 O GLU A 70 -9 .654 7. 018 16 .683 1. 00 25 .53

A

ATOM 548 N GLY A 71 -8 .516 7. 357 14 .770 1. 00 22 .76

A

ATOM 549 CA GLY A 71 -8 .581 8. 803 14 .882 1. 00 18 .98

A

ATOM 550 C GLY A 71 -7 .226 9. 492 14 .915 1. 00 17 .60

A

ATOM 551 O GLY A 71 -7 .151 10. 721 14 .931 1. 00 16 .26

A

ATOM 552 N ASP A 72 -6 .147 8. 718 14 .924 1. 00 16 .78

A

ATOM 553 CA ASP A 72 -4 .808 9. 306 14 .957 1. 00 18 .13

A

ATOM 554 CB ASP A 72 -3 .830 8. 356 15 .656 1. 00 19 .55

A

ATOM 555 CG ASP A 72 -2 .511 9. 032 16 .019 1. 00 21 .13

A

ATOM 556 ODl ASP A 72 -2 .097 9. 978 15 .307 1. 00 22. , 03

A

ATOM 557 OD2 ASP A 72 -1 .883 8. 605 17 .015 1. 00 21. ,76

A

ATOM 558 C ASP A 72 -4 .316 9. 579 13 .536 1. 00 16. 77

A

ATOM 559 O ASP A 72 -3 .870 8. 653 12 .848 1. 00 16. 53

A

ATOM 560 N VAL A 73 -4 .392 10. 839 13 .101 1. 00 15. 24

A

ATOM 561 CA VAL A 73 .957 11. 208 11 .752 1. 00 13. 96

A

ATOM 562 CB VAL A 73 .055 12. 004 10 .995 1. 00 13. 40

A

ATOM 563 CGl VAL A 73 -6 .233 11. 108 10 .696 1. 00 13. 72

A

ATOM 564 CG2 VAL A 73 •5 .508 13. 202 11 .819 1. 00 13. 45

A

ATOM 565 C VAL A 73 2 .671 12. 033 11 .739 1. 00 14. 56

A

ATOM 566 O VAL A 73 2 .461 12. 854 10 .841 1. 00 14. 44

A

ATOM 567 N SER A 74 .810 11. 802 12 .725 1. 00 13. 35

A 136

ATOM 568 CA SER A 74 -0 .549 12 .531 12 .841 1. .00 13 .45

A

ATOM 569 CB SER A 74 0 .140 12 .164 14 .155 1 , .00 13 .98

A

ATOM 570 OG SER A 74 -0 .692 12 .483 15 .256 1. , 00 17 .47

A

ATOM 571 C SER A 74 0 .432 12 .335 11 .680 1. 00 12 .63

A

ATOM 572 O SER A 74 0 .718 11 .218 11 .256 1. 00 11 .48

A

ATOM 573 N LEU A 75 0 .955 13 .444 11 .178 1. 00 12 .33

A

ATOM 574 CA LEU A 75 1 .899 13 .407 10 .074 1. 00 12 .88

A

ATOM 575 CB LEU A 75 1 .803 14 .700 9 .256 1. 00 12 .18

A

ATOM 576 CG LEU A 75 2 .811 14 .865 8 .114 1. 00 13 .78

A

ATOM 577 CDl LEU A 75 2 .588 13 .782 7 .057 1. 00 11 .96

A

ATOM 578 CD2 LEU A 75 2 .667 16 .253 7 .509 1. 00 14 .84

A

ATOM 579 C LEU A 75 3 .332 13 .234 10 .557 1. 00 14 .20

A

ATOM 580 O LEU A 75 3 .768 13 , .894 11 .500 1. 00 13 .66

A

ATOM 581 N THR A 76 4 .068 12 , .346 9 .908 1. 00 16 .31

A

ATOM 582 CA THR A 76 5 .455 12. .138 10 .272 1. 00 18 .86

A

ATOM 583 CB THR A 76 5. .704 10. 724 10 .825 1. 00 19 .09

A

ATOM 584 OGl THR A 76 5. .071 10. 591 12 .103 1. 00 20, .05

A

ATOM 585 CG2 THR A 76 7. .200 10. 465 10 .974 1. 00 17 , , 22

A

ATOM 586 C THR A 76 6. 336 12. 340 9 .054 1. 00 20. .58

A

ATOM 587 O THR A 76 6. 253 11. 578 8 .088 1. 00 21. 56

A

ATOM 588 N ILE A 77 7. 168 13. 377 9 .107 1. 00 21. 00

A

ATOM 589 CA ILE A 77 8. 096 13. 694 8 .030 1. 00 21. 47

A

ATOM 590 CB ILE A 77 8. 346 15. 208 7 .948 1. 00 18. 97

A

ATOM 591 CG2 ILE A 77 9. 250 15. 520 6 .783 1. 00 18. 04

A

ATOM 592 CGl ILE A 77 7. 023 15. 945 7 .780 1. 00 15. 84

A

ATOM 593 CDl ILE A 77 7. 154 17. 441 7 .867 1. 00 14. 70

A

ATOM 594 C ILE A 77 9. 415 12. 990 8 .343 1. 00 24. 39

A

ATOM 595 O ILE A 77 10. 122 13. 368 9 .279 1. 00 25. 29

A 137

ATOM 596 N GLU A 78 9.740 11.963 7.564 1.00 26.95

A

ATOM 597 CA GLU A 78 10.967 11.196 7.769 1.00 29.26

A

ATOM 598 CB GLU A 78 10.989 9.985 6.829 1.00 31.28

A

ATOM 599 CG GLU A 78 9.722 9.125 6.838 1.00 35.58

A

ATOM 600 CD GLU A 78 9.340 8.618 8.228 1.00 39.51

A

ATOM 601 OEl GLU A 78 10.249 8.337 9.040 1.00 40.24

A

ATOM 602 OE2 GLU A 78 8.124 8.482 ! .504 1.00 40.39

A

ATOM 603 C GLU A 78 12.223 12.038 7.533 1.00 29.32

A

ATOM 604 O GLU A 78 12.268 12.840 6.603 1.00 31.01

A

ATOM 605 N ASN A 79 13.244 11.840 8.366 1.00 28.05

A

ATOM 606 CA ASN A 79 14.504 12.578 8.250 1.00 27.54

A

ATOM 607 CB ASN A 79 15.402 11.956 7.173 1.00 30.27

A

ATOM 608 CG ASN A 79 15.819 10.529 7.499 1.00 32.57

A

ATOM 609 ODl ASN A 79 15.002 9.610 7.479 1.00 35.33

A

ATOM 610 ND2 ASN A 79 17.098 10.341 7.803 1.00 34.19

A

ATOM 611 C ASN A 79 14.275 14.048 7.907 1.00 26.12

A

ATOM 612 O ASN A 79 14.445 14.456 6.759 1.00 26.81

A

ATOM 613 N SER A 80 13.908 14.849 i .901 1.00 24.65

A

ATOM 614 CA SER A 80 13.644 16.260 i .656 1.00 22.88

A

ATOM 615 CB SER A 80 12.919 16.882 9.847 1.00 22.47

A

ATOM 616 OG SER A 80 13.748 16.896 10.991 1.00 20.78

A

ATOM 617 C SER A 80 14.896 17.064 ! .365 1.00 21.80

A

ATOM 618 O SER A 80 16.006 16.662 i .703 1.00 22.19

A

ATOM 619 N VAL A 81 14.695 18.212 7.732 1.00 20.16

A

ATOM 620 CA VAL A 81 15.783 19.113 7.390 1.00 19.39

A

ATOM 621 CB VAL A 81 16.259 18.902 5.942 1.00 18.60

A

ATOM 622 CGl VAL A 81 16.847 17.514 5.785 1.00 19.54

A

ATOM 623 CG2 VAL A 81 15.096 19.110 4.973 1.00 19.19

A 138

ATOM 624 C VAL A 81 15.290 20.549 7.520 1.00 19.49

A

ATOM 625 O VAL A 81 14.084 20.802 7.519 1.00 19.92

A

ATOM 626 N GLU A 82 16.226 21.484 7.627 1.00 18.89

A

ATOM 627 CA GLU A 82 15.884 22.892 7.738 1.00 19.80

A

ATOM 628 CB GLU A 82 17.113 23.753 7.452 1.00 21.53

A

ATOM 629 CG GLU A 82 18.296 23.538 i .408 1.00 22.89

A

ATOM 630 CD GLU A 82 19.193 22.361 : .025 1.00 23.58

A

ATOM 631 OEl GLU A 82 20.354 22.331 .498 1.00 23.69

A

ATOM 632 OE2 GLU A 82 18.748 21.465 7.267 1.00 22 .66

A

ATOM 633 C GLU A 82 14.771 23.258 6.760 1.00 20 .31

A

ATOM 634 O GLU A 82 13.902 24.065 7.082 1.00 21 .20

A

ATOM 635 N SER A 83 14.794 22.645 5.577 1.00 20 .89

A

ATOM 636 CA SER A 83 13.802 22.894 4.524 1.00 21 .24

A

ATOM 637 CB SER A 83 14.125 22.059 3.284 1.00 20 .91

A

ATOM 638 OG SER A 83 15.395 22.385 2.766 1.00 26 .51

A

ATOM 639 C SER A 83 12.346 22.619 4.905 1.00 21 .30

A

ATOM 640 O SER A 83 11.428 23.238 4.359 1.00 20 .40

A

ATOM 641 N ASP A 84 12.132 21.682 5.820 1.00 19 .46

A

ATOM 642 CA ASP A 84 10.780 21.346 6.229 1.00 18 .81

A

ATOM 643 CB ASP A 84 10.777 20.001 6.959 1.00 18 .18

A

ATOM 644 CG ASP A 84 11.313 18.874 : .092 1.00 18.14

A

ATOM 645 ODl ASP A 84 10.912 18.789 4.911 1.00 18.92

A

ATOM 646 OD2 ASP A 84 12.131 18.068 6.586 1.00 21.39

A

ATOM 647 C ASP A 84 10.110 22.415 7.094 1.00 18.43

A

ATOM 648 O ASP A 84 8.882 22.470 7.172 1.00 18.55

A

ATOM 649 N SER A 85 10.906 23.265 7.736 1.00 17.73

A

ATOM 650 CA SER A 85 10.351 24.316 l .586 1.00 18.66

A

ATOM 651 CB SER A 85 11.463 25.245 9.089 1.00 19.10

A 139

ATOM 652 OG SER A 85 12 .505 24 .512 9 .715 1 .00 19 .34

A

ATOM 653 C SER A 85 9 .318 25 .124 7 .799 1 .00 18 .58

A

ATOM 654 O SER A 85 9 .512 25 .412 6 .618 1 .00 19 .68

A

ATOM 655 N GLY A 86 8 .221 25 .480 8 .457 1 .00 17 .56

A

ATOM 656 CA GLY A 86 7 .175 26 .239 7 .803 1 .00 17 .11

A

ATOM 657 C GLY A 86 5 .831 25 .898 8 .414 1 .00 18 .49

A

ATOM 658 O GLY A 86 5 .771 25 .256 9 .464 1 .00 18 .23

A

ATOM 659 N LEU A 87 4 .750 26 .318 7 .763 1 .00 19 .84

A

ATOM 660 CA LEU A 87 3 .405 26 .049 8 .269 1 .00 20 .20

A

ATOM 661 CB LEU A 87 2 .461 27 .206 7 .936 1 .00 19 .81

A

ATOM 662 CG LEU A 87 2 .809 28 .591 8 .471 1 .00 20 .85

A

ATOM 663 CDl LEU A 87 1 .785 29 .601 7 .970 1 .00 20 .27

A

ATOM 664 CD2 LEU A 87 2 .835 28, .552 9 , .998 1 .00 22 .45

A

ATOM 665 C LEU A 87 2 .829 24. .778 7. ,669 1 .00 19, .96

A

ATOM 666 O LEU A 87 3 .061 24. ,475 6. 501 1 .00 20. , 66

A

ATOM 667 N TYR A 88 2, .084 24. ,033 8. 478 .00 19. ,64

A

ATOM 668 CA TYR A 88 1 , ,442 22. 818 8. 009 1 .00 17. 82

A

ATOM 669 CB TYR A 88 2. ,148 21. 579 8. 545 1 .00 15. 94

A

ATOM 670 CG TYR A 88 3. 504 21. 359 7. 924 1 .00 13. 39

A

ATOM 671 CDl TYR A 88 4. 614 22. 070 8. 361 1 .00 12. 59

A

ATOM 672 CEl TYR A 88 5. 856 21. 901 7. 759 1 .00 12. 57

A

ATOM 673 CD2 TYR A 88 3. 665 20. 466 6. 867 1 .00 13. 73

A

ATOM 674 CE2 TYR A 88 4. 907 20. 289 6. 253 1 .00 12. 32

A

ATOM 675 CZ TYR A 88 5. 995 21. 013 6. 703 1 .00 10. 58

A

ATOM 676 OH TYR A 88 7. 211 20. 876 6. 075 1 .00 9. 45

A

ATOM 677 C TYR A 88 0. 010 22. 838 8. 449 1 .00 18. 82

A

ATOM 678 O TYR A 88 0. 339 23. 381 9. 512 1 .00 17. 09

A

ATOM 679 N CYS A 89 0. 871 22. 249 7. 622 1 .00 18. 79

A 140

ATOM 680 CA CYS A 89 -2 .297 22. 224 7 .890 1. 00 18. 91

A

ATOM 681 C CYS A 89 ~ 2 .890 20. 828 7 .928 1. 00 19. 76

A

ATOM 682 O CYS A 89 -2 .725 20. 045 6 .991 1. 00 19. 70

A

ATOM 683 CB CYS A 89 -3 .036 23. 058 6 .833 1. 00 21. 40

A

ATOM 684 SG CYS A 89 -4 .837 22. 785 6 .811 1. 00 26. 19

A

ATOM 685 N CYS A 90 -3 .575 20. 523 9 .028 1. 00 19. 42

A

ATOM 686 CA CYS A 90 -4 .245 19. 239 9 .196 1. 00 18. 65

A

ATOM 687 C CYS A 90 -5 .734 19. 543 9 .212 1. 00 17. 81

A

ATOM 688 O CYS A 90 -6 .228 20. 218 10 .116 1. 00 15. 66

A

ATOM 689 CB CYS A 90 -3 .848 18. 568 10 .510 1. 00 19. 22

A

ATOM 690 SG CYS A 90 -4 .713 16. 988 10 .826 1. 00 21. 06

A

ATOM 691 N ARG A 91 -6 .443 19. 047 8 .207 1. 00 17. 73

A

ATOM 692 CA ARG A 91 -7 .877 19. 283 8 .100 1. 00 17. 57

A

ATOM 693 CB ARG A 91 -8 .194 19. 922 6 , .751 1. 00 16. 71

A

ATOM 694 CG ARG A 91 -9 .442 20. 753 6. .749 1. 00 17. 39

A

ATOM 695 CD ARG A 91 10 .022 20. 865 5. ,356 1. 00 17. 60

A

ATOM 696 NE ARG A 91 11 .137 21. 797 5. 354 1. 00 16. 80

A

ATOM 697 CZ ARG A 91 10 .998 23. 109 5. 236 1. 00 16. 04

A

ATOM 698 NHl ARG A 91 -9 .796 23. 640 5. 096 1. 00 16. 09

A

ATOM 699 NH2 ARG A 91 12 .058 23. 891 5. 289 1. 00 19. 55

A

ATOM 700 C ARG A 91 -8 .672 17. 989 8. 237 1. 00 17. 75

A

ATOM 701 O ARG A 91 -8 .413 17. 012 7. 535 1. 00 18. 36

A

ATOM 702 N VAL A 92 -9 .639 17. 981 9. 144 1. 00 17. 31

A

ATOM 703 CA VAL A 92 10 .464 16. 801 9. 334 1. 00 17. 88

A

ATOM 704 CB VAL A 92 10 .420 16. 333 10. 793 1. 00 17. 95

A

ATOM 705 CGl VAL A 92 11 .317 15. 113 10. 987 1. 00 16. 64

A

ATOM 706 CG2 VAL A 92 -8 .988 16. 000 11. 166 1. 00 16. 66

A

ATOM 707 C VAL A 92 11 .897 17. 108 8. 924 1. 00 19. 26

A 141

ATOM 708 O VAL A 92 -12 .567 17 .934 9 .541 1 .00 20 .00

A

ATOM 709 N GLU A 93 -12 .359 16 .441 7 .872 1 .00 19 .86

A

ATOM 710 CA GLU A 93 -13 .704 16 .662 7 .362 1 .00 22 .31

A

ATOM 711 CB GLU A 93 -13 .799 16 .163 5 .911 1 .00 20 .36

A

ATOM 712 CG GLU A 93 -12 .709 16 .754 5 .002 1 .00 19 .88

A

ATOM 713 CD GLU A 93 -12 .942 16 .503 3 .514 1 .00 19 .41

A

ATOM 714 OEl GLU A 93 -13 .357 17 .439 2 .796 1 .00 20 .35

A

ATOM 715 OE2 GLU A 93 -12 .709 15 .368 3 .059 1 .00 18 .39

A

ATOM 716 C GLU A 93 -14 .774 16 .014 8 .240 1 .00 24 .94

A

ATOM 717 O GLU A 93 -15 .035 14 .814 8 .157 1 .00 26 .88

A

ATOM 718 N ILE A 94 -15 .384 16 .825 9 .096 1 .00 26 .20

A

ATOM 719 CA ILE A 94 -16 .424 16 .337 9 .993 1 .00 26 .75

A

ATOM 720 CB ILE A 94 -16 .201 16 .819 11 .444 1 .00 28 .02

A

ATOM 721 CG2 ILE A 94 -14. .865 16 .298 11. .984 1. .00 26 .95

A

ATOM 722 CGl ILE A 94 -16. .244 18. .345 11, .492 1. .00 26 .97

A

ATOM 723 CDl ILE A 94 -16. .445 18. .878 12. .876 1. , 00 29 .75

A

ATOM 724 C ILE A 94 -17. 784 16. ,848 9. 526 1. .00 27 .04

A

ATOM 725 O ILE A 94 -17. 864 17. 787 8. 730 1. 00 25 .69

A

ATOM 726 N PRO A 95 -18. 877 16. 235 10. 021 1. 00 28 .05

A

ATOM 727 CD PRO A 95 -18. 905 15. 082 10. 944 1. 00 27 .90

A

ATOM 728 CA PRO A 95 -20. 240 16. 634 9. 649 1. 00 28 .83

A

ATOM 729 CB PRO A 95 -21. 103 15. 850 10. 634 1. 00 27 .46 A ATOM 730 CG PRO A 95 -20. 330 14. 585 10. 804 1. 00 27 .15 A ATOM 731 C PRO A 95 -20. 488 18. 142 9. 725 1. 00 29 .58

A

ATOM 732 O PRO A 95 -19. 871 18. 851 10. 528 1. 00 29 .50

ATOM 733 N GLY A 96 -21. 392 18. 622 8. 879 1. 00 31 .22

A

ATOM 734 CA GLY A 96 -21. 716 20. 035 8. 872 1. 00 32 .93

A

ATOM 735 C GLY A 96 -21. 260 20. 766 7. 624 1. 00 34 .18

A 142

ATOM 736 O GLY A 96 -20 .422 20 .279 6 .865 1 .00 34 .76

A

ATOM 737 N TRP A 97 -21 .809 21 .953 7 .411 1 .00 36 .09

A

ATOM 738 CA TRP A 97 -21 .437 22 .761 6 .255 1 .00 37 .89

A

ATOM 739 CB TRP A 97 -22 .631 23 .623 5 .834 1 .00 39 .02

A

ATOM 740 CG TRP A 97 -22 .588 24 .026 4 .407 1 .00 40 .54

A

ATOM 741 CD2 TRP A 97 -22 .645 23 .140 3 .276 1 .00 41 .36

A

ATOM 742 CE2 TRP A 97 -22 .558 23 .935 2 .119 1 .00 41 .98

A

ATOM 743 CE3 TRP A 97 -22 .761 21 .750 3 .135 1 .00 42 .31

A

ATOM 744 CDl TRP A 97 -22 .473 25 .282 3 .910 1 .00 41 .24

A

ATOM 745 NEl TRP A 97 -22 .453 25 .237 2 .531 1 .00 41 .97

A

ATOM 746 CZ2 TRP A 97 -22 .585 23 .400 0 .831 1 .00 42 .23

A

ATOM 747 CZ3 TRP A 97 -22 .787 21 .205 1 .854 1 .00 43 .26

A

ATOM 748 CH2 TRP A 97 -22 .699 22 .040 0 .711 1 .00 42 .84

A

ATOM 749 C TRP A 97 -20 .267 23 .641 6 .681 1 .00 38 .25

A

ATOM 750 O TRP A 97 -20 .262 24 .132 7 .802 1, .00 37. .46

A

ATOM 751 N PHE A 98 -19. .286 23 , .822 5 .793 1. .00 43. ,20

A

ATOM 752 CA PHE A 98 -18. .109 24 , , 646 6 .081 1. ,00 44. ,00

A

ATOM 753 CB PHE A 98 -18 , ,399 26. ,125 5. .755 1. 00 46. 30

A

ATOM 754 CG PHE A 98 -17. ,240 26. 830 5. .098 1. 00 50. 47

A

ATOM 755 CDl PHE A 98 -16. 849 26. 493 3. 804 1. 00 51. 54

A

ATOM 756 CD2 PHE A 98 ^■16. 518 27. 806 5. 781 1. 00 51. 89

A

ATOM 757 CEl PHE A 98 ^■15. 739 27. 104 3. 207 1. 00 52. 82

A

ATOM 758 CE2 PHE A 98 •15. 407 28. 425 5. 197 1. 00 52. 63

A

ATOM 759 CZ PHE A 98 ^■15. 026 28. 078 3. 909 1. 00 53. 24

A

ATOM 760 C PHE A 98 17. 799 24. 495 7. 578 1. 00 43. 11

A

ATOM 761 O PHE A 98 17. 738 25. 484 8. 321 1. 00 43. 50

A

ATOM 762 N ASN A 99 17. 569 23. 261 8. 014 1. 00 38. 30

A

ATOM 763 CA ASN A 99 17. 375 22. 995 9. 436 1. 00 35. 01

A 143

ATOM 764 CB ASN A 99 •18 .672 22. ,362 9 .942 1 , ,00 34 .82

A

ATOM 765 CG ASN A 99 ^•18 .827 22. 445 11 .428 1. , 00 35 .83

A

ATOM 766 ODl ASN A 99 ^•18 .713 23. 523 12 .010 1. ,00 37 .18

A

ATOM 767 ND2 ASN A 99 19 .115 21. 310 12 .060 1. 00 35 .92

A

ATOM 768 C ASN A 99 ^■16 .188 22. 060 9 .769 1. 00 32 .82

A

ATOM 769 O ASN A 99 16 .226 21. 357 10 .781 1. 00 31 .81

A

ATOM 770 N ASP A 100 15 .132 22. 076 8 .962 1. 00 30 .47

A

ATOM 771 CA ASP A 100 13 .975 21. 209 9 .187 1. 00 28 .78

A

ATOM 772 CB ASP A 100 13 .076 21. 192 7 .945 1. 00 30 .36

A

ATOM 773 CG ASP A 100 13 .750 20. 598 6 .739 1. 00 32 .62

A

ATOM 774 ODl ASP A 100 14 .130 19. 416 6 .786 1. 00 32 .68

A

ATOM 775 OD2 ASP A 100 13 .883 21. 323 5 .736 1. 00 36 .81

A

ATOM llβ C ASP A 100 13 .084 21. 521 10, .377 1. 00 26 .24

A

ATOM 111 O ASP A 100 12 .858 22. 683 10 , ,699 1. 00 25 .30

A

ATOM llβ N GLN A 101 12, .560 20. 474 11. , 016 1. 00 23 .58

A

ATOM 779 CA GLN A 101 11, .630 20. 675 12. ,125 1. 00 22 .64

A

ATOM 780 CB GLN A 101 11, ,425 19. 393 12. 938 1. 00 21 .44

A

ATOM 781 CG GLN A 101 10. ,249 19. 497 13. 901 1. 00 21 .36

A

ATOM 782 CD GLN A 101 10. 012 18. 233 14. 705 1. 00 22 .38

A

ATOM 783 OEl GLN A 101 10. 812 17. 876 15. 571 1. 00 21 .20

A

ATOM 784 NE2 GLN A 101 -8. 903 17. 549 14. 424 1. 00 20 .98

A

ATOM 785 C GLN A 101 10. 296 21. 083 11. 495 1. 00 21 .61

A

ATOM 786 O GLN A 101 -9. 644 20. 278 10. 830 1. 00 20 .72

A

ATOM 787 N LYS A 102 -9. 904 22. 335 11. 695 1. 00 21 .12

A

ATOM 788 CA LYS A 102 p 657 22. 857 11. 134 1. 00 19 .85

A

ATOM 789 CB LYS A 102 -8. 923 24. 148 10. 345 1. 00 19 .89

A

ATOM 790 CG LYS A 102 -9. 873 23. 982 9. 178 1. 00 22 .21

A

ATOM 791 CD LYS A 102 -9. 849 25. 195 8. 265 1. 00 24 .99

A 144

ATOM 792 CE LYS A 102 10 .430 26 .439 8. 923 1. ,00 25. ,22

A

ATOM 793 NZ LYS A 102 10 .401 27 .602 7. 986 1. 00 24. ,85

A

ATOM 794 C LYS A 102 -7 .579 23 .136 12. 181 1. 00 17. 79

A

ATOM 795 O LYS A 102 -7 .813 23 .770 13. 214 1. 00 17. 06

A

ATOM 796 N VAL A 103 -6 .378 22 .665 11. 901 1. 00 15. 51

A

ATOM 797 CA VAL A 103 -5 .280 22 .895 12. 809 1. 00 13. 28

A

ATOM 798 CB VAL A 103 -5 .011 21 .668 13. 699 1. 00 11. 52

A

ATOM 799 CGl VAL A 103 -3 .789 21 .920 14. 566 1. 00 9. 08

A

ATOM 800 CG2 VAL A 103 -6 .222 21 .381 14. 562 1. 00 10. 99

A

ATOM 801 C VAL A 103 -4 .049 23 .220 11. 985 1. 00 14. 73

A

ATOM 802 O VAL A 103 -3 .649 22 .458 11. 093 1. 00 14. 23

A

ATOM 803 N THR A 104 "3. .465 24. .375 12. 276 1. 00 14. 03

A

ATOM 804 CA THR A 104 -2. .278 24 , , 822 11. 573 1. 00 13. 46

A

ATOM 805 CB THR A 104 -2. .370 26. ,315 11. 243 1. 00 12. 46

A

ATOM 806 OGl THR A 104 ,543 26. ,559 10. 462 1. 00 11. 83

A

ATOM 807 CG2 THR A 104 -1. .154 26. 761 10. 474 1. 00 10. 36

A

ATOM 808 C THR A 104 075 24. 601 12. 473 1. 00 13. 24

A

ATOM 809 O THR A 104 -1. 126 24. 894 13. 669 1. 00 12. 71

A

ATOM 810 N PHE A 105 0. 002 24. 075 11. 904 1. 00 12. 94

A

ATOM 811 CA PHE A 105 1. 207 23. 853 12. 679 1. 00 14. 98

A

ATOM 812 CB PHE A 105 1. 669 22. 387 12. 601 1. 00 15. 46

A

ATOM 813 CG PHE A 105 0. 646 21. 394 13. 056 1. 00 12. 97

A

ATOM 814 CDl PHE A 105 -0. 446 21. 093 12. 259 1. 00 14. 61

A

ATOM 815 CD2 PHE A 105 0. 785 20. 745 14. 275 1. 00 14. 74

A

ATOM 816 CEl PHE A 105 -1. 393 20. 151 12. 666 1. 00 15. 82

A

ATOM 817 CE2 PHE A 105 -0. 155 19. 798 14. 697 1. 00 14. 66

A

ATOM 818 CZ PHE A 105 -1. 246 19. 502 13. 890 1. 00 15. 02

A

ATOM 819 C PHE A 105 2. 335 24. 747 12. 173 1. 00 16. 86

A 145

ATOM 820 O PHE A 105 2 .406 25 .103 10. ,989 1, ,00 17 .66

A

ATOM 821 N SER A 106 3 .217 25 .101 13. 095 1 , .00 17 .90

A

ATOM 822 CA SER A 106 4 .374 25 .922 12. 805 1. , 00 18 .31

A ATOM 823 CB SER A 106 4 .317 27 .182 13. 659 1. ,00 19 .11

A ATOM 824 OG SER A 106 5 .608 27 .649 13. 967 1. 00 23 .19

A

ATOM 825 C SER A 106 5 .550 25 .037 13. 191 1. 00 17 .38

A Λ

ATOM 826 O SER A 106 5 .848 24 .871 14. 374 1. 00 17 .27

A ATOM 827 N LEU A 107 6 .194 24 .456 12. 182 1. 00 18 .25

A

ATOM 828 CA LEU A 107 7 .319 23 .541 12. 374 1. 00 19 .44

ATOM 829 CB LEU A 107 7 .220 22 .395 11. 362 1. 00 16 .84

A

ATOM 830 CG LEU A 107 7 .799 21 .004 11. 652 1. 00 15 .51

A ATOM 831 CDl LEU A 107 8 .172 20 .374 10. 322 1. 00 15 .18

A ATOM 832 CD2 LEU A 107 9 .023 21 .066 12. 537 1. 00 15 .57

A

ATOM 833 C LEU A 107 8 .691 24 .198 12. 225 1. 00 21 .40

A ATOM 834 O LEU A 107 8 .903 25 .042 11. 345 1. 00 22 .50

A

ATOM 835 N GLN A 108 9 .623 23 .793 13. 085 1. 00 22 .83

A ATOM 836 CA GLN A 108 10, .988 24 .298 13. 045 1. 00 24 .08

A ATOM 837 CB GLN A 108 11. ,246 25 .283 14. 172 1. 00 27 .46

A ATOM 838 CG GLN A 108 10. .381 26 .499 14. 125 1. 00 33 .32

A

ATOM 839 CD GLN A 108 11. ,105 27 .702 14. 666 1. 00 39 .33

A

ATOM 840 OEl GLN A 108 11. 680 27 .660 15. 755 1. 00 42 .16

A ATOM 841 NE2 GLN A 108 11. 091 28 .789 13. 903 1. 00 42 .43

ATOM 842 C GLN A 108 11. 957 23 .148 13. 189 1. 00 23 .49

A

ATOM 843 O GLN A 108 11. 974 22 .470 14. 216 1. 00 23 .48

A ATOM 844 N VAL A 109 12. 759 22 .931 12. 153 1. 00 22 .74

A

ATOM 845 CA VAL A 109 13. 744 21 .863 12. 169 1. 00 21 .59

A ATOM 846 CB VAL A 109 13. 587 20 .913 10. 960 1. 00 19 .92 A ATOM 847 CGl VAL A 109 14. 566 19 .743 11. 085 1. 00 18 .27 A 146

ATOM 848 CG2 VAL A 109 12 .165 20 .399 10 .888 1 .00 18 .87

ATOM 849 C VAL A 109 15 .120 22 .498 12 .122 1 .00 21 .76

A

ATOM 850 O VAL A 109 15 .524 23 .062 11 .105 1 .00 22 .74

A

ATOM 851 N LYS A 110 15 .831 22 .419 13 .236 1 .00 21 .30

A

ATOM 852 CA LYS A 110 17 .161 22 .986 13 .312 1 .00 22 .29

A

ATOM 853 CB LYS A 110 17 .235 24 .014 14 .444 1 .00 22 .65

A ATOM 854 CG LYS A 110 16 .509 25 .317 14 .142 1 .00 21 .72 A ATOM 855 CD LYS A 110 16 .726 26 .329 15 .248 1 .00 23 .72

A

ATOM 856 CE LYS A 110 16 .310 27 .725 14 .820 1 .00 25 .38

A

ATOM 857 NZ LYS A 110 14 .867 27 .789 14 .470 1 .00 28 .71 A ATOM 858 C LYS A 110 18 .181 21 .889 13 .547 1 .00 22 .62

A

ATOM 859 O LYS A 110 17 .836 20 .803 14 .006 1 .00 22 .34

A ATOM 860 N PRO A 111 19 .450 22 .146 13 .195 1 .00 23 .02 A ATOM 861 CD PRO A 111 19 .987 23 .266 12 .403 1 .00 22 .49

ATOM 862 CA PRO A 111 20 .475 21 .127 13 , .413 1, .00 23 .40

Λ

ATOM 863 CB PRO A 111 21 .728 21, .761 12 , .820 1 , .00 22, .87

Ά ATOM 864 CG PRO A 111 21 .174 22. , 624 11. ,728 1. ,00 24. .15 A ATOM 865 C PRO A 111 20. .595 20. , 917 14. ,918 1. 00 23. ,65

A

ATOM 866 O PRO A 111 20. .470 21. 860 15. 700 1. 00 24. 29 A ATOM 867 N GLU A 112 20. ,820 19. 672 15. 305 1. 00 23. 60 A ATOM 868 CA GLU A 112 20. 954 19. 266 16. 696 1. 00 24. 91

A

ATOM 869 CB GLU A 112 20. 751 17. 756 16. 748 1. 00 26. 79 A ATOM 870 CG GLU A 112 21. 364 17. 004 17. 888 1. 00 29. 56

Ά ATOM 871 CD GLU A 112 21. 129 15. 511 17. 725 1. 00 32. 26

A

ATOM 872 OEl GLU A 112 21. 472 14. 970 16. 649 1. 00 33. 36

Λ

ATOM 873 OE2 GLU A 112 20. 593 14. 876 18. 659 1. 00 32. 80

ATOM 874 C GLU A 112 22. 300 19. 665 17. 268 1. 00 24. 52

A

ATOM 875 O GLU A 112 22. 458 19. 848 18. 476 1. 00 24. 63 A 147

ATOM 876 N LEU A 113 23.275 19.804 16.387 1.00 24.50

A

ATOM 877 CA LEU A 113 24.612 20.191 16.801 1.00 24.83

A

ATOM 878 CB LEU A 113 25.568 18.996 16.704 1.00 24.46

A

ATOM 879 CG LEU A 113 27.068 19.308 16.834 1.00 25.44

A

ATOM 880 CDl LEU A 113 27.433 19.545 18.295 1.00 23.22

A

ATOM 881 CD2 LEU A 113 27.878 18.146 16.272 1.00 24.17

A

ATOM 882 C LEU A 113 25.089 21.266 15.838 1.00 25.66

A

ATOM 883 O LEU A 113 25.090 21.062 14.636 1.00 27.25

A

ATOM 884 N VAL A 114 25.435 22.421 16.349 1.00 26.47

A

ATOM 885 CA VAL A 114 25.965 23.394 15.483 1.00 29.70

A

ATOM 886 CB VAL A 114 25.395 24.754 15.717 1.00 27.61

A

ATOM 887 CGl VAL A 114 26.175 25.773 14.957 1.00 27.09

A

ATOM 888 CG2 VAL A 114 23.944 24.736 15.289 1.00 26.06

A

ATOM 889 C VAL A 114 27.379 23.422 15.995 1.00 32.89

A

ATOM 890 O VAL A 114 27.644 24.033 17.017 1.00 32.68

A

ATOM 891 N PRO A 115 28.317 22.746 15.334 1.00 35.79

A

ATOM 892 CD PRO A 115 28.458 21.465 14.624 1.00 36.64

A

ATOM 893 CA PRO A 115 29.506 23.037 16.137 1.00 39.88

A

ATOM 894 CB PRO A 115 30.453 21.874 15.784 1.00 38.40

A

ATOM 895 CG PRO A 115 29.913 21.397 14.423 1.00 38.40

A

ATOM 896 C PRO A 115 30.024 24.445 15.828 1.00 43.67

A

ATOM 897 O PRO A 115 29.236 25.421 15.976 1.00 45.11

A

ATOM 898 N ARG A 116 31.341 24.534 15.659 1.00 47.78

A

ATOM 899 CA ARG A 116 31.960 25.719 15.176 1.00 51.28

A

ATOM 900 CB ARG A 116 33.390 25.728 15.762 1.00 51.76

A

ATOM 901 CG ARG A 116 33.234 25.842 17.360 1.00 53.78

A

ATOM 902 CD ARG A 116 34.101 24.849 18.166 1.00 55.67

A

ATOM 903 NE ARG A 116 34.374 25.576 19.407 1.00 57.07

A 148

ATOM 904 CZ ARG A 116 35 .262 25 .317 20 .410 1 .00 57 .75

A

ATOM 905 NHl ARG A 116 36 .141 24 .257 20 .495 1 .00 59 .32

A

ATOM 906 NH2 ARG A 116 35 .327 26 .241 21 .393 1 .00 58 .29

A

ATOM 907 C ARG A 116 31 .402 25 .020 13 .850 1 .00 51 .98

A

ATOM 908 O ARG A 116 30 .124 25 .290 13 .657 1 .00 52 .14

A

ATOM 909 OXT ARG A 116 31 .939 24 .280 12 .946 1 .00 53 .29

A

ATOM 910 CB MET B 1 -10 .364 38 .043 22 .142 1 .00 71 .72

B

ATOM 911 CG MET B 1 -10 .904 38 .210 20 .713 1 .00 73 .66

B

ATOM 912 SD MET B 1 -12 .712 38 .414 20 .619 1 .00 76 .28

B

ATOM 913 CE MET B 1 -12 .909 39 .969 19 .719 1 .00 74 .99

B

ATOM 914 C MET B 1 -9 .285 35 .830 22 .705 1 .00 68 .51

B

ATOM 915 O MET B 1 -8 .779 35 .434 23 .758 1 .00 69 .71

B

ATOM 916 N MET B 1 -8. .330 37 .328 20 .922 1 .00 69 .75

B

ATOM 917 CA MET B 1 -9. .037 37 .270 22 .232 1, .00 69 .63

B

ATOM 918 N ASP B 2 -10 , .038 35 .048 21. .921 1. .00 66, .71

B

ATOM 919 CA ASP B 2 -10. ,368 33. .655 22. ,276 1. , 00 64. ,15

B

ATOM 920 CB ASP B 2 -11. 512 33. , 642 23. 294 1. 00 65. ,49

B

ATOM 921 CG ASP B 2 -11. 025 33. ,470 24. 712 1. 00 66. 14

B

ATOM 922 ODl ASP B 2 -9. 795 33. 485 24. 916 1. 00 66. 24

B

ATOM 923 OD2 ASP B 2 -11. 871 33. 320 25. 620 1. 00 65. 87

B

ATOM 924 C ASP B 2 -10. 747 32. 687 21. 143 1. 00 61. 91

B

ATOM 925 O ASP B 2 -10. 930 33. 083 19. 994 1. 00 62. 45

B

ATOM 926 N SER B 3 •10. 882 31. 408 21. 494 1. 00 57. 61

B

ATOM 927 CA SER B 3 ^■11. 255 30. 357 20. 542 1. 00 53. 31

B

ATOM 928 CB SER B 3 -10. 025 29. 918 19. 728 1. 00 53. 31

B

ATOM 929 OG SER B 3 ^■10. 237 28. 683 19. 061 1. 00 52. 88

B

ATOM 930 C SER B 3 ^•11. 865 29. 155 21. 277 1. 00 49. 86

B

ATOM 931 O SER B 3 11. 146 28. 374 21. 909 1. 00 49. 78

B 149

ATOM 932 N TYR B 4 -13 .190 29 .017 21. .187 1 .00 45 .42

B

ATOM 933 CA TYR B 4 -13 .921 27 .929 21. .846 1 .00 40 , .46

B

ATOM 934 CB TYR B 4 -15 .159 28 .470 22. ,555 1 .00 40 , .52

B

ATOM 935 CG TYR B 4 -14 .955 29 .343 23. 772 1 .00 41. ,49

B

ATOM 936 CDl TYR B 4 -16 .038 30 .021 24. 326 1 .00 41. 64

B

ATOM 937 CEl TYR B 4 -15 .896 30 .825 25. 452 1 .00 42. 63

B

ATOM 938 CD2 TYR B 4 -13 .708 29 .488 24. 381 1 .00 42. 15

B

ATOM 939 CE2 TYR B 4 -13 .553 30 .297 25. 522 1 .00 42. 42

B

ATOM 940 CZ TYR B 4 -14 .658 30 .962 26. 046 1 .00 42. 72

B

ATOM 941 OH TYR B 4 -14 .539 31 .774 27. 154 1 .00 43. 29

B

ATOM 942 C TYR B 4 -14 .432 26 .847 20. 891 1 .00 37. 23

B

ATOM 943 O TYR B 4 -14 .638 27 .093 19. 705 1 .00 35. 41

B

ATOM 944 N VAL B 5 -14 .656 25 .649 21. 422 1 .00 33. 76

B

ATOM 945 CA VAL B 5 -15 .222 24 .572 20. 624 1 .00 30. 19

B

ATOM 946 CB VAL B 5 -14 .626 23 .198 20. 975 1. .00 30. 44

B

ATOM 947 CGl VAL B 5 -15 .551 22 .097 20. 479 1. , 00 29. 51

B

ATOM 948 CG2 VAL B 5 -13 .263 23. .038 20. 327 1. ,00 30. 07

B

ATOM 949 C VAL B 5 -16 .696 24. ,560 21. 001 1. 00 28. 82

B

ATOM 950 O VAL B 5 -17 .041 24. 317 22. 156 1. 00 28. 13

B

ATOM 951 N GLU B 6 -17 .565 24. 833 20. 038 1. 00 26. 95

B

ATOM 952 CA GLU B 6 -18 .997 24. 851 20. 308 1. 00 25. 15

B

ATOM 953 CB GLU B 6 ^■19 .697 25. 874 19. 417 1. 00 26. 64

B

ATOM 954 CG GLU B 6 -19 .300 27. 308 19. 668 1. 00 27. 19

B

ATOM 955 CD GLU B 6 20 .141 28. 269 18. 867 1. 00 28. 99

B

ATOM 956 OEl GLU B 6 ^■19 .915 29. 495 18. 965 1. 00 29. 66

B

ATOM 957 OE2 GLU B 6 21 .036 27. 793 18. 135 1. 00 31. 15

B

ATOM 958 C GLU B 6 ^■19 .654 23. 498 20. 101 1. 00 23. 92

B

ATOM 959 O GLU B 6 19 .412 22. 824 19. 099 1. 00 23. 17

B 150

ATOM 960 N VAL B 7 -20 .495 23 .110 21 .052 1 .00 23 .39

ATOM 961 CA VAL B 7 -21 .205 21 .842 20 .968 1 .00 22 .61

ATOM 962 CB VAL B 7 -20 .670 20 .824 22 .007 1 .00 22 .53

ATOM 963 CGl VAL B 7 -21 .338 19 .473 21 .809 1 .00 22 .42

Cπt

ATOM 964 CG2 VAL B 7 -19 .163 20 .688 21 .872 1 .00 24 .72

B ATOM 965 C VAL B 7 -22 .689 22 .081 21 .224 1 .00 22 .14

B ATOM 966 O VAL B 7 -23 .056 22 .820 22 .137 1 .00 21 .90 B ATOM 967 N LYS B 8 -23 .532 21 .464 20 .401 1 .00 22 .46

ATOM 968 CA LYS B 8 -24 .980 21 .585 20 .537 1 .00 23 .78

ATOM 969 CB LYS B 8 -25 .630 21 .974 19 .207 1 .00 23 .98 π

ATOM 970 CG LYS B 8 -25 .262 23 .360 18 .694 1 .00 26 .31 a

ATOM 971 CD LYS B 8 -25 .668 24 .448 19 .675 1 .00 28 .00

ATOM 972 CE LYS B 8 -25 .592 25 .829 19 .034 1 .00 31 .38

ATOM 973 NZ LYS B 8 -24 .222 26. .159 18 .543 1 .00 32 .22

ATOM 974 C LYS B 8 -25 .541 20 , .245 20 .990 1. .00 23 .83

B

ATOM 975 O LYS B 8 -25. .232 19. ,209 20. .406 1. .00 23 .56

ATOM 976 N GLY B 9 -26. .361 20. 273 22. .036 1, ,00 24 .54

ATOM 977 CA GLY B 9 -26. ,955 19. 052 22. ,550 1. ,00 24 .18 B ATOM 978 C GLY B 9 -28. 468 19. 143 22. 656 1. 00 23 .46 B ATOM 979 O GLY B 9 -29. 034 20. 240 22. 672 1. 00 24 .15 π JJ

ATOM 980 N VAL B 10 -29. 118 17. 986 22. 732 1. 00 21 .91

ATOM 981 CA VAL B 10 -30. 571 17. 911 22. 838 1. 00 20 .54 B ATOM 982 CB VAL B 10 -31. 147 17. 130 21. 625 1. 00 21 .65 ri ATOM 983 CGl VAL B 10 -32. 261 16. 203 22. 050 1. 00 21 .62

ATOM 984 CG2 VAL B 10 -31. 671 18. 109 20. 606 1. 00 21 .59

ATOM 985 C VAL B 10 -31. 013 17. 264 24. 160 1. 00 19 .16

ATOM 986 O VAL B 10 -30. 623 16. 135 24. 463 1. 00 18 .68

R

ATOM 987 N VAL B 11 -31. 824 17. 987 24. 935 1. 00 16 .83 B 151

ATOM 988 CA VAL B 11 -32 .313 17 .499 26 .221 1 .00 15 .84 π 15

ATOM 989 CB VAL B 11 -33 .457 18 .367 26 .764 1 .00 14 .22 B ATOM 990 CGl VAL B 11 -33 .982 17 .768 28 .062 1 .00 13 .86

ATOM 991 CG2 VAL B 11 -32 .970 19 .788 26 .992 1 .00 12 .88

ATOM 992 C VAL B 11 -32 .823 16 .073 26 .127 1 .00 16 .90

ATOM 993 O VAL B 11 -33 .516 15 .723 25 .178 1 .00 16 .15

B

ATOM 994 N GLY B 12 -32 .473 15 .258 27 .119 1 .00 17 .88 Ή ATOM 995 CA GLY B 12 -32 .902 13 .871 27 .131 1 .00 19 .76 π

ATOM 996 C GLY B 12 -31 .943 12 .944 26 .404 1 .00 20 .78

ATOM 997 O GLY B 12 -31 .986 11 .731 26 .590 1 .00 22 .15

B

ATOM 998 N HIS B 13 -31. .075 13 .514 25 .576 1 .00 20 .69

ATOM 999 CA HIS B 13 -30. .110 12 .729 24. .815 1 .00 20 .11 ri ATOM 1000 CB HIS B 13 -30. .097 13 .167 23. .349 1. .00 20. .73 B ATOM 1001 CG HIS B 13 -31. .416 13 .016 22. , 657 1 , , 00 22. .75 π JD

ATOM 1002 CD2 HIS B 13 -31. ,742 12. .429 21. 481 1. .00 22. .55 B ATOM 1003 NDl HIS B 13 -32. .585 13 , .540 23. 162 1. 00 22. 41 B ATOM 1004 CEl HIS B 13 -33. 578 13. ,285 22. 326 1. 00 23. 92

ATOM 1005 NE2 HIS B 13 -33. 092 12. 613 21. 299 1. 00 24. 38 B ATOM 1006 C HIS B 13 -28. 715 12. 910 25. 379 1. 00 19. 19

ATOM 1007 O HIS B 13 -28. 417 13. 916 26. 015 1. 00 20. 27 π JD

ATOM 1008 N PRO B 14 -27. 843 11. 920 25. 177 1. 00 17. 62 π ATOM 1009 CD PRO B 14 -28. 030 10. 589 24. 572 1. 00 16. 95

ATOM 1010 CA PRO B 14 -26. 490 12. 074 25. 699 1. 00 15. 39

ATOM 1011 CB PRO B 14 -25. 933 10. 658 25. 606 1. 00 15. 80 B ATOM 1012 CG PRO B 14 -26. 598 10. 132 24. 363 1. 00 15. 65

ATOM 1013 C PRO B 14 -25. 773 13. 050 24. 776 1. 00 14. 32

ATOM 1014 O PRO B 14 -25. 996 13. 048 23. 568 1. 00 14. 68

ATOM 1015 N VAL B 15 -24. 927 13. 902 25. 331 1. 00 14. 01 B 152

ATOM 1016 CA VAL B 15 -24 .206 14 .853 24 .499 1 .00 13 .86

ATOM 1017 CB VAL B 15 -24 .564 16 .309 24 .892 1 .00 13 .84 π £5

ATOM 1018 CGl VAL B 15 -24 .369 16 .508 26 .384 1 .00 13 .77

ATOM 1019 CG2 VAL B 15 -23 .710 17 .296 24 .102 1 .00 14 .76

B ATOM 1020 C VAL B 15 -22 .713 14 .591 24 .663 1 .00 13 .06

ATOM 1021 O VAL B 15 -22 .259 14 .223 25 .747 1 .00 12 .89 a

ATOM 1022 N THR B 16 -21 .947 14 .756 23 .588 1 .00 13 .34 a ATOM 1023 CA THR B 16 -20 .515 14 .509 23 .662 1 .00 14 .12

ATOM 1024 CB THR B 16 -20 .109 13 .342 22 .755 1 .00 13 .78 B ATOM 1025 OGl THR B 16 -20 .615 12 .118 23 .300 1 .00 15 .96

T D3

ATOM 1026 CG2 THR B 16 -18 .609 13 .253 22 .649 1 .00 16 .15 ATOM 1027 C THR B 16 -19 .632 15 .702 23 .337 1 .00 14 .41

ATOM 1028 O THR B 16 -19 .917 16 .486 22 .431 1. .00 15 .07

ATOM 1029 N LEU B 17 -18 .565 15 .836 24 , .117 1, .00 15 .32 B ATOM 1030 CA LEU B 17 -17 .585 16 .895 23. , 943 1, , 00 16, .42

ATOM 1031 CB LEU B 17 -17 .342 17 .630 25. ,263 1. ,00 16. .01

ATOM 1032 CG LEU B 17 -18, .566 18 .274 25. 919 1. 00 16. 62 B ATOM 1033 CDl LEU B 17 -18 , ,124 19, .039 27. 165 1. 00 17. 32 π

ATOM 1034 CD2 LEU B 17 -19. ,240 19, ,210 24. 946 1. 00 13. 74

ATOM 1035 C LEU B 17 -16. 318 16. 173 23. 493 1. 00 17. 15 B ATOM 1036 O LEU B 17 -15. 597 15. 577 24. 308 1. 00 17. 03

ATOM 1037 N PRO B 18 -16. 044 16. 195 22. 183 1. 00 16. 58 B ATOM 1038 CD PRO B 18 -16. 893 16. 738 21. 114 1. 00 16. 25 B ATOM 1039 CA PRO B 18 -14. 864 15. 534 21. 621 1. 00 15. 78

ATOM 1040 CB PRO B 18 -15. 066 15. 679 20. 114 1. 00 15. 01

R

ATOM 1041 CG PRO B 18 -16. 554 15. 826 19. 974 1. 00 16. 73 B ATOM 1042 C PRO B 18 -13. 565 16. 163 22. 076 1. 00 15. 97 B ATOM 1043 O PRO B 18 -13. 388 17. 377 21. 996 1. 00 17. 52 B 153

ATOM 1044 N CYS B 19 ^■12 .659 15 .329 22 .562 1 .00 15 .35

B

ATOM 1045 CA CYS B 19 •11 .361 15 .799 23 . Oil 1 .00 15 .69

B

ATOM 1046 C CYS B 19 ^■10 .395 14 .628 22 .834 1 .00 15 .37

B

ATOM 1047 O CYS B 19 ^■10 .573 13 .562 23 .438 1 .00 14 .67

B

ATOM 1048 CB CYS B 19 11 .430 16 .242 24 .474 1 .00 16 .35

B

ATOM 1049 SG CYS B 19 -9 .927 17 .099 25 .032 1 .00 21 .01

B

ATOM 1050 N THR B 20 -9 .391 14 .823 21 .985 1 .00 13 .35 a ATOM 1051 CA THR B 20 ~ pO .413 13 .779 21 .696 1 .00 12 .15

B

ATOM 1052 CB THR B 20 .692 13 .123 20 .329 1 .00 11 .54

B

ATOM 1053 OGl THR B 20 -8 .524 14 .101 19 .292 1 .00 10 .21

B

ATOM 1054 CG2 THR B 20 10 .106 12 .572 20 .277 1 .00 10 .42

B

ATOM 1055 C THR B 20 -6 .992 14 .322 21 .653 1 .00 10 .49 π B ATOM 1056 O THR B 20 -6 .785 15 .531 21 .534 1, .00 9 .17

B

ATOM 1057 N TYR B 21 -6. .021 13 .417 21, .752 1, .00 10 .24

B

ATOM 1058 CA TYR B 21 -4. .610 13. .783 21 , , 697 1. , 00 10, , 76

B

ATOM 1059 CB TYR B 21 -4. 104 14. ,218 23. ,083 1. ,00 10. ,91

B

ATOM 1060 CG TYR B 21 -3. 816 13. ,089 24. 050 1. 00 12. 06

B

ATOM 1061 CDl TYR B 21 -2. 527 12. 562 24. 178 1. 00 11. 76

B

ATOM 1062 CEl TYR B 21 -2. 259 11. 514 25. 055 1. 00 10. 90

ID

ATOM 1063 CD2 TYR B 21 -4. 832 12. 538 24. 828 1. 00 10. 76

B

ATOM 1064 CE2 TYR B 21 -4. 576 11. 492 25. 708 1. 00 10. 60

B

ATOM 1065 CZ TYR B 21 -3. 289 10. 982 25. 818 1. 00 10. 87

B

ATOM 1066 OH TYR B 21 -3. 039 9. 940 26. 688 1. 00 12. 19

B

ATOM 1067 C TYR B 21 -3. 837 12. 574 21. 193 1. 00 11. 04

B

ATOM 1068 O TYR B 21 -4. 293 11. 438 21. 337 1. 00 10. 83

B

ATOM 1069 N SER B 22 -2. 673 12. 814 20. 596 1. 00 12. 10

B

ATOM 1070 CA SER B 22 -1. 868 11. 722 20. 067 1. 00 12. 04 π £5

ATOM 1071 CB SER B 22 -1. 026 12. 206 18. 893 1. 00 12. 52

B 154

ATOM 1072 OG SER B 22 -0 .218 11 .154 18 .397 1 .00 13 .18

B

ATOM 1073 C SER B 22 -0 .962 11 .114 21 .124 1 .00 13 .76

B

ATOM 1074 O SER B 22 -0 .284 11 .825 21 .871 1 .00 12 .69

B

ATOM 1075 N THR B 23 -0 .945 9 .788 21 .179 1 .00 14 .20

B

ATOM 1076 CA THR B 23 -0 .121 9 .091 22 .153 1 .00 15 .73

B

ATOM 1077 CB THR B 23 -0 .838 7 .815 22 .653 1 .00 14 .81

B

ATOM 1078 OGl THR B 23 -1 .039 6 .913 21 .559 1 .00 14 .05

JrS ATOM 1079 CG2 THR B 23 „ 2 .195 8 .170 23 .252 1 .00 11 .79

B

ATOM 1080 C THR B 23 1 .250 8 .713 21 .578 1 .00 17 .23

B

ATOM 1081 O THR B 23 1 .909 7 .809 22 .093 1 .00 18 .02

R

ATOM 1082 N TYR B 24 1 .680 9 .423 20 .530 1 .00 17 .95

-n

JJ

ATOM 1083 CA TYR B 24 2 .961 9 .153 19 .864 1 .00 20 .45

B

ATOM 1084 CB TYR B 24 3 .158 10 .093 18 .677 1 .00 18 .77

B

ATOM 1085 CG TYR B 24 3 .575 11 .493 19 .065 1. .00 19 .62

B

ATOM 1086 CDl TYR B 24 4 , .764 12 .044 18 , .586 1, .00 19 .50

^" -RD

ATOM 1087 CEl TYR B 24 .132 13 .353 18. , 895 1. , 00 18 , , 53

B

ATOM 1088 CD2 TYR B 24 2. 764 12. ,286 19. 873 1. 00 19. ,68

B

ATOM 1089 CE2 TYR B 24 3. 123 13. ,592 20. 185 1. 00 19. 48

B

ATOM 1090 CZ TYR B 24 4. 306 14. 120 19. 692 1. 00 19. 58

B

ATOM 1091 OH TYR B 24 4. 646 15. 423 19. 982 1. 00 20. 79

B

ATOM 1092 C TYR B 24 4. 180 9. 256 20. 784 1. 00 21. 15

B

ATOM 1093 O TYR B 24 5. 224 8. 659 20. 517 1. 00 20. 12

B

ATOM 1094 N ARG B 25 4. 052 10. 040 21. 847 1. 00 23. 04

B

ATOM 1095 CA ARG B 25 5. 127 10. 190 22. 813 1. 00 24. 22

B

ATOM 1096 CB ARG B 25 5. 495 11. 666 23. 013 1. 00 23. 56

B

ATOM 1097 CG ARG B 25 6. 286 12. 273 21. 847 1. 00 24. 88

B

ATOM 1098 CD ARG B 25 7. 684 11. 667 21. 722 1. 00 22. 72

ATOM 1099 NE ARG B 25 8. 440 12. 208 20. 588 1. 00 28. 14

B 155

ATOM 1100 CZ ARG B 25 8 .329 11 .795 19 .322 1 .00 28 .59

B

ATOM 1101 NHl ARG B 25 7 .488 10 .821 19 .000 1 .00 26 .47

B

ATOM 1102 NH2 ARG B 25 9 .065 12 .357 18 .370 1 .00 28 .28

B

ATOM 1103 C ARG B 25 4 .629 9 .585 24 .109 1 .00 25 .31

B

ATOM 1104 O ARG B 25 5 .074 9 .960 25 .192 1 .00 27 .54

B

ATOM 1105 N GLY B 26 3 .695 8 .644 23 .982 1 .00 25 .78

B

ATOM 1106 CA GLY B 26 3 .142 7 .975 25 .150 1 .00 25 .77

B

ATOM 1107 C GLY B 26 1 .861 8 .589 25 .679 1 .00 25 .12

B

ATOM 1108 O GLY B 26 1 .501 9 .702 25 .293 1 .00 24 .45

B

ATOM 1109 N ILE B 27 1 .173 7 .862 26 .562 1 .00 24 .20

B

ATOM 1110 CA ILE B 27 0 .076 8 .341 27 .154 1 .00 23 .18

B

ATOM 1111 CB ILE B 27 0 .927 7 .201 27 .717 1 .00 23 .02 ri

ATOM 1112 CG2 ILE B 27 1 .321 6 .244 26 .617 1 .00 22 .90

B

ATOM 1113 CGl ILE B 27 0 .153 6 .492 28. .824 1. .00 21 .74

B

ATOM 1114 CDl ILE B 27 0 .943 5. .411 29. .516 1, , 00 23. .62

B

ATOM 1115 C ILE B 27 0 .227 9. .258 28. ,318 1. ,00 23. ,11

B

ATOM 1116 O ILE B 27 1 .338 9. .255 28. 847 1. 00 23. 60

B

ATOM 1117 N THR B 28 0 .768 10. 033 28. 727 1. 00 22. 41

B

ATOM 1118 CA THR B 28 0 .589 10. 940 29. 849 1. 00 22. 08

B

ATOM 1119 CB THR B 28 0 .001 12. 291 29. 384 1. 00 21. 57

B

ATOM 1120 OGl THR B 28 0 .406 13. 045 30. 530 1. 00 21. 86

B

ATOM 1121 CG2 THR B 28 1 .027 13. 091 28. 595 1. 00 20. 15

B

ATOM 1122 C THR B 28 1 .914 11. 164 30. 579 1. 00 22. 09 ri ATOM 1123 O THR B 28 2 .925 10. 546 30. 244 1. 00 22. 87

B

ATOM 1124 N THR B 29 1 .905 12. 050 31. 568 1. 00 22. 71

B

ATOM 1125 CA THR B 29 3 .093 12. 340 32. 367 1. 00 22. 64

B

ATOM 1126 CB THR B 29 2 .681 12. 785 33. 772 1. 00 22. 93

B

ATOM 1127 OGl THR B 29 1 .893 13. 978 33. 678 1. 00 24. 67

B 156

ATOM 1128 CG2 THR B 29 -1 .857 11 .690 34 .449 1. .00 20 .30

B ATOM 1129 C THR B 29 -4 .035 13 .387 31 .766 1 , .00 22 .01 a ATOM 1130 O THR B 29 -3 .611 14 .267 31 .017 1. ,00 23 .50

ATOM 1131 N THR B 30 - 5 .315 13 .284 32 .118 1. 00 20 .95

B ATOM 1132 CA THR B 30 -6 .349 14 .185 31 .617 1. 00 20 .05

ATOM 1133 CB THR B 30 .149 13 .540 30 .455 1. 00 19 .66

ATOM 1134 OGl THR B 30 -6 .262 13 .140 29 .406 1. 00 19 .77

J-J

ATOM 1135 CG2 THR B 30 -8 .189 14 .522 29 .910 1. 00 19 .46

" DD

ATOM 1136 C THR B 30 -7 .384 14 .506 32 .686 1. 00 19 .43 a ATOM 1137 O THR B 30 -7 .746 13 .641 33 .480 1. 00 19 .57

B ATOM 1138 N CYS B 31 -7 .865 15 .744 32 .708 1. 00 18 .07

ATOM 1139 CA CYS B 31 -8 .924 16 .099 33 .639 1. 00 18 .96

ATOM 1140 C CYS B 31 -9 .967 16 .909 32 .882 1. 00 17 .62 B ATOM 1141 O CYS B 31 -9 .651 17. .558 31 .880 1. 00 15 , .16

ATOM 1142 CB CYS B 31 -8 .406 16. , 888 34 .860 1. 00 21. ,42

ATOM 1143 SG CYS B 31 -7 .728 18. ,557 34 .583 1. 00 26. ,72

ATOM 1144 N TRP B 32 -11 .211 16. 832 33 .348 1. 00 16. 38 a ATOM 1145 CA TRP B 32 -12 .323 17. 565 32 .752 1. 00 16. 03

JrS

ATOM 1146 CB TRP B 32 -13 .428 16. 612 32 .287 1. 00 15. 98

ATOM 1147 CG TRP B 32 -13 .245 16. 058 30 .896 1. 00 17. 05 B ATOM 1148 CD2 TRP B 32 -13 .645 16. 700 29 .670 1. 00 17. 60

ATOM 1149 CE2 TRP B 32 -13 .305 15. 837 28 .619 1. 00 18. 14

ATOM 1150 CE3 TRP B 32 -14 .264 17. 920 29 .372 1. 00 17. 95 B ATOM 1151 CDl TRP B 32 -12 .687 14. 872 30 .544 1. 00 16. 44

ATOM 1152 NEl TRP B 32 -12 .719 14. 735 29 .177 1. 00 18. 02 ϋ

ATOM 1153 CZ2 TRP B 32 -13 .555 16. 137 27 .285 1. 00 17. 56

ATOM 1154 CZ3 TRP B 32 -14 .517 18. 234 28 .046 1. 00 17. 28

ATOM 1155 CH2 TRP B 32 -14 .162 17. 332 27 .008 1. 00 17. 84 B 157

ATOM 1156 C TRP B 32 -12 .902 18 .494 33 .802 1 , .00 15 .47

ATOM 1157 O TRP B 32 -12 .927 18 .167 34 .984 1. .00 15 .93 ATOM 1158 N GLY B 33 -13 .372 19 .657 33 .385 1, .00 15 .58

B ATOM 1159 CA GLY B 33 -13 .939 20 .571 34 .357 1. .00 15 .75

ATOM 1160 C GLY B 33 -14 .911 21 .579 33 .777 1. ,00 15 .72

ATOM 1161 O GLY B 33 -14 .866 21 .866 32 .583 1. 00 14 .68

B

ATOM 1162 N ARG B 34 -15 .794 22 .104 34 .625 1. 00 15 .29 B ATOM 1163 CA ARG B 34 -16 .762 23 .116 34 .224 1. 00 16 .86 π

ATOM 1164 CB ARG B 34 -17 .972 23 .088 35 .152 1. 00 18 .89 r> ATOM 1165 CG ARG B 34 -18 .944 21 .963 34 .903 1. 00 18 .05

D

ATOM 1166 CD ARG B 34 -20 .247 22 .532 34 .381 1. 00 18 .62

B

ATOM 1167 NE ARG B 34 -21 .391 21 .805 34 .913 1. 00 18 .14

B

ATOM 1168 CZ ARG B 34 -22 .661 22 .137 34 .705 1. 00 16 .98

B ATOM 1169 NHl ARG B 34 -22 .967 23 .200 33 .968 1. 00 15 .27 a ATOM 1170 NH2 ARG B 34 -23 .624 21, .397 35 .239 1. 00 15 , .65 a ATOM 1171 C ARG B 34 -16 .100 24. ,491 34 .310 1. 00 17 , , 62

B ATOM 1172 O - ARG B 34 -15 .278 24. ,736 35 .190 1. 00 16. .93

B

ATOM 1173 N GLY B 35 -16 .484 25. .391 33 .409 1. 00 19. 17 a

ATOM 1174 CA GLY B 35 -15 .898 26. 719 33 .387 1. 00 19. 51 B ATOM 1175 C GLY B 35 -14 .707 26. 685 32 .453 1. 00 21. 30

B

ATOM 1176 O GLY B 35 -14 .208 25. 604 32 .127 1. 00 20. 77

IπD

ATOM 1177 N GLN B 36 -14 .243 27. 848 32 .015 1. 00 23. 01 Ώ B

ATOM 1178 CA GLN B 36 -13 .108 27. 882 31 .106 1. 00 25. 34

B ATOM 1179 CB GLN B 36 -12 .935 29. 293 30 .516 1. 00 27. 28

B

ATOM 1180 CG GLN B 36 -11 .708 30. 062 30 .960 1. 00 32. 80

ATOM 1181 CD GLN B 36 -11 .384 31. 222 30 .021 1. 00 36. 63 π

ATOM 1182 OEl GLN B 36 -11 .081 31. 018 28 .838 1. 00 38. 64 a ATOM 1183 NE2 GLN B 36 -11 .446 32. 446 30 .544 1. 00 38. 87 158

ATOM 1184 C GLN B 36 11 .851 27 .415 31 .831 1 .00 24 .93

B

ATOM 1185 O GLN B 36 11 .735 27 .579 33 .040 1 .00 23 .11 πri ATOM 1186 N CYS B 37 10 .924 26 .815 31 .088 1 .00 27 .02

B

ATOM 1187 CA CYS B 37 -9 .682 26 .302 31 .667 1 .00 27 .91

B

ATOM 1188 C CYS B 37 -8 .913 27 .363 32 .450 1 .00 27 .88

B

ATOM 1189 O CYS B 37 -8 .748 28 .492 31 .985 1 .00 28 .04 i≤

ATOM 1190 CB CYS B 37 — QO .753 25 .759 30 .578 1 .00 27 .70

B

ATOM 1191 SG CYS B 37 -9 .327 24 .348 29 .571 1 .00 29 .48

B

ATOM 1192 N PRO B 38 .444 27 .013 33 .659 1 .00 27 .69

B

ATOM 1193 CD PRO B 38 -8 .935 25 .875 34 .453 1 .00 27 .47

B

ATOM 1194 CA PRO B 38 -7 .680 27 .936 34 .510 1 .00 27 .01

B

ATOM 1195 CB PRO B 38 -7 .816 27 .321 35 .908 1. .00 25 .71

B

ATOM 1196 CG PRO B 38 -9 .056 26 .493 35 .818 1, .00 26 .93

B

ATOM 1197 C PRO B 38 -6 .212 27 .984 34 .060 1 , , 00 27 .10

B

ATOM 1198 O PRO B 38 -5. .904 27. .849 32 .872 1. , 00 26 .85

B

ATOM 1199 N SER B 39 -5. .309 28. ,182 35 .014 1. 00 27 .58

B

ATOM 1200 CA SER B 39 -3. ,886 28. 213 34. .699 1. 00 28 .53

ΓJ ATOM 1201 CB SER B 39 -3. 168 29. 280 35. ,529 1. 00 28. .42

B

ATOM 1202 OG SER B 39 -3. 277 29. 008 36. ,910 1. 00 29, , 06

B

ATOM 1203 C SER B 39 -3. 323 26. 839 35. 024 1. 00 27. 59

B

ATOM 1204 O SER B 39 -2. 502 26. 299 34. 282 1. 00 29. 16

B

ATOM 1205 N SER B 40 -3. 790 26. 276 36. 134 1. 00 27. 01

B

ATOM 1206 CA SER B 40 -3. 357 24. 963 36. 580 1. 00 27. 02

B

ATOM 1207 CB SER B 40 -2. 592 25. 084 37. 900 1. 00 27. 82

B

ATOM 1208 OG SER B 40 -2. 081 23. 826 38. 313 1. 00 31. 04 π

ATOM 1209 C SER B 40 -4. 560 24. 044 36. 765 1. 00 26. 53

B

ATOM 1210 O SER B 40 -5. 592 24. 453 37. 303 1. 00 26. 06

B

ATOM 1211 N ALA B 41 -4. 418 22. 806 36. 299 1. 00 26. 25

B 159

ATOM 1212 CA ALA B 41 -5 .463 21 .792 36 .406 1 .00 26 .54

B

ATOM 1213 CB ALA B 41 -5 .553 21 .306 37 .842 1 .00 25 .38

B

ATOM 1214 C ALA B 41 -6 .852 22 .211 35 .915 1 .00 27 .08

B

ATOM 1215 O ALA B 41 -7 .006 23 .140 35 .119 1 .00 27 .99 π ATOM 1216 N CYS B 42 -7 .861 21 .504 36 .413 1 .00 28 .00

B

ATOM 1217 CA CYS B 42 -9 .251 21 .745 36 .051 1 .00 28 .63 rs ATOM 1218 C CYS B 42 ^•10 .047 22 .404 37 .174 1 .00 29 .35

B

ATOM 1219 O CYS B 42 -9 .894 22 .068 38 .346 1 .00 30 .47

B

ATOM 1220 CB CYS B 42 -9 .925 20 .421 35 .669 1 .00 27 .36

B

ATOM 1221 SG CYS B 42 -9 .342 19 .707 34 .099 1 .00 28 .68

B

ATOM 1222 N GLN B 43 10 .898 23 .346 36 .791 1 .00 29 .37

B

ATOM 1223 CA GLN B 43 11 .763 24 .063 37 .716 1 .00 28 .88

B

ATOM 1224 CB GLN B 43 12 .029 25 .459 37 .136 1. .00 31 .48

B

ATOM 1225 CG GLN B 43 13 .021 26 .329 37. .866 1. .00 35 .37

B

ATOM 1226 CD GLN B 43 13 .066 27. .735 37 , , 286 1. , 00 38. .76

B

ATOM 1227 OEl GLN B 43 13 .267 27 , , 921 36. , 085 1. 00 41. .55

B

ATOM 1228 NE2 GLN B 43 12. .873 28. .732 38. 140 1. 00 40. , 90

B

ATOM 1229 C GLN B 43 13. .043 23. 222 37. 782 1. 00 26. 70

ATOM 1230 O GLN B 43 13. 487 22. 710 36. 757 1. 00 26. 68

B

ATOM 1231 N ASN B 44 13. 619 23. 055 38. 970 00 25. 64

B

ATOM 1232 CA ASN B 44 14. 842 22. 255 39. 122 1. 00 25. 28

B

ATOM 1233 CB ASN B 44 16. 037 22. 975 38. 488 1. 00 28. 41

B

ATOM 1234 CG ASN B 44 16. 827 23. 801 39. 489 1. 00 32. 86

B

ATOM 1235 ODl ASN B 44 17. 900 24. 313 39. 170 1. 00 36. 62

B

ATOM 1236 ND2 ASN B 44 16. 303 23. 935 40. 704 1. 00 34. 58 ATOM 1237 C ASN B 44 14. 728 20. 862 38. 496 1. 00 23. 04

B

ATOM 1238 O ASN B 44 15. 638 20. 414 37. 798 1. 00 22. 98

B

ATOM 1239 N THR B 45 13. 623 20. 178 38. 764 1. 00 20. 32

B 160

ATOM 1240 CA THR B 45 ^■13 .358 18 .853 38 .201 1 .00 18 .04

B

ATOM 1241 CB THR B 45 •12 .222 18, .163 38 .969 1 .00 17 .82

B

ATOM 1242 OGl THR B 45 ^■11 .080 19, , 024 38 .986 1 .00 20 .47

B

ATOM 1243 CG2 THR B 45 •11 .843 16. .856 38 .305 1 .00 15 .98

B

ATOM 1244 C THR B 45 ^•14 .516 17. ,861 38 .091 1 .00 14 .98

B

ATOM 1245 O THR B 45 15 .282 17. 661 39 .031 1 .00 13 .12

B

ATOM 1246 N LEU B 46 14 .619 17. 237 36 .921 1 .00 13 .46 rS

ATOM 1247 CA LEU B 46 15 .647 16. 235 36 .660 1 .00 13 .15

. ΏD

ATOM 1248 CB LEU B 46 16 .436 16. 570 35 .391 1 .00 12 .66

B

ATOM 1249 CG LEU B 46 16 .940 17. 992 35 .177 1 .00 10 .71

B

ATOM 1250 CDl LEU B 46 17 .779 18. 031 33 .913 .00 9 .99

B

ATOM 1251 CD2 LEU B 46 17 .748 18. 438 36 .377 1 .00 9 .44

B

ATOM 1252 C LEU B 46 14 .972 14. 879 36 .452 1 .00 12 .39

B

ATOM 1253 O LEU B 46 15 .496 13. 842 36 .863 1 .00 13 .82

B

ATOM 1254 N ILE B 47 13 .802 14. 902 35 .819 1 .00 10 .90

B

ATOM 1255 CA ILE B 47 13 .073 13. 681 35 .521 1 .00 9 .85

B

ATOM 1256 CB ILE B 47 13 .362 13. 228 34 .059 1 .00 10 .73

B

ATOM 1257 CG2 ILE B 47 12 .478 12. 037 33 .673 1 .00 9 .14

B

ATOM 1258 CGl ILE B 47 14 .841 12. 863 33 .905 1 .00 8 .23

B

ATOM 1259 CDl ILE B 47 15 .249 11. 642 34 .691 1 .00 6 .91

B

ATOM 1260 C ILE B 47 11 .565 13. 805 35 .676 1 .00 10 .30

ATOM 1261 O ILE B 47 10 .995 14. 887 35 .546 1 .00 10 .13

B

ATOM 1262 N TRP B 48 10 .935 12. 672 35 .972 1 .00 10 .65

B

ATOM 1263 CA TRP B 48 -9 .484 12. 556 36 .080 1 .00 11 .04

B

ATOM 1264 CB TRP B 48 -8 .991 12. 637 37 .531 1 .00 11 .27

B

ATOM 1265 CG TRP B 48 -8 .438 13. 987 37 .918 1 .00 9 .77

B

ATOM 1266 CD2 TRP B 48 -7 .252 14. 618 37 .402 1 .00 8 .89

ATOM 1267 CE2 TRP B 48 -7 .153 15. 885 38 .015 1 .00 7 .04

B 161

ATOM 1268 CE3 TRP B 48 -6 .267 14 .235 36 .484 1 .00 7 .57

B

ATOM 1269 CDl TRP B 48 -8 .988 14 .873 38 .795 1 .00 8 .36

B

ATOM 1270 NEl TRP B 48 -8 .226 16 .015 38 .858 1 .00 8 .70

ATOM 1271 CZ2 TRP B 48 -6 .108 16 .778 37 .737 1 .00 7 .14

B

ATOM 1272 CZ3 TRP B 48 -5 .222 15 .128 36 .205 1 .00 8 .18

B

ATOM 1273 CH2 TRP B 48 -5 .155 16 .383 36 .835 1 .00 6 .54

B

ATOM 1274 C TRP B 48 -9 .151 11 .177 35 .527 1 .00 12 .45

B

ATOM 1275 O TRP B 48 -9 .843 10 .190 35 .815 1 .00 11 .85

ATOM 1276 N THR B 49 -8 .114 11 .112 34 .705 1 .00 12 .35

B

ATOM 1277 CA THR B 49 „ π .694 9 .837 34 .154 1 .00 13 .70

B

ATOM 1278 CB THR B 49 -7 .760 9 .817 32 .626 1 .00 12 .80

B

ATOM 1279 OGl THR B 49 -6 .611 10 .481 32 .098 1 .00 15 .18

B

ATOM 1280 CG2 THR B 49 -9 . Oil 10 .526 32 .135 1 .00 12 .97

B

ATOM 1281 C THR B 49 -6. .245 9 .665 34 .567 1 .00 14 .76

B

ATOM 1282 O THR B 49 -5 .555 10 .646 34 .852 1 .00 14. .42

B

ATOM 1283 N ASN B 50 -5, .795 8 .419 34 .623 1 .00 15. ,55 ATOM 1284 CA ASN B 50 -4. .415 8 .127 34 .977 1 .00 17. .34

ATOM 1285 CB ASN B 50 -4. 353 6 .956 35 .952 1 .00 16. 78

B

ATOM 1286 CG ASN B 50 -4. 970 5 .693 35 .384 1 .00 17. 48

B

ATOM 1287 ODl ASN B 50 -4. 947 4 .647 36 .026 1 .00 17. 43

B

ATOM 1288 ND2 ASN B 50 -5. 529 5 .785 34 .176 1 .00 15. 31

B

ATOM 1289 C ASN B 50 -3. 683 7 .776 33 .684 1 .00 18. 42

B

ATOM 1290 O ASN B 50 -2. 555 7 .294 33 .699 1 .00 19. 70

B

ATOM 1291 N GLY B 51 -4. 347 8 .020 32 .563 1 .00 19. 01 ATOM 1292 CA GLY B 51 748 7 .732 31 .276 1 .00 21. 53

B

ATOM 1293 C GLY B 51 ^•4. 495 6 .658 30 .512 1 .00 23. 08

B

ATOM 1294 O GLY B 51 •4. 665 6 .762 29 .295 1 .00 24. 30

B

ATOM 1295 N HIS B 52 953 5 .632 31 .223 1 .00 23. 32

B 162

ATOM 1296 CA HIS B 52 - 5 .670 4 .533 30 .588 1 .00 24 .25

B

ATOM 1297 CB HIS B 52 -4 .830 3 .264 30 .680 1 .00 27 .68

B

ATOM 1298 CG HIS B 52 -4 .091 3 .129 31 .972 1 .00 31 .14 a ATOM 1299 CD2 HIS B 52 -2 .945 3 .707 32 .405 1 .00 32 .76

B

ATOM 1300 NDl HIS B 52 -4 .535 2 .333 33 .006 1 .00 32 .35

B

ATOM 1301 CEl HIS B 52 -3 .692 2 .425 34 .020 1 .00 33 .66

B

ATOM 1302 NE2 HIS B 52 _ o .719 3 .253 33 .681 1 .00 33 .05

B

ATOM 1303 C HIS B 52 -7 .077 4 .262 31 .111 1 .00 23 .21

B

ATOM 1304 O HIS B 52 - 1 .832 3 .517 30 .492 1 .00 23 .77

B

ATOM 1305 N ARG B 53 -1 .439 4 .857 32 .240 1 .00 22 .40

B

ATOM 1306 CA ARG B 53 -8 .773 4 .648 32 .780 1 .00 21 .23

B

ATOM 1307 CB ARG B 53 -8 .859 3 .306 33 .525 1. .00 23 .67

B

ATOM 1308 CG ARG B 53 -8. .299 3 .308 34 .941 1 .00 27 .86

B

ATOM 1309 CD ARG B 53 -8. .655 2 .007 35, .666 1, .00 31 .66

B

ATOM 1310 NE ARG B 53 -8. ,609 2. .143 37 , , 122 1, .00 34 .58

B

ATOM 1311 CZ ARG B 53 -7. 493 2 , , 240 37. ,842 1. , 00 36 .46

B

ATOM 1312 NHl ARG B 53 -6. 305 2. .209 37. 249 1. 00 36 .91

B

ATOM 1313 NH2 ARG B 53 -7. 568 2. 378 39. 159 1. 00 37 .39

B

ATOM 1314 C ARG B 53 -9. 165 5. 778 33. 711 1. 00 18 , .92

B

ATOM 1315 O ARG B 53 -8. 307 6. 478 34. 242 1. 00 18 , .79

R

ATOM 1316 N VAL B 54 10. 470 5. 947 33. 895 1. 00 16. 98

B

ATOM 1317 CA VAL B 54 11. 011 6. 984 34. 765 1. 00 15. 03

B

ATOM 1318 CB VAL B 54 12. 546 7. 105 34. 575 1. 00 13. 09

JD

ATOM 1319 CGl VAL B 54 13. 127 8. 122 35. 545 1. 00 10. 62

B

ATOM 1320 CG2 VAL B 54 12. 849 7. 509 33. 138 1. 00 12. 00

B

ATOM 1321 C VAL B 54 10. 691 6. 655 36. 224 1. 00 14. 63

B

ATOM 1322 O VAL B 54 10. 903 5. 531 36. 673 1. 00 13. 70

B

ATOM 1323 N THR B 55 10. 166 7. 637 36. 951 1. 00 15. 43

B 163

ATOM 1324 CA THR B 55 -9 .809 7 .454 38 .354 1. 00 16 .26

B

ATOM 1325 CB THR B 55 -8 .338 7 .817 38 .608 1. 00 17 .03

B

ATOM 1326 OGl THR B 55 -8 .085 9 .127 38 .086 1. 00 16 .50

B

ATOM 1327 CG2 THR B 55 -7 .404 6 .802 37 .946 1. 00 16 .79

B

ATOM 1328 C THR B 55 ^■10 .675 8 .326 39 .252 1. 00 16 .67

B

ATOM 1329 O THR B 55 10 .722 8 .129 40 .469 1. 00 16 .97

B

ATOM 1330 N TYR B 56 11 .342 9 .303 38 .646 1. 00 17 .73 π_> ATOM 1331 CA TYR B 56 12 .225 10 .206 39 .374 1. 00 17 .44 a ATOM 1332 CB TYR B 56 11 .507 11 .504 39 .776 1. 00 16 .61

B

ATOM 1333 CG TYR B 56 12 .438 12 .495 40 .448 1. 00 15 .19

B

ATOM 1334 CDl TYR B 56 12 .869 12 .297 41 .759 1. 00 15 .48

B

ATOM 1335 CEl TYR B 56 13 .811 13 .142 42 .349 1. 00 15 .74

B

ATOM 1336 CD2 TYR B 56 12 .962 13 .573 39 .743 1. 00 14 .16

JD ATOM 1337 CE2 TYR B 56 13 .903 14 .422 40 .316 1. 00 14 .16

B

ATOM 1338 CZ TYR B 56 14 .330 14 .197 41 .618 1. 00 16 .09

B

ATOM 1339 OH TYR B 56 15 .322 14 .983 42 .163 1. 00 15 .43

B

ATOM 1340 C TYR B 56 13 .418 10 .547 38 .498 1. 00 17 .72

B

ATOM 1341 O TYR B 56 13 .271 10 .918 37 .334 1. 00 18 .32

ATOM 1342 N GLN B 57 14 .603 10 .415 39 .077 1. 00 18 .67 ri ATOM 1343 CA GLN B 57 15 .852 10 .682 38 .386 1. 00 17 .73

B

ATOM 1344 CB GLN B 57 16 .477 9 .361 37 .947 1. 00 17 .28

B

ATOM 1345 CG GLN B 57 17 .868 9 .491 37 .396 1. 00 19 .88

B ATOM 1346 CD GLN B 57 18 .411 8 .174 36 .885 1. 00 21 .63

B

ATOM 1347 OEl GLN B 57 18 .345 7 .154 37 .573 1. 00 24 .41

B

ATOM 1348 NE2 GLN B 57 18 .966 8 .189 35 .676 1. 00 22 .10

B

ATOM 1349 C GLN B 57 16 .774 11 .418 39 .354 1. 00 18 .40

B

ATOM 1350 O GLN B 57 17 .314 10 .828 40 .291 1. 00 19 .03

B

ATOM 1351 N LYS B 58 16 .941 12 .714 39 .123 1. 00 17 .62

B 164

ATOM 1352 CA LYS B 58 -17 .773 13 .549 39 .973 1 .00 17 .25 B ATOM 1353 CB LYS B 58 -17 .723 14 .991 39 .469 1 .00 19 .20 B ATOM 1354 CG LYS B 58 -18 .758 15 .904 40 .083 1 .00 21 .54

ATOM 1355 CD LYS B 58 -18 .500 16 .177 41 .550 1 .00 23 .95

ATOM 1356 CE LYS B 58 -19 .655 16 .986 42 .141 1 .00 26 .24 B ATOM 1357 NZ LYS B 58 -19 .453 17 .303 43 .585 1 .00 28 .75

ATOM 1358 C LYS B 58 -19 .219 13 .072 40 .047 1 .00 16 .54 B ATOM 1359 O LYS B 58 -19 .874 13 .201 41 .078 1 .00 15 .29

"R

ATOM 1360 N SER B 59 -19 .713 12 .526 38 .946 1 .00 15 .12

"R

ATOM 1361 CA SER B 59 -21 .080 12 .029 38 .878 1 .00 14 .57

ATOM 1362 CB SER B 59 -22 .021 13 .155 38 .456 1 .00 14 .80 B ATOM 1363 OG SER B 59 -23 .330 12 .668 38 .214 1 .00 17 .81 a

ATOM 1364 C SER B 59 -21 .138 10 .892 37, , 859 1 .00 14 .62

ATOM 1365 O SER B 59 -20 .382 10 .890 36, .890 1 .00 15 .18 p

ATOM 1366 N SER B 60 -22 .027 9 .925 38, , 073 1 .00 15, .05 B ATOM 1367 CA SER B 60 -22 .149 8 , ,799 37. 147 1, .00 15. ,82

ATOM 1368 CB SER B 60 -23 , .126 7. ,751 37. 700 1 , ,00 15. 35 π 13

ATOM 1369 OG SER B 60 -24. ,450 8. 261 37. 776 1. ,00 16. 04

"R

ATOM 1370 C SER B 60 -22. 606 9. 237 35. 748 1. 00 16. 74

ATOM 1371 O SER B 60 -22. ,506 8. 461 34. 799 1. 00 15. 91 B ATOM 1372 N ARG B 61 -23. 102 10. 470 35. 624 1. 00 16. 26

ATOM 1373 CA ARG B 61 -23. 560 10. 975 34. 333 1. 00 16. 83

ATOM 1374 CB ARG B 61 -24. 411 12. 189 34. 505 1. 00 17. 05 B ATOM 1375 CG ARG B 61 -25. 840 11. 907 35. 112 1. 00 18. 03 B ATOM 1376 CD ARG B 61 -26. 809 13. 042 34. 772 1. 00 16. 91

ATOM 1377 NE ARG B 61 -26. 210 14. 347 35. 029 1. 00 16. 52 B ATOM 1378 CZ ARG B 61 -26. 216 15. 363 34. 169 1. 00 16. 70 B ATOM 1379 NHl ARG B 61 -26. 796 15. 240 32. 980 1. 00 15. 09 B 165

ATOM 1380 NH2 ARG B 61 -25 .627 16 .506 34 .495 1 .00 15 .39

ATOM 1381 C ARG B 61 -22 .398 11 .387 33 .434 1 .00 18 .09 B ATOM 1382 O ARG B 61 -22 .597 11 .716 32 .263 1 .00 17 .11

ATOM 1383 N TYR B 62 -21 .191 11 .391 33 .988 1 .00 18 .29 a ATOM 1384 CA TYR B 62 -20 .011 11 .777 33 .228 1 .00 19 .28 B ATOM 1385 CB TYR B 62 -19 .179 12 .784 34 .020 1 .00 19 .63 B ATOM 1386 CG TYR B 62 -19 .923 14 .049 34 .350 1 .00 21 .44 B ATOM 1387 CDl TYR B 62 -20 .275 14 .350 35 .662 1 .00 22 .04

ATOM 1388 CEl TYR B 62 -20 .955 15 .526 35 .973 1 .00 22 .91 B ATOM 1389 CD2 TYR B 62 -20 .272 14 .952 33 .347 1 .00 22 .62

"R

ATOM 1390 CE2 TYR B 62 -20 .954 16 .129 33 .643 1 .00 23 .68

ATOM 1391 CZ TYR B 62 -21 .291 16 .410 34 .959 1 .00 23 .29 B ATOM 1392 OH TYR B 62 -21 .955 17 .573 35 .255 1 .00 23 .06

ATOM 1393 C TYR B 62 -19 .161 10 .564 32 .909 1. .00 19 .75

ATOM 1394 O TYR B 62 -18 .673 9. .885 33 .816 1. .00 17. .68 B ATOM 1395 N ASN B 63 -18 .981 10 , .302 31 .619 1. .00 20. .23 B ATOM 1396 CA ASN B 63 -18 .188 9. .163 31. .182 1. 00 21. .05

ATOM 1397 CB ASN B 63 -19. .093 7. 977 30. .851 1. 00 22. 72

ATOM 1398 CG ASN B 63 -19. ,759 7. 390 32. 068 1. 00 25. 16

"R

ATOM 1399 ODl ASN B 63 -19. 092 6. 873 32. 962 1. 00 27. 98

ATOM 1400 ND2 ASN B 63 -21. 088 7. 457 32. 109 1. 00 25. 65

ATOM 1401 C ASN B 63 -17. 317 9. 422 29. 964 1. 00 19. 78 B ATOM 1402 O ASN B 63 -17. 627 10. 260 29. 124 1. 00 18. 18

R

ATOM 1403 N LEU B 64 -16. 217 8. 684 29. 892 1. 00 19. 92 B ATOM 1404 CA LEU B 64 -15. 309 8. 736 28. 759 1. 00 21. 08

ATOM 1405 CB LEU B 64 -13. 868 8. 950 29. 232 1. 00 19. 62

ATOM 1406 CG LEU B 64 -13. 422 10. 407 29. 448 1. 00 19. 40 B ATOM 1407 CDl LEU B 64 -14. 356 11. 133 30. 409 1. 00 16. 24 B 166

ATOM 1408 CD2 LEU B 64 -11 .999 10 .415 29 .974 1 .00 16 .61 rJ ATOM 1409 C LEU B 64 -15 .471 7 .359 28 .103 1 .00 22 .19 B ATOM 1410 O LEU B 64 -14 .864 6 .385 28 .537 1 .00 22 .02

ATOM 1411 N LYS B 65 -16 .311 7 .283 27 .072 1 .00 23 .63

D

ATOM 1412 CA LYS B 65 -16 .577 6 .024 26 .389 1 .00 25 .17

B

ATOM 1413 CB LYS B 65 -17 .986 6 .039 25 .795 1 .00 26 .47

ATOM 1414 CG LYS B 65 -19 .075 5 .762 26 .815 1 .00 28 .55

ATOM 1415 CD LYS B 65 -19 .732 7 .034 27 .283 1 .00 30 .75

" JDD

ATOM 1416 CE LYS B 65 -20 .754 7 .491 26 .266 1 .00 32 .52

ATOM 1417 NZ LYS B 65 -21 .836 6 .477 26 .116 1 .00 33 .45 B ATOM 1418 C LYS B 65 -15 .594 5 .588 25 .308 1 .00 26 .28

ATOM 1419 O LYS B 65 -15 .599 4 .422 24 .904 1 .00 26 .81 ATOM 1420 N GLY B 66 -14 .758 6 .505 24 .837 1 .00 26 .78 B ATOM 1421 CA GLY B 66 -13 .805 6 .146 23. .799 1 .00 26 .95 ATOM 1422 C GLY B 66 -12. .646 5 .298 24. .287 1. .00 27 .55 B ATOM 1423 O GLY B 66 -12. ,564 4 , .951 25. ,463 1. .00 26 , .78 B ATOM 1424 N HIS B 67 -11. .750 4. , 948 23. 370 1. 00 28. ,85

ATOM 1425 CA HIS B 67 -10. 574 4. 156 23. 719 1. 00 29. 08 B ATOM 1426 CB HIS B 67 -9. 935 3. 537 22. 470 1. 00 31. 99

ATOM 1427 CG HIS B 67 -10. 900 2. 811 21. 580 1. 00 37. 26

ATOM 1428 CD2 HIS B 67 -12. 255 2. 769 21. 574 1. 00 38. 90 a ATOM 1429 NDl HIS B 67 -10. 488 2. 041 20. 514 1. 00 39. 46

ATOM 1430 CEl HIS B 67 -11. 548 1. 559 19. 885 1. 00 39. 44 B ATOM 1431 NE2 HIS B 67 -12. 630 1. 985 20. 508 1. 00 38. 92

ATOM 1432 C HIS B 67 -9. 608 5. 151 24. 355 1. 00 27. 36 a

ATOM 1433 O HIS B 67 -8. 790 5. 773 23. 670 1. 00 26. 40

ATOM 1434 N ILE B 68 -9. 726 5. 304 25. 669 1. 00 25. 66

^"R

ATOM 1435 CA ILE B 68 -8. 905 6. 238 26. 430 1. 00 24. 43 167

ATOM 1436 CB ILE B 68 -9 .200 6 .100 27. , 930 1 , .00 23 .29

ATOM 1437 CG2 ILE B 68 -8 .322 7 .047 28. 723 1. .00 22 .93 rS ATOM 1438 CGl ILE B 68 -10 .684 6 .385 28. 181 1. .00 22 .62

R D

ATOM 1439 CDl ILE B 68 -11 .142 6 .101 29. 592 1. 00 21 .48

ATOM 1440 C ILE B 68 -7 .403 6 .116 26. 203 1. 00 24 .20

ATOM 1441 O ILE B 68 -6 .738 7 .103 25. 868 1. 00 22 .98

ATOM 1442 N SER B 69 -6 .867 4 .911 26. 378 1. 00 24 .77

ATOM 1443 CA SER B 69 -5 .432 4 .687 26. 200 1. 00 24 .73

ATOM 1444 CB SER B 69 -5 .070 3 .247 26. 603 1. 00 24 .26

R

ATOM 1445 OG SER B 69 -5 .651 2 .304 25. 723 1. 00 26 .45

ATOM 1446 C SER B 69 -4 .947 4 .983 24. 770 1. 00 24 .38

ATOM 1447 O SER B 69 -3 .746 5 .064 24. 517 1. 00 24 .02

"R

ATOM 1448 N GLU B 70 -5 .883 5 .143 23. 840 1. 00 25 .61

" 1D5

ATOM 1449 CA GLU B 70 -5 .541 5 .441 22. 451 1. 00 25 .79

ATOM 1450 CB GLU B 70 -6 .613 4 .897 21. 499 1. 00 28 .00

B

ATOM 1451 CG GLU B 70 -6 .698 3 .383 21. 431 1. 00 31 .23

ATOM 1452 CD GLU B 70 -5 .371 2 .743 21. 051 1. 00 33 .86

ATOM 1453 OEl GLU B 70 -4 .511 2 .562 21. 942 1. 00 33 .21

P

ATOM 1454 OE2 GLU B 70 - 5 .183 2 .432 19. 856 1. 00 34 .61

R

ATOM 1455 C GLU B 70 -5 .414 6 .947 22. 235 1. 00 24 .62

Rβ

ATOM 1456 O GLU B 70 -4 .784 7 .392 21. 273 1. 00 24 .90

ATOM 1457 N GLY B 71 -6 .028 7 .724 23. 125 1. 00 22 .39 π £5

ATOM 1458 CA GLY B 71 -5 .974 9 .167 23. 000 1. 00 19 .41

ATOM 1459 C GLY B 71 -7 .344 9 .812 22. 929 1. 00 17 .41 π B

ATOM 1460 O GLY B 71 — 1 .453 11 .035 22. 865 1. 00 17 .72

B

ATOM 1461 N ASP B 72 -8 .399 9 .005 22. 937 1. 00 16 .09

ATOM 1462 CA ASP B 72 -9 .750 9 .560 22. 887 1. 00 15 .42 p

ATOM 1463 CB ASP B 72 -10 .691 8 .646 22. 109 1. 00 16 .24 B 168

ATOM 1464 CG ASP B 72 -12 .040 9 .294 21 .845 1 .00 17 .05 π

ATOM 1465 ODl ASP B 72 -12 .321 10 .365 22 .423 1 .00 17 .69 ATOM 1466 OD2 ASP B 72 -12 .827 8 .732 21 .059 1 .00 19 .26 a

ATOM 1467 C ASP B 72 -10 .307 9 .749 24 .292 1 .00 14 .69

ATOM 1468 O ASP B 72 -10 .877 8 .815 24 .868 1 .00 14 .95

ATOM 1469 N VAL B 73 -10 .140 10 .949 24 .845 1 .00 13 .35

ATOM 1470 CA VAL B 73 -10 .641 11 .244 26 .184 1 .00 12 .49

ATOM 1471 CB VAL B 73 -9 .580 11 .956 27 .052 1 .00 10 .91

ATOM 1472 CGl VAL B 73 -8 .426 11 .013 27 .330 1 .00 11 .97

ATOM 1473 CG2 VAL B 73 -9 .088 13 .214 26 .353 1 .00 9 .13

ATOM 1474 C VAL B 73 -11 .874 12 .131 26 .107 1 .00 14 .05

ATOM 1475 O VAL B 73 -12 .007 13 .095 26 .872 1 .00 14 .09 a

ATOM 1476 N SER B 74 -12 .776 11 .802 25 .182 1 .00 13 .06

R

ATOM 1477 CA SER B 74 -13 .998 12. .574 25 .005 1, .00 11. .82

ATOM 1478 CB SER B 74 -14 .633 12. .237 23 .661 1 , .00 12 .22

15

ATOM 1479 OG SER B 74 -13. .762 12. ,593 22 .602 1 , , 00 10. , 28 ATOM 1480 C SER B 74 -15. , 005 12. 361 26 , .137 1. 00 11. .89

ATOM 1481 O SER B 74 -15. .268 11. 234 26. ,561 1. 00 11. 71

ATOM 1482 N LEU B 75 -15. ,562 13. 464 26. .625 1. 00 11. 23

ATOM 1483 CA LEU B 75 -16. 532 13. 430 27. 707 1. 00 9. 57

ATOM 1484 CB LEU B 75 -16. 447 14. 717 28. 525 1. 00 9. 62

ATOM 1485 CG LEU B 75 -17. 567 14. 954 29. 545 1. 00 9. 43

ATOM 1486 CDl LEU B 75 -17. 449 13. 947 30. 694 1. 00 10. 60

R

ATOM 1487 CD2 LEU B 75 -17. 481 16. 378 30. 062 1. 00 8. 10

" JDD

ATOM 1488 C LEU B 75 -17. 949 13. 280 27. 184 1. 00 11. 17

JπD

ATOM 1489 O LEU B 75 -18. 364 13. 993 26. 267 1. 00 9. 95

^"R

ATOM 1490 N THR B 76 -18. 696 12. 353 27. 769 1. 00 12. 94

R

ATOM 1491 CA THR B 76 -20. 080 12. 146 27. 369 1. 00 14. 82 B 169

ATOM 1492 CB THR B 76 -20 .312 10 .723 26 .842 1 .00 14 .02

ATOM 1493 OGl THR B 76 -19 .619 10 .560 25 .599 1 .00 11 .96

ATOM 1494 CG2 THR B 76 -21 .807 10 .467 26 .636 1 .00 14 .51

B ATOM 1495 C THR B 76 -20 .975 12 .376 28 .578 1 .00 16 .72

ATOM 1496 O THR B 76 -20 .768 11 .780 29 .632 1 .00 18 .49

ATOM 1497 N ILE B 77 -21 .956 13 .255 28 .428 1 .00 17 .58

.D

ATOM 1498 CA ILE B 77 -22 .874 13 .558 29 .514 1 .00 19 .06

ATOM 1499 CB ILE B 77 -23 .153 15 .081 29 .591 1 .00 18 .11

ATOM 1500 CG2 ILE B 77 -23 .895 15 .418 30 .855 1 .00 17 .41

" IRJ

ATOM 1501 CGl ILE B 77 -21 .836 15 .856 29 .587 1 .00 19 .00

ATOM 1502 CDl ILE B 77 -22 .011 17 .361 29 .592 1 .00 18 .32

B

ATOM 1503 C ILE B 77 -24 .167 12 .801 29 .227 1 .00 20 .87 B ATOM 1504 O ILE B 77 -24 .834 13 .066 28 .232 1 .00 20 .42

ATOM 1505 N GLU B 78 -24 .497 11. .839 30 , .085 1 .00 24 .07 a

ATOM 1506 CA GLU B 78 -25 .710 11. .033 29. , 926 1 .00 26. .20

¹R

ATOM 1507 CB GLU B 78 -25. .745 9. ,896 30. 957 1 .00 27. .15

ATOM 1508 CG GLU B 78 -24. .626 8. 879 30. 833 1, .00 31. 50 B ATOM 1509 CD GLU B 78 -24. .609 8. 189 29. 476 1. .00 33. 86 B ATOM 1510 OEl GLU B 78 -25. 676 7. 702 29. 040 1. 00 36. 37

ATOM 1511 OE2 GLU B 78 -23. 528 8. 128 28. 848 1. 00 34. 33

"R

ATOM 1512 C GLU B 78 -26. 955 11. 893 30. 111 1. 00 26. 82 B ATOM 1513 O GLU B 78 -26. 940 12. 858 30. 879 1. 00 26. 61

ATOM 1514 N ASN B 79 -28. 030 11. 527 29. 415 1. 00 27. 53 π

ATOM 1515 CA ASN B 79 -29. 295 12. 251 29. 499 1. 00 28. 11

ATOM 1516 CB ASN B 79 -30. 225 11. 583 30. 517 1. 00 30. 33

ATOM 1517 CG ASN B 79 -30. 626 10. 179 30. 106 1. 00 33. 27 B ATOM 1518 ODl ASN B 79 -29. 847 9. 233 30. 240 1. 00 35. 26 B ATOM 1519 ND2 ASN B 79 -31. 846 10. 038 29. 590 1. 00 34. 19 B 170

ATOM 1520 C ASN B 79 -29 .075 13 .705 29 .895 1 .00 27 .67 B ATOM 1521 O ASN B 79 -29 .268 14 .079 31 .056 1 .00 27 .83

ATOM 1522 N SER B 80 -28 .672 14 .515 28 .922 1 .00 25 .85

ATOM 1523 CA SER B 80 -28 .403 15 .925 29 .156 1 .00 23 .83 B ATOM 1524 CB SER B 80 -27 .731 16 .537 27 .933 1 .00 23 .97 π

ATOM 1525 OG SER B 80 -28 .607 16 .498 26 .825 1 .00 21 .30 B ATOM 1526 C SER B 80 -29 .659 16 .718 29 .460 1 .00 22 .58 B ATOM 1527 O SER B 80 -30 .770 16 .277 29 .175 1 .00 22 .90

ATOM 1528 N VAL B 81 -29 .463 17 .892 30 .048 1 .00 21 .46 ATOM 1529 CA VAL B 81 -30 .550 18 .801 30 .379 1 .00 20 .35 B ATOM 1530 CB VAL B 81 -31 .028 18 .645 31 .831 1 .00 19 .80 ATOM 1531 CGl VAL B 81 -31 .651 17 .284 32 .035 1 .00 20 .55 π IJ

ATOM 1532 CG2 VAL B 81 -29. ,868 18 .856 32 .782 1 .00 21, .93

ATOM 1533 C VAL B 81 -30, .031 20 .218 30 .208 1 .00 19 , .93

.D

ATOM 1534 O VAL B 81 -28. , 821 20 .446 30, .156 1 .00 21. , 09 B ATOM 1535 N GLU B 82 -30. ,952 21, .167 30. , 130 1, .00 19. 64

ATOM 1536 CA GLU B 82 -30. 606 22, ,570 29. 959 1. ,00 18. 34 B ATOM 1537 CB GLU B 82 -31. 853 23. 437 30. 134 1. 00 20. 00

ATOM 1538 CG GLU B 82 -32. 990 23. 042 29. 198 1. 00 22. 78

ATOM 1539 CD GLU B 82 -33. 866 21. 924 29. 758 1. 00 24. 97 B ATOM 1540 OEl GLU B 82 -33. 348 21. 007 30. 438 1. 00 22. 99 B ATOM 1541 OE2 GLU B 82 -35. 087 21. 963 29. 500 1. 00 27. 39

ATOM 1542 C GLU B 82 -29. 511 23. 040 30. 908 1. 00 17. 21

ATOM 1543 O GLU B 82 -28. 661 23. 840 30. 517 1. 00 17. 35 B ATOM 1544 N SER B 83 -29. 519 22. 536 32. 142 1. 00 16. 69 B ATOM 1545 CA SER B 83 -28. 515 22. 923 33. 143 1. 00 16. 56 B ATOM 1546 CB SER B 83 -28. 948 22. 468 34. 536 1. 00 17. 97 B ATOM 1547 OG SER B 83 -29. 996 23. 279 35. 027 1. 00 21. 12 B 171

ATOM 1548 C SER B 83 -27 .087 22 .429 32 .881 1. ,00 16 , ,19 ri

ATOM 1549 O SER B 83 -26 .177 22 .716 33 .656 1. 00 15. ,55

ATOM 1550 N ASP B 84 -26 .888 21 .681 31 .803 1. 00 14. 75

B ATOM 1551 CA ASP B 84 -25 .555 21 .206 31 .474 1. 00 13. 64

B ATOM 1552 CB ASP B 84 -25 .622 19 .853 30 .759 1. 00 14. 53

B ATOM 1553 CG ASP B 84 -26 .104 18 .738 31 .666 1. 00 13. 93

ATOM 1554 ODl ASP B 84 -25 .619 18 .668 32 .811 1. 00 15. 51

B ATOM 1555 OD2 ASP B 84 -26 .956 17 .929 31 .238 1. 00 14. 73

B

ATOM 1556 C ASP B 84 -24 .863 22 .231 30 .582 1. 00 13. 21

B ATOM 1557 O ASP B 84 -23 .656 22 .161 30 .359 1. 00 14. 10

B ATOM 1558 N SER B 85 -25 .634 23 .186 30 .071 1. 00 12. 94 a ATOM 1559 CA SER B 85 -25 .087 24 .227 29 .207 1. 00 11. 49

B ATOM 1560 CB SER B 85 -26 .192 25 .189 28 .758 1. 00 12. 00

B

ATOM 1561 OG SER B 85 -27 .201 24. .515 28 .017 1. 00 10. 90

Ji ATOM 1562 C SER B 85 -24 .033 24 , .990 29 .987 1. 00 11. 47 B ATOM 1563 O SER B 85 -24 .143 25, .130 31 .205 1. 00 10. 98

B ATOM 1564 N GLY B 86 -23 .012 25. ,471 29 .284 1. 00 11. 30

B ATOM 1565 CA GLY B 86 -21 .947 26. ,215 29 .929 1. 00 10. 94

ATOM 1566 C GLY B 86 -20 .602 25. 898 29 .303 1. 00 13. 74

B

ATOM 1567 O GLY B 86 -20 .536 25. 201 28 .285 1. 00 13. 63

B

ATOM 1568 N LEU B 87 -19 .526 26. 405 29 .902 1. 00 14. 67

B ATOM 1569 CA LEU B 87 -18 .185 26. 162 29 .381 1. 00 15. 45

ATOM 1570 CB LEU B 87 -17 .302 27. 392 29 .591 1. 00 15. 59

ATOM 1571 CG LEU B 87 -17 .705 28. 679 28 .864 1. 00 16. 24 a ATOM 1572 CDl LEU B 87 -16 .649 29. 753 29 .110 1. 00 16. 42

ATOM 1573 CD2 LEU B 87 -17 .846 28. 415 27 .372 1. 00 15. 25

"R

ATOM 1574 C LEU B 87 -17 .534 24. 960 30 .052 1. 00 16. 31 rs

ATOM 1575 O LEU B 87 -17 .704 24. 742 31 .250 1. 00 17. 90 172

ATOM 1576 N TYR B 88 -16 .797 24 .174 29 .273 1 .00 16 .93 π

ATOM 1577 CA TYR B 88 -16 .105 23 .000 29 .798 1 .00 15 .14 a ATOM 1578 CB TYR B 88 -16 .758 21 .709 29 .315 1 .00 12 .75

ATOM 1579 CG TYR B 88 -18 .114 21 .445 29 .916 1 .00 12 .75

B ATOM 1580 CDl TYR B 88 -19 .250 22 .096 29 .442 1 .00 11 .08

13

ATOM 1581 CEl TYR B 88 -20 .503 21 .838 29 .990 1 .00 12 .71

B

ATOM 1582 CD2 TYR B 88 -18 .263 20 .529 30 .960 1 .00 13 .63 B ATOM 1583 CE2 TYR B 88 -19 .506 20 .264 31 .517 1 .00 13 .44

*□

ATOM 1584 CZ TYR B 88 -20 .623 20 .919 31 .029 1 .00 13 .98

ATOM 1585 OH TYR B 88 -21 .853 20 .648 31 .583 1 .00 13 .86 πrS ATOM 1586 C TYR B 88 -14 .644 23 .002 29 .377 1 .00 15 .50 B ATOM 1587 O TYR B 88 -14 .289 23 .484 28 .299 1 .00 13 .81 π

ATOM 1588 N CYS B 89 -13 .801 22 .450 30 .239 1 .00 16 .09

R

ATOM 1589 CA CYS B 89 -12 .382 22 .394 29, .976 1 .00 16 .46 B ATOM 1590 C CYS B 89 -11 .871 20 .965 29 , .927 1, .00 16 , .84

ATOM 1591 O CYS B 89 -12 .184 20. ,152 30. ,799 1, , 00 17. .10 B ATOM 1592 CB CYS B 89 -11. .615 23. ,151 31. 062 1. 00 19. ,98 π JJ

ATOM 1593 SG CYS B 89 -9. .819 22. 917 30. 919 1. 00 24. 93 a ATOM 1594 N CYS B 90 -11. 096 20. 668 28. 890 1. 00 15. 50

"R

ATOM 1595 CA CYS B 90 -10. 473 19. 361 28. 735 1. 00 16. 69 B ATOM 1596 C CYS B 90 -8. 994 19. 701 28. 658 1. 00 15. 85 B ATOM 1597 O CYS B 90 -8. 548 20. 346 27. 708 1. 00 15. 74 π IJ

ATOM 1598 CB CYS B 90 -10. 934 18. 670 27. 446 1. 00 17. 20 π

ATOM 1599 SG CYS B 90 -10. 062 17. 109 27. 067 1. 00 19. 36 B ATOM 1600 N ARG B 91 -8. 243 19. 294 29. 674 1. 00 16. 10 B ATOM 1601 CA ARG B 91 -6. 814 19. 584 29. 731 1. 00 15. 36 B ATOM 1602 CB ARG B 91 -6. 489 20. 369 31. 008 1. 00 14. 84

ATOM 1603 CG ARG B 91 -5. 029 20. 747 31. 139 1. 00 16. 35 173

ATOM 1604 CD ARG B 91 -4 .693 21 .117 32 .557 1 .00 14 .98

B

ATOM 1605 NE ARG B 91 -5 .101 22 .472 32 .887 1 .00 15 .85

ATOM 1606 CZ ARG B 91 -4 .298 23 .529 32 .827 1 .00 13 .65

B

ATOM 1607 NHl ARG B 91 -3 .038 23 .388 32 .445 1 .00 10 .96

B

ATOM 1608 NH2 ARG B 91 -4 .752 24 .726 33 .179 1 .00 15 .51

B

ATOM 1609 C ARG B 91 -5 .993 18 .302 29 .697 1 .00 15 .37

B

ATOM 1610 O ARG B 91 -6 .246 17 .374 30 .475 1 .00 15 .61

ATOM 1611 N VAL B 92 -5 . Oil 18 .260 28 .796 1 .00 13 .83

B

ATOM 1612 CA VAL B 92 -4 .144 17 .095 28 .657 1 .00 15 .03

B

ATOM 1613 CB VAL B 92 - 4 .202 16 .530 27 .225 1 .00 13 .90

ATOM 1614 CGl VAL B 92 -3 .265 15 .338 27 .094 1 .00 12 .43 π £5

ATOM 1615 CG2 VAL B 92 -5 .625 16 .110 26 .902 1 .00 12 .44

B

ATOM 1616 C VAL B 92 -2 .690 17, .400 29 .023 1 .00 16 .58

B

ATOM 1617 O VAL B 92 -1. .973 18. , 092 28 .299 1 .00 17 .32

B

ATOM 1618 N GLU B 93 -2 , .260 16. ,859 30 .154 1 .00 17 .67

ATOM 1619 CA GLU B 93 -0. , 912 17. 078 30 .647 1 .00 17 .65

B

ATOM 1620 CB GLU B 93 -0. .834^' 16. 624 32 .107 1 .00 15, .29

B

ATOM 1621 CG GLU B 93 -1. 866 17. 313 32 .987 1 .00 13. .95 a

ATOM 1622 CD GLU B 93 602 17. 129 34 .469 1 .00 13. .35

B

ATOM 1623 OEl GLU B 93 -1. 908 16. 040 35 .014 1 .00 12. 60 π £5

ATOM 1624 OE2 GLU B 93 •1. 076 18. 081 35 .088 1 .00 11. 66

B

ATOM 1625 C GLU B 93 0. 157 16. 384 29 .812 1 .00 18. 80

B

ATOM 1626 O GLU B 93 0. 625 15. 304 30 .152 1 .00 18. 91

B

ATOM 1627 N ILE B 94 0. 550 17. 029 28 .722 1 .00 20. 72

Ϊ5

ATOM 1628 CA ILE B 94 1. 567 16. 496 27 .818 1 .00 20. 57

B

ATOM 1629 CB ILE B 94 1. 363 17. 037 26 .398 1 .00 20. 72

B

ATOM 1630 CG2 ILE B 94 0. 179 16. 343 25 .731 1 .00 19. 80

B

ATOM 1631 CGl ILE B 94 1. 165 18. 552 26 .468 1 .00 20. 18 174

ATOM 1632 CDl ILE B 94 0. .853 19 .190 25 .136 1, .00 24 .76

B

ATOM 1633 C ILE B 94 2. ,980 16 .877 28 .253 1. .00 22 .08

B

ATOM 1634 O ILE B 94 3. 164 17 .803 29 .050 1. 00 20 .58

B

ATOM 1635 N PRO B 95 4. 000 16 .157 27 .737 1. 00 23 .89

B

ATOM 1636 CD PRO B 95 3. 907 14 .968 26 .868 1. 00 23 .77

B

ATOM 1637 CA PRO B 95 5. 401 16 .437 28 .074 1. 00 24 .26

B

ATOM 1638 CB PRO B 95 6. 167 15 .622 27 .041 1. 00 22 .83

ATOM 1639 CG PRO B 95 5. 316 14 .412 26 .916 1. 00 23 .43

B

ATOM 1640 C PRO B 95 5. 682 17 .930 27 .959 1. 00 24 .40

B

ATOM 1641 O PRO B 95 5. 156 18 .604 27 .074 1. 00 24 .78

B

ATOM 1642 N GLY B 96 6. 507 18 .442 28 .858 1. 00 25 .95

B

ATOM 1643 CA GLY B 96 6. 817 19 .858 28 .836 1. 00 27 .46

ATOM 1644 C GLY B 96 6. 461 20 .495 30 .160 1. 00 29 .06

B

ATOM 1645 O GLY B 96 5. 547 20 .045 30 .861 1. 00 29 .32

B

ATOM 1646 N TRP B 97 7. 188 21 .544 30 .508 1. 00 30 .04

B

ATOM 1647 CA TRP B 97 6. 947 22 .239 31 .755 1. 00 31 .06

B

ATOM 1648 CB TRP B 97 8. 196 23 .028 32 .151 1. 00 32 .02

B

ATOM 1649 CG TRP B 97 8. 105 23 .657 33 .498 1. 00 32 .41

B

ATOM 1650 CD2 TRP B 97 8. 156 22 .960 34 .757 1. 00 33 .19

B

ATOM 1651 CE2 TRP B 97 7. 983 23 .913 35 .770 1. 00 34 .27

B

ATOM 1652 CE3 TRP B 97 8. 345 21 .617 35 .117 1. 00 33 .62

B

ATOM 1653 CDl TRP B 97 7. 895 24 .963 33 .786 1. 00 32 .66

B

ATOM 1654 NEl TRP B 97 7. 809 25 .123 35 .153 1. 00 33 .59 hi ATOM 1655 CZ2 TRP B 97 7. 981 23 .588 37 .120 1. 00 33 .26

B

ATOM 1656 CZ3 TRP B 97 8. 341 21 .275 36 .463 1. 00 34 .33

B

ATOM 1657 CH2 TRP B 97 8. 170 22 .274 37 .460 1. 00 34 .35

B

ATOM 1658 C TRP B 97 5. 761 23 .176 31 .609 1. 00 31 .16

B

ATOM 1659 O TRP B 97 5. 805 24 .123 30 .819 1. 00 31 .42

B 175

ATOM 1660 N PHE B 98 4 .696 22 .897 32 .357 1 .00 31 .16

B

ATOM 1661 CA PHE B 98 3 .495 23 .729 32 .309 1 .00 30 .53

B

ATOM 1662 CB PHE B 98 3 .769 25 .022 33 .073 1 .00 31 .20

B

ATOM 1663 CG PHE B 98 2 .538 25 .739 33 .503 1 .00 33 .69

B

ATOM 1664 CDl PHE B 98 1 .529 25 .061 34 .181 1 .00 34 .15

B

ATOM 1665 CD2 PHE B 98 2 .393 27 .103 33 .260 1 .00 33 .91

B

ATOM 1666 CEl PHE B 98 0 .385 25 .727 34 .604 1 .00 34 .67

B

ATOM 1667 CE2 PHE B 98 1 .253 27 .781 33 .680 1 .00 34 .60 a ATOM 1668 CZ PHE B 98 0 .247 27 .093 34 .358 1 .00 35 .03

B

ATOM 1669 C PHE B 98 3 .199 24 .017 30 .834 1 .00 29 .21

B

ATOM 1670 O PHE B 98 3 .123 25 .172 30 .411 1 .00 28 .53

B

ATOM 1671 N ASN B 99 3 .029 22 .938 30 .071 1 .00 27 .42

B

ATOM 1672 CA ASN B 99 2 .807 22 .989 28 .623 1 .00 23 .85

B

ATOM 1673 CB ASN B 99 4 .065 22 .410 27 .961 .1 .00 23 .22

B

ATOM 1674 CG ASN B 99 4 .031 22 .475 26 .463 1 .00 24 .07

B

ATOM 1675 ODl ASN B 99 3 .700 23 .506 25 .883 1 .00 26 .49

B

ATOM 1676 ND2 ASN B 99 4 .400 21 .374 25 .818 1 .00 23 .53

B

ATOM 1677 C ASN B 99 1 .552 22 .202 28 .204 1 .00 21 .27

B

ATOM 1678 O ASN B 99 1 .516 21 .586 27 .138 1 .00 19 .25

B

ATOM 1679 N ASP B 100 0 .526 22 .248 29 .048 1 .00 18 .80

B

ATOM 1680 CA ASP B 100 0 .722 21 .517 28 .821 1 .00 18 .05

B

ATOM 1681 CB ASP B 100 1 .609 21 .624 30 .064 1 .00 18 .65

B

ATOM 1682 CG ASP B 100 1 .086 20 .800 31 .224 1 .00 20 .41

B

ATOM 1683 ODl ASP B 100 0 .135 20 .552 31 .268 1 .00 25 .88

B

ATOM 1684 OD2 ASP B 100 1 .887 20 .410 32 .099 1 .00 20 .07

B

ATOM 1685 C ASP B 100 1 .575 21 .844 27 .597 1 .00 16 .66 hi ATOM 1686 O ASP B 100 1 .736 23 .009 27 .215 1 .00 13 .76

B

ATOM 1687 N GLN B 101 2. .122 20 .786 26 .992 1 .00 15 .15

B 176

ATOM 1688 CA GLN B 101 -3.006 20.918 25.841 1.00 15.69

B

ATOM 1689 CB GLN B 101 -3.039 19.639 25.005 1.00 16.21

B

ATOM 1690 CG GLN B 101 -4.194 19.626 24.007 1.00 17.44

B

ATOM 1691 CD GLN B 101 -4.312 18.325 23.240 1.00 19.45 ri

ATOM 1692 OEl GLN B 101 -3.518 18.047 22.336 1.00 19.53

B

ATOM 1693 NE2 GLN B 101 -5.309 17.513 23.597 1.00 18.00

B

ATOM 1694 C GLN B 101 -4.388 21.165 26.423 1.00 15.63

B

ATOM 1695 O GLN B 101 -5.000 20.259 26.989 1.00 14.84

B

ATOM 1696 N LYS B 102 -4.870 22.395 26.282 1.00 17.05

B

ATOM 1697 CA LYS B 102 -6.164 22.779 26.820 1.00 18.40

B

ATOM 1698 CB LYS B 102 -5.999 24.021 27.698 1.00 18.55

ATOM 1699 CG LYS B 102 -4.829 23.908 28.647 1.00 20.70

B

ATOM 1700 CD LYS B 102 -4.819 25.011 29.677 1.00 21.78

B

ATOM 1701 CE LYS B 102 -4.643 26.375 29.055 1.00 22.37

B

ATOM 1702 NZ LYS B 102 -4.665 27.421 30.127 1.00 23.14

B

ATOM 1703 C LYS B 102 -7.192 23.052 25.732 1.00 19.47

B

ATOM 1704 O LYS B 102 -6.873 23.580 24.661 1.00 20.22

B

ATOM 1705 N VAL B 103 -8.433 22.688 26.018 1.00 19.51 ri ATOM 1706 CA VAL B 103 -9.519 22.900 25.075 1.00 18.40

B

ATOM 1707 CB VAL B 103 -9.817 21.614 24.272 1.00 17.78

B

ATOM 1708 CGl VAL B 103 -10.920 21.870 23.270 1.00 17.82

B

ATOM 1709 CG2 VAL B 103 -8.556 21.143 23.561 1.00 17.64

B

ATOM 1710 C VAL B 103 - 10.748 23.307 25.875 1.00 18.12

B

ATOM 1711 O VAL B 103 -11.215 22.554 26.733 1.00 19.96

B

ATOM 1712 N THR B 104 -11.248 24.508 25.609 1.00 16.18

B

ATOM 1713 CA THR B 104 -12.417 25.024 26.304 1.00 14.50

B

ATOM 1714 CB THR B 104 -12.256 26.526 26.640 1.00 15.13

B

ATOM 1715 OGl THR B 104 -11.153 26.711 27.539 1.00 16.20

B 177

ATOM 1716 CG2 THR B 104 -13 .526 27. 066 27 .275 1 .00 12 .43

B

ATOM 1717 C THR B 104 -13 .622 24. 867 25 .393 1 .00 13 .81

B

ATOM 1718 O THR B 104 -13 .569 25. 234 24 .221 1 .00 13 .58

B

ATOM 1719 N PHE B 105 -14 .708 24. 323 25 .930 1 .00 12 .56

B

ATOM 1720 CA PHE B 105 -15 .918 24. 130 25 .142 1 .00 11 .91

B

ATOM 1721 CB PHE B 105 -16 .431 22. 678 25 .213 1 .00 11 .83

B

ATOM 1722 CG PHE B 105 -15 .431 21. 637 24 .797 1 .00 10 .05

B

ATOM 1723 CDl PHE B 105 -14 .366 21. 300 25 .626 1 .00 11 .55

B

ATOM 1724 CD2 PHE B 105 -15 .581 20. 962 23 .593 1 .00 11 .49

B

ATOM 1725 CEl PHE B 105 -13 .461 20. 301 25 .258 1 .00 13 .25

B

ATOM 1726 CE2 PHE B 105 -14 .685 19. 959 23 .211 1 .00 11 .76

B

ATOM 1727 CZ PHE B 105 -13 .624 19. 625 24 .046 1 .00 13 .06

B

ATOM 1728 C PHE B 105 -17 .043 25. 032 25 .635 1 .00 12 .53

B

ATOM 1729 O PHE B 105 -17 .059 25. 482 26 .785 1 .00 11 .60

B

ATOM 1730 N SER B 106 -17 .992 25. 264 24 .737 1 .00 13 .06

B

ATOM 1731 CA SER B 106 -19 .174 26. 062 25 .002 1 .00 13 .73

B

ATOM 1732 CB SER B 106 -19 .183 27. 320 24 .133 1 .00 13 .49

B

ATOM 1733 OG SER B 106 -20 .314 28. 112 24 .446 1 .00 17 .57

B

ATOM 1734 C SER B 106 -20 .326 25. 152 24 .607 1 .00 12 .36

B

ATOM 1735 O SER B 106 -20 .713 25. 094 23 .441 1 .00 12 .54

B

ATOM 1736 N LEU B 107 -20 .848 24. 419 25 .581 1 .00 13 .45

B

ATOM 1737 CA LEU B 107 •21 .942 23. 489 25 .343 1 .00 12 .99

B

ATOM 1738 CB LEU B 107 ^■21 .804 22. 257 26 .237 1 .00 11 .32

B

ATOM 1739 CG LEU B 107 ^■23 .056 21. 380 26 .302 1 .00 10 .77

B

ATOM 1740 CDl LEU B 107 ^■23 .265 20. 700 24 .962 1 .00 11 .66

B

ATOM 1741 CD2 LEU B 107 22 .910 20. 353 27 .409 1 .00 12 .14

B

ATOM 1742 C LEU B 107 23 .271 24. 153 25 .610 1 .00 14 .08

B

ATOM 1743 O LEU B 107 23 .462 24. 815 26 .628 1 .00 14 .56

B 178

ATOM 1744 N GLN B 108 -24 .197 23 .952 24 .689 1, .00 15 .91 B ATOM 1745 CA GLN B 108 -25 .521 24 .533 24 .786 1, .00 18 , .80 πrS ATOM 1746 CB GLN B 108 -25 .658 25 .605 23 .716 1. ,00 21. .74 π B

ATOM 1747 CG GLN B 108 -27 .067 26 .090 23 .461 1. ,00 30. ,59 B ATOM 1748 CD GLN B 108 -27 .073 27 .222 22 .451 1. 00 35. ,77

ATOM 1749 OEl GLN B 108 -26 .180 28 .080 22 .471 1. 00 36. 57

"D

ATOM 1750 NE2 GLN B 108 -28 .080 27 .242 21 .567 1. 00 37. 81

R

ATOM 1751 C GLN B 108 -26 .556 23 .440 24 .582 1. 00 18. 43

B ATOM 1752 O GLN B 108 -26 .642 22 .854 23 .505 1. 00 17. 76 a ATOM 1753 N VAL B 109 -27 .334 23 .160 25 .622 1. 00 17. 94

Ei

ATOM 1754 CA VAL B 109 -28 .354 22 .123 25 .548 1. 00 17. 19

B ATOM 1755 CB VAL B 109 -28 .232 21 .119 26 .714 1. 00 16. 55

ATOM 1756 CGl VAL B 109 -29 .208 19 .964 26 .510 1. 00 15. 35 π

ATOM 1757 CG2 VAL B 109 -26 .816 20 .605 26 .813 1. 00 16. 72 B ATOM 1758 C VAL B 109 -29 .747 22 .727 25 .603 1. 00 17. 61 πr>

ATOM 1759 O VAL B 109 -30. .117 23 .368 26 .589 1. 00 17. 24

ATOM 1760 N LYS B 110 -30. ,517 22 .504 24 .543 1. 00 18. 47

ATOM 1761 CA LYS B 110 -31. .873 23 .019 24 .461 1. 00 19. 56 ATOM 1762 CB LYS B 110 -31. 972 24 .064 23 .351 1. 00 20. 45

"D

ATOM 1763 CG LYS B 110 -31. 173 25 .335 23 .620 1. 00 22. 18

ATOM 1764 CD LYS B 110 -31. 371 26 .340 22 .501 1. 00 23. 99 B ATOM 1765 CE LYS B 110 -30. 767 27 .686 22 .854 1. 00 28. 20

ATOM 1766 NZ LYS B 110 -31. 176 28 .727 21 .867 1. 00 29. 53 π D

ATOM 1767 C LYS B 110 -32. 886 21 .909 24 .207 1. 00 20. 14 B ATOM 1768 O LYS B 110 -32. 534 20 .817 23 .770 1. 00 20. 10

ATOM 1769 N PRO B 111 -34. 163 22 .174 24 .506 1. 00 20. 59 B ATOM 1770 CD PRO B 111 -34. 691 23 .335 25 .245 1. 00 20. 99

ATOM 1771 CA PRO B 111 -35. 211 21, .175 24 .292 1. 00 20. 15 B 179

ATOM 1772 CB PRO B 111 -36. 466 21 .887 24 .786 1. 00 21 .78 a ATOM 1773 CG PRO B 111 -35. 937 22 .763 25 .887 1. 00 21 .64

D

ATOM 1774 C PRO B 111 -35. 306 20 .789 22 .815 1. 00 19 .44

B ATOM 1775 O PRO B 111 -35. 049 21 .599 21 .927 1. 00 17 .70 ri

ATOM 1776 N GLU B 112 -35. 670 19 .543 22 .563 1. 00 18 .81 n ATOM 1777 CA GLU B 112 -35. 803 19 .041 21 .207 1. 00 19 .43

ATOM 1778 CB GLU B 112 -35. 794 17 .519 21 .251 1. 00 18 .89

JJ ATOM 1779 CG GLU B 112 -36. 008 16 .805 19 .943 1. 00 19 .01 B ATOM 1780 CD GLU B 112 -35. 770 15 .309 20 .097 1. 00 19 .37

"R

ATOM 1781 OEl GLU B 112 -36. 301 14 .722 21 .062 1. 00 20 .75

ATOM 1782 OE2 GLU B 112 -35. 051 14 .718 19 .264 1. 00 19 .82

B ATOM 1783 C GLU B 112 -37. 100 19 .539 20 .581 1. 00 20 .53

ATOM 1784 O GLU B 112 -37. 204 19 .689 19 .365 1. 00 19 .16 π

ATOM 1785 N LEU B 113 -38. 083 19 .810 21 .429 1. 00 21 .94 B ATOM 1786 CA LEU B 113 -39. 388 20 .256 20 .976 1. 00 22 .43 B ATOM 1787 CB LEU B 113 -40. 291 19 .021 20 .838 1. 00 23 .03 π

ATOM 1788 CG LEU B 113 -41. 822 19 .062 20 .742 1. 00 24 .97

ATOM 1789 CDl LEU B 113 -42. 429 18 .923 22 .137 1. 00 24 .97

ATOM 1790 CD2 LEU B 113 -42. 274 20 .337 20 .038 1. 00 22 .84 π £5

ATOM 1791 C LEU B 113 -39. 992 21 .278 21 .936 1. 00 23 .14 B ATOM 1792 O LEU B 113 -39. 945 21 .101 23 .156 1. 00 24 .03 B ATOM 1793 N VAL B 114 -40. 543 22 .354 21 .387 1. 00 22 .81 π 13

ATOM 1794 CA VAL B 114 -41. 164 23 .386 22 .212 1. 00 23 .08

R

ATOM 1795 CB VAL B 114 -40. 297 24 .665 22 .246 1. 00 21 .14 B ATOM 1796 CGl VAL B 114 -40. 940 25 .707 23 .132 1. 00 19 .01 π

ATOM 1797 CG2 VAL B 114 -38. 914 24 .333 22 .764 1. 00 20 .93

D

ATOM 1798 C VAL B 114 -42. 563 23 .722 21 .676 1. 00 24 .25 B ATOM 1799 O VAL B 114 -42. 699 24 .433 20 .678 1. 00 23 .98 B 180

ATOM 1800 N PRO B 115 -43 .618 23 .219 22 .346 1 .00 25 .38 π

ATOM 1801 CD PRO B 115 -43 .501 22 .459 23 .600 1 .00 25 .96 rJ ATOM 1802 CA PRO B 115 -45 .034 23 .406 22 .008 1 .00 28 .00 ATOM 1803 CB PRO B 115 -45 .743 23 .031 23 .299 1 .00 26 .25

B ATOM 1804 CG PRO B 115 -44 .914 21 .922 23 .782 1 .00 27 .05

ATOM 1805 C PRO B 115 -45 .437 24 .786 21 .507 1 .00 31 .05

D

ATOM 1806 O PRO B 115 -44 .814 25 .795 21 .854 1 .00 30 .14

ATOM 1807 N ARG B 116 -46 .493 24 .804 20 .693 1 .00 34 .09 π £5

ATOM 1808 CA ARG B 116 -47 .030 26 .026 20 .095 1 .00 37 .75 B ATOM 1809 CB ARG B 116 -48 .273 25 .685 19 .261 1 .00 36 .98 β R

ATOM 1810 CG ARG B 116 -48 .791 26 .824 18 .398 1 .00 36 .92

D

ATOM 1811 CD ARG B 116 -50 .317 26 .839 18 .310 1 .00 38 .15 rs

ATOM 1812 NE ARG B 116 -50 .877 26 .056 17 .206 1 .00 39 .90 B ATOM 1813 CZ ARG B 116 -50 .743 24. .740 17 .054 1 .00 40 .61 π ID

ATOM 1814 NHl ARG B 116 -50 .054 24. , 023 17 .931 1. .00 40 .60

ATOM 1815 NH2 ARG B 116 -51, .328 24. ,132 16 , .029 1. .00 40 .52 B ATOM 1816 C ARG B 116 -47. .386 27. 087 21. ,150 1, , 00 39 , .80 B ATOM 1817 O ARG B 116 -48. ,567 27. 495 21. 204 1. 00 41. , 01 π £5

ATOM 1818 OXT ARG B 116 -46. 486 27. 509 21. 911 1. 00 42. .23

ATOM 1819 O HOH S 1 6. 470 27. 421 4. 144 1. 00 43. 04 S ATOM 1820 O HOH S 2 -32. 197 21. 947 33. 621 1. 00 29. 63 S ATOM 1821 O HOH S 3 -15. 554 8. 388 21. 656 1. 00 23. 65 S ATOM 1822 O HOH S 4 5. 924 16. 873 17. 604 1. 00 13. 90 S ATOM 1823 O HOH S 5 4. 416 19. 594 33. 534 1. 00 41. 17

D Q

ATOM 1824 O HOH S 6 -1. 874 5. 931 17. 204 1. 00 15. 39 S ATOM 1825 O HOH S 7 -13. 210 25. 687 10. 488 1. 00 43. 23 S ATOM 1826 O HOH S 8 -16. 674 11. 333 14. 187 1. 00 27. 94 b Q

ATOM 1827 O HOH S 9 -19. 215 18. 631 5. 472 1. 00 39. 71 S 181

ATOM 1828 O HOH S 10 -14 .997 14 , .485 15 .724 1 .00 12 .70 S ATOM 1829 O HOH S 11 -6 .846 18. .748 -1, .047 1, .00 46 .21

ATOM 1830 O HOH S 12 12 .459 15. ,697 15 , .488 1, .00 25 .38

O

ATOM 1831 O HOH S 13 -13 .350 8. 947 25. , 986 1. , 00 11 .78 S ATOM 1832 O HOH S 14 -17 .234 20. 098 7. 112 1. ,00 22 .60 b ATOM 1833 O HOH S 15 -27 .550 15. 264 22. 464 1. 00 21 .41

O

ATOM 1834 O HOH S 16 ~ 3 .086 8. 660 19. 531 1. 00 25 .48

O

ATOM 1835 O HOH S 17 O .058 8. 634 -4. 117 1. 00 30 .19 S ATOM 1836 O HOH S 18 -12 .530 6. 207 20. 775 1. 00 13 .70 S ATOM 1837 O HOH S 19 1 .121 5. 974 5. 432 1. 00 22 .64

O Q

ATOM 1838 O HOH S 20 -O .399 23. 656 31. 749 1. 00 20 .61

ATOM 1839 O HOH S 21 -9 .668 8. 299 9. 943 1. 00 10 .48 S ATOM 1840 O HOH S 22 -12, .191 21. 642 41. 780 1. 00 30 .96 S ATOM 1841 O HOH S 23 2 , , 656 19. 627 30. 754 1. 00 25 .81 S ATOM 1842 O HOH S 24 -20. ,415 24. 640 32. 318 1. 00 30 .00 S ATOM 1843 O HOH S 25 10. 609 16. 170 17. 262 1. 00 17 .37

D

ATOM 1844 O HOH S 26 -28. 184 17. 339 36. 096 1. 00 18 , .73 S ATOM 1845 O HOH S 27 -O . 332 17. 882 -4. 160 1. 00 24 , ,22

Dn

ATOM 1846 O HOH S 28 -32. 786 13. 362 30. 674 1. 00 26. ,71 q

ATOM 1847 O HOH S 29 -1. 875 19. 917 20. 345 1. 00 36. 52 S ATOM 1848 O HOH S 30 -11. 918 4. 885 4. 653 1. 00 29. 24 S ATOM 1849 O HOH S 31 19. 808 25. 594 9. 520 1. 00 32. 03 S ATOM 1850 O HOH S 32 -17. 193 9. 661 25. 660 1. 00 23. 53 S ATOM 1851 O HOH S 33 205 8. 948 11. 908 1. 00 15. 14

O

ATOM 1852 O HOH S 34 -1. 477 28. 665 -4. 037 1. 00 35. 32 S ATOM 1853 O HOH S 35 o . 083 14. 524 21. 981 1. 00 12. 00 S ATOM 1854 O HOH S 36 -25. 315 16. 808 20. 753 1. 00 22. 80 S ATOM 1855 O HOH S 37 -14. 721 24. 000 5. 670 1. 00 42. 28 S 182

ATOM 1856 O HOH S 38 -23 .348 11 .897 22 .573 1 .00 31 .42

D

ATOM 1857 O HOH S 39 -23 .754 28 .888 17 .095 1 .00 50 .06 S ATOM 1858 O HOH S 40 -3 .440 16 .050 19 .175 1 .00 27 .45

O Q

ATOM 1859 O HOH S 41 -21 .475 9 .164 29 .805 1 .00 40 .69 b

ATOM 1860 O HOH S 42 _ 3 .185 19 .121 -4 .929 1 .00 24 .64 S ATOM 1861 O HOH S 43 -1 .767 4 .571 5 .493 1 .00 19 .29

O

ATOM 1862 O HOH S 44 4 .710 15 .997 23 .141 1 .00 36 .80 b ATOM 1863 O HOH S 45 -5 .057 8 .630 27 .637 1 .00 15 .71

S ATOM 1864 O HOH S 46 -34 .847 19 .244 32 .280 1 .00 19 .76 b ATOM 1865 O HOH S 47 -2 .896 26 .575 -4 .733 1 .00 17 .30 ATOM 1866 O HOH S 48 -22 .677 15 .027 21 .175 1 .00 29 .03

O

ATOM 1867 O HOH S 49 -1 .694 16 .423 20 .762 1 .00 26 .52 S ATOM 1868 O HOH S 50 5 .968 24 .405 5 .638 1, .00 42 .18

O C

ATOM 1869 O HOH S 51 2 .677 20, .594 -3 .100 1, .00 44 .49 S ATOM 1870 O HOH S 52 -10 .258 -O. .457 -0 .264 1. .00 35 .53 S ATOM 1871 O HOH S 53 -20 .459 16. ,877 19, .881 1. 00 24 .42

ATOM 1872 O HOH S 54 -O .208 25. 939 30 , .338 1. 00 27, .41

O

ATOM 1873 O HOH S 55 -22 .996 27. 731 26. , 683 1. 00 62 , , 13 S ATOM 1874 O HOH S 56 O .173 29. 571 4. ,222 1. 00 39. ,42

G

ATOM 1875 O HOH S 57 -22 .858 25. 469 21. 167 1. 00 37. 17 S ATOM 1876 O HOH S 58 2 .045 11. 874 23. 711 1. 00 22. 34 S ATOM 1877 O HOH S 59 -37 .130 19. 448 33. 448 1. 00 30. 50 S ATOM 1878 O HOH S 60 -5 .950 10. 634 29. 367 1. 00 20. 52 S ATOM 1879 O HOH S 61 5 .653 19. 050 -1. 673 1. 00 35. 15 S ATOM 1880 O HOH S 62 10 .943 21. 466 1. 401 1. 00 26. 76 S ATOM 1881 O HOH S 63 -20 .061 26. 317 8. 844 1. 00 24. 64 S ATOM 1882 O HOH S 64 .236 24. 067 -4. 069 1. 00 33. 09 S ATOM 1883 O HOH S 65 -22 .913 19. 133 33. 499 1. 00 25. 46 S 183

ATOM 1884 O HOH S 66 7 .541 27 .428 16 .100 1 .00 39 .47

O

ATOM 1885 O HOH S 67 -36 .798 14 .446 23 .679 1 .00 20 .19

Q

O

ATOM 1886 O HOH S 68 -5 .784 16 .232 19 .166 1 .00 35 .19

O

ATOM 1887 O HOH S 69 -8 .795 10 .501 8 .369 1 .00 15 .71

O

ATOM 1888 O HOH S 70 -13 .547 3 .875 27 .754 1 .00 24 .06 S ATOM 1889 O HOH S 71 -10 .004 23 .953 13 .376 1 .00 30 .12

Q

O

ATOM 1890 O HOH S 72 -3 .535 33 .236 10 .355 1 .00 35 .90

O

ATOM 1891 O HOH S 73 -10 .348 16 .043 18 .791 1 .00 45 .78 S ATOM 1892 O HOH S 74 -6 .798 19 .431 25 .494 1 .00 19 .87

O

ATOM 1893 O HOH S 75 O .616 19 .682 33 .812 1 .00 25 .46 S ATOM 1894 O HOH S 76 -1 .186 3 .840 9 .892 1 .00 30 .50

O Q

ATOM 1895 O HOH S 77 8 .085 19 .048 4 .479 1 .00 28 .06

O

ATOM 1896 O HOH S 78 -15 .406 29 .987 33 .802 1 .00 41 .98 S ATOM 1897 O HOH S 79 9 .441 15 .278 -0. .104 1 .00 25 .57 S ATOM 1898 O HOH S 80 14 .736 24 .967 2 .648 1 .00 36 .31 S ATOM 1899 O HOH S 81 -12 .362 4 .354 32 , .270 1. .00 21. .65 S ATOM 1900 O HOH S 82 -27 .048 19. .576 35. , 007 1. , 00 24. , 13 S ATOM 1901 O HOH S 83 -8 .712 10. .583 -1. 651 1. .00 19. .95

O

ATOM 1902 O HOH S 84 -14 .589 25. 151 8. 009 1. 00 29. 93 S ATOM 1903 O HOH S 85 -25 .696 22. 156 36. 301 1. 00 20. 63 S ATOM 1904 O HOH S 86 -7 .652 19. 373 12. 311 1. 00 29. 83 σ

ATOM 1905 O HOH S 87 3 .391 7. 606 29. 104 1. 00 37. 81 S ATOM 1906 O HOH S 88 -29 .642 28. 048 18. 568 1. 00 38. 18 S ATOM 1907 O HOH S 89 -29 .628 15. 352 35. 222 1. 00 37. 27 S ATOM 1908 O HOH S 90 8 .095 14. 510 17. 017 1. 00 38. 62 q

ATOM 1909 O HOH S 91 -12 .456 24. 734 41. 828 1. 00 36. 85 S ATOM 1910 O HOH S 92 -33 .031 12. 384 33. 047 1. 00 28. 21 S ATOM 1911 O HOH S 93 -36 .292 17. 413 24. 184 1. 00 49. 38 S 184

ATOM 1912 O HOH S 94 -15.182 17.514 41 .815 1.00 17 .34

O Q

ATOM 1913 O HOH S 95 22.417 15.092 14 .128 1.00 33 .24

O Q

ATOM 1914 O HOH S 96 -17.063 14.017 13 .954 1.00 26 .79

O G

ATOM 1915 O HOH S 97 -33.290 24.222 34 .445 1.00 35 .99

D Q

ATOM 1916 O HOH S 98 -34.097 11.240 31 .161 1.00 37 .06

ATOM 1917 O HOH S 99 -24.805 28.770 14 .966 1.00 43 .66

O

ATOM 1918 O HOH S 100 -11.999 19.948 3 .259 1.00 27 .92

Oq

ATOM 1919 O HOH S 101 -6.090 26.163 11 .106 1.00 34 .60

O

ATOM 1920 O HOH S 102 -10.381 30.610 25 .713 1.00 33 .95

O Q

ATOM 1921 O HOH S 103 -23.257 11.789 18 .580 1.00 31 .42

O Q

ATOM 1922 O HOH S 104 -17.376 4.377 10 .854 1.00 24 .29

O Q

ATOM 1923 O HOH S 105 -9.957 8.267 -2 .709 1.00 22 .56

O Q

ATOM 1924 O HOH S 106 -12.981 15.689 16 .983 1.00 17 .42

Q

ATOM 1925 O HOH S 107 -23.285 9.222 22 .811 1.00 25 .39

On

ATOM 1926 O HOH S 108 2.508 9.609 12 .404 1.00 25 .31 c

ATOM 1927 O HOH S 109 -16.540 6.414 32 .431 1.00 26 .83 αq

END

185

Tim2

REMARK coordinates from minimization refinement

REMARK refinement resolution: 15 - 1.5 A

REMARK starting r= 0.1930 free_r= 0.2080

REMARK final r= 0.1923 free_r= 0.2081

REMARK rmsd bonds= 0.005198 rmsd angles= 1.61972

REMARK wa= 0.3067

REMARK target= mlf cycles= 1 steps= 20

REMARK sg= C2 a= 61.49 b= 60.41 C= 69.11 alpha= 90 beta= 115.9 gamma= 90

REMARK parameter file 1 : CNS_TOPPAR:protein_rep . param

REMARK parameter file 2 : CNS_TOPPAR: water_rep .param

REMARK parameter file 3 : CNS_TOPPAR: acy. param

REMARK molecular structure file: fin2_gen.mtf

REMARK input coordinates: 4bindi.pdb

REMARK reflection file= .. /natx3_free . cv

REMARK ncs= none

REMARK B-correction resolution: 6.0 - 1.5

REMARK initial B-factor correction applied to fobs :

REMARK BIl= 1.234 B22= 0.750 B33= -1.984

REMARK B12= 0.000 B13= 2.785 B23= 0.000

REMARK B-factor correction applied to coordinate array B: 0.041

REMARK bulk solvent: density level= 0.461171 e/A^A3, B-factor= 55.3491

A^A2

REMARK reflections with | Fobs | /sigma_F < 0 rejected

REMARK reflections with | Fobs | > 10000 * rms(Fobs) rejected

REMARK theoretical total number of refl. in resol . range: 36465 (

100.0 % )

REMARK number of unobserved reflections (no entry or |F| =0) : 575 (

1.6 % )

REMARK number of reflections rejected: 0 (

0.0 % )

REMARK total number of reflections used: 35890 (

98.4 % )

REMARK number of reflections in working set: 32319 (

88.6 % )

REMARK number of reflections in test set: 3571 (

9.8 % )

CRYSTl 61.490 60.410 69.110 90.00 115.90 90.00 C 2

REMARK FILENAME= " 4mini2. pdb"

REMARK DATE:

REMARK VERSION: 1.0

ATOM 1 CB ALA A 48.300 21.567 21.312 1.00 33.35

A

ATOM 2 C ALA A 46.067 21.958 20.260 1.00 31.36

A

ATOM O ALA A 45.261 21.321 20.940 1.00 32.49

A

ATOM N ALA A 46.882 23.429 22.097 1.00 33.37

A

ATOM CA ALA A 47.277 22.625 20.907 1.00 32.22

A

ATOM N VAL A 45.938 22.116 18.946 1.00 28.53

A 186

ATOM 7 CA VAL A 7 44 .832 21 .508 18 .219 1 .00 27 .30

A

ATOM 8 CB VAL A 7 44 .819 21 .940 16 .734 1 .00 26 .84

A

ATOM 9 CGl VAL A 7 43 .715 21 .203 15 .984 1 .00 27 .52

A

ATOM 10 CG2 VAL A 7 44 .606 23 .440 16 .631 1 .00 27 .06

A

ATOM 11 C VAL A 7 45 .014 19 .996 18 .291 1 .00 26 .40

A

ATOM 12 O VAL A 7 46 .114 19 .487 18 .067 1 .00 26 .64

A

ATOM 13 N GLN A 8 43 .936 19 .290 18 .613 1 .00 25 .95

A

ATOM 14 CA GLN A 8 43 .973 17 .839 18 .729 1 .00 25 .92

A

ATOM 15 CB GLN A 8 43 .102 17 .380 19 .901 1 .00 27 .89

A

ATOM 16 CG GLN A 8 43 .480 17 .968 21 .250 1 .00 30 .95

A

ATOM 17 CD GLN A 8 44 .832 17 .500 21 .741 1 .00 32 .80

A

ATOM 18 OEl GLN A 8 45 .091 16 .300 21 .835 1 .00 34 .64

A

ATOM 19 NE2 GLN A 8 45 .703 18 .447 22 .069 1 .00 35 .16

A

ATOM 20 C GLN A 8 43 .488 17 .160 17 .458 1 .00 24 .43

A

ATOM 21 O GLN A 8 42 .433 17 .501 16 .919 1 .00 24 .34

A

ATOM 22 N GLY A 9 44 .268 16 .192 16 .991 1 .00 22 .68

A

ATOM 23 CA GLY A 9 43 .910 15 .447 15 .799 1 .00 20 .00

A

ATOM 24 C GLY A 9 43 .958 13 .965 16 .113 1 .00 17 .97

A

ATOM 25 O GLY A 9 44 .497 13 .560 17 .144 1 .00 18 .95

A

ATOM 26 N LEU A 10 43 .388 13 .155 15 .229 1 .00 17 .68

A

ATOM 27 CA LEU A 10 43 .373 11 .709 15 .414 1 .00 17 .39

A

ATOM 28 CB LEU A 10 41 .945 11 .226 15 .667 1 .00 19 .89

A

ATOM 29 CG LEU A 10 41 .762 9 .725 15 .900 1 .00 20 .43

A

ATOM 30 CDl LEU A 10 42 .583 9 .274 17 .103 1 .00 22 .06

A

ATOM 31 CD2 LEU A 10 40 .281 9 .434 16 .112 1 .00 22 .91

A

ATOM 32 C LEU A 10 43 .926 11 .049 14 .160 1 .00 16 .30

A

ATOM 33 O LEU A 10 43 .429 11 .284 13 .059 1 .00 15 .53

A

ATOM 34 N ALA A 11 44 .949 10 .218 14 .334 1 .00 16 .20

A 187

ATOM 35 CA ALA A 11 45.581 9.537 13.209 1.00 16.68

A

ATOM 36 CB ALA A 11 46.614 8.539 13.721 1.00 16.19

A

ATOM 37 C ALA A 11 44.566 8.834 12.314 1.00 16.76

A

ATOM 38 O ALA A 11 43.662 8.153 12.794 1.00 17.54

A

ATOM 39 N GLY A 12 44.721 9.009 11.006 1.00 16.63

A

ATOM 40 CA GLY A 12 43.812 8.381 10.067 1.00 17.28

A

ATOM 41 C GLY A 12 42.655 9.280 9.683 1.00 17.51

A

ATOM 42 O GLY A 12 41.918 8.982 8.744 1.00 19.60

A

ATOM 43 N HIS A 13 42.499 10.382 10.410 1.00 16.53

A

ATOM 44 CA HIS A 13 41.427 11.332 10.146 1.00 16.93

A

ATOM 45 CB HIS A 13 40.576 11.551 11.399 1.00 18.49

A

ATOM 46 CG HIS A 13 39.864 10.325 11.877 1.00 22.25

A

ATOM 47 CD2 HIS A 13 38.544 10.027 11.925 1.00 23.69

A

ATOM 48 NDl HIS A 13 40.524 9.232 12.395 1.00 24.10

A

ATOM 49 CEl HIS A 13 39.641 8.313 12.743 1.00 24.88

A

ATOM 50 NE2 HIS A 13 38.433 8.770 12.468 1.00 26.25

A

ATOM 51 C HIS A 13 42.001 12.674 9.730 1.00 15.87

A

ATOM 52 O HIS A 13 43.172 12.965 9.974 1.00 15.49

A

ATOM 53 N PRO A 14 41.184 13.508 9.079 1.00 16.10

A

ATOM 54 CD PRO A 14 39.835 13.268 8.532 1.00 15.72

A

ATOM 55 CA PRO A 14 41.693 14.817 8.672 1.00 15.46

A

ATOM 56 CB PRO A 14 40.720 15.237 7.579 1.00 15.59

A

ATOM 57 CG PRO A 14 39.415 14.656 8.078 1.00 15.84

A

ATOM 58 C PRO A 14 41.617 15.750 9.870 1.00 15.59

A

ATOM 59 O PRO A 14 40.911 15.475 10.838 1.00 16.30

A

ATOM 60 N VAL A 15 42.366 16.841 9.811 1.00 13.61

A

ATOM 61 CA VAL A 15 42.323 17.838 10.869 1.00 14.01

A

ATOM 62 CB VAL A 15 43.512 17.711 11.843 1.00 14.54

A 188

ATOM 63 CGl VAL A 15 44 .813 18 .060 11 .146 1 .00 15 .08

A

ATOM 64 CG2 VAL A 15 43 .274 18 .609 13 .056 1 .00 16 .65

A

ATOM 65 C VAL A 15 42 .359 19 .189 10 .174 1 .00 13 .21

A

ATOM 66 O VAL A 15 43 .042 19 .354 9 .168 1 .00 12 .82

A

ATOM 67 N THR A 16 41 .599 20 .145 10 .688 1 .00 12 .40

A

ATOM 68 CA THR A 16 41 .563 21 .465 10 .080 1 .00 12 .44

A

ATOM 69 CB THR A 16 40 .135 21 .814 9 .622 1 .00 12 .94

A

ATOM 70 OGl THR A 16 39 .730 20 .893 8 .600 1 .00 15 .33

A

ATOM 71 CG2 THR A 16 40 .074 23 .240 9 .076 1 .00 14 .43

A

ATOM 72 C THR A 16 42 .075 22 .542 11 .025 1 .00 11 .87

A

ATOM 73 O THR A 16 41 .677 22 .602 12 .191 1 .00 13 .79

A

ATOM 74 N LEU A 17 42 .980 23 .372 10 .509 1 .00 10 .97

A

ATOM 75 CA LEU A 17 43 .571 24 .475 11 .265 1. .00 10 .47

A

ATOM 76 CB LEU A 17 45 .085 24 .491 11. .076 1. .00 10 .25

A

ATOM 77 CG LEU A 17 45 .831 23 .213 11 , .477 1 , .00 11. .64

A

ATOM 78 CDl LEU A 17 47 .324 23 .409 11. ,250 1. ,00 13. .18

A

ATOM 79 CD2 LEU A 17 45 .552 22 .888 12. 935 1. 00 14. ,11

A

ATOM 80 C LEU A 17 42 .967 25 .760 10. 712 1. 00 10. 16

A

ATOM 81 O LEU A 17 43 .268 26 .160 9. 591 1. 00 11. 42

A

ATOM 82 N PRO A 18 42 .102 26 .423 11. 490 1. 00 10. 93

A

ATOM 83 CD PRO A 18 41 .562 26 .042 12. 808 1. 00 11. 78

A

ATOM 84 CA PRO A 18 41 .481 27 .658 11. 009 1. 00 10. 58

A

ATOM 85 CB PRO A 18 40 .494 28 .011 12. 124 1. 00 13. 12

A

ATOM 86 CG PRO A 18 40 .200 26 .684 12. 780 1. 00 14. 37

A

ATOM 87 C PRO A 18 42 .406 28 .832 10. 706 1. 00 11. 98

A

ATOM 88 O PRO A 18 43 .326 29 .139 11. 458 1. 00 12. 01

A

ATOM 89 N CYS A 19 42 .165 29 .466 9. 568 1. 00 10. 34

A

ATOM 90 CA CYS A 19 42 .892 30 .670 9. 193 1. 00 10. 64

A 189

ATOM 91 C CYS A 19 41 .903 31 .373 8 .293 1 .00 10 .62

A

ATOM 92 O CYS A 19 41 .606 30 .904 7 .189 1 .00 11 .15

A

ATOM 93 CB CYS A 19 44 .179 30 .389 8 .432 1 .00 11 .08

A

ATOM 94 SG CYS A 19 45 .201 31 .900 8 .417 1 .00 13 .66

A

ATOM 95 N ILE A 20 41 .399 32 .505 8 .766 1 .00 10 .29

A

ATOM 96 CA ILE A 20 40 .374 33 .240 8 .048 1 .00 9 .72

A

ATOM 97 CB ILE A 20 38 .987 32 .908 8 .663 1 .00 12 .05

A

ATOM 98 CG2 ILE A 20 37 .863 33 .515 7 .823 1 .00 12 .94

A

ATOM 99 CGl ILE A 20 38 .819 31 .386 8 .755 1 .00 14 .79

A

ATOM 100 CDl ILE A 20 37 .587 30 .943 9 .528 1 .00 18 .79

A

ATOM 101 C ILE A 20 40 .625 34 .734 8 .178 1 .00 10 .00

A

ATOM 102 O ILE A 20 41 .176 35. .195 9 .174 1. .00 10 .74

A

ATOM 103 N TYR A 21 40 .211 35 .496 7. .175 1, .00 8 .71

A

ATOM 104 CA TYR A 21 40 .386 36 .938 7. .232 1 , .00 8 .41

A

ATOM 105 CB TYR A 21 41 .762 37. .342 6. .676 1. , 00 9, .11

A

ATOM 106 CG TYR A 21 41. .898 37. ,241 5. .170 1. 00 8. .68

A

ATOM 107 CDl TYR A 21 41. , 849 38. 386 4. 370 1. 00 9. 68

A

ATOM 108 CEl TYR A 21 41. 988 38. 311 2. 984 1. 00 8. 75

A

ATOM 109 CD2 TYR A 21 42. 087 36. 006 4. 547 1. 00 7. 69

A

ATOM 110 CE2 TYR A 21 42. 224 35. 918 3. 157 1. 00 8. 70

A

ATOM 111 CZ TYR A 21 42. 173 37. 079 2. 385 1. 00 9. 37

A

ATOM 112 OH TYR A 21 42. 295 37. 011 1. 010 1. 00 9. 99

A

ATOM 113 C TYR A 21 39. 272 37. 604 6. 447 1. 00 8. 35

A

ATOM 114 O TYR A 21 38. 651 36. 992 5. 583 1. 00 9. 69

A

ATOM 115 N SER A 22 39. 007 38. 860 6. 772 1. 00 8. 92

A

ATOM 116 CA SER A 22 37. 971 39. 614 6. 090 1. 00 9. 61

A

ATOM 117 CB SER A 22 37. 530 40. 796 6. 952 1. 00 10. 29

A

ATOM 118 OG SER A 22 36. 715 41. 677 6. 194 1. 00 11. 66

A 190

ATOM 119 C SER A 22 38 .495 40 .134 4 .760 1 .00 9 .66

A

ATOM 120 O SER A 22 39 .424 40 .948 4 .727 1 .00 11 .30

A

ATOM 121 N THR A 23 37 .908 39 .664 3 .665 1 .00 9 .54

A

ATOM 122 CA THR A 23 38 .322 40 .131 2 .348 1 .00 9 .98

A

ATOM 123 CB THR A 23 37 .897 39 .158 1 .238 1 .00 11 .28

A

ATOM 124 OGl THR A 23 36 .491 38 .910 1 .343 1 .00 13 .19

A

ATOM 125 CG2 THR A 23 38 .662 37 .842 1 .349 1 .00 12 .17

A

ATOM 126 C THR A 23 37 .702 41 .501 2 .076 1 .00 11 .99

A

ATOM 127 O THR A 23 38 .165 42 .244 1 .209 1 .00 12 .95

A

ATOM 128 N HIS A 24 36 .650 41 .833 2 .816 1 .00 11 .95

A

ATOM 129 CA HIS A 24 35 .996 43 .125 2 .655 1 .00 13 .28

A

ATOM 130 CB HIS A 24 34 .731 43 .185 3 .514 1 .00 17 .02

A

ATOM 131 CG HIS A 24 33 .892 44 .403 3 .285 1 .00 22 .39

A

ATOM 132 CD2 HIS A 24 33 .480 45 .373 4 .136 1 .00 24 , .91

A

ATOM 133 NDl HIS A 24 33 .323 44 , .697 2 .065 1 .00 26, , 05

A

ATOM 134 CEl HIS A 24 32. .592 45. ,792 2 .176 1, .00 26. ,68

A

ATOM 135 NE2 HIS A 24 32. , 670 46. ,223 3 .422 1, , 00 26. 98

A

ATOM 136 C HIS A 24 36. ,965 44. 217 3 .086 1. ,00 13. 22

A

ATOM 137 O HIS A 24 37. 043 45. 275 2 .459 1. 00 14. 57

A

ATOM 138 N LEU A 25 37. 705 43. 964 4 .160 1. 00 12. 29

A

ATOM 139 CA LEU A 25 38. 653 44. 957 4 .645 1. 00 11. 98

A

ATOM 140 CB LEU A 25 38. 615 45. 021 6 .172 1. 00 14. 86

A

ATOM 141 CG LEU A 25 37. 264 45. 463 6 .742 1. 00 15. 75

A

ATOM 142 CDl LEU A 25 37. 388 45. 597 8 .245 1. 00 19. 06

A

ATOM 143 CD2 LEU A 25 36. 834 46. 792 6 .125 1. 00 20. 70

A

ATOM 144 C LEU A 25 40. 081 44. 737 4 .168 1. 00 11. 62

A

ATOM 145 O LEU A 25 40. 844 45. 692 4 .021 1. 00 12. 67

A

ATOM 146 N GLY A 26 40. 444 43. 489 3 .902 1. 00 10. 63

A 191

ATOM 147 CA GLY A 26 41 .801 43 .228 3. .467 1. .00 12 .27

A

ATOM 148 C GLY A 26 41 .973 43 .061 1. 973 1. 00 12 .23

A

ATOM 149 O GLY A 26 43 .101 43 .099 1. 476 1. 00 14 .16

A

ATOM 150 N GLY A 27 40 .860 42 .916 1. 257 1. 00 12 .61

A

ATOM 151 CA GLY A 27 40 .931 42 .674 -0. 171 1. 00 11 .91

A

ATOM 152 C GLY A 27 41 .239 41 .192 -0. 300 1. 00 11 .44

A

ATOM 153 O GLY A 27 41 .480 40 .527 0. 703 1. 00 12 .57

A

ATOM 154 N ILE A 28 41 .221 40 .665 -1. 517 1. 00 9 .30

A

ATOM 155 CA ILE A 28 41 .519 39 .252 -1. 726 1. 00 10 .38

A

ATOM 156 CB ILE A 28 40 .680 38 .691 „ 2 880 1. 00 10 .47

A

ATOM 157 CG2 ILE A 28 41 .024 37 .225 -3. 111 1. 00 10 .98

A

ATOM 158 CGl ILE A 28 39 .197 38 .842 -2. 531 1. 00 12 .46

A

ATOM 159 CDl ILE A 28 38 .255 38 .438 -3. 643 1. 00 13 .51

A

ATOM 160 C ILE A 28 43 .005 39 .193 -2. 030 1. 00 11 .25

A

ATOM 161 O ILE A 28 43 .455 39 .630 092 1. 00 11 .77

A

ATOM 162 N VAL A 29 43 .764 38 .647 -1. 085 1. 00 10 .83

A

ATOM 163 CA VAL A 29 45 .219 38 .610 -1. 193 1. 00 9 .94

A

ATOM 164 CB VAL A 29 45 .826 39 .564 -0. 148 1. 00 10 .57

A

ATOM 165 CGl VAL A 29 45 .283 40 .989 -0. 356 1. 00 12 .84

A

ATOM 166 CG2 VAL A 29 45 .485 39 .070 1. 257 1. 00 12 .56

A

ATOM 167 C VAL A 29 45 .852 37 .232 -1. 005 1. 00 9 .25

A

ATOM 168 O VAL A 29 45 .223 36 .311 -0. 486 1. 00 10 .04

A

ATOM 169 N PRO A 30 47 .119 37 .076 -1. 431 1. 00 9 .96

A

ATOM 170 CD PRO A 30 47 .966 38 .051 -2. 138 1. 00 11 .53

A

ATOM 171 CA PRO A 30 47 .811 35 .790 -1. 291 1. 00 9 .50

A

ATOM 172 CB PRO A 30 49 .145 36 .020 -2. 012 1. 00 11 .39

A

ATOM 173 CG PRO A 30 48 .866 37 .153 -2. 947 1. 00 12 .51

A

ATOM 174 C PRO A 30 48 .043 35 .406 0. 167 1. 00 10 .45

A 192

ATOM 175 O PRO A 30 48 .086 36 .259 1 .055 1. 00 10. ,27

A

ATOM 176 N MET A 31 48 .197 34 .111 0 .405 1. 00 10. 13

A

ATOM 177 CA MET A 31 48 .467 33 .627 1 .751 1. 00 9. 84

A

ATOM 178 CB MET A 31 47 .168 33 .282 2 .497 1. 00 9. 65

A

ATOM 179 CG MET A 31 46 .468 31 .974 2 .085 1. 00 10. 19

A

ATOM 180 SD MET A 31 47 .191 30 .420 2 .716 1. 00 10. 34

A

ATOM 181 CE MET A 31 47 .058 30 .636 4 .459 1. 00 8. 99

A

ATOM 182 C MET A 31 49 .323 32 .392 1 .608 1. 00 10. 34

A

ATOM 183 O MET A 31 49 .452 31 .837 0 .517 1. 00 10. 40

A

ATOM 184 N CYS A 32 49 .935 31 .982 2 .708 1. 00 10. 23

A

ATOM 185 CA CYS A 32 50 .737 30 .778 2 .685 1. 00 11. 05

A

ATOM 186 C CYS A 32 50 .671 30 .085 4 .026 1. 00 10. 61

A

ATOM 187 O CYS A 32 50 .402 30 .707 5 .056 1. 00 10. 88

A

ATOM 188 CB CYS A 32 52 .198 31 .098 2 .333 1. 00 11. 97

A

ATOM 189 SG CYS A 32 53 .056 32 .203 3 .502 1. 00 16. 87

A

ATOM 190 N TRP A 33 50 .880 28 .776 3 .990 1. 00 10. 71

A

ATOM 191 CA TRP A 33 50 .922 27 .961 5 .190 1. 00 10. 90

A

ATOM 192 CB TRP A 33 49 .971 26 .773 5 .107 1. 00 10. 82

A

ATOM 193 CG TRP A 33 48 .600 27 .066 5 .598 1. 00 10. 30

A

ATOM 194 CD2 TRP A 33 48 .167 27 .062 6 .961 1. 00 9. 28

A

ATOM 195 CE2 TRP A 33 46 .791 27 .383 6 .961 1. 00 9. 70

A

ATOM 196 CE3 TRP A 33 48 .806 26 .816 8 .185 1. 00 10. 60

A

ATOM 197 CDl TRP A 33 47 .509 27 .383 4 .847 1. 00 10. 25

A

ATOM 198 NEl TRP A 33 46 .417 27 .573 5 .656 1. 00 10. 26

A

ATOM 199 CZ2 TRP A 33 46 .041 27 .462 8 .137 1. 00 10. 77

A

ATOM 200 CZ3 TRP A 33 48 .056 26 .893 9 .355 1. 00 10. 64

A

ATOM 201 CH2 TRP A 33 46 .687 27 .214 9 .319 1. 00 10. 94

A

ATOM 202 C TRP A 33 52 .335 27 .426 5 .215 1. 00 10. 95

A 193

ATOM 203 O TRP A 33 52 .909 27. ,146 4 .165 1 .00 11 .57

A

ATOM 204 N GLY A 34 52 .889 27. 282 6 .409 1 .00 10 .59

A

ATOM 205 CA GLY A 34 54 .234 26. 757 6 .525 1 .00 13 .05

A

ATOM 206 C GLY A 34 54 .413 25. 897 7 .755 1 .00 13 .92

A

ATOM 207 O GLY A 34 53 .622 25. 963 8 .697 1 .00 13 .88

A

ATOM 208 N LEU A 35 55 .449 25. 067 7 .735 1 .00 15 .00

A

ATOM 209 CA LEU A 35 55 .766 24. 217 8 .874 1 .00 16 .27

A

ATOM 210 CB LEU A 35 56 .533 22. 974 8 .416 1 .00 17 .21

A

ATOM 211 CG LEU A 35 55 .740 21. 971 7 .583 1 .00 19 .39

A

ATOM 212 CDl LEU A 35 56 .689 20. 978 6 .932 1 .00 21 .45

A

ATOM 213 CD2 LEU A 35 54 .728 21. 258 8 .468 1 .00 19 .93

A

ATOM 214 C LEU A 35 56 .652 25. 059 9 .776 1 .00 17 .01

A

ATOM 215 O LEU A 35 57 .543 25. 759 9 .288 1 .00 20 .76

A

ATOM 216 N GLY A 36 56 .401 25. 001 11 .079 1 .00 17 .06

A

ATOM 217 CA GLY A 36 57 .189 25. 770 12 .023 1 .00 18 .35

A

ATOM 218 C GLY A 36 56 .396 26. 900 12 .649 1 .00 19 .23

A

ATOM 219 O GLY A 36 55 .253 27. 159 12 .267 1 .00 17 .52

A

ATOM 220 N GLU A 37 56 .995 27. 573 13 .625 1 .00 19 .66

A

ATOM 221 CA GLU A 37 56 .335 28. 690 14 .283 1 .00 21 .08

A

ATOM 222 CB GLU A 37 56 .957 28. 938 15 .656 1 .00 24 .27

A

ATOM 223 CG GLU A 37 57 .055 27. 688 16 .521 1 .00 28 .93

A

ATOM 224 CD GLU A 37 57 .741 27. 947 17 .848 1 .00 32 .37

A

ATOM 225 OEl GLU A 37 58 .782 28. 635 17 .854 1 .00 34 .01

A

ATOM 226 OE2 GLU A 37 57 .252 27. 456 18 .886 1 .00 34 .62

A

ATOM 227 C GLU A 37 56 .516 29. 906 13 .384 1 .00 21 .81

A

ATOM 228 O GLU A 37 57 .541 30. 043 12 .710 1 .00 21 .31

A

ATOM 229 N CYS A 38 55 .528 30. 792 13 .384 1 .00 21 .43

A

ATOM 230 CA CYS A 38 55 .561 31. 972 12 .522 1 .00 24 .18

A 194

ATOM 231 C CYS A 38 56 .812 32 .847 12 .554 1 .00 27 .19

A

ATOM 232 O CYS A 38 57 .374 33 .168 11 .503 1 .00 28 .41

A

ATOM 233 CB CYS A 38 54 .344 32 .848 12 .797 1 .00 22 .59

A

ATOM 234 SG CYS A 38 52 .769 32 .143 12 .208 1 .00 19 .64

A

ATOM 235 N ARG A 39 57 .261 33 .240 13 .740 1 .00 29 .50

A

ATOM 236 CA ARG A 39 58 .425 34 .105 13 .767 1 .00 33 .90

A

ATOM 237 CB ARG A 39 58 .490 34 .894 15 .085 1 .00 35 .44

A

ATOM 238 CG ARG A 39 58 .126 34 .122 16 .338 1 .00 38 .41

A

ATOM 239 CD ARG A 39 59 .259 33 .235 16 .810 1 .00 40 .69

A

ATOM 240 NE ARG A 39 58 .900 32 .561 18 .055 1 .00 43 .23

A

ATOM 241 CZ ARG A 39 59 .695 31 .735 18 .728 1 .00 43 .98

A

ATOM 242 NHl ARG A 39 60 .915 31 .467 18 .285 1 .00 45 .03

A

ATOM 243 NH2 ARG A 39 59 .264 31 .170 19 .847 1 .00 44 .76

A

ATOM 244 C ARG A 39 59 .764 33 .427 13 .463 1 .00 35. .10

A

ATOM 245 O ARG A 39 60 .752 34 .122 13 .209 1 .00 35. , 96

A

ATOM 246 N HIS A 40 59 .825 32 .094 13 .463 1 .00 36. ,60

A

ATOM 247 CA HIS A 40 61 .108 31 .462 13 .156 1 .00 38. 69

A

ATOM 248 CB HIS A 40 61 .475 30 .365 14 .180 1 .00 40. 05

A

ATOM 249 CG HIS A 40 60 .695 29 .089 14 .048 1 .00 42. 39

A

ATOM 250 CD2 HIS A 40 59 .941 28 .416 14 .950 1 .00 43. 31

A

ATOM 251 NDl HIS A 40 60 .702 28 .315 12 .907 1 .00 43. 66

A

ATOM 252 CEl HIS A 40 59 .989 27 .221 13 .113 1 .00 43. 25

A

ATOM 253 NE2 HIS A 40 59 .517 27 .257 14 .345 1 .00 43. 34

A

ATOM 254 C HIS A 40 61 .215 30 .915 11 .732 1 .00 38. 90

A

ATOM 255 O HIS A 40 62 .322 30 .730 11 .219 1 .00 39. 19

A

ATOM 256 N SER A 41 60 .078 30 .702 11 .073 1 .00 38. 75

A

ATOM 257 CA SER A 41 60 .087 30 .173 9 .710 1 .00 38. 11

A

ATOM 258 CB SER A 41 59 .763 28 .673 9 .731 1 .00 39. 31

A 195

ATOM 259 OG SER A 41 60 .730 27. 948 10 .463 1 .00 41. 16

A

ATOM 260 C SER A 41 59 .124 30. 869 8 .748 1 .00 36. 84

A

ATOM 261 O SER A 41 59 .362 30. 902 7 .539 1 .00 36. 44

A

ATOM 262 N TYR A 42 58 .045 31. 435 9 .278 1 .00 35. 60

A

ATOM 263 CA TYR A 42 57 .056 32. 061 8 .416 1 .00 34. 27

A

ATOM 264 CB TYR A 42 57 .645 33. 301 7 .736 1 .00 36. 39

A

ATOM 265 CG TYR A 42 57 .977 34. 353 8 .759 1 .00 38. 91

A

ATOM 266 CDl TYR A 42 59 .176 34. 309 9 .470 1 .00 40. 28

A

ATOM 267 CEl TYR A 42 59 .415 35. 181 10 .528 1 .00 40. 96

A

ATOM 268 CD2 TYR A 42 57 .030 35. 307 9 .123 1 .00 39. 77

A

ATOM 269 CE2 TYR A 42 57 .256 36. 178 10 .176 1 .00 40. 43

A

ATOM 270 CZ TYR A 42 58 .447 36. 110 10 .879 1 .00 40. 80

A

ATOM 271 OH TYR A 42 58 .652 36. 943 11 .952 1 .00 41. 39

A

ATOM 272 C TYR A 42 56 .698 30. 966 7 .417 1 .00 32. 21

A

ATOM 273 O TYR A 42 56 .272 29. 884 7 .828 1 .00 32. 00

A

ATOM 274 N CYS A 43 56 .881 31. 211 6 .125 1 .00 28. 91

A

ATOM 275 CA CYS A 43 56 .578 30. 178 5 .143 1 .00 26. 57

A

ATOM 276 C CYS A 43 57 .789 29. 635 4 .391 1 .00 26. 46

ATOM 277 O CYS A 43 57 .670 29. 191 3 .250 1 .00 26. 40

A

ATOM 278 CB CYS A 43 55 .543 30. 671 4 .141 1 .00 24. 32

A

ATOM 279 SG CYS A 43 53 .894 30. 945 4 .858 1 .00 21. 61

A

ATOM 280 N ILE A 44 58 .949 29. 661 5 .039 1 .00 26. 54

A

ATOM 281 CA ILE A 44 60 .177 29. 152 4 .433 1 .00 27. 53

A

ATOM 282 CB ILE A 44 61 .360 29. 287 5 .402 1 .00 28. 89

A

ATOM 283 CG2 ILE A 44 62 .598 28. 633 4 .810 1 .00 30. 15

A

ATOM 284 CGl ILE A 44 61 .614 30. 766 5 .692 1 .00 31. 47

A

ATOM 285 CDl ILE A 44 62 .692 31. 019 6 .726 1 .00 33. 32

A

ATOM 286 C ILE A 44 60 .003 27. 683 4 .050 1 .00 26. 33

A 196

ATOM 287 O ILE A 44 60 .461 27 .243 2 .995 1 .00 27 .02

A

ATOM 288 N ARG A 45 59 .344 26 .930 4 .924 1 .00 24 .80

A

ATOM 289 CA ARG A 45 59 .068 25 .517 4 .694 1 .00 23 .08

A

ATOM 290 CB ARG A 45 59 .308 24 .733 5 .984 1 .00 26 .14

A

ATOM 291 CG ARG A 45 60 .731 24 .882 6 .519 1 .00 29 .39

A

ATOM 292 CD ARG A 45 60 .785 24 .638 8 .016 1 .00 32 .33

A

ATOM 293 NE ARG A 45 60 .336 23 .297 8 .376 1 .00 34 .23

A

ATOM 294 CZ ARG A 45 60 .021 22 .924 9 .612 1 .00 35 .03

A

ATOM 295 NHl ARG A 45 60 .104 23 .794 10 .610 1 .00 35 .01

A

ATOM 296 NH2 ARG A 45 59 .623 21 .682 9 .850 1 .00 37 .00

A

ATOM 297 C ARG A 45 57 .591 25 .503 4 .313 1 .00 21 .61

A

ATOM 298 O ARG A 45 56 .731 25 .106 5 .098 1 .00 20 .08

A

ATOM 299 N SER A 46 57 .312 25 .954 3 .095 1 .00 20 .17

A

ATOM 300 CA SER A 46 55 .945 26 .071 2 .610 1 .00 19 .03

A

ATOM 301 CB SER A 46 55 .918 26 .873 1 .308 1 .00 21 .78

A

ATOM 302 OG SER A 46 56 .551 26 .163 0 .263 1 .00 24 .83

A

ATOM 303 C SER A 46 55 .153 24 .793 2 .403 1 .00 16 .77

A

ATOM 304 O SER A 46 55 .678 23 .759 1 .982 1 .00 18 .28

A

ATOM 305 N LEU A 47 53 .865 24 .895 2 .706 1 .00 13 .62

A

ATOM 306 CA LEU A 47 52 .929 23 .800 2 .539 1 .00 13 .08

A

ATOM 307 CB LEU A 47 52 .187 23 .526 3 .845 1 .00 13 .28

A

ATOM 308 CG LEU A 47 53 .025 22 .994 5 .001 1 .00 12 .91

A

ATOM 309 CDl LEU A 47 52 .178 22 .957 6 .260 1 .00 13 .45

A

ATOM 310 CD2 LEU A 47 53 .548 21 .598 4 .654 1 .00 13 .74

A

ATOM 311 C LEU A 47 51 .916 24 .218 1 .485 1 .00 12 .93

A

ATOM 312 O LEU A 47 51 .490 23 .411 0 .656 1 .00 13 .40

A

ATOM 313 N ILE A 48 51 .547 25 .497 1 .532 1 .00 12 .06

A

ATOM 314 CA ILE A 48 50 .555 26 .066 0 .628 1 .00 11 .91

A 197

ATOM 315 CB ILE A 48 49 , .140 26 .061 1. .279 1, .00 12 .12

A

ATOM 316 CG2 ILE A 48 48. 161 26 .894 0. .431 1. ,00 12 .45

A

ATOM 317 CGl ILE A 48 48. 635 24 .632 1. ,470 1. .00 13 .35

A

ATOM 318 CDl ILE A 48 48. 265 23 .935 0. 190 1. 00 13 .08

A

ATOM 319 C ILE A 48 50. 832 27 .519 0. 278 1. 00 11 .93

A

ATOM 320 O ILE A 48 51. 323 28 .286 1. 100 1. 00 12 .43

A

ATOM 321 N TRP A 49 50. 511 27 .877 -0. 957 1. 00 12 .33

A

ATOM 322 CA TRP A 49 50. 582 29 .256 -1. 418 1. 00 13 .05

A

ATOM 323 CB TRP A 49 51. 794 29 .513 -2. 320 1. 00 16 .86

A

ATOM 324 CG TRP A 49 52. 994 29 .996 -1. 576 1. 00 20 .05

A

ATOM 325 CD2 TRP A 49 53. 216 31 .321 „ 2 073 1. 00 21 .91

A

ATOM 326 CE2 TRP A 49 54. 471 31 .314 -0. 424 1. 00 22 .11

A

ATOM 327 CE3 TRP A 49 52. 476 32 , .512 -1. 106 1. 00 23 , .05

A

ATOM 328 CDl TRP A 49 54. 089 29. .264 -1. 223 1. 00 22. .67

A

ATOM 329 NEl TRP A 49 54. 981 30. , 047 -0. 532 1. 00 23. , 71

A

ATOM 330 CZ2 TRP A 49 55. 007 32. 455 0. 189 1. 00 23. 70

A

ATOM 331 CZ3 TRP A 49 53. 009 33. 648 -0. 495 1. 00 24. 59

A

ATOM 332 CH2 TRP A 49 54. 264 33. 608 0. 143 1. 00 23. 56

A

ATOM 333 C TRP A 49 49. 314 29. 449 -2. 235 1. 00 12. 74

A

ATOM 334 O TRP A 49 48. 898 28. 539 -2. 952 1. 00 12. 80

A

ATOM 335 N THR A 50 48. 674 30. 605 -2. 096 1. 00 11. 32

A

ATOM 336 CA THR A 50 47. 492 30. 911 -2. 908 1. 00 11. 13

A

ATOM 337 CB THR A 50 46. 199 31. 185 -2. 093 1. 00 11. 16

A

ATOM 338 OGl THR A 50 46. 302 32. 467 -1. 455 1. 00 11. 68

A

ATOM 339 CG2 THR A 50 45. 958 30. 102 -1. 056 1. 00 12. 83

A

ATOM 340 C THR A 50 47. 809 32. 227 -3. 591 1. 00 11. 04

A

ATOM 341 O THR A 50 48. 785 32. 897 -3. 248 1. 00 13. 02

A

ATOM 342 N ASN A 51 46. 986 32. 587 -4. 565 1. 00 11. 67

A 198

ATOM 343 CA ASN A 51 47 .141 33 .864 -5 .244 1 .00 10 .94

A

ATOM 344 CB ASN A 51 47 .157 33 .674 -6 .768 1 .00 11 .92

A

ATOM 345 CG ASN A 51 45 .828 33 .189 -7 .322 1 .00 12 .01

A

ATOM 346 ODl ASN A 51 44 .918 32 .825 -6 .580 1 .00 11 .73

A

ATOM 347 ND2 ASN A 51 45 .719 33 .176 -8 .650 1 .00 14 .74

A

ATOM 348 C ASN A 51 45 .936 34 .693 -4 .809 1 .00 11 .76

A

ATOM 349 O ASN A 51 45 .589 35 .694 -5 .437 1 .00 12 .80

A

ATOM 350 N GLY A 52 45 .322 34 .260 -3 .707 1 .00 10 .55

A

ATOM 351 CA GLY A 52 44 .151 34 .922 -3 .165 1 .00 10 .72

A

ATOM 352 C GLY A 52 42 .856 34 .252 -3 .591 1 .00 11 .02

A

ATOM 353 O GLY A 52 41 .852 34 .323 -2 .883 1 .00 11 .25

A

ATOM 354 N TYR A 53 42 .880 33 .588 -4 .744 1 .00 10 .69

A

ATOM 355 CA TYR A 53 41 .679 32 .949 -5 .277 1 .00 10 .38

A

ATOM 356 CB TYR A 53 41 .378 33. .503 -6 .676 1 .00 12 .32

A

ATOM 357 CG TYR A 53 41 .177 34 , , 993 -6 .676 1 .00 11 .39

A

ATOM 358 CDl TYR A 53 42 .267 35. 860 -6 .644 1. , 00 12 , .57

A

ATOM 359 CEl TYR A 53 42 .084 37. 241 -6 .562 1. , 00 10. .87

A

ATOM 360 CD2 TYR A 53 39 .890 35. 540 -6 .631 1. 00 11. .06

A

ATOM 361 CE2 TYR A 53 39 .700 36. 915 -6 .546 1. 00 9. 77

A

ATOM 362 CZ TYR A 53 40 .801 37. 757 -6 .509 1. 00 9. 92

A

ATOM 363 OH TYR A 53 40 .620 39. 119 -6 .385 1. 00 12. 16

A

ATOM 364 C TYR A 53 41 .732 31. 439 -5 .349 1. 00 11. 56

A

ATOM 365 O TYR A 53 40 .702 30. 771 -5 .242 1. 00 13. 04

A

ATOM 366 N THR A 54 42 .933 30. 906 -5 .531 1. 00 11. 15

A

ATOM 367 CA THR A 54 43 .101 29. 467 -5 .644 1. 00 12. 31

A

ATOM 368 CB THR A 54 42 .938 29. 038 -7 .122 1. 00 11. 84

A

ATOM 369 OGl THR A 54 42 .656 27. 635 -7 .191 1. 00 15. 51

A

ATOM 370 CG2 THR A 54 44 .206 29. 341 -7 .912 1. 00 13. 31

A 199

ATOM 371 C THR A 54 44 .492 29 .077 -5 .156 1 .00 10 .73

A

ATOM 372 O THR A 54 45 .381 29 .921 -5 .057 1 .00 11 .00

A

ATOM 373 N VAL A 55 44 .675 27 .801 -4 .836 1 .00 10 .86

A

ATOM 374 CA VAL, A 55 45 .978 27 .321 -4 .396 1 .00 11 .24

A

ATOM 375 CB VAL A 55 45 .864 25 .929 -3 .733 1 .00 10 .26

A

ATOM 376 CGl VAL A 55 47 .252 25 .347 -3 .482 1 .00 11 .98

A

ATOM 377 CG2 VAL A 55 45 .102 26 .047 -2 .425 1 .00 11 .91

A

ATOM 378 C VAL A 55 46 .874 27 .232 -5 .629 1 .00 12 .37

A

ATOM 379 O VAL A 55 46 .515 26 .587 -6 .622 1 .00 13 .50

A

ATOM 380 N THR A 56 48 .032 27 .885 -5 .567 1 .00 12 .81

A

ATOM 381 CA THR A 56 48 .970 27 .887 -6 .691 1 .00 14 .25

A

ATOM 382 CB THR A 56 49 .409 29 .322 -7 .037 1 .00 14 .24

A

ATOM 383 OGl THR A 56 49 .919 29 .964 -5 .861 1 .00 15 .87

A

ATOM 384 CG2 THR A 56 48 .225 30, .117 -7 .576 1 .00 15 .87

A

ATOM 385 C THR A 56 50 .205 27. .028 -6 .440 1 .00 15 .70

A

ATOM 386 O THR A 56 50 .962 26. .729 -7. .371 1. , 00 17. .32

A

ATOM 387 N HIS A 57 50 .411 26. 645 -5. .183 1, , 00 14 , .27

A

ATOM 388 CA HIS A 57 51 .530 25. 787 -4. 800 1. 00 15. 95

A

ATOM 389 CB HIS A 57 52 .776 26. 611 -4. 451 1. 00 17. 40

A

ATOM 390 CG HIS A 57 53 .308 27. 421 -5. 592 1. 00 22. 64

A

ATOM 391 CD2 HIS A 57 54 .282 27. 155 -6. 494 1. 00 24. 28

A

ATOM 392 NDl HIS A 57 52 .803 28. 658 928 1. 00 25. 04

A

ATOM 393 CEl HIS A 57 53 .442 29. 119 -6. 989 1. 00 26. 14

A

ATOM 394 NE2 HIS A 57 54 .345 28. 226 -7. 352 1. 00 26. 32

A

ATOM 395 C HIS A 57 51 .135 24. 957 - 3 586 1. 00 14. 53

A

ATOM 396 O HIS A 57 50 .465 25. 449 -2. 676 1. 00 14. 13

A

ATOM 397 N GLN A 58 51 .541 23. 691 -3. 578 1. 00 13. 78

A

ATOM 398 CA GLN A 58 51 .245 22. 801 -2. 461 1. 00 14. 08

A 200

ATOM 399 CB GLN A 58 49. ,913 22 .063 -2 .682 1. .00 14 .86

A

ATOM 400 CG GLN A 58 49. 895 21 .099 -3 .867 1. ,00 16 .82

A

ATOM 401 CD GLN A 58 48. 514 20 .517 -4 .119 1. ,00 17 .05

A

ATOM 402 OEl GLN A 58 47. 512 21 .227 -4 .058 1. 00 17 .27

A

ATOM 403 NE2 GLN A 58 48. 458 19 .224 -4 .419 1. 00 18 .07

A

ATOM 404 C GLN A 58 52. 375 21 .795 -2 .302 1. 00 13 .58

A

ATOM 405 O GLN A 58 52. 868 21 .256 - 3 .290 1. 00 15 .47

A

ATOM 406 N ARG A 59 52. 794 21 .555 - 1 .063 1. 00 13 .04

A

ATOM 407 CA ARG A 59 53. 869 20 .593 -0 .799 1. 00 12 .61

A

ATOM 408 CB ARG A 59 54. 136 20 .492 0 .703 1. 00 12 .77

A

ATOM 409 CG ARG A 59 55. 235 19 .498 1 .061 1. 00 16 .62

A

ATOM 410 CD ARG A 59 55. 595 19, .602 2 .532 1. 00 20 .73

A

ATOM 411 NE ARG A 59 56. 275 20, .862 2 .834 1. 00 25 .90

A

ATOM 412 CZ ARG A 59 57. 587 21. .053 2 .724 1. 00 28 .22

A

ATOM 413 NHl ARG A 59 58. 374 20. 064 2 , .320 1. 00 30 .55

A

ATOM 414 NH2 ARG A 59 58. 114 22. 234 3 , .022 1. 00 28 .82

A

ATOM 415 C ARG A 59 53. 463 19. 231 -1. .362 1. 00 14 .21

A

ATOM 416 O ARG A 59 54. 239 18. 578 -2. , 060 1. 00 15 .25

A

ATOM 417 N ASN A 60 52. 253 18. 796 -1. 028 1. 00 12 .65

A

ATOM 418 CA ASN A 60 51. 706 17. 558 -1. 563 1. 00 11 .53

A

ATOM 419 CB ASN A 60 52. 339 16. 290 -0. 935 1. 00 10 .80

A

ATOM 420 CG ASN A 60 51. 995 16. 086 0. 524 1. 00 10 .85

A

ATOM 421 ODl ASN A 60 50. 841 16. 148 0. 925 1. 00 12 .27

A

ATOM 422 ND2 ASN A 60 53. 015 15. 797 1. 325 1. 00 12 .81

A

ATOM 423 C ASN A 60 50. 193 17. 602 -1. 409 1. 00 12 .24

A

ATOM 424 O ASN A 60 49. 655 18. 505 -0. 765 1. 00 11 .30

A

ATOM 425 N SER A 61 49. 511 16. 649 -2. 027 1. 00 11 .50

A

ATOM 426 CA SER A 61 48. 055 16. 613 -2. 021 1. 00 11 .80

A 201

ATOM 427 CB SER A 61 47.577 15.511 -2 .966 1.00 13 .32

A

ATOM 428 OG SER A 61 48.070 15.739 -4 .278 1.00 14 .75

A

ATOM 429 C SER A 61 47.337 16.486 -0 .686 1.00 10 .87

A

ATOM 430 O SER A 61 46.135 16.728 -0 .620 1.00 11 .80

A

ATOM 431 N ARG A 62 48.045 16.101 0 .370 1.00 10 .57

A

ATOM 432 CA ARG A 62 47.409 15.981 1 .673 1.00 11 .98

A

ATOM 433 CB ARG A 62 48.287 15.201 2 .649 1.00 13 .42

A

ATOM 434 CG ARG A 62 48.349 13.717 2 .384 1.00 15 .01

A

ATOM 435 CD ARG A 62 48.737 12.972 3 .655 1.00 14 .34

A

ATOM 436 NE ARG A 62 50.000 13.441 4 .226 1.00 13 .18

A

ATOM 437 CZ ARG A 62 50.162 13.779 5 .504 1.00 11 .23

A

ATOM 438 NHl ARG A 62 49.144 13.711 6 .351 1.00 12 .12

A

ATOM 439 NH2 ARG A 62 51.350 14.172 5 .941 1.00 13 .67

A

ATOM 440 C ARG A 62 47.085 17.334 2 .284 1.00 12 .45

A

ATOM 441 O ARG A 62 46.278 17.416 3 .202 1.00 12 .52

A

ATOM 442 N TYR A 63 47.720 18.390 1 .787 1.00 11 .45

A

ATOM 443 CA TYR A 63 47.471 19.729 2 .308 1.00 11 .45

A

ATOM 444 CB TYR A 63 48.772 20.527 2 .347 1.00 10 .84

A

ATOM 445 CG TYR A 63 49.834 19.847 3 .184 1.00 11 .10

A

ATOM 446 CDl TYR A 63 50.875 19.133 2 .588 1.00 11 .70

A

ATOM 447 CEl TYR A 63 51.832 18.468 3 .363 1.00 11 .60

A

ATOM 448 CD2 TYR A 63 49.773 19.883 4 .576 1.00 11 .20

A

ATOM 449 CE2 TYR A 63 50.719 19.224 5 .356 1.00 13 .33

A

ATOM 450 CZ TYR A 63 51.743 18.520 4 .745 1.00 12 .01

A

ATOM 451 OH TYR A 63 52.675 17.861 5 .519 1.00 14 .57

A

ATOM 452 C TYR A 63 46.438 20.396 1 .414 1.00 11 .03

A

ATOM 453 O TYR A 63 46.709 20.719 0 .260 1.00 12 .35

A

ATOM 454 N GLN A 64 45.243 20.581 1 .964 1.00 11 .04

A 202

ATOM 455 CA GLN A 64 44 .128 21 .142 1. .219 1. .00 10 .82

A

ATOM 456 CB GLN A 64 43 .049 20 .065 1. .057 1, ,00 12 .15

A

ATOM 457 CG GLN A 64 43 .456 18 .854 0 , .239 1. .00 13 .16

A

ATOM 458 CD GLN A 64 43 .479 19 .159 -1. .242 1. .00 14 .39

A

ATOM 459 OEl GLN A 64 42 .581 19 .823 755 1. 00 16 .76

A

ATOM 460 NE2 GLN A 64 44 .499 18 .669 -1. 942 1. 00 16 .26

A

ATOM 461 C GLN A 64 43 .468 22 .356 1. 850 1. 00 11 .21

A

ATOM 462 O GLN A 64 43 .378 22 .465 3. 068 1. 00 12 .18

A

ATOM 463 N LEU A 65 43 .011 23 .267 1. 003 1. 00 11 .70

A

ATOM 464 CA LEU A 65 42 .256 24 .422 1. 471 1. 00 11 .97

A

ATOM 465 CB LEU A 65 42 .797 25 .723 0. 872 1. 00 12 .73

A

ATOM 466 CG LEU A 65 43 .790 26 .476 1. 770 1. 00 14 .00

A

ATOM 467 CDl LEU A 65 44 .940 25 .580 2. 169 1. 00 16 .00

A

ATOM 468 CD2 LEU A 65 44 .294 27 .717 1. 036 1. 00 13 .60

A

ATOM 469 C LEU A 65 40 .863 24 .091 0. 940 1. 00 11 .41

A

ATOM 470 O LEU A 65 40 .568 24 .279 -0. 241 1. 00 13 .40

A

ATOM 471 N LYS A 66 40 .018 23 .558 1. 816 1. 00 11 .14

A

ATOM 472 CA LYS A 66 38 .677 23 .137 1. 421 1. 00 12 .80

A

ATOM 473 CB LYS A 66 38 .285 21 .889 2. 211 1. 00 13 .62

A

ATOM 474 CG LYS A 66 39 .336 20 .791 2. 155 1. 00 16 .73

A

ATOM 475 CD LYS A 66 38 .877 19 .524 2. 851 1. 00 21 .83

A

ATOM 476 CE LYS A 66 37 .843 18 .792 2. 014 1. 00 23 .72

A

ATOM 477 NZ LYS A 66 37 .503 17 .474 2. 610 1. 00 28 .70

A

ATOM 478 C LYS A 66 37 .599 24 .192 1. 573 1. 00 13 .48

A

ATOM 479 O LYS A 66 36 .461 23 .977 1. 156 1. 00 14 .85

A

ATOM 480 N GLY A 67 37 .952 25 .326 2. 172 1. 00 13 .42

A

ATOM 481 CA GLY A 67 36 .980 26 .390 2. 359 1. 00 13 .59

A

ATOM 482 C GLY A 67 36 .911 27 .321 1. 169 1. 00 12 .55

A 203

ATOM 483 O GLY A 67 37.571 27.090 0.155 1.00 13.29

A

ATOM 484 N ASN A 68 36.101 28.370 1.280 1.00 12.54

A

ATOM 485 CA ASN A 68 35.968 29.335 0.196 1.00 13.55

A

ATOM 486 CB ASN A 68 34.643 30.090 0.308 1.00 16.44

A

ATOM 487 CG ASN A 68 34.328 30.887 -0.940 1.00 21.17

A

ATOM 488 ODl ASN A 68 35.231 31.342 -1.643 1.00 24.93

A

ATOM 489 ND2 ASN A 68 33.040 31.070 -1.220 1.00 24.12

A

ATOM 490 C ASN A 68 37.134 30.311 0.301 1.00 11.74

A

ATOM 491 O ASN A 68 37.074 31.303 1.026 1.00 12.40

A

ATOM 492 N ILE A 69 38.189 30.016 -0.446 1.00 11.17

A

ATOM 493 CA ILE A 69 39.408 30.812 -0.438 1.00 11.08

A

ATOM 494 CB ILE A 69 40.418 30.245 -1.458 1.00 11.79

A

ATOM 495 CG2 ILE A 69 41.659 31.131 -1.540 1.00 13.16

A

ATOM 496 CGl ILE A 69 40.807 28.822 -1.047 1.00 12.78

A

ATOM 497 CDl ILE A 69 41.676 28.108 -2.057 1.00 13.97

A

ATOM 498 C ILE A 69 39.203 32.294 -0.720 1.00 11.15

A

ATOM 499 O ILE A 69 39.618 33.146 0.070 1.00 11.52

A

ATOM 500 N SER A 70 38.566 32.599 -1.845 1.00 11.65

A

ATOM 501 CA SER A 70 38.356 33.985 -2.238 1.00 12.87

A

ATOM 502 CB SER A 70 37.817 34.043 -3.672 1.00 15.04

A

ATOM 503 OG SER A 70 36.585 33.358 -3.781 1.00 20.09

A

ATOM 504 C SER A 70 37.462 34.782 -1.295 1.00 14.37

A

ATOM 505 O SER A 70 37.394 36.013 -1.382 1.00 14.64

A

ATOM 506 N GLU A 71 36.781 34.084 -0.391 1.00 13.71

A

ATOM 507 CA GLU A 71 35.918 34.732 0.586 1.00 14.06

A

ATOM 508 CB GLU A 71 34.603 33.972 0.698 1.00 19.45

A

ATOM 509 CG GLU A 71 33.846 34.000 -0.615 1.00 27.28

A

ATOM 510 CD GLU A 71 32.359 34.004 -0.421 1.00 31.02

A 204

ATOM 511 OEl GLU A 71 31. 640 34. 171 _ 1 .428 1. 00 34 .58

A

ATOM 512 OE2 GLU A 71 31. 915 33. 843 0 .735 1. 00 35 .14

A

ATOM 513 C GLU A 71 36. 602 34. 850 1 .936 1. 00 14 .15

A

ATOM 514 O GLU A 71 35. 985 35. 251 2 .927 1. 00 13 .99

A

ATOM 515 N GLY A 72 37. 884 34. 493 1 .968 1. 00 11 .38

A

ATOM 516 CA GLY A 72 38. 636 34. 632 3 .201 1. 00 11 .69

A

ATOM 517 C GLY A 72 38. 927 33. 390 4 .016 1. 00 10 .23

A

ATOM 518 O GLY A 72 39. 689 33. 467 4 .978 1. 00 11 .32

A

ATOM 519 N ASN A 73 38. 333 32. 254 3 .666 1. 00 10 .22

A

ATOM 520 CA ASN A 73 38. 595 31. 048 4 .438 1. 00 10 .55

A

ATOM 521 CB ASN A 73 37. 359 30. 155 4 .520 1. 00 10 .53

A

ATOM 522 CG ASN A 73 37. 586 28. 954 5 .416 1. 00 11 .20

A

ATOM 523 ODl ASN A 73 38. 666 28. 795 5 .982 1. 00 11 .35

A

ATOM 524 ND2 ASN A 73 36. 574 28. 107 5 .554 1. 00 13 .02

A

ATOM 525 C ASN A 73 39. 749 30. 267 3 .845 1. 00 10 .16

A

ATOM 526 O ASN A 73 39. 585 29. 506 2 .886 1. 00 10 .57

A

ATOM 527 N VAL A 74 40. 928 30. 473 4 .422 1. 00 9 .41

A

ATOM 528 CA VAL A 74 42. 125 29. 798 3 .961 1. 00 9 .88

A

ATOM 529 CB VAL A 74 43. 221 30. 826 3 .593 1. 00 9 .63

A

ATOM 530 CGl VAL A 74 42. 804 31. 565 2 .328 1. 00 11 .74

A

ATOM 531 CG2 VAL A 74 43. 434 31. 832 4 .720 1. 00 10 .80

A

ATOM 532 C VAL A 74 42. 625 28. 785 4 .990 1. 00 9 .75

A

ATOM 533 O VAL A 74 43. 826 28. 542 5 .121 1. 00 9 .70

A

ATOM 534 N SER A 75 41. 675 28. 192 5 .708 1. 00 9 .88

A

ATOM 535 CA SER A 75 41. 973 27. 177 6 .717 1. 00 9 .35

A

ATOM 536 CB SER A 75 40. 689 26. 729 7 .414 1. 00 10 .24

A

ATOM 537 OG SER A 75 40. 041 27. 826 8 .032 1. 00 10 .35

A

ATOM 538 C SER A 75 42. 608 25. 971 6 .041 1. 00 9 .53

A 205

ATOM 539 O SER A 75 42 .222 25. 597 4 .932 1. 00 9 .57

A

ATOM 540 N LEU A 76 43 .584 25. 375 6 .714 1. 00 10 .46

A

ATOM 541 CA LEU A 76 44 .282 24. 212 6 .187 1. 00 9 .99

A

ATOM 542 CB LEU A 76 45 .768 24. 268 6 .556 1. 00 9 .08

A

ATOM 543 CG LEU A 76 46 .598 23. 006 6 .269 1. 00 9 .82

A

ATOM 544 CDl LEU A 76 46 .719 22. 806 4 .767 1. 00 10 .91

A

ATOM 545 CD2 LEU A 76 47 .971 23. 147 6 .899 1. 00 12 .01

A

ATOM 546 C LEU A 76 43 .721 22. 909 6 .715 1. 00 10 .47

A

ATOM 547 O LEU A 76 43 .549 22. 739 7 .923 1. 00 11 .89

A

ATOM 548 N THR A 77 43 .420 21. 994 5 .806 1. 00 11 .03

A

ATOM 549 CA THR A 77 42 .965 20. 679 6 .212 1. 00 11 .55

A

ATOM 550 CB THR A 77 41 .688 20. 240 5 .479 1. 00 11 .49

A

ATOM 551 OGl THR A 77 40 .604 21. 093 5 .851 1. 00 13 .09

A

ATOM 552 CG2 THR A 77 41 .344 18. 797 5 .847 1. 00 13 .99

A

ATOM 553 C THR A 77 44 .086 19. 716 5 .839 1. 00 11 .55

A

ATOM 554 O THR A 77 44 .517 19. 674 4 .689 1. 00 13 .01

A

ATOM 555 N ILE A 78 44 .597 18. 986 6 .823 1. 00 11 .12

A

ATOM 556 CA ILE A 78 45 .632 17. 996 6 .551 1. 00 10 .36

A

ATOM 557 CB ILE A 78 46 .677 17. 942 7 .677 1. 00 10 .90

A

ATOM 558 CG2 ILE A 78 47 .712 16. 861 7 .369 1. 00 11 .82

A

ATOM 559 CGl ILE A 78 47 .364 19. 305 7 .812 1. 00 11 .64

A

ATOM 560 CDl ILE A 78 48 .331 19. 396 8 .988 1. 00 17 .10

A

ATOM 561 C ILE A 78 44 .886 16. 668 6 .478 1. 00 11 .36

A ATOM 562 O ILE A 78 44 .287 16. 228 7 .461 1. 00 12 .10

A

ATOM 563 N GLU A 79 44 .897 16. 049 5 .302 1. 00 11 .01

A

ATOM 564 CA GLU A 79 44 .204 14. 111 5 .103 1. 00 11 .92

A

ATOM 565 CB GLU A 79 43 .886 14. 595 3 .614 1. 00 12 .26

A

ATOM 566 CG GLU A 79 43 .104 15. 753 2 .977 1. 00 17 .31

A 206

ATOM 567 CD GLU A 79 41.637 15 .801 3 .377 1.00 21 .54

A

ATOM 568 OEl GLU A 79 41.191 14 .943 4 .166 1.00 23 .01

A

ATOM 569 OE2 GLU A 79 40.925 16 .707 2 .889 1.00 23 .43

A

ATOM 570 C GLU A 79 45.023 13 .584 5 .599 1 .00 11 .42

A

ATOM 571 O GLU A 79 46.250 13 .630 5 .610 1.00 11 .95

A

ATOM 572 N ASN A 80 44.330 12 .522 6 .007 1.00 11 .49

A

ATOM 573 CA ASN A 80 44.967 11 .291 6 .475 1.00 11 .78

A

ATOM 574 CB ASN A 80 45.427 10 .460 5 .270 1.00 12 .30

A

ATOM 575 CG ASN A 80 45.718 9 .022 5 .639 1.00 13 .34

A

ATOM 576 ODl ASN A 80 45.024 8 .445 6 .472 1.00 15 .84

A

ATOM 577 ND2 ASN A 80 46.731 8 .426 5 .006 1.00 12 .44

A

ATOM 578 C ASN A 80 46.147 11 .550 7 .407 1.00 11 .96

A

ATOM 579 O ASN A 80 47.273 11 .114 7 .145 1.00 11 .16

A

ATOM 580 N THR A 81 45.882 12 .236 8 .514 1.00 12 .62

A

ATOM 581 CA THR A 81 46.944 12 .564 9 .454 1.00 12 .67

A

ATOM 582 CB THR A 81 46.444 13 .464 10 .603 1.00 14 .66

A

ATOM 583 OGl THR A 81 45.510 12 .738 11 .415 1.00 15 .76

A

ATOM 584 CG2 THR A 81 45.778 14 .712 10 .050 1.00 14 .96

A

ATOM 585 C THR A 81 47.616 11 .360 10 .095 1.00 12 .36

A

ATOM 586 O THR A 81 47.035 10 .281 10 .205 1.00 13 .00

A

ATOM 587 N VAL A 82 48.864 11 .564 10 .492 1.00 12 .04

A

ATOM 588 CA VAL A 82 49.639 10 .547 11 .184 1.00 12 .65

A

ATOM 589 CB VAL A 82 50.789 9 .980 10 .317 1.00 13 .20

A

ATOM 590 CGl VAL A 82 50.219 9 .043 9 .272 1.00 14 .70

A

ATOM 591 CG2 VAL A 82 51.571 11 .107 9 .657 1.00 14 .18

A

ATOM 592 C VAL A 82 50.224 11 .263 12 .391 1.00 12 .90

A

ATOM 593 O VAL A 82 50.282 12 .497 12 .416 1.00 12 .48

A

ATOM 594 N VAL A 83 50.651 10 .507 13 .394 1.00 13 .74

A 207

ATOM 595 CA VAL A 83 51 .218 11 .130 14 .578 1 .00 14 .42

A

ATOM 596 CB VAL A 83 51 .656 10 .064 15 .613 1 .00 14 .92

A

ATOM 597 CGl VAL A 83 50 .424 9 .376 16 .178 1 .00 16 .07

A

ATOM 598 CG2 VAL A 83 52 .582 9 .039 14 .970 1 .00 16 .75

A

ATOM 599 C VAL A 83 52 .394 12 .028 14 .206 1 .00 13 .73

A

ATOM 600 O VAL A 83 52 .656 13 .028 14 .875 1 .00 15 .38

A

ATOM 601 N GLY A 84 53 .075 11 .684 13 .114 1 .00 13 .00

A

ATOM 602 CA GLY A 84 54 .212 12 .461 12 .653 1 .00 12 .99

A

ATOM 603 C GLY A 84 53 .874 13 .839 12 .107 1 .00 13 .33

A

ATOM 604 O GLY A 84 54 .776 14 .621 11 .814 1 .00 15 .08

A

ATOM 605 N ASP A 85 52 .584 14 .134 11 .948 1 .00 12 .42

A

ATOM 606 CA ASP A 85 52 .174 15 .452 11 .460 1 .00 11 .97

A

ATOM 607 CB ASP A 85 50 .774 15 .412 10 .842 1 .00 12 .24

A

ATOM 608 CG ASP A 85 50 .748 14 .757 9 .486 1 .00 12 .70

A

ATOM 609 ODl ASP A 85 51 .682 14 .985 8 .688 1 .00 15 .20

A

ATOM 610 OD2 ASP A 85 49 .770 14 .032 9 .207 1 .00 12 .76

A

ATOM 611 C ASP A 85 52 .158 16 .439 12 .622 1 .00 14 .08

A

ATOM 612 O ASP A 85 51 .976 17 .637 12 .423 1 .00 14 .48

A

ATOM 613 N GLY A 86 52 .329 15 .938 13 .839 1 .00 14 .09

A

ATOM 614 CA GLY A 86 52 .324 16 .830 14 .984 1 .00 13 .88

A

ATOM 615 C GLY A 86 53 .443 17 .846 14 .882 1 .00 12 .99

A

ATOM 616 O GLY A 86 54 .478 17 .592 14 .266 1 .00 15 .32

A

ATOM 617 N GLY A 87 53 .241 19 .011 15 .483 1 .00 12 .87

A

ATOM 618 CA GLY A 87 54 .266 20 .031 15 .432 1 .00 13 .94

A

ATOM 619 C GLY A 87 53 .678 21 .395 15 .157 1 .00 12 .82

A

ATOM 620 O GLY A 87 52 .458 21 .540 15 .054 1 .00 14 .29

A

ATOM 621 N PRO A 88 54 .528 22 .419 15 .039 1 .00 13 .16

A

ATOM 622 CD PRO A 88 55 .965 22 .387 15 .372 1 .00 14 .01

A 208

ATOM 623 CA PRO A 88 54 .082 23 .789 14 .777 1. 00 13 .02

A

ATOM 624 CB PRO A 88 55 .254 24 .627 15 .281 1. 00 14 .85

A

ATOM 625 CG PRO A 88 56 .434 23 .763 14 .945 1. 00 14 .02

A

ATOM 626 C PRO A 88 53 .748 24 .090 13 .323 1. 00 12 .17

A

ATOM 627 O PRO A 88 54 .425 23 .628 12 .406 1. 00 13 .53

A

ATOM 628 N TYR A 89 52 .682 24 .863 13 .128 1. 00 11 .36

A

ATOM 629 CA TYR A 89 52 .256 25 .287 11 .800 1. 00 10 .71

A

ATOM 630 CB TYR A 89 50 .966 24 .591 11 .366 1. 00 10 .21

A

ATOM 631 CG TYR A 89 51 .140 23 .130 11 .059 1. 00 9 .64

A

ATOM 632 CDl TYR A 89 51 .287 22 .201 12 .085 1. 00 12 .51

A

ATOM 633 CEl TYR A 89 51 .459 20 .851 11 .804 1. 00 11 .15

A

ATOM 634 CD2 TYR A 89 51 .168 22 .675 9 .740 1. 00 11 .64

A

ATOM 635 CE2 TYR A 89 51 .339 21 .320 9 .448 1. 00 11 .82

A

ATOM 636 CZ TYR A 89 51 .486 20 .422 10 .489 1. 00 13 .81

A

ATOM 637 OH TYR A 89 51 .679 19 .089 10 .221 1. 00 14 .16

A

ATOM 638 C TYR A 89 52 .005 26 .780 11 .863 1. 00 12 .03

A

ATOM 639 O TYR A 89 51 .608 27 .299 12 .907 1. 00 13 .18

A

ATOM 640 N CYS A 90 52 .236 27 .460 10 .746 1. 00 11 .31

A

ATOM 641 CA CYS A 90 52 .032 28 .899 10 .672 1. 00 12 .22

A

ATOM 642 C CYS A 90 51 .228 29 .290 9 .443 1. 00 11 .46

A

ATOM 643 O CYS A 90 51 .481 28 .808 8 .335 1. 00 11 .00

A

ATOM 644 CB CYS A 90 53 .381 29 .641 10 .631 1. 00 13 .56

A

ATOM 645 SG CYS A 90 53 .165 31 .435 10 .343 1. 00 18 .18

A

ATOM 646 N CYS A 91 50 .239 30 .149 9 .661 1. 00 10 .47

A

ATOM 647 CA CYS A 91 49 .440 30 .693 8 .573 1. 00 11 .59

A

ATOM 648 C CYS A 91 49 .814 32 .168 8 .432 1. 00 11 .31

A

ATOM 649 O CYS A 91 49 .927 32 .874 9 .432 1. 00 11 .08

A

ATOM 650 CB CYS A 91 47 .945 30 .611 8 .874 1. 00 14 .79

A 209

ATOM 651 SG CYS A 91 46.930 31.332 7.537 1.00 17.81

A

ATOM 652 N VAL A 92 50.033 32.621 7.203 1.00 9.70

A

ATOM 653 CA VAL A 92 50.340 34.027 6.956 1.00 11.16

A

ATOM 654 CB VAL A 92 51.798 34.252 I .503 1.00 12.00

A

ATOM 655 CGl VAL A 92 52.052 35.750 6.346 1.00 13.70

A

ATOM 656 CG2 VAL A 92 52.765 33.649 7.501 1.00 13.27

A

ATOM 657 C VAL A 92 49.445 34.524 5.827 1.00 10.44

A

ATOM 658 O VAL A 92 49.471 33.977 4.725 1.00 10.54

A

ATOM 659 N VAL A 93 48.627 35.536 I .102 1.00 10.49

A

ATOM 660 CA VAL A 93 47.791 36.109 5.051 1.00 10.48

A

ATOM 661 CB VAL A 93 46.339 36.340 5.513 1.00 10.38

A

ATOM 662 CGl VAL A 93 45.496 36.814 4.326 1.00 11.00

A

ATOM 663 CG2 VAL A 93 45.761 35.041 6.079 1.00 10.71

A

ATOM 664 C VAL A 93 48.468 37.434 4.735 1.00 10.10

A

ATOM 665 O VAL A 93 48.562 38.311 5.595 1.00 10.66

A

ATOM 666 N GLU A 94 48.957 37.559 3.505 1.00 10.85

A

ATOM 667 CA GLU A 94 49.691 38.751 3.084 1.00 11.94

A

ATOM 668 CB GLU A 94 50.599 38.401 1.903 1.00 13.48

A

ATOM 669 CG GLU A 94 51.537 37.243 2.197 1.00 18.69

A

ATOM 670 CD GLU A 94 52.607 37.067 1.139 1.00 22.39

A

ATOM 671 OEl GLU A 94 52.263 37.018 -0.062 1.00 26.09

A

ATOM 672 OE2 GLU A 94 53.792 36.972 1.514 1.00 27.07

A

ATOM 673 C GLU A 94 48.827 39.956 2.746 1.00 11.07

A

ATOM 674 O GLU A 94 48.798 40.430 1.606 1.00 11.61

A

ATOM 675 N ILE A 95 48.119 40.445 3.757 1.00 10.58

A

ATOM 676 CA ILE A 95 47.259 41.611 3.620 1.00 10.28

A

ATOM 677 CB ILE A 95 46.285 41.696 4.812 1.00 9.90

A

ATOM 678 CG2 ILE A 95 45.429 42.943 4.704 1.00 10.10

A 210

ATOM 679 CGl ILE A 95 45 .398 40 .450 4 .844 1 .00 11 .28

A

ATOM 680 CDl ILE A 95 44 .668 40 .261 6 .162 1 .00 11 .83

A

ATOM 681 C ILE A 95 48 .204 42 .812 3 .642 1 .00 12 .05

A

ATOM 682 O ILE A 95 48 .829 43 .090 4 .662 1 .00 11 .83

A

ATOM 683 N PRO A 96 48 .323 43 .541 2 .520 1 .00 12 .16

A

ATOM 684 CD PRO A 96 47 .598 43 .424 1 .243 1 .00 13 .10

A

ATOM 685 CA PRO A 96 49 .230 44 .694 2 .499 1 .00 12 .49

A

ATOM 686 CB PRO A 96 48 .894 45 .378 1 .176 1 .00 12 .56

A

ATOM 687 CG PRO A 96 48 .473 44 .240 0 .310 1 .00 12 .84

A

ATOM 688 C PRO A 96 49 .102 45 .644 3 .684 1 .00 13 .53

A

ATOM 689 O PRO A 96 48 .025 46 .176 3 .954 1 .00 13 .48 r-

A

ATOM 690 N GLY A 97 50 .214 45 .846 4 .387 1 .00 14 .55

A

ATOM 691 CA GLY A 97 50 .225 46 .746 5 .525 1 .00 15 .97

A

ATOM 692 C GLY A 97 49 .643 46 .195 6 .809 1 .00 16 .10

A

ATOM 693 O GLY A 97 49. .663 46 .871 .836 1 .00 18 .06

A

ATOM 694 N ALA A 98 49. .130 44 .969 6 .769 1 .00 14 .59

A

ATOM 695 CA ALA A 98 48. ,535 44 .378 7 .962 1 .00 11 .85

A

ATOM 696 CB ALA A 98 47. ,133 44 .959 8 .186 1 .00 13 .82

A

ATOM 697 C ALA A 98 48. 468 42 .860 7 .874 1 .00 10 .94

A

ATOM 698 O ALA A 98 47. 390 42 .268 7 .961 1 .00 11 .97

A

ATOM 699 N PHE A 99 49. 625 42 .230 7 .705 1 .00 11 .24

A

ATOM 700 CA PHE A 99 49. 675 40 .771 7 .611 1 .00 9 .89

A

ATOM 701 CB PHE A 99 51. 129 40 .282 7 .528 1 .00 11 .05

A

ATOM 702 CG PHE A 99 51. 740 40 .368 6 .145 1 .00 11 .58

A

ATOM 703 CDl PHE A 99 51. 367 41 .366 5 .250 1 .00 12 .87

A

ATOM 704 CD2 PHE A 99 52. 731 39 .468 5 .762 1 .00 13 .73

A

ATOM 705 CEl PHE A 99 51. 973 41 .468 3 .994 1 .00 14 .02

A

ATOM 706 CE2 PHE A 99 53. 345 39, .559 4 .512 1. .00 14 .85

A 211

ATOM 707 CZ PHE A 99 52 .966 40 .562 3 .625 1 .00 15 .61

A

ATOM 708 C PHE A 99 49 .009 40 .107 8 .813 1 .00 11 .01

A

ATOM 709 O PHE A 99 49 .134 40 .570 9 .949 1 .00 12 .19

A

ATOM 710 N HIS A 100 48 .291 39 .019 8 .552 1 .00 10 .62

A

ATOM 711 CA HIS A 100 47 .641 38 .253 9 .615 1 .00 9 .73

A

ATOM 712 CB HIS A 100 46 .191 37 .923 9 .226 1 .00 10 .62

A

ATOM 713 CG HIS A 100 45 .531 36 .902 10 .108 1 .00 8 .51

A

ATOM 714 CD2 HIS A 100 44 .751 35 .835 9 .803 1 .00 9 .68

A

ATOM 715 NDl HIS A 100 45 .607 36 .935 11 .486 1 .00 9 .67

A

ATOM 716 CEl HIS A 100 44 .905 35 .935 11 .989 1 .00 11 .03

A

ATOM 717 NE2 HIS A 100 44 .375 35 .253 10 .989 1 .00 9 .66

A

ATOM 718 C HIS A 100 48 .459 36 .978 9 .805 1 .00 10 .33

A

ATOM 719 O HIS A 100 48 .817 36 .310 8 .833 1 .00 10 .68

A

ATOM 720 N PHE A 101 48 .763 36 .662 11 .059 1 .00 9 .25

A

ATOM 721 CA PHE A 101 49 .547 35. ,479 11 .398 1 .00 10. .10

A

ATOM 722 CB PHE A 101 50 .865 35. .882 12 .073 1 .00 11. , 04

A

ATOM 723 CG PHE A 101 51 .797 36. 657 11 .198 1 .00 12. .09

A

ATOM 724 CDl PHE A 101 52 .702 36. 001 10 .375 1 .00 14. 16

A

ATOM 725 CD2 PHE A 101 51 .785 38. 047 11 .214 1 .00 13. 11

A

ATOM 726 CEl PHE A 101 53 .588 36. 722 9 .580 1 .00 14. 27

A

ATOM 727 CE2 PHE A 101 52 .666 38. 775 10 .423 1 .00 13. 77

A

ATOM 728 CZ PHE A 101 53 .568 38. 115 9 .607 1 .00 13. 44

A

ATOM 729 C PHE A 101 48 .792 34. 615 12 .391 1 .00 10. 79

A

ATOM 730 O PHE A 101 48 .084 35. 130 13 .251 1 .00 10. 86

A

ATOM 731 N VAL A 102 48 .934 33. 299 12 .262 1 .00 10. 97

A

ATOM 732 CA VAL A 102 48 .323 32. 388 13 .220 1 .00 11. 10

A

ATOM 733 CB VAL A 102 46 .999 31. 761 12 .730 1 .00 11. 50

A

ATOM 734 CGl VAL A 102 46 .383 30. 955 13 .869 1. .00 12. 87

A 212

ATOM 735 CG2 VAL A 102 46. .027 32. .841 12 .280 1. 00 13. .06

A

ATOM 736 C VAL A 102 49. .307 31. 254 13 .482 1. 00 11. 63

A

ATOM 737 O VAL A 102 49. ,830 30. 652 12 .547 1. 00 12. 18

A

ATOM 738 N ASP A 103 49. 572 30. 998 14 .760 1. 00 10. 85

A

ATOM 739 CA ASP A 103 50. 474 29. 931 15 .182 1. 00 14. 13

A

ATOM 740 CB ASP A 103 51. 429 30. 430 16 .273 1. 00 15. 61

A

ATOM 741 CG ASP A 103 52. 704 31. 011 15 .716 1. 00 17. 42

A

ATOM 742 ODl ASP A 103 53. 461 30. 264 15 .065 1. 00 17. 69

A

ATOM 743 OD2 ASP A 103 52. 956 32. 213 15 .937 1. 00 19. 85

A

ATOM 744 C ASP A 103 49. 658 28. 784 15 .761 1. 00 13. 23

A

ATOM 745 O ASP A 103 48. 770 28. 998 16 .590 1. 00 16. 01

A

ATOM 746 N TYR A 104 49. 954 27. 570 15 .317 1. 00 13. 12

A

ATOM 747 CA TYR A 104 49. 277 26. 386 15 .820 1. 00 13. 45

A

ATOM 748 CB TYR A 104 48. 400 25. 750 14 .741 1. 00 12. 74

A

ATOM 749 CG TYR A 104 47. 099 26. 453 14 .495 1. 00 14. 11

A

ATOM 750 CDl TYR A 104 46. 111 26. 479 15 .473 1. 00 15. 86

A

ATOM 751 CEl TYR A 104 44. 901 27. 124 15 .252 1. 00 16. 42

A

ATOM 752 CD2 TYR A 104 46. 849 27. 092 13 .280 1. 00 15. 86

A

ATOM 753 CE2 TYR A 104 45. 640 27. 741 13 .047 1. 00 14. 36

A

ATOM 754 CZ TYR A 104 44. 675 27. 752 14 .037 1. 00 15. 08

A

ATOM 755 OH TYR A 104 43. 489 28. 400 13 .826 1. 00 16. 30

A

ATOM 756 C TYR A 104 50. 288 25. 345 16 .247 1. 00 13. 01

A

ATOM 757 O TYR A 104 51. 363 25. 239 15 .663 1. 00 13. 99

A

ATOM 758 N MET A 105 49. 937 24. 591 17 .279 1. 00 16. 52

A

ATOM 759 CA MET A 105 50. 770 23. 485 17 .733 1. 00 17. 65

A

ATOM 760 CB MET A 105 51. 188 23. 651 19 .195 1. 00 20. 82

A

ATOM 761 CG MET A 105 52. 138 22. 558 19 .692 1. 00 26. 04

A

ATOM 762 SD MET A 105 53. 641 22. 382 18 .685 1. 00 34. 03

A 213

ATOM 763 CE MET A 105 54.395 23.982 18.930 1.00 31.53

A

ATOM 764 C MET A 105 49.825 22.304 17.582 1.00 18.14

A

ATOM 765 O MET A 105 48.864 22.165 18.338 1.00 20.02

A

ATOM 766 N LEU A 106 50.073 21.473 16.576 1.00 16.13

A

ATOM 767 CA LEU A 106 49.218 20.327 16.328 1.00 15.53

A

ATOM 768 CB LEU A 106 49.113 20.057 14.820 1.00 13.93

A

ATOM 769 CG LEU A 106 48.352 18.785 14.409 1.00 13.16

A

ATOM 770 CDl LEU A 106 46.877 18.914 14.766 1.00 14.09

A

ATOM 771 CD2 LEU A 106 48.503 18.562 12.908 1.00 13.03

A

ATOM 772 C LEU A 106 49.709 19.073 17.025 1.00 15.88

A

ATOM 773 O LEU A 106 50.899 18.767 17.020 1.00 16.20

A

ATOM 774 N GLU A 107 48.773 18.368 17.644 1.00 17.36

A

ATOM 775 CA GLU A 107 49.071 17.117 18.319 1.00 19.33

A

ATOM 776 CB GLU A 107 48.868 17.247 19.831 1.00 21.96

A

ATOM 111 CG GLU A 107 48.963 15.916 20.570 1.00 29.61

A

ATOM 778 CD GLU A 107 48.816 16.065 22.071 1.00 31.99

A

ATOM 779 OEl GLU A 107 47.828 16.690 22.515 1.00 35.80

A

ATOM 780 OE2 GLU A 107 49.685 15.550 22.807 1.00 35.91

A

ATOM 781 C GLU A 107 48.130 16.059 17.769 1.00 18.68

A

ATOM 782 O GLU A 107 46.919 16.125 17.972 1.00 18.88

A

ATOM 783 N VAL A 108 48.685 15.092 17.051 1.00 17.82

A

ATOM 784 CA VAL A 108 47.872 14.023 16.497 1.00 17.84

A

ATOM 785 CB VAL A 108 48.287 13.692 15.047 1.00 16.81

A

ATOM 786 CGl VAL A 108 47.463 12.529 14.523 1.00 16.79

A

ATOM 787 CG2 VAL A 108 48.105 14.920 14.161 1.00 18.72

A

ATOM 788 C VAL A 108 48.064 12.793 17.378 1.00 18.11

A

ATOM 789 O VAL A 108 49.187 12.329 17.570 1.00 18.77

A

ATOM 790 N LYS A 109 46.965 12.292 17.932 1.00 19.31

A 214

ATOM 791 CA LYS A 109 47 .006 11, , 117 18 .800 1. ,00 21. , 74

A

ATOM 792 CB LYS A 109 45 .816 11. , 125 19 .761 1. 00 23. ,66

A

ATOM 793 CG LYS A 109 45 .780 12. ,308 20 .696 1. 00 28. 52

A

ATOM 794 CD LYS A 109 46 .987 12. 318 21 .611 1. 00 31. 80

A

ATOM 795 CE LYS A 109 46 .878 13. 460 22 .599 1. 00 34. 32

A

ATOM 796 NZ LYS A 109 48 .010 13. 469 23 .557 1. 00 36. 39

A

ATOM 797 C LYS A 109 46 .950 9. 848 17 .972 1. 00 21. 32

A

ATOM 798 O LYS A 109 46 .253 9. 793 16 .959 1. 00 19. 88

A

ATOM 799 N PRO A 110 47 .674 8. 802 18 .400 1. 00 22. 77

A

ATOM 800 CD PRO A 110 48 .578 8. 759 19 .558 1. 00 23. 02

A

ATOM 801 CA PRO A 110 47 .697 7. 527 17 .679 1. 00 24. 87

A

ATOM 802 CB PRO A 110 48 .727 6. 704 18 .459 1. 00 24. 12

A

ATOM 803 CG PRO A 110 49. .596 7. 756 19 .112 1. 00 25. 43

A

ATOM 804 C PRO A 110 46, .325 6. 860 17, .626 1. 00 27. 18

A

ATOM 805 O PRO A 110 45. ,910 6. 346 16. ,586 1. 00 26. 84

A

ATOM 806 N GLU A 111 45. 623 6. 857 18. , 752 1. 00 30. 95

A

ATOM 807 CA GLU A 111 44. 287 6. 281 18. ,811 1. 00 34. 81

A

ATOM 808 CB GLU A 111 44. 317 4. 874 19. ,436 1. 00 36. 23

A

ATOM 809 CG GLU A 111 44. 743 4. 780 20. 902 1. 00 38. 10

A

ATOM 810 CD GLU A 111 44. 789 3. 338 21. 388 1. 00 39. 27

A

ATOM 811 OEl GLU A 111 44. 266 2. 477 20. 656 1. 00 40. 79

A

ATOM 812 OE2 GLU A 111 45. 330 3. 066 22. 487 1. 00 40. 39

A

ATOM 813 C GLU A 111 43. 356 7. 186 19. 613 1. 00 37. 32

A

ATOM 814 O GLU A 111 43. 799 8. 111 20. 316 1. 00 36. 37

A

ATOM 815 N LEU A 112 42. 074 6. 829 19. 513 1. 00 39. 61

A

ATOM 816 CA LEU A 112 40. 911 7. 469 20. 139 1. 00 42. 42

A

ATOM 817 CB LEU A 112 41. 320 8. 561 21. 143 1. 00 43. 87

A

ATOM 818 CG LEU A 112 42. 159 8. 377 22. 425 1. 00 43. 78

A 215

ATOM 819 CDl LEU A 112 41. ,654 9. 346 23 .483 1 .00 44 .52

A

ATOM 820 CD2 LEU A 112 42. 103 6. 955 22 .967 1 .00 44 .24

A

ATOM 821 C LEU A 112 39. 939 8. 050 19 .117 1 .00 43 .87

A

ATOM 822 O LEU A 112 38. 849 7. 510 18 .928 1 .00 44 .58

A

ATOM 823 CB MET B 1 28. 012 46. 596 0 .612 1 .00 67 .68

B

ATOM 824 CG MET B 1 27. 477 47. 917 0 .041 1 .00 68 .16

D

ATOM 825 SD MET B 1 26. 316 47. 746 -1 .345 1 .00 69 .01

ATOM 826 CE MET B 1 27. 218 48. 587 -2 .665 1 .00 68 .75

B

ATOM 827 C MET B 1 29. 341 45. 487 2 .466 1 .00 67 .05 π £5

ATOM 828 O MET B 1 29. 000 45. 439 3 .640 1 .00 67 .30

B

ATOM 829 N MET B 1 30. 338 47. 330 1 .038 1 .00 67 .44

B

ATOM 830 CA MET B 1 29. 107 46. 786 1 .673 1 .00 67 .34

B

ATOM 831 N GLU B 2 29. 925 44. 451 1 .850 1 .00 66 .40

B

ATOM 832 CA GLU B 2 30. 170 43. 172 2 .543 1 .00 65 .50 n ATOM 833 CB GLU B 2 28. 842 42. 576 3 .058 1 .00 65 .90

B

ATOM 834 CG GLU B 2 27. 594 43. 345 2 .662 1 .00 66 .32

B

ATOM 835 CD GLU B 2 27. 385 43. 402 1 .165 1 .00 66 .86

B

ATOM 836 OEl GLU B 2 28. 383 43. 393 0 .419 1 .00 67 .11

B

ATOM 837 OE2 GLU B 2 26. 217 43. 473 0 .732 1 .00 67 .36

B

ATOM 838 C GLU B 2 30. 913 42. 066 1 .781 1 .00 64 .47

B

ATOM 839 O GLU B 2 31. 467 42. 286 0 .700 1 .00 64 .69

B

ATOM 840 N SER B 3 30. 906 40. 884 2 .407 1 .00 63 .01

B

ATOM 841 CA SER B 3 31. 502 39. 624 1 .930 1 .00 61 .13

B

ATOM 842 CB SER B 3 32. 758 39. 868 1 .087 1 .00 61 .52

" £Q5

ATOM 843 OG SER B 3 33. 872 40. 263 1 .869 1 .00 61 .58

B

ATOM 844 C SER B 3 31. 860 38. 820 3 .182 1 .00 59 .63

B

ATOM 845 O SER B 3 32. 460 39. 363 4 .104 1 .00 59 .86

B

ATOM 846 N HIS B 4 31. 501 37. 536 3 .243 1 .00 57 .33

B 216

ATOM 847 CA HIS B 4 31 .789 36 .750 4 .459 1 , .00 54 .80

B

ATOM 848 CB HIS B 4 30 .583 36 .811 5 .405 1. , 00 55 .61

B

ATOM 849 CG HIS B 4 29 .753 38 .048 5 .256 1. 00 56 .33

B

ATOM 850 CD2 HIS B 4 29 .430 39 .019 6 .143 1. 00 56 .55

B

ATOM 851 NDl HIS B 4 29 .143 38 .394 4 .070 1. 00 56 .69 a

ATOM 852 CEl HIS B 4 28 .482 39 .527 4 .232 1. 00 56 .90

Ω

ATOM 853 NE2 HIS B 4 28 .640 39 .927 5 .481 1. 00 56 .84

ATOM 854 C HIS B 4 32 .175 35 .272 4 .308 1. 00 52 .68

B

ATOM 855 O HIS B 4 32 .401 34 .774 3 .207 1. 00 52 .91

B

ATOM 856 N THR B 5 32 .230 34 .597 5 .459 1. 00 49 .33

B

ATOM 857 CA THR B 5 32 .556 33 .173 5 .583 1. 00 45 .86

B

ATOM 858 CB THR B 5 33 .830 32 .976 6 .443 1. 00 46 .98

B

ATOM 859 OGl THR B 5 34. .929 33 .683 5 .854 1. 00 47 .04 π

ATOM 860 CG2 THR B 5 34. , 177 31 .505 6 .560 1. 00 47 .55 n ATOM 861 C THR B 5 31. ,342 32 .521 6 .284 1. 00 42 .62

B

ATOM 862 O THR B 5 30. 966 32 , .945 7 .379 1. 00 39, .98

B

ATOM 863 N ALA B 6 30. 756 31. .490 5 .660 1. 00 39, .15

ATOM 864 CA ALA B 6 29. 521 30. ,823 6 .133 1. 00 36. ,87

B

ATOM 865 CB ALA B 6 28. 765 30. ,294 4 .908 1. 00 36. 02

B

ATOM 866 C ALA B 6 29. 473 29. 742 7 .233 1. 00 34. 29

ATOM 867 O ALA B 6 29. 372 28. 552 6 .924 1. 00 34. 39

B

ATOM 868 N VAL B 7 29. 478 30. 142 8 .505 1. 00 29. 80

B

ATOM 869 CA VAL B 7 29. 399 29. 170 9 .605 1. 00 26. 92

B

ATOM 870 CB VAL B 7 29. 872 29. 772 10 .951 1. 00 26. 20

R

ATOM 871 CGl VAL B 7 29. 678 28. 759 12 .079 1. 00 26. 40

B

ATOM 872 CG2 VAL B 7 31. 332 30. 152 10 .854 1. 00 27. 06

B

ATOM 873 C VAL B 7 27. 963 28. 672 9 .778 1. 00 25. 47

B

ATOM 874 O VAL B 7 27. 014 29. 449 9 .684 1. 00 23. 77

B 217

ATOM 875 N GLN B 8 27 .814 27 .376 10 .041 1 .00 24 .01

ATOM 876 CA GLN B 8 26 .494 26 .766 10 .195 1 .00 24 .32

O D

ATOM 877 CB GLN B 8 26 .389 25 .530 9 .296 1 .00 27 .07

ATOM 878 CG GLN B 8 26 .838 25 .740 7 .856 1 .00 31 .27 β

ATOM 879 CD GLN B 8 25 .730 26 .244 6 .953 1 .00 33 .53 π JrS ATOM 880 OEl GLN B 8 24 .724 25 .562 6 .746 1 .00 35 .92 ATOM 881 NE2 GLN B 8 25 .910 27 .441 6 .404 1 .00 35 .23 B ATOM 882 C GLN B 8 26 .193 26 .345 11 .631 1 .00 22 .54 B ATOM 883 O GLN B 8 27 .005 25 .678 12 .273 1 .00 22 .48 a ATOM 884 N GLY B 9 25 .017 26 .727 12 .118 1 .00 19 .87 hi

ATOM 885 CA GLY B 9 24 .615 26 .367 13 .462 1 .00 18 .50 rs ATOM 886 C GLY B 9 23 .247 25 .711 13 .461 1 .00 18 .23

ATOM 887 O GLY B 9 22. .523 25 .769 12 .467 1, .00 17 .24 πr>

ATOM 888 N LEU B 10 22. .899 25 .077 14 .576 1, .00 17 .46 B ATOM 889 CA LEU B 10 21. .604 24 .418 14 .717 1 , .00 17 .03 π £3

ATOM 890 CB LEU B 10 21. 795 22. ,915 14. .953 1. 00 16 .91

D

ATOM 891 CG LEU B 10 20. 521 22 , , 072 15. , 058 1. 00 17 .52 B ATOM 892 CDl LEU B 10 19. 750 22. 134 13. 744 1. 00 17 , .23 r>

ATOM 893 CD2 LEU B 10 20. 895 20. 627 15. 384 1. 00 16. .80

ATOM 894 C LEU B 10 20. 888 25. 038 15. 909 1. 00 16. .47

ATOM 895 O LEU B 10 21. 431 25. 067 17. 012 1. 00 17. 81

ATOM 896 N ALA B 11 19. 674 25. 535 15. 690 1. 00 16. 48

ATOM 897 CA ALA B 11 18. 905 26. 167 16. 760 1. 00 17. 67 π £3

ATOM 898 CB ALA B 11 17. 510 26. 516 16. 264 1. 00 18. 14

"R

ATOM 899 C ALA B 11 18. 814 25. 294 18. 006 1. 00 18. 58

O £5

ATOM 900 O ALA B 11 18. 540 24. 096 17. 924 1. 00 20. 27 B ATOM 901 N GLY B 12 19. 045 25. 911 19. 160 1. 00 18. 13 B ATOM 902 CA GLY B 12 18. 993 25. 192 20. 421 1. 00 19. 47 B 218

ATOM 903 C GLY B 12 20. 339 24 .623 20 .814 1. 00 19 .52

B

ATOM 904 O GLY B 12 20. 485 24 .023 21 .880 1. 00 21 .57

B

ATOM 905 N HIS B 13 21. 330 24 .808 19 .950 1. 00 19 .03

B

ATOM 906 CA HIS B 13 22. 667 24 .301 20 .214 1. 00 18 .99

B

ATOM 907 CB HIS B 13 22. 976 23 .147 19 .264 1. 00 19 .91

B

ATOM 908 CG HIS B 13 22. 025 22 .000 19 .398 1. 00 22 .67 hi ATOM 909 CD2 HIS B 13 22. 196 20 .753 19 .899 1. 00 24 .32

B

ATOM 910 NDl HIS B 13 20. 698 22 .091 19 .040 1. 00 23 .77

B

ATOM 911 CEl HIS B 13 20. 091 20 .950 19 .315 1. 00 24 .16

B

ATOM 912 NE2 HIS B 13 20. 977 20 .122 19 .838 1. 00 25 .01

B

ATOM 913 C HIS B 13 23. 702 25 .400 20 .062 1. 00 18 .44

B

ATOM 914 O HIS B 13 23. 443 26 .427 19 .435 1. 00 17 .14

B

ATOM 915 N PRO B 14 24. 889 25 .204 20 .648 1. 00 18 .09

B

ATOM 916 CD PRO B 14 25. 321 24 .104 21 .532 1. 00 17 .69

B

ATOM 917 CA PRO B 14 25. 927 26 .227 20 .538 1. 00 17 .28

ID

ATOM 918 CB PRO B 14 26. 865 25 .880 21 .689 1. 00 17 .89

B

ATOM 919 CG PRO B 14 26. 802 24 .384 21 .708 1. 00 19 .77

B

ATOM 920 C PRO B 14 26. 631 26 .190 19 .188 1. 00 16 .86

B

ATOM 921 O PRO B 14 26. 616 25 .176 18 .488 1. 00 18 .13

B

ATOM 922 N VAL B 15 27. 234 27 .313 18 .821 1. 00 15 .15

B

ATOM 923 CA VAL B 15 27. 981 27 .403 17 .582 1. 00 14 .83

B

ATOM 924 CB VAL B 15 27. 152 28 .080 16 .464 1. 00 14 .96

B

ATOM 925 CGl VAL B 15 26. 857 29 .528 16 .827 1. 00 16 .97

B

ATOM 926 CG2 VAL B 15 27. 901 27 .993 15 .146 1. 00 17 .80

B

ATOM 927 C VAL B 15 29. 222 28 .226 17 .896 1. 00 13 .63

B

ATOM 928 O VAL B 15 29. 166 29 .152 18 .708 1. 00 14 .40

B

ATOM 929 N THR B 16 30. 339 27 .878 17 .274 1. 00 12 .95

B

ATOM 930 CA THR B 16 31. 586 28 .591 17 .511 1. 00 14 .23 219

ATOM 931 CB THR B 16 32 .663 27. 646 18 .092 1 .00 14 .87

B

ATOM 932 OGl THR B 16 32 .227 27. 161 19 .368 1 .00 17 .58

B

ATOM 933 CG2 THR B 16 33 .984 28. 380 18 .271 1 .00 17 .06

B

ATOM 934 C THR B 16 32 .117 29. 229 16 .240 1 .00 14 .91 π

£5

ATOM 935 O THR B 16 32 .150 28. 600 15 .186 1 .00 15 .74

B

ATOM 936 N LEU B 17 32 .512 30. 494 16 .351 1 .00 13 .28

B

ATOM 937 CA LEU B 17 33 .061 31. 242 15 .223 1 .00 13 .22

B

ATOM 938 CB LEU B 17 32 .393 32. 615 15 .114 1 .00 12 .53

B

ATOM 939 CG LEU B 17 30 .864 32. 638 15 .042 1 .00 14 .68

ATOM 940 CDl LEU B 17 30 .389 34. 082 14 .884 1 .00 14 .22

B

ATOM 941 CD2 LEU B 17 30 .386 31. 793 13 .883 1 .00 17 .18

B

ATOM 942 C LEU B 17 34 .546 31. 408 15 .513 1 .00 13 .57

D

ATOM 943 O LEU B 17 34 .935 32. 168 16 .396 1 .00 13 .26

B

ATOM 944 N PRO B 18 35 .399 30. 691 14 .776 1 .00 13 .69

B

ATOM 945 CD PRO B 18 35 .097 29. 690 13 .737 1 .00 15 .92

B

ATOM 946 CA PRO B 18 36 .841 30. 799 15 .014 1 .00 13 .69

B

ATOM 947 CB PRO B 18 37 .423 29. 678 14 .148 1 .00 15 .78

B

ATOM 948 CG PRO B 18 36 .428 29. 538 13 .043 1 .00 19 .37

B

ATOM 949 C PRO B 18 37 .496 32. 146 14 .730 1 .00 13 .66 Ώ

ATOM 950 O PRO B 18 37 .292 32. 749 13 .682 1 .00 14 .79

B

ATOM 951 N CYS B 19 38 .279 32. 617 15 .693 1 .00 11 .33

B

ATOM 952 CA CYS B 19 39 .028 33. 852 15 .533 1 .00 11 .11

B

ATOM 953 C CYS B 19 40 .270 33. 619 16 .358 1 .00 11 .68

B

ATOM 954 O CYS B 19 40 .200 33. 513 17 .583 1 .00 11 .96

B

ATOM 955 CB CYS B 19 38 .268 35. 056 16 .063 1 .00 11 .61

B

ATOM 956 SG CYS B 19 39 .010 36. 597 15 .443 1 .00 13 .86

B

ATOM 957 N ILE B 20 41 .404 33. 545 15 .675 1 .00 11 .61

B

ATOM 958 CA ILE B 20 42 .673 33. 245 16 .318 1 .00 12 .29

B 220

ATOM 959 CB ILE B 20 43. .004 31 .736 16 .102 1. ,00 12 .73

B

ATOM 960 CG2 ILE B 20 44. .260 31 .340 16 .876 1. ,00 13 .87

B

ATOM 961 CGl ILE B 20 41. , 807 30 .880 16 .547 1. ,00 15 .64

B

ATOM 962 CDl ILE B 20 42. 017 29 .386 16 .433 1. 00 18 .43

B

ATOM 963 C ILE B 20 43. 790 34 .105 15 .728 1. 00 12 .50

B

ATOM 964 O ILE B 20 43. 743 34 .479 14 .556 1. 00 12 .75

B

ATOM 965 N TYR B 21 44. 793 34 .431 16 .539 1. 00 11 .39

B

ATOM 966 CA TYR B 21 45. 912 35 .219 16 .044 1. 00 10 .95

B

ATOM 967 CB TYR B 21 45. 625 36 .724 16 .185 1. 00 11 .68

B

ATOM 968 CG TYR B 21 45. 695 37 .254 17 .599 1. 00 9 .84

B

ATOM 969 CDl TYR B 21 46. 808 37 .975 18 .034 1. 00 12 .09

B

ATOM 970 CEl TYR B 21 46. 886 38 .462 19 .332 1. 00 12 .47

B

ATOM 971 CD2 TYR B 21 44. 656 37 .031 18 .502 1. 00 10 .64

B

ATOM 972 CE2 TYR B 21 44. 727 37 .515 19 .809 1. 00 11 .37

B

ATOM 973 CZ TYR B 21 45. 849 38. ,231 20 .213 1. 00 12 .22

B

ATOM 974 OH TYR B 21 45. 940 38. , 709 21 .508 1. 00 12 .96

B

ATOM 975 C TYR B 21 47. 186 34. .836 16 .786 1. 00 11 .81

B

ATOM 976 O TYR B 21 47. 136 34. .301 17 .901 1. 00 12 .25

B

ATOM 977 N SER B 22 48. 324 35. 086 16 .150 1. 00 11 .77

B

ATOM 978 CA SER B 22 49. 620 34. 777 16 .744 1. 00 12 .85

B

ATOM 979 CB SER B 22 50. 688 34. 684 15 .656 1. 00 13 .17

B

ATOM 980 OG SER B 22 51. 987 34. 628 16 .224 1. 00 14 .46

B

ATOM 981 C SER B 22 49. 997 35. 869 17 .729 1. 00 12 .79

B

ATOM 982 O SER B 22 50. 151 37. 028 17 .347 1. 00 13 .63

B

ATOM 983 N THR B 23 50. 129 35. 504 19 .000 1. 00 14 .34

B

ATOM 984 CA THR B 23 50. 501 36. 482 20 .011 1. 00 14 .87

B

ATOM 985 CB THR B 23 50. 133 36. 004 21 .428 1. 00 15 .33

B

ATOM 986 OGl THR B 23 50. 754 34. 735 21 .681 1. 00 17 .69

B 221

ATOM 987 CG2 THR B 23 48 .623 35 .875 21 .567 1. 00 15 .53

B

ATOM 988 C THR B 23 51 .993 36 .773 19 .955 1. 00 17 .66

B

ATOM 989 O THR B 23 52 .442 37 .814 20 .431 1. 00 17 .62

B

ATOM 990 N HIS B 24 52 .769 35 .865 19 .372 1. 00 18 .57

B

ATOM 991 CA HIS B 24 54 .204 36 .103 19 .266 1. 00 20 .20

B

ATOM 992 CB HIS B 24 54 .946 34 .833 18 .845 1. 00 23 .59

B

ATOM 993 CG HIS B 24 54 .995 33 .781 19 .910 1. 00 28 .37

B

ATOM 994 CD2 HIS B 24 55 .100 32 .434 19 .828 1. 00 30 .78

B

ATOM 995 NDl HIS B 24 54 .969 34 .083 21 .254 1. 00 30 .98

B

ATOM 996 CEl HIS B 24 55 .054 32 .966 21 .956 1. 00 31 .38

B

ATOM 997 NE2 HIS B 24 55 .135 31 .952 21 .114 1. 00 32 .03

B

ATOM 998 C HIS B 24 54 .470 37 .211 18 .253 1. 00 20 .89

B

ATOM 999 O HIS B 24 55 .408 37 .990 18 .407 1. 00 22 .59

B

ATOM 1000 N LEU B 25 53 .633 37 .283 17 .222 1. 00 18 .83

B

ATOM 1001 CA LEU B 25 53 .794 38 .302 16. .193 1. 00 18 .99

B

ATOM 1002 CB LEU B 25 53 .391 37 .748 14 , .821 1. 00 19 .96

" DQ

ATOM 1003 CG LEU B 25 54 .461 37 .045 13. .976 1. 00 22 .00

B

ATOM 1004 CDl LEU B 25 55 .464 38 .070 13. .465 1. 00 23 .62

B

ATOM 1005 CD2 LEU B 25 55 .148 35 .976 14. 799 1. 00 22 .43

B

ATOM 1006 C LEU B 25 53 .002 39 .572 16. 464 1. 00 18 .32

B

ATOM 1007 O LEU B 25 53 .435 40 .663 16. 098 1. 00 19 .13

B

ATOM 1008 N GLY B 26 51 .847 39 .445 17. 106 1. 00 17 .24

B

ATOM 1009 CA GLY B 26 51 .048 40 .631 17. 354 1. 00 16 .82

B

ATOM 1010 C GLY B 26 50 .957 41 .062 18. 801 1. 00 17 .29

B

ATOM 1011 O GLY B 26 50 .305 42 .060 19. 107 1. 00 17 .85

R O

ATOM 1012 N GLY B 27 51 .633 40 .332 19. 683 1. 00 15 .77

B

ATOM 1013 CA GLY B 27 51 .571 40 .640 21. 100 1. 00 16 .86

B

ATOM 1014 C GLY B 27 50 .237 40 .147 21. 625 1. 00 16 .93

B 222

ATOM 1015 O GLY B 27 49 .460 39 .564 20 .873 1 .00 17 .74 jrJ ATOM 1016 N ILE B 28 49 .973 40 .349 22 .911 1 .00 16 .68 i-i ATOM 1017 CA ILE B 28 48 .700 39 .938 23 .495 1 .00 16 .68

B ATOM 1018 CB ILE B 28 48 .900 39 .314 24 .887 1 .00 16 .37 π ΪJ

ATOM 1019 CG2 ILE B 28 47 .549 38 .945 25 .487 1 .00 18 .35 π

ATOM 1020 CGl ILE B 28 49 .788 38 .072 24 .762 1 .00 17 .44

ATOM 1021 CDl ILE B 28 50 .182 37 .438 26 .086 1 .00 18 .36

ATOM 1022 C ILE B 28 47 .892 41 .223 23 .586 1 .00 16 .93

JrJ ATOM 1023 O ILE B 28 48 .187 42 .099 24 .400 1 .00 17 .40

ATOM 1024 N VAL B 29 46 .865 41 .332 22 .748 1 .00 15 .03

ATOM 1025 CA VAL B 29 46 .069 42 .554 22 .680 1 .00 13 .39

B ATOM 1026 CB VAL B 29 46 .324 43 .259 21 .324 1 .00 13 .68

ATOM 1027 CGl VAL B 29 47 .823 43 .494 21. .129 1 .00 15 .25

ATOM 1028 CG2 VAL B 29 45, .772 42 .410 20 , .179 1. .00 15 .26 π D

ATOM 1029 C VAL B 29 44. .557 42 .397 22 , , 848 1. , 00 13 , .67 rs ATOM 1030 O VAL B 29 44. ,016 41, .304 22. 720 1. ,00 14 , .33 B ATOM 1031 N PRO B 30 43. ,857 43. .506 23. 126 1. 00 13. , 17 π JrS

ATOM 1032 CD PRO B 30 44. 390 44. ,840 23. 462 1. 00 14. .96 B ATOM 1033 CA PRO B 30 42. 403 43. 467 23. 300 1. 00 12. 85 B ATOM 1034 CB PRO B 30 42. 059 44. 899 23. 715 1. 00 16. 01

JT)

ATOM 1035 CG PRO B 30 43. 319 45. 388 24. 363 1. 00 15. 69 B ATOM 1036 C PRO B 30 41. 717 43. 095 21. 990 1. 00 12. 94

ATOM 1037 O PRO B 30 42. 260 43. 322 20. 901 1. 00 11. 97

ATOM 1038 N MET B 31 40. 530 42. 511 22. 104 1. 00 12. 81 B ATOM 1039 CA MET B 31 39. 746 42. 146 20. 933 1. 00 11. 90

R

ATOM 1040 CB MET B 31 39. 998 40. 684 20. 522 1. 00 12. 52 B ATOM 1041 CG MET B 31 39. 304 39. 601 21. 366 1. 00 13. 18 B ATOM 1042 SD MET B 31 37. 531 39. 347 21. 047 1. 00 12. 49 B 223

ATOM 1043 CE MET B 31 37 .538 39 .014 19 .289 1 , , 00 10 .69

B

ATOM 1044 C MET B 31 38 .287 42 .328 21 .284 1. , 00 13 .02

B

ATOM 1045 O MET B 31 37 .923 42 .418 22 .458 1. 00 13 .43

B

ATOM 1046 N CYS B 32 37 .447 42 .407 20 .265 1. 00 12 .98 a ATOM 1047 CA CYS B 32 36 .029 42 .524 20 .508 1. 00 13 .82

B

ATOM 1048 C CYS B 32 35 .263 41 .795 19 .419 1. 00 13 .50 π

ATOM 1049 O CYS B 32 35 .763 41 .594 18 .303 1. 00 12 .35

B

ATOM 1050 CB CYS B 32 35 .613 44 .000 20 .565 1. 00 17 .48 hi ATOM 1051 SG CYS B 32 35 .831 44 .934 19 .017 1. 00 21 .66 π r> ATOM 1052 N TRP B 33 34 .067 41 .353 19 .779 1. 00 12 .07

B

ATOM 1053 CA TRP B 33 33 .165 40 .690 18 .855 1. 00 12 .21

B

ATOM 1054 CB TRP B 33 32 .654 39 .366 19 .413 1. 00 12 .67

B

ATOM 1055 CG TRP B 33 33 .550 38. .217 19 .138 1. 00 13 .06

B

ATOM 1056 CD2 TRP B 33 33 .612 37. ,454 17 .928 1. 00 12. .38

B

ATOM 1057 CE2 TRP B 33 34 .621 36. 482 18 .101 1. 00 11. .68

B

ATOM 1058 CE3 TRP B 33 32 .913 37. 499 16 .714 1. 00 13 , .23

B

ATOM 1059 CDl TRP B 33 34 .491 37. 695 19 .972 1. 00 13. .89

ATOM 1060 NEl TRP B 33 35 .141 36. 650 19 .358 1. 00 13. , 54

B

ATOM 1061 CZ2 TRP B 33 34 .950 35. 557 17 .105 1. 00 13. 18

B

ATOM 1062 CZ3 TRP B 33 33 .241 36. 579 15 .723 1. 00 13. 73

B

ATOM 1063 CH2 TRP B 33 34 .252 35. 621 15 .927 1. 00 12. 77

B

ATOM 1064 C TRP B 33 31 .990 41. 627 18 .717 1. 00 13. 27 a

ATOM 1065 O TRP B 33 31 .506 42. 167 19 .712 1. 00 13. 85

ATOM 1066 N GLY B 34 31 .523 41. 813 17 .491 1. 00 12. 58

B

ATOM 1067 CA GLY B 34 30 .391 42. 691 17 .288 1. 00 13. 76

D

ATOM 1068 C GLY B 34 29 .344 42. 097 16 .370 1. 00 15. 26 πb

ATOM 1069 O GLY B 34 29 .624 41. 187 15 .590 1. 00 13. 45

B

ATOM 1070 N LEU B 35 28 .120 42. 596 16 .494 1. 00 16. 32

B 224

ATOM 1071 CA LEU B 35 27. .024 42 .159 15 .643 1 .00 17 .57

B

ATOM 1072 CB LEU B 35 25. , 681 42. .475 16 .293 1 .00 18 .29

ATOM 1073 CG LEU B 35 25. ,235 41. .647 17 .493 1 .00 20 .03

B

ATOM 1074 CDl LEU B 35 23. .975 42. .271 18 .086 1 .00 21 .65

B

ATOM 1075 CD2 LEU B 35 24. 972 40. .210 17 .057 1 .00 20 .77

B

ATOM 1076 C LEU B 35 27. 143 42. 960 14 .360 1 .00 17 .63

B

ATOM 1077 O LEU B 35 27. 332 44. 170 14 .402 1 .00 20 .89

B

ATOM 1078 N GLY B 36 27. 026 42. 291 13 .221 1 .00 17 .22

ATOM 1079 CA GLY B 36 27. 126 42. 991 11 .957 1 .00 17 .54

B

ATOM 1080 C GLY B 36 28. 463 42. 799 11 .272 1 .00 17 .34

B

ATOM 1081 O GLY B 36 29. 368 42. 161 11 .808 1. .00 15 .97

B

ATOM 1082 N GLU B 37 28. 579 43. 364 10. .076 1, .00 19 .17 a

ATOM 1083 CA GLU B 37 29. 798 43. 261 9. .282 1. .00 21 .13

B

ATOM 1084 CB GLU B 37 29. 521 43. 702 7. ,852 1. , 00 25 .21

B

ATOM 1085 CG GLU B 37 28. 300 43. 059 7. 243 1. ,00 30 .73

B

ATOM 1086 CD GLU B 37 27. 863 43. 767 985 1. 00 33 .65

B

ATOM 1087 OEl GLU B 37 28. 496 44. 786 5. 639 1. 00 36 .45

B

ATOM 1088 OE2 GLU B 37 26. 888 43. 317 5. 346 1. 00 36 .37

D

ATOM 1089 C GLU B 37 30. 924 44. 111 9. 845 1. 00 21 .18

B

ATOM 1090 O GLU B 37 30. 691 45. 116 10. 515 1. 00 21 .18

B

ATOM 1091 N CYS B 38 32. 151 43. 702 9. 549 1. 00 20 .60

B

ATOM 1092 CA CYS B 38 33. 318 44. 417 10. 021 1. 00 22 .79 ATOM 1093 C CYS B 38 33. 371 45. 847 9. 501 1. 00 27 .06

B

ATOM 1094 O CYS B 38 33. 033 46. 123 8. 349 1. 00 27 .75

B

ATOM 1095 CB CYS B 38 34. 583 43. 664 9. 634 1. 00 19 .85

B

ATOM 1096 SG CYS B 38 34. 819 42. 115 10. 573 1. 00 17 .71

B

ATOM 1097 N ARG B 39 33. 820 46. 743 10. 373 1. 00 32 .22

B

ATOM 1098 CA ARG B 39 33. 900 48. 166 10. 092 1. 00 38. .44

B 225

ATOM 1099 CB ARG B 39 35 .140 48 .518 9 .274 1 .00 40 .17

B

ATOM 1100 CG ARG B 39 36 .275 49 .019 10 .182 1 .00 42 .46

B

ATOM 1101 CD ARG B 39 35 .804 50 .192 11 .070 1 .00 44 .14

B

ATOM 1102 NE ARG B 39 34 .545 49 .886 11 .751 1 .00 45 .52

B

ATOM 1103 CZ ARG B 39 33 .808 50 .754 12 .438 1 .00 46 .13

B

ATOM 1104 NHl ARG B 39 34 .195 52 .014 12 .559 1 .00 46 .05

B

ATOM 1105 NH2 ARG B 39 32 .669 50 .359 12 .994 1 .00 46 .56

B

ATOM 1106 C ARG B 39 32 .625 48 .696 9 .473 1 .00 41 .55

B

ATOM 1107 O ARG B 39 32 .514 48 .982 8 .282 1 .00 42 .72

B

ATOM 1108 N HIS B 40 31 .671 48 .815 10 .380 1 .00 44 .92

B

ATOM 1109 CA HIS B 40 30 .306 49 .261 10 .192 1 .00 47 .85

B

ATOM 1110 CB HIS B 40 29 .557 48 .335 9 .232 1, .00 48 .82

B

ATOM 1111 CG HIS B 40 29 .178 48 .969 7 .931 1, .00 49 .74

B

ATOM 1112 CD2 HIS B 40 29 .474 50 .180 7 .401 1. ,00 50 , ,23

B

ATOM 1113 NDl HIS B 40 28 .395 48 .323 7 .000 1. ,00 50. ,18

B

ATOM 1114 CEl HIS B 40 28. .223 49. .108 5 , .951 1. 00 50. 59

B

ATOM 1115 NE2 HIS B 40 28. .867 50. .240 6 , .169 1. 00 50. 46

B

ATOM 1116 C HIS B 40 29. ,956 48. ,869 11. ,609 1. 00 49. 17

B

ATOM 1117 O HIS B 40 29. 274 49. ,575 12. 352 1. 00 50. 19

B

ATOM 1118 N SER B 41 30. 491 47. 705 11. 957 1. 00 50. 34

D

ATOM 1119 CA SER B 41 30. 323 47. 109 13. 263 1. 00 51. 07

B

ATOM 1120 CB SER B 41 29. 410 45. 888 13. 178 1. 00 51. 45

B

ATOM 1121 OG SER B 41 29. 379 45. 208 14. 420 1. 00 52. 60

B

ATOM 1122 C SER B 41 31. 675 46. 693 13. 836 1. 00 51. 14

B

ATOM 1123 O SER B 41 31. 919 45. 511 14. 081 1. 00 51. 69

B

ATOM 1124 N TYR B 42 32. 562 47. 666 14. 021 1. 00 50. 63

B

ATOM 1125 CA TYR B 42 33. 866 47. 408 14. 619 1. 00 49. 52

B

ATOM 1126 CB TYR B 42 34. 831 48. 551 14. 272 1. 00 51. 60

B 226

ATOM 1127 CG TYR B 42 35 .964 48 .815 15 .242 1 .00 53 .66

ATOM 1128 CDl TYR B 42 36 .836 47 .801 15 .643 1 .00 54 .44

ATOM 1129 CEl TYR B 42 37 .886 48 .067 16 .530 1 .00 55 .18 B ATOM 1130 CD2 TYR B 42 36 .169 50 .097 15 .748 1 .00 54 .31

ATOM 1131 CE2 TYR B 42 37 .209 50 .371 16 .627 1 .00 55 .16 ATOM 1132 CZ TYR B 42 38 .064 49 .355 17 .014 1 .00 55 .27 B ATOM 1133 OH TYR B 42 39 .095 49 .640 17 .878 1 .00 55 .72 B ATOM 1134 C TYR B 42 33 .528 47 .348 16 .106 1 .00 47 .37 B ATOM 1135 O TYR B 42 34 .168 47 .966 16 .960 1 .00 47 .39

U JD

ATOM 1136 N CYS B 43 32 .469 46 .589 16 .375 1 .00 43 .79 B ATOM 1137 CA CYS B 43 31 .932 46 .371 17 .704 1 .00 40 .40 a ATOM 1138 C CYS B 43 31 .156 47 .575 18 .214 1 .00 40 .53

ATOM 1139 O CYS B 43 31 .236 47 .928 19 .390 1 .00 40 .26

R

ATOM 1140 CB CYS B 43 33 , .048 45. .999 18. , 670 1 , .00 36. .08

ATOM 1141 SG CYS B 43 34. .073 44. .626 18 , , 055 1. .00 30. .56 B ATOM 1142 N ILE B 44 30. 412 48. ,207 17. 309 1. 00 40. ,78 B ATOM 1143 CA ILE B 44 29. 578 49. 348 17. 661 1. 00 40. ,88 a ATOM 1144 CB ILE B 44 28. 916 49. 969 16. 406 1. 00 41. 81

R

ATOM 1145 CG2 ILE B 44 28. 225 48. 889 15. 589 1. 00 42. 63 ATOM 1146 CGl ILE B 44 27. 914 51. 051 16. 820 1. 00 42. 22 B ATOM 1147 CDl ILE B 44 28. 537 52. 234 17. 533 1. 00 42. 99 B ATOM 1148 C ILE B 44 28. 508 48. 759 18. 571 1. 00 39. 98

ATOM 1149 O ILE B 44 28. 032 49. 402 19. 506 1. 00 40. 42

Rri

ATOM 1150 N ARG B 45 28. 147 47. 516 18. 269 1. 00 38. 59 B ATOM 1151 CA ARG B 45 27. 173 46. 744 19. 029 1. 00 37. 08 B ATOM 1152 CB ARG B 45 26. 024 46. 294 18. 122 1. 00 39. 53

R

ATOM 1153 CG ARG B 45 25. 043 47. 401 17. 758 1. 00 42. 33

D JD

ATOM 1154 CD ARG B 45 24. 013 47. 616 18. 861 1. 00 44. 55 B 227

ATOM 1155 NE ARG B 45 23 .118 46 .467 18 .993 1 .00 46 .48

ATOM 1156 CZ ARG B 45 22 .126 46 .384 19 .875 1 .00 47 .72

B

ATOM 1157 NHl ARG B 45 21 .894 47 .383 20 .716 1 .00 47 .83

B

ATOM 1158 NH2 ARG B 45 21 .364 45 .299 19 .916 1 .00 48 .01

B

ATOM 1159 C ARG B 45 27 .968 45 .536 19 .517 1 .00 35 .21

B

ATOM 1160 O ARG B 45 27 .834 44 .426 18 .996 1 .00 33 .94

B

ATOM 1161 N SER B 46 28 .813 45 .781 20 .513 1 .00 32 .36

B

ATOM 1162 CA SER B 46 29 .686 44 .765 21 .086 1 .00 29 .69

B

ATOM 1163 CB SER B 46 30 .672 45 .428 22 .050 1 .00 31 .55

B

ATOM 1164 OG SER B 46 31 .553 44 .475 22 .616 1 .00 35 .14

B

ATOM 1165 C SER B 46 28 .993 43 .611 21 .799 1 .00 27 .42 π D

ATOM 1166 O SER B 46 27 .986 43 .790 22 .484 1 .00 28 .77

B

ATOM 1167 N LEU B 47 29. .553 42 .420 21 .623 1 .00 22 .12

B

ATOM 1168 CA LEU B 47 29, .042 41 .212 22 .253 1 .00 20 .53

B

ATOM 1169 CB LEU B 47 28. .892 40 .098 21 .218 1 .00 19 .60

B

ATOM 1170 CG LEU B 47 27. .906 40 , ,337 20. .076 1. , 00 18. .75

B

ATOM 1171 CDl LEU B 47 27. ,976 39. ,168 19. , 102 1 , ,00 18. ,24

B

ATOM 1172 CD2 LEU B 47 26. 502 40. 494 20. 636 1. 00 18. .21

B

ATOM 1173 C LEU B 47 30. 056 40. 775 23. 300 1. 00 19. 38 a

ATOM 1174 O LEU B 47 29. 699 40. 245 24. 352 1. 00 19. 97

B

ATOM 1175 N ILE B 48 31. 326 41. 016 22. 988 1. 00 18. 09

B

ATOM 1176 CA ILE B 48 32. 441 40. 646 23. 851 1. 00 18. 89

B

ATOM 1177 CB ILE B 48 33. 040 39. 275 23. 443 1. 00 19. 59

B

ATOM 1178 CG2 ILE B 48 34. 378 39. 060 24. 142 1. 00 18. 27

B

ATOM 1179 CGl ILE B 48 32. 063 38. 140 23. 755 1. 00 20. 29

B

ATOM 1180 CDl ILE B 48 31. 942 37. 814 25. 228 1. 00 20. 80

B

ATOM 1181 C ILE B 48 33. 584 41. 647 23. 747 1. 00 17. 63

ATOM 1182 O ILE B 48 33. 844 42. 208 22. 682 1. 00 16. 81

B 228

ATOM 1183 N TRP B 49 34 .262 41 .859 24 .868 1 .00 18 .03

B

ATOM 1184 CA TRP B 49 35 .433 42 .720 24 .919 1 .00 18 .37

B

ATOM 1185 CB TRP B 49 35 .120 44 .091 25 .533 1 .00 22 .10

D

ATOM 1186 CG TRP B 49 34 .836 45 .157 24 .528 1 .00 25 .69

B

ATOM 1187 CD2 TRP B 49 35 .782 45 .783 23 .648 1 .00 26 .95

B

ATOM 1188 CE2 TRP B 49 35 .067 46 .718 22 .867 1 .00 27 .19

B

ATOM 1189 CE3 TRP B 49 37 .163 45 .648 23 .448 1 .00 27 .81

B

ATOM 1190 CDl TRP B 49 33 .625 45 .718 24 .250 1 .00 26 .80

B

ATOM 1191 NEl TRP B 49 33 .754 46 .656 23 .253 1 .00 27 .87

B

ATOM 1192 CZ2 TRP B 49 35 .686 47 .511 21 .892 1 .00 28 .50

B

ATOM 1193 CZ3 TRP B 49 37 .780 46 .439 22 .477 1 .00 28 .05

B

ATOM 1194 CH2 TRP B 49 37 .038 47 .361 21 .714 1 .00 28 .04

B

ATOM 1195 C TRP B 49 36 .422 42 .003 25 .816 1 .00 17 .91

B

ATOM 1196 O TRP B 49 36 .033 41 .432 26 .833 1 .00 17 .53

B

ATOM 1197 N THR B 50 37 .690 41. .993 25. .426 1. .00 16 .39

B

ATOM 1198 CA THR B 50 38. .717 41. ,386 26. ,264 1. .00 16 , .19

B

ATOM 1199 CB THR B 50 39. .433 40. .190 25. .602 1. ,00 16 , ,62

B

ATOM 1200 OGl THR B 50 40. .347 40. 673 24. 607 1. 00 15. 82

B

ATOM 1201 CG2 THR B 50 38. 431 39. 232 24. 973 1. 00 16. 28 π £5

ATOM 1202 C THR B 50 39. 775 42. 449 26. 481 1. 00 16. 60

B

ATOM 1203 O THR B 50 39. 772 43. 487 25. 811 1. 00 16. 54

B

ATOM 1204 N ASN B 51 40. 672 42. 191 27. 425 1. 00 16. 78

B

ATOM 1205 CA ASN B 51 41. 769 43. 108 27. 693 1. 00 16. 91

B

ATOM 1206 CB ASN B 51 41. 884 43. 398 29. 196 1. 00 17. 37

B

ATOM 1207 CG ASN B 51 42. 181 42. 156 30. 020 1. 00 17. 11

B

ATOM 1208 ODl ASN B 51 42. 284 41. 045 29. 495 1. 00 17. 13

B

ATOM 1209 ND2 ASN B 51 42. 315 42. 342 31. 334 1. 00 18. 72

B

ATOM 1210 C ASN B 51 43. 024 42. 405 27. 188 1. 00 17. 09

B 229

ATOM 1211 O ASN B 51 44 .148 42 .771 27 .531 1 .00 17 .63 π 13

ATOM 1212 N GLY B 52 42 .803 41 .388 26 .359 1 .00 16 .04

B

ATOM 1213 CA GLY B 52 43 .886 40 .601 25 .806 1 .00 15 .81

B

ATOM 1214 C GLY B 52 44 .032 39 .261 26 .507 1 .00 16 .17

B

ATOM 1215 O GLY B 52 44 .508 38 .288 25 .919 1 .00 16 .08

Ώ

ATOM 1216 N TYR B 53 43 .597 39 .197 27 .764 1 .00 17 .20

B

ATOM 1217 CA TYR B 53 43 .731 37 .973 28 .544 1 .00 18 .05

" JDD

ATOM 1218 CB TYR B 53 44 .661 38 .212 29 .738 1 .00 17 .92

B

ATOM 1219 CG TYR B 53 46 .007 38 .804 29 .388 1 .00 18 .27

B

ATOM 1220 CDl TYR B 53 46 .151 40 .170 29 .144 1 .00 19 .02

B

ATOM 1221 CEl TYR B 53 47 .396 40 .719 28 .829 1 .00 20 .22

B

ATOM 1222 CD2 TYR B 53 47 .141 37 .999 29 .306 1 .00 18 .88

B

ATOM 1223 CE2 TYR B 53 48 .387 38 .537 28 .993 1 .00 19 .82

B

ATOM 1224 CZ TYR B 53 48 .507 39 .894 28 .756 1 .00 21 .09

B

ATOM 1225 OH TYR B 53 49 .742 40. ,421 28 .445 1 .00 24 , .66

B

ATOM 1226 C TYR B 53 42 .425 37. .391 29 .064 1 .00 18 , .16

B

ATOM 1227 O TYR B 53 42 .306 36. .176 29 .228 1 .00 20. , 06

B

ATOM 1228 N THR B 54 41 .455 38. 253 29 .338 1 .00 19. .67

B

ATOM 1229 CA THR B 54 40 .170 37. 799 29 .853 1 .00 21. 74 π O

ATOM 1230 CB THR B 54 40 .138 37. 857 31 .394 1 .00 24. 28 a ATOM 1231 OGl THR B 54 40 .248 39. 219 31 .819 1 .00 27. 20

B

ATOM 1232 CG2 THR B 54 41 .290 37. 060 31 .985 1 .00 27. 04

B

ATOM 1233 C THR B 54 39 .028 38. 659 29 .329 1 .00 21. 59

ATOM 1234 O THR B 54 39 .236 39. 798 28 .912 1 .00 21. 23

B

ATOM 1235 N VAL B 55 37 .820 38. 106 29 .353 1 .00 21. 54

B

ATOM 1236 CA VAL B 55 36 .643 38. 838 28 .908 1 .00 21. 63

B

ATOM 1237 CB VAL B 55 35 .424 37. 901 28 .762 1 .00 21. 48

B

ATOM 1238 CGl VAL B 55 34 .176 38. 711 28 .436 1. .00 20. 80

B 230

ATOM 1239 CG2 VAL B 55 35 .692 36 .875 27 .669 1, , 00 21. .30

ATOM 1240 C VAL B 55 36 .339 39 .897 29 .960 1. ,00 22. .62

ATOM 1241 O VAL B 55 36 .160 39 .577 31 .135 1. ,00 22. ,83

ATOM 1242 N THR B 56 36 .292 41 .156 29 .538 1. 00 22. 83

B

ATOM 1243 CA THR B 56 36 .018 42 .256 30 .451 1. 00 23. 95

ATOM 1244 CB THR B 56 37 .019 43 .409 30 .232 1. 00 24. 05 rs

ATOM 1245 OGl THR B 56 37 .044 43 .765 28 .845 1. 00 25. 32

ATOM 1246 CG2 THR B 56 38 .414 42 .988 30 .667 1. 00 23. 90 B ATOM 1247 C THR B 56 34 .598 42 .790 30 .301 1. 00 25. 53 rS ATOM 1248 O THR B 56 34 .137 43 .596 31 .112 1. 00 25. 86 ϋ

ATOM 1249 N HIS B 57 33 .909 42 .340 29 .258 1. 00 25. 61 b

ATOM 1250 CA HIS B 57 32. .535 42 .750 29 .000 1. 00 26. 64 B

ATOM 1251 CB HIS B 57 32, .482 44 .131 28 .343 1. 00 28. 37 B ATOM 1252 CG HIS B 57 31. .115 44 .507 27 .855 1. 00 31. 08

ATOM 1253 CD2 HIS B 57 30. .591 44 , .536 26 .606 1. 00 31. 84 B ATOM 1254 NDl HIS B 57 30. 090 44 , , 854 28 .708 1. 00 32. 46 π £5

ATOM 1255 CEl HIS B 57 28. 992 45, , 079 28 .007 1. 00 32. 55

D

ATOM 1256 NE2 HIS B 57 29. 269 44. ,892 26 .729 1. 00 32. 65 B ATOM 1257 C HIS B 57 31. 845 41. 753 28 .083 1. 00 26. 84

ATOM 1258 O HIS B 57 32. 440 41. 266 27 .122 1. 00 24. 80 B ATOM 1259 N GLN B 58 30. 589 41. 454 28 .392 1. 00 26. 44

ATOM 1260 CA GLN B 58 29. 789 40. 533 27 .592 1. 00 27. 87

R

ATOM 1261 CB GLN B 58 29. 787 39. 136 28 .218 1. 00 29. 59 B ATOM 1262 CG GLN B 58 29. 314 39. 100 29 .664 1. 00 32. 75

R

ATOM 1263 CD GLN B 58 29. 091 37. 688 30 .168 1. 00 33. 48

ATOM 1264 OEl GLN B 58 29. 950 36. 821 30 .019 1. 00 35. 03 a ATOM 1265 NE2 GLN B 58 27. 932 37. 452 30 .776 1. 00 34. 88 B ATOM 1266 C GLN B 58 28. 367 41. 074 27 .540 1. 00 28. 03 B 231

ATOM 1267 O GLN B 58 27 .830 41 .503 28. ,563 1 .00 29 .09 a ATOM 1268 N ARG B 59 27 .756 41 .069 26. 359 1 .00 26 .99

ATOM 1269 CA ARG B 59 26 .390 41 .566 26. 239 1 .00 27 .96 hi ATOM 1270 CB ARG B 59 25 .891 41 .459 24. 798 1 .00 29 .36 a ATOM 1271 CG ARG B 59 24 .420 41 .813 24. 665 1 .00 32 .39 π

ATOM 1272 CD ARG B 59 24 . Oil 42 .063 23. 232 1 .00 35 .24 π ATOM 1273 NE ARG B 59 24 .665 43 .244 22. 678 1 .00 38 .36 B ATOM 1274 CZ ARG B 59 24 .245 43 .886 21. 593 1 .00 39 .48 ATOM 1275 NHl ARG B 59 23 .167 43 .462 20. 947 1 .00 40 .19 B ATOM 1276 NH2 ARG B 59 24 .901 44 .951 21. 153 1 .00 40 .06

ATOM 1277 C ARG B 59 25 .478 40 .770 27. 167 1 .00 27 .44

ATOM 1278 O ARG B 59 24 .637 41 .335 27. 867 1 .00 27 .73 ATOM 1279 N ASN B 60 25 .643 39 .452 27. 152 1 .00 27 .41

B ATOM 1280 CA ASN B 60 24 .882 38 .559 28. 016 1 .00 27 .24 B ATOM 1281 CB ASN B 60 23 .429 38 .405 27. 533 1. .00 28 .74 π

ATOM 1282 CG ASN B 60 23 .322 37 .784 26. 160 1 , , 00 28 .49

R £3

ATOM 1283 ODl ASN B 60 23 .831 36 .691 25. 917 1. ,00 30 .48

"H

ATOM 1284 ND2 ASN B 60 22 .640 38 .476 25. 251 1. ,00 29 .86

D

ATOM 1285 C ASN B 60 25 .597 37 .215 28. 077 1. 00 26 .80

ATOM 1286 O ASN B 60 26 .560 36 .983 27. 343 1. 00 25 .34 B ATOM 1287 N SER B 61 25 .133 36 .332 28. 956 1. 00 25 .94

ATOM 1288 CA SER B 61 25 .760 35 .028 29. 146 1. 00 26 .09

ATOM 1289 CB SER B 61 25 .114 34 .313 30. 337 1. 00 27 .79 B ATOM 1290 OG SER B 61 23 .736 34 .083 30. 109 1. 00 30 .39 π

ATOM 1291 C SER B 61 25 .779 34 .084 27. 945 1. 00 25 .13 ATOM 1292 O SER B 61 26 .471 33 .065 27. 978 1. 00 25 .19

ATOM 1293 N ARG B 62 25 .032 34 .408 26. 892 1. 00 24 .10

ATOM 1294 CA ARG B 62 25 .004 33 .551 25. 708 1. 00 23 .45 B 232

ATOM 1295 CB ARG B 62 23 .811 33 .889 24 .808 1 .00 22 .59

B

ATOM 1296 CG ARG B 62 22 .454 33 .449 25 .337 1 .00 24 .53

B

ATOM 1297 CD ARG B 62 21 .527 33 .111 24 .175 1 .00 24 .05

B

ATOM 1298 NE ARG B 62 21 .337 34 .245 23 .275 1 .00 23 .60

B

ATOM 1299 CZ ARG B 62 21 .228 34 .142 21 .953 1 .00 23 .92

B

ATOM 1300 NHl ARG B 62 21 .295 32 .953 21 .367 1 .00 22 .53

B

ATOM 1301 NH2 ARG B 62 21 .054 35 .229 21 .214 1 .00 23 .58

B

ATOM 1302 C ARG B 62 26 .282 33 .651 24 .880 1 .00 21 .72

B

ATOM 1303 O ARG B 62 26 .572 32 .772 24 .072 1 .00 21 .79

B

ATOM 1304 N TYR B 63 27 .044 34 .722 25 .079 1 .00 20 .12 π 15

ATOM 1305 CA TYR B 63 28 .281 34 .911 24 .329 1 .00 19 .69

B

ATOM 1306 CB TYR B 63 28 .357 36 .351 23 .817 1 .00 18 .91 π £5

ATOM 1307 CG TYR B 63 27 .122 36 .746 23 .035 1 .00 18 .30 n

ATOM 1308 CDl TYR B 63 26 .076 37 .439 23 .645 1 .00 19 .42

B

ATOM 1309 CEl TYR B 63 24 .914 37 .757 22 .944 1 .00 19 .22

B

ATOM 1310 CD2 TYR B 63 26 .974 36 .380 21 .697 1 .00 17 .94

B

ATOM 1311 CE2 TYR B 63 25 .817 36 .692 20 .988 1 .00 18 .52

B

ATOM 1312 CZ TYR B 63 24 .791 37 .381 21 .616 1 .00 17 .61

B

ATOM 1313 OH TYR B 63 23 .644 37 .699 20 .921 1 .00 20 .01

B

ATOM 1314 C TYR B 63 29 .475 34 .566 25 .210 1 .00 19 .91

B

ATOM 1315 O TYR B 63 29 .711 35 .205 26 .237 1 .00 21 .21

B

ATOM 1316 N GLN B 64 30 .229 33 .551 24 .799 1 .00 19 .50

B

ATOM 1317 CA GLN B 64 31 .368 33 .079 25 .576 1 .00 20 .04

B

ATOM 1318 CB GLN B 64 31 .020 31 .737 26 .227 1 .00 22 .38

B

ATOM 1319 CG GLN B 64 29 .814 31 .734 27 .152 1 .00 25 .51

B

ATOM 1320 CD GLN B 64 30 .110 32 .356 28 .497 1 .00 27 .39

B

ATOM 1321 OEl GLN B 64 31 .186 32 .155 29 .060 1 .00 31 .27 π O

ATOM 1322 NE2 GLN B 64 29 .148 33 .101 29 .031 1 .00 28 .80

B 233

ATOM 1323 C GLN B 64 32 .644 32 .871 24 .769 1 .00 18 .66 rS

ATOM 1324 O GLN B 64 32 .593 32 .530 23 .591 1 .00 18 .18

B

ATOM 1325 N LEU B 65 33 .787 33 .082 25 .416 1 .00 18 .20

B

ATOM 1326 CA LEU B 65 35 .081 32 .832 24 .788 1 .00 17 .94

B

ATOM 1327 CB LEU B 65 36 .026 34 .030 24 .923 1 .00 17 .52

B

ATOM 1328 CG LEU B 65 35 .661 35 .330 24 .197 1 .00 19 .69

ATOM 1329 CDl LEU B 65 36 .913 36 .187 24 .068 1 .00 18 .67

15

ATOM 1330 CD2 LEU B 65 35 .097 35 .041 22 .818 1 .00 19 .25

B

ATOM 1331 C LEU B 65 35 .615 31 .647 25 .584 1 .00 18 .74

B

ATOM 1332 O LEU B 65 36 .116 31 .813 26 .698 1 .00 19 .93

B

ATOM 1333 N LYS B 66 35 .489 30 .452 25 .017 1 .00 18 .38 ϋ ATOM 1334 CA LYS B 66 35 .913 29 .229 25 .693 1 .00 19 .62

B

ATOM 1335 CB LYS B 66 34 .955 28 .095 25 .328 1 .00 21 .39

B

ATOM 1336 CG LYS B 66 33 .524 28 .350 25 .755 1 .00 23 .99

B

ATOM 1337 CD LYS B 66 32 .631 27 .176 25 .404 1 .00 27 .71

B

ATOM 1338 CE LYS B 66 31 .253 27 .348 26 .013 1 .00 29 .28

B

ATOM 1339 NZ LYS B 66 31 .311 27 .445 27 .501 1 .00 32 .46 π 13

ATOM 1340 C LYS B 66 37 .344 28 .768 25 .456 1 .00 20 .10

B

ATOM 1341 O LYS B 66 37 .811 27 .834 26 .112 1 .00 21 .39

B

ATOM 1342 N GLY B 67 38 .041 29 .410 24 .525 1 .00 18 .80

B

ATOM 1343 CA GLY B 67 39 .408 29 .015 24 .242 1 .00 18 .60

B

ATOM 1344 C GLY B 67 40 .420 29 .731 25 .112 1 .00 18 .85

B

ATOM 1345 O GLY B 67 40 .050 30 .503 25 .996 1 .00 19 .19

B

ATOM 1346 N ASN B 68 41 .700 29 .473 24 .867 1 .00 19 .38

B

ATOM 1347 CA ASN B 68 42 .761 30 .112 25 .635 1 .00 19 .56

B

ATOM 1348 CB ASN B 68 44 .032 29 .260 25 .593 1 .00 21 .59

ATOM 1349 CG ASN B 68 45 .071 29 .711 26 .604 1 .00 23 .99

B

ATOM 1350 ODl ASN B 68 45 .907 28 .919 27 .045 1 .00 28 .66

B 234

ATOM 1351 ND2 ASN B 68 45.031 30.988 26.969 1.00 23.39

B

ATOM 1352 C ASN B 68 43.016 31.493 25.043 1.00 18.67

B

ATOM 1353 O ASN B 68 43.791 31.653 24.102 1.00 17.84

B

ATOM 1354 N ILE B 69 42.341 32.484 25.611 1.00 17.44

B

ATOM 1355 CA ILE B 69 42.436 33.862 25.152 1.00 16.78

B

ATOM 1356 CB ILE B 69 41.575 34.778 26.047 1.00 16.70

B

ATOM 1357 CG2 ILE B 69 41.728 36.234 25.621 1.00 16.80

B

ATOM 1358 CGl ILE B 69 40.109 34.342 25.958 1.00 16.68

ATOM 1359 CDl ILE B 69 39.208 35.004 26.967 1.00 19.22

B

ATOM 1360 C ILE B 69 43.854 34.425 25.070 1.00 17.32

B

ATOM 1361 O ILE B 69 44.257 34.947 24.031 1.00 15.94

B

ATOM 1362 N SER B 70 44.617 34.315 26.153 1.00 18.01

B

ATOM 1363 CA SER B 70 45.976 34.854 26.166 1.00 19.44

B

ATOM 1364 CB SER B 70 46.581 34.737 27.567 1.00 20.75

B

ATOM 1365 OG SER B 70 46.881 33.390 27.869 1.00 22.91

B

ATOM 1366 C SER B 70 46.908 34.195 25.154 1.00 19.39

B

ATOM 1367 O SER B 70 47.975 34.731 24.848 1.00 21.05

B

ATOM 1368 N GLU B 71 46.516 33.033 24.641 1.00 18.54

ATOM 1369 CA GLU B 71 47.328 32.332 23.656 1.00 19.43

B

ATOM 1370 CB GLU B 71 47.327 30.830 23.948 1.00 21.96

B

ATOM 1371 CG GLU B 71 47.996 30.509 25.282 1.00 28.15

B

ATOM 1372 CD GLU B 71 48.268 29.032 25.483 1.00 32.27

B

ATOM 1373 OEl GLU B 71 48.123 28.256 24.514 1.00 35.68

B

ATOM 1374 OE2 GLU B 71 48.641 28.649 26.615 1.00 34.51

B

ATOM 1375 C GLU B 71 46.848 32.627 22.238 1.00 18.03

B

ATOM 1376 O GLU B 71 47.332 32.046 21.264 1.00 17.97

B

ATOM 1377 N GLY B 72 45.890 33.542 22.135 1.00 15.84

B

ATOM 1378 CA GLY B 72 45.398 33.940 20.829 1.00 15.08 235

ATOM 1379 C GLY B 72 44.092 33.346 20.348 1.00 15.53

B

ATOM 1380 O GLY B 72 43.631 33.701 19.266 1.00 14.46

B

ATOM 1381 N ASN B 73 43.491 32.442 21.115 1.00 13.33

B

ATOM 1382 CA ASN B 73 42.225 31.855 20.688 1.00 13.37

B

ATOM 1383 CB ASN B 73 42.128 30.387 21.124 1.00 12.90

B

ATOM 1384 CG ASN B 73 40.877 29.704 20.602 1.00 14.96

ATOM 1385 ODl ASN B 73 40.663 28.510 20.827 1.00 17.98

ATOM 1386 ND2 ASN B 73 40.044 30.456 19.899 1.00 10.68

B

ATOM 1387 C ASN B 73 41.071 32.656 21.276 1.00 13.14

B

ATOM 1388 O ASN B 73 40.669 32.449 22.423 1.00 13.44

B

ATOM 1389 N VAL B 74 40.555 33.589 20.482 1.00 12.72

B

ATOM 1390 CA VAL B 74 39.456 34.436 20.910 1.00 11.53 π

ATOM 1391 CB VAL B 74 39.830 35.931 20.753 1.00 11.74

B

ATOM 1392 CGl VAL B 74 40.898 36.289 21.780 1.00 13.67

B

ATOM 1393 CG2 VAL B 74 40.355 36.211 19.343 1.00 13.57

B

ATOM 1394 C VAL B 74 38.176 34.110 20.141 1.00 10.56

B

ATOM 1395 O VAL B 74 37.344 34.982 19.868 1.00 11.22

B

ATOM 1396 N SER B 75 38.025 32.829 19.820 1.00 11.24

B

ATOM 1397 CA SER B 75 36.858 32.339 19.098 1.00 11.60 πri ATOM 1398 CB SER B 75 37.014 30.846 18.770 1.00 10.65 π ID

ATOM 1399 OG SER B 75 38.181 30.598 18.007 1.00 11.61

B

ATOM 1400 C SER B 75 35.609 32.533 19.952 1.00 12.40

JrS ATOM 1401 O SER B 75 35.634 32.313 21.169 1.00 13.51 π

ATOM 1402 N LEU B 76 34.520 32.944 19.310 1.00 11.96

B

ATOM 1403 CA LEU B 76 33.253 33.179 19.992 1.00 12.57

B

ATOM 1404 CB LEU B 76 32.513 34.355 19.345 1.00 13.63

B

ATOM 1405 CG LEU B 76 31.081 34.607 19.838 1.00 14.00

B

ATOM 1406 CDl LEU B 76 31.121 35.059 21.295 1.00 16.04

B 236

ATOM 1407 CD2 LEU B 76 30 .407 35 .658 18. 976 1 .00 15 .64

B

ATOM 1408 C LEU B 76 32 .317 31 .976 19. 967 1 .00 13 .60 a ATOM 1409 O LEU B 76 32 .110 31 .360 18. 923 1 .00 14 .33

B

ATOM 1410 N THR B 77 31 .756 31 .641 21. 122 1 .00 14 .51

B

ATOM 1411 CA THR B 77 30 .786 30 .561 21. 180 1 .00 15 .96 a ATOM 1412 CB THR B 77 31 .143 29 .495 22. 238 1 .00 15 .90

B

ATOM 1413 OGl THR B 77 32 .330 28 .802 21. 838 1 .00 18 .01

B

ATOM 1414 CG2 THR B 77 29 .999 28 .481 22. 373 1 .00 18 .41

B

ATOM 1415 C THR B 77 29 .464 31 .210 21. 554 1 .00 15 .78

B

ATOM 1416 O THR B 77 29 .379 31 .936 22. 546 1 .00 16 .46

B

ATOM 1417 N ILE B 78 28 .447 30 .986 20. 729 1 .00 15 .79

B

ATOM 1418 CA ILE B 78 27 .120 31 .522 20. 991 1 .00 16 .71 π £5

ATOM 1419 CB ILE B 78 26 .463 32 .090 19. 720 1 .00 17 .17

B

ATOM 1420 CG2 ILE B 78 25 .067 32 .612 20. 046 1 .00 16 .81

B

ATOM 1421 CGl ILE B 78 27 .330 33 .212 19. 147 1. .00 17 .34 πr> ATOM 1422 CDl ILE B 78 26 .789 33 .810 17. 860 1, .00 17 .96 a ATOM 1423 C ILE B 78 26 .304 30 .338 21. 476 1 , .00 17 .36

B

ATOM 1424 O ILE B 78 26 .120 29 .362 20. 747 1. .00 17 .41

B

ATOM 1425 N GLU B 79 25 .837 30 .424 22. 716 1. , 00 19 .13

B

ATOM 1426 CA GLU B 79 25 .057 29 .350 23. 317 1. ,00 21 .38

B

ATOM 1427 CB GLU B 79 25 .192 29 .404 24. 842 1. 00 24 .49

B

ATOM 1428 CG GLU B 79 26 .622 29 .480 25. 348 1. 00 28 .02

B

ATOM 1429 CD GLU B 79 27 .372 28 .174 25. 202 1. 00 30 .83

B

ATOM 1430 OEl GLU B 79 26 .840 27 .241 24. 566 1. 00 32 .92 πn ATOM 1431 OE2 GLU B 79 28 .502 28 .082 25. 726 1. 00 32 .45

B

ATOM 1432 C GLU B 79 23 .576 29 .423 22. 963 1. 00 20 .63

B

ATOM 1433 O GLU B 79 23 .046 30 .493 22. 667 1. 00 20 .98

B

ATOM 1434 N ASN B 80 22 .923 28 .266 22. 998 1. 00 21 .88

B 237

ATOM 1435 CA ASN B 80 21 .490 28 .157 22 .744 1 .00 21 .98

B

ATOM 1436 CB ASN B 80 20 .746 28 .459 24 .049 1 .00 25 .10

ID ATOM 1437 CG ASN B 80 19 .290 28 .055 24 .002 1 .00 28 .15

ATOM 1438 ODl ASN B 80 18 .949 26 .968 23 .539 1 .00 31 .42

B

ATOM 1439 ND2 ASN B 80 18 .420 28 .925 24 .502 1 .00 30 .74

B

ATOM 1440 C ASN B 80 21 .008 29 .083 21 .629 1 .00 20 .30

B

ATOM 1441 O ASN B 80 20 .159 29 .949 21 .845 1 .00 20 .20

B

ATOM 1442 N THR B 81 21 .541 28 .886 20 .429 1 .00 19 .59

ATOM 1443 CA THR B 81 21 .169 29 .726 19 .297 1 .00 17 .67

B

ATOM 1444 CB THR B 81 22 .027 29 .422 18 .048 1 .00 17 .44

ATOM 1445 OGl THR B 81 21 .765 28 .086 17 .598 1 .00 17 .73

ATOM 1446 CG2 THR B 81 23 .506 29 .574 18 .361 1 .00 18 .41

B

ATOM 1447 C THR B 81 19 .717 29 .586 18 .870 1 .00 17 .11

B

ATOM 1448 O THR B 81 19. .064 28 .575 19 .135 1 .00 17 .98

B

ATOM 1449 N VAL B 82 19. .218 30 .632 18 .223 1 .00 15 .52

B

ATOM 1450 CA VAL B 82 17 , .869 30 .648 17 .676 1 .00 14 .88

B

ATOM 1451 CB VAL B 82 16. .932 31 .631 18 .417 1 .00 14 .91

B

ATOM 1452 CGl VAL B 82 16. ,634 31 .101 19 .810 1 .00 16 .32

B

ATOM 1453 CG2 VAL B 82 17. 557 33 .021 18 .497 1 .00 15 .20 n ATOM 1454 C VAL B 82 18. 062 31 .090 16 .234 1 .00 14 .89

B

ATOM 1455 O VAL B 82 19. 093 31 .672 15 .897 1 .00 14 .22

B

ATOM 1456 N VAL B 83 17. 096 30 .797 15 .375 1 .00 14 .44

B

ATOM 1457 CA VAL B 83 17. 212 31 .168 13 .973 1 .00 14 .52

B ATOM 1458 CB VAL B 83 15. 936 30 .764 13 .192 1 .00 13 .36

B

ATOM 1459 CGl VAL B 83 15. 979 31 .312 11 .772 1 .00 14 .87

B

ATOM 1460 CG2 VAL B 83 15. 832 29 .243 13 .150 1 .00 15 .46

B

ATOM 1461 C VAL B 83 17. 477 32 .664 13 .841 1 .00 15 .28

B

ATOM 1462 O VAL B 83 18. 235 33 .088 12 .965 1 .00 15 .17 238

ATOM 1463 N GLY B 84 16. .878 33 .448 14 .735 1. , 00 15 .15

B

ATOM 1464 CA GLY B 84 17, .057 34 .890 14 .715 1. , 00 15 .64

ATOM 1465 C GLY B 84 18 , ,470 35 .380 14 .984 1. ,00 14 .46

B

ATOM 1466 O GLY B 84 18. 728 36 .580 14 .891 1. 00 15 .22

B

ATOM 1467 N ASP B 85 19. 380 34 .476 15 .341 1. 00 13 .22

B

ATOM 1468 CA ASP B 85 20. 776 34 .850 15 .588 1. 00 13 .25

ATOM 1469 CB ASP B 85 21. 493 33 .831 16 .484 1. 00 14 .70

B

ATOM 1470 CG ASP B 85 21. 126 33 .963 17 .943 1. 00 16 .91

B

ATOM 1471 ODl ASP B 85 21. 015 35 .104 18 .440 1. 00 16 .60

B

ATOM 1472 OD2 ASP B 85 20. 974 32 .915 18 .604 1. 00 17 .89

ATOM 1473 C ASP B 85 21. 544 34 .918 14 .276 1. 00 13 .47

B

ATOM 1474 O ASP B 85 22. 693 35 .349 14 .244 1. 00 13, .61

B

ATOM 1475 N GLY B 86 20. 908 34 .483 13 .194 1. 00 13 , .23

B

ATOM 1476 CA GLY B 86 21. 571 34 .473 11 .903 1. 00 13, .09

B

ATOM 1477 C GLY B 86 22. 020 35, ,828 11 .398 1. 00 12. 27

B

ATOM 1478 O GLY B 86 21. 507 36, ,871 11 .813 1. 00 13. 91

B

ATOM 1479 N GLY B 87 22. 991 35. , 817 10 .495 1. 00 11. 15

B

ATOM 1480 CA GLY B 87 23. 457 37. 072 9 .945 1. 00 10. 97

B

ATOM 1481 C GLY B 87 24. 933 37. 324 10 .136 1. 00 11. 23

B

ATOM 1482 O GLY B 87 25. 672 36. 453 10 .594 1. 00 10. 35

B

ATOM 1483 N PRO B 88 25. 392 38. 530 9 .789 1. 00 11. 31

B

ATOM 1484 CD PRO B 88 24. 625 39. 591 9 .107 1. 00 12. 62

B

ATOM 1485 CA PRO B 88 26. 802 38. 896 '9 .917 1. 00 11. 37

B

ATOM 1486 CB PRO B 88 26. 914 40. 126 9 .017 1. 00 12. 07

B

ATOM 1487 CG PRO B 88 25. 557 40. 767 9 .180 1. 00 12. 20

B

ATOM 1488 C PRO B 88 27. 297 39. 174 11 .331 1. 00 11. 30

B

ATOM 1489 O PRO B 88 26. 586 39. 751 12 .152 1. 00 12. 11

B

ATOM 1490 N TYR B 89 28. 530 38. 741 11 .587 1. 00 11. 67

B 239

ATOM 1491 CA TYR B 89 29. 226 38 .947 12 .854 1. 00 11. 11 rS ATOM 1492 CB TYR B 89 29. 278 37 .671 13 .696 1. 00 11. 12

B

ATOM 1493 CG TYR B 89 27. 964 37 .297 14 .322 1. 00 11. 22

B

ATOM 1494 CDl TYR B 89 26. 940 36 .738 13 .562 1. 00 11. 66

B

ATOM 1495 CEl TYR B 89 25. 721 36 .409 14 .133 1. 00 12. 33

B

ATOM 1496 CD2 TYR B 89 27. 732 37 .518 15 .677 1. 00 13. 51

B

ATOM 1497 CE2 TYR B 89 26. 514 37 .193 16 .260 1. 00 13. 66

B

ATOM 1498 CZ TYR B 89 25. 511 36 .638 15 .479 1. 00 13. 48

B

ATOM 1499 OH TYR B 89 24. 296 36 .328 16 .049 1. 00 14. 44

B

ATOM 1500 C TYR B 89 30. 645 39 .350 12 .499 1. 00 11. 42

B

ATOM 1501 O TYR B 89 31. 133 39 .025 11 .412 1. 00 12. 55

B

ATOM 1502 N CYS B 90 31. 306 40 .056 13 .410 1. 00 10. 73

B

ATOM 1503 CA CYS B 90 32. 673 40 .500 13 .168 1. 00 11. 27

B

ATOM 1504 C CYS B 90 33. 591 40 .302 14 .362 1. 00 10. 74

B

ATOM 1505 O CYS B 90 33. 211 40 .578 15 .502 1. 00 10. 37

B

ATOM 1506 CB CYS B 90 32. 711 41 .992 12 .785 1. 00 12. 26 t>

ATOM 1507 SG CYS B 90 34. 423 42 .582 12 .517 1. 00 17. 01

B

ATOM 1508 N CYS B 91 34. 792 39 .803 14 .088 1. 00 10. 72

B

ATOM 1509 CA CYS B 91 35. 822 39 .634 15 .106 1. 00 11. 50

B

ATOM 1510 C CYS B 91 36. 887 40 .690 14 .810 1. 00 12. 47

B

ATOM 1511 O CYS B 91 37. 332 40 .822 13 .669 1. 00 10. 48

B

ATOM 1512 CB CYS B 91 36. 472 38 .254 15 .020 1. 00 14. 07

B

ATOM 1513 SG CYS B 91 37. 845 38 .062 16 .210 1. 00 15. 79

B

ATOM 1514 N VAL B 92 37. 287 41 .444 15 .827 1. 00 10. 61

ATOM 1515 CA VAL B 92 38. 315 42 .462 15 .650 1. 00 12. 95

ATOM 1516 CB VAL B 92 37. 749 43 .896 15 .811 1. 00 13. 38

B

ATOM 1517 CGl VAL B 92 38. 839 44 .917 15 .502 1. 00 15. 33

B

ATOM 1518 CG2 VAL B 92 36. 552 44 .102 14 .894 1. 00 15. 53

B 240

ATOM 1519 C VAL B 92 39.407 42.282 16.695 1.00 12.17

B

ATOM 1520 O VAL B 92 39.135 42.385 17.889 1.00 13.08

B

ATOM 1521 N VAL B 93 40.630 41.999 16.253 1.00 11.80

B

ATOM 1522 CA VAL B 93 41.754 41.854 17.180 1.00 12.29

B

ATOM 1523 CB VAL B 93 42.595 40.589 16.883 1.00 11.73

B

ATOM 1524 CGl VAL B 93 43.655 40.414 17.965 1.00 12.20 a ATOM 1525 CG2 VAL B 93 41.689 39.359 16.846 1.00 13.78

B

ATOM 1526 C VAL B 93 42.586 43.117 16.976 1.00 12.26

B

ATOM 1527 O VAL B 93 43.109 43.359 15.886 1.00 11.77

B

ATOM 1528 N GLU B 94 42.694 43.916 18.032 1.00 12.05

^"D

ATOM 1529 CA GLU B 94 43.385 45.202 17.967 1.00 13.48

B

ATOM 1530 CB GLU B 94 42.824 46.132 19.049 1.00 15.78

D

ATOM 1531 CG GLU B 94 41.312 46.253 18.998 1.00 19.31

ATOM 1532 CD GLU B 94 40.775 47.295 19.960 1.00 23.21

B

ATOM 1533 OEl GLU B 94 41.098 47.224 21.163 1.00 24.86

B

ATOM 1534 OE2 GLU B 94 40.023 48.182 19.510 1.00 27.00

"D

ATOM 1535 C GLU B 94 44.904 45.190 18.030 1.00 14.29

B

ATOM 1536 O GLU B 94 45.507 45.750 18.944 1.00 14.83

B

ATOM 1537 N ILE B 95 45.516 44.554 17.039 1.00 12.14

ATOM 1538 CA ILE B 95 46.963 44.487 16.937 1.00 14.08

^"R

ATOM 1539 CB ILE B 95 47.382 43.322 16.014 1.00 12.72

B

ATOM 1540 CG2 ILE B 95 48.894 43.300 15.848 1.00 13.80

B

ATOM 1541 CGl ILE B 95 46.871 41.997 16.592 1.00 12.79

ATOM 1542 CDl ILE B 95 46.944 40.824 15.623 1.00 14.79

B

ATOM 1543 C ILE B 95 47.368 45.826 16.309 1.00 14.88

B

ATOM 1544 O ILE B 95 47.080 46.083 15.143 1.00 15.17

B

ATOM 1545 N PRO B 96 48.023 46.708 17.083 1.00 16.46

B

ATOM 1546 CD PRO B 96 48.406 46.583 18.501 1.00 18.33

B 241

ATOM 1547 CA PRO B 96 48 , .434 48 .012 16 .549 1 , .00 16 .97

B

ATOM 1548 CB PRO B 96 49. .310 48 .575 17 .661 1. , 00 18 .53

B

ATOM 1549 CG PRO B 96 48. .651 48 .028 18 .893 1. .00 18 .75

B

ATOM 1550 C PRO B 96 49. 163 47 .949 15 .211 1. 00 16 .56

B

ATOM 1551 O PRO B 96 50. 186 47 .279 15 .081 1. 00 16 .31

B

ATOM 1552 N GLY B 97 48. 620 48 .651 14 .221 1. 00 16 .72

B

ATOM 1553 CA GLY B 97 49. 231 48 .678 12 .903 1. 00 16 .96

B

ATOM 1554 C GLY B 97 48. 953 47 .461 12 .039 1. 00 15 .85

B

ATOM 1555 O GLY B 97 49. 397 47 .395 10 .894 1. 00 17 .42

B

ATOM 1556 N ALA B 98 48. 229 46 .486 12 .578 1. 00 14 .21

B

ATOM 1557 CA ALA B 98 47. 912 45 .287 11 .814 1. 00 13 .27

B

ATOM 1558 CB ALA B 98 49. 101 44 .342 11 .807 1. 00 12 .70

B

ATOM 1559 C ALA B 98 46. 684 44 .585 12 .385 1. 00 12. .32

B

ATOM 1560 O ALA B 98 46. 728 43 .400 12 .716 1. 00 11, .54

B

ATOM 1561 N PHE B 99 45. 587 45. .325 12 .494 1. 00 11. ,36

ATOM 1562 CA PHE B 99 44. 351 44. ,768 13 .026 1. 00 11. 33 rS

ATOM 1563 CB PHE B 99 43. 217 45. .791 12 .936 1. 00 12. 10

B

ATOM 1564 CG PHE B 99 43. 101 46. 694 14 .129 1. 00 12. 28

B

ATOM 1565 CDl PHE B 99 44. 229 47. 250 14 .719 1. 00 13. 43

B

ATOM 1566 CD2 PHE B 99 41. 847 47. 037 14 .626 1. 00 14. 24

ATOM 1567 CEl PHE B 99 44. 105 48. 142 15 .788 1. 00 14. 46

B

ATOM 1568 CE2 PHE B 99 41. 713 47. 928 15 .690 1. 00 15. 32

B

ATOM 1569 CZ PHE B 99 42. 845 48. 481 16 .269 1. 00 13. 09

ATOM 1570 C PHE B 99 43. 944 43. 535 12 .241 1. 00 11. 35

ATOM 1571 O PHE B 99 44. 115 43. 481 11 .020 1. 00 12. 12

ATOM 1572 N HIS B 100 43. 418 42. 544 12 .950 1. 00 11. 73

B

ATOM 1573 CA HIS B 100 42. 929 41. 329 12 .313 1. 00 10. 73

B

ATOM 1574 CB HIS B 100 43. 447 40. 087 13 .040 1. 00 11. 54

B 242

ATOM 1575 CG HIS B 100 42 .797 38 .811 12 .598 1.00 10 .47

B ATOM 1576 CD2 HIS B 100 42 .333 37 .758 13 .311 1.00 12 .25

B ATOM 1577 NDl HIS B 100 42 .610 38 .487 11 .270 1.00 9 .98 rs ATOM 1578 CEl HIS B 100 42 .064 37 .287 11 .186 1.00 10 .58

B

ATOM 1579 NE2 HIS B 100 41 .887 36 .823 12 .409 1.00 10 .71

B

ATOM 1580 C HIS B 100 41 .411 41 .377 12 .379 1.00 11 .07

ATOM 1581 O HIS B 100 40 .831 41 .555 13 .448 1.00 10 .38 ri ATOM 1582 N PHE B 101 40 .779 41 .238 11 .222 1.00 9 .14 B ATOM 1583 CA PHE B 101 39 .329 41 .262 11 .118 1.00 10 .34

ATOM 1584 CB PHE B 101 38 .867 42 .379 10 .176 1.00 11 .44

ATOM 1585 CG PHE B 101 39 .027 43 .759 10 .725 1.00 13 .92 n ATOM 1586 CDl PHE B 101 38 .072 44 .294 11 .586 1.00 14 .53 B ATOM 1587 CD2 PHE B 101 40 .116 44 .540 10 .358 1.00 14 .06 B ATOM 1588 CEl PHE B 101 38 .198 45 .592 12 .067 1.00 17 .16

ATOM 1589 CE2 PHE B 101 40 .251 45 .841 10 .836 1.00 16 .56 B ATOM 1590 CZ PHE B 101 39 .292 46 .365 11 .690 1.00 16 .49 rS

ATOM 1591 C PHE B 101 38 .860 39 .962 10 .500 1.00 11 .00 B ATOM 1592 O PHE B 101 39 .522 39 .425 9 .612 1.00 12 .07

ATOM 1593 N VAL B 102 37 .724 39 .460 10 .970 1.00 10 .49

JrS ATOM 1594 CA VAL B 102 37 .123 38 .280 10 .373 1.00 11 .30 B ATOM 1595 CB VAL B 102 37 .281 36 .997 11 .211 1.00 11 .47

B ATOM 1596 CGl VAL B 102 36 .599 35 .836 10 .482 1.00 14 .46

ATOM 1597 CG2 VAL B 102 38 .754 36 .679 11 .417 1.00 13 .25

±r>

ATOM 1598 C VAL B 102 35 .635 38 .567 10 .241 1.00 11 .43

JIS

ATOM 1599 O VAL B 102 34 .980 38 .961 11 .207 1.00 11 .57

JzS

ATOM 1600 N ASP B 103 35 .124 38 .407 9 .028 1.00 10 .65

R

ATOM 1601 CA ASP B 103 33 .713 38 .609 8 .746 1.00 12 .06

ATOM 1602 CB ASP B 103 33 .531 39 .291 7 .390 1.00 12 .74 B 243

ATOM 1603 CG ASP B 103 33.411 40 .788 7 .502 1 .00 15 .44

B

ATOM 1604 ODl ASP B 103 32.481 41 .255 8 .192 1 .00 15 .69

B

ATOM 1605 OD2 ASP B 103 34.236 41 .504 6 .897 1 .00 19 .10

B

ATOM 1606 C ASP B 103 33.044 37 .244 8 .692 1 .00 13 .86

B

ATOM 1607 O ASP B 103 33.448 36 .381 7 .909 1 .00 18 .59

B

ATOM 1608 N TYR B 104 32.036 37 .039 9 .529 1 .00 12 .81

B

ATOM 1609 CA TYR B 104 31.316 35 .777 9 .527 1 .00 13 .24

B

ATOM 1610 CB TYR B 104 31.341 35 .126 10 .913 1 .00 14 .76

B

ATOM 1611 CG TYR B 104 32.564 34 .287 11 .172 1 .00 17 .09

D

ATOM 1612 CDl TYR B 104 33.519 34 .677 12 .099 1 .00 20 .60

B

ATOM 1613 CEl TYR B 104 34.664 33 .912 12 .313 1 .00 16 .21

B

ATOM 1614 CD2 TYR B 104 32.775 33 .107 10 .460 1 .00 19 .80

B

ATOM 1615 CE2 TYR B 104 33.908 32 .339 10 .662 1 .00 20 .00

B

ATOM 1616 CZ TYR B 104 34.848 32 .749 11 .590 1 .00 20 .82

"R

ATOM 1617 OH TYR B 104 35.971 31 .986 11 .778 1 .00 21 .92 π £5

ATOM 1618 C TYR B 104 29.868 35 .969 9 .123 1 .00 13 .08 πr$

ATOM 1619 O TYR B 104 29.270 37 .016 9 .370 1 .00 13 .83

B

ATOM 1620 N MET B 105 29.316 34 .954 8 .473 1 .00 13 .55

B

ATOM 1621 CA MET B 105 27.911 34 .966 8 .097 1 .00 14 .51

B

ATOM 1622 CB MET B 105 27.740 34 .844 6 .583 1 .00 16 .62

B

ATOM 1623 CG MET B 105 26.287 34 .857 6 .124 1 .00 21 .59 π £5

ATOM 1624 SD MET B 105 25.397 36 .348 6 .629 1 .00 25 .65

B

ATOM 1625 CE MET B 105 26.104 37 .557 5 .535 1 .00 24 .86

B

ATOM 1626 C MET B 105 27.383 33 .719 8 .788 1 .00 14 .75

B

ATOM 1627 O MET B 105 27.704 32 .600 8 .389 1 .00 16 .75

B

ATOM 1628 N LEU B 106 26.600 33 .904 9 .843 1 .00 12 .32

B

ATOM 1629 CA LEU B 106 26.074 32 .764 10 .572 1 .00 13 .14

B

ATOM 1630 CB LEU B 106 25.972 33 .085 12 .066 1 .00 13 .16

B 244

ATOM 1631 CG LEU B 106 25. 271 32 .031 12 .936 1. .00 14 .65

B

ATOM 1632 CDl LEU B 106 26. 065 30 .725 12 .936 1. 00 15 .34

B

ATOM 1633 CD2 LEU B 106 25. 129 32 .562 14 .358 1. 00 14 .95

B

ATOM 1634 C LEU B 106 24. 715 32 .326 10 .067 1. 00 12 .68

B

ATOM 1635 O LEU B 106 23. 791 33 .131 9 .960 1. 00 13 .29

B

ATOM 1636 N GLU B 107 24. 612 31 .044 9 .730 1. 00 12 .95

B

ATOM 1637 CA GLU B 107 23. 349 30 .473 9 .295 1. 00 13 .72

B

ATOM 1638 CB GLU B 107 23. 500 29 .647 8 .008 1. 00 14 .45

B

ATOM 1639 CG GLU B 107 22. 221 28 .859 7 .671 1. 00 15 .89

R .D

ATOM 1640 CD GLU B 107 22. 342 27 .958 6 .449 1. 00 18 .23

B

ATOM 1641 OEl GLU B 107 23. 406 27 .954 5 .799 1. 00 21 .16

B

ATOM 1642 OE2 GLU B 107 21. 355 27 .251 6 .138 1. 00 17 .11

B

ATOM 1643 C GLU B 107 22. 892 29 .545 10 .413 1. 00 14 .49 π ATOM 1644 O GLU B 107 23. 565 28 .558 10 .712 1. 00 16 .23

B

ATOM 1645 N VAL B 108 21. 770 29 .870 11 .045 1. 00 13 .79

B

ATOM 1646 CA VAL B 108 21. 238 29 .010 12 .098 1. 00 14 .39

B

ATOM 1647 CB VAL B 108 20. 806 29 .813 13 .342 1. 00 15 .60

B

ATOM 1648 CGl VAL B 108 20. 188 28 .870 14 .382 1. 00 15 .12

B

ATOM 1649 CG2 VAL B 108 22. 003 30 .529 13 .938 1. 00 16 .20 a

ATOM 1650 C VAL B 108 20. 021 28 .295 11 .527 1. 00 14 .45

ATOM 1651 O VAL B 108 19. 032 28 .931 11 .157 1. 00 15 .29

B

ATOM 1652 N LYS B 109 20. 109 26 .972 11 .437 1. 00 15 .71

B

ATOM 1653 CA LYS B 109 19. 011 26 .171 10 .906 1. 00 17 .55

ATOM 1654 CB LYS B 109 19. 546 24 .896 10 .244 1. 00 18 .10

B

ATOM 1655 CG LYS B 109 20. 517 25 .114 9 .098 1. 00 21 .12

B

ATOM 1656 CD LYS B 109 21. 060 23 .782 8 .595 1. 00 26 .44

B

ATOM 1657 CE LYS B 109 22. 040 23 .980 7 .450 1. 00 27 .92

B

ATOM 1658 NZ LYS B 109 22. 652 22 .691 7 .017 1. 00 32 .27

B 245

ATOM 1659 C LYS B 109 18 .075 25 .765 12 .034 1. .00 18 .11

B

ATOM 1660 O LYS B 109 18 .516 25 .517 13 .154 1. .00 17 .95

B

ATOM 1661 N PRO B 110 16 .763 25 .711 11 .760 1. 00 18 .39

B

ATOM 1662 CD PRO B 110 16 .039 26 .082 10 .532 1. 00 19 .84

J_5

ATOM 1663 CA PRO B 110 15 .833 25 .307 12 .820 1. 00 19 .18

B

ATOM 1664 CB PRO B 110 14 .469 25 .647 12 .226 1. 00 19 .89

B

ATOM 1665 CG PRO B 110 14 .688 25 .438 10 .757 1. 00 20 .84

B

ATOM 1666 C PRO B 110 16 .023 23 .802 13 .045 1. 00 19 .21

£5

ATOM 1667 O PRO B 110 16 .496 23 .102 12 .149 1. 00 18 .33

B

ATOM 1668 N GLU B 111 15 .683 23 .304 14 .230 1. 00 20 .28

B

ATOM 1669 CA GLU B 111 15 .846 21 .874 14 .503 1. 00 21 .45

B

ATOM 1670 CB GLU B 111 15 .493 21 .546 15 .952 00 24 .20

B

ATOM 1671 CG GLU B 111 16 .521 22 .014 16 .966 1. 00 29 .07

B

ATOM 1672 CD GLU B 111 16 .334 21, .355 18 .318 1. 00 32 .45

D

ATOM 1673 OEl GLU B 111 15 .288 20. ,701 18 .520 1. 00 34 .63

B

ATOM 1674 OE2 GLU B 111 17 .227 21. .492 19 .179 1. 00 33 .76

B

ATOM 1675 C GLU B 111 14 .980 21. 040 13 .573 1. 00 20 .99

B

ATOM 1676 O GLU B 111 15 .263 19. 865 13 .328 1. 00 19 .04

B

ATOM 1677 N LEU B 112 13 .921 21. 663 13 .070 1. 00 21 .77

B

ATOM 1678 CA LEU B 112 12 .994 21. 028 12 .143 1. 00 21 .91

B

ATOM 1679 CB LEU B 112 11 .748 20. 527 12 .880 1. 00 22 .85

B

ATOM 1680 CG LEU B 112 10 .585 20. 082 11 .984 1. 00 23 .22

B

ATOM 1681 CDl LEU B 112 11 .002 18. 880 11 .153 1. 00 22 .92

B

ATOM 1682 CD2 LEU B 112 9 .376 19. 748 12 .842 1. 00 24 .10

B

ATOM 1683 C LEU B 112 12 .577 22. 060 11 .109 1. 00 22 .70

B

ATOM 1684 O LEU B 112 12 .173 23. 166 11 .463 1. 00 21 .87

B

ATOM 1685 N VAL B 113 12 .690 21. 707 9 .833 1. 00 23 .14

B

ATOM 1686 CA VAL B 113 12 .282 22. 619 8 .776 1. 00 25 .76

B 246

ATOM 1687 CB VAL B 113 13 .112 22 .419 7 .492 1 .00 24 .30

B

ATOM 1688 CGl VAL B 113 12 .636 23 .383 6 .414 1 .00 23 .92

B

ATOM 1689 CG2 VAL B 113 14 .588 22 .654 7 .790 1 .00 23 .91

B

ATOM 1690 C VAL B 113 10 .815 22 .331 8 .487 1 .00 27 .98

B

ATOM 1691 O VAL B 113 10 .477 21 .297 7 .906 1 .00 28 .37

B

ATOM 1692 N PRO B 114 9 .925 23 .245 8 .909 1 .00 30 .46 a ATOM 1693 CD PRO B 114 10 .284 24 .522 9 .551 1 .00 31 .40

B

ATOM 1694 CA PRO B 114 8 .474 23 .152 8 .733 1 .00 32 .22

B

ATOM 1695 CB PRO B 114 8 .001 24 .562 9 .063 1 .00 32 .32

B

ATOM 1696 CG PRO B 114 8 .960 24 .984 10 .117 1 .00 33 .16

B

ATOM 1697 C PRO B 114 8 .057 22 .717 7 .336 1 .00 33 .23

B

ATOM 1698 O PRO B 114 8 .708 23 .058 6 .346 1 .00 30 .96

B

ATOM 1699 N ARG B 115 6 .958 21 .969 7 .281 1 .00 35 .29

B

ATOM 1700 CA ARG B 115 6 .396 21 .452 6 .040 1 .00 37 .45

B

ATOM 1701 CB ARG B 115 6 .541 22 .471 4 .907 1 .00 37 .60

B

ATOM 1702 CG ARG B 115 5 .920 23 .830 5 .181 1, .00 37 .79

B

ATOM 1703 CD ARG B 115 6 .002 24 .675 3 .929 1. , 00 38 .62

B

ATOM 1704 NE ARG B 115 5 .293 24 .030 2 .828 1. .00 40 .75

D

ATOM 1705 CZ ARG B 115 5 .740 23 .969 1 .578 1. 00 40 .67

B

ATOM 1706 NHl ARG B 115 6 .906 24 .516 1 .258 1. 00 41 .65

B

ATOM 1707 NH2 ARG B 115 5 .020 23 .355 0 .650 1. 00 40 .40

B

ATOM 1708 C ARG B 115 7 .041 20 .135 5 .625 1. 00 38 .52

B

ATOM 1709 O ARG B 115 6 .283 19 .222 5 .239 1. 00 40 .12

B

ATOM 1710 OXT ARG B 115 8 .288 20 .033 5 .673 1. 00 39 .53

B

ATOM 1711 O HOH S 1 42 .752 40 .529 -5 .693 1. 00 13 .15

S

ATOM 1712 O HOH S 2 44 .617 33 .723 0 . Ill 1. 00 11 .25

S

ATOM 1713 O HOH S 3 52 .456 12 .126 3 .416 1. 00 12 .97

S

ATOM 1714 O HOH S 4 40 .339 23. .492 4 .718 1. 00 10 .55

S 247

ATOM 1715 O HOH S 5 47. .325 38 .452 13 .053 1 .00 11 .02

D

ATOM 1716 O HOH S 6 40, .243 26 .712 3 .109 1 .00 12 .03 b ATOM 1717 O HOH S 7 44. .267 37 .600 23 .331 1 .00 13 .95

O

ATOM 1718 O HOH S 8 42. ,794 40 .249 9 .107 1 .00 12 .84

D

ATOM 1719 O HOH S 9 34. ,729 29 .904 22 .296 1 .00 15 .69 fa

ATOM 1720 O HOH S 10 52. 487 17 .570 8 .150 1 .00 16 .98

S ATOM 1721 O HOH S 11 42. 079 39 .414 22 .981 1 .00 13 .56

ATOM 1722 O HOH S 12 19. 205 37 .922 12 .683 1 .00 13 .42 b

ATOM 1723 O HOH S 13 38. 798 41 .278 -6 .049 1 .00 17 .18 b ATOM 1724 O HOH S 14 53. 865 13 . Ill 8 .138 1 .00 21 .58

ATOM 1725 O HOH S 15 49. 358 38 .028 14 .873 1 .00 13 .90

O

ATOM 1726 O HOH S 16 19. 885 31 .430 9 .692 1 .00 20 .66

S ATOM 1727 O HOH S 17 53. 421 15 .318 4 .297 1 .00 16 .82

ATOM 1728 O HOH S 18 55. 654 32 .555 16 .331 1 .00 21 .65

O

ATOM 1729 O HOH S 19 14. 829 29 .526 16 .608 1 .00 22, .50 S ATOM 1730 O HOH S 20 14. 505 33 .457 16 .440 1 .00 23. .14

D

ATOM 1731 O HOH S 21 47. 996 41 .009 12 .388 1 .00 15, ,15

ATOM 1732 O HOH S 22 39. 194 18 .334 9 .187 1 .00 19. ,97 fa

ATOM 1733 O HOH S 23 41. 942 34 .525 -0 .139 1 .00 10. 07 S ATOM 1734 O HOH S 24 38. 468 25 .266 -1 .707 1 .00 20. 04

ATOM 1735 O HOH S 25 33. 053 43 .798 6 .428 1 .00 27. 90 fa

ATOM 1736 O HOH S 26 48. 134 31 .733 17 .195 1 .00 15. 63 S ATOM 1737 O HOH S 27 41. 216 41 .449 7 .015 1 .00 15. 32 S ATOM 1738 O HOH S 28 53. 324 27 .638 15 .409 1 .00 20. 88

D

ATOM 1739 O HOH S 29 46. 091 22 .310 -1 .948 1 .00 17. 10 b ATOM 1740 O HOH S 30 38. 097 30 .810 -4 .212 1 .00 18. 14 fa

ATOM 1741 O HOH S 31 23. 049 37 .001 18 .391 1 .00 18. 43 S ATOM 1742 O HOH S 32 43. 486 22 .727 -1 .859 1, .00 15. 72 S 248

ATOM 1743 O HOH S 33 45 .502 48 .072 11 .445 1, , 00 17 .64 b

ATOM 1744 O HOH S 34 34 .688 40 .222 4 .191 1. , 00 22 .60 S ATOM 1745 O HOH S 35 37 .896 31 .735 22 .926 1, , 00 15 .38

Q

O

ATOM 1746 O HOH S 36 51 .766 46 .393 9 .831 1. 00 24 .27

&

ATOM 1747 O HOH S 37 18 .450 33 .691 10 .165 1. 00 17 .49 b ATOM 1748 O HOH S 38 47 .053 7 .781 8 .747 1. 00 23 .52 b

ATOM 1749 O HOH S 39 23 .647 28 .124 2 .827 1. 00 19 .75 S ATOM 1750 O HOH S 40 35 .569 37 .734 4 .162 1. 00 15 .98 S ATOM 1751 O HOH S 41 52 .181 33 .014 18 .962 1. 00 23 .57 S ATOM 1752 O HOH S 42 33 .348 34 .106 28 .196 1. 00 25 .46 b

ATOM 1753 O HOH S 43 42 .473 27 .459 22 .889 1. 00 21 .54 b

ATOM 1754 O HOH S 44 37 .578 42 .648 -1 .653 1. 00 23 .45 S ATOM 1755 O HOH S 45 23 .275 39 .369 12 .159 1. 00 16 .90 S ATOM 1756 O HOH S 46 44 .109 25, .310 -7 .254 1. 00 19 .15 S ATOM 1757 O HOH S 47 45 .296 41. ,415 9 .607 1. 00 19. .96 b

ATOM 1758 O HOH S 48 46 .512 43. ,468 26 .276 1. 00 24. ,68 S ATOM 1759 O HOH S 49 36 .042 36. 753 6, .810 1. 00 13. ,55 S ATOM 1760 O HOH S 50 38 .539 15. 836 4 , ,577 1. 00 33. 95

O Q

ATOM 1761 O HOH S 51 17 .735 21. 348 10. ,246 1. 00 30. 97 S ATOM 1762 O HOH S 52 25 .141 24. 300 16. 339 1. 00 27. 57 S ATOM 1763 O HOH S 53 35 .621 38. 137 -1. 200 1. 00 23. 23 S ATOM 1764 O HOH S 54 51 .445 14. 209 17. 018 1. 00 17. 60 S ATOM 1765 O HOH S 55 50 .700 27. 545 -9. 977 1. 00 31. 74

ATOM 1766 O HOH S 56 49 .549 32. 593 19. 733 1. 00 19. 89 b

ATOM 1767 O HOH S 57 39 .625 19. 367 12. 544 1. 00 26. 05 S ATOM 1768 O HOH S 58 46 .128 17. 358 -5. 347 1. 00 22. 08 S ATOM 1769 O HOH S 59 30 .169 25. 452 19. 759 1. 00 28. 30 S ATOM 1770 O HOH S 60 30 .232 39. 846 8. 622 1. 00 19. 71 S 249

ATOM 1771 O HOH S 61 52 .029 43 .838 8 .364 1. .00 23 .05

Q

ATOM 1772 O HOH S 62 19 .149 25 .996 4 .863 1 _c .00 22 .04 b

ATOM 1773 O HOH S 63 56 .068 21 .232 12 .122 1. .00 22 .62

ATOM 1774 O HOH S 64 41 .684 24 .260 -2 .973 1. , 00 28 .86

O

ATOM 1775 O HOH S 65 36 .538 45 .670 -0 .135 1. ,00 24 .00 S ATOM 1776 O HOH S 66 37 .268 21 .588 7 .149 1. 00 35 .88

O Q

ATOM 1777 O HOH S 67 41 .492 31 .952 28 .541 1. 00 24 .97 S ATOM 1778 O HOH S 68 41 .560 12 .329 5 .343 1. 00 22 .15

O

ATOM 1779 O HOH S 69 43 .857 1 .355 17 .686 1. 00 38 .58 S ATOM 1780 O HOH S 70 50 .384 41 .046 -0 .687 1. 00 26 .55 b

ATOM 1781 O HOH S 71 37 .785 17 .437 6 .802 1. 00 23 .57 b ATOM 1782 O HOH S 72 50 .368 40 .454 13 .925 1. 00 15 .82

O

ATOM 1783 O HOH S 73 34 .362 28 .640 3 .637 1. 00 16 .08 S ATOM 1784 O HOH S 74 48 .135 6 .109 10 .649 1. 00 25 .30 S ATOM 1785 O HOH S 75 36 .967 25 .838 7 .379 1. 00 24 .73 S ATOM 1786 O HOH S 76 38 .107 27 .419 17 .179 1. 00 35 .77 b ATOM 1787 O HOH S 77 41 .259 48 .087 5 .243 1. 00 21 .25 b C ATOM 1788 O HOH S 78 37 .783 23 .958 5 .752 1. 00 28 .42 b

ATOM 1789 O HOH S 79 51 .595 42 .032 10 .673 1. 00 21 .10 S ATOM 1790 O HOH S 80 36 .200 27 .579 21 .600 1. 00 28 .30 S ATOM 1791 O HOH S 81 38 .144 27 .131 19 .899 1. 00 26 .88 S ATOM 1792 O HOH S 82 38 .201 30 .886 28 .033 1. 00 24 .43 S ATOM 1793 O HOH S 83 52 .969 44 .957 3 .491 1. 00 32 .97 S ATOM 1794 O HOH S 84 30 .256 25 .433 15 .872 1. 00 28 .03

ATOM 1795 O HOH S 85 48 .272 33 .972 -10 .186 1. 00 29 .48

Oq

ATOM 1796 O HOH S 86 49 .687 14 .185 -6 .676 1. 00 26 .89 S ATOM 1797 O HOH S 87 57 .771 27 .710 7 .329 1. 00 25 .48

O

ATOM 1798 O HOH S 88 37 .485 35. .253 30 .360 1. 00 23 .39 S 250

ATOM 1799 O HOH S 89 14 .271 25 .110 15. 999 1. 00 29 .47

O

ATOM 1800 O HOH S 90 45 .070 21 .000 -5. 416 1. 00 29 .82

O

ATOM 1801 O HOH S 91 36 .148 41 .071 -5. 357 1. 00 26 .67

S ATOM 1802 O HOH S 92 17 .318 28 .053 21. 362 1. 00 26 .07

O

ATOM 1803 O HOH S 93 34 .166 25 .773 20. 957 1. 00 38 .59 b

ATOM 1804 O HOH S 94 48 .843 28 .909 -11. 232 1. 00 32 .87 b ATOM 1805 O HOH S 95 57 .451 30 .552 0. 539 1. 00 45 .92

D C

ATOM 1806 O HOH S 96 43 .786 33 .509 28. 821 1. 00 29 .36

O

ATOM 1807 O HOH S 97 29 .928 25 .475 9. 873 1. 00 29 .24 S ATOM 1808 O HOH S 98 51 .048 44 .469 20. 277 1. 00 30 .90

O G

ATOM 1809 O HOH S 99 16 .937 18 .778 9. 217 1. 00 41 .20

O

ATOM 1810 O HOH S 100 28 .722 25 .382 24. 766 1. 00 37 .28

On

ATOM 1811 O HOH S 101 13 .795 19 .199 8. 942 1. 00 32 .53

D

ATOM 1812 O HOH S 102 18 .207 31 .583 23. 240 1. 00 38 .47 b

ATOM 1813 O HOH S 103 53 .153 31 .842 -8. 143 1. 00 48 .16

D

ATOM 1814 O HOH S 104 41 .921 14 .499 13. 276 1. 00 29 .89

D

ATOM 1815 O HOH S 105 51 .949 42 .259 24. 335 1. 00 26 .75

O C

ATOM 1816 O HOH S 106 26 .016 40 .533 2. 640 1. 00 40 .26 b

ATOM 1817 O HOH S 107 35 .836 33 .475 29. 034 1. 00 30 .78 S ATOM 1818 O HOH S 108 12 .407 23 .618 14. 986 1. 00 53 .69

D

ATOM 1819 O HOH S 109 49 .796 40 .646 - 3 321 1. 00 34 .01

O

ATOM 1820 O HOH S 110 32 .877 51 .831 7. 717 1. 00 37 .62 S ATOM 1821 O HOH S 111 32 .522 26 .408 13. 885 1. 00 42 .19

O

ATOM 1822 O HOH S 112 43 .479 45 .540 9. 132 1. 00 31 .06

Q

O

ATOM 1823 O HOH S 113 21 .806 25 .545 4. 138 1. 00 43 .00

O

ATOM 1824 O HOH S 114 48 .779 36 .784 -14. 986 1. 00 29 .96 S ATOM 1825 O HOH S 115 23 .281 37 .246 30. 857 1. 00 34 .16 S ATOM 1826 O HOH S 116 24 .151 26 .028 24. 068 1. 00 34 .35 S 251

ATOM 1827 O HOH S 117 53.245 17.660 -4.196 1.00 53.07

S

ATOM 1828 O HOH S 118 45.594 47.489 20.978 1.00 34.29

S

ATOM 1829 O HOH S 119 43.221 6.514 6.536 1.00 33.35

S

ATOM 1830 O HOH S 120 37.698 26.668 9.757 1.00 36.66

S

ATOM 1831 O HOH S 121 43.682 22.583 -7.273 1.00 35.10

S

ATOM 1832 O HOH S 122 57.267 20.601 -0.894 1.00 63.30

S

ATOM 1833 O HOH S 123 53.900 38.230 23.061 1.00 43.80

S

ATOM 1834 O HOH S 124 41.470 20.568 19.067 1.00 38.34

S

ATOM 1835 O HOH S 125 29.218 45.885 16.721 1.00 43.69

S

ATOM 1836 O HOH S 126 32.596 47.517 6.097 1.00 37.88

S

ATOM 1837 C ACY L 1 41.593 33.232 12.161 1.00 11.35

L

ATOM 1838 O ACY L 1 42.471 33.369 11.338 1.00 9.78

L

ATOM 1839 OXT ACY L 1 41.155 34.279 12.854 1.00 10.17

L

ATOM 1840 CH3 ACY L 1 40.993 31.871 12.403 1.00 12.37

L

END

252

Tim 3

REMARK Produced by MODELLER:

REMARK MODELLER OBJECTIVE FUNCTION: 680.7192

ATOM 1 N GLU 1 -13.025 28.253 21.258 1.00 0.44

ISG 2

ATOM 2 CA GLU 1 -14.277 27.973 21.995 1.00 0.44

ISG 3

ATOM 3 CB GLU 1 -15.070 29.277 22.170 1.00 0.44

ISG 4

ATOM 4 CG GLU 1 -16.365 29.140 22.973 1.00 0.44

ISG 5

ATOM 5 CD GLU 1 -17.005 30.521 23.034 1.00 0.44

ISG 6

ATOM 6 OEl GLU 1 -17.274 31.100 21.944 1.00 0.44

ISG 7

ATOM 7 OE2 GLU 1 -17.227 31.017 24.168 1.00 0.44

ISG 8

ATOM 8 C GLU 1 -15.092 27.024 21.192 1.00 0.44

ISG 9

ATOM 9 O GLU 1 -15.480 27.329 20.066 1.00 0.44

ISG 10

ATOM 10 N ASN 2 -15.358 25.824 21.737 1.00 0.37

ISG 11

ATOM 11 CA ASN 2 -16.165 24.945 20.954 1.00 0.37

ISG 12

ATOM 12 CB ASN 2 -15.524 23.576 20.634 1.00 0.37

ISG 13

ATOM 13 CG ASN 2 -14.963 22.901 21.869 1.00 0.37

ISG 14

ATOM 14 ODl ASN 2 -14.607 23.554 22.851 1.00 0.37

ISG 15

ATOM 15 ND2 ASN 2 -14.849 21.545 21.806 1.00 0.37

ISG 16

ATOM 16 C ASN 2 -17.526 24.852 21.557 1.00 0.37

ISG 17

ATOM 17 O ASN 2 -17.695 24.591 22.748 1.00 0.37

ISG 18

ATOM 18 N ALA 3 -18.545 25.108 20.712 1.00 0.27

ISG 19

ATOM 19 CA ALA 3 -19.894 25.173 21.180 1.00 0.27

ISG 20

ATOM 20 CB ALA 3 -20.735 26.261 20.497 1.00 0.27

ISG 21

ATOM 21 C ALA 3 -20.559 23.870 20.933 1.00 0.27

ISG 22

ATOM 22 O ALA 3 -20.325 23.205 19.923 1.00 0.27

ISG 23

ATOM 23 N TYR 4 -21.407 23.467 21.894 1.00 0.25

ISG 24

ATOM 24 CA TYR 4 -22.075 22.222 21.728 1.00 0.25

ISG 25

ATOM 25 CB TYR 4 -21.497 21.132 22.648 1.00 0.25

ISG 26

ATOM 26 CG TYR 4 -21.751 19.846 21.954 1.00 0.25

ISG 27 253

ATOM 27 CDl TYR 4 -23 .000 19. .281 21 .943 1 .00 0 .25

ISG 28

ATOM 28 CD2 TYR 4 -20 .718 19, .212 21 .300 1 .00 0 .25

ISG 29

ATOM 29 CEl TYR 4 -23 .202 18. , 091 21 .290 1 .00 0 .25

ISG 30

ATOM 30 CE2 TYR 4 -20 .919 18. ,019 20 .646 1 .00 0 .25

ISG 31

ATOM 31 CZ TYR 4 -22 .172 17. 459 20 .637 1 .00 0 .25

ISG 32

ATOM 32 OH TYR 4 -22 .402 16. 236 19 .971 1 .00 0 .25

ISG 33

ATOM 33 C TYR 4 -23 .506 22. 484 22 .092 1 .00 0 .25

ISG 34

ATOM 34 O TYR 4 -23 .793 23. 282 22 .983 1 .00 0 .25

ISG 35

ATOM 35 N VAL 5 -24 .458 21. 851 21 .380 1 .00 0 .29

ISG 36

ATOM 36 CA VAL 5 -25 .831 22. 094 21 .714 1 .00 0 .29

ISG 37

ATOM 37 CB VAL 5 -26 .635 22. 656 20 .577 1 .00 0 .29

ISG 38

ATOM 38 CGl VAL 5 -28 .104 22. 785 21 .018 1. .00 0 .29

ISG 39

ATOM 39 CG2 VAL 5 -26 .000 23. 986 20 .144 1 .00 0 .29

ISG 40

ATOM 40 C VAL 5 -26 .456 20. 788 22, .081 1, .00 0 .29

ISG 41

ATOM 41 O VAL 5 -26 .216 19. 770 21. ,435 1 , , 00 0, .29

ISG 42

ATOM 42 N PHE 6 -27 .257 20. 772 23. ,163 1. ,00 0 , .42

ISG 43

ATOM 43 CA PHE 6 -27 .965 19. 560 23. 459 1. 00 0 , ,42

ISG 44

ATOM 44 CB PHE 6 -27 .317 18. 519 24. 386 1. 00 0. 42

ISG 45

ATOM 45 CG PHE 6 -26 .824 17. 455 23. 465 1. 00 0. 42

ISG 46

ATOM 46 CDl PHE 6 -27 .760 16. 702 22. 789 1. 00 0. 42

ISG 47

ATOM 47 CD2 PHE 6 -25 .489 17. 182 23. 284 1. 00 0. 42

ISG 48

ATOM 48 CEl PHE 6 -27 .390 15. 699 21. 928 1. 00 0. 42

ISG 49

ATOM 49 CE2 PHE 6 ^■25 .112 16. 174 22. 424 1. 00 0. 42

ISG 50

ATOM 50 CZ PHE 6 •26 .056 15. 439 21. 746 1. 00 0. 42

ISG 51

ATOM 51 C PHE 6 ^■29 .389 19. 784 23. 834 1. 00 0. 42

ISG 52

ATOM 52 O PHE 6 ^■29 .845 20. 913 24. 008 1. 00 0. 42

ISG 53

ATOM 53 N GLU 7 30 .130 18. 657 23. 922 1. 00 0. 38

ISG 54

ATOM 54 CA GLU 7 31 .546 18. 649 24. 161 1. 00 0. 38

ISG 55 254

ATOM 55 CB GLU 7 -32 .299 17 .690 23 .219 1 .00 0 .38

ISG 56

ATOM 56 CG GLU 7 -32 .206 18 .080 21 .745 1 .00 0 .38

ISG 57

ATOM 57 CD GLU 7 -33 .246 19 .155 21 .473 1 .00 0 .38

ISG 58

ATOM 58 OEl GLU 7 -34 .442 18 .785 21 .330 1 .00 0 .38

ISG 59

ATOM 59 OE2 GLU 7 -32 .866 20 .355 21 .409 1 .00 0 .38

ISG 60

ATOM 60 C GLU 7 -31 .816 18 .149 25 .545 1 .00 0 .38

ISG 61

ATOM 61 O GLU 7 -31 .254 17 .145 25 .980 1 .00 0 .38

ISG 62

ATOM 62 N VAL 8 -32 .726 18 .836 26 .265 1 .00 0 .18

ISG 63

ATOM 63 CA VAL 8 -33 .050 18 .467 27 .611 1 .00 0 .18

ISG 64

ATOM 64 CB VAL 8 -34 .076 19 .371 28 .240 1 .00 0 .18

ISG 65

ATOM 65 CGl VAL 8 -34 .444 18, .798 29 .621 1 .00 0 .18

ISG 66

ATOM 66 CG2 VAL 8 -33 .529 20 .807 28 .280 1 .00 0 .18

ISG 67

ATOM 67 C VAL 8 -33, .620 17, .086 27 , 613 1 .00 0 .18

ISG 68

ATOM 68 O VAL 8 -34. .384 16. ,712 26, .725 1, .00 0. .18

ISG 69

ATOM 69 N GLY 9 -33. .236 16. ,283 28, .623 1 , .00 0 .17

ISG 70

ATOM 70 CA GLY 9 -33. ,761 14. 961 28. ,779 1. , 00 0 .17

ISG 71

ATOM 71 C GLY 9 -32. 889 13. 987 28. 057 1. 00 0 , .17

ISG 72

ATOM 72 O GLY 9 -33. 058 12. 778 28. 210 1. 00 0. ,17

ISG 73

ATOM 73 N LYS 10 -31. 920 14. 480 27. 259 1. 00 0. ,26

ISG 74

ATOM 74 CA LYS 10 -31. 096 13. 565 26. 520 1. 00 0. 26

ISG 75

ATOM 75 CB LYS 10 •31. 214 13. 747 24. 998 1. 00 0. 26

ISG 76

ATOM 76 CG LYS 10 ^■32. 640 13. 459 24. 525 1. 00 0. 26

ISG 77

ATOM 77 CD LYS 10 •32. 971 13. 972 23. 122 1. 00 0. 26

ISG 78

ATOM 78 CE LYS 10 •32. 480 13. 044 22. 009 1. 00 0. 26

ISG 79

ATOM 79 NZ LYS 10 33. 044 13. 465 20. 706 1. 00 0. 26

ISG 80

ATOM 80 C LYS 10 29. 675 13. 773 26. 938 1. 00 0. 26

ISG 81

ATOM 81 O LYS 10 29. 345 14. 790 27. 543 1. 00 0. 26

ISG 82

ATOM 82 N ASN 11 28. 802 12. 780 26. 660 1. 00 0. 24

ISG 83 255

ATOM 83 CA ASN 11 -27 .422 12 .853 27 .058 1 .00 0 .24

ISG 84

ATOM 84 CB ASN 11 -26 .688 11 .489 26 .964 1 .00 0 .24

ISG 85

ATOM 85 CG ASN 11 -27 .207 10 .499 28 .007 1 .00 0 .24

ISG 86

ATOM 86 ODl ASN 11 -26 .850 9 .321 27 .962 1 .00 0 .24

ISG 87

ATOM 87 ND2 ASN 11 -28 .061 10 .980 28 .949 1 .00 0 .24

ISG 88

ATOM 88 C ASN 11 -26 .739 13 .818 26 .141 1 .00 0 .24

ISG 89

ATOM 89 O ASN 11 -27 .029 13 .859 24 .951 1 .00 0 .24

ISG 90

ATOM 90 N ALA 12 -25 .825 14 .644 26 .681 1 .00 0 .27

ISG 91

ATOM 91 CA ALA 12 -25 .105 15 .587 25 .875 1 .00 0 .27

ISG 92

ATOM 92 CB ALA 12 -25 .172 17 .030 26 .408 1 .00 0 .27

ISG 93

ATOM 93 C ALA 12 -23 .669 15 .180 25 .917 1 .00 0 .27

ISG 94

ATOM 94 O ALA 12 -23 .197 14 .680 26 .936 1 .00 0 .27

ISG 95

ATOM 95 N TYR 13 -22 .933 15 .450 24 .823 1 .00 0 .47

ISG 96

ATOM 96 CA TYR 13 -21 .611 14 .917 24 .670 1 .00 0 .47

ISG 97

ATOM 97 CB TYR 13 -21 .659 14 .092 23. .366 1 .00 0 .47

ISG 98

ATOM 98 CG TYR 13 -20. .682 12. .978 23. ,329 1, .00 0 .47

ISG 99

ATOM 99 CDl TYR 13 -19. ,417 13. .134 23. , 820 1. ,00 0. .47

ISG 100

ATOM 100 CD2 TYR 13 -21. 085 11. .747 22. 858 1. 00 0. ,47

ISG 101

ATOM 101 CEl TYR 13 ^■18 . 548 12. 076 23. 782 1. 00 0. 47

ISG 102

ATOM 102 CE2 TYR 13 ^■20 . 219 10. 686 22. 813 1. 00 0. 47

ISG 103

ATOM 103 CZ TYR 13 ^■18 . 940 10. 855 23. 276 1. 00 0. 47

ISG 104

ATOM 104 OH TYR 13 ^■18 . 031 9. 771 23. 240 1. 00 0. 47

ISG 105

ATOM 105 C TYR 13 20. 670 16. 068 24. 404 1. 00 0. 47

ISG 106

ATOM 106 O TYR 13 20. 904 16. 811 23. 446 1. 00 0. 47

ISG 107

ATOM 107 N LEU 14 19. 590 16. 287 25. 199 1. 00 0. 48

ISG 108

ATOM 108 CA LEU 14 18. 661 17. 286 24. 730 1. 00 0. 48

ISG 109

ATOM 109 CB LEU 14 18. 412 18. 544 25. 607 1. 00 0. 48

ISG 110

ATOM 110 CG LEU 14 17. 977 .18. 363 27. 070 1. 00 0. 48

ISG 111 256

ATOM 111 CD2 LEU 14 -18 .846 17 .369 27 .845 1 .00 0 .48

ISG 112

ATOM 112 CDl LEU 14 -17 .876 19 .742 27 .757 1 .00 0 .48

ISG 113

ATOM 113 C LEU 14 -17 .382 16 .569 24 .448 1 .00 0 .48

ISG 114

ATOM 114 O LEU 14 -16 .684 16 .045 25 .319 1 .00 0 .48

ISG 115

ATOM 115 N PRO 15 -17 .117 16 .532 23 .181 1 .00 0 .48

ISG 116

ATOM 116 CA PRO 15 -16 .002 15 .788 22 .672 1 .00 0 .48

ISG 117

ATOM 117 CD PRO 15 -18 .171 16 .701 22 .194 1 .00 0 .48

ISG 118

ATOM 118 CB PRO 15 -16 .214 15 .721 21 .164 1 .00 0 .48

ISG 119

ATOM 119 CG PRO 15 -17 .737 15 .843 21 .001 1 .00 0 .48

ISG 120

ATOM 120 C PRO 15 -14 .688 16 .372 23 .048 1 .00 0 .48

ISG 121

ATOM 121 O PRO 15 ^■14 .527 17 .587 22 .953 1 .00 0 .48

ISG 122

ATOM 122 N CYS 16 -13 .731 15 .519 23 .458 1 .00 0 .66

ISG 123

ATOM 123 CA CYS 16 •12 .421 15 .978 23 .811 1 .00 0 .66

ISG 124

ATOM 124 CB CYS 16 •12 .349 16 .434 25 .293 1 .00 0 .66

ISG 125

ATOM 125 SG CYS 16 ^■10 . .742 17 .083 25. .859 1. .00 0 .66

ISG 126

ATOM 126 C CYS 16 ^■11. .538 14. .787 23. , 606 1. , 00 0 , .66

ISG 127

ATOM 127 O CYS 16 11. 724 13. , 757 24. 252 1. 00 0. ,66

ISG 128

ATOM 128 N SER 17 10. 570 14. 889 22. 674 1. 00 0. 52

ISG 129

ATOM 129 CA SER 17 -9. 708 13. 780 22. 379 1. 00 0. 52

ISG 130

ATOM 130 CB SER 17 -9. 984 13. 106 21. 022 1. 00 0. 52

ISG 131

ATOM 131 OG SER 17 11. 234 12. 440 21. 032 1. 00 0. 52

ISG 132

ATOM 132 C SER 17 -8. 307 14. 280 22. 282 1. 00 0. 52

ISG 133

ATOM 133 O SER 17 -8. 056 15. 470 22. 104 1. 00 0. 52

ISG 134

ATOM 134 N TYR 18 -7. 349 13. 346 22. 425 1. 00 0. 34

ISG 135

ATOM 135 CA TYR 18 -5. 958 13. 664 22. 334 1. 00 0. 34

ISG 136

ATOM 136 CB TYR 18 -5. 329 13. 995 23. 698 1. 00 0. 34

ISG 137

ATOM 137 CG TYR 18 -5. 618 12. 838 24. 587 1. 00 0. 34

ISG 138

ATOM 138 CDl TYR 18 -4. 805 11. 729 24. 577 1. 00 0. 34

ISG 139 257

ATOM 139 CD2 TYR 18 -6 .711 12 .851 25 .424 1 .00 0 .34

ISG 140

ATOM 140 CEl TYR 18 -5 .075 10 .657 25 .393 1 .00 0 .34

ISG 141

ATOM 141 CE2 TYR 18 -6 .980 11 .778 26 .242 1 .00 0 .34

ISG 142

ATOM 142 CZ TYR 18 -6 .162 10 .676 26 .228 1 .00 0 .34

ISG 143

ATOM 143 OH TYR 18 -6 .435 9 .572 27 .066 1 .00 0 .34

ISG 144

ATOM 144 C TYR 18 -5 .279 12 .463 21 .768 1 .00 0 .34

ISG 145

ATOM 145 O TYR 18 -5 .796 11 .347 21 .840 1 .00 0 .34

ISG 146

ATOM 146 N THR 19 -4 .082 12 .673 21 .191 1 .00 0 .54

ISG 147

ATOM 147 CA THR 19 -3 .383 11 .594 20 .568 1 .00 0 .54

ISG 148

ATOM 148 CB THR 19 -2 .520 12 .018 19 .417 1 .00 0 .54

ISG 149

ATOM 149 OGl THR 19 -2 .076 10 .872 18 .708 1 .00 0 .54

ISG 150

ATOM 150 CG2 THR 19 -1 .318 12 .818 19 .949 1 .00 0 .54

ISG 151

ATOM 151 C THR 19 -2 .503 10 .956 21 .588 1 .00 0 .54

ISG 152

ATOM 152 O THR 19 -1 .895 11 .622 22 .420 1 .00 0 .54

ISG 153

ATOM 153 N LEU 20 -2 .417 9, .617 21 .508 1. .00 0 .67

ISG 154

ATOM 154 CA LEU 20 -1 .694 8. , 778 22 .411 1, , 00 0 .67

ISG 155

ATOM 155 CB LEU 20 -2 .458 7. .467 22 .669 1. .00 0. .67

ISG 156

ATOM 156 CG LEU 20 -1. .774 6. 471 23. .622 00 0. .67

ISG 157

ATOM 157 CD2 LEU 20 -2. ,459 5. 096 23. .571 1. 00 0. 67

ISG 158

ATOM 158 CDl LEU 20 -1. 657 7. 028 25. , 044 1. 00 0. 67

ISG 159

ATOM 159 C LEU 20 -0. 414 8. 421 21. .732 1. 00 0. 67

ISG 160

ATOM 160 O LEU 20 0. 294 7. 510 22. 155 1. 00 0. 67

ISG 161

ATOM 161 N SER 21 -0. 062 9. 164 20. 671 1. 00 0. 62

ISG 162

ATOM 162 CA SER 21 1. 097 8. 793 19. 918 1. 00 0. 62

ISG 163

ATOM 163 CB SER 21 0. 893 8. 979 18. 405 1. 00 0. 62

ISG 164

ATOM 164 OG SER 21 2. 065 601 17. 696 1. 00 0. 62

ISG 165

ATOM 165 C SER 21 2. 266 9. 638 20. 320 1. 00 0. 62

ISG 166

ATOM 166 O SER 21 3. 387 9. 137 20. 401 1. 00 0. 62

ISG 167 258

ATOM 167 N THR 22 2 .053 10 .936 20 .598 1 .00 0 .60

ISG 168

ATOM 168 CA THR 22 3 .192 11 .759 20 .865 1 .00 0 .60

ISG 169

ATOM 169 CB THR 22 2 .921 13 .251 20 .817 1 .00 0 .60

ISG 170

ATOM 170 OGl THR 22 4 .073 13 .965 21 .238 1 .00 0 .60

ISG 171

ATOM 171 CG2 THR 22 1 .656 13 .670 21 .585 1 .00 0 .60

ISG 172

ATOM 172 C THR 22 3 .969 11 .319 22 .072 1 .00 0 .60

ISG 173

ATOM 173 O THR 22 5 .197 11 .375 22 .025 1 .00 0 .60

ISG 174

ATOM 174 N PRO 23 3 .409 10 .887 23 .157 1 .00 0 .42

ISG 175

ATOM 175 CA PRO 23 4 .350 10 .445 24 .149 1 .00 0 .42

ISG 176

ATOM 176 CD PRO 23 2 .430 11 .769 23 .773 1 .00 0 .42

ISG 177

ATOM 177 CB PRO 23 4 .306 11 .486 25 .260 1 .00 0 .42

ISG 178

ATOM 178 CG PRO 23 2 .831 11 .907 25 .248 1 .00 0 .42

ISG 179

ATOM 179 C PRO 23 3. .703 9. .194 24 .600 1 .00 0 .42

ISG 180

ATOM 180 O PRO 23 4. .137 8 .599 25, .585 1 .00 0 .42

ISG 181

ATOM 181 N GLY 24 2. ,668 8, .771 23 , .857 1 , .00 0, .25

ISG 182

ATOM 182 CA GLY 24 1. ,835 7. .766 24. .406 1. , 00 0 , .25

ISG 183

ATOM 183 C GLY 24 1. 080 8. ,637 25. 316 1. ,00 0. ,25

ISG 184

ATOM 184 O GLY 24 1. 447 8. 734 26. 486 1. 00 0. 25

ISG 185

ATOM 185 N ALA 25 0. 079 9. 348 24. 732 1. 00 0. 21

ISG 186

ATOM 186 CA ALA 25 0. 767 10. 349 25. 332 1. 00 0. 21

ISG 187

ATOM 187 CB ALA 25 2. 209 10. 353 24. 827 1. 00 0. 21

ISG 188

ATOM 188 C ALA 25 0. 845 10. 125 26. 782 1. 00 0. 21

ISG 189

ATOM 189 O ALA 25 0. 675 11. 081 27. 535 1. 00 0. 21

ISG 190

ATOM 190 N LEU 26 1. 054 8. 831 27. 135 1. 00 0. 30

ISG 191

ATOM 191 CA LEU 26 1. 114 8. 210 28. 420 1. 00 0. 30

ISG 192

ATOM 192 CB LEU 26 0. 077 7. 085 28. 547 1. 00 0. 30

ISG 193

ATOM 193 CG LEU 26 0. 281 5. 939 27. 540 1. 00 0. 30

ISG 194

ATOM 194 CD2 LEU 26 1. 710 5. 380 27. 604 1. 00 0. 30

ISG 195 259

ATOM 195 CDl LEU 26 0 .787 4 .848 27 .721 1. .00 0 .30

ISG 196

ATOM 196 C LEU 26 -0 .826 9 .211 29 .480 1. , 00 0 .30

ISG 197

ATOM 197 O LEU 26 0 .250 9 .202 30 .073 1. .00 0 .30

ISG 198

ATOM 198 N VAL 27 -1 .772 10 .142 29 .699 1. 00 0 .52

ISG 199

ATOM 199 CA VAL 27 -1 .556 11 .139 30 .699 1. 00 0 .52

ISG 200

ATOM 200 CB VAL 27 -0 .936 12 .418 30 .204 1. 00 0 .52

ISG 201

ATOM 201 CGl VAL 27 0 .513 12 .133 29 .765 1. 00 0 .52

ISG 202

ATOM 202 CG2 VAL 27 -1 .821 13 .017 29 .102 1. 00 0 .52

ISG 203

ATOM 203 C VAL 27 -2 .871 11 .460 31 .329 1. 00 0 .52

ISG 204

ATOM 204 O VAL 27 -3 .915 10 .906 30 .985 1. 00 0 .52

ISG 205

ATOM 205 N PRO 28 -2 .777 12 .322 32 .305 1. 00 0 .59

ISG 206

ATOM 206 CA PRO 28 -3 .944 12 .707 33 .054 1. 00 0 .59

ISG 207

ATOM 207 CD PRO 28 -1 .595 12 .271 33 .156 1. 00 0 .59

ISG 208

ATOM 208 CB PRO 28 -3 .434 13 .238 34 .393 1. 00 0 .59

ISG 209

ATOM 209 CG PRO 28 -2 .090 12 .518 34 .587 1. 00 0 .59

ISG 210

ATOM 210 C PRO 28 -4 .854 13 .689 32 .386 1. 00 0 .59

ISG 211

ATOM 211 O PRO 28 -4 .399 14 .455 31 .537 1. 00 0 .59

ISG 212

ATOM 212 N MET 29 -6 .152 13 .673 32 .768 1. 00 0 .54

ISG 213

ATOM 213 CA MET 29 -7 .090 14 .627 32 .257 1. 00 0 .54

ISG 214

ATOM 214 CB MET 29 -7 .850 14 .172 31 .003 1. 00 0 .54

ISG 215

ATOM 215 CG MET 29 •6 .917 14 .091 29 .797 1. 00 0 .54

ISG 216

ATOM 216 SD MET 29 .735 14 .043 28 .181 1. 00 0 .54

ISG 217

ATOM 217 CE MET 29 ^•8 .327 15 .758 28 .253 1. 00 0 .54

ISG 218

ATOM 218 C MET 29 8 .090 14 .965 33 .320 1. 00 0 .54

ISG 219

ATOM 219 O MET 29 8 .429 14 .144 34 .170 1. 00 0 .54

ISG 220

ATOM 220 N CYS 30 8 .573 16 .222 33 .297 1. 00 0 .46

ISG 221

ATOM 221 CA CYS 30 9 .546 16 .668 34 .250 1. 00 0 .46

ISG 222

ATOM 222 CB CYS 30 8 .968 17 .603 35 .318 1. 00 0 .46

ISG 223 260

ATOM 223 SG CYS 30 -10 .268 18 .153 36. 447 1. 00 0 .46

ISG 224

ATOM 224 C CYS 30 -10 .584 17 .460 33. 513 1. 00 0 .46

ISG 225

ATOM 225 O CYS 30 -10 .295 18 .065 32. 483 1. 00 0 .46

ISG 226

ATOM 226 N TRP 31 -11 .833 17 .460 34. 032 1. 00 0 .24

ISG 227

ATOM 227 CA TRP 31 -12 .916 18 .205 33. 444 1. 00 0 .24

ISG 228

ATOM 228 CB TRP 31 -14 .116 17 .340 33. 021 1. 00 0 .24

ISG 229

ATOM 229 CG TRP 31 -13 .895 16 .556 31. 751 1. 00 0 .24

ISG 230

ATOM 230 CD2 TRP 31 -14 .311 17 .035 30. 464 1. 00 0 .24

ISG 231

ATOM 231 CDl TRP 31 -13 .314 15 .341 31. 545 1. 00 0 .24

ISG 232

ATOM 232 NEl TRP 31 -13 .335 15 .035 30. 202 1. 00 0 .24

ISG 233

ATOM 233 CE2 TRP 31 -13 .947 16 .070 29. 527 1. 00 0 .24

ISG 234

ATOM 234 CE3 TRP 31 -14 .942 18 .185 30. 097 1. 00 0 .24

ISG 235

ATOM 235 CZ2 TRP 31 -14 .213 16 .243 28. 197 1. 00 0 .24

ISG 236

ATOM 236 CZ3 TRP 31 -15 .207 18 .356 28. 757 1. 00 0 .24

ISG 237

ATOM 237 CH2 TRP 31 -14 .850 17 .404 27. 825 1. 00 0 .24

ISG 238

ATOM 238 C TRP 31 -13 .417 19 .175 34. 469 1. 00 0 .24

ISG 239

ATOM 239 O TRP 31 -13 .381 18 .894 35. 666 1. 00 0 .24

ISG 240

ATOM 240 N GLY 32 -13 .897 20 .360 34. 031 1. 00 0 .10

ISG 241

ATOM 241 CA GLY 32 -14 .358 21 .300 35. 015 1. 00 0 .10

ISG 242

ATOM 242 C GLY 32 -15 .290 22 .297 34. 397 1. 00 0 .10

ISG 243

ATOM 243 O GLY 32 -15 .279 22 .528 33. 190 1. 00 0 .10

ISG 244

ATOM 244 N LYS 33 -16 .137 22 .919 35. 247 1. 00 0 .11

ISG 245

ATOM 245 CA LYS 33 ^■17 .054 23 .916 34. 778 1. 00 0 .11

ISG 246

ATOM 246 CB LYS 33 ^■18 .350 24 .032 35. 597 1. 00 0 .11

ISG 247

ATOM 247 CG LYS 33 -19 .310 22 .865 35. 370 1. 00 0 .11

ISG 248

ATOM 248 CD LYS 33 ^■20 .548 22 .898 36. 265 1. 00 0 .11

ISG 249

ATOM 249 CE LYS 33 ^■21 .585 21 .830 35. 910 1. 00 0 .11

ISG 250

ATOM 250 NZ LYS 33 22 .762 21 .943 36. 799 1. 00 0 .11

ISG 251 261

ATOM 251 C LYS 33 ^■16 . 361 25 .234 34 .831 1 .00 0 .11

ISG 252

ATOM 252 O LYS 33 •15. 493 25 .462 35 .671 1 .00 0 .11

ISG 253

ATOM 253 N GLY 34 ^■16. 742 26 .145 33 .919 1 .00 0 .21

ISG 254

ATOM 254 CA GLY 34 16. 115 27 .429 33 .862 1 .00 0 .21

ISG 255

ATOM 255 C GLY 34 15. 006 27 .314 32 .867 1 .00 0 .21

ISG 256

ATOM 256 O GLY 34 14. 583 26 .212 32 .521 1 .00 0 .21

ISG 257

ATOM 257 N PHE 35 14. 501 28 .464 32 .382 1 .00 0 .34

ISG 258

ATOM 258 CA PHE 35 13. 439 28 .442 31 .418 1 .00 0 .34

ISG 259

ATOM 259 CB PHE 35 13. 183 29 .816 30 .771 1 .00 0 .34

ISG 260

ATOM 260 CG PHE 35 11. 973 29 .742 29 .904 1 .00 0 .34

ISG 261

ATOM 261 CDl PHE 35 11. 959 28 .985 28 .763 1 .00 0 .34

ISG 262

ATOM 262 CD2 PHE 35 10. 847 30 .458 30 .218 1 .00 0 .34

ISG 263

ATOM 263 CEl PHE 35 10. 856 28 .918 27 .949 1 .00 0 .34

ISG 264

ATOM 264 CE2 PHE 35 -9. 733 30 .404 29 .415 1 .00 0 .34

ISG 265

ATOM 265 CZ PHE 35 -9. 737 29 .639 28 .275 1 .00 0 .34

ISG 266

ATOM 266 C PHE 35 12. 194 27 .969 32 .100 1 .00 0 .34

ISG 267

ATOM 267 O PHE 35 12. 044 28 .115 33 .312 1 .00 0 .34

ISG 268

ATOM 268 N CYS 36 11. 270 27 .372 31 .318 1 .00 0 .44

ISG 269

ATOM 269 CA CYS 36 10. 054 26 .808 31 .841 1 .00 0 .44

ISG 270

ATOM 270 CB CYS 36 -9. 139 26 .208 30 .758 1 .00 0 .44

ISG 271

ATOM 271 SG CYS 36 -9. 931 24 .899 29 .779 1 .00 0 .44

ISG 272

ATOM 272 C CYS 36 -9. 253 27 .886 32 .502 1 .00 0 .44

ISG 273

ATOM 273 O CYS 36 -9. 095 28 .986 31 .976 1 .00 0 .44

ISG 274

ATOM 274 N PRO 37 -8. 772 27 .579 33 .679 1 .00 0 .66

ISG 275

ATOM 275 CA PRO 37 -7. 942 28 .498 34 .416 1 .00 0 .66

ISG 276

ATOM 276 CD PRO 37 -9. 507 26 .686 34 .557 1 .00 0 .66

ISG 277

ATOM 277 CB PRO 37 -8. 046 28 .077 35 .883 1 .00 0 .66

ISG 278

ATOM 278 CG PRO 37 -8. 691 26 .680 35 .853 1 .00 0 .66

ISG 279 262

ATOM 279 C PRO 37 -6 .536 28 .507 33 .904 1 .00 0 .66

ISG 280

ATOM 280 O PRO 37 -6 .325 28 .361 32 .701 1 .00 0 .66

ISG 281

ATOM 281 N TRP 38 -5 .554 28 .631 34 .819 1 .00 0 .66

ISG 282

ATOM 282 CA TRP 38 -4 .175 28 .638 34 .433 1 .00 0 .66

ISG 283

ATOM 283 CB TRP 38 -3 .342 29 .675 35 .203 1 .00 0 .66

ISG 284

ATOM 284 CG TRP 38 -3 .257 29 .425 36 .690 1 .00 0 .66

ISG 285

ATOM 285 CD2 TRP 38 -2 .218 28 .654 37 .312 1 .00 0 .66

ISG 286

ATOM 286 CDl TRP 38 -4 .076 29 .853 37 .694 1 .00 0 .66

ISG 287

ATOM 287 NEl TRP 38 -3 .611 29 .397 38 .905 1 .00 0 .66

ISG 288

ATOM 288 CE2 TRP 38 -2 .468 28 .657 38 .684 1 .00 0 .66

ISG 289

ATOM 289 CE3 TRP 38 -1 .143 28 .000 36 .782 1 .00 0 .66

ISG 290

ATOM 290 CZ2 TRP 38 -1 .641 28 .002 39 .551 1 .00 0 .66

ISG 291

ATOM 291 CZ3 TRP 38 -0 .312 27 .339 37 .658 1 .00 0 .66

ISG 292

ATOM 292 CH2 TRP 38 -0 .557 27 .340 39 .016 1 .00 0 .66

ISG 293

ATOM 293 C TRP 38 -3. .646 27 .291 34 .784 1 .00 0 .66

ISG 294

ATOM 294 O TRP 38 -2. , 906 26 .675 34 .019 1 .00 0 .66

ISG 295

ATOM 295 N SER 39 -4. , 030 26 .796 35 .975 1 .00 0 .41

ISG 296

ATOM 296 CA SER 39 -3. .593 25 .501 36 .392 1 .00 0 .41

ISG 297

ATOM 297 CB SER 39 -2. 732 25 .515 37 .665 1 .00 0 .41

ISG 298

ATOM 298 OG SER 39 -2. 336 24 .193 37 .999 1 .00 0 .41

ISG 299

ATOM 299 C SER 39 -4. 804 24 .676 36 .693 1 .00 0 .41

ISG 300

ATOM 300 O SER 39 -5. 803 25 .170 37 .210 1 .00 0 .41

ISG 301

ATOM 301 N GLN 40 716 23 .376 36 .361 1 .00 0 .46

ISG 302

ATOM 302 CA GLN 40 716 22 .375 36 .597 1 .00 0 .46

ISG 303

ATOM 303 CB GLN 40 781 21 .947 38 .079 1 .00 0 .46

ISG 304

ATOM 304 CG GLN 40 •6. 477 20 .606 38 .322 1 .00 0 .46

ISG 305

ATOM 305 CD GLN 40 574 19 .516 37 .765 1 .00 0 .46

ISG 306

ATOM 306 OEl GLN 40 4. 360 19 .692 37 .675 1 .00 0 .46

ISG 307 263

ATOM 307 NE2 GLN 40 -6 .179 18 .361 37 .378 1 .00 0 .46

ISG 308

ATOM 308 C GLN 40 -7 .070 22 .835 36 .138 1 .00 0 .46

ISG 309

ATOM 309 O GLN 40 -7 .203 23 .686 35 .261 1 .00 0 .46

ISG 310

ATOM 310 N CYS 41 -8 .125 22 .247 36 .738 1 .00 0 .62

ISG 311

ATOM 311 CA CYS 41 -9 .489 22 .480 36 .366 1 .00 0 .62

ISG 312

ATOM 312 CB CYS 41 10 .181 21 .155 36 .036 1 .00 0 .62

ISG 313

ATOM 313 SG CYS 41 -9 .577 19 .897 37 .196 1 .00 0 .62

ISG 314

ATOM 314 C CYS 41 10 .210 23 .124 37 .506 1 .00 0 .62

ISG 315

ATOM 315 O CYS 41 -9 .960 22 .831 38 .674 1 .00 0 .62

ISG 316

ATOM 316 N THR 42 11 .139 24 .042 37 .178 1 .00 0 .58

ISG 317

ATOM 317 CA THR 42 11 .903 24 .694 38 .199 1 .00 0 .58

ISG 318

ATOM 318 CB THR 42 12 .177 26 .143 37 .916 1 .00 0 .58

ISG 319

ATOM 319 OGl THR 42 12 .813 26 .746 39 .033 1 .00 0 .58

ISG 320

ATOM 320 CG2 THR 42 13 .071 26 .259 36 .673 1 .00 0 .58

ISG 321

ATOM 321 C THR 42 13 .211 23 .974 38 .287 1 .00 0 .58

ISG 322

ATOM 322 O THR 42 13 .751 23 .529 37 .276 1 .00 0 .58

ISG 323

ATOM 323 N ASN 43 13 .747 23 .826 39 .515 1 .00 0 .53

ISG 324

ATOM 324 CA ASN 43 14 .996 23 .143 39 .710 1 .00 0. .53

ISG 325

ATOM 325 CB ASN 43 16 .191 23 .890 39 .092 1 .00 0. .53

ISG 326

ATOM 326 CG ASN 43 17 .472 23 .208 39 .551 1 .00 0. .53

ISG 327

ATOM 327 ODl ASN 43 17 .455 22 .113 40 .112 1 .00 0. .53

ISG 328

ATOM 328 ND2 ASN 43 18 .626 23 .877 39 .292 1 .00 0. 53

ISG 329

ATOM 329 C ASN 43 14 .915 21 .786 39 .081 1 .00 0. 53

ISG 330

ATOM 330 O ASN 43 15 .799 21 .390 38 .324 1 .00 0. 53

ISG 331

ATOM 331 N GLU 44 13 .863 21 .020 39 .431 1 .00 0. 47

ISG 332

ATOM 332 CA GLU 44 13 .575 19 .739 38 .845 1 .00 0. 47

ISG 333

ATOM 333 CB GLU 44 12 .380 19 .033 39 .517 1 .00 0. 47

ISG 334

ATOM 334 CG GLU 44 12 .025 17 .670 38 .914 1 .00 0. 47

ISG 335 264

ATOM 335 CD GLU 44 12. ,772 16. 599 39 .693 1. 00 0 .47

ISG 336

ATOM 336 OEl GLU 44 ^•12. ,908 16. 774 40 .933 1. 00 0 .47

ISG 337

ATOM 337 0E2 GLU 44 13. 211 15. 597 39 .065 1. 00 0 .47

ISG 338

ATOM 338 C GLU 44 14. 758 18. 819 38 .883 1. 00 0 .47

ISG 339

ATOM 339 O GLU 44 15. 469 18. 714 39 .882 1. 00 0 .47

ISG 340

ATOM 340 N LEU 45 15. 000 18. 150 37 .733 1. 00 0 .34

ISG 341

ATOM 341 CA LEU 45 16. 065 17. 203 37 .561 1. 00 0 .34

ISG 342

ATOM 342 CB LEU 45 16. 831 17. 425 36 .250 1. 00 0 .34

ISG 343

ATOM 343 CG LEU 45 17. 438 18. 832 36 .114 1. 00 0 .34

ISG 344

ATOM 344 CD2 LEU 45 18. 292 19. 208 37 .335 1. 00 0 .34

ISG 345

ATOM 345 CDl LEU 45 18. 190 18. 978 34 .783 1. 00 0 .34

ISG 346

ATOM 346 C LEU 45 15. 453 15. 842 37 .441 1. 00 0 .34

ISG 347

ATOM 347 O LEU 45 15. 969 14. 866 37 .988 1. 00 0 .34

ISG 348

ATOM 348 N LEU 46 14. 329 15. 741 36 .696 1. 00 0 .40

ISG 349

ATOM 349 CA LEU 46 13. 735 14. 454 36 .475 1. 00 0 .40

ISG 350

ATOM 350 CB LEU 46 14. 074 13. 849 35 .098 1. 00 0 .40

ISG 351

ATOM 351 CG LEU 46 15. 573 13. 557 34 .870 1. 00 0 .40

ISG 352

ATOM 352 CD2 LEU 46 16. 413 14. 844 34 .842 1. 00 0 .40

ISG 353

ATOM 353 CDl LEU 46 16. 106 12. 511 35 .861 1. 00 0 .40

ISG 354

ATOM 354 C LEU 46 12. 240 14. 541 36 .542 1. 00 0 .40

ISG 355

ATOM 355 O LEU 46 11. 639 15. 589 36 .306 1. 00 0 .40

ISG 356

ATOM 356 N ARG 47 11. 609 13. 405 36 .904 1. 00 0 .43

ISG 357

ATOM 357 CA ARG 47 10. 182 13. 291 36 .937 1. 00 0 .43

ISG 358

ATOM 358 CB ARG 47 -9. 585 13. 436 38 .347 1. 00 0 .43

ISG 359

ATOM 359 CG ARG 47 -9. 767 14. 832 38 .947 1. 00 0 .43

ISG 360

ATOM 360 CD ARG 47 -8. 694 15. 836 38 .519 1. 00 0 .43

ISG 361

ATOM 361 NE ARG 47 -7. 387 15. 337 39 .030 1. 00 0 .43

ISG 362

ATOM 362 CZ ARG 47 -6. 994 15. 635 40 .303 1. 00 0 .43

ISG 363 265

ATOM 363 NHl ARG 47 _ π .803 16 .383 41 .109 1 .00 0 .43

ISG 364

ATOM 364 NH2 ARG 47 - 5 .795 15 .181 40 .772 1 .00 0 .43

ISG 365

ATOM 365 C ARG 47 -9 .879 11 .911 36 .452 1 .00 0 .43

ISG 366

ATOM 366 O ARG 47 -10 .573 10 .957 36 .802 1 .00 0 .43

ISG 367

ATOM 367 N THR 48 -8 .837 11 .770 35 .612 1 .00 0 .23

ISG 368

ATOM 368 CA THR 48 -8 .501 10 .474 35 .102 1 .00 0 .23

ISG 369

ATOM 369 CB THR 48 -8 .593 10 .362 33 .607 1 .00 0 .23

ISG 370

ATOM 370 OGl THR 48 -7 .608 11 .178 32 .990 1 .00 0 .23

ISG 371

ATOM 371 CG2 THR 48 10 .000 10 .804 33 .161 1 .00 0 .23

ISG 372

ATOM 372 C THR 48 -7 .073 10 .237 35 .456 1 .00 0 .23

ISG 373

ATOM 373 O THR 48 -6 .313 11 .178 35 .683 1 .00 0 .23

ISG 374

ATOM 374 N ASP 49 -6 .679 8 .955 35 .534 1 .00 0 .22

ISG 375

ATOM 375 CA ASP 49 -5 .326 8 .641 35 .868 1 .00 0 .22

ISG 376

ATOM 376 CB ASP 49 -5. .207 7 .528 36 , .924 1, .00 0. .22

ISG 377

ATOM 377 CG ASP 49 -5. , 848 6 .260 36 , .379 1. .00 0. .22

ISG 378

ATOM 378 ODl ASP 49 -6. 529 6 , .344 35. ,322 1. 00 0. .22

ISG 379

ATOM 379 OD2 ASP 49 -5. 665 5. .189 37. 018 1. 00 0. .22

ISG 380

ATOM 380 C ASP 49 -4. 617 8. 191 34. 634 1. 00 0. 22

ISG 381

ATOM 381 O ASP 49 -3. 505 7. 680 34. 755 1. 00 0. 22

ISG 382

ATOM 382 N GLU 50 -5. 253 8. 391 33. 446 1. 00 0. 69

ISG 383

ATOM 383 CA GLU 50 -4. 751 8. 052 32. 128 1. 00 0. 69

ISG 384

ATOM 384 CB GLU 50 -3. 298 7. 547 32. 070 1. 00 0. 69

ISG 385

ATOM 385 CG GLU 50 -2. 854 7. 034 30. 706 1. 00 0. 69

ISG 386

ATOM 386 CD GLU 50 -1. 568 6. 261 30. 946 1. 00 0. 69

ISG 387

ATOM 387 OEl GLU 50 -0. 657 6. 822 31. 611 1. 00 0. 69

ISG 388

ATOM 388 OE2 GLU 50 -1. 476 5. 101 30. 464 1. 00 0. 69

ISG 389

ATOM 389 C GLU 50 -5. 575 6. 951 31. 540 1. 00 0. 69

ISG 390

ATOM 390 O GLU 50 -5. 838 6. 952 30. 337 1. 00 0. 69

ISG 391 266

ATOM 391 N ARG 51 -5.973 5 .962 32 .367 1 .00 0. 97

ISG 392

ATOM 392 CA ARG 51 -6.683 4 .817 31 .869 1 .00 0. 97

ISG 393

ATOM 393 CB ARG 51 -6.044 3 .496 32 .327 1 .00 0. 97

ISG 394

ATOM 394 CG ARG 51 -4.615 3 .298 31 .816 1 .00 0. 97

ISG 395

ATOM 395 CD ARG 51 -3.599 4 .250 32 .453 1 .00 0. 97

ISG 396

ATOM 396 NE ARG 51 -3.385 3 .807 33 .860 1 .00 0. 97

ISG 397

ATOM 397 CZ ARG 51 -2.452 2 .851 34 .142 1 .00 0. 97

ISG 398

ATOM 398 NHl ARG 51 -1.714 2 .300 33 .136 1 .00 0. 97

ISG 399

ATOM 399 NH2 ARG 51 -2.256 2 .447 35 .432 1 .00 0. 97

ISG 400

ATOM 400 C ARG 51 -8.108 4 .790 32 .350 1 .00 0. 97

ISG 401

ATOM 401 O ARG 51 -8.983 4 .277 31 .654 1 .00 0. 97

ISG 402

ATOM 402 N ASN 52 -8.387 5 .277 33 .578 1 .00 0. 52

ISG 403

ATOM 403 CA ASN 52 -9.739 5 .176 34 .057 1 .00 0. 52

ISG 404

ATOM 404 CB ASN 52 -9.976 3 .928 34 .925 1 .00 0. 52

ISG 405

ATOM 405 CG ASN 52 -9.816 2 .699 34 .039 1 .00 0. 52

ISG 406

ATOM 406 ODl ASN 52 -8.826 1 .975 34 .133 1 .00 0. 52

ISG 407

ATOM 407 ND2 ASN 52 -10.817 2 .455 33 .150 1 .00 0. 52

ISG 408

ATOM 408 C ASN 52 -10.065 6 .370 34 .902 1 .00 0. 52

ISG 409

ATOM 409 O ASN 52 -9.181 7 .122 35 .310 1 .00 0. 52

ISG 410

ATOM 410 N VAL 53 -11.373 6 .566 35 .178 1 .00 0. 11

ISG 411

ATOM 411 CA VAL 53 -11.828 7 .678 35 .962 1 .00 0. 11

ISG 412

ATOM 412 CB VAL 53 -13.317 7 .872 35 .906 1 .00 0. 11

ISG 413

ATOM 413 CGl VAL 53 -13.700 9 .035 36 .835 1 .00 0. 11

ISG 414

ATOM 414 CG2 VAL 53 -13.732 8 .081 34 .440 1 .00 0. 11

ISG 415

ATOM 415 C VAL 53 -11.458 7 .431 37 .387 1 .00 0. 11

ISG 416

ATOM 416 O VAL 53 -11.638 6 .332 37 .911 1 .00 0. 11

ISG 417

ATOM 417 N THR 54 -10.913 8 .470 38 .047 1 .00 0. 08

ISG 418

ATOM 418 CA THR 54 -10.518 8 .359 39 .419 1 .00 0. 08

ISG 419 267

ATOM 419 CB THR 54 -9 .171 8 .965 39 .678 1 .00 0.08

ISG 420

ATOM 420 OGl THR 54 -9 .182 10 .348 39 .360 1 .00 0.08

ISG 421

ATOM 421 CG2 THR 54 -8 .132 8 .229 38 .814 1 .00 0.08

ISG 422

ATOM 422 C THR 54 ^■11 .514 9 .108 40 .240 1 .00 0.08

ISG 423

ATOM 423 O THR 54 ^■11 .907 8 .648 41 .311 1 .00 0.08

ISG 424

ATOM 424 N TYR 55 11 .953 10 .290 39 .759 1 .00 0.19

ISG 425

ATOM 425 CA TYR 55 12 .884 11 .065 40 .528 1 .00 0.19

ISG 426

ATOM 426 CB TYR 55 12 .253 12 .349 41 .101 1 .00 0.19

ISG 427

ATOM 427 CG TYR 55 13 .280 13 .091 41 .885 1 .00 0.19

ISG 428

ATOM 428 CDl TYR 55 13 .672 12 .655 43 .130 1 .00 0.19

ISG 429

ATOM 429 CD2 TYR 55 13 .840 14 .240 41 .381 1 .00 0.19

ISG 430

ATOM 430 CEl TYR 55 14 .615 13 .346 43 .852 1 .00 0.19

ISG 431

ATOM 431 CE2 TYR 55 14 .784 14 .939 42 .097 1 .00 0.19

ISG 432

ATOM 432 CZ TYR 55 15 .174 14 .491 43 .336 1 .00 0.19

ISG 433

ATOM 433 OH TYR 55 16 .144 15 .206 44 .071 1 .00 0.19

ISG 434

ATOM 434 C TYR 55 14 .053 11 .452 39 .670 1 .00 0.19

ISG 435

ATOM 435 O TYR 55 13 .882 11 .847 38 .517 1 .00 0.19

ISG 436

ATOM 436 N GLN 56 15 .277 11 .309 40 .223 1 .00 0.37

ISG 437

ATOM 437 CA GLN 56 16 .489 11 .711 39 .559 1 .00 0.37

ISG 438

ATOM 438 CB GLN 56 17 .462 10 .576 39 .200 1 .00 0.37

ISG 439

ATOM 439 CG GLN 56 17 .151 9 .811 37 .921 1 .00 0.37

ISG 440

ATOM 440 CD GLN 56 18 .268 8 .794 37 .744 1 .00 0.37

ISG 441

ATOM 441 OEl GLN 56 18 .491 8 .281 36 .650 1 .00 0.37

ISG 442

ATOM 442 NE2 GLN 56 18 .992 8 .495 38 .854 1 .00 0.37

ISG 443

ATOM 443 C GLN 56 17 .272 12 .554 40 .508 1 .00 0.37

ISG 444

ATOM 444 O GLN 56 17 .677 12 .093 41 .575 1 .00 0.37

ISG 445

ATOM 445 N LYS 57 17 .541 13 .813 40 .117 1 .00 0.44

ISG 446

ATOM 446 CA LYS 57 18 .288 14 .697 40 .958 1 .00 0.44

ISG 447 268

ATOM 447 CB LYS 57 -18 .477 16 .085 40 , .323 1. .00 0 .44

ISG 448

ATOM 448 CG LYS 57 -19 .278 17 .042 41 , .206 1 _c .00 0 .44

ISG 449

ATOM 449 CD LYS 57 -18 .553 17 .410 42. ,504 1. , 00 0 .44

ISG 450

ATOM 450 CE LYS 57 -19 .336 18 .367 43. 405 1. 00 0 .44

ISG 451

ATOM 451 NZ LYS 57 -18 .536 18 .683 44. 609 1. 00 0 .44

ISG 452

ATOM 452 C LYS 57 -19 .651 14 .112 41. 139 1. 00 0 .44

ISG 453

ATOM 453 O LYS 57 -20 .160 14 .038 42. 257 1. 00 0 .44

ISG 454

ATOM 454 N SER 58 -20 .277 13 .668 40. 031 1. 00 0 .37

ISG 455

ATOM 455 CA SER 58 -21 .591 13 .104 40. 121 1. 00 0 .37

ISG 456

ATOM 456 CB SER 58 -22 .705 14 .102 39. 756 1. 00 0 .37

ISG 457

ATOM 457 OG SER 58 -22 .624 14 .452 38. 384 1. 00 0 .37

ISG 458

ATOM 458 C SER 58 -21 .667 11 .970 39. 144 1. 00 0 .37

ISG 459

ATOM 459 O SER 58 -20. .921 11 .930 38. 167 1. 00 0 .37

ISG 460

ATOM 460 N SER 59 -22 , .554 10 .988 39. 407 1. 00 0 .29

ISG 461

ATOM 461 CA SER 59 -22. .686 9 .875 38. 507 1. 00 0 .29

ISG 462

ATOM 462 CB SER 59 -23. 596 8 .758 39. 053 1. 00 0 .29

ISG 463

ATOM 463 OG SER 59 •24. 938 9 .212 39. 146 1. 00 0 .29

ISG 464

ATOM 464 C SER 59 -23. 264 10 .337 37. 199 1. 00 0 .29

ISG 465

ATOM 465 O SER 59 ^■23 . 377 9 .552 36. 259 1. 00 0 .29

ISG 466

ATOM 466 N ARG 60 •23. 620 11 .632 37. 097 1. 00 0 .39

ISG 467

ATOM 467 CA ARG 60 24. 180 12 .207 35. 904 1. 00 0 .39

ISG 468

ATOM 468 CB ARG 60 24. 767 13 .612 36. 144 1. 00 0 .39

ISG 469

ATOM 469 CG ARG 60 25. 943 13 .617 37. 127 1. 00 0 .39

ISG 470

ATOM 470 CD ARG 60 26. 510 15 .008 37. 427 1. 00 0 .39

ISG 471

ATOM 471 NE ARG 60 27. 445 15 .369 36. 324 1. 00 0 .39

ISG 472

ATOM 472 CZ ARG 60 26. 996 16 .056 35. 233 1. 00 0 .39

ISG 473

ATOM 473 NHl ARG 60 25. 682 16 .414 35. 140 1. 00 0 .39

ISG 474

ATOM 474 NH2 ARG 60 27. 865 16 .386 34. 235 1. 00 0 .39

ISG 475 269

ATOM 475 C ARG 60 -23 .093 12 .321 34 .878 1 .00 0 .39

ISG 476

ATOM 476 O ARG 60 -23 .360 12 .301 33 .676 1 .00 0 .39

ISG 477

ATOM 477 N TYR 61 -21 .831 12 .473 35 .338 1 .00 0 .48

ISG 478

ATOM 478 CA TYR 61 -20 .729 12 .693 34 .438 1 .00 0 .48

ISG 479

ATOM 479 CB TYR 61 -19 .695 13 .698 34 .980 1 .00 0 .48

ISG 480

ATOM 480 CG TYR 61 -20 .415 14 .984 35 .193 1 .00 0 .48

ISG 481

ATOM 481 CDl TYR 61 -20 .696 15 .824 34 .146 1 .00 0 .48

ISG 482

ATOM 482 CD2 TYR 61 -20 .820 15 .349 36 .450 1 .00 0 .48

ISG 483

ATOM 483 CEl TYR 61 -21 .361 17 .012 34 .348 1 .00 0 .48

ISG 484

ATOM 484 CE2 TYR 61 -21 .484 16 .533 36 .664 1 .00 0 .48

ISG 485

ATOM 485 CZ TYR 61 -21 .763 17 .367 35 .613 1 .00 0 .48

ISG 486

ATOM 486 OH TYR 61 -22. .448 18 .579 35 .845 1 .00 0 .48

ISG 487

ATOM 487 C TYR 61 -19. .993 11 .409 34 .188 1 .00 0 .48

ISG 488

ATOM 488 O TYR 61 -19, .555 10 .733 35 .120 1 .00 0 .48

ISG 489

ATOM 489 N GLN 62 -19, .828 11 .048 32 .896 1 .00 0 .39

ISG 490

ATOM 490 CA GLN 62 -19. .140 9 .831 32 .576 1 .00 0 .39

ISG 491

ATOM 491 CB GLN 62 -20. ,092 8 .651 32 .314 1 .00 0 .39

ISG 492

ATOM 492 CG GLN 62 -20. 923 8 .237 33 .529 1 .00 0 .39

ISG 493

ATOM 493 CD GLN 62 -20. 041 7 .400 34 .441 1 .00 0 .39

ISG 494

ATOM 494 OEl GLN 62 -18. 898 7 .091 34 .107 1 .00 0 .39

ISG 495

ATOM 495 NE2 GLN 62 •20. 594 7 .016 35 .623 1 .00 0 .39

ISG 496

ATOM 496 C GLN 62 ^■18 . 341 10 .015 31 .323 1 .00 0 .39

ISG 497

ATOM 497 O GLN 62 ^•18. 670 10 .823 30 .454 1 .00 0 .39

ISG 498

ATOM 498 N LEU 63 •17. 234 9 .255 31 .223 1 .00 0 .24

ISG 499

ATOM 499 CA LEU 63 ^■16. 400 9 .240 30 .057 1 .00 0 .24

ISG 500

ATOM 500 CB LEU 63 ^■14 . 926 9 .441 30 .436 1 .00 0 .24

ISG 501

ATOM 501 CG LEU 63 14. 705 10 .806 31 .119 1 .00 0 .24

ISG 502

ATOM 502 CD2 LEU 63 ^■15. 088 11 .966 30 .191 1. .00 0 .24

ISG 503 270

ATOM 503 CDl LEU 63 ^■13 .282 10 .951 31. 654 1 .00 0 .24

ISG 504

ATOM 504 C LEU 63 ^■16 .583 7 .858 29. 513 1 .00 0 .24

ISG 505

ATOM 505 O LEU 63 ^■16 .024 6 .898 30. 042 1 .00 0 .24

ISG 506

ATOM 506 N LYS 64 17 .366 7 .718 28. 425 1 .00 0 .15

ISG 507

ATOM 507 CA LYS 64 ^•17 .715 6 .398 27. 984 1 .00 0 .15

ISG 508

ATOM 508 CB LYS 64 19 .209 6 .308 27. 635 1 .00 0 .15

ISG 509

ATOM 509 CG LYS 64 20 .068 6 .397 28. 898 1 .00 0 .15

ISG 510

ATOM 510 CD LYS 64 21 .524 6 .768 28. 666 1 .00 0 .15

ISG 511

ATOM 511 CE LYS 64 22 .337 6 .838 29. 954 1 .00 0 .15

ISG 512

ATOM 512 NZ LYS 64 23 .730 7 .183 29. 608 1 .00 0 .15

ISG 513

ATOM 513 C LYS 64 16 .905 5 .976 26. 797 1 .00 0 .15

ISG 514

ATOM 514 O LYS 64 17 .108 4 .886 26. 264 1 .00 0 .15

ISG 515

ATOM 515 N GLY 65 15 .932 6 .796 26. 367 1 .00 0 .10

ISG 516

ATOM 516 CA GLY 65 15 .146 6 .397 25. 234 1 .00 0 .10

ISG 517

ATOM 517 C GLY 65 14 .008 5, .559 25. 723 1 .00 0 .10

ISG 518

ATOM 518 O GLY 65 13 .893 5. .274 26. 915 1 .00 0 .10

ISG 519

ATOM 519 N ASP 66 13 .128 5 , .132 24. 795 1 .00 0 .26

ISG 520

ATOM 520 CA ASP 66 11 .987 4. ,367 25. 205 1 .00 0 .26

ISG 521

ATOM 521 CB ASP 66 11 .341 3. .555 24. 070 1 .00 0 .26

ISG 522

ATOM 522 CG ASP 66 12 .313 2. ,445 23. 702 1 .00 0 .26

ISG 523

ATOM 523 ODl ASP 66 13 .386 2 371 24. 358 1 .00 0 .26

ISG 524

ATOM 524 OD2 ASP 66 12 .002 1. 657 22. 769 1 .00 0 .26

ISG 525

ATOM 525 C ASP 66 10 .997 5. 374 25. 683 1 .00 0 .26

ISG 526

ATOM 526 O ASP 66 10 .299 6. 012 24. 897 1 .00 0 .26

ISG 527

ATOM 527 N LEU 67 10 .914 5. 521 27. 015 1 .00 0 .55

ISG 528

ATOM 528 CA LEU 67 10 .122 6. 543 27. 632 1 .00 0 .55

ISG 529

ATOM 529 CB LEU 67 10 .288 6. 536 29. 165 1 .00 0 .55

ISG 530

ATOM 530 CG LEU 67 -9 .778 7. 803 29. 881 1 .00 0. .55

ISG 531 271

ATOM 531 CD2 LEU 67 -10 .611 9 .027 29 .474 1 .00 0 .55

ISG 532

ATOM 532 CDl LEU 67 -8 .272 8 .025 29 .703 1 .00 0 .55

ISG 533

ATOM 533 C LEU 67 -8 .667 6 .349 27 .318 1 .00 0 .55

ISG 534

ATOM 534 O LEU 67 -7 .976 7 .295 26 .943 1 .00 0 .55

ISG 535

ATOM 535 N ASN 68 -8 .167 5 .106 27 .421 1 .00 0 .61

ISG 536

ATOM 536 CA ASN 68 -6 .767 4 .837 27 .246 1 .00 0 .61

ISG 537

ATOM 537 CB ASN 68 -6 .426 3 .348 27 .418 1 .00 0 .61

ISG 538

ATOM 538 CG ASN 68 -4 .912 3 .227 27 .502 1 .00 0 .61

ISG 539

ATOM 539 ODl ASN 68 _ 4 .200 4 .230 27 .478 1 .00 0 .61

ISG 540

ATOM 540 ND2 ASN 68 -4 .403 1 .970 27 .596 1 .00 0 .61

ISG 541

ATOM 541 C ASN 68 -6 .365 5 .232 25 .861 1 .00 0 .61

ISG 542

ATOM 542 O ASN 68 -5 .224 5 .627 25 .623 1 .00 0 .61

ISG 543

ATOM 543 N LYS 69 -7 .289 5 .088 24 .896 1 .00 0 .43

ISG 544

ATOM 544 CA LYS 69 -6 .986 5 .418 23 .533 1 .00 0 .43

ISG 545

ATOM 545 CB LYS 69 -8 .129 5 .078 22 .562 1 .00 0 .43

ISG 546

ATOM 546 CG LYS 69 -8 .373 3 .576 22 .410 1 .00 0 .43

ISG 547

ATOM 547 CD LYS 69 -7 .168 2 .820 21 .851 1 .00 0 .43

ISG 548

ATOM 548 CE LYS 69 -7 .369 1 .306 21 .777 1 .00 0 .43

ISG 549

ATOM 549 NZ LYS 69 -6 .143 0 .664 21 .254 1 .00 0 .43

ISG 550

ATOM 550 C LYS 69 -6 .720 6 .885 23 .410 1 .00 0 .43

ISG 551

ATOM 551 O LYS 69 - 5 .783 7 .288 22 .726 1 .00 0 .43

ISG 552

ATOM 552 N GLY 70 -7 .566 7 .736 24 .018 1 .00 0 .22

ISG 553

ATOM 553 CA GLY 70 - 1 .338 9 .151 23 .963 1 .00 0 .22

ISG 554

ATOM 554 C GLY 70 -8 .676 9 .823 23 .915 1 .00 0 .22

ISG 555

ATOM 555 O GLY 70 -8 .770 11 .033 23 .712 1 .00 0 .22

ISG 556

ATOM 556 N ASP 71 -9 .759 9 .047 24 .109 1 .00 0 .13

ISG 557

ATOM 557 CA ASP 71 11 .077 9 .612 24 .021 1 .00 0 .13

ISG 558

ATOM 558 CB ASP 71 12 .090 8 .655 23 .366 1 .00 0 .13

ISG 559 272

ATOM 559 CG ASP 71 ^■13 .430 9 .364 23. 206 1. 00 0 .13

ISG 560

ATOM 560 ODl ASP 71 ^■13 .564 10 .533 23. 661 1. 00 0 .13

ISG 561

ATOM 561 OD2 ASP 71 14 .345 8 .729 22. 620 1. 00 0 .13

ISG 562

ATOM 562 C ASP 71 11 .541 9 .881 25. 415 1. 00 0 .13

ISG 563

ATOM 563 O ASP 71 •12 .010 8 .987 26. 115 1. 00 0 .13

ISG 564

ATOM 564 N VAL 72 11 .438 11 .152 25. 838 1. 00 0 .14

ISG 565

ATOM 565 CA VAL 72 11 .774 11 .555 27. 173 1. 00 0 .14

ISG 566

ATOM 566 CB VAL 72 10 .719 12 .389 27. 824 1. 00 0 .14

ISG 567

ATOM 567 CGl VAL 72 -9 .471 11 .514 28. 027 1. 00 0 .14

ISG 568

ATOM 568 CG2 VAL 72 10 .511 13 .642 26. 953 1. 00 0 .14

ISG 569

ATOM 569 C VAL 72 13 .007 12 .399 27. 133 1. 00 0 .14

ISG 570

ATOM 570 O VAL 72 13 .132 13 .337 27. 920 1. 00 0 .14

ISG 571

ATOM 571 N SER 73 13 .918 12 .135 26. 177 1. 00 0 .13

ISG 572

ATOM 572 CA SER 73 15 .090 12 .953 26. 041 1. 00 0 .13

ISG 573

ATOM 573 CB SER 73 15 .862 12 .661 24. 759 1. 00 0. .13

ISG 574

ATOM 574 OG SER 73 15 .013 12 .865 23. 643 1. 00 0 , .13

ISG 575

ATOM 575 C SER 73 16 .017 12 .793 27. 211 1. 00 0. .13

ISG 576

ATOM 576 O SER 73 16 .247 11 .696 27. 715 1. 00 0. .13

ISG 577

ATOM 577 N LEU 74 16 .597 13 .924 27. 662 1. 00 0. .18

ISG 578

ATOM 578 CA LEU 74 17 .469 13 .924 28. 802 1. 00 0. .18

ISG 579

ATOM 579 CB LEU 74 17 .344 15 .226 29. 615 1. 00 0. 18

ISG 580

ATOM 580 CG LEU 74 18 .254 15 .317 30. 856 1. 00 0. 18

ISG 581

ATOM 581 CD2 LEU 74 18 .285 16 .749 31. 421 1. 00 0. 18

ISG 582

ATOM 582 CDl LEU 74 17 .867 14 .267 31. 908 1. 00 0. 18

ISG 583

ATOM 583 C LEU 74 18 .889 13 .793 28. 333 1. 00 0. 18

ISG 584

ATOM 584 O LEU 74 19 .300 14 .444 27. 374 1. 00 0. 18

ISG 585

ATOM 585 N ILE 75 19 .673 12 .913 28. 993 1. 00 0. 24

ISG 586

ATOM 586 CA ILE 75 21 .055 12 .747 28. 633 1. 00 0. 24

ISG 587 273

ATOM 587 CB ILE 75 -21 .437 11. 333 28 .272 1 .00 0 .24

ISG 588

ATOM 588 CG2 ILE 75 -22 .968 11. 270 28 .110 1 .00 0 .24

ISG 589

ATOM 589 CGl ILE 75 -20 .655 10. 856 27 .038 1 .00 0 .24

ISG 590

ATOM 590 CDl ILE 75 -19 .158 10. 703 27 .304 1 .00 0 .24

ISG 591

ATOM 591 C ILE 75 -21 .852 13. 086 29 .846 1 .00 0 .24

ISG 592

ATOM 592 O ILE 75 -21 .574 12. 597 30 .941 1 .00 0 .24

ISG 593

ATOM 593 N ILE 76 -22 .872 13. 948 29 .680 1 .00 0 .29

ISG 594

ATOM 594 CA ILE 76 -23 .678 14. 306 30 .807 1 .00 0 .29

ISG 595

ATOM 595 CB ILE 76 -23 .883 15. 791 30 .962 1 .00 0 .29

ISG 596

ATOM 596 CG2 ILE 76 -24 .854 16. 034 32 .129 1 .00 0 .29

ISG 597

ATOM 597 CGl ILE 76 -22 .527 16. 495 31 .158 1 .00 0 .29

ISG 598

ATOM 598 CDl ILE 76 -22 .608 18. 018 31 .066 1 .00 0 .29

ISG 599

ATOM 599 C ILE 76 -25 .000 13. 636 30 .618 1 .00 0 .29

ISG 600

ATOM 600 O ILE 76 -25 .704 13. 880 29 .639 1 .00 0 .29

ISG 601

ATOM 601 N LYS 77 -25 .354 12. 753 31 .572 1 .00 0 .37

ISG 602

ATOM 602 CA LYS 77 -26 .575 11. 998 31 .529 1 .00 0 .37

ISG 603

ATOM 603 CB LYS 77 -26 .686 10. 957 32 .659 1 .00 0 .37

ISG 604

ATOM 604 CG LYS 77 -25 .981 9. 634 32 .387 1 .00 0 .37

ISG 605

ATOM 605 CD LYS 77 -26 .651 8. 854 31 .259 1 .00 0 .37

ISG 606

ATOM 606 CE LYS 77 -26 .171 7. 406 31 .173 1 .00 0 .37

ISG 607

ATOM 607 NZ LYS 77 -27 .015 6. 646 30 .225 1 .00 0 .37

ISG 608

ATOM 608 C LYS 77 -27 .728 12. 919 31 .730 1 .00 0 .37

ISG 609

ATOM 609 O LYS 77 •27 .643 13. 857 32 .519 1 .00 0 .37

ISG 610

ATOM 610 N ASN 78 •28 .824 12. 654 30 .980 1 .00 0 .28

ISG 611

ATOM 611 CA ASN 78 ^•30 .102 13. 312 31 .044 1 .00 0 .28

ISG 612

ATOM 612 CB ASN 78 ^■31 .052 12. 637 32 .046 1 .00 0 .28

ISG 613

ATOM 613 CG ASN 78 ^■31 .278 11. 219 31 .519 1 .00 0 .28

ISG 614

ATOM 614 ODl ASN 78 ^■31 .422 11. 011 30 .316 1 .00 0 .28

ISG 615 274

ATOM 615 ND2 ASN 78 -31 .288 10. ,214 32 .435 1 .00 0 .28

ISG 616

ATOM 616 C ASN 78 -29 .914 14. .764 31 .351 1 .00 0 .28

ISG 617

ATOM 617 O ASN 78 -30 .156 15. 216 32 .468 1 .00 0 .28

ISG 618

ATOM 618 N VAL 79 -29 .440 15. 522 30 .347 1 .00 0 .29

ISG 619

ATOM 619 CA VAL 79 -29 .074 16. 899 30 .509 1 .00 0 .29

ISG 620

ATOM 620 CB VAL 79 -28 .420 17. 452 29 .272 1 .00 0 .29

ISG 621

ATOM 621 CGl VAL 79 -28 .031 18. 925 29 .494 1 .00 0 .29

ISG 622

ATOM 622 CG2 VAL 79 -27 .258 16. 526 28 .875 1 .00 0 .29

ISG 623

ATOM 623 C VAL 79 -30 .287 17. 724 30 .813 1 .00 0 .29

ISG 624

ATOM 624 O VAL 79 -31 .419 17. 334 30 .533 1 .00 0 .29

ISG 625

ATOM 625 N THR 80 -30 .058 18. 892 31 .446 1 .00 0 .47

ISG 626

ATOM 626 CA THR 80 -31 .097 19. 819 31 .770 1 .00 0 .47

ISG 627

ATOM 627 CB THR 80 -31 .482 19. 797 33. .217 1 .00 0 .47

ISG 628

ATOM 628 OGl THR 80 -32 .547 20. 704 33. .458 1. .00 0 .47

ISG 629

ATOM 629 CG2 THR 80 -30 .255 20. 169 34. .063 1. .00 0 .47

ISG 630

ATOM 630 C THR 80 -30 .569 21. 182 31. .457 1. .00 0 .47

ISG 631

ATOM 631 O THR 80 -29 .383 21. 354 31. 178 1. ,00 0 .47

ISG 632

ATOM 632 N LEU 81 -31 .448 22. 196 31. 522 1. 00 0 .51

ISG 633

ATOM 633 CA LEU 81 -31 .066 23. 527 31. 158 1. 00 0 .51

ISG 634

ATOM 634 CB LEU 81 -32 .202 24. 546 31. 357 1. 00 0 .51

ISG 635

ATOM 635 CG LEU 81 -33 .428 24. 275 30. 467 1. 00 0 .51

ISG 636

ATOM 636 CD2 LEU 81 -34 .396 25. 469 30. 463 1. 00 0 .51

ISG 637

ATOM 637 CDl LEU 81 ^■34 .109 22. 950 30. 842 1. 00 0 .51

ISG 638

ATOM 638 C LEU 81 •29 .920 23. 959 32. 018 1. 00 0 .51

ISG 639

ATOM 639 O LEU 81 ^■28 .989 24. 597 31. 531 1. 00 0 .51

ISG 640

ATOM 640 N ASP 82 ^■29 .953 23. 624 33. 320 1. 00 0 .41

ISG 641

ATOM 641 CA ASP 82 ^■28 .938 24. 070 34. 234 1. 00 0 .41

ISG 642

ATOM 642 CB ASP 82 ^■29 .284 23. 768 35. 710 1. 00 0 .41

ISG 643 275

ATOM 643 CG ASP 82 -29 .384 22 .264 35 .947 1 .00 0 .41

ISG 644

ATOM 644 ODl ASP 82 -28 .397 21 .537 35 .656 1 .00 0 .41

ISG 645

ATOM 645 0D2 ASP 82 -30 .451 21 .823 36 .452 1 .00 0 .41

ISG 646

ATOM 646 C ASP 82 -27 .583 23 .492 33 .926 1 .00 0 .41

ISG 647

ATOM 647 O ASP 82 -26 .642 23 .715 34 .687 1 .00 0 .41

ISG 648

ATOM 648 N ASP 83 -27 .411 22 .758 32 .809 1 .00 0 .36

ISG 649

ATOM 649 CA ASP 83 -26 .099 22 .221 32 .561 1 .00 0 .36

ISG 650

ATOM 650 CB ASP 83 -26 .131 20 .827 31 .909 1 .00 0 .36

ISG 651

ATOM 651 CG ASP 83 -26 .600 19 .801 32 .934 1 .00 0 .36

ISG 652

ATOM 652 ODl ASP 83 -26 .232 19 .938 34 .131 1 .00 0 .36

ISG 653

ATOM 653 0D2 ASP 83 -27 .338 18 .864 32 .529 1 .00 0 .36

ISG 654

ATOM 654 C ASP 83 -25 .414 23 .126 31 .585 1 .00 0 .36

ISG 655

ATOM 655 O ASP 83 -24 .233 22 .954 31 .287 1 .00 0 .36

ISG 656

ATOM 656 N HIS 84 -26 .125 24. .164 31 .109 1, .00 0 .37

ISG 657

ATOM 657 CA HIS 84 -25 .532 25. .047 30 .149 1 , , 00 0 .37

ISG 658

ATOM 658 NDl HIS 84 -26 .183 28. , 112 31 .031 1. .00 0 .37

ISG 659

ATOM 659 CG HIS 84 •26 .974 27. 090 30 .556 1. 00 0 .37

ISG 660

ATOM 660 CB HIS 84 ^■26 .510 26. 076 29 .554 1. 00 0 .37

ISG 661

ATOM 661 NE2 HIS 84 •28 .158 28. 323 32 .030 1. 00 0 .37

ISG 662

ATOM 662 CD2 HIS 84 •28 .176 27. 234 31 .176 1. 00 0 .37

ISG 663

ATOM 663 CEl HIS 84 26 .940 28. 818 31 .908 1. 00 0 .37

ISG 664

ATOM 664 C HIS 84 24 .455 25. 810 30 .846 1. 00 0 .37

ISG 665

ATOM 665 O HIS 84 24 .542 26. 078 32 .043 1. 00 0 .37

ISG 666

ATOM 666 N GLY 85 23 .389 26. 166 30 .107 1. 00 0 .35

ISG 667

ATOM 667 CA GLY 85 22 .328 26. 914 30 .711 1. 00 0 .35

ISG 668

ATOM 668 C GLY 85 21 .068 26. 566 29 .990 1. 00 0 .35

ISG 669

ATOM 669 O GLY 85 21 .094 25. 904 28 .954 1. 00 0 .35

ISG 670

ATOM 670 N THR 86 19 .918 27. 003 30 .534 1. 00 0 .36

ISG 671 276

ATOM 671 CA THR 86 -18. ,664 26 .728 29 .897 1 .00 0 .36

ISG 672

ATOM 672 CB THR 86 -17. ,725 27 .896 29 .916 1 .00 0 .36

ISG 673

ATOM 673 OGl THR 86 -16. 516 27 .571 29 .245 1 .00 0 .36

ISG 674

ATOM 674 CG2 THR 86 -17. 451 28 .280 31 .377 1 .00 0 .36

ISG 675

ATOM 675 C THR 86 -18. 016 25 .584 30 .611 1 .00 0 .36

ISG 676

ATOM 676 O THR 86 -18. 143 25 .444 31 .825 1 .00 0 .36

ISG 677

ATOM 677 N TYR 87 -17. 328 24 .709 29 .847 1 .00 0 .26

ISG 678

ATOM 678 CA TYR 87 -16. 665 23 .566 30 .416 1 .00 0 .26

ISG 679

ATOM 679 CB TYR 87 -17. 285 22 .209 30 .023 1 .00 0 .26

ISG 680

ATOM 680 CG TYR 87 -18. 571 22 .001 30 .755 1 .00 0 .26

ISG 681

ATOM 681 CDl TYR 87 -19. 731 22 .637 30 .371 1 .00 0 .26

ISG 682

ATOM 682 CD2 TYR 87 -18. 611 21 .139 31 .827 1 .00 0 .26

ISG 683

ATOM 683 CEl TYR 87 -20. 905 22 .423 31 .058 1 .00 0 .26

ISG 684

ATOM 684 CE2 TYR 87 -19. 780 20 .920 32 .516 1 .00 0 .26

ISG 685

ATOM 685 CZ TYR 87 -20. 931 21 .562 32 .130 1 .00 0 .26

ISG 686

ATOM 686 OH TYR 87 -22. 132 21 .338 32 .836 1 .00 0 .26

ISG 687

ATOM 687 C TYR 87 -15. 238 23 .540 29 .956 1 .00 0 .26

ISG 688

ATOM 688 O TYR 87 ^■14 . 899 24 .055 28 .892 1 .00 0 .26

ISG 689

ATOM 689 N CYS 88 ^■14 . 350 22 .933 30 .770 1 .00 0 .46

ISG 690

ATOM 690 CA CYS 88 12. 956 22 .881 30 .432 1 .00 0 .46

ISG 691

ATOM 691 CB CYS 88 12. 072 23 .606 31 .467 1 .00 0 .46

ISG 692

ATOM 692 SG CYS 88 ^■10. 294 23 .438 31 .138 1 .00 0 .46

ISG 693

ATOM 693 C CYS 88 12. 493 21 .456 30 .422 1 .00 0 .46

ISG 694

ATOM 694 O CYS 88 12. 752 20 .707 31 .364 1 .00 0 .46

ISG 695

ATOM 695 N CYS 89 11. 811 21 .036 29 .331 1 .00 0 .96

ISG 696

ATOM 696 CA CYS 89 11. 188 19 .742 29 .346 1 .00 0 .96

ISG 697

ATOM 697 CB CYS 89 11. 659 18 .691 28 .305 1 .00 0 .96

ISG 698

ATOM 698 SG CYS 89 11. 158 18 .954 26 .577 1 .00 0 .96

ISG 699 277

ATOM 699 C CYS 89 -9 .729 20 .007 29 .159 1 .00 0. 96

ISG 700

ATOM 700 O CYS 89 -9 .313 20 .606 28 .168 1 .00 0. 96

ISG 701

ATOM 701 N ARG 90 ~ QO .919 19 .570 30 .143 1 .00 1. 02

ISG 702

ATOM 702 CA ARG 90 -7 .512 19 .852 30 .168 1 .00 1. 02

ISG 703

ATOM 703 CB ARG 90 -7 .117 20 .522 31 .495 1 .00 1. 02

ISG 704

ATOM 704 CG ARG 90 -5 .689 21 .051 31 .530 1 .00 1. 02

ISG 705

ATOM 705 CD ARG 90 -5 .537 22 .385 30 .806 1 .00 1. 02

ISG 706

ATOM 706 NE ARG 90 -5 .925 23 .453 31 .769 1 .00 1. 02

ISG 707

ATOM 707 CZ ARG 90 -5 .255 24 .642 31 .770 1 .00 1. 02

ISG 708

ATOM 708 NHl ARG 90 -4 .273 24 .877 30 .852 1 .00 1. 02

ISG 709

ATOM 709 NH2 ARG 90 -5 .545 25 .590 32 .705 1 .00 1. 02

ISG 710

ATOM 710 C ARG 90 -6, .763 18 .552 30 .118 1 .00 1. 02

ISG 711

ATOM 711 O ARG 90 -7, .006 17 .657 30 .926 1. .00 1. 02

ISG 712

ATOM 712 N ILE 91 -5. .816 18 .419 29 .167 1, .00 0. 78

ISG 713

ATOM 713 CA ILE 91 -5. 023 17 .225 29. .051 1. ,00 0. 78

ISG 714

ATOM 714 CB ILE 91 -5. 226 16 .563 27. .717 1. 00 0. 78

ISG 715

ATOM 715 CG2 ILE 91 -5. 342 17 .669 26. ,673 1. 00 0. 78

ISG 716

ATOM 716 CGl ILE 91 -4. 199 15 .453 27. ,440 1. 00 0. 78

ISG 717

ATOM 717 CDl ILE 91 -4. 391 14 .204 28. 290 1. 00 0. 78

ISG 718

ATOM 718 C ILE 91 -3. 585 17 .570 29. 272 1. 00 0. 78

ISG 719

ATOM 719 O ILE 91 -2. 977 18 .333 28. 523 1. 00 0. 78

ISG 720

ATOM 720 N GLN 92 -2. 985 16 .983 30. 325 1. 00 0. 61

ISG 721

ATOM 721 CA GLN 92 •1. 636 17 .369 30. 610 1. 00 0. 61

ISG 722

ATOM 722 CB GLN 92 289 17 .335 32. 108 1. 00 0. 61

ISG 723

ATOM 723 CG GLN 92 •2. 047 18 .383 32. 930 1. 00 0. 61

ISG 724

ATOM 724 CD GLN 92 ^•3. 490 17 .924 33. 093 1. 00 0. 61

ISG 725

ATOM 725 OEl GLN 92 341 18 .162 32. 237 1. 00 0. 61

ISG 726

ATOM 726 NE2 GLN 92 778 17 .242 34. 233 1. 00 0. 61

ISG 727 278

ATOM 727 C GLN 92 -0 .681 16 .490 29. 871 1. 00 0 .61

ISG 728

ATOM 728 O GLN 92 -0 .305 15 .421 30. 349 1. 00 0 .61

ISG 729

ATOM 729 N PHE 93 -0 .243 16 .939 28. 675 1. 00 0 .48

ISG 730

ATOM 730 CA PHE 93 0 .700 16 .160 27. 934 1. 00 0 .48

ISG 731

ATOM 731 CB PHE 93 0 .494 16 .161 26. 402 1. 00 0 .48

ISG 732

ATOM 732 CG PHE 93 0 .826 17 .463 25. 765 1. 00 0 .48

ISG 733

ATOM 733 CDl PHE 93 -0 .132 18 .429 25. 593 1. 00 0 .48

ISG 734

ATOM 734 CD2 PHE 93 2 .098 17 .702 25. 307 1. 00 0 .48

ISG 735

ATOM 735 CEl PHE 93 0 .173 19 .624 24. 991 1. 00 0 .48

ISG 736

ATOM 736 CE2 PHE 93 2 .415 18 .897 24. 708 1. 00 0 .48

ISG 737

ATOM 737 CZ PHE 93 1 .450 19 .861 24. 547 1. 00 0 .48

ISG 738

ATOM 738 C PHE 93 2 .086 16 .609 28. 285 1. 00 0 .48

ISG 739

ATOM 739 O PHE 93 2 .279 17 .529 29. 082 1. 00 0 .48

ISG 740

ATOM 740 N PRO 94 3 .068 15 .978 27. 691 1. 00 0 .30

ISG 741

ATOM 741 CA PRO 94 4 .422 16 .283 28. 057 1. 00 0 .30

ISG 742

ATOM 742 CD PRO 94 2 .936 14 .600 27. 242 1. 00 0 .30

ISG 743

ATOM 743 CB PRO 94 5 .281 15 .256 27. 323 1. 00 0 .30

ISG 744

ATOM 744 CG PRO 94 4 .361 14 .021 27. 249 1. 00 0 .30

ISG 745

ATOM 745 C PRO 94 4 .772 17 .714 27. 821 1. 00 0 .30

ISG 746

ATOM 746 O PRO 94 4 .191 18 .345 26. 943 1. 00 0 .30

ISG 747

ATOM 747 N GLY 95 5 .724 18 .255 28. 603 1. 00 0 .26

ISG 748

ATOM 748 CA GLY 95 6 .055 19 .641 28. 465 1. 00 0 .26

ISG 749

ATOM 749 C GLY 95 5 .788 20 .296 29. 781 1. 00 0 .26

ISG 750

ATOM 750 O GLY 95 4 .968 19 .827 30. 567 1. 00 0 .26

ISG 751

ATOM 751 N LEU 96 6 .485 21 .422 30. 031 1. 00 0 .54

ISG 752

ATOM 752 CA LEU 96 6 .439 22 .143 31. 273 1. 00 0 .54

ISG 753

ATOM 753 CB LEU 96 7 .178 23 .491 31. 206 1. 00 0 .54

ISG 754

ATOM 754 CG LEU 96 8 .689 23 .355 30. 948 1. 00 0 .54

ISG 755 279

ATOM 755 CD2 LEU 96 9 .409 24 .703 31.118 1 .00 0. 54

ISG 756

ATOM 756 CDl LEU 96 8 .964 22 .707 29.583 1 .00 0. 54

ISG 757

ATOM 757 C LEU 96 5 .019 22 .428 31.626 1 .00 0. 54

ISG 758

ATOM 758 O LEU 96 4 .345 21 .616 32.250 1 .00 0. 54

ISG 759

ATOM 759 N MET 97 4 .536 23 .632 31.289 1 .00 0. 66

ISG 760

ATOM 760 CA MET 97 3 .167 23 .959 31.545 1 .00 0. 66

ISG 761

ATOM 761 CB MET 97 2 .990 25 .311 32.256 1 .00 0. 66

ISG 762

ATOM 762 CG MET 97 1 .606 25 .520 32.877 1 .00 0. 66

ISG 763

ATOM 763 SD MET 97 0 .212 25 .409 31.715 1 .00 0. 66

ISG 764

ATOM 764 CE MET 97 0 .144 23 .594 31.723 1 .00 0. 66

ISG 765

ATOM 765 C MET 97 2 .600 24 .105 30.182 1 .00 0. 66

ISG 766

ATOM 766 O MET 97 2 .327 25 .214 29.726 1 .00 0. 66

ISG 767

ATOM 767 N ASN 98 2 .430 22 .965 29.490 1 .00 0. 51

ISG 768

ATOM 768 CA ASN 98 1 .987 23 .030 28.134 1 .00 0. 51

ISG 769

ATOM 769 CB ASN 98 3 .073 22 .561 27.151 1 .00 0. 51

ISG 770

ATOM 770 CG ASN 98 2 .624 22 .907 25.741 1 .00 0. 51

ISG 771

ATOM 771 ODl ASN 98 1 .451 23 .185 25.497 1 .00 0. 51

ISG 772

ATOM 772 ND2 ASN 98 3 .581 22 .884 24.775 1 .00 0. 51

ISG 773

ATOM 773 C ASN 98 0 .815 22 .119 27.977 1 .00 0. 51

ISG 774

ATOM 774 O ASN 98 0 .780 21 .302 27.060 1 .00 0. 51

ISG 775

ATOM 775 N ASP 99 0 .190 22 .233 28.861 1 .00 0. 56

ISG 776

ATOM 776 CA ASP 99 1 .323 21 .358 28.759 1 .00 0. 56

ISG 777

ATOM 777 CB ASP 99 2 .076 21 .166 30.094 1 .00 0. 56

ISG 778

ATOM 778 CG ASP 99 2 .418 22 .515 30.704 1 .00 0. 56

ISG 779

ATOM 779 ODl ASP 99 2 .085 23 .560 30.083 1 .00 0. 56

ISG 780

ATOM 780 OD2 ASP 99 2 .992 22 .515 31.824 1 .00 0. 56

ISG 781

ATOM 781 C ASP 99 2 .247 21 .791 27.666 1 .00 0. 56

ISG 782

ATOM 782 O ASP 99 2. .402 22 .981 27.396 1 .00 0. 56

ISG 783 280

ATOM 783 N LYS 100 _ 2 .871 20 , .815 26. ,962 1 .00 0 .82

ISG 784

ATOM 784 CA LYS 100 -3 .778 21. ,276 25. 960 1 .00 0 .82

ISG 785

ATOM 785 CB LYS 100 — 3 .774 20. ,595 24. 563 1 .00 0 .82

ISG 786

ATOM 786 CG LYS 100 -4 .090 19. 107 24. 440 1 .00 0 .82

ISG 787

ATOM 787 CD LYS 100 - 2 .996 18. 189 24. 977 1 .00 0 .82

ISG 788

ATOM 788 CE LYS 100 -3 .296 16. 702 24. 783 1 .00 0 .82

ISG 789

ATOM 789 NZ LYS 100 -2 .123 15. 894 25. 174 1 .00 0 .82

ISG 790

ATOM 790 C LYS 100 -5 .136 21. 341 26. 551 1 .00 0 .82

ISG 791

ATOM 791 O LYS 100 -5 .668 20. 380 27. 110 1 .00 0 .82

ISG 792

ATOM 792 N LYS 101 -5 .712 22. 550 26. 480 1 .00 0 .97

ISG 793

ATOM 793 CA LYS 101 -6 .987 22. 724 27. 081 1 .00 0 .97

ISG 794

ATOM 794 CB LYS 101 -7 .005 23. 717 28. 257 1 .00 0 .97

ISG 795

ATOM 795 CG LYS 101 -6, .480 25. 111 27. 926 1 .00 0 .97

ISG 796

ATOM 796 CD LYS 101 -4. .987 25. 180 27. 624 1. .00 0 .97

ISG 797

ATOM 797 CE LYS 101 -4. .524 26. 580 27. 215 1. .00 0 .97

ISG 798

ATOM 798 NZ LYS 101 -4. ,815 27. 548 28. 296 1. .00 0 .97

ISG 799

ATOM 799 C LYS 101 -7. 971 23. 152 26. 051 1. 00 0 .97

ISG 800

ATOM 800 O LYS 101 -7. 623 23. 759 25. 039 1. 00 0 .97

ISG 801

ATOM 801 N LEU 102 -9. 241 22. 771 26. 283 1. 00 0 .85

ISG 802

ATOM 802 CA LEU 102 10. 314 23. 117 25. 403 1. 00 0 .85

ISG 803

ATOM 803 CB LEU 102 10. 846 21. 927 24. 585 1. 00 0 .85

ISG 804

ATOM 804 CG LEU 102 -9. 839 21. 378 23. 559 1. 00 0 .85

ISG 805

ATOM 805 CD2 LEU 102 ~ O . 550 20. 893 24. 242 1. 00 0 .85

ISG 806

ATOM 806 CDl LEU 102 -9. 576 22. 394 22. 436 1. 00 0 .85

ISG 807

ATOM 807 C LEU 102 11. 447 23. 608 26. 251 1. 00 0 .85

ISG 808

ATOM 808 O LEU 102 11. 864 22. 942 27. 198 1. 00 0 .85

ISG 809

ATOM 809 N GLU 103 11. 975 24. 801 25. 909 1. 00 0 .58

ISG 810

ATOM 810 CA GLU 103 13. 074 25. 398 26. 616 1. 00 0 .58

ISG 811 281

ATOM 811 CB GLU 103 -12 .959 26 .926 26. .745 1 .00 0 .58

ISG 812

ATOM 812 CG GLU 103 -14 .180 27 .568 27 .411 1 .00 0 .58

ISG 813

ATOM 813 CD GLU 103 -14 .257 29 .022 26. .962 1 .00 0 .58

ISG 814

ATOM 814 OEl GLU 103 -13 .559 29 .367 25. .970 1 .00 0 .58

ISG 815

ATOM 815 OE2 GLU 103 -14 .972 29 .813 27. .632 1 .00 0 .58

ISG 816

ATOM 816 C GLU 103 -14 .301 25 .185 25. 787 1 .00 0 .58

ISG 817

ATOM 817 O GLU 103 -14 .285 25 .393 24. 575 1 .00 0 .58

ISG 818

ATOM 818 N LEU 104 -15 .410 24 .778 26. 432 1 .00 0 .54

ISG 819

ATOM 819 CA LEU 104 -16 .636 24 .507 25. 736 1 .00 0 .54

ISG 820

ATOM 820 CB LEU 104 -17 .225 23 .122 26. 062 1 .00 0 .54

ISG 821

ATOM 821 CG LEU 104 -16 .464 21 .931 25. 466 1 .00 0 .54

ISG 822

ATOM 822 CD2 LEU 104 -14 .972 21 .980 25. 825 1 .00 0 .54

ISG 823

ATOM 823 CDl LEU 104 -16. .714 21, .843 23. 960 1. .00 0 .54

ISG 824

ATOM 824 C LEU 104 -17 .685 25, .472 26. 193 1. , 00 0 .54

ISG 825

ATOM 825 O LEU 104 -17. .632 25, ,996 27. 304 1 , , 00 0 .54

ISG 826

ATOM 826 N LYS 105 -18. ,653 25. .750 25. 295 1. 00 0 .55

ISG 827

ATOM 827 CA LYS 105 -19. .813 26. 533 25. 611 1. 00 0 .55

ISG 828

ATOM 828 CB LYS 105 -19. 986 27. 785 24. 733 1. 00 0 .55

ISG 829

ATOM 829 CG LYS 105 •19. 044 28. 933 25. 099 1. 00 0 .55

ISG 830

ATOM 830 CD LYS 105 ^■19. 289 29. 478 26. 508 1. 00 0 .55

ISG 831

ATOM 831 CE LYS 105 ^■20 . 608 30. 242 26. 652 1. 00 0 .55

ISG 832

ATOM 832 NZ LYS 105 •20. 852 30. 568 28. 075 1. 00 0 .55

ISG 833

ATOM 833 C LYS 105 ^•20. 972 25. 632 25. 323 1. 00 0 .55

ISG 834

ATOM 834 O LYS 105 21. 376 25. 471 24. 172 1. 00 0 .55

ISG 835

ATOM 835 N LEU 106 ^■21. 546 25. 032 26. 379 1. 00 0 .40

ISG 836

ATOM 836 CA LEU 106 22. 603 24. 076 26. 234 1. 00 0 .40

ISG 837

ATOM 837 CB LEU 106 22. 444 22. 918 27. 248 1. 00 0 .40

ISG 838

ATOM 838 CG LEU 106 23. 533 21. 833 27. 177 1. 00 0 .40

ISG 839 282

ATOM 839 CD2 LEU 106 -23 .430 20 .857 28 .365 1. 00 0 .40

ISG 840

ATOM 840 CDl LEU 106 -23 .506 21 .115 25 .822 1. 00 0 .40

ISG 841

ATOM 841 C LEU 106 -23 .901 24 .766 26 .508 1. 00 0 .40

ISG 842

ATOM 842 O LEU 106 -24 .044 25 .476 27 .503 1. 00 0 .40

ISG 843

ATOM 843 N ASP 107 -24 .883 24 .604 25 .600 1. 00 0 .43

ISG 844

ATOM 844 CA ASP 107 -26 .161 25 .201 25 .853 1. 00 0 .43

ISG 845

ATOM 845 CB ASP 107 -26 .510 26 .376 24 .921 1. 00 0 .43

ISG 846

ATOM 846 CG ASP 107 -26 .573 25 .880 23 .485 1. 00 0 .43

ISG 847

ATOM 847 ODl ASP 107 -25 .523 25 .392 22 .988 1. 00 0 .43

ISG 848

ATOM 848 OD2 ASP 107 -27 .662 26 .005 22 .862 1. 00 0 .43

ISG 849

ATOM 849 C ASP 107 -27 .193 24 .137 25 .681 1. 00 0 .43

ISG 850

ATOM 850 O ASP 107 -27 .268 23 .489 24 .638 1. 00 0 .43

ISG 851

ATOM 851 N ILE 108 -28 .023 23 .922 26 .719 1. 00 0 .56

ISG 852

ATOM 852 CA ILE 108 -29 .020 22 .900 26 .601 1. 00 0 .56

ISG 853

ATOM 853 CB ILE 108 -28 .974 21 .890 27 .701 1. 00 0 .56

ISG 854

ATOM 854 CG2 ILE 108 -30 .098 20 .869 27 .443 1. 00 0 .56

ISG 855

ATOM 855 CGl ILE 108 -27 .571 21 .264 27 .758 1. 00 0 .56

ISG 856

ATOM 856 CDl ILE 108 -27 .141 20 .619 26 .444 1. 00 0 .56

ISG 857

ATOM 857 C ILE 108 -30 .358 23 .555 26 .651 1. 00 0 .56

ISG 858

ATOM 858 O ILE 108 -30 .672 24 .288 27 .588 1. 00 0 .56

ISG 859

ATOM 859 N LYS 109 •31 .191 23 .283 25 .627 1. 00 0 .48

ISG 860

ATOM 860 CA LYS 109 •32 .482 23 .894 25 .531 1. 00 0 .48

ISG 861

ATOM 861 CB LYS 109 ^■32 .621 24 .775 24 .277 1. 00 0 .48

ISG 862

ATOM 862 CG LYS 109 ^■33 .928 25 .563 24 .201 1. 00 0 .48

ISG 863

ATOM 863 CD LYS 109 ^■34 .049 26 .639 25 .283 1. 00 0 .48

ISG 864

ATOM 864 CE LYS 109 ^•35 .313 27 .495 25 .185 1. 00 0 .48

ISG 865

ATOM 865 NZ LYS 109 35 .321 28 .494 26 .278 1. 00 0 .48

ISG 866

ATOM 866 C LYS 109 33 .513 22 .813 25 .440 1. 00 0 .48

ISG 867 283

ATOM 867 O LYS 109 33.215 21.675 25.083 1.00 0.48

ISG 868

ATOM 868 N ALA 110 34.772 23.158 25.777 1.00 0.21

ISG 869

ATOM 869 CA ALA 110 35.838 22.203 25.746 1.00 0.21

ISG 870

ATOM 870 CB ALA 110 37.151 22.730 26.349 1.00 0.21

ISG 871

ATOM 871 C ALA 110 36.105 21.864 24.322 1.00 0.21

ISG 872

ATOM 872 O ALA 110 35.879 22.673 23.424 1.00 0.21

ISG 873

ATOM 873 N ALA 111 36.577 20.628 24.085 1.00 0.05

ISG 874

ATOM 874 CA ALA 111 36.882 20.224 22.749 1.00 0.05

ISG 875

ATOM 875 CB ALA 111 37.246 18.733 22.632 1.00 0.05

ISG 876

ATOM 876 C ALA 111 38.105 21.033 22.329 1.00 0.05

ISG 877

ATOM 877 O ALA 111 39.153 20.913 23.016 1.00 0.05

ISG 878

ATOM 878 OXT ALA 111 38.007 21.781 21.319 1.00 0.05

ISG 879

END

284

TIM3

REMARK Produced by MODELLER: 1 REMARK MODELLER OBJECTIVE FUNCTION: 651.6600

ATOM 1 N GLU 1 -11.290 32.119 24.504 1.00 0.10

ISG 2

ATOM 2 CA GLU 1 -11.705 30.781 24.980 1.00 0.10

ISG 3

ATOM 3 CB GLU 1 -12.662 30.915 26.173 1.00 0.10

ISG 4

ATOM 4 CG GLU 1 -12.000 31.521 27.412 1.00 0.10

ISG 5

ATOM 5 CD GLU 1 -13.071 31.674 28.480 1.00 0.10

ISG 6

ATOM 6 OEl GLU 1 -13.910 30.744 28.617 1.00 0.10

ISG 7

ATOM 7 OE2 GLU 1 -13.069 32.730 29.167 1.00 0.10

ISG 8

ATOM 8 C GLU 1 -12.419 30.046 23.898 1.00 0.10

ISG 9

ATOM 9 O GLU 1 -12.701 30.604 22.839 1.00 0.10

ISG 10

ATOM 10 N VAL 2 -12.714 28.754 24.131 1.00 0.25

ISG 11

ATOM 11 CA VAL 2 -13.443 28.036 23.132 1.00 0.25

ISG 12

ATOM 12 CB VAL 2 -12.938 26.646 22.882 1.00 0.25

ISG 13

ATOM 13 CGl VAL 2 -13.886 25.956 21.885 1.00 0.25

ISG 14

ATOM 14 CG2 VAL 2 -11.482 26.738 22.392 1.00 0.25

ISG 15

ATOM 15 C VAL 2 -14.850 27.958 23.624 1.00 0.25

ISG 16

ATOM 16 O VAL 2 -15.100 27.542 24.753 1.00 0.25

ISG 17

ATOM 17 N GLU 3 -15.817 28.377 22.787 1.00 0.60

ISG 18

ATOM 18 CA GLU 3 -17.169 28.381 23.257 1.00 0.60

ISG 19

ATOM 19 CB GLU 3 -17.908 29.718 23.030 1.00 0.60

ISG 20

ATOM 20 CG GLU 3 -17.822 30.269 21.604 1.00 0.60

ISG 21

ATOM 21 CD GLU 3 -18.688 29.409 20.698 1.00 0.60

ISG 22

ATOM 22 OEl GLU 3 -19.743 28.911 21.180 1.00 0.60

ISG 23

ATOM 23 OE2 GLU 3 -18.300 29.229 19.514 1.00 0.60

ISG 24

ATOM 24 C GLU 3 -17.941 27.273 22.622 1.00 0.60

ISG 25

ATOM 25 O GLU 3 -17.756 26.951 21.450 1.00 0.60

ISG 26

ATOM 26 N TYR 4 -18.797 26.601 23.421 1.00 0.74

ISG 27 285

ATOM 27 CA TYR 4 -19 .639 25 .609 22 .827 1, .00 0 .74

ISG 28

ATOM 28 CB TYR 4 -19 .228 24. .137 23 .032 1, , 00 0 .74

ISG 29

ATOM 29 CG TYR 4 -20 .240 23. .338 22 .275 1. , 00 0 .74

ISG 30

ATOM 30 CDl TYR 4 -20 .388 23. ,531 20 .919 1. 00 0 .74

ISG 31

ATOM 31 CD2 TYR 4 -21 .075 22. ,447 22 .908 1. 00 0 .74

ISG 32

ATOM 32 CEl TYR 4 -21 .324 22. 826 20 .198 1. 00 0 .74

ISG 33

ATOM 33 CE2 TYR 4 -22 .011 21. 733 22 .194 1. 00 0 .74

ISG 34

ATOM 34 CZ TYR 4 -22 .140 21. 923 20 .836 1. 00 0 .74

ISG 35

ATOM 35 OH TYR 4 -23 .103 21. 200 20 .097 1. 00 0 .74

ISG 36

ATOM 36 C TYR 4 -21 .037 25. 836 23 .310 1. 00 0 .74

ISG 37

ATOM 37 O TYR 4 -21 .248 26. 320 24 .422 1. 00 0 .74

ISG 38

ATOM 38 N ARG 5 -22 .033 25. 530 22 .455 1. 00 0 .50

ISG 39

ATOM 39 CA ARG 5 -23 .400 25. 766 22 .821 1. 00 0 .50

ISG 40

ATOM 40 CB ARG 5 -24 .154 26. 650 21 .812 1. 00 0 .50

ISG 41

ATOM 41 CG ARG 5 -23 .742 28. 122 21 .897 1. 00 0 .50

ISG 42

ATOM 42 CD ARG 5 -24 , .199 28. 974 20 .713 1. 00 0 .50

ISG 43

ATOM 43 NE ARG 5 -25 , ,563 28. 520 20 .320 1. 00 0 .50

ISG 44

ATOM 44 CZ ARG 5 -25. .701 27. 516 19 .410 1. 00 0 .50

ISG 45

ATOM 45 NHl ARG 5 -24. 592 26. 916 18 .880 1. 00 0 .50

ISG 46

ATOM 46 NH2 ARG 5 -26. 946 27. 111 19 .023 1. 00 0 .50

ISG 47

ATOM 47 C ARG 5 -24. 100 24. 449 22 .925 1. 00 0 .50

ISG 48

ATOM 48 O ARG 5 -23. 994 23. 599 22 .045 1. 00 0 .50

ISG 49

ATOM 49 N ALA 6 -24. 849 24. 250 24 .025 1. 00 0 .29

ISG 50

ATOM 50 CA ALA 6 ^■25. 488 22. 983 24 .239 1. 00 0 .29

ISG 51

ATOM 51 CB ALA 6 ^■25 . 003 22. 259 25 .510 1. 00 0 .29

ISG 52

ATOM 52 C ALA 6 ^•26. 965 23. 184 24 .371 1. 00 0 .29

ISG 53

ATOM 53 O ALA 6 •27. 443 24. 300 24 .574 1. 00 0 .29

ISG 54

ATOM 54 N GLU 7 27. 724 22. 074 24 .232 1. 00 0 .38

ISG 55 286

ATOM 55 CA GLU 7 -29 .158 22 , .080 24 , .321 1 .00 0 .38

ISG 56

ATOM 56 CB GLU 7 -29 .835 21. ,350 23. , 145 1 .00 0 .38

ISG 57

ATOM 57 CG GLU 7 -31 .363 21. 338 23. .211 1 .00 0 .38

ISG 58

ATOM 58 CD GLU 7 -31 .869 20. 456 22. 074 1 .00 0 .38

ISG 59

ATOM 59 OEl GLU 7 -31 .194 19. 434 21. 764 1 .00 0 .38

ISG 60

ATOM 60 OE2 GLU 7 -32 .934 20. 790 21. 497 1 .00 0 .38

ISG 61

ATOM 61 C GLU 7 -29 .550 21. 329 25. 554 1 .00 0 .38

ISG 62

ATOM 62 O GLU 7 -29 .112 20. 201 25. 776 1 .00 0 .38

ISG 63

ATOM 63 N VAL 8 -30 .427 21. 932 26. 378 1 .00 0 .41

ISG 64

ATOM 64 CA VAL 8 -30 .818 21. 313 27. 609 1 .00 0 .41

ISG 65

ATOM 65 CB VAL 8 -31 .748 22. 169 28. 425 1 .00 0 .41

ISG 66

ATOM 66 CGl VAL 8 -33 .135 22. 151 27. 764 1 .00 0 .41

ISG 67

ATOM 67 CG2 VAL 8 -31 .731 21. 694 29. 886 1. .00 0 .41

ISG 68

ATOM 68 C VAL 8 -31 .502 20. 026 27. 283 1 , .00 0, .41

ISG 69

ATOM 69 O VAL 8 -32 .251 19. 929 26. 312 1. , 00 0 , .41

ISG 70

ATOM 70 N GLY 9 -31. .229 18. 980 28. 082 1. 00 0. ,31

ISG 71

ATOM 71 CA GLY 9 -31. .878 17. 725 27. 863 1. 00 0. 31

ISG 72

ATOM 72 C GLY 9 -30. ,963 16. 815 27. 110 1. 00 0. 31

ISG 73

ATOM 73 O GLY 9 -31. ,108 15. 595 27. 181 1. 00 0. 31

ISG 74

ATOM 74 N GLN 10 -29. , 982 17. 364 26. 367 1. 00 0. 42

ISG 75

ATOM 75 CA GLN 10 ^■29. 129 16. 439 25. 683 1. 00 0. 42

ISG 76

ATOM 76 CB GLN 10 -29. 142 16. 535 24. 152 1. 00 0. 42

ISG 77

ATOM 77 CG GLN 10 ^■28 . 529 15. 287 23. 504 1. 00 0. 42

ISG 78

ATOM 78 CD GLN 10 28. 828 15. 290 22. 011 1. 00 0. 42

ISG 79

ATOM 79 OEl GLN 10 28. 309 16. 117 21. 261 1. 00 0. 42

ISG 80

ATOM 80 NE2 GLN 10 ^■29. 683 14. 333 21. 561 1. 00 0. 42

ISG 81

ATOM 81 C GLN 10 27. 736 16. 630 26. 179 1. 00 0. 42

ISG 82

ATOM 82 O GLN 10 27. 428 17. 614 26. 851 1. 00 0. 42

ISG 83 287

ATOM 83 N ASN 11 26 .849 15 .660 25 .884 1 .00 0 .46

ISG 84

ATOM 84 CA ASN 11 25 .522 15 .796 26 .402 1 .00 0 .46

ISG 85

ATOM 85 CB ASN 11 ^■24 .675 14 .514 26 .442 1 .00 0 .46

ISG 86

ATOM 86 CG ASN 11 24 .239 14 .191 25 .029 1 .00 0 .46

ISG 87

ATOM 87 ODl ASN 11 23 .115 14 .499 24 .635 1 .00 0 .46

ISG 88

ATOM 88 ND2 ASN 11 25 .153 13 .565 24 .244 1 .00 0 .46

ISG 89

ATOM 89 C ASN 11 24 .783 16 .792 25 .572 1 .00 0 .46

ISG 90

ATOM 90 O ASN 11 25 .087 16 .991 24 .397 1 .00 0 .46

ISG 91

ATOM 91 N ALA 12 23 .788 17 .465 26 .171 1 .00 0 .38

ISG 92

ATOM 92 CA ALA 12 23 .028 18 .421 25 .419 1 .00 0 .38

ISG 93

ATOM 93 CB ALA 12 23 .137 19 .854 25 .967 1 .00 0 .38

ISG 94

ATOM 94 C ALA 12 21 .591 18 .015 25 .512 1 .00 0 .38

ISG 95

ATOM 95 O ALA 12 21 .183 17 .437 26 .518 1 .00 0 .38

ISG 96

ATOM 96 N TYR 13 20 .767 18 .264 24 .468 1 .00 0 .47

ISG 97

ATOM 97 CA TYR 13 19 .414 17 .836 24 .678 1 .00 0 .47

ISG 98

ATOM 98 CB TYR 13 19 .039 16 .531 23 .946 1 .00 0 .47

ISG 99

ATOM 99 CG TYR 13 18 .681 16 .686 22 .512 1 .00 0 .47

ISG 100

ATOM 100 CDl TYR 13 19 .514 17 .261 21 .584 1 .00 0 .47

ISG 101

ATOM 101 CD2 TYR 13 17 .485 16 .145 22 .105 1 .00 0 .47

ISG 102

ATOM 102 CEl TYR 13 19 .114 17 .347 20 .268 1 .00 0 .47

ISG 103

ATOM 103 CE2 TYR 13 17 .082 16 .222 20 .796 1 .00 0 .47

ISG 104

ATOM 104 CZ TYR 13 17 .898 16 .832 19 .881 1 .00 0 .47

ISG 105

ATOM 105 OH TYR 13 17 .488 16 .914 18 .541 1 .00 0 .47

ISG 106

ATOM 106 C TYR 13 18 .435 18 .937 24 .392 1 .00 0 .47

ISG 107

ATOM 107 O TYR 13 18 .649 19 .778 23 .517 1 .00 0 .47

ISG 108

ATOM 108 N LEU 14 17 .344 18 .960 25 .189 1 .00 0 .58

ISG 109

ATOM 109 CA LEU 14 16 .272 19 .927 25 .187 1 .00 0 .58

ISG 110

ATOM 110 CB LEU 14 15 .826 20 .229 26 .633 1 .00 0 .58

ISG 111 288

ATOM 111 CG LEU 14 -16. ,792 21 .053 27 .510 1 .00 0 .58

ISG 112

ATOM 112 CD2 LEU 14 ^■18 . ,247 20 .793 27 .106 1 .00 0 .58

ISG 113

ATOM 113 CDl LEU 14 ^■16. 505 22 .552 27 .423 1 .00 0 .58

ISG 114

ATOM 114 C LEU 14 15. 078 19 .243 24 .573 1 .00 0 .58

ISG 115

ATOM 115 O LEU 14 14. 401 18 .476 25 .249 1 .00 0 .58

ISG 116

ATOM 116 N PRO 15 14. 793 19 .486 23 .323 1 .00 0 .57

ISG 117

ATOM 117 CA PRO 15 13. 679 18 .873 22 .652 1 .00 0 .57

ISG 118

ATOM 118 CD PRO 15 15. 425 20 .530 22 .542 1 .00 0 .57

ISG 119

ATOM 119 CB PRO 15 13. 793 19 .322 21 .201 1 .00 0 .57

ISG 120

ATOM 120 CG PRO 15 14. 513 20 .681 21 .314 1 .00 0 .57

ISG 121

ATOM 121 C PRO 15 12. 364 19 .283 23 .254 1 .00 0 .57

ISG 122

ATOM 122 O PRO 15 12. 131 20 .480 23 .429 1 .00 0 .57

ISG 123

ATOM 123 N CYS 16 11. 481 18 .306 23 .552 1 .00 0 .44

ISG 124

ATOM 124 CA CYS 16 10. 178 18 .591 24 .083 1, .00 0 .44

ISG 125

ATOM 125 CB CYS 16 10. 176 18 .671 25 .631 1, .00 0 .44

ISG 126

ATOM 126 SG CYS 16 -8. 575 19 .140 26 .363 1. ,00 0 .44

ISG 127

ATOM 127 C CYS 16 -9. 305 17 .439 23 .678 1. .00 0 .44

ISG 128

ATOM 128 O CYS 16 -9. 579 16 .293 24 , .037 1. 00 0 .44

ISG 129

ATOM 129 N PHE 17 -8. 230 17 .706 22 , .903 1. 00 0 .44

ISG 130

ATOM 130 CA PHE 17 -7. 388 16 .612 22 , .507 1. 00 0 .44

ISG 131

ATOM 131 CB PHE 17 -7. 720 16 .028 21. ,118 1. 00 0 .44

ISG 132

ATOM 132 CG PHE 17 -7. 450 17 .063 20. 078 1. 00 0 .44

ISG 133

ATOM 133 CDl PHE 17 -8. 365 18 .056 19. 804 1. 00 0 .44

ISG 134

ATOM 134 CD2 PHE 17 -6. 272 17 .029 19. 368 1. 00 0 .44

ISG 135

ATOM 135 CEl PHE 17 -8. 104 19 .002 18. 840 1. 00 0 .44

ISG 136

ATOM 136 CE2 PHE 17 -6. 006 17 .971 18. 404 1. 00 0 .44

ISG 137

ATOM 137 CZ PHE 17 -6. 922 18 .960 18. 140 1. 00 0 .44

ISG 138

ATOM 138 C PHE 17 -5. 961 17 .066 22. 484 1. 00 0 .44

ISG 139 289

ATOM 139 O PHE 17 -5 .677 18 .263 22 .485 1. .00 0 .44

ISG 140

ATOM 140 N TYR 18 -5 .020 16 .098 22 .504 1. .00 0 .42

ISG 141

ATOM 141 CA TYR 18 -3 .618 16 .392 22 .423 1. .00 0 .42

ISG 142

ATOM 142 CB TYR 18 -2 .935 16 .567 23 .790 1. 00 0 .42

ISG 143

ATOM 143 CG TYR 18 .957 15 .260 24 .508 1. 00 0 .42

ISG 144

ATOM 144 CDl TYR 18 -4 .060 14 .879 25 .236 1. 00 0 .42

ISG 145

ATOM 145 CD2 TYR 18 -1 .879 14 .407 24 .444 1. 00 0 .42

ISG 146

ATOM 146 CEl TYR 18 -4 .081 13 .675 25 .901 1. 00 0 .42

ISG 147

ATOM 147 CE2 TYR 18 -1 .894 13 .203 25 .107 1. 00 0 .42

ISG 148

ATOM 148 CZ TYR 18 -2 .997 12 .832 25 .836 1. 00 0 .42

ISG 149

ATOM 149 OH TYR 18 -3 .012 11 .596 26 .516 1. 00 0 .42

ISG 150

ATOM 150 C TYR 18 — 2 .972 15 .243 21 .719 1. 00 0 .42

ISG 151

ATOM 151 O TYR 18 -3 .546 14 .159 21 .622 1. 00 0 .42

ISG 152

ATOM 152 N THR 19 -1 .749 15 .451 21 .196 1. 00 0 .40

ISG 153

ATOM 153 CA THR 19 -1 , .102 14. .393 20 .478 1. 00 0 .40

ISG 154

ATOM 154 CB THR 19 -0. .287 14. .874 19 .315 1. 00 0 .40

ISG 155

ATOM 155 OGl THR 19 -1. .119 15. .586 18 .412 1. 00 0 .40

ISG 156

ATOM 156 CG2 THR 19 0. .354 13. 664 18 .609 1. 00 0. .40

ISG 157

ATOM 157 C THR 19 -0. 164 13. 710 21 .408 1. 00 0. ,40

ISG 158

ATOM 158 O THR 19 0. 552 14. 342 22 .186 1. 00 0. ,40

ISG 159

ATOM 159 N PRO 20 -0. 175 12. 412 21 .349 1. 00 0. .49

ISG 160

ATOM 160 CA PRO 20 0. 731 11. 722 22 .225 1. 00 0. 49

ISG 161

ATOM 161 CD PRO 20 -1. 492 11. 791 21 .368 1. 00 0. 49

ISG 162

ATOM 162 CB PRO 20 0. 001 10. 482 22 .716 1. 00 0. 49

ISG 163

ATOM 163 CG PRO 20 -1. 475 10. 832 22 .564 1. 00 0. 49

ISG 164

ATOM 164 C PRO 20 1. 962 11. 378 21 .456 1. 00 0. 49

ISG 165

ATOM 165 O PRO 20 2. 656 10. 437 21 .837 1. 00 0. 49

ISG 166

ATOM 166 N ALA 21 2. 254 12. 139 20 .386 1. 00 0. 32

ISG 167 290

ATOM 167 CA ALA 21 3 .416 11 .899 19 .586 1 .00 0 .32

ISG 168

ATOM 168 CB ALA 21 3 .450 12 .770 18 .317 1 .00 0 .32

ISG 169

ATOM 169 C ALA 21 4 .646 12 .211 20 .379 1 .00 0 .32

ISG 170

ATOM 170 O ALA 21 5 .602 ] 1 .436 20 .379 1 .00 0 .32

ISG 171

ATOM 171 N ALA 22 4 .652 13 .348 21 .104 1 .00 0 .33

ISG 172

ATOM 172 CA ALA 22 5 .862 13 .729 21 .775 1 .00 0 .33

ISG 173

ATOM 173 CB ALA 22 6 .222 15 .217 21 .593 1 .00 0 .33

ISG 174

ATOM 174 C ALA 22 5 .747 13 .469 23 .238 1 .00 0 .33

ISG 175

ATOM 175 O ALA 22 6 .685 12 .973 23 .859 1 .00 0 .33

ISG 176

ATOM 176 N PRO 23 4 .628 13 .764 23 .826 1 .00 0 .50

ISG 177

ATOM 177 CA PRO 23 4 .524 13 .513 25 .232 1 .00 0 .50

ISG 178

ATOM 178 CD PRO 23 3 .834 14 .914 23 .420 1 .00 0 .50

ISG 179

ATOM 179 CB PRO 23 3 .298 14 .286 25 .703 1 .00 0 .50

ISG 180

ATOM 180 CG PRO 23 3 .213 15 .462 24 .715 1 .00 0 .50

ISG 181

ATOM 181 C PRO 23 4 .434 12 .044 25 .437 1 .00 0 .50

ISG 182

ATOM 182 O PRO 23 4 .435 11 .596 26 .584 1 .00 0 .50

ISG 183

ATOM 183 N GLY 24 4 .357 11 .277 24 .336 1 .00 0 .40

ISG 184

ATOM 184 CA GLY 24 4 .228 9 .870 24 .472 1 .00 0 .40

ISG 185

ATOM 185 C GLY 24 2 .776 9 .646 24 .469 1 .00 0 .40

ISG 186

ATOM 186 O GLY 24 2 .005 10 .579 24 .701 1 .00 0 .40

ISG 187

ATOM 187 N ASN 25 2 .372 8 .381 24 .261 1 .00 0 .48

ISG 188

ATOM 188 CA ASN 25 0 .987 8 .038 24 .190 1 .00 0 .48

ISG 189

ATOM 189 CB ASN 25 0 .751 6 .550 23 .881 1 .00 0 .48

ISG 190

ATOM 190 CG ASN 25 1 .339 5 .742 25 .027 1 .00 0 .48

ISG 191

ATOM 191 ODl ASN 25 2 .546 5 .765 25 .258 1 .00 0 .48

ISG 192

ATOM 192 ND2 ASN 25 0 .462 5 .016 25 .771 1 .00 0 .48

ISG 193

ATOM 193 C ASN 25 0 .318 8 .333 25 .491 1 .00 0 .48

ISG 194

ATOM 194 O ASN 25 0 .884 8 .108 25 .622 1 .00 0 .48

ISG 195 291

ATOM 195 N LEU 26 1 .037 8 .864 26.500 1 .00 0 .59

ISG 196

ATOM 196 CA LEU 26 0 .278 9 .074 27.680 1 .00 0 .59

ISG 197

ATOM 197 CB LEU 26 0 .299 7 .868 28.642 1 .00 0 .59

ISG 198

ATOM 198 CG LEU 26 1 .699 7 .404 29.105 1 .00 0 .59

ISG 199

ATOM 199 CD2 LEU 26 2 .374 8 .432 30.026 1 .00 0 .59

ISG 200

ATOM 200 CDl LEU 26 2 .575 6 .963 27.920 1 .00 0 .59

ISG 201

ATOM 201 C LEU 26 0 .727 10 .275 28.415 1 .00 0 .59

ISG 202

ATOM 202 O LEU 26 1 .906 10 .619 28.443 1 .00 0 .59

ISG 203

ATOM 203 N VAL 27 0 .271 10 .950 29.007 1 .00 0 .38

ISG 204

ATOM 204 CA VAL 27 0 .125 12 .118 29.804 1 .00 0 .38

ISG 205

ATOM 205 CB VAL 27 0 .139 13 .360 28.963 1 .00 0 .38

ISG 206

ATOM 206 CGl VAL 27 0 .313 14 .583 29.870 1 .00 0 .38

ISG 207

ATOM 207 CG2 VAL 27 1 .146 13 .386 28.118 1 .00 0 .38

ISG 208

ATOM 208 C VAL 27 1 .350 12 .170 30.668 1 .00 0 .38

ISG 209

ATOM 209 O VAL 27 2 .379 11 .592 30.322 1 .00 0 .38

ISG 210

ATOM 210 N PRO 28 1 .251 12 .812 31.804 1 .00 0 .33

ISG 211

ATOM 211 CA PRO 28 2 .394 12 .965 32.670 1 .00 0 .33

ISG 212

ATOM 212 CD PRO 28 0 .008 12 .774 32.555 1 .00 0 .33

ISG 213

ATOM 213 CB PRO 28 1 .842 13 .127 34.088 1 .00 0 .33

ISG 214

ATOM 214 CG PRO 28 0 .351 13 .449 33.891 1 .00 0 .33

ISG 215

ATOM 215 C PRO 28 3 .265 14 .116 32.251 1 .00 0 .33

ISG 216

ATOM 216 O PRO 28 2 .754 15 .055 31.640 1 .00 0 .33

ISG 217

ATOM 217 N VAL 29 4 .579 14 .067 32.575 1 .00 0 .65

ISG 218

ATOM 218 CA VAL 29 5 .468 15 .149 32.243 1 .00 0 .65

ISG 219

ATOM 219 CB VAL 29 6 .290 14 .932 31.004 1 .00 0 .65

ISG 220

ATOM 220 CGl VAL 29 7 .356 13 .862 31.290 1 .00 0 .65

ISG 221

ATOM 221 CG2 VAL 29 6 .881 16 .287 30.579 1 .00 0 .65

ISG 222

ATOM 222 C VAL 29 6 .440 15 .339 33.373 1 .00 0 .65

ISG 223 292

ATOM 223 O VAL 29 -6 .792 14 .393 34 .075 1 .00 0 .65

ISG 224

ATOM 224 N CYS 30 -6 .909 16 .593 33 .549 1 .00 0 .78

ISG 225

ATOM 225 CA CYS 30 -7 .778 17 .002 34 .625 1 .00 0 .78

ISG 226

ATOM 226 CB CYS 30 -6 .968 17 .942 35 .560 1 .00 0 .78

ISG 227

ATOM 227 SG CYS 30 - 1 .522 18 .353 37 .253 1 .00 0 .78

ISG 228

ATOM 228 C CYS 30 -8 .826 17 .884 33 .995 1 .00 0 .78

ISG 229

ATOM 229 O CYS 30 -8 .515 18 .638 33 .074 1 .00 0 .78

ISG 230

ATOM 230 N TRP 31 10 .093 17 .813 34 .463 1 .00 0 .38

ISG 231

ATOM 231 CA TRP 31 11 .119 18 .704 33 .975 1 .00 0 .38

ISG 232

ATOM 232 CB TRP 31 12 .322 18 .008 33 .309 1 .00 0 .38

ISG 233

ATOM 233 CG TRP 31 12 .086 17 .452 31 .922 1 .00 0 .38

ISG 234

ATOM 234 CD2 TRP 31 12 .369 18 .183 30 .718 1 .00 0 .38

ISG 235

ATOM 235 CDl TRP 31 11 .621 16 .229 31 .532 1 .00 0 .38

ISG 236

ATOM 236 NEl TRP 31 11 .600 16 .151 30 .160 1 .00 0 .38

ISG 237

ATOM 237 CE2 TRP 31 12 .058 17 .348 29 .646 1 .00 0 .38

ISG 238

ATOM 238 CE3 TRP 31 12 .853 19 .447 30 .523 1 .00 0 .38

ISG 239

ATOM 239 CZ2 TRP 31 12 .228 17 .764 28 .356 1 .00 0 .38

ISG 240

ATOM 240 CZ3 TRP 31 13 .019 19 .868 29 .221 1 .00 0 .38

ISG 241

ATOM 241 CH2 TRP 31 12 .712 19 .040 28 .160 1 .00 0 .38

ISG 242

ATOM 242 C TRP 31 11 .659 19 .457 35 .154 1 .00 0 .38

ISG 243

ATOM 243 O TRP 31 11 .712 18 .925 36 .262 1 .00 0 .38

ISG 244

ATOM 244 N GLY 32 12 .082 20 .727 34 .957 ] .00 0 .24

ISG 245

ATOM 245 CA GLY 32 12 .565 21 .460 36 .097 1 .00 0 .24

ISG 246

ATOM 246 C GLY 32 13 .427 22 .609 35 .667 1 .00 0 .24

ISG 247

ATOM 247 O GLY 32 13 .345 23 .089 34 .536 1 .00 0 .24

ISG 248

ATOM 248 N LYS 33 14 .287 23 .072 36 .600 1 .00 0 .38

ISG 249

ATOM 249 CA LYS 33 15 .165 24 .188 36 .391 1 .00 0 .38

ISG 250

ATOM 250 CB LYS 33 16 .381 24 .179 37 .335 1 .00 0 .38

ISG 251 293

ATOM 251 CG LYS 33 -17 .463 23 .163 36 .964 1 .00 0 .38

ISG 252

ATOM 252 CD LYS 33 -18 .219 23 .522 35 .684 1 .00 0 .38

ISG 253

ATOM 253 CE LYS 33 ^■19 .124 24 .745 35 .849 1 .00 0 .38

ISG 254

ATOM 254 NZ LYS 33 -19 .840 25 .030 34 .586 1 .00 0 .38

ISG 255

ATOM 255 C LYS 33 ^■14 .399 25 .432 36 .699 1 .00 0 .38

ISG 256

ATOM 256 O LYS 33 13 .535 25 .442 37 .574 1 .00 0 .38

ISG 257

ATOM 257 N GLY 34 •14 .711 26 .527 35 .979 1 .00 0 .22

ISG 258

ATOM 258 CA GLY 34 14 .037 27 .772 36 .206 1 .00 0 .22

ISG 259

ATOM 259 C GLY 34 12 .868 27 .821 35 .277 1 .00 0 .22

ISG 260

ATOM 260 O GLY 34 12 .459 26 .802 34 .722 1 .00 0 .22

ISG 261

ATOM 261 N ALA 35 12 .286 29 .022 35 .095 1 .00 0 .10

ISG 262

ATOM 262 CA ALA 35 11 .168 29 .152 34 .207 1 .00 0 .10

ISG 263

ATOM 263 CB ALA 35 10 .770 30 .611 33 .921 1 .00 0 .10

ISG 264

ATOM 264 C ALA 35 10 .000 28 .469 34 .845 1 .00 0 .10

ISG 265

ATOM 265 O ALA 35 -9, .942 28 .324 36 .064 1. .00 0, .10

ISG 266

ATOM 266 N CYS 36 -9. , 036 28 .025 34 , .014 1. , 00 0, .17

ISG 267

ATOM 267 CA CYS 36 -7. .890 27 , .291 34. .478 1. ,00 0. .17

ISG 268

ATOM 268 CB CYS 36 -6. 941 26. ,889 33. 338 1. 00 0. ,17

ISG 269

ATOM 269 SG CYS 36 -7. 728 25. 866 32. 059 1. 00 0. 17

ISG 270

ATOM 270 C CYS 36 -7. 089 28. 143 35. 419 1. 00 0. 17

ISG 271

ATOM 271 O CYS 36 -6. 828 29. 315 35. 150 1. 00 0. 17

ISG 272

ATOM 272 N PRO 37 -6. 719 27. 570 36. 540 1. 00 0. 29

ISG 273

ATOM 273 CA PRO 37 -5. 901 28. 278 37. 495 1. 00 0. 29

ISG 274

ATOM 274 CD PRO 37 -7. 629 26. 642 37. 196 1. 00 0. 29

ISG 275

ATOM 275 CB PRO 37 -6. 077 27. 543 38. 822 1. 00 0. 29

ISG 276

ATOM 276 CG PRO 37 -7. 460 26. 885 38. 703 1. 00 0. 29

ISG 277

ATOM 277 C PRO 37 -4. 472 28. 310 37. 057 1. 00 0. 29

ISG 278

ATOM 278 O PRO 37 -4. 201 28. 392 35. 860 1. 00 0. 29

ISG 279 294

ATOM 279 N VAL 38 -3 .542 28 .192 38 .026 1. .00 0. .45

ISG 280

ATOM 280 CA VAL 38 - 2 .141 28 , .176 37 .730 1. 00 0. ,45

ISG 281

ATOM 281 CB VAL 38 -1 .330 29. .012 38 .680 1. 00 0. .45

ISG 282

ATOM 282 CGl VAL 38 -1 .542 28. 503 40 .115 1. 00 0. 45

ISG 283

ATOM 283 CG2 VAL 38 0 .138 28. 977 38 .223 1. 00 0. 45

ISG 284

ATOM 284 C VAL 38 -1 .701 26. 753 37 .856 1. 00 0. 45

ISG 285

ATOM 285 O VAL 38 -0 .917 26. 259 37 .045 1. 00 0. 45

ISG 286

ATOM 286 N PHE 39 -2 .217 26. 053 38 .885 1. 00 0. 63

ISG 287

ATOM 287 CA PHE 39 -1 .875 24. 680 39 .107 1. 00 0. 63

ISG 288

ATOM 288 CB PHE 39 -1 .180 24. 443 40 .463 1. 00 0. 63

ISG 289

ATOM 289 CG PHE 39 -2 .027 25. 051 41 .532 1. 00 0. 63

ISG 290

ATOM 290 CDl PHE 39 -3 .137 24. 405 42 .025 1. 00 0. 63

ISG 291

ATOM 291 CD2 PHE 39 -1. .699 26. 282 42 .051 1. 00 0. 63

ISG 292

ATOM 292 CEl PHE 39 -3. .909 24. 977 43 .009 1. 00 0. 63

ISG 293

ATOM 293 CE2 PHE 39 -2. .465 26. 861 43 .036 1. 00 0. 63

ISG 294

ATOM 294 CZ PHE 39 -3. .573 26. 209 43 .518 1. 00 0. 63

ISG 295

ATOM 295 C PHE 39 -3. .129 23. 857 39 .053 1. 00 0. 63

ISG 296

ATOM 296 O PHE 39 -4. 192 24. 287 39 .495 1. 00 0. 63

ISG 297

ATOM 297 N GLU 40 -3. 003 22. 634 38 .495 1. 00 0. 93

ISG 298

ATOM 298 CA GLU 40 •4. 044 21. 654 38 .310 1. 00 0. 93

ISG 299

ATOM 299 CB GLU 40 •4. 242 20. 686 39 .492 1. 00 0. 93

ISG 300

ATOM 300 CG GLU 40 555 21. 357 40 .829 1. 00 0. 93

ISG 301

ATOM 301 CD GLU 40 ^•3. 242 21. 497 41 .582 1. 00 0. 93

ISG 302

ATOM 302 OEl GLU 40 201 21. 727 40 .912 1. 00 0. 93

ISG 303

ATOM 303 OE2 GLU 40 3. 261 21. 375 42 .837 1. 00 0. 93

ISG 304

ATOM 304 C GLU 40 5. 362 22. 270 37 .961 1. 00 0. 93

ISG 305

ATOM 305 O GLU 40 429 23. 351 37 .379 1. 00 0. 93

ISG 306

ATOM 306 N CYS 41 6. 468 21. 562 38 .281 1. 00 0. 95

ISG 307 295

ATOM 3 07 CA CYS 41 ~ 1 .733 22 .106 37 .893 1 , .00 0 .95

ISG 3 08

ATOM 308 CB CYS 41 -8 .482 21 .300 36. .792 1. .00 0 .95

ISG 309

ATOM 309 SG CYS 41 -9 .113 19 .620 37 , .121 1. .00 0 .95

ISG 310

ATOM 310 C CYS 41 -8 .562 22 .422 39. ,100 1. ,00 0 .95

ISG 311

ATOM 311 O CYS 41 -8 .422 21 .814 40. .161 1. 00 0 .95

ISG 312

ATOM 312 N GLY 42 -9 .414 23 .461 38. 970 1. 00 0 .49

ISG 313

ATOM 313 CA GLY 42 10 .229 23 .895 40. 066 1. 00 0 .49

ISG 314

ATOM 314 C GLY 42 11 .554 23 .219 39. 931 1. 00 0 .49

ISG 315

ATOM 315 O GLY 42 12 .046 23 .016 38. 823 1. 00 0 .49

ISG 316

ATOM 316 N ASN 43 12 .174 22 .872 41. 078 1. 00 0 .33

ISG 317

ATOM 317 CA ASN 43 13 .449 22 .210 41. 087 1. 00 0 .33

ISG 318

ATOM 318 CB ASN 43 14 .608 23 .110 40. 621 1. 00 0 .33

ISG 319

ATOM 319 CG ASN 43 14 .785 24 .222 41. 646 1. 00 0 .33

ISG 320

ATOM 320 ODl ASN 43 15 .118 25 .354 41. 301 1. 00 0 .33

ISG 321

ATOM 321 ND2 ASN 43 14 .552 23 .894 42. 945 1. 00 0 .33

ISG 322

ATOM 322 C ASN 43 13 .374 21 .028 40. 172 1. 00 0 .33

ISG 323

ATOM 323 O ASN 43 14 , .224 20 .851 39. 302 1. 00 0 .33

ISG 324

ATOM 324 N VAL 44 12. .362 20 .165 40. 386 1. 00 0 .51

ISG 325

ATOM 325 CA VAL 44 12. , 074 19 .041 39. 539 1. 00 0 .51

ISG 326

ATOM 326 CB VAL 44 10. ,993 18 .149 40. 077 1. 00 0 .51

ISG 327

ATOM 327 CGl VAL 44 -9. 694 18 .967 40. 179 1. 00 0 .51

ISG 328

ATOM 328 CG2 VAL 44 11. 465 17 .548 41. 412 1. 00 0 .51

ISG 329

ATOM 329 C VAL 44 13. 279 18 .184 39. 322 1. 00 0 .51

ISG 330

ATOM 330 O VAL 44 14. 030 17 .874 40. 247 1. 00 0 .51

ISG 331

ATOM 331 N VAL 45 13. 489 17 .806 38. 043 1. 00 0 .45

ISG 332

ATOM 332 CA VAL 45 14. 560 16 .945 37. 656 1. 00 0 .45

ISG 333

ATOM 333 CB VAL 45 15. 367 17 .486 36. 510 1. 00 0 .45

ISG 334

ATOM 334 CGl VAL 45 14. 491 17 .528 35. 248 1. 00 0 .45

ISG 335 296

ATOM 335 CG2 VAL 45 16 .634 16 .627 36 .367 1 .00 0 .45

ISG 336

ATOM 336 C VAL 45 13 .968 15 .636 37 .231 1 .00 0 .45

ISG 337

ATOM 337 O VAL 45 14 .532 14 .578 37 .508 1 .00 0 .45

ISG 338

ATOM 338 N LEU 46 12 .805 15 .668 36 .544 1 .00 0 .40

ISG 339

ATOM 339 CA LEU 46 12 .256 14 .439 36 .051 1 .00 0 .40

ISG 340

ATOM 340 CB LEU 46 12 .618 14 .211 34 .578 1 .00 0 .40

ISG 341

ATOM 341 CG LEU 46 14 .139 14 .079 34 .388 1 .00 0 .40

ISG 342

ATOM 342 CD2 LEU 46 14 .713 12 .973 35 .288 1 .00 0 .40

ISG 343

ATOM 343 CDl LEU 46 14 .512 13 .874 32 .916 1 .00 0 .40

ISG 344

ATOM 344 C LEU 46 10 .768 14 .431 36 .173 1 .00 0 .40

ISG 345

ATOM 345 O LEU 46 10 .114 15 .473 36 .197 1 .00 0 .40

ISG 346

ATOM 346 N ARG 47 10 .205 13 .212 36 .296 1 .00 0 .47

ISG 347

ATOM 347 CA ARG 47 -8 .786 13 .040 36 .329 1 .00 0 .47

ISG 348

ATOM 348 CB ARG 47 -8 .199 12 .900 37 .746 1 .00 0 .47

ISG 349

ATOM 349 CG ARG 47 -6 .678 13 .073 37 .779 1 .00 0 .47

ISG 350

ATOM 350 CD ARG 47 -6 .082 13 .114 39 .189 1 .00 0 .47

ISG 351

ATOM 351 NE ARG 47 -5 .936 11 .709 39 .663 1 .00 0 .47

ISG 352

ATOM 352 CZ ARG 47 -5 .073 11 .418 40 .680 1 .00 0 .47

ISG 353

ATOM 353 NHl ARG 47 -4 .348 12 .415 41 .266 1 .00 0 .47

ISG 354

ATOM 354 NH2 ARG 47 -4 .932 10 .129 41 .107 1 .00 0 .47

ISG 355

ATOM 355 C ARG 47 -8 .520 11 .776 35 .579 1 .00 0 .47

ISG 356

ATOM 356 O ARG 47 -9 .297 10 .824 35 .657 1 .00 0 .47

ISG 357

ATOM 357 N THR 48 -7 .421 11 .738 34 .803 1 .00 0 .34

ISG 358

ATOM 358 CA THR 48 -7 .115 10 .545 34 .070 1 .00 0 .34

ISG 359

ATOM 359 CB THR 48 -7 .142 10 .702 32 .581 1 .00 0 .34

ISG 360

ATOM 360 OGl THR 48 -6 .084 11 .548 32 .158 1 .00 0 .34

ISG 361

ATOM 361 CG2 THR 48 -8 .505 11 .295 32 .181 1 .00 0 .34

ISG 362

ATOM 362 C THR 48 -5 .717 10 .176 34 .421 1 .00 0 .34

ISG 363 297

ATOM 363 O THR 48 4. 934 11 .015 34 .865 1 .00 0 .34

ISG 364

ATOM 364 N ASP 49 5. 376 8 .888 34 .241 1 .00 0 .38

ISG 365

ATOM 365 CA ASP 49 4. 055 8 .450 34 .561 1 .00 0 .38

ISG 366

ATOM 366 CB ASP 49 4. 025 7 .105 35 .310 1 .00 0 .38

ISG 367

ATOM 367 CG ASP 49 4. 595 6 .028 34 .398 1 .00 0 .38

ISG 368

ATOM 368 ODl ASP 49 5. 347 6 .387 33 .454 1 .00 0 .38

ISG 369

ATOM 369 0D2 ASP 49 4. 285 4 .829 34 .634 1 .00 0 .38

ISG 370

ATOM 370 C ASP 49 3. 303 8 .270 33 .285 1 .00 0 .38

ISG 371

ATOM 371 O ASP 49 2. 188 7 .754 33 .327 1 .00 0 .38

ISG 372

ATOM 372 N GLU 50 3. 903 8 .709 32 .147 1 .00 0 .75

ISG 373

ATOM 373 CA GLU 50 3. 361 8 .675 30 .806 1 .00 0 .75

ISG 374

ATOM 374 CB GLU 50 1. 923 8 .141 30 .654 1 .00 0 .75

ISG 375

ATOM 375 CG GLU 50 1. 806 6 .628 30 .863 1 .00 0 .75

ISG 376

ATOM 376 CD GLU 50 0. 335 6 .296 31 .065 1 .00 0 .75

ISG 377

ATOM 377 OEl GLU 50 0. 412 7 .203 31 .520 1 .00 0 .75

ISG 378

ATOM 378 OE2 GLU 50 0. 059 5 .135 30 .781 1 .00 0 .75

ISG 379

ATOM 379 C GLU 50 4. 200 7 .776 29 .947 1 .00 0 .75

ISG 380

ATOM 380 O GLU 50 4. 413 8 .065 28 .769 1 .00 0 .75

ISG 381

ATOM 381 N ARG 51 4. 672 6 .642 30 .504 1 .00 0 .85

ISG 382

ATOM 382 CA ARG 51 5. 408 5 .693 29 .715 1 .00 0 .85

ISG 383

ATOM 383 CB ARG 51 4. 849 4 .264 29 .832 1 .00 0 .85

ISG 384

ATOM 384 CG ARG 51 3. 465 4 .110 29 .198 1 .00 0 .85

ISG 385

ATOM 385 CD ARG 51 2. 883 2 .698 29 .300 1 .00 0 .85

ISG 386

ATOM 386 NE ARG 51 1. 554 2 .720 28 .626 1 .00 0 .85

ISG 387

ATOM 387 CZ ARG 51 0. 726 1 .637 28 .694 1 .00 0 .85

ISG 388

ATOM 388 NHl ARG 51 1. 117 0 .518 29 .371 1 .00 0 .85

ISG 389

ATOM 389 NH2 ARG 51 0. 496 1 .678 28 .087 1 .00 0 .85

ISG 390

ATOM 390 C ARG 51 6. 854 5 .639 30 .117 1 .00 0 .85

ISG 391 298

ATOM 391 O ARG 51 - 7 .713 5 .362 29 .282 1. , 00 0. 85

ISG 392

ATOM 392 N ASP 52 -7 .180 5 .840 31 .411 1. .00 0. 63

ISG 393

ATOM 393 CA ASP 52 -8 .571 5 .743 31 .767 1. 00 0. 63

ISG 394

ATOM 394 CB ASP 52 -8 .968 4 .353 32 .296 1. 00 0. 63

ISG 395

ATOM 395 CG ASP 52 ^■10 .487 4 .235 32 .261 1. 00 0. 63

ISG 396

ATOM 396 ODl ASP 52 ^■11 .137 5 .089 31 .601 1. 00 0. 63

ISG 397

ATOM 397 0D2 ASP 52 11 .016 3 .281 32 .892 1. 00 0. 63

ISG 398

ATOM 398 C ASP 52 -8 .862 6 .727 32 .858 1. 00 0. 63

ISG 399

ATOM 399 O ASP 52 -7 .950 7 .262 33 .486 1. 00 0. 63

ISG 400

ATOM 400 N VAL 53 10 .163 7 .000 33 .102 1. 00 0. 50

ISG 401

ATOM 401 CA VAL 53 10 .530 7 .927 34 .133 1. 00 0. 50

ISG 402

ATOM 402 CB VAL 53 11 .933 8 .460 34 .048 1. 00 0. 50

ISG 403

ATOM 403 CGl VAL 53 12 .007 9 .495 32 .922 1. 00 0. 50

ISG 404

ATOM 404 CG2 VAL 53 12 .891 7 .279 33 .831 1. 00 0. 50

ISG 405

ATOM 405 C VAL 53 10 .364 7 .287 35 .463 1. 00 0. 50

ISG 406

ATOM 406 O VAL 53 10 .723 6 .129 35 .671 1. 00 0. 50

ISG 407

ATOM 407 N ASN 54 -9 .774 8 .050 36 .402 1. 00 0. 52

ISG 408

ATOM 408 CA ASN 54 -9 .603 7 .540 37 .723 1. 00 0. 52

ISG 409

ATOM 409 CB ASN 54 -8 .198 7 .767 38 .314 1. 00 0. 52

ISG 410

ATOM 410 CG ASN 54 _ 7 .955 9 .255 38 .507 1. 00 0. 52

ISG 411

ATOM 411 ODl ASN 54 - 7 .815 10 .008 37 .547 1. 00 0. 52

ISG 412

ATOM 412 ND2 ASN 54 -7 .893 9 .695 39 .792 1. 00 0. 52

ISG 413

ATOM 413 C ASN 54 10 .589 8 .243 38 .596 1. 00 0. 52

ISG 414

ATOM 414 O ASN 54 11 .209 7 .625 39 .456 1. 00 0. 52

ISG 415

ATOM 415 N TYR 55 10 .772 9 .561 38 .383 1. 00 0. 61

ISG 416

ATOM 416 CA TYR 55 11 .662 10 .320 39 .214 1. 00 0. 61

ISG 417

ATOM 417 CB TYR 55 10 .975 11 .551 39 .835 1. 00 0. 61

ISG 418

ATOM 418 CG TYR 55 11 .993 12 .412 40 .503 1. 00 0. 61

ISG 419 299

ATOM 419 CDl TYR 55 -12 .646 13 .396 39 .795 1 .00 0 .61

ISG 420

ATOM 420 CD2 TYR 55 -12 .294 12 .246 41 .834 1 .00 0 .61

ISG 421

ATOM 421 CEl TYR 55 -13 .583 14 .198 40 .403 1 .00 0 .61

ISG 422

ATOM 422 CE2 TYR 55 -13 .231 13 .044 42 .448 1 .00 0 .61

ISG 423

ATOM 423 CZ TYR 55 -13 .878 14 .022 41 .733 1 .00 0 .61

ISG 424

ATOM 424 OH TYR 55 -14 .839 14 .841 42 .363 1 .00 0 .61

ISG 425

ATOM 425 C TYR 55 -12 .808 10 .808 38 .390 1 .00 0 .61

ISG 426

ATOM 426 O TYR 55 -12 .624 11 .331 37 .292 1 .00 0 .61

ISG 427

ATOM 427 N TRP 56 -14 .041 10 .632 38 .910 1 .00 0 .60

ISG 428

ATOM 428 CA TRP 56 -15 .182 11 .112 38 .194 1 .00 0 .60

ISG 429

ATOM 429 CB TRP 56 -15 .954 10 .006 37 .449 1 .00 0 .60

ISG 430

ATOM 430 CG TRP 56 -16 .572 8. .945 38 .332 1 .00 0 .60

ISG 431

ATOM 431 CD2 TRP 56 -17. .940 8 .956 38. .772 1. .00 0 .60

ISG 432

ATOM 432 CDl TRP 56 -16. .016 7. .806 38. .837 1. .00 0 .60

ISG 433

ATOM 433 NEl TRP 56 -16. , 949 7. , 111 39. ,570 1 , .00 0 .60

ISG 434

ATOM 434 CE2 TRP 56 -18. .139 7. .807 39. 536 1. , 00 0 .60

ISG 435

ATOM 435 CE3 TRP 56 -18. 949 9. ,849 38. 554 1. ,00 0 .60

ISG 436

ATOM 436 CZ2 TRP 56 -19. 354 7. 533 40. 096 1. 00 0 .60

ISG 437

ATOM 437 CZ3 TRP 56 -20. 172 9. 573 39. 123 1. 00 0 .60

ISG 438

ATOM 438 CH2 TRP 56 -20. 372 8. 437 39. 879 1. 00 0 .60

ISG 439

ATOM 439 C TRP 56 ^■16. 115 11. 735 39. 176 1. 00 0 .60

ISG 440

ATOM 440 O TRP 56 ^■16. 588 11. 085 40. 108 1. 00 0 .60

ISG 441

ATOM 441 N THR 57 ^■16. 399 13. 036 38. 983 1. 00 0 .41

ISG 442

ATOM 442 CA THR 57 ^■17. 321 13. 718 39. 836 1. 00 0 .41

ISG 443

ATOM 443 CB THR 57 17. 475 15. 170 39. 497 1. 00 0 .41

ISG 444

ATOM 444 OGl THR 57 16. 228 15. 840 39. 608 1. 00 0 .41

ISG 445

ATOM 445 CG2 THR 57 18. 501 15. 791 40. 459 1. 00 0 .41

ISG 446

ATOM 446 C THR 57 18. 646 13. 063 39. 612 1. 00 0 .41

ISG 447 300

ATOM 447 O THR 57 -19 .016 12 .142 40 .337 1 .00 0 .41

ISG 448

ATOM 448 N SER 58 -19 .402 13 .526 38 .593 1 .00 0 .47

ISG 449

ATOM 449 CA SER 58 -20 .703 12 .955 38 .360 1 .00 0 .47

ISG 450

ATOM 450 CB SER 58 -21 .839 13 .927 38 .725 1 .00 0 .47

ISG 451

ATOM 451 OG SER 58 -21 .724 15 .129 37 .976 1 .00 0 .47

ISG 452

ATOM 452 C SER 58 -20 .890 12 .552 36 .901 1 .00 0 .47

ISG 453

ATOM 453 O SER 58 -20 .126 11 .733 36 .390 1 .00 0 .47

ISG 454

ATOM 454 N ARG 59 -21 .919 13 .148 36 .222 1 .00 0 .51

ISG 455

ATOM 455 CA ARG 59 -22 .441 12 .920 34 .879 1 .00 0 .51

ISG 456

ATOM 456 CB ARG 59 -23 .648 13 .811 34 .544 1 .00 0 .51

ISG 457

ATOM 457 CG ARG 59 -23 .301 15 .300 34 .528 1 .00 0 .51

ISG 458

ATOM 458 CD ARG 59 -23 .594 16 .029 35 .838 1 .00 0 .51

ISG 459

ATOM 459 NE ARG 59 -25 .068 16 .218 35 .924 1 .00 0 .51

ISG 460

ATOM 460 CZ ARG 59 -25 .665 17 .188 35 .169 1 .00 0 .51

ISG 461

ATOM 461 NHl ARG 59 -24 .935 17 .886 34 .252 1 .00 0 .51

ISG 462

ATOM 462 NH2 ARG 59 -26 .993 17 .455 35 .323 1 .00 0 .51

ISG 463

ATOM 463 C ARG 59 -21 .405 13 .249 33 .852 1 .00 0 .51

ISG 464

ATOM 464 O ARG 59 -21 .726 13 .529 32 .695 1 .00 0 .51

ISG 465

ATOM 465 N TYR 60 -20 .128 13 .252 34 .256 1 .00 0 .25

ISG 466

ATOM 466 CA TYR 60 ^■19 .089 13 .593 33 .337 1 .00 0 .25

ISG 467

ATOM 467 CB TYR 60 ^■18 .005 14 .486 33 .968 1 .00 0 .25

ISG 468

ATOM 468 CG TYR 60 ^■18 .622 15 .806 34 .287 1 .00 0 .25

ISG 469

ATOM 469 CDl TYR 60 ^■19 .424 15 .940 35 .393 1 .00 0 .25

ISG 470

ATOM 470 CD2 TYR 60 ^■18 .432 16 .903 33 .477 1 .00 0 .25

ISG 471

ATOM 471 CEl TYR 60 ^■20 .005 17 .145 35 .706 1 .00 0 .25

ISG 472

ATOM 472 CE2 TYR 60 ^■19 .009 18 .114 33 .785 1 .00 0 .25

ISG 473

ATOM 473 CZ TYR 60 ^■19 .797 18 .237 34 .905 1 .00 0 .25

ISG 474

ATOM 474 OH TYR 60 20 .393 19 .474 35 .229 1 .00 0 .25

ISG 475 301

ATOM 475 C TYR 60 -18 .416 12 .344 32 .861 1 .00 0 .25

ISG 476

ATOM 476 O TYR 60 -18 .074 11 .469 33 .656 1 .00 0 .25

ISG 477

ATOM 477 N TRP 61 -18 .222 12 .231 31 .528 1 .00 0 .18

ISG 478

ATOM 478 CA TRP 61 -17 .583 11 .069 30 .977 1 .00 0 .18

ISG 479

ATOM 479 CB TRP 61 -18 .577 10 .031 30 .425 1 .00 0 .18

ISG 480

ATOM 480 CG TRP 61 -19 .409 9 .333 31 .475 1 .00 0 .18

ISG 481

ATOM 481 CD2 TRP 61 -18 .958 8 .184 32 .206 1 .00 0 .18

ISG 482

ATOM 482 CDl TRP 61 -20 .666 9 .611 31 .929 1 .00 0 .18

ISG 483

ATOM 483 NEl TRP 61 -21 .028 8 .701 32 .895 1 .00 0 .18

ISG 484

ATOM 484 CE2 TRP 61 -19 .984 7 .816 33 .075 1 .00 0 .18

ISG 485

ATOM 485 CE3 TRP 61 -17 .783 7 .491 32 .155 1 .00 0 .18

ISG 486

ATOM 486 CZ2 TRP 61 -19 .849 6 .744 33 .911 1 .00 0 .18

ISG 487

ATOM 487 CZ3 TRP 61 -17 .651 6 .411 32 .999 1. .00 0 .18

ISG 488

ATOM 488 CH2 TRP 61 -18 .664 6 .044 33 .861 1. .00 0 .18

ISG 489

ATOM 489 C TRP 61 -16 .715 11 .469 29 .819 1, .00 0 .18

ISG 490

ATOM 490 O TRP 61 -16. .969 12. ,461 29, .137 1. 00 0. .18

ISG 491

ATOM 491 N LEU 62 -15, .633 10. ,693 29, .595 1. 00 0. ,38

ISG 492

ATOM 492 CA LEU 62 -14. .757 10. 876 28. .467 1. 00 0. 38

ISG 493

ATOM 493 CB LEU 62 -13. .263 10. 803 28. , 821 1. 00 0. 38

ISG 494

ATOM 494 CG LEU 62 -12. .803 11. 899 29. 790 1. 00 0. 38

ISG 495

ATOM 495 CD2 LEU 62 -11. 272 11. 936 29. 916 1. 00 0. 38

ISG 496

ATOM 496 CDl LEU 62 -13. 515 11. 750 31. 141 1. 00 0. 38

ISG 497

ATOM 497 C LEU 62 -15. 012 9. 679 27. 607 1. 00 0. 38

ISG 498

ATOM 498 O LEU 62 -14. 557 8. 581 27. 926 1. 00 0. 38

ISG 499

ATOM 499 N ASN 63 -15. 715 9. 858 26. 471 1. 00 0. 39

ISG 500

ATOM 500 CA ASN 63 -16. 089 8. 693 25. 722 1. 00 0. 39

ISG 501

ATOM 501 CB ASN 63 -17. 533 8. 766 25. 196 1. 00 0. 39

ISG 502

ATOM 502 CG ASN 63 -17. 639 9. 937 24. 229 1. 00 0. 39

ISG 503 302

ATOM 503 ODl ASN 63 •17. 398 11 .088 24 .591 1 .00 0 .39

ISG 504

ATOM 504 ND2 ASN 63 •18. 008 9 .635 22 .956 1 .00 0 .39

ISG 505

ATOM 505 C ASN 63 ^■15 . 196 8 .488 24 .536 1 .00 0 .39

ISG 506

ATOM 506 O ASN 63 ^■15. 398 7 .545 23 .772 1 .00 0 .39

ISG 507

ATOM 507 N GLY 64 ^■14 . 160 9 .325 24 .351 1 .00 0 .19

ISG 508

ATOM 508 CA GLY 64 13. 326 9 .132 23 .197 1 .00 0 .19

ISG 509

ATOM 509 C GLY 64 12. 256 8 .140 23 .536 1 .00 0 .19

ISG 510

ATOM 510 O GLY 64 12. 218 7 .600 24 .640 1 .00 0 .19

ISG 511

ATOM 511 N ASP 65 11. 350 7 .871 22 .569 1 .00 0 .28

ISG 512

ATOM 512 CA ASP 65 10. 257 6 .978 22 .830 1 .00 0 .28

ISG 513

ATOM 513 CB ASP 65 -9. 545 6 .468 21 .564 1 .00 0 .28

ISG 514

ATOM 514 CG ASP 65 10. 467 5 .503 20 .832 1 .00 0 .28

ISG 515

ATOM 515 ODl ASP 65 11. 551 5 .179 21 .385 1 .00 0 .28

ISG 516

ATOM 516 OD2 ASP 65 10. 093 5 .073 19 .708 1 .00 0 .28

ISG 517

ATOM 517 C ASP 65 -9. 266 7 .798 23 .585 1 .00 0 .28

ISG 518

ATOM 518 O ASP 65 -8. 491 8 .555 23 .002 1 .00 0 .28

ISG 519

ATOM 519 N PHE 66 -9. 269 7 .643 24 .920 1 .00 0 .59

ISG 520

ATOM 520 CA PHE 66 -8. 472 8 .455 25 .793 1 .00 0 .59

ISG 521

ATOM 521 CB PHE 66 -8. 725 8 .130 27 .274 1 .00 0 .59

ISG 522

ATOM 522 CG PHE 66 -8. 172 9 .250 28 .080 1 .00 0 .59

ISG 523

ATOM 523 CDl PHE 66 -6. 843 9 .277 28 .419 1 .00 0 .59

ISG 524

ATOM 524 CD2 PHE 66 -8, 984 30 .282 28 .484 1 .00 0 .59

ISG 525

ATOM 525 CEl PHE 66 -6. 325 10 .313 29 .159 1 .00 0 .59

ISG 526

ATOM 526 CE2 PHE 66 -8. 473 11 .320 29 .225 1 .00 0 .59

ISG 527

ATOM 527 CZ PHE 66 -7. 143 11 .338 29 .566 1 .00 0 .59

ISG 528

ATOM 528 C PHE 66 -7. 007 8 .258 25 .527 1 .00 0 .59

ISG 529

ATOM 529 O PHE 66 -6. 259 9 .226 25 .409 1 .00 0 .59

ISG 530

ATOM 530 N ARG 67 -6. 562 6 .996 25 .383 1 .00 0 .69

ISG 531 303

ATOM 531 CA ARG 67 - 5 .164 6 .710 25 .219 1. 00 0 .69

ISG 532

ATOM 532 CB ARG 67 -4 .861 .203 25 .120 1. 00 0 .69

ISG 533

ATOM 533 CG ARG 67 -3 .372 4 .887 24 .947 1. 00 0 .69

ISG 534

ATOM 534 CD ARG 67 -3 .063 3 .390 24 .852 1. 00 0 .69

ISG 535

ATOM 535 NE ARG 67 -1 .588 3 .246 24 .685 1. 00 0 .69

ISG 536

ATOM 536 CZ ARG 67 -0 .985 2 .037 24 .887 1. 00 0 .69

ISG 537

ATOM 537 NHl ARG 67 -1 .731 0 .947 25 .230 1. 00 0 .69

ISG 538

ATOM 538 NH2 ARG 67 0 .367 1 .915 24 .742 1. 00 0 .69

ISG 539

ATOM 539 C ARG 67 -4 .685 7 .358 23 .958 1. 00 0 .69

ISG 540 ⁱn

ATOM 540 O ARG 67 „ 2 .516 7 .724 23 .846 1. 00 0 .69

ISG 541

ATOM 541 N LYS 68 -5 .570 7 .474 22 .952 1. 00 0 .54

ISG 542

ATOM 542 CA LYS 68 -5 .173 8 .053 21 .701 1. 00 0 .54

ISG 543

ATOM 543 CB LYS 68 -6 .267 7 .948 20 .626 1. 00 0 .54

ISG 544

ATOM 544 CG LYS 68 -6 .621 6 .501 20 .283 1. 00 0 .54

ISG 545

ATOM 545 CD LYS 68 -5 .429 5 .675 19 .793 1. 00 0 .54

ISG 546

ATOM 546 CE LYS 68 -5 .082 5 .901 18 .320 1. 00 0 .54

ISG 547

ATOM 547 NZ LYS 68 -3 .921 5 .065 17 .939 1. 00 0 .54

ISG 548

ATOM 548 C LYS 68 -4 .834 9 .500 21 .886 1. 00 0 .54

ISG 549

ATOM 549 O LYS 68 -3 .852 9 .979 21 .328 1. 00 0 .54

ISG 550

ATOM 550 N GLY 69 -5 .665 10 .260 22 .623 1. 00 0 .28

ISG 551

ATOM 551 CA GLY 69 -5 .337 11 .631 22 .889 1. 00 0 .28

ISG 552

ATOM 552 C GLY 69 -6 .624 12 .397 22 .952 1. 00 0 .28

ISG 553

ATOM 553 O GLY 69 -6 .623 13 .623 23 .057 1. 00 0 .28

ISG 554

ATOM 554 N ASP 70 -7 .768 11 .685 22 .898 1. 00 0 .14

ISG 555

ATOM 555 CA ASP 70 -9 .045 12 .342 22 .907 1. 00 0 .14

ISG 556

ATOM 556 CB ASP 70 10 .082 11 .634 22 .015 1. 00 0 .14

ISG 557

ATOM 557 CG ASP 70 11 .325 12 .504 21 .901 1. 00 0 .14

ISG 558

ATOM 558 ODl ASP 70 11 .408 13 .527 22 .631 1. 00 0 .14

ISG 559 304

ATOM 559 OD2 ASP 70 -12 .213 12 .153 21 .077 1 .00 0 .14

ISG 560

ATOM 560 C ASP 70 -9 .565 12 .314 24 .310 1 .00 0 .14

ISG 561

ATOM 561 O ASP 70 -10 .099 11 .306 24 .769 1 .00 0 .14

ISG 562

ATOM 562 N VAL 71 -9 .446 13 .454 25 .015 1 .00 0 .22

ISG 563

ATOM 563 CA VAL 71 -9 .827 13 .568 26 .395 1 .00 0 .22

ISG 564

ATOM 564 CB VAL 71 -8 .764 14 .193 27 .246 1 .00 0 .22

ISG 565

ATOM 565 CGl VAL 71 -7 .532 13 .277 27 .236 1 .00 0 .22

ISG 566

ATOM 566 CG2 VAL 71 -8 .482 15 .608 26 .713 1 .00 0 .22

ISG 567

ATOM 567 C VAL 71 -11 .033 14 .450 26 .496 1 .00 0 .22

ISG 568

ATOM 568 O VAL 71 -11 .170 15 .194 27 .465 1 .00 0 .22

ISG 569

ATOM 569 N SER 72 -11 .902 14 .445 25 .466 1 .00 0 .30

ISG 570

ATOM 570 CA SER 72 -13 .049 15. .313 25 .459 1 .00 0 .30

ISG 571

ATOM 571 CB SER 72 -13 .760 15, .361 24 .099 1. .00 0 , .30

ISG 572

ATOM 572 OG SER 72 -14 .196 14. .062 23 .736 1 _c .00 0 , .30

ISG 573

ATOM 573 C SER 72 -14 .048 14. .932 26 .517 1. .00 0 , .30

ISG 574

ATOM 574 O SER 72 14 , ,358 13. 762 26. .739 1. 00 0. ,30

ISG 575

ATOM 575 N LEU 73 ^■14 . .605 15. 966 27. , 181 1. 00 0. 33

ISG 576

ATOM 576 CA LEU 73 ^■15. ,531 15. 805 28. ,265 1. 00 0. 33

ISG 577

ATOM 577 CB LEU 73 ^■15 . 393 16. 934 29. 303 1. 00 0. 33

ISG 578

ATOM 578 CG LEU 73 ^■16 . 428 16. 903 30. 439 1. 00 0. 33

ISG 579

ATOM 579 CD2 LEU 73 16. 432 18. 230 31. 219 1. 00 0. 33

ISG 580

ATOM 580 CDl LEU 73 ^■16. 231 15. 673 31. 335 1. 00 0. 33

ISG 581

ATOM 581 C LEU 73 16. 932 15. 856 27. 738 1. 00 0. 33

ISG 582

ATOM 582 O LEU 73 17. 278 16. 719 26. 934 1. 00 0. 33

ISG 583

ATOM 583 N THR 74 17. 782 14. 902 28. 172 1. 00 0. 36

ISG 584

ATOM 584 CA THR 74 19. 148 14. 940 27. 739 1. 00 0. 36

ISG 585

ATOM 585 CB THR 74 19. 567 13. 753 26. 918 1. 00 0. 36

ISG 586

ATOM 586 OGl THR 74 20. 794 14. 043 26. 276 1. 00 0. 36

ISG 587 305

ATOM 587 CG2 THR 74 -19 .745 12 .515 27 .806 1 .00 0. .36

ISG 588

ATOM 588 C THR 74 -20 .012 15 .006 28 .962 1 .00 0. ,36

ISG 589

ATOM 589 O THR 74 -19 .829 14 .252 29 .916 1 .00 0. ,36

ISG 590

ATOM 590 N ILE 75 -20 .981 15 .941 28 .973 1 .00 0. 31

ISG 591

ATOM 591 CA ILE 75 -21 .833 16 .059 30 .118 1 .00 0. 31

ISG 592

ATOM 592 CB ILE 75 -21 .974 17 .471 30 .597 1 .00 0. 31

ISG 593

ATOM 593 CG2 ILE 75 -22 .971 17 .482 31 .767 1 .00 0. 31

ISG 594

ATOM 594 CGl ILE 75 -20 .589 18 .027 30 .978 1 .00 0. 31

ISG 595

ATOM 595 CDl ILE 75 -20 .558 19 .543 31 .153 1 .00 0. 31

ISG 596

ATOM 596 C ILE 75 -23 .172 15 .536 29 .725 1 .00 0. 31

ISG 597

ATOM 597 O ILE 75 -23 .812 16 .072 28 .824 1 .00 0. 31

ISG 598

ATOM 598 N GLU 76 -23 .633 14 .466 30 .405 1 .00 0. 30

ISG 599

ATOM 599 CA GLU 76 -24 .877 13 .854 30 .040 1 .00 0. 30

ISG 600

ATOM 600 CB GLU 76 -25 .075 12 .447 30 .630 1 .00 0. 30

ISG 601

ATOM 601 CG GLU 76 -23 .990 11 .435 30 .237 1 .00 0. 30

ISG 602

ATOM 602 CD GLU 76 -23 .963 11 .248 28 .723 1 .00 0. 30

ISG 603

ATOM 603 OEl GLU 76 -25 .041 11 .343 28 .078 1 .00 0. 30

ISG 604

ATOM 604 OE2 GLU 76 -22 .847 11 .003 28 .192 1 .00 0. 30

ISG 605

ATOM 605 C GLU 76 -26 .001 14 .711 30 .538 1 .00 0. 30

ISG 606

ATOM 606 O GLU 76 -25 .880 15 .361 31 .576 1 .00 0. 30

ISG 607

ATOM 607 N ASN 77 -27 .115 14 .733 29 .768 1 .00 0. 23

ISG 608

ATOM 608 CA ASN 77 -28 .342 15 .419 30 .082 1 .00 0. 23

ISG 609

ATOM 609 CB ASN 77 •29 .257 14 .603 31 .009 1 .00 0. 23

ISG 610

ATOM 610 CG ASN 77 ^■29 .643 13 .349 30 .236 1 .00 0. 23

ISG 611

ATOM 611 ODl ASN 77 ^■29 .462 13 .279 29 .021 1 .00 0. 23

ISG 612

ATOM 612 ND2 ASN 77 ^■30 .192 12 .332 30 .952 1 .00 0. 23

ISG 613

ATOM 613 C ASN 77 28 .045 16 .748 30 .699 1 .00 0. 23

ISG 614

ATOM 614 O ASN 77 28 .267 16 .956 31 .891 1 .00 0. 23

ISG 615 306

ATOM 615 N VAL 78 -27 .519 17 .681 29. 888 1 .00 0 .27

ISG 616

ATOM 616 CA VAL 78 -27 .094 18 .943 30. 415 1 .00 0 .27

ISG 617

ATOM 617 CB VAL 78 -26 .171 19 .678 29. 475 1 .00 0 .27

ISG 618

ATOM 618 CGl VAL 78 -25 .739 21 .020 30. 093 1 .00 0 .27

ISG 619

ATOM 619 CG2 VAL 78 -25 .000 18 .740 29. 138 1 .00 0 .27

ISG 620

ATOM 620 C VAL 78 -28 .293 19 .780 30. 738 1 .00 0 .27

ISG 621

ATOM 621 O VAL 78 -29 .403 19 .528 30. 264 1 .00 0 .27

ISG 622

ATOM 622 N THR 79 -28 .086 20 .773 31. 626 1 .00 0 .55

ISG 623

ATOM 623 CA THR 79 -29 .102 21 .698 32. 025 1 .00 0 .55

ISG 624

ATOM 624 CB THR 79 -29 .667 21 .429 33. 388 1 .00 0 .55

ISG 625

ATOM 625 OGl THR 79 -30 .820 22 .227 33. 609 1 .00 0 .55

ISG 626

ATOM 626 CG2 THR 79 -28 .595 21 .754 34. 441 1 .00 0 .55

ISG 627

ATOM 627 C THR 79 -28 .454 23 .040 32. 070 1 .00 0 .55

ISG 628

ATOM 628 O THR 79 -27 .233 23 .156 31. 986 1 .00 0 .55

ISG 629

ATOM 629 N LEU 80 -29 .270 24 .089 32. 256 1 .00 0 .58

ISG 630

ATOM 630 CA LEU 80 -28 .818 25 .446 32. 204 1 .00 0 .58

ISG 631

ATOM 631 CB LEU 80 -29 .963 26 .430 32. 531 1 .00 0 .58

ISG 632

ATOM 632 CG LEU 80 -29 .606 27 .934 32. 507 1 .00 0 .58

ISG 633

ATOM 633 CD2 LEU 80 -29 .033 28 .347 31. 142 1 .00 0 .58

ISG 634

ATOM 634 CDl LEU 80 -28 .706 28 .348 33. 682 1 .00 0 .58

ISG 635

ATOM 635 C LEU 80 ^■27 .716 25 .623 33. 204 1 .00 0 .58

ISG 636

ATOM 636 O LEU 80 •26 .757 26 .349 32. 951 1 .00 0 .58

ISG 637

ATOM 637 N ALA 81 ^■27 .834 24 .978 34. 377 1 .00 0 .28

ISG 638

ATOM 638 CA ALA 81 ^■26 .862 25 .139 35. 420 1 .00 0 .28

ISG 639

ATOM 639 CB ALA 81 •27 .272 24 .423 36. 719 1 .00 0 .28

ISG 640

ATOM 640 C ALA 81 ^■25 .520 24 .597 35. 026 1 .00 0 .28

ISG 641

ATOM 641 O ALA 81 24 .600 24 .612 35. 843 1 .00 0 .28

ISG 642

ATOM 642 N ASP 82 25 .329 24 .126 33. 777 1 .00 0 .10

ISG 643 307

ATOM 643 CA ASP 82 -24 .029 23 .596 33 .467 1 .00 0 .10

ISG 644

ATOM 644 CB ASP 82 -24 .088 22 .333 32 .585 1 .00 0 .10

ISG 645

ATOM 645 CG ASP 82 -24 .644 21 .180 33 .416 1 .00 0 .10

ISG 646

ATOM 646 ODl ASP 82 -24 .640 21 .283 34 .671 1 .00 0 .10

ISG 647

ATOM 647 0D2 ASP 82 -25 .080 20 .170 32 .800 1 .00 0 .10

ISG 648

ATOM 648 C ASP 82 -23 .272 24 .638 32 .709 1 .00 0 .10

ISG 649

ATOM 649 O ASP 82 -22 .093 24 .465 32 .401 1 .00 0 .10

ISG 650

ATOM 650 N SER 83 -23 .918 25 .789 32 .447 1 .00 0 .08

ISG 651

ATOM 651 CA SER 83 -23 .257 26 .820 31 .707 1 .00 0 .08

ISG 652

ATOM 652 CB SER 83 -24 .181 27 .988 31 .316 1 .00 0 .08

ISG 653

ATOM 653 OG SER 83 -25 .214 27 .528 30 .456 1 .00 0 .08

ISG 654

ATOM 654 C SER 83 -22 .177 27 .358 32 .581 1 .00 0 .08

ISG 655

ATOM 655 O SER 83 -22 .303 27 .370 33 .805 1. , 00 0 .08

ISG 656

ATOM 656 N GLY 84 -21 .063 27. .797 31 .967 1, .00 0 .17

ISG 657

ATOM 657 CA GLY 84 -19 .996 28. .327 32 .757 1. , 00 0. .17

ISG 658

ATOM 658 C GLY 84 -18 .714 28. .075 32 .035 1. 00 0. .17

ISG 659

ATOM 659 O GLY 84 -18 .698 27. .719 30 .858 1. 00 0 , .17

ISG 660

ATOM 660 N ILE 85 -17 .589 28. 251 32 .752 1. 00 0. 28

ISG 661

ATOM 661 CA ILE 85 -16 .297 28. 084 32 .162 1. 00 0. 28

ISG 662

ATOM 662 CB ILE 85 -15 .313 29. 113 32 .627 1. 00 0. 28

ISG 663

ATOM 663 CG2 ILE 85 ^■13 .950 28. 715 32 .055 1. 00 0. 28

ISG 664

ATOM 664 CGl ILE 85 ^■15 .766 30. 526 32 .229 1. 00 0. 28

ISG 665

ATOM 665 CDl ILE 85 ^•15 .872 30. 714 30 .717 1. 00 0. 28

ISG 666

ATOM 666 C ILE 85 15 .762 26. 749 32 .578 1. 00 0. 28

ISG 667

ATOM 667 O ILE 85 ^■15 .987 26. 301 33 .701 1. 00 0. 28

ISG 668

ATOM 668 N TYR 86 15 .048 26. 068 31 .658 1. 00 0. 21

ISG 669

ATOM 669 CA TYR 86 14 .479 24. 781 31 .948 1. 00 0. 21

ISG 670

ATOM 670 CB TYR 86 15 .056 23. 633 31 .101 1. 00 0. 21

ISG 671 308

ATOM 671 CG TYR 86 ^•16 .443 23 .335 31. 542 1. .00 0 .21

ISG 672

ATOM 672 CDl TYR 86 ^■17 .499 24 .123 31. 148 1. .00 0 .21

ISG 673

ATOM 673 CD2 TYR 86 16 .681 22 .243 32. 344 1. ,00 0 .21

ISG 674

ATOM 674 CEl TYR 86 18 .776 23 .827 31. 561 1. 00 0 .21

ISG 675

ATOM 675 CE2 TYR 86 17 .954 21 .941 32. 760 1. 00 0 .21

ISG 676

ATOM 676 CZ TYR 86 19 .003 22 .737 32. 368 1. 00 0 .21

ISG 677

ATOM 677 OH TYR 86 20 .315 22 .435 32. 790 1. 00 0 .21

ISG 678

ATOM 678 C TYR 86 13 .025 24 .804 31. 609 1. 00 0 .21

ISG 679

ATOM 679 O TYR 86 12 .590 25 .522 30. 711 1. 00 0 .21

ISG 680

ATOM 680 N CYS 87 12 .233 23 .989 32. 334 1. 00 0 .14

ISG 681

ATOM 681 CA CYS 87 10 .821 23 .931 32. 096 1. 00 0 .14

ISG 682

ATOM 682 CB CYS 87 -9 .991 24 .333 33. 327 1. 00 0 .14

ISG 683

ATOM 683 SG CYS 87 -8 .206 24 .163 33. 047 1. 00 0 .14

ISG 684

ATOM 684 C CYS 87 10 .432 22 .517 31. 781 1. 00 0 .14

ISG 685

ATOM 685 O CYS 87 10 .805 21 .584 32. 491 1. 00 0 .14

ISG 686

ATOM 686 N CYS 88 -9 .666 22 .333 30. 682 1. 00 0 .28

ISG 687

ATOM 687 CA CYS 88 -9 .127 21 .051 30. 320 1. 00 0 .28

ISG 688

ATOM 688 CB CYS 88 -9 .513 20 .609 28. 885 1. 00 0 .28

ISG 689

ATOM 689 SG CYS 88 -8 .857 18 .983 28. 381 1. 00 0 .28

ISG 690

ATOM 690 C CYS 88 -7 .641 21 .257 30. 330 1. 00 0 .28

ISG 691

ATOM 691 O CYS 88 -7 .126 22 .038 29. 531 1. 00 0 .28

ISG 692

ATOM 692 N ARG 89 -6 .899 20 .585 31. 239 1. 00 0 .58

ISG 693

ATOM 693 CA ARG 89 -5 .481 20 .828 31. 234 1. 00 0 .58

ISG 694

ATOM 694 CB ARG 89 -4 .904 21 .438 32. 526 1. 00 0 .58

ISG 695

ATOM 695 CG ARG 89 -4 .920 20 .520 33. 746 1. 00 0 .58

ISG 696

ATOM 696 CD ARG 89 -4 .353 21 .191 35. 000 1. 00 0 .58

ISG 697

ATOM 697 NE ARG 89 -2 .958 21 .614 34. 693 1. 00 0 .58

ISG 698

ATOM 698 CZ ARG 89 -2 .499 22 .835 35. 104 1. 00 0 .58

ISG 699 309

ATOM 699 NHl ARG 89 -3 .313 23 .679 35 .798 1 .00 0 .58

ISG 700

ATOM 700 NH2 ARG 89 -1 .220 23 .217 34 .813 1 .00 0 .58

ISG 701

ATOM 701 C ARG 89 -4 .769 19 .526 31 .037 1 .00 0 .58

ISG 702

ATOM 702 O ARG 89 -5 .092 18 .521 31 .672 1 .00 0 .58

ISG 703

ATOM 703 N ILE 90 -3 .767 19 .517 30 .133 1 .00 0 .70

ISG 704

ATOM 704 CA ILE 90 _ 3 .033 18 .308 29 .901 1 .00 0 .70

ISG 705

ATOM 705 CB ILE 90 -3 .211 17 .761 28 .503 1 .00 0 .70

ISG 706

ATOM 706 CG2 ILE 90 -4 .688 17 .350 28 .371 1 .00 0 .70

ISG 707

ATOM 707 CGl ILE 90 -2 .768 18 .739 27 .405 1 .00 0 .70

ISG 708

ATOM 708 CDl ILE 90 -1 .267 18 .777 27 .171 1 .00 0 .70

ISG 709

ATOM 709 C ILE 90 ~ 1 .598 18 .498 30 .294 1 .00 0 .70

ISG 710

ATOM 710 O ILE 90 -0 .890 19 .378 29 .808 1 .00 0 .70

ISG 711

ATOM 711 N GLN 91 -1 .129 17 .636 31 .218 1 .00 0 .49

ISG 712

ATOM 712 CA GLN 91 0 .183 17 .803 31. .777 1 .00 0 .49

ISG 713

ATOM 713 CB GLN 91 0 .322 17, .164 33. , 172 1 .00 0 .49

ISG 714

ATOM 714 CG GLN 91 -0 , .545 17. .829 34. .247 1, .00 0 .49

ISG 715

ATOM 715 CD GLN 91 -1. .994 17. .419 34. 026 1 , .00 0, .49

ISG 716

ATOM 716 OEl GLN 91 -2. .723 18. 045 33. 258 1. ,00 0 , .49

ISG 717

ATOM 717 NE2 GLN 91 -2. 428 16. 334 34. 721 1. 00 0. ,49

ISG 718

ATOM 718 C GLN 91 1. 214 17. 178 30. 892 1. 00 0. 49

ISG 719

ATOM 719 O GLN 91 1. 631 16. 043 31. 113 1. 00 0. 49

ISG 720

ATOM 720 N ILE 92 1. 681 17. 942 29. 884 1. 00 0. 27

ISG 721

ATOM 721 CA ILE 92 2. 707 17. 496 28. 986 1. 00 0. 27

ISG 722

ATOM 722 CB ILE 92 2. 760 18. 286 27. 710 1. 00 0. 27

ISG 723

ATOM 723 CG2 ILE 92 1. 531 17. 940 26. 862 1. 00 0. 27

ISG 724

ATOM 724 CGl ILE 92 2. 948 19. 782 28. 023 1. 00 0. 27

ISG 725

ATOM 725 CDl ILE 92 3. 241 20. 639 26. 792 1. 00 0. 27

ISG 726

ATOM 726 C ILE 92 4. 037 17. 638 29. 658 1. 00 0. 27

ISG 727 310

ATOM 727 O ILE 92 4 .162 18 .186 30 .754 1 .00 0.27

ISG 728

ATOM 728 N PRO 93 5 .046 17 .149 28 .984 1 .00 0.19

ISG 729

ATOM 729 CA PRO 93 6 .373 17 .193 29 .528 1 .00 0.19

ISG 730

ATOM 730 CD PRO 93 4 .875 16 .047 28 .052 1 .00 0.19

ISG 731

ATOM 731 CB PRO 93 7 .234 16 .365 28 .578 1 .00 0.19

ISG 732

ATOM 732 CG PRO 93 6 .240 15 .335 28 .006 1 .00 0.19

ISG 733

ATOM 733 C PRO 93 6 .803 18 .611 29 .696 1 .00 0.19

ISG 734

ATOM 734 O PRO 93 6 .354 19 .468 28 .936 1 .00 0.19

ISG 735

ATOM 735 N GLY 94 7 .680 18 .881 30 .679 1 .00 0.28

ISG 736

ATOM 736 CA GLY 94 8 .084 20 .230 30 .940 1 .00 0.28

ISG 737

ATOM 737 C GLY 94 7 .670 20 .556 32 .341 1. .00 0.28

ISG 738

ATOM 738 O GLY 94 6 .748 19 .956 32 .891 1. .00 0.28

ISG 739

ATOM 739 N ILE 95 8 .340 21 .556 32 .943 1 .00 0.65

ISG 740

ATOM 740 CA ILE 95 8 .119 21 .897 34 .317 1. .00 0.65

ISG 741

ATOM 741 CB ILE 95 9 .105 22 .919 34 .846 1. .00 0.65

ISG 742

ATOM 742 CG2 ILE 95 10 .490 22 .253 34 .831 1. 00 0.65

ISG 743

ATOM 743 CGl ILE 95 9 .071 24 .256 34 .081 1. 00 0.65

ISG 744

ATOM 744 CDl ILE 95 9 .434 24 .137 32 .601 1. 00 0.65

ISG 745

ATOM 745 C ILE 95 6 .701 22 .343 34 .519 1. 00 0.65

ISG 746

ATOM 746 O ILE 95 .897 21 .601 35 .077 1. 00 0.65

ISG 747

ATOM 747 N MET 96 6 .350 23 .571 34 .110 1. 00 0.86

ISG 748

ATOM 748 CA MET 96 5 .012 24 .060 34 .254 1. 00 0.86

ISG 749

ATOM 749 CB MET 96 4 .915 25 .236 35 .246 1. 00 0.86

ISG 750

ATOM 750 CG MET 96 6 .138 26 .164 35 .266 1. 00 0.86

ISG 751

ATOM 751 SD MET 96 6 .369 27 .255 33 .830 1. 00 0.86

ISG 752

ATOM 752 CE MET 96 4 .976 28 .348 34 .232 1. 00 0.86

ISG 753

ATOM 753 C MET 96 4 .586 24 .496 32 .893 1. 00 0.86

ISG 754

ATOM 754 O MET 96 4 .302 25 .669 32 .653 1. 00 0.86

ISG 755 311

ATOM 755 N ASN 97 4 .547 23 .520 31 .964 1 .00 0 .59

ISG 756

ATOM 756 CA ASN 97 4 .260 23 .754 30 .576 1 .00 0 .59

ISG 757

ATOM 757 CB ASN 97 5 .299 23 .132 29 .627 1 .00 0 .59

ISG 758

ATOM 758 CG ASN 97 6 .591 23 .930 29 .710 1 .00 0 .59

ISG 759

ATOM 759 ODl ASN 97 5 .401 24 .209 29 .582 1 .00 0 .59

ISG 760

ATOM 760 ND2 ASN 97 7 .357 22 .813 29 .833 1 .00 0 .59

ISG 761

ATOM 761 C ASN 97 2 .940 23 .149 30 .189 1 .00 0 .59

ISG 762

ATOM 762 O ASN 97 2 .762 22 .789 29 .026 1 .00 0 .59

ISG 763

ATOM 763 N ASP 98 1 .988 22 .995 31 .130 1 .00 0 .25

ISG 764

ATOM 764 CA ASP 98 0 .747 22 .322 30 .830 1 .00 0 .25

ISG 765

ATOM 765 CB ASP 98 0 .192 22 .181 32 .041 1 .00 0 .25

ISG 766

ATOM 766 CG ASP 98 0 .428 21 .176 33 .000 1 .00 0 .25

ISG 767

ATOM 767 ODl ASP 98 1 .582 20 .742 32 .736 1 .00 0 .25

ISG 768

ATOM 768 OD2 ASP 98 0 .245 20 .824 34 .004 1 .00 0 .25

ISG 769

ATOM 769 C ASP 98 0 .034 23 .002 29 .740 1 .00 0 .25

ISG 770

ATOM 770 O ASP 98 0 .073 24 .226 29 .632 1 .00 0 .25

ISG 771

ATOM 771 N GLU 99 0 .700 22 .173 28 .899 1 .00 0 .34

ISG 772

ATOM 772 CA GLU 99 1 .517 22 .652 27 .819 1 .00 0 .34

ISG 773

ATOM 773 CB GLU 99 1 .621 21 .651 26 .655 1 .00 0 .34

ISG 774

ATOM 774 CG GLU 99 2 .473 22 .109 25 .471 1 .00 0 .34

ISG 775

ATOM 775 CD GLU 99 2 .447 20 .984 24 .444 1 .00 0 .34

ISG 776

ATOM 776 OEl GLU 99 1 .363 20 .756 23 .840 1 .00 0 .34

ISG 777

ATOM 777 OE2 GLU 99 3 .507 20 .331 24 .258 1 .00 0 .34

ISG 778

ATOM 778 C GLU 99 2 .880 22 .850 28 .399 1 .00 0 .34

ISG 779

ATOM 779 O GLU 99 3 .531 21 .901 28 .838 1 .00 0 .34

ISG 780

ATOM 780 N LYS 100 3 .343 24 .116 28 .408 1 .00 0 .63

ISG 781

ATOM 781 CA LYS 100 4 .577 24 .446 29 .054 1 .00 0 .63

ISG 782

ATOM 782 CB LYS 100 4 .400 25 .585 30 .072 1 .00 0. .63

ISG 783 312

ATOM 783 CG LYS 100 -3 .401 25 .280 31 .192 1 .00 0 .63

ISG 784

ATOM 784 CD LYS 100 -3 .876 24 .235 32 .198 1 .00 0 .63

ISG 785

ATOM 785 CE LYS 100 -4 .848 24 .810 33 .226 1 .00 0 .63

ISG 786

ATOM 786 NZ LYS 100 -4 .206 25 .934 33 .945 1 .00 0 .63

ISG 787

ATOM 787 C LYS 100 - 5 .547 24 .949 28 .031 1 .00 0 .63

ISG 788

ATOM 788 O LYS 100 -5 .171 25 .640 27 .086 1 .00 0 .63

ISG 789

ATOM 789 N PHE 101 -6 .835 24 .583 28 .195 1 .00 0 .58

ISG 790

ATOM 790 CA PHE 101 -7 .864 25 .074 27 .323 1 .00 0 .58

ISG 791

ATOM 791 CB PHE 101 .376 24 .034 26 .309 1 .00 0 .58

ISG 792

ATOM 792 CG PHE 101 -7 .285 23 .749 25 .333 1 .00 0 .58

ISG 793

ATOM 793 CDl PHE 101 -7 .082 24 .573 24 .250 1 .00 0 .58

ISG 794

ATOM 794 CD2 PHE 101 -6 .471 22 .651 25 .494 1 .00 0 .58

ISG 795

ATOM 795 CEl PHE 101 -6 .078 24 .312 23 .347 1 .00 0. .58

ISG 796

ATOM 796 CE2 PHE 101 -5, .465 22 .385 24 .594 1, .00 0 , .58

ISG 797

ATOM 797 CZ PHE 101 .268 23 .215 23 .517 1 .00 0. .58

ISG 798

ATOM 798 C PHE 101 -9. .023 25. .449 28 .193 1 , , 00 0. 58

ISG 799

ATOM 799 O PHE 101 -9. .527 24. .630 28 .960 1. .00 0. 58

ISG 800

ATOM 800 N ASN 102 -9. 484 26. ,709 28 .082 1. 00 0. 43

ISG 801

ATOM 801 CA ASN 102 10. 572 27. ,179 28 .891 1. 00 0. 43

ISG 802

ATOM 802 CB ASN 102 10. 294 28. ,579 29 .464 1. 00 0. 43

ISG 803

ATOM 803 CG ASN 102 11. 208 28. 808 30 .653 1. 00 0. 43

ISG 804

ATOM 804 ODl ASN 102 11. 400 27. 907 31 .467 1. 00 0. 43

ISG 805

ATOM 805 ND2 ASN 102 11. 773 30. 041 30 .759 1. 00 0. 43

ISG 806

ATOM 806 C ASN 102 11. 764 27. 274 27 .990 1. 00 0. 43

ISG 807

ATOM 807 O ASN 102 11. 667 27. 794 26 .880 1. 00 0. 43

ISG 808

ATOM 808 N LEU 103 12. 932 26. 773 28 .440 1. 00 0. 51

ISG 809

ATOM 809 CA LEU 103 14. 074 26. 775 27 .572 1. 00 0. 51

ISG 810

ATOM 810 CB LEU 103 14. 618 25. 366 27 .279 1. 00 0. 51

ISG 811 313

ATOM 811 CG LEU 103 -13 .568 24 .426 26 .650 1. 00 0 .51

ISG 812

ATOM 812 CD2 LEU 103 -12 .426 24 .115 27 .631 1. 00 0 .51

ISG 813

ATOM 813 CDl LEU 103 -13 .072 24 .963 25 .300 1. 00 0 .51

ISG 814

ATOM 814 C LEU 103 -15 .175 27 .565 28 .202 1. 00 0 .51

ISG 815

ATOM 815 O LEU 103 -15 .230 27 .726 29 .421 1. 00 0 .51

ISG 816

ATOM 816 N LYS 104 -16 .057 28 .127 27 .348 1. 00 0 .50

ISG 817

ATOM 817 CA LYS 104 -17 .207 28 .843 27 .814 1. 00 0 .50

ISG 818

ATOM 818 CB LYS 104 -17 .279 30 .296 27 .301 1. 00 0 .50

ISG 819

ATOM 819 CG LYS 104 -18 .397 31 .137 27 .930 1. 00 0 .50

ISG 820

ATOM 820 CD LYS 104 -19 .814 30 .662 27 .598 1. 00 0 .50

ISG 821

ATOM 821 CE LYS 104 -20 .912 31 .476 28 .285 1. 00 0 .50

ISG 822

ATOM 822 NZ LYS 104 -20 .969 32 .839 27, .711 1. 00 0 .50

ISG 823

ATOM 823 C LYS 104 -18 .388 28 .105 27 , .273 1. 00 0 .50

ISG 824

ATOM 824 O LYS 104 -18 .725 28 .220 26. .095 1. 00 0 .50

ISG 825

ATOM 825 N LEU 105 -19 .063 27 .332 28. , 141 1. 00 0 .38

ISG 826

ATOM 826 CA LEU 105 -20 .175 26 .549 27. ,694 1. 00 0 .38

ISG 827

ATOM 827 CB LEU 105 -20 .208 25 .139 28. 307 1. 00 0 .38

ISG 828

ATOM 828 CG LEU 105 -21 .404 24 .290 27. 836 1. 00 0 .38

ISG 829

ATOM 829 CD2 LEU 105 -21 .519 22 .993 28. 652 1. 00 0 .38

ISG 830

ATOM 830 CDl LEU 105 -21 .363 24 .043 26. 319 1. 00 0 .38

ISG 831

ATOM 831 C LEU 105 -21 .440 27 .238 28. 089 1. 00 0 .38

ISG 832

ATOM 832 O LEU 105 -21 .591 27 .696 29. 221 1. 00 0 .38

ISG 833

ATOM 833 N VAL 106 •22 .381 27 .352 27. 131 1. 00 0 .42

ISG 834

ATOM 834 CA VAL 106 ^■23 .641 27 .955 27. 439 1. 00 0 .42

ISG 835

ATOM 835 CB VAL 106 •23 .861 29 .272 26. 739 1. 00 0 .42

ISG 836

ATOM 836 CGl VAL 106 ^•23 .820 29 .059 25. 216 1. 00 0 .42

ISG 837

ATOM 837 CG2 VAL 106 25 .179 29 .877 27. 248 1. 00 0 .42

ISG 838

ATOM 838 C VAL 106 24 .715 27 .000 27. 023 1. 00 0 .42

ISG 839 314

ATOM 839 O VAL 106 -24. 788 26 .581 25 .870 1. 00 0. 42

ISG 840

ATOM 840 N ILE 107 -25. 583 26 .607 27 .974 1. 00 0. 55

ISG 841

ATOM 841 CA ILE 107 -26. 639 25 .715 27 .598 1. 00 0. 55

ISG 842

ATOM 842 CB ILE 107 -26. 668 24 .428 28 .349 1. 00 0. 55

ISG 843

ATOM 843 CG2 ILE 107 -26. 778 24 .772 29 .839 1. 00 0. 55

ISG 844

ATOM 844 CGl ILE 107 -27. 802 23 .547 27 .792 1. 00 0. 55

ISG 845

ATOM 845 CDl ILE 107 -27. 766 22 .092 28 .245 1. 00 0. 55

ISG 846

ATOM 846 C ILE 107 -27. 942 26 .397 27 .840 1. 00 0. 55

ISG 847

ATOM 847 O ILE 107 -28. 204 26 .924 28 .920 1. 00 0. 55

ISG 848

ATOM 848 N LYS 108 -28. 807 26 .394 26 .810 1. 00 0. 50

ISG 849

ATOM 849 CA LYS 108 -30. 076 27 .040 26 .928 1. 00 0. 50

ISG 850

ATOM 850 CB LYS 108 -30. 204 28 .285 26 .033 1. 00 0. 50

ISG 851

ATOM 851 CG LYS 108 -29. 226 29 .402 26 .409 1. 00 0. 50

ISG 852

ATOM 852 CD LYS 108 -29. 451 29 .974 27 .811 1. 00 0. 50

ISG 853

ATOM 853 CE LYS 108 -30. 608 30 .973 27 .888 1. 00 0. 50

ISG 854

ATOM 854 NZ LYS 108 -30. 764 31 .469 29 .275 1. 00 0. 50

ISG 855

ATOM 855 C LYS 108 -31. 116 26 .059 26 .499 1. 00 0. 50

ISG 856

ATOM 856 O LYS 108 -30. 817 24 .986 25 .980 1. 00 0. 50

ISG 857

ATOM 857 N PRO 109 -32. 348 26 .409 26 .732 1. 00 0. 26

ISG 858

ATOM 858 CA PRO 109 -33. 413 25 .527 26 .354 1. 00 0. 26

ISG 859

ATOM 859 CD PRO 109 -32. 687 27 .203 27 .902 1. 00 0. 26

ISG 860

ATOM 860 CB PRO 109 -34. 660 26 .061 27 .053 1. 00 0. 26

ISG 861

ATOM 861 CG PRO 109 -34. 097 26 .747 28 .311 1. 00 0. 26

ISG 862

ATOM 862 C PRO 109 -33. 507 25 .473 24 .868 1. 00 0. 26

ISG 863

ATOM 863 O PRO 109 -33. 152 26 .450 24 .211 1. 00 0. 26

ISG 864

ATOM 864 N ALA 110 -33. 966 24 .334 24 .318 1. 00 0. 08

ISG 865

ATOM 865 CA ALA 110 -34. 057 24 .208 22 .896 1. 00 0. 08

ISG 866

ATOM 866 CB ALA 110 -34. 529 22 .819 22 .436 1. 00 0. 08

ISG 867 315

ATOM 867 C ALA 110 -35.083 25.221 22.414 1.00 0.08

ISG 868

ATOM 868 O ALA 110 -36.270 25.095 22.816 1.00 0.08

ISG 869

ATOM 869 OXT ALA 110 -34.696 26.133 21.635 1.00 0.08

ISG 870

END

316

TIM 4

REMARK Produced by MODELLER: 25-May-06 14:03:05

1

REMARK MODELLER OBJECTIVE FUNCTION: 725.5577

ATOM 1 N GLU 1 -13.069 25.518 17.838 1.00 0.65

ISG 2

ATOM 2 CA GLU 1 -13.908 24.704 18.743 1.00 0.65

ISG 3

ATOM 3 CB GLU 1 -14.899 25.605 19.505 1.00 0.65

ISG 4

ATOM 4 CG GLU 1 -15.707 26.556 18.613 1.00 0.65

ISG 5

ATOM 5 CD GLU 1 -16.931 25.849 18.042 1.00 0.65

ISG 6

ATOM 6 OEl GLU 1 -17.174 24.666 18.404 1.00 0.65

ISG 7

ATOM 7 OE2 GLU 1 -17.651 26.497 17.237 1.00 0.65

ISG 8

ATOM 8 C GLU 1 -14.661 23.650 18.008 1.00 0.65

ISG 9

ATOM 9 O GLU 1 -14.841 23.726 16.793 1.00 0.65

ISG 10

ATOM 10 N THR 2 -15.098 22.609 18.740 1.00 0.51

ISG 11

ATOM 11 CA THR 2 -15.885 21.585 18.126 1.00 0.51

ISG 12

ATOM 12 CB THR 2 -15.496 20.190 18.519 1.00 0.51

ISG 13

ATOM 13 OGl THR 2 -15.656 20.009 19.918 1.00 0.51

ISG 14

ATOM 14 CG2 THR 2 -14.034 19.950 18.106 1.00 0.51

ISG 15

ATOM 15 C THR 2 -17.278 21.820 18.597 1.00 0.51

ISG 16

ATOM 16 O THR 2 -17.522 21.949 19.795 1.00 0.51

ISG 17

ATOM 17 N VAL 3 -18.233 21.887 17.653 1.00 0.35

ISG 18

ATOM 18 CA VAL 3 -19.583 22.203 18.011 1.00 0.35

ISG 19

ATOM 19 CB VAL 3 -20.250 23.095 17.004 1.00 0.35

ISG 20

ATOM 20 CGl VAL 3 -21.694 23.363 17.457 1.00 0.35

ISG 21

ATOM 21 CG2 VAL 3 -19.395 24.359 16.819 1.00 0.35

ISG 22

ATOM 22 C VAL 3 -20.382 20.943 18.043 1.00 0.35

ISG 23

ATOM 23 O VAL 3 -20.323 20.133 17.119 1.00 0.35

ISG 24

ATOM 24 N VAL 4 -21.142 20.740 19.138 1.00 0.46

ISG 25

ATOM 25 CA VAL 4 -22.005 19.598 19.236 1.00 0.46

ISG 26

ATOM 26 CB VAL 4 -21.622 18.608 20.295 1.00 0.46

ISG 27 317

ATOM 27 CGl VAL 4 -20 .378 17 .842 19 .839 1 .00 0 .46

ISG 28

ATOM 28 CG2 VAL 4 -21 .400 19 .374 21 .607 1 .00 0 .46

ISG 29

ATOM 29 C VAL 4 -23 .379 20 .074 19 .577 1 .00 0 .46

ISG 30

ATOM 30 O VAL 4 -23 .559 20 .946 20 .427 1 .00 0 .46

ISG 31

ATOM 31 N THR 5 -24 .393 19 .499 18 .901 1 .00 0 .57

ISG 32

ATOM 32 CA THR 5 -25 .754 19 .852 19 .182 1 .00 0 .57

ISG 33

ATOM 33 CB THR 5 -26 .568 20 .172 17 .960 1 .00 0 .57

ISG 34

ATOM 34 OGl THR 5 -26 .629 19 .048 17 .095 1 .00 0 .57

ISG 35

ATOM 35 CG2 THR 5 -25 .923 21 .368 17 .238 1 .00 0 .57

ISG 36

ATOM 36 C THR 5 -26 .370 18 .673 19 .855 1 .00 0 .57

ISG 37

ATOM 37 O THR 5 -26 .123 17 .529 19 .478 1 .00 0 .57

ISG 38

ATOM 38 N GLU 6 -27 .191 18 .934 20 .889 1 .00 0 .41

ISG 39

ATOM 39 CA GLU 6 -27 .744 17 .863 21 .664 1 .00 0 .41

ISG 40

ATOM 40 CB GLU 6 -27 .013 17 .747 23 .002 1 .00 0 .41

ISG 41

ATOM 41 CG GLU 6 -26 .878 19 .035 23. .799 1 .00 0 .41

ISG 42

ATOM 42 CD GLU 6 -26 .290 18, .657 25 , , 148 1 .00 0 .41

ISG 43

ATOM 43 OEl GLU 6 -26 .250 17. .434 25. ,445 1 .00 0 .41

ISG 44

ATOM 44 OE2 GLU 6 -25 .883 19. .580 25. 903 1 .00 0 .41

ISG 45

ATOM 45 C GLU 6 -29 .204 18. .105 21. 914 1 .00 0 .41

ISG 46

ATOM 46 O GLU 6 -29 .670 19. 242 21. 892 1 .00 0 .41

ISG 47

ATOM 47 N VAL 7 •29 .965 17. 012 22. 150 1 .00 0 .30

ISG 48

ATOM 48 CA VAL 7 -31 .383 17. 080 22. 384 1 .00 0 .30

ISG 49

ATOM 49 CB VAL 7 ^■32 .158 16. 141 21. 504 1 .00 0 .30

ISG 50

ATOM 50 CGl VAL 7 ^•33 .623 16. 103 21. 971 1 .00 0 .30

ISG 51

ATOM 51 CG2 VAL 7 ^•31 .983 16. 585 20. 043 1 .00 0 .30

ISG 52

ATOM 52 C VAL 7 ^■31 .661 16. 666 23. 795 1 .00 0 .30

ISG 53

ATOM 53 O VAL 7 ^■31 .187 15. 629 24. 252 1 .00 0 .30

ISG 54

ATOM 54 N LEU 8 32 .480 17. 466 24. 509 1 .00 0 .32

ISG 55 318

ATOM 55 CA LEU 8 -32 .812 17 .203 25 .881 1 .00 0 .32

ISG 56

ATOM 56 CB LEU 8 -33 .805 18 .249 26 .440 1 .00 0 .32

ISG 57

ATOM 57 CG LEU 8 -34 .260 18 .073 27 .908 1 .00 0 .32

ISG 58

ATOM 58 CD2 LEU 8 -33 .063 18 .045 28 .869 1 .00 0 .32

ISG 59

ATOM 59 CDl LEU 8 -35 .207 16 .875 28 .089 1 .00 0 .32

ISG 60

ATOM 60 C LEU 8 -33 .446 15 .853 25 .970 1 .00 0 .32

ISG 61

ATOM 61 O LEU 8 -34 .266 15 .478 25 .134 1 .00 0 .32

ISG 62

ATOM 62 N GLY 9 -33 .053 15 .079 27 .002 1 .00 0 .22

ISG 63

ATOM 63 CA GLY 9 -33 .632 13 .793 27 .253 1 .00 0 .22

ISG 64

ATOM 64 C GLY 9 -32 .865 12 .717 26 .541 1 .00 0 .22

ISG 65

ATOM 65 O GLY 9 -33 .053 11 .538 26 .836 1 .00 0 .22

ISG 66

ATOM 66 N HIS 10 -31. .972 13 .075 25 .596 1 .00 0 .29

ISG 67

ATOM 67 CA HIS 10 -31 .274 12 .048 24 .863 1 .00 0 .29

ISG 68

ATOM 68 NDl HIS 10 -33 , .850 13 .058 23 , .231 1, .00 0 .29

ISG 69

ATOM 69 CG HIS 10 -32. ,916 12. .092 22 , , 929 1. .00 0 .29

ISG 70

ATOM 70 CB HIS 10 -31. .478 12 , .163 23. ,345 1, , 00 0 .29

ISG 71

ATOM 71 NE2 HIS 10 -34. 905 11. ,505 22. 040 1. ,00 0 .29

ISG 72

ATOM 72 CD2 HIS 10 -33. 577 11. 151 22. 201 1. 00 0 .29

ISG 73

ATOM 73 CEl HIS 10 -35. 021 12. 657 22. 676 1. 00 0 .29

ISG 74

ATOM 74 C HIS 10 -29. 804 12. 224 25. 072 1. 00 0 .29

ISG 75

ATOM 75 O HIS 10 •29. 320 13. 335 24. 930 1. 00 0 .29

ISG 76

ATOM 76 N ARG 11 ^•29. 064 11. 127 25. 365 1. 00 0 .58

ISG 77

ATOM 77 CA ARG 11 ^•27. 639 11. 058 25. 646 1. 00 0 .58

ISG 78

ATOM 78 CB ARG 11 ^■26. 956 9. 817 25. 029 1. 00 0 .58

ISG 79

ATOM 79 CG ARG 11 ^■27. 083 9. 688 23. 507 1. 00 0 .58

ISG 80

ATOM 80 CD ARG 11 26. 305 8. 497 22. 939 1. 00 0 .58

ISG 81

ATOM 81 NE ARG 11 26. 549 8. 448 21. 470 1. 00 0 .58

ISG 82

ATOM 82 CZ ARG 11 25. 852 7. 566 20. 696 1. 00 0 .58

ISG 83 319

ATOM 83 NHl ARG 11 -24 .907 6 .760 21 .264 1 .00 0 .58

ISG 84

ATOM 84 NH2 ARG 11 -26 .101 7 .488 19 .356 1 .00 0 .58

ISG 85

ATOM 85 C ARG 11 -26 .867 12 .293 25 .254 1 .00 0 .58

ISG 86

ATOM 86 O ARG 11 -26 .966 13 .320 25 .900 1 .00 0 .58

ISG 87

ATOM 87 N VAL 12 -26 .071 12 .234 24 .184 1 .00 0 .58

ISG 88

ATOM 88 CA VAL 12 -25 .283 13 .277 23 .572 1 .00 0 .58

ISG 89

ATOM 89 CB VAL 12 -25 .543 14 .702 23 .935 1 .00 0 .58

ISG 90

ATOM 90 CGl VAL 12 -27 .040 14 .944 23 .738 1 .00 0 .58

ISG 91

ATOM 91 CG2 VAL 12 -24 .908 15 .046 25 .284 1 .00 0 .58

ISG 92

ATOM 92 C VAL 12 -23 .847 12 .971 23 .807 1 .00 0 .58

ISG 93

ATOM 93 O VAL 12 -23 .401 12 .736 24 .930 1 .00 0 .58

ISG 94

ATOM 94 N THR 13 -23 .078 12 .956 22 .707 1 .00 0 .28

ISG 95

ATOM 95 CA THR 13 -21 .717 12 .548 22 .825 1 .00 0 .28

ISG 96

ATOM 96 CB THR 13 -21 .433 11. .275 22 .080 1 .00 0 , .28

ISG 97

ATOM 97 OGl THR 13 -22 .259 10. .231 22 , .574 1 .00 0. .28

ISG 98

ATOM 98 CG2 THR 13 -19 .952 10. 906 22 , ,256 1 , .00 0. 28

ISG 99

ATOM 99 C THR 13 -20 .808 13. 599 22. ,282 1. .00 0. 28

ISG 100

ATOM 100 O THR 13 -21 .151 14. 331 21. 354 1. 00 0. 28

ISG 101

ATOM 101 N LEU 14 -19 .612 13. 703 22. 897 1. 00 0. 14

ISG 102

ATOM 102 CA LEU 14 -18 .598 14. 608 22. 446 1. 00 0. 14

ISG 103

ATOM 103 CB LEU 14 -18 .031 15. 491 23. 569 1. 00 0. 14

ISG 104

ATOM 104 CG LEU 14 -19 .097 16. 348 24. 277 1. 00 0. 14

ISG 105

ATOM 105 CD2 LEU 14 •19 .977 17. 103 23. 269 1. 00 0. 14

ISG 106

ATOM 106 CDl LEU 14 •18 .460 17. 267 25. 331 1. 00 0. 14

ISG 107

ATOM 107 C LEU 14 ^■17 .479 13. 725 21. 985 1. 00 0. 14

ISG 108

ATOM 108 O LEU 14 ^■16 .780 13. 124 22. 801 1. 00 0. 14

ISG 109

ATOM 109 N PRO 15 17 .293 13. 622 20. 698 1. 00 0. 18

ISG 110

ATOM 110 CA PRO 15 ^■16 .263 12. 747 20. 208 1. 00 0. 18

ISG 111 320

ATOM 111 CD PRO 15 •18 .428 13 .674 19 .790 1. , 00 0 .18

ISG 112

ATOM 112 CB PRO 15 ^■16 .567 12 .521 18 .730 1. 00 0 .18

ISG 113

ATOM 113 CG PRO 15 ^■18 .095 12 .693 18 .653 1. 00 0 .18

ISG 114

ATOM 114 C PRO 15 14 .885 13 .255 20 .476 1. 00 0 .18

ISG 115

ATOM 115 O PRO 15 •14 .614 14 .430 20 .228 1. 00 0 .18

ISG 116

ATOM 116 N CYS 16 13 .997 12 .374 20 .972 1. 00 0 .35

ISG 117

ATOM 117 CA CYS 16 12 .636 12 .745 21 .224 1. 00 0 .35

ISG 118

ATOM 118 CB CYS 16 12 .430 13 .247 22 .671 1. 00 0 .35

ISG 119

ATOM 119 SG CYS 16 10 .764 13 .898 23 .003 1. 00 0 .35

ISG 120

ATOM 120 C CYS 16 11 .841 11 .488 21 .016 1. 00 0 .35

ISG 121

ATOM 121 O CYS 16 12 .076 10 .486 21 .692 1. 00 0 .35

ISG 122

ATOM 122 N LEU 17 10 .873 11 .514 20 .071 1. 00 0 .58

ISG 123

ATOM 123 CA LEU 17 10 .128 10 .332 19 .716 1. 00 0 .58

ISG 124

ATOM 124 CB LEU 17 10. .479 9 .810 18 .312 1. 00 0 .58

ISG 125

ATOM 125 CG LEU 17 -9, .705 8 .546 17 .885 1. 00 0 .58

ISG 126

ATOM 126 CD2 LEU 17 -9. ,786 8 .325 16 .367 1. 00 0 .58

ISG 127

ATOM 127 CDl LEU 17 10. ,152 7 .314 18 .688 1. 00 0 .58

ISG 128

ATOM 128 C LEU 17 -8. 667 10 .660 19 .682 1. 00 0 .58

ISG 129

ATOM 129 O LEU 17 -8. 271 11 .821 19 .593 1. 00 0 .58

ISG 130

ATOM 130 N TYR 18 -7. 833 9 .602 19 .726 1. 00 0 .48

ISG 131

ATOM 131 CA TYR 18 -6. 410 9 .725 19 .818 1. 00 0 .48

ISG 132

ATOM 132 CB TYR 18 -6. 084 9 .813 21 .322 1. 00 0 .48

ISG 133

ATOM 133 CG TYR 18 -4. 647 9 .661 21 .625 1. 00 0 .48

ISG 134

ATOM 134 CDl TYR 18 -3. 840 10 .766 21 .656 1. 00 0 .48

ISG 135

ATOM 135 CD2 TYR 18 -4. 120 8 .420 21 .901 1. 00 0 .48

ISG 136

ATOM 136 CEl TYR 18 -2. 506 10 .630 21 .948 1. 00 0 .48

ISG 137

ATOM 137 CE2 TYR 18 -2. 786 8 .282 22 .195 1. 00 0 .48

ISG 138

ATOM 138 CZ TYR 18 -1. 975 9 .390 22 .210 1. 00 0 .48

ISG 139 321

ATOM 139 OH TYR 18 -0 .604 9 .255 22 .507 1 .00 0 .48

ISG 140

ATOM 140 C TYR 18 -5 .816 8 .473 19 .234 1 .00 0 .48

ISG 141

ATOM 141 O TYR 18 -6 .381 7 .390 19 .378 1 .00 0 .48

ISG 142

ATOM 142 N SER 19 -4 .654 8 .592 18 .554 1 .00 0 .22

ISG 143

ATOM 143 CA SER 19 -4 .024 7 .458 17 .932 1 .00 0 .22

ISG 144

ATOM 144 CB SER 19 -3 .171 7 .837 16 .709 1 .00 0 .22

ISG 145

ATOM 145 OG SER 19 _ 2 .580 6 .675 16 .144 1 .00 0 .22

ISG 146

ATOM 146 C SER 19 -3 .108 6 .832 18 .932 1 .00 0 .22

ISG 147

ATOM 147 O SER 19 -2 .339 7 .519 19 .598 1 .00 0 .22

ISG 148

ATOM 148 N SER 20 -3 .148 5 .493 19 .046 1 .00 0 .23

ISG 149

ATOM 149 CA SER 20 -2 .371 4 .833 20 .053 1 .00 0 .23

ISG 150

ATOM 150 CB SER 20 -3 .134 3 .673 20 .712 1 .00 0 .23

ISG 151

ATOM 151 OG SER 20 -3 .390 2 .657 19 .753 1. .00 0 .23

ISG 152

ATOM 152 C SER 20 -1 .140 4 .247 19 .433 1. .00 0 .23

ISG 153

ATOM 153 O SER 20 -0. .428 3 , .489 20 .089 1. .00 0. .23

ISG 154

ATOM 154 N TRP 21 -0. .840 4. .581 18 .162 1. .00 0. .36

ISG 155

ATOM 155 CA TRP 21 0. .337 4. .016 17. .565 1. 00 0. 36

ISG 156

ATOM 156 CB TRP 21 0. ,527 4. 331 16. .065 1. 00 0. 36

ISG 157

ATOM 157 CG TRP 21 0. 483 5. 786 15. 660 1. 00 0. 36

ISG 158

ATOM 158 CD2 TRP 21 ^•0. 289 6. 269 14. 549 1. 00 0. 36

ISG 159

ATOM 159 CDl TRP 21 1. 164 6. 861 16. 152 1. 00 0. 36

ISG 160

ATOM 160 NEl TRP 21 0. 849 7. 988 15. 429 1. 00 0. 36

ISG 161

ATOM 161 CE2 TRP 21 0. 040 7. 636 14. 434 1. 00 0. 36

ISG 162

ATOM 162 CE3 TRP 21 129 5. 623 13. 687 1. 00 0. 36

ISG 163

ATOM 163 CZ2 TRP 21 632 8. 380 13. 453 1. 00 0. 36

ISG 164

ATOM 164 CZ3 TRP 21 1. 730 6. 377 12. 704 1. 00 0. 36

ISG 165

ATOM 165 CH2 TRP 21 1. 487 7. 730 12. 589 1. 00 0. 36

ISG 166

ATOM 166 C TRP 21 1. 541 4. 497 18. 308 1. 00 0. 36

ISG 167 322

ATOM 167 O TRP 21 2. ,488 3 .743 18. .525 1. ,00 0 .36

ISG 168

ATOM 168 N SER 22 1. 520 5 .770 18. .736 1. 00 0 .46

ISG 169

ATOM 169 CA SER 22 2. 623 6 .348 19. 442 1. 00 0 .46

ISG 170

ATOM 170 CB SER 22 2. 359 7 .805 19. 854 1. 00 0 .46

ISG 171

ATOM 171 OG SER 22 1. 267 7 .862 20. 761 1. 00 0 .46

ISG 172

ATOM 172 C SER 22 2. 820 5 .563 20. 692 1. 00 0 .46

ISG 173

ATOM 173 O SER 22 3. 944 5 .393 21. 159 1. 00 0 .46

ISG 174

ATOM 174 N HIS 23 1. 716 5 .106 21. 304 1. 00 0 .60

ISG 175

ATOM 175 CA HIS 23 1. 862 4 .277 22. 454 1. 00 0 .60

ISG 176

ATOM 176 NDl HIS 23 2. 292 6 .795 25. 360 1. 00 0 .60

ISG 177

ATOM 177 CG HIS 23 1. 921 6 .192 24. 178 1. 00 0 .60

ISG 178

ATOM 178 CB HIS 23 2. 566 4 .943 23. 656 1. 00 0 .60

ISG 179

ATOM 179 NE2 HIS 23 0. 659 8 .033 24. 502 1. 00 0 .60

ISG 180

ATOM 180 CD2 HIS 23 0. 923 6 .962 23. 667 1. 00 0 .60

ISG 181

ATOM 181 CEl HIS 23 1. 505 7 .891 25. 505 1. 00 0 .60

ISG 182

ATOM 182 C HIS 23 0. 517 3 .854 22. 834 1. 00 0 .60

ISG 183

ATOM 183 O HIS 23 0. 403 4 .675 22. 798 1. 00 0 .60

ISG 184

ATOM 184 N ASN 24 0. 428 2 .542 23. 165 1. 00 0 .61

ISG 185

ATOM 185 CA ASN 24 0. 734 1 .805 23. 562 1. 00 0 .61

ISG 186

ATOM 186 CB ASN 24 0. 435 0 .688 24. 577 1. 00 0 .61

ISG 187

ATOM 187 CG ASN 24 1. 694 -0 .160 24. 710 1. 00 0 .61

ISG 188

ATOM 188 ODl ASN 24 2. 747 0 .183 24. 175 1. 00 0 .61

ISG 189

ATOM 189 ND2 ASN 24 1. 587 -1 .299 25. 446 1. 00 0 .61

ISG 190

ATOM 190 C ASN 24 1. 682 2 .747 24. 189 1. 00 0 .61

ISG 191

ATOM 191 O ASN 24 2. 866 2 .749 23. 858 1. 00 0 .61

ISG 192

ATOM 192 N SER 25 1. 166 3 .624 25. 074 1. 00 0 .46

ISG 193

ATOM 193 CA SER 25 2. 104 4 .538 25. 634 1. 00 0 .46

ISG 194

ATOM 194 CB SER 25 3. 033 3 .935 26. 708 1. 00 0 .46

ISG 195 323

ATOM 195 OG SER 25 -3 .973 3 .026 26 .156 1. .00 0 .46

ISG 196

ATOM 196 C SER 25 -1 .411 5, .630 26 .356 1. ,00 0 .46

ISG 197

ATOM 197 O SER 25 -0 .196 5 , .632 26 .538 1. , 00 0 .46

ISG 198

ATOM 198 N ASN 26 -2 .238 6. .604 26 .772 1. 00 0 .33

ISG 199

ATOM 199 CA ASN 26 _ -^ .837 7. .718 27 .563 1. 00 0 .33

ISG 200

ATOM 200 CB ASN 26 -1 .457 8. 963 26 .737 1. 00 0 .33

ISG 201

ATOM 201 CG ASN 26 -2 .670 9. 409 25 .932 1. 00 0 .33

ISG 202

ATOM 202 ODl ASN 26 -3 .213 8. 650 25 .130 1. 00 0 .33

ISG 203

ATOM 203 ND2 ASN 26 -3 .110 10. 677 26 .149 1. 00 0 .33

ISG 204

ATOM 204 C ASN 26 -3 .027 8. 070 28 .402 1. 00 0 .33

ISG 205

ATOM 205 O ASN 26 -4 .083 7. 447 28 .286 1. 00 0 .33

ISG 206

ATOM 206 N SER 27 -2 .868 9. 071 29 .291 1. 00 0 .49

ISG 207

ATOM 207 CA SER 27 -3 .915 9. 476 30 .189 1. 00 0 .49

ISG 208

ATOM 208 CB SER 27 -3 .381 10. 171 31 .455 1. 00 0 .49

ISG 209

ATOM 209 OG SER 27 -2 .458 9. 333 32 .132 1. 00 0 .49

ISG 210

ATOM 210 C SER 27 -4 .801 10. 487 29 .517 1. 00 0. .49

ISG 211

ATOM 211 O SER 27 •4 .377 11. 184 28 .595 1. 00 0 , .49

ISG 212

ATOM 212 N MET 28 .076 10. 576 29 .965 1. 00 0. ,60

ISG 213

ATOM 213 CA MET 28 .973 11. 577 29 .450 1. 00 0. 60

ISG 214

ATOM 214 CB MET 28 ^•7 .798 11. 151 28 .214 1. 00 0. 60

ISG 215

ATOM 215 CG MET 28 •8 .358 9. 729 28 .230 1. 00 0. 60

ISG 216

ATOM 216 SD MET 28 .175 8. 460 27 .682 1. 00 0. 60

ISG 217

ATOM 217 CE MET 28 8 .384 7. 110 27 .788 1. 00 0. 60

ISG 218

ATOM 218 C MET 28 7 .913 12. 048 30 .526 1. 00 0. 60

ISG 219

ATOM 219 O MET 28 8 .309 11. 284 31 .405 1. 00 0. 60

ISG 220

ATOM 220 N CYS 29 8 .273 13. 353 30 .493 1. 00 0. 32

ISG 221

ATOM 221 CA CYS 29 9 .205 13. 892 31 .451 1. 00 0. 32

ISG 222

ATOM 222 CB CYS 29 8 .579 34. 783 32 .557 1. 00 0. 32

ISG 223 324

ATOM 223 SG CYS 29 -7 .809 16. .335 31. .990 1. 00 0 .32

ISG 224

ATOM 224 C CYS 29 -10 .216 14. 714 30. 706 1. 00 0 .32

ISG 225

ATOM 225 O CYS 29 -9 .948 15. 204 29. 609 1. 00 0 .32

ISG 226

ATOM 226 N TRP 30 -11 .432 14. 846 31. 281 1. 00 0 .10

ISG 227

ATOM 227 CA TRP 30 -12 .479 15. 639 30. 691 1. 00 0 .10

ISG 228

ATOM 228 CB TRP 30 -13 .768 14. 858 30. 364 1. 00 0 .10

ISG 229

ATOM 229 CG TRP 30 -13 .688 13. 959 29. 154 1. 00 0 .10

ISG 230

ATOM 230 CD2 TRP 30 -14 .061 14. 372 27. 829 1. 00 0 .10

ISG 231

ATOM 231 CDl TRP 30 -13 .298 12. 655 29. 056 1. 00 0 .10

ISG 232

ATOM 232 NEl TRP 30 -13 .403 12. 229 27. 754 1. 00 0 .10

ISG 233

ATOM 233 CE2 TRP 30 -13 .873 13. 277 26. 988 1. 00 0 .10

ISG 234

ATOM 234 CE3 TRP 30 -14 .526 15. 568 27. 355 1. 00 0 .10

ISG 235

ATOM 235 CZ2 TRP 30 -14 .149 13. 359 25. 654 1. 00 0 .10

ISG 236

ATOM 236 CZ3 TRP 30 -14 .799 15. 650 26. 008 1. 00 0. .10

ISG 237

ATOM 237 CH2 TRP 30 -14 .614 14. 565 25. 176 1. 00 0. .10

ISG 238

ATOM 238 C TRP 30 -12 .854 16. 697 31. 681 1. 00 0. .10

ISG 239

ATOM 239 O TRP 30 -12 .781 16. 482 32. 889 1. 00 0 , .10

ISG 240

ATOM 240 N GLY 31 -13 .268 17. 888 31. 195 1. 00 0. 19

ISG 241

ATOM 241 CA GLY 31 -13 .609 18. 916 32. 139 1. 00 0. 19

ISG 242

ATOM 242 C GLY 31 -14 .515 19. 927 31. 510 1. 00 0. 19

ISG 243

ATOM 243 O GLY 31 •14 .549 20. 092 30. 294 1. 00 0. 19

ISG 244

ATOM 244 N LYS 32 •15 .290 20. 636 32. 357 1. 00 0. 40

ISG 245

ATOM 245 CA LYS 32 ^•16 .153 21. 660 31. 852 1. 00 0. 40

ISG 246

ATOM 246 CB LYS 32 ^•17 .419 21. 879 32. 696 1. 00 0. 40

ISG 247

ATOM 247 CG LYS 32 ^•18 .400 20. 706 32. 616 1. 00 0. 40

ISG 248

ATOM 248 CD LYS 32 19 .596 20. 851 33. 556 1. 00 0. 40

ISG 249

ATOM 249 CE LYS 32 19 .437 20. 128 34. 893 1. 00 0. 40

ISG 250

ATOM 250 NZ LYS 32 19 .968 18. 750 34. 795 1. 00 0. 40

ISG 251 325

ATOM 251 C LYS 32 -15 .354 22 .918 31 .811 1 .00 0 .40

ISG 252

ATOM 252 O LYS 32 ^•14 .408 23 .073 32 .581 1 .00 0 .40

ISG 253

ATOM 253 N ASP 33 ^■15 .720 23 .836 30 .890 1 .00 0 .61

ISG 254

ATOM 254 CA ASP 33 ^•15 .039 25 .084 30 .690 1 .00 0 .61

ISG 255

ATOM 255 CB ASP 33 14 .525 25 .732 31 .999 1 .00 0 .61

ISG 256

ATOM 256 CG ASP 33 14 .313 27 .216 31 .757 1 .00 0 .61

ISG 257

ATOM 257 ODl ASP 33 14 .663 27 .686 30 .646 1 .00 0 .61

ISG 258

ATOM 258 0D2 ASP 33 13 .796 27 .900 32 .683 1 .00 0 .61

ISG 259

ATOM 259 C ASP 33 13 .907 24 .819 29 .736 1 .00 0 .61

ISG 260

ATOM 260 O ASP 33 13 .559 23 .666 29 .480 1 .00 0 .61

ISG 261

ATOM 261 N GLN 34 13 .327 25 .892 29 .155 1 .00 0 .88

ISG 262

ATOM 262 CA GLN 34 12 .267 25 .788 28 .182 1 .00 0 .88

ISG 263

ATOM 263 CB GLN 34 11. .656 27 .134 27 .783 1, .00 0 .88

ISG 264

ATOM 264 CG GLN 34 12, .623 28 .147 27 .210 1 , .00 0 .88

ISG 265

ATOM 265 CD GLN 34 12. 847 27. .763 25 .765 1. , 00 0 , , 88

ISG 266

ATOM 266 OEl GLN 34 13. 241 26, , 637 25 .467 1. .00 0. ,88

ISG 267

ATOM 267 NE2 GLN 34 12. 581 28 , ,720 24 .836 1. 00 0. ,88

ISG 268

ATOM 268 C GLN 34 11. 096 25. .159 28 .848 1. 00 0. ,88

ISG 269

ATOM 269 O GLN 34 10. 901 25. 341 30 .048 1. 00 0. 88

ISG 270

ATOM 270 N CYS 35 10. 256 24. 428 28 .084 1. 00 0. 82

ISG 271

ATOM 271 CA CYS 35 -9. 101 23. 887 28 .743 1. 00 0. 82

ISG 272

ATOM 272 CB CYS 35 -8. 188 22. 919 27 .976 1. 00 0. 82

ISG 273

ATOM 273 SG CYS 35 -8. 382 21. 206 28 .525 1. 00 0. 82

ISG 274

ATOM 274 C CYS 35 -8. 179 24. 965 29 .194 1. 00 0. 82

ISG 275

ATOM 275 O CYS 35 -7. 985 25. 984 28 .534 1. 00 0. 82

ISG 276

ATOM 276 N PRO 36 660 24. 724 30 .371 1. 00 0. 49

ISG 277

ATOM 277 CA PRO 36 -6. 646 25. 608 30 .889 1. 00 0. 49

ISG 278

ATOM 278 CD PRO 36 -8. 554 24. 285 31 .436 1. 00 0. 49

ISG 279 326

ATOM 279 CB PRO 36 -6 .729 25 .525 32 .409 1 .00 0 .49

ISG 280

ATOM 280 CG PRO 36 -8 .182 25 .117 32 .673 1 .00 0 .49

ISG 281

ATOM 281 C PRO 36 -5 .269 25 .280 30 .378 1 .00 0 .49

ISG 282

ATOM 282 O PRO 36 -5 .116 24 .996 29 .195 1 .00 0 .49

ISG 283

ATOM 283 N TYR 37 -4 .259 25 .328 31 .275 1 .00 0 .45

ISG 284

ATOM 284 CA TYR 37 -2 .911 24 .961 30 .927 1 .00 0 .45

ISG 285

ATOM 285 CB TYR 37 -1 .787 25 .909 31 .361 1 .00 0 .45

ISG 286

ATOM 286 CG TYR 37 -1 .515 26 .802 30 .207 1 .00 0 .45

ISG 287

ATOM 287 CDl TYR 37 -1 .342 26 .284 28 .942 1 .00 0 .45

ISG 288

ATOM 288 CD2 TYR 37 -1 .358 28 .154 30 .392 1 .00 0 .45

ISG 289

ATOM 289 CEl TYR 37 -1 .059 27 .104 27 .873 1 .00 0 .45

ISG 290

ATOM 290 CE2 TYR 37 -1 .075 28 .975 29 .327 1, .00 0 .45

ISG 291

ATOM 291 CZ TYR 37 -0 .935 28, .465 28 .060 1 , .00 0 .45

ISG 292

ATOM 292 OH TYR 37 -0 .646 29. .320 26 .970 1. , 00 0, .45

ISG 293

ATOM 293 C TYR 37 -2 .552 23. , 642 31 .517 1. ,00 0 , .45

ISG 294

ATOM 294 O TYR 37 -1 .882 22. 838 30 .875 1. 00 0. .45

ISG 295

ATOM 295 N SER 38 •2 .955 23. 406 32 .780 1. 00 0. ,42

ISG 296

ATOM 296 CA SER 38 .616 22. 162 33 .399 1. 00 0. 42

ISG 297

ATOM 297 CB SER 38 .934 22. 288 34 .779 1. 00 0. 42

ISG 298

ATOM 298 OG SER 38 .690 22. 965 34 .671 1. 00 0. 42

ISG 299

ATOM 299 C SER 38 .883 21. 420 33 .648 1. 00 0. 42

ISG 300

ATOM 300 O SER 38 .850 21. 948 34 .193 1. 00 0. 42

ISG 301

ATOM 301 N GLY 39 3 .899 20. 159 33 .185 1. 00 0. 22

ISG 302

ATOM 302 CA GLY 39 4 .969 19. 257 33 .464 1. 00 0. 22

ISG 303

ATOM 303 C GLY 39 6 .263 19. 799 32 .961 1. 00 0. 22

ISG 304

ATOM 304 O GLY 39 6 .298 20. 617 32 .043 1. 00 0. 22

ISG 305

ATOM 305 N CYS 40 7 .364 19. 332 33 .590 1. 00 0. 21

ISG 306

ATOM 306 CA CYS 40 8 .698 19. 716 33 .223 1. 00 0. 21

ISG 307 327

ATOM 307 CB CYS 40 -9 .667 18 .527 33 .019 1 .00 0 .21

ISG 308

ATOM 308 SG CYS 40 -9 .371 17 .546 31 .514 1 .00 0 .21

ISG 309

ATOM 309 C CYS 40 -9 .279 20 .529 34 .336 1 .00 0 .21

ISG 310

ATOM 310 O CYS 40 -8 .973 20 .312 35 .508 1 .00 0 .21

ISG 311

ATOM 311 N LYS 41 -10 .144 21 .502 33 .975 1 .00 0 .39

ISG 312

ATOM 312 CA LYS 41 -10 .800 22 .337 34 .941 1 .00 0 .39

ISG 313

ATOM 313 CB LYS 41 -11 .035 23 .783 34 .460 1 .00 0 .39

ISG 314

ATOM 314 CG LYS 41 -11 .482 24 .735 35 .572 1 .00 0 .39

ISG 315

ATOM 315 CD LYS 41 -10 .379 25 .006 36 .596 1 .00 0 .39

ISG 316

ATOM 316 CE LYS 41 -10 .709 26 .130 37 .578 1 .00 0 .39

ISG 317

ATOM 317 NZ LYS 41 -9 .669 26 .197 38 .627 1 .00 0 .39

ISG 318

ATOM 318 C LYS 41 -12 .141 21 .715 35 .193 1 .00 0 .39

ISG 319

ATOM 319 O LYS 41 -12 .795 21 .239 34 .265 1 .00 0 .39

ISG 320

ATOM 320 N GLU 42 -12 .570 21. .698 36 .474 1 .00 0 .41

ISG 321

ATOM 321 CA GLU 42 -13. .804 21. , 096 36 .898 1 .00 0. .41

ISG 322

ATOM 322 CB GLU 42 -15. , 048 21. 989 36. .704 1. .00 0. ,41

ISG 323

ATOM 323 CG GLU 42 -15. .241 22. 575 35. ,309 1. .00 0. 41

ISG 324

ATOM 324 CD GLU 42 -16. 483 23. 448 35. 409 1. 00 0. 41

ISG 325

ATOM 325 OEl GLU 42 -17. 532 22. 919 35. 861 1. 00 0. 41

ISG 326

ATOM 326 OE2 GLU 42 -16. 394 24. 655 35. 057 1. 00 0. 41

ISG 327

ATOM 327 C GLU 42 -13. 947 19. 747 36. 264 1. 00 0. 41

ISG 328

ATOM 328 O GLU 42 ^■14 . 923 19. 451 35. 576 1. 00 0. 41

ISG 329

ATOM 329 N ALA 43 ^■12 . 966 18. 869 36. 558 1. 00 0. 24

ISG 330

ATOM 330 CA ALA 43 •12. 836 17. 563 35. 975 1. 00 0. 24

ISG 331

ATOM 331 CB ALA 43 ^■11. 643 16. 757 36. 521 1. 00 0. 24

ISG 332

ATOM 332 C ALA 43 14. 061 16. 724 36. 146 1. 00 0. 24

ISG 333

ATOM 333 O ALA 43 14. 733 16. 743 37. 177 1. 00 0. 24

ISG 334

ATOM 334 N LEU 44 14. 383 15. 984 35. 064 1. 00 0. 22

ISG 335 328

ATOM 335 CA LEU 44 -15 .500 15 .090 35 .018 1 .00 0 .22

ISG 336

ATOM 336 CB LEU 44 -16 .345 15 .276 33 .748 1 .00 0 .22

ISG 337

ATOM 337 CG LEU 44 -16 .899 16 .698 33 .560 1 .00 0 .22

ISG 338

ATOM 338 CD2 LEU 44 -17 .468 17 .268 34 .868 1 .00 0 .22

ISG 339

ATOM 339 CDl LEU 44 -17 .903 16 .741 32 .399 1 .00 0 .22

ISG 340

ATOM 340 C LEU 44 -14 .976 13 .683 34 .962 1 .00 0 .22

ISG 341

ATOM 341 O LEU 44 -15 .517 12 .782 35 .604 1 .00 0 .22

ISG 342

ATOM 342 N ILE 45 -13 .909 13 .455 34 .164 1 .00 0 .40

ISG 343

ATOM 343 CA ILE 45 -13 .395 12 .122 33 .993 1 .00 0 .40

ISG 344

ATOM 344 CB ILE 45 -13 .873 11 .468 32 .708 1 .00 0 .40

ISG 345

ATOM 345 CG2 ILE 45 -12 .972 10 .277 32 .332 1 .00 0 .40

ISG 346

ATOM 346 CGl ILE 45 -15 .359 11 .081 32 .808 1 .00 0 .40

ISG 347

ATOM 347 CDl ILE 45 -16 .336 12 .251 32 .772 1 .00 0 .40

ISG 348

ATOM 348 C ILE 45 -11 .895 12 .127 33 .987 1. .00 0 .40

ISG 349

ATOM 349 O ILE 45 -11. .255 13. .112 33 .619 1. , 00 0. .40

ISG 350

ATOM 350 N ARG 46 -11. .302 11. .009 34. .461 1. 00 0 , ,40

ISG 351

ATOM 351 CA ARG 46 -9. .889 10. .787 34. .402 1. 00 0. ,40

ISG 352

ATOM 352 CB ARG 46 -9. ,165 10. 956 35. .748 1. 00 0. 40

ISG 353

ATOM 353 CG ARG 46 -9. 209 12. 381 36. .303 1. 00 0. 40

ISG 354

ATOM 354 CD ARG 46 -8. 400 12. 556 37. 589 1. 00 0. 40

ISG 355

ATOM 355 NE ARG 46 -6. 959 12. 437 37. 228 1. 00 0. 40

ISG 356

ATOM 356 CZ ARG 46 -6. 036 12. 208 38. 206 1. 00 0. 40

ISG 357

ATOM 357 NHl ARG 46 -6. 444 12. 079 39. 502 1. 00 0. 40

ISG 358

ATOM 358 NH2 ARG 46 -4. 712 12. 106 37. 891 1. 00 0. 40

ISG 359

ATOM 359 C ARG 46 -9. 723 9. 360 33. 987 1. 00 0. 40

ISG 360

ATOM 360 O ARG 46 10. 494 8. 493 34. 398 1. 00 0. 40

ISG 361

ATOM 361 N THR 47 -8. 714 9. 080 33. 139 1. 00 0. 21

ISG 362

ATOM 362 CA THR 47 -8. 486 7. 738 32. 686 1. 00 0. 21

ISG 363 329

ATOM 363 CB THR 47 -8 .624 7 .579 31 .201 1 .00 0 .21

ISG 364

ATOM 364 OGl THR 47 -7 .604 8 .318 30 .549 1 .00 0 .21

ISG 365

ATOM 365 CG2 THR 47 -10 .003 8 .100 30 .763 1 .00 0 .21

ISG 366

ATOM 366 C THR 47 -7 .057 7 .432 32 .988 1 .00 0 .21

ISG 367

ATOM 367 O THR 47 -6 .234 8 .338 33 .112 1 .00 0 .21

ISG 368

ATOM 368 N ASP 48 -6 .730 6 .135 33 .133 1 .00 0 .12

ISG 369

ATOM 369 CA ASP 48 -5 .377 5 .745 33 .390 1 .00 0 .12

ISG 370

ATOM 370 CB ASP 48 - 5 .251 4 .675 34 .491 1 .00 0 .12

ISG 371

ATOM 371 CG ASP 48 -5 .977 3 .411 34 .052 1 .00 0 .12

ISG 372

ATOM 372 ODl ASP 48 -6 .946 3 .527 33 .256 1 .00 0 .12

ISG 373

ATOM 373 OD2 ASP 48 -5 .572 2 .311 34 .514 1 .00 0 .12

ISG 374

ATOM 374 C ASP 48 -4 .827 5 .184 32 .118 1 .00 0 .12

ISG 375

ATOM 375 O ASP 48 ~ 3 .736 4 .616 32 .105 1 .00 0 .12

ISG 376

ATOM 376 N GLY 49 -5 .579 5 .352 31. .010 1. .00 0 .25

ISG 377

ATOM 377 CA GLY 49 -5 .155 4 , .905 29. ,713 1. , 00 0 , .25

ISG 378

ATOM 378 C GLY 49 -6. .062 3. , 809 29. ,236 1. 00 0 , ,25

ISG 379

ATOM 379 O GLY 49 -6. .388 3. 745 28. 050 1. 00 0. .25

ISG 380

ATOM 380 N MET 50 -6. ,491 2. 920 30. 154 1. 00 0. 44

ISG 381

ATOM 381 CA MET 50 _ n 285 1. 778 29. 787 1. 00 0. 44

ISG 382

ATOM 382 CB MET 50 -6. 711 0. 472 30. 361 1. 00 0. 44

ISG 383

ATOM 383 CG MET 50 -5. 346 0. 079 29. 791 1. 00 0. 44

ISG 384

ATOM 384 SD MET 50 -5. 387 -0. 517 28. 075 1. 00 0. 44

ISG 385

ATOM 385 CE MET 50 -3. 602 -0. 833 27. 970 1. 00 0. 44

ISG 386

ATOM 386 C MET 50 -8. 682 1. 884 30. 331 1. 00 0. 44

ISG 387

ATOM 387 O MET 50 „ Q 623 1. 360 29. 735 1. 00 0. 44

ISG 388

ATOM 388 N ARG 51 -8. 857 2. 500 31. 516 1. 00 0. 38

ISG 389

ATOM 389 CA ARG 51 10. 173 2. 534 32. 095 1. 00 0. 38

ISG 390

ATOM 390 CB ARG 51 10. 432 1. 349 33. 042 1. 00 0. 38

ISG 391 330

ATOM 391 CG ARG 51 -9 .384 1 .194 34 .151 1 .00 0 .38

ISG 392

ATOM 392 CD ARG 51 -9 .377 2. .299 35 .207 1 .00 0 .38

ISG 393

ATOM 393 NE ARG 51 -8 .300 1 , , 962 36 .180 1 .00 0 .38

ISG 394

ATOM 394 CZ ARG 51 p .544 1. .030 37 .146 1 .00 0 .38

ISG 395

ATOM 395 NHl ARG 51 -9 .754 0. .403 37 .179 1 .00 0 .38

ISG 396

ATOM 396 NH2 ARG 51 -7 .586 0. 721 38 .067 1 .00 0 .38

ISG 397

ATOM 397 C ARG 51 10 .368 3. 799 32 .868 1 .00 0 .38

ISG 398

ATOM 398 O ARG 51 -9 .414 4. 501 33 .198 1 .00 0 .38

ISG 399

ATOM 399 N VAL 52 11 .647 4. 116 33 .168 1 .00 0 .16

ISG 400

ATOM 400 CA VAL 52 11 .984 5. 310 33 .889 1 .00 0 .16

ISG 401

ATOM 401 CB VAL 52 13 .455 5. 620 33 .857 1 .00 0 .16

ISG 402

ATOM 402 CGl VAL 52 13 .717 6. 897 34 .673 1 .00 0 .16

ISG 403

ATOM 403 CG2 VAL 52 13 .898 5. 717 32 .388 1 .00 0 .16

ISG 404

ATOM 404 C VAL 52 11 .582 5. 123 35 .315 1 .00 0 .16

ISG 405

ATOM 405 O VAL 52 11 .852 4. 087 35 .921 1 .00 0 .16

ISG 406

ATOM 406 N THR 53 10 .904 6. 138 35 .882 1 .00 0 .17

ISG 407

ATOM 407 CA THR 53 10 .471 6. 059 37 .243 1 .00 0 .17

ISG 408

ATOM 408 CB THR 53 -9 .052 6. 512 37 .436 1 .00 0 .17

ISG 409

ATOM 409 OGl THR 53 -8 .908 7. 870 37 .048 1 .00 0 .17

ISG 410

ATOM 410 CG2 THR 53 -8 .129 5. 616 36 .592 1 .00 0 .17

ISG 411

ATOM 411 C THR 53 11 .353 6. 953 38 .051 1 .00 0 .17

ISG 412

ATOM 412 O THR 53 11 .746 6. 600 39 .161 1 .00 0 .17

ISG 413

ATOM 413 N SER 54 11 .693 8. 142 37 .510 1 .00 0 .44

ISG 414

ATOM 414 CA SER 54 12 .518 9. 045 38 .260 1 .00 0 .44

ISG 415

ATOM 415 CB SER 54 11 .800 10. 346 38 .660 1 .00 0 .44

ISG 416

ATOM 416 OG SER 54 10 .732 10. 062 39 .552 1 .00 0 .44

ISG 417

ATOM 417 C SER 54 13 .711 9. 432 37 .444 1 .00 0 .44

ISG 418

ATOM 418 O SER 54 13 .610 9. 667 36 .240 1. .00 0 .44

ISG 419 331

ATOM 419 N ARG 55 -14 .890 9. .488 38 .101 1. 00 0 .59

ISG 420

ATOM 420 CA ARG 55 -16 .100 9. ,886 37 .444 1. 00 0 .59

ISG 421

ATOM 421 CB ARG 55 -17 .031 8. 708 37 .139 1. 00 0 .59

ISG 422

ATOM 422 CG ARG 55 -18 .323 9. 108 36 .432 1. 00 0 .59

ISG 423

ATOM 423 CD ARG 55 -19 .215 7. 906 36 .128 1. 00 0 .59

ISG 424

ATOM 424 NE ARG 55 -18 .389 6. 949 35 .340 1. 00 0 .59

ISG 425

ATOM 425 CZ ARG 55 -17 .629 6. 016 35 .984 1. 00 0 .59

ISG 426

ATOM 426 NHl ARG 55 -17 .668 5. 920 37 .345 1. 00 0 .59

ISG 427

ATOM 427 NH2 ARG 55 -16 .833 5. 171 35 .265 1. 00 0 .59

ISG 428

ATOM 428 C ARG 55 -16 .828 10. 811 38 .369 1. 00 0 .59

ISG 429

ATOM 429 O ARG 55 -17 .232 10. 428 39 .467 1. 00 0 .59

ISG 430

ATOM 430 N LYS 56 -17 .019 12. 068 37 .928 1. 00 0 .40

ISG 431

ATOM 431 CA LYS 56 -17 .661 13. 077 38 .720 1. 00 0 .40

ISG 432

ATOM 432 CB LYS 56 -17 .695 14. 430 37 .987 1. 00 0 .40

ISG 433

ATOM 433 CG LYS 56 -18 .350 15. 557 38 .785 1. 00 0 .40

ISG 434

ATOM 434 CD LYS 56 -18 .114 16. 944 38 .186 1. 00 0 .40

ISG 435

ATOM 435 CE LYS 56 -18 .614 18. 084 39 .075 1. 00 0 .40

ISG 436

ATOM 436 NZ LYS 56 -20 .056 17. 911 39 .363 1. 00 0 .40

ISG 437

ATOM 437 C LYS 56 -19 .083 12. 687 38 .963 1. 00 0 .40

ISG 438

ATOM 438 O LYS 56 -19 .569 12. 741 40 .092 1. 00 0 .40

ISG 439

ATOM 439 N SER 57 -19 .781 12. 272 37 .890 1. 00 0 .18

ISG 440

ATOM 440 CA SER 57 -21 .174 11. 942 37 .978 1. 00 0 .18

ISG 441

ATOM 441 CB SER 57 -22 .061 13. 030 37 .345 1. 00 0 .18

ISG 442

ATOM 442 OG SER 57 -23 .430 12. 660 37 .410 1. 00 0 .18

ISG 443

ATOM 443 C SER 57 •21 .391 10. 694 37 .186 1. 00 0 .18

ISG 444

ATOM 444 O SER 57 ^■20 .706 10. 450 36 .195 1. 00 0 .18

ISG 445

ATOM 445 N ALA 58 •22 .344 9. 851 37 .627 1. 00 0 .37

ISG 446

ATOM 446 CA ALA 58 •22 .617 8. 623 36 .938 1. 00 0 .37

ISG 447 332

ATOM 447 CB ALA 58 -23 .596 7 .719 37 .707 1 .00 0 .37

ISG 448

ATOM 448 C ALA 58 -23 .224 8 .897 35 .593 1 .00 0 .37

ISG 449

ATOM 449 O ALA 58 -23 .498 7 .964 34 .839 1 .00 0 .37

ISG 450

ATOM 450 N LYS 59 -23 .405 10 .172 35 .206 1 .00 0 .72

ISG 451

ATOM 451 CA LYS 59 -24 .053 10 .371 33 .941 1 .00 0 .72

ISG 452

ATOM 452 CB LYS 59 -25 .099 11 .502 33 .975 1 .00 0 .72

ISG 453

ATOM 453 CG LYS 59 -24 .537 12 .891 34 .271 1 .00 0 .72

ISG 454

ATOM 454 CD LYS 59 -23 .889 13 .567 33 .064 1 .00 0 .72

ISG 455

ATOM 455 CE LYS 59 -24 .903 14 .340 32 .221 1 .00 0 .72

ISG 456

ATOM 456 NZ LYS 59 -25 .550 15 .380 33 .051 1 .00 0 .72

ISG 457

ATOM 457 C LYS 59 -22 .998 10 .682 32 .932 1 .00 0 .72

ISG 458

ATOM 458 O LYS 59 -23 .293 10 .964 31 .770 1 .00 0 .72

ISG 459

ATOM 459 N TYR 60 -21. .722 10 .600 33 .358 1 .00 0 .71

ISG 460

ATOM 460 CA TYR 60 -20. .639 10 .844 32 .453 1 .00 0 .71

ISG 461

ATOM 461 CB TYR 60 -19. .597 11 .824 33 .014 1 .00 0 .71

ISG 462

ATOM 462 CG TYR 60 -20. ,259 13 , .151 33 .152 1 .00 0 .71

ISG 463

ATOM 463 CDl TYR 60 -20. .247 14 , , 056 32 .121 1 .00 0 .71

ISG 464

ATOM 464 CD2 TYR 60 -20. 910 13. .497 34 .308 1 .00 0 .71

ISG 465

ATOM 465 CEl TYR 60 -20. 858 15. 281 32 .248 1 .00 0 .71

ISG 466

ATOM 466 CE2 TYR 60 -21. 523 14. 719 34 .442 1 .00 0 .71

ISG 467

ATOM 467 CZ TYR 60 -21. 500 15. 619 33 .411 1 .00 0 .71

ISG 468

ATOM 468 OH TYR 60 -22. 129 16. 874 33 .547 1 .00 0 .71

ISG 469

ATOM 469 C TYR 60 ^■19. 951 9. 537 32 .226 1 .00 0 .71

ISG 470

ATOM 470 O TYR 60 ^■19. 482 8. 903 33 .170 1 .00 0 .71

ISG 471

ATOM 471 N ARG 61 ^■19. 876 9. 093 30 .954 1 .00 0 .59

ISG 472

ATOM 472 CA ARG 61 ^■19. 249 7. 825 30 .714 1 .00 0 .59

ISG 473

ATOM 473 CB ARG 61 20. 252 6. 661 30 .676 1 .00 0 .59

ISG 474

ATOM 474 CG ARG 61 19. 606 5. 298 30 .429 1 .00 0 .59

ISG 475 333

ATOM 475 CD ARG 61 -20 .624 4 .162 30 .322 1 .00 0 .59

ISG 476

ATOM 476 NE ARG 61 -21 .367 4 .103 31 .612 1 .00 0 .59

ISG 477

ATOM 477 CZ ARG 61 -20 .905 3 .321 32 .632 1 .00 0 .59

ISG 478

ATOM 478 NHl ARG 61 -19 .764 2 .590 32 .468 1 .00 0 .59

ISG 479

ATOM 479 NH2 ARG 61 -21 .585 3 .273 33 .814 1 .00 0 .59

ISG 480

ATOM 480 C ARG 61 -18 .536 7 .833 29 .395 1 .00 0 .59

ISG 481

ATOM 481 O ARG 61 -18 .884 8 .572 28 .474 1 .00 0 .59

ISG 482

ATOM 482 N LEU 62 -17 .478 7 .000 29 .300 1 .00 0 .62

ISG 483

ATOM 483 CA LEU 62 -16 .745 6 .792 28 .080 1 .00 0 .62

ISG 484

ATOM 484 CB LEU 62 -15 .214 6 .798 28 .254 1 .00 0 .62

ISG 485

ATOM 485 CG LEU 62 -14 .619 8 .169 28 .620 1 .00 0 .62

ISG 486

ATOM 486 CD2 LEU 62 -13 .083 8 .132 28 .565 1 .00 0 .62

ISG 487

ATOM 487 CDl LEU 62 -15 .156 8 .676 29 .968 1 .00 0 .62

ISG 488

ATOM 488 C LEU 62 -17 .105 5 .404 27 .661 1 .00 0 .62

ISG 489

ATOM 489 O LEU 62 -16 .618 4 .435 28 .243 1 .00 0 .62

ISG 490

ATOM 490 N GLN 63 -17 .941 5 .266 26 .614 1 .00 0 .58

ISG 491

ATOM 491 CA GLN 63 -18 .414 3 .952 26 .288 1 .00 0 .58

ISG 492

ATOM 492 CB GLN 63 •19 .911 3 .958 25 .923 1 .00 0 .58

ISG 493

ATOM 493 CG GLN 63 •20 .249 4 .782 24 .677 1 .00 0 .58

ISG 494

ATOM 494 CD GLN 63 ^■20 .011 3 .915 23 .449 1 .00 0 .58

ISG 495

ATOM 495 OEl GLN 63 ^•19 .767 5 .081 23 .757 1 .00 0 .58

ISG 496

ATOM 496 NE2 GLN 63 •20 .604 2 .828 24 .010 1 .00 0 .58

ISG 497

ATOM 497 C GLN 63 17 .657 3 .368 25 .135 1 .00 0 .58

ISG 498

ATOM 498 O GLN 63 ^■17 .938 2 .244 24 .722 1 .00 0 .58

ISG 499

ATOM 499 N GLY 64 16 .648 4 .078 24 .600 1 .00 0 .29

ISG 500

ATOM 500 CA GLY 64 15 .941 3 .520 23 .482 1 .00 0 .29

ISG 501

ATOM 501 C GLY 64 14 .854 2 .634 24 .000 1 .00 0 .29

ISG 502

ATOM 502 O GLY 64 14 .672 2 .486 25 .208 1 .00 0 .29

ISG 503 334

ATOM 503 N THR 65 •14 .098 2 .008 23 .074 1 .00 0 .22

ISG 504

ATOM 504 CA THR 65 ^■13 .003 1 .195 23 .507 1 .00 0 .22

ISG 505

ATOM 505 CB THR 65 ^■12 .501 0 .234 22 .470 1 .00 0 .22

ISG 506

ATOM 506 OGl THR 65 •13 .536 -0 .656 22 .080 1 .00 0 .22

ISG 507

ATOM 507 CG2 THR 65 11 .318 -0 .550 23 .065 1 .00 0 .22

ISG 508

ATOM 508 C THR 65 11 .910 2 .158 23 .801 1 .00 0 .22

ISG 509

ATOM 509 O THR 65 11 .182 2 .592 22 .909 1 .00 0 .22

ISG 510

ATOM 510 N ILE 66 11 .780 2 .517 25 .089 1 .00 0 .37

ISG 511

ATOM 511 CA ILE 66 10 .825 3 .509 25 .471 1 .00 0 .37

ISG 512

ATOM 512 CB ILE 66 11 .040 4 .077 26 .855 1 .00 0 .37

ISG 513

ATOM 513 CG2 ILE 66 12 .306 4 .944 26 .806 1 .00 0 .37

ISG 514

ATOM 514 CGl ILE 66 11 .071 3 .006 27 .950 1 .00 0 .37

ISG 515

ATOM 515 CDl ILE 66 11 .153 3 .607 29 .355 1 .00 0 .37

ISG 516

ATOM 516 C ILE 66 -9 .408 3 .089 25 .228 1 .00 0 .37

ISG 517

ATOM 517 O ILE 66 -8 .628 3 .928 24 .779 1 .00 0 .37

ISG 518

ATOM 518 N PRO 67 -8 .996 1 .870 25 .443 1 .00 0 .39

ISG 519

ATOM 519 CA PRO 67 - 7 .624 1 .517 25 .207 1 .00 0 .39

ISG 520

ATOM 520 CD PRO 67 -9 .680 0 .901 26 .279 1 .00 0 .39

ISG 521

ATOM 521 CB PRO 67 -7 .449 0 .103 25 .768 1 .00 0 .39

ISG 522

ATOM 522 CG PRO 67 -8 .883 -0 .392 26 .048 1 .00 0 .39

ISG 523

ATOM 523 C PRO 67 -7 .292 1 .657 23 .757 1 .00 0 .39

ISG 524

ATOM 524 O PRO 67 -6 .114 1 .784 23 .428 1 .00 0 .39

ISG 525

ATOM 525 N ARG 68 -8 .299 1 .583 22 .867 1 .00 0 .35

ISG 526

ATOM 526 CA ARG 68 -8 .027 1 .745 21 .470 1 .00 0 .35

ISG 527

ATOM 527 CB ARG 68 -9 .222 1 .376 20 .577 1 .00 0 .35

ISG 528

ATOM 528 CG ARG 68 -9 .483 -0 .131 20 .513 1 .00 0 .35

ISG 529

ATOM 529 CD ARG 68 -8. .874 -0 .807 19 .281 1 .00 0 .35

ISG 530

ATOM 530 NE ARG 68 -η _c ,409 -0 .963 19. .511 1 .00 0 .35

ISG 531 335

ATOM 531 CZ ARG 68 -6 .547 0 .042 19 .176 1.00 0.35

ISG 532

ATOM 532 NHl ARG 68 -7 .028 1 .218 18 .675 1.00 0.35

ISG 533

ATOM 533 NH2 ARG 68 - 5 .203 -0 .129 19 .342 1.00 0.35

ISG 534

ATOM 534 C ARG 68 -7 .657 3 .169 21 .200 1.00 0.35

ISG 535

ATOM 535 O ARG 68 -6 .720 3 .441 20 .456 1.00 0.35

ISG 536

ATOM 536 N GLY 69 -8 .413 4 .130 21 .760 1.00 0.23

ISG 537

ATOM 537 CA GLY 69 -8 .063 5 .509 21 .577 1.00 0.23

ISG 538

ATOM 538 C GLY 69 -9 .333 6 .302 21 .549 1.00 0.23

ISG 539

ATOM 539 O GLY 69 -9 .315 7 .506 21 .294 1.00 0.23

ISG 540

ATOM 540 N ASP 70 10 .477 5 .645 21 .824 1.00 0.14

ISG 541

ATOM 541 CA ASP 70 11 .740 6 .325 21 .771 1.00 0.14

ISG 542

ATOM 542 CB ASP 70 12 .873 5 .421 21 .251 1.00 0.14

ISG 543

ATOM 543 CG ASP 70 14 .128 6 .256 21 .042 1.00 0.14

ISG 544

ATOM 544 ODl ASP 70 14 .128 7 .442 21 .465 1.00 0.14

ISG 545

ATOM 545 OD2 ASP 70 15 .105 5 .715 20 .457 1.00 0.14

ISG 546

ATOM 546 C ASP 70 12 .089 6 .738 23 .167 1.00 0.14

ISG 547

ATOM 547 O ASP 70 12 .584 5 .941 23 .961 1.00 0.14

ISG 548

ATOM 548 N VAL 71 11 .864 8 .027 23 .477 1.00 0.14

ISG 549

ATOM 549 CA VAL 71 12 .054 8 .583 24 .787 1.00 0.14

ISG 550

ATOM 550 CB VAL 71 10 .860 9 .384 25 .248 1.00 0.14

ISG 551

ATOM 551 CGl VAL 71 -9 .664 8 .432 25 .433 1.00 0.14

ISG 552

ATOM 552 CG2 VAL 71 10 .568 10 .494 24 .222 1.00 0.14

ISG 553

ATOM 553 C VAL 71 13 .245 9 .499 24 .767 1.00 0.14

ISG 554

ATOM 554 O VAL 71 13 .263 10 .499 25 .483 1.00 0.14

ISG 555

ATOM 555 N SER 72 14 .244 9 .212 23 .905 1.00 0.13

ISG 556

ATOM 556 CA SER 72 15 .403 10 .056 23 .751 1.00 0.13

ISG 557

ATOM 557 CB SER 72 16 .314 9 .606 22 .597 1.00 0.13

ISG 558

ATOM 558 OG SER 72 15 .596 9 .627 21 .373 1.00 0.13

ISG 559 336

ATOM 559 C SER 72 -16 .249 10 .071 24 .996 1. 00 0 .13

ISG 560

ATOM 560 O SER 72 -16 .507 9 .042 25 .618 1. 00 0 .13

ISG 561

ATOM 561 N LEU 73 -16 .740 11 .275 25 .364 1. 00 0 .24

ISG 562

ATOM 562 CA LEU 73 -17 .543 11 .453 26 .544 1. 00 0 .24

ISG 563

ATOM 563 CB LEU 73 -17 .298 12 .798 27 .250 1. 00 0 .24

ISG 564

ATOM 564 CG LEU 73 -18 .254 13 .059 28 .433 1. 00 0 .24

ISG 565

ATOM 565 CD2 LEU 73 -18 .201 14 .526 28 .885 1. 00 0 .24

ISG 566

ATOM 566 CDl LEU 73 -18 .029 12 .063 29 .581 1. 00 0 .24

ISG 567

ATOM 567 C LEU 73 -18 .989 11 .429 26 .172 1. 00 0 .24

ISG 568

ATOM 568 O LEU 73 -19 .419 12 .075 25 .217 1. 00 0 .24

ISG 569

ATOM 569 N THR 74 -19 .790 10 .652 26 .928 1. 00 0 .47

ISG 570

ATOM 570 CA THR 74 -21 .186 10 .648 26 .621 1. 00 0 .47

ISG 571

ATOM 571 CB THR 74 -21 .686 9 .322 26 .113 1. 00 0 .47

ISG 572

ATOM 572 OGl THR 74 -22 .918 9 .506 25 .439 1. 00 0 .47

ISG 573

ATOM 573 CG2 THR 74 -21 .873 8 .335 27 .277 1. 00 0 .47

ISG 574

ATOM 574 C THR 74 -21 .923 11 .032 27 .867 1. 00 0 .47

ISG 575

ATOM 575 O THR 74 -21 .696 10 .489 28 .946 1. 00 0 .47

ISG 576

ATOM 576 N ILE 75 -22 .812 12 .032 27 .760 1. 00 0 .64

ISG 577

ATOM 577 CA ILE 75 -23 .581 12 .410 28 .906 1. 00 0 .64

ISG 578

ATOM 578 CB ILE 75 -23 .539 13 .877 29 .235 1. 00 0 .64

ISG 579

ATOM 579 CG2 ILE 75 -22 .177 14 .210 29 .841 1. 00 0 .64

ISG 580

ATOM 580 CGl ILE 75 -23 .888 14 .727 28 .022 1. 00 0 .64

ISG 581

ATOM 581 CDl ILE 75 -23 .855 16 .223 28 .322 1. 00 0 .64

ISG 582

ATOM 582 C ILE 75 -24 .975 11 .914 28 .749 1. 00 0 .64

ISG 583

ATOM 583 O ILE 75 -25 .659 12 .209 27 .769 1. 00 0 .64

ISG 584

ATOM 584 N LEU 76 -25 .411 11 .103 29 .738 1. 00 0 .66

ISG 585

ATOM 585 CA LEU 76 -26 .723 10 .528 29 .711 1. 00 0 .66

ISG 586

ATOM 586 CB LEU 76 -26 .918 9 .402 30 .740 1. 00 0 .66

ISG 587 337

ATOM 587 CG LEU 76 -28 .329 8 .785 30 .717 1 .00 0 .66

ISG 588

ATOM 588 CD2 LEU 76 -28 .544 7 .847 31 .916 1 .00 0 .66

ISG 589

ATOM 589 CDl LEU 76 -28 .629 8 .112 29 .368 1 .00 0 .66

ISG 590

ATOM 590 C LEU 76 -27 .717 11 .596 30 .036 1 .00 0 .66

ISG 591

ATOM 591 O LEU 76 -27 .370 12 .570 30 .700 1 .00 0 .66

ISG 592

ATOM 592 N ASN 77 -28 .962 11 .431 29 .524 1 .00 0 .49

ISG 593

ATOM 593 CA ASN 77 -30 .103 12 .276 29 .783 1 .00 0 .49

ISG 594

ATOM 594 CB ASN 77 -30 .826 11 .904 31 .092 1 .00 0 .49

ISG 595

ATOM 595 CG ASN 77 -32 .148 12 .652 31 .157 1 .00 0 .49

ISG 596

ATOM 596 ODl ASN 77 -32 .221 13 .851 30 .892 1 .00 0 .49

ISG 597

ATOM 597 ND2 ASN 77 -33 .235 11 .920 31 .521 1. .00 0 .49

ISG 598

ATOM 598 C ASN 77 -29 .683 13 .711 29. .868 1 .00 0 .49

ISG 599

ATOM 599 O ASN 77 -29. .667 14 .286 30. .953 1. .00 0. .49

ISG 600

ATOM 600 N PRO 78 -29. ,326 14 .298 28. ,767 1. .00 0. .36

ISG 601

ATOM 601 CA PRO 78 -28. .793 15 .629 28. .769 1. , 00 0. .36

ISG 602

ATOM 602 CD PRO 78 -30. 059 14 .080 27. 539 1. 00 0. 36

ISG 603

ATOM 603 CB PRO 78 -28. 566 15 .989 27. 324 1. 00 0. 36

ISG 604

ATOM 604 CG PRO 78 -29. 835 15. ,378 26. 720 1. 00 0. 36

ISG 605

ATOM 605 C PRO 78 -29. 875 16. ,559 29. 202 1. 00 0. 36

ISG 606

ATOM 606 O PRO 78 -31. 050 16. ,199 29. 120 1. 00 0. 36

ISG 607

ATOM 607 N SER 79 -29. 485 17. 766 29. 641 1. 00 0. 38

ISG 608

ATOM 608 CA SER 79 -30. 408 18. 793 29. 984 1. 00 0. 38

ISG 609

ATOM 609 CB SER 79 ^■30. 586 18. 975 31. 501 1. 00 0. 38

ISG 610

ATOM 610 OG SER 79 ^■31. 516 20. 015 31. 762 1. 00 0. 38

ISG 611

ATOM 611 C SER 79 •29. 810 20. 055 29. 454 1. 00 0. 38

ISG 612

ATOM 612 O SER 79 •28. 660 20. 076 29. 016 1. 00 0. 38

ISG 613

ATOM 613 N GLU 80 ^■30. 584 21. 151 29. 500 1. 00 0. 32

ISG 614

ATOM 614 CA GLU 80 30. 149 22. 418 28. 990 1. 00 0. 32

ISG 615 338

ATOM 615 CB GLU 80 -31. , 183 23.535 29. 196 1. 00 0 .32

ISG 616

ATOM 616 CG GLU 80 -32. ,481 23.319 28. 420 1. 00 0 .32

ISG 617

ATOM 617 CD GLU 80 -33. ,340 22.328 29. 193 1. 00 0 .32

ISG 618

ATOM 618 OEl GLU 80 -32. 940 21.947 30. 326 1. 00 0 .32

ISG 619

ATOM 619 OE2 GLU 80 -34. 415 21.944 28. 661 1. 00 0 .32

ISG 620

ATOM 620 C GLU 80 -28. 926 22.825 29. 745 1. 00 0 .32

ISG 621

ATOM 621 O GLU 80 -28. 038 23.480 29. 202 1. 00 0 .32

ISG 622

ATOM 622 N SER 81 -28. 852 22.430 31. 025 1. 00 0 .19

ISG 623

ATOM 623 CA SER 81 -27. 782 22.814 31. 896 1. 00 0 .19

ISG 624

ATOM 624 CB SER 81 -27. 894 22.177 33. 293 1. 00 0 .19

ISG 625

ATOM 625 OG SER 81 -29. 068 22.625 33. 953 1. 00 0 .19

ISG 626

ATOM 626 C SER 81 -26. 474 22.362 31. 328 1. 00 0 .19

ISG 627

ATOM 627 O SER 81 -25. 460 23.022 31. 544 1. 00 0 .19

ISG 628

ATOM 628 N ASP 82 -26. 454 21.201 30. 640 1. 00 0 .21

ISG 629

ATOM 629 CA ASP 82 -25. 240 20.623 30. 126 1. 00 0 .21

ISG 630

ATOM 630 CB ASP 82 -25. 473 19.238 29. 499 1. 00 0 .21

ISG 631

ATOM 631 CG ASP 82 -25. 852 18.259 30. 598 1. 00 0 .21

ISG 632

ATOM 632 ODl ASP 82 -25. 575 18.560 31. 790 1. 00 0 .21

ISG 633

ATOM 633 OD2 ASP 82 ^■26 . 425 17.191 30. 256 1. 00 0 .21

ISG 634

ATOM 634 C ASP 82 ^■24 . 616 21.462 29. 051 1. 00 0 .21

ISG 635

ATOM 635 O ASP 82 •23. 508 21.162 28. 605 1. 00 0 .21

ISG 636

ATOM 636 N SER 83 ^■25 . 261 22.568 28. 641 1. 00 0 .26

ISG 637

ATOM 637 CA SER 83 24. 703 23.342 27. 572 1. 00 0 .26

ISG 638

ATOM 638 CB SER 83 25. 699 24.373 27. 015 1. 00 0 .26

ISG 639

ATOM 639 OG SER 83 25. 107 25.102 25. 954 1. 00 0 .26

ISG 640

ATOM 640 C SER 83 23. 513 24.072 28. 110 1. 00 0 .26

ISG 641

ATOM 641 O SER 83 23. 493 24.472 29. 272 1. 00 0 .26

ISG 642

ATOM 642 N GLY 84 22. 467 24.251 27. 275 1. 00 0 .27

ISG 643 339

ATOM 643 CA GLY 84 -21 .305 24 .959 27 .734 1 .00 0 .27

ISG 644

ATOM 644 C GLY 84 -20 .113 24 .410 27 .015 1 .00 0 .27

ISG 645

ATOM 645 O GLY 84 -20 .244 23 .622 26 .080 1 .00 0 .27

ISG 646

ATOM 646 N VAL 85 -18 .899 24 .813 27 .443 1 .00 0 .33

ISG 647

ATOM 647 CA VAL 85 -17 .731 24 .319 26 .778 1 .00 0 .33

ISG 648

ATOM 648 CB VAL 85 -16 .686 25 .362 26 .494 1 .00 0 .33

ISG 649

ATOM 649 CGl VAL 85 -17 .240 26 .305 25 .411 1 .00 0 .33

ISG 650

ATOM 650 CG2 VAL 85 -16 .321 26 .086 27 .800 1 .00 0 .33

ISG 651

ATOM 651 C VAL 85 -17 .138 23 .216 27 .593 1 .00 0 .33

ISG 652

ATOM 652 O VAL 85 -17 .205 23 .224 28 .821 1 .00 0 .33

ISG 653

ATOM 653 N TYR 86 -16 .573 22 .208 26 .897 1 .00 0 .43

ISG 654

ATOM 654 CA TYR 86 -15 .988 21 .063 27 .535 1. .00 0 .43

ISG 655

ATOM 655 CB TYR 86 -16 .734 19 .743 27 .237 1 .00 0 .43

ISG 656

ATOM 656 CG TYR 86 -18 .011 19 .655 28 , .013 1. .00 0 .43

ISG 657

ATOM 657 CDl TYR 86 -19 .076 20, .492 27 , ,767 1. , 00 0 , ,43

ISG 658

ATOM 658 CD2 TYR 86 -18 .151 18. , 684 28. , 981 1. ,00 0. .43

ISG 659

ATOM 659 CEl TYR 86 -20. .243 20. .375 28. 492 1. 00 0. ,43

ISG 660

ATOM 660 CE2 TYR 86 -19. .312 18. 560 29. 708 1. 00 0. 43

ISG 661

ATOM 661 CZ TYR 86 -20. ,361 19. 412 29. 467 1. 00 0. 43

ISG 662

ATOM 662 OH TYR 86 ^■21. 554 19. 290 30. 210 1. 00 0. 43

ISG 663

ATOM 663 C TYR 86 ^■14 . 602 20. 884 27. 007 1. 00 0. 43

ISG 664

ATOM 664 O TYR 86 ^■14 . 299 21. 272 25. 878 1. 00 0. 43

ISG 665

ATOM 665 N CYS 87 ^■13 . 705 20. 301 27. 823 1. 00 0. 50

ISG 666

ATOM 666 CA CYS 87 ^■12 . 386 20. 083 27. 318 1. 00 0. 50

ISG 667

ATOM 667 CB CYS 87 11. 285 20. 892 27. 991 1. 00 0. 50

ISG 668

ATOM 668 SG CYS 87 -9. 710 20. 467 27. 215 1. 00 0. 50

ISG 669

ATOM 669 C CYS 87 12. 006 18. 644 27. 449 1. 00 0. 50

ISG 670

ATOM 670 O CYS 87 12. 274 17. 986 28. 455 1. 00 0. 50

ISG 671 340

ATOM 671 N CYS 88 11 .371 18 .125 26. 383 1 .00 0 .32

ISG 672

ATOM 672 CA CYS 88 10 .853 16 .791 26. 337 1 .00 0 .32

ISG 673

ATOM 673 CB CYS 88 11 .395 15 .985 25. 133 1 .00 0 .32

ISG 674

ATOM 674 SG CYS 88 10 .753 14 .286 25. 006 1 .00 0 .32

ISG 675

ATOM 675 C CYS 88 -9 .381 16 .963 26. 130 1 .00 0 .32

ISG 676

ATOM 676 O CYS 88 -8 .959 17 .498 25. 106 1 .00 0 .32

ISG 677

ATOM 677 N ARG 89 -8 .557 16 .527 27. 103 1 .00 0 .31

ISG 678

ATOM 678 CA ARG 89 -7 .136 16 .697 26. 964 1 .00 0 .31

ISG 679

ATOM 679 CB ARG 89 -6 .492 17 .509 28. 098 1 .00 0 .31

ISG 680

ATOM 680 CG ARG 89 -4 .973 17 .620 27. 949 1 .00 0 .31

ISG 681

ATOM 681 CD ARG 89 -4 .253 18 .081 29. 217 1 .00 0 .31

ISG 682

ATOM 682 NE ARG 89 -4 .578 19 .518 29. 435 1. .00 0 .31

ISG 683

ATOM 683 CZ ARG 89 -3 , .744 20 .497 28. 970 1 , .00 0 .31

ISG 684

ATOM 684 NHl ARG 89 -2. , 625 20 .160 28. 263 1. .00 0 .31

ISG 685

ATOM 685 NH2 ARG 89 -4. ,012 21 .806 29. 246 1. 00 0 .31

ISG 686

ATOM 686 C ARG 89 -6. 478 15 .351 27. 005 1. 00 0 .31

ISG 687

ATOM 687 O ARG 89 -6. 773 14 .538 27. 880 1. 00 0 .31

ISG 688

ATOM 688 N ILE 90 -5. 557 15 .081 26. 052 1. 00 0 .48

ISG 689

ATOM 689 CA ILE 90 -4. 859 13 .824 26. 066 1. 00 0 .48

ISG 690

ATOM 690 CB ILE 90 -5. 148 12 .948 24. 866 1. 00 0 .48

ISG 691

ATOM 691 CG2 ILE 90 -6. 630 12 .546 24. 957 1. 00 0 .48

ISG 692

ATOM 692 CGl ILE 90 -4. 765 13 .591 23. 517 1. 00 0 .48

ISG 693

ATOM 693 CDl ILE 90 -3. 292 13 .466 23. 128 1. 00 0 .48

ISG 694

ATOM 694 C ILE 90 -3. 383 14 .053 26. 248 1. 00 0 .48

ISG 695

ATOM 695 O ILE 90 -2. 727 14 .744 25. 471 1. 00 0 .48

ISG 696

ATOM 696 N GLU 91 -2. 815 13 .444 27. 308 1. 00 0 .41

ISG 697

ATOM 697 CA GLU 91 -1. 435 13 .648 27. 660 1. 00 0 .41

ISG 698

ATOM 698 CB GLU 91 -1. 142 13 .213 29. 107 1. 00 0 .41

ISG 699 341

ATOM 699 CG GLU 91 -1 .913 14 .022 30 .151 1 .00 0. ,41

ISG 700

ATOM 700 CD GLU 91 -1 .581 13 .472 31 .531 1 .00 0. 41

ISG 701

ATOM 701 OEl GLU 91 -1 .301 12 .249 31 .638 1 .00 0. 41

ISG 702

ATOM 702 OE2 GLU 91 -1 .609 14 .276 32 .502 1 .00 0. 41

ISG 703

ATOM 703 C GLU 91 -0 .579 12 .796 26 .772 1 .00 0. 41

ISG 704

ATOM 704 O GLU 91 -0 .226 11 .673 27 .125 1 .00 0. 41

ISG 705

ATOM 705 N VAL 92 -0 .201 13 .340 25 .600 1 .00 0. 34

ISG 706

ATOM 706 CA VAL 92 0 .598 12 .691 24 .601 1 .00 0. 34

ISG 707

ATOM 707 CB VAL 92 0 .334 13 .313 23 .253 1 .00 0. 34

ISG 708

ATOM 708 CGl VAL 92 0 .929 14 .731 23 .259 1 .00 0. 34

ISG 709

ATOM 709 CG2 VAL 92 0 .825 12 .408 22 .114 1 .00 0. 34

ISG 710

ATOM 710 C VAL 92 2 .044 12 .897 24 .965 1 .00 0. 34

ISG 711

ATOM 711 O VAL 92 2 .360 13 .720 25 .826 1 .00 0. 34

ISG 712

ATOM 712 N PRO 93 2 .945 12 .184 24 .333 1 .00 0. 24

ISG 713

ATOM 713 CA PRO 93 4 .332 12 .361 24 .665 1 .00 0. 24

ISG 714

ATOM 714 CD PRO 93 2. .677 10 .823 23 .892 1 .00 0. 24

ISG 715

ATOM 715 CB PRO 93 5. .076 11 .252 23 .930 1 .00 0. 24

ISG 716

ATOM 716 CG PRO 93 4. , 042 10 .112 23 .877 1 .00 0. 24

ISG 717

ATOM 717 C PRO 93 4. 789 13 .743 24 .336 1 .00 0. 24

ISG 718

ATOM 718 O PRO 93 4. 210 14 .376 23 .455 1 .00 0. 24

ISG 719

ATOM 719 N GLY 94 5. 830 14 .230 25 .034 1 .00 0. 12

ISG 720

ATOM 720 CA GLY 94 6. 290 15 .567 24 .798 1 .00 0. 12

ISG 721

ATOM 721 C GLY 94 6. 099 16 .345 26 .056 1 .00 0. 12

ISG 722

ATOM 722 O GLY 94 5. 246 16 .026 26 .883 1 .00 0. 12

ISG 723

ATOM 723 N TRP 95 6. 911 17 .404 26 .226 1 .00 0. 14

ISG 724

ATOM 724 CA TRP 95 6. 828 18 .165 27 .430 1 .00 0. 14

ISG 725

ATOM 725 CB TRP 95 8. 162 18 .838 27 .807 1 .00 0. 14

ISG 726

ATOM 726 CG TRP 95 8. 177 19 .476 29 .173 1 .00 0. 14

ISG 727 342

ATOM 727 CD2 TRP 95 8 ! .335 18 .717 30 .379 1 .00 0 .14

ISG 728

ATOM 728 CDl TRP 95 8i.040 20 .781 29 .549 1 .00 0 .14

ISG 729

ATOM 729 NEl TRP 95 8 .111 20 .882 30 .919 1 .00 0 .14

ISG 730

ATOM 730 CE2 TRP 95 8 .290 19 .617 31 .442 1 .00 0 .14

ISG 731

ATOM 731 CE3 TRP 95 8 .502 17 .376 30 .581 1 .00 0 .14

ISG 732

ATOM 732 CZ2 TRP 95 8 .412 19 .186 32 .732 1 .00 0 .14

ISG 733

ATOM 733 CZ3 TRP 95 8 .628 16 .944 31 .881 1 .00 0 .14 en

ISG 734

ATOM 734 CH2 TRP 95 8 .583 17 .833 32 .935 1 .00 0 .14

ISG 735

ATOM 735 C TRP 95 5 .803 19 .229 27 .221 1 .00 0 .14

ISG 736

ATOM 736 O TRP 95 .932 20 .077 26 .340 1 .00 0 .14

ISG 737

ATOM 737 N PHE 96 4 .731 19 .181 28 .034 1 .00 0 .29

ISG 738

ATOM 738 CA PHE 96 3 .698 20 .173 27 .991 1 .00 0 .29

ISG 739

ATOM 739 CB PHE 96 4 .215 21 .542 28 .479 1 , .00 0 .29

ISG 740

ATOM 740 CG PHE 96 3 .077 22 .472 28 .732 1. .00 0 .29

ISG 741

ATOM 741 CDl PHE 96 2 .284 22 .297 29 .843 1. , 00 0 .29

ISG 742

ATOM 742 CD2 PHE 96 2 .824 23 .533 27 .891 1. 00 0 .29

ISG 743

ATOM 743 CEl PHE 96 1 .238 23 .150 30 .102 1. 00 0 .29

ISG 744

ATOM 744 CE2 PHE 96 1 .779 24 .390 28 .146 1. 00 0 .29

ISG 745

ATOM 745 CZ PHE 96 0 .983 24 .197 29 .250 1. 00 0 .29

ISG 746

ATOM 746 C PHE 96 3 .202 20 .305 26 .584 1. 00 0 .29

ISG 747

ATOM 747 O PHE 96 3 .073 21 .415 26 .070 1. 00 0 .29

ISG 748

ATOM 748 N ASN 97 2 .909 19 .171 25 .915 1. 00 0 .39

ISG 749

ATOM 749 CA ASN 97 2 .400 19 .278 24 .576 1. 00 0 .39

ISG 750

ATOM 750 CB ASN 97 3 .431 18 .937 23 .476 1. 00 0 .39

ISG 751

ATOM 751 CG ASN 97 3 .883 17 .485 23 .567 1. 00 0 .39

ISG 752

ATOM 752 ODl ASN 97 4 .490 16 .969 22 .631 1. 00 0 .39

ISG 753

ATOM 753 ND2 ASN 97 3 .584 16 .806 24 .705 1. 00 0 .39

ISG 754

ATOM 754 C ASN 97 1 .202 18 .385 24 .440 1. 00 0 .39

ISG 755 343

ATOM 755 O ASN 97 1 .143 17 .517 23 .572 1 .00 0 .39

ISG 756

ATOM 756 N ASP 98 0 .187 18 .608 25 .300 1 .00 0 .26

ISG 757

ATOM 757 CA ASP 98 -0 .989 17 .781 25 .314 1 .00 0 .26

ISG 758

ATOM 758 CB ASP 98 -1 .778 17 .854 26 .630 1 .00 0 .26

ISG 759

ATOM 759 CG ASP 98 -0 .976 17 .137 27 .707 1 .00 0 .26

ISG 760

ATOM 760 ODl ASP 98 -0 .142 16 .263 27 .344 1 .00 0 .26

ISG 761

ATOM 761 OD2 ASP 98 -1 .187 17 .453 28 .908 1 .00 0 .26

ISG 762

ATOM 762 C ASP 98 -1 .929 18 .141 24 .203 1 .00 0 .26

ISG 763

ATOM 763 O ASP 98 -2 .012 19 .291 23 .771 1 .00 0 .26

ISG 764

ATOM 764 N VAL 99 -2 .679 17 .129 23 .714 1 .00 0 .23

ISG 765

ATOM 765 CA VAL 99 -3 .642 17 .364 22 .677 1 .00 0 .23

ISG 766

ATOM 766 CB VAL 99 - 3 .967 16 .157 21 .840 1 .00 0 .23

ISG 767

ATOM 767 CGl VAL 99 -5 .148 16 .504 20 .914 1 .00 0 .23

ISG 768

ATOM 768 CG2 VAL 99 -2 .703 15 .733 21 .075 1 .00 0 .23

ISG 769

ATOM 769 C VAL 99 -4 .899 17 .783 23 .358 1 .00 0 .23

ISG 770

ATOM 770 O VAL 99 -5 .506 17 .013 24 .102 1 .00 0 .23

ISG 771

ATOM 771 N LYS 100 -5 .322 19 .037 23 .115 1 .00 0 .43

ISG 772

ATOM 772 CA LYS 100 -6 .486 19 .522 23 .789 1 .00 0 .43

ISG 773

ATOM 773 CB LYS 100 -6 .237 20 .813 24 .588 1 .00 0 .43

ISG 774

ATOM 774 CG LYS 100 .204 20 .655 25 .704 1 .00 0 .43

ISG 775

ATOM 775 CD LYS 100 -4 .823 21 .972 26 .388 1 .00 0 .43

ISG 776

ATOM 776 CE LYS 100 -3 .772 22 .799 25 .644 1 .00 0 .43

ISG 777

ATOM 777 NZ LYS 100 -4 .350 23 .356 24 .404 1 .00 0 .43

ISG 778

ATOM 778 C LYS 100 -7 .533 19 .840 22 .776 1 .00 0 .43

ISG 779

ATOM 779 O LYS 100 - 7 .232 20 .285 21 .669 1 .00 0 .43

ISG 780

ATOM 780 N ILE 101 -8 .805 19 .567 23 .131 1 .00 0 .44

ISG 781

ATOM 781 CA ILE 101 -9 .887 19 .932 22 .269 1 .00 0 .44

ISG 782

ATOM 782 CB ILE 101 10 .453 18 .797 21 .455 1 .00 0 .44

ISG 783 344

ATOM 783 CG2 ILE 101 -9 .342 18 .299 20 .514 1 .00 0 .44

ISG 784

ATOM 784 CGl ILE 101 -11 .057 17 .699 22 .344 1 .00 0 .44

ISG 785

ATOM 785 CDl ILE 101 -11 .891 16 .683 21 .562 1 .00 0 .44

ISG 786

ATOM 786 C ILE 101 -10 .972 20 .503 23 .129 1 .00 0 .44

ISG 787

ATOM 787 O ILE 101 -11 .410 19 .878 24 .095 1 .00 0 .44

ISG 788

ATOM 788 N ASN 102 -11 .422 21 .732 22 .799 1 .00 0 .34

ISG 789

ATOM 789 CA ASN 102 -12 .476 22 .361 23 .544 1 .00 0 .34

ISG 790

ATOM 790 CB ASN 102 -12 .272 23 .861 23 .835 1 .00 0 .34

ISG 791

ATOM 791 CG ASN 102 -11 .388 24 .023 25 .063 1 .00 0 .34

ISG 792

ATOM 792 ODl ASN 102 -11 .511 23 .272 26 .029 1 .00 0 .34

ISG 793

ATOM 793 ND2 ASN 102 -10 .484 25 .039 25 .038 1 .00 0 .34

ISG 794

ATOM 794 C ASN 102 -13 .722 22 .246 22 .731 1 .00 0 .34

ISG 795

ATOM 795 O ASN 102 -13 .710 22 .445 21 .518 1 .00 0 .34

ISG 796

ATOM 796 N VAL 103 -14 .843 21 .909 23 .396 1, .00 0 .54

ISG 797

ATOM 797 CA VAL 103 -16. .071 21, .738 22 .680 1. , 00 0 .54

ISG 798

ATOM 798 CB VAL 103 -16, .695 20. ,387 22, .885 1. ,00 0. .54

ISG 799

ATOM 799 CGl VAL 103 -17 , .137 20. .280 24 , .354 1. 00 0. ,54

ISG 800

ATOM 800 CG2 VAL 103 -17. , 854 20. 211 21. ,891 1. 00 0. ,54

ISG 801

ATOM 801 C VAL 103 -17. 061 22. 740 23. 175 1. 00 0. 54

ISG 802

ATOM 802 O VAL 103 ^■16 . 964 23. 228 24. 300 1. 00 0. 54

ISG 803

ATOM 803 N ARG 104 ^■18 . 011 23. 114 22. 292 1. 00 0. 65

ISG 804

ATOM 804 CA ARG 104 ^■19. 101 23. 956 22. 683 1. 00 0. 65

ISG 805

ATOM 805 CB ARG 104 •19. 211 25. 287 21. 907 1. 00 0. 65

ISG 806

ATOM 806 CG ARG 104 ^■19. 347 25. 154 20. 390 1. 00 0. 65

ISG 807

ATOM 807 CD ARG 104 19. 501 26. 503 19. 677 1. 00 0. 65

ISG 808

ATOM 808 NE ARG 104 18. 399 27. 395 20. 141 1. 00 0. 65

ISG 809

ATOM 809 CZ ARG 104 18. 129 28. 563 19. 486 1. 00 0. 65

ISG 810

ATOM 810 NHl ARG 104 18. 851 28. 917 18. 383 1. 00 0. 65

ISG 811 345

ATOM 811 NH2 ARG 104 -17 .129 29 .376 19 .935 1 .00 0 .65

ISG 812

ATOM 812 C ARG 104 -20 .340 23 .151 22 .450 1 .00 0 .65

ISG 813

ATOM 813 O ARG 104 -20 .788 22 .970 21 .319 1 .00 0 .65

ISG 814

ATOM 814 N LEU 105 -20 .925 22 .642 23 .547 1 .00 0 .41

ISG 815

ATOM 815 CA LEU 105 -22 .091 21 .807 23 .479 1 .00 0 .41

ISG 816

ATOM 816 CB LEU 105 -22 .045 20 .664 24 .514 1 .00 0 .41

ISG 817

ATOM 817 CG LEU 105 -23 .340 19 .840 24 .673 1 .00 0 .41

ISG 818

ATOM 818 CD2 LEU 105 -23 .228 18 .894 25 .880 1 .00 0 .41

ISG 819

ATOM 819 CDl LEU 105 -23 .734 19 .099 23 .385 1 .00 0 .41

ISG 820

ATOM 820 C LEU 105 -23 .295 22 .644 23 .772 1 .00 0 .41

ISG 821

ATOM 821 O LEU 105 -23 .314 23 .411 24 .733 1 .00 0 .41

ISG 822

ATOM 822 N ASN 106 -24 .334 22 .532 22 .916 1. .00 0 .36

ISG 823

ATOM 823 CA ASN 106 -25. .548 23. .264 23 .144 1. .00 ^■ 0 .36

ISG 824

ATOM 824 CB ASN 106 -25. .874 24. .272 22. .027 1. , 00 0 , .36

ISG 825

ATOM 825 CG ASN 106 -27 , .005 25. .177 22. .503 1. 00 0 , .36

ISG 826

ATOM 826 ODl ASN 106 -28. .091 24. 720 22. , 855 1. 00 0. ,36

ISG 827

ATOM 827 ND2 ASN 106 -26. 737 26. 511 22. .521 1. 00 0. 36

ISG 828

ATOM 828 C ASN 106 -26. 667 22. 272 23. 199 1. 00 0. 36

ISG 829

ATOM 829 O ASN 106 -26. 834 21. 461 22. 288 1. 00 0. 36

ISG 830

ATOM 830 N LEU 107 -27. 472 22. 317 24. 281 1. 00 0. 54

ISG 831

ATOM 831 CA LEU 107 -28. 539 21. 363 24. 447 1. 00 0. 54

ISG 832

ATOM 832 CB LEU 107 ^■28 . 433 20. 580 25. 111 1. 00 0. 54

ISG 833

ATOM 833 CG LEU 107 ^■29. 541 19. 533 26. 025 1. 00 0. 54

ISG 834

ATOM 834 CD2 LEU 107 ^■29 . 657 18. 567 24. 835 1. 00 0. 54

ISG 835

ATOM 835 CDl LEU 107 ^■30 . 889 20. 165 26. 410 1. 00 0. 54

ISG 836

ATOM 836 C LEU 107 ^■29. 820 22. 120 24. 495 1. 00 0. 54

ISG 837

ATOM 837 O LEU 107 ^■30 . 034 22. 915 25. 408 1. 00 0. 54

ISG 838

ATOM 838 N GLN 108 30. 728 21. 856 23. 533 1. 00 0. 66

ISG 839 346

ATOM 839 CA GLN 108 -31 .974 22 .557 23 .509 1. 00 0 .66

ISG 840

ATOM 840 CB GLN 108 -32 .146 23 .424 22 .245 1. 00 0 .66

ISG 841

ATOM 841 CG GLN 108 -33 .314 24 .414 22 .300 1. 00 0 .66

ISG 842

ATOM 842 CD GLN 108 -34 .550 23 .761 21 .703 1. 00 0 .66

ISG 843

ATOM 843 OEl GLN 108 -35 .593 23 .662 22 .349 1. 00 0 .66

ISG 844

ATOM 844 NE2 GLN 108 -34 .438 23 .315 20 .423 1. 00 0 .66

ISG 845

ATOM 845 C GLN 108 -33 .070 21 .540 23 .554 1. 00 0 .66

ISG 846

ATOM 846 O GLN 108 -32 .845 20 .356 23 .312 1. 00 0 .66

ISG 847

ATOM 847 N ARG 109 -34 .295 21 .987 23 .892 1. 00 0 .56

ISG 848

ATOM 848 CA ARG 109 -35 .403 21 .088 24 .013 1. 00 0 .56

ISG 849

ATOM 849 CB ARG 109 -36 .694 21 .745 24 .542 1. 00 0 .56

ISG 850

ATOM 850 CG ARG 109 -36 .655 22 .205 26 .008 1. 00 0 .56

ISG 851

ATOM 851 CD ARG 109 -36 .035 23 .587 26 .258 1. 00 0 .56

ISG 852

ATOM 852 NE ARG 109 -34 .552 23 .476 26 .173 1. 00 0 .56

ISG 853

ATOM 853 CZ ARG 109 •33 .801 24 .590 25 .930 1. 00 0 .56

ISG 854

ATOM 854 NHl ARG 109 ^■34 .405 25 .807 25 .803 1. 00 0 .56

ISG 855

ATOM 855 NH2 ARG 109 •32 .445 24 .491 25 .804 1. 00 0 .56

ISG 856

ATOM 856 C ARG 109 ^■35 .696 20 .532 22 .659 1. 00 0 .56

ISG 857

ATOM 857 O ARG 109 •35 .422 21 .161 21 .639 1. 00 0 .56

ISG 858

ATOM 858 N ALA 110 •36 .257 19 .309 22 .619 1. 00 0 .29

ISG 859

ATOM 859 CA ALA 110 36 .547 18 .689 21 .362 1. 00 0 .29

ISG 860

ATOM 860 CB ALA 110 37 .146 17 .279 21 .505 1. 00 0 .29

ISG 861

ATOM 861 C ALA 110 37 .564 19 .555 20 .635 1. 00 0 .29

ISG 862

ATOM 862 O ALA 110 37 .821 19 .277 19 .433 1. 00 0 .29

ISG 863

ATOM 863 OXT ALA 110 38 .096 20 .504 21 .269 1. 00 0 .29

ISG 864

END 347

Tim4 tar

REMARK Written by O version 6. 2.1

REMARK Thu ! 3ep 7 15 :32 :15 2006

CRYSTl 67 .770 67 .770 129. 090 90.00 90.00 120.00

ORIGXl 1.000000 0 .000000 0. 000000 0. 00000

ORIGX2 0.000000 1 .000000 0. 000000 0. 00000

ORIGX3 0.000000 0 .000000 1. 000000 0. 00000

SCALEl 0.014756 0 .008519 -0. 000001 0. 00000

SCALE2 0.000000 0 .017038 -0. 000001 0. 00000

SCALE3 0.000000 0 .000000 0. 007747 0. 00000

ATOM 1 CB MET 1 -12 .331 11 .518 23 .674 1 .00 15 .00 6

ATOM 2 CG MET 1 -12 .365 12 .660 24 .692 1 .00 15 .00 6

ATOM 3 SD MET 1 -14 .017 13 .091 25 .312 1 .00 15 .00 16

ATOM 4 CE MET 1 -13 .401 14 .243 26 .573 1 .00 15 .00 6

ATOM 5 C MET 1 -12 .567 9 .104 23 .260 1 .00 15 .00 6

ATOM 6 O MET 1 -11 .414 8 .841 22 .919 1 .00 15 .00 8

ATOM 7 N MET 1 -12 .046 9 .838 25 .468 1 .00 15 .00 7

ATOM 8 CA MET 1 -12 .828 10 .181 24 .256 1 .00 15 .00 6

ATOM 9 N SER 2 -13 .627 8 .432 22 .778 1 .00 15 .00 7

ATOM 10 CA SER 2 -13 .378 7 .386 21 .836 1 .00 15 .00 6

ATOM 11 CB SER 2 -13 .785 5 .988 22 .327 1 .00 15 .00 6

ATOM 12 OG SER 2 -12 .993 5 .623 23 .448 1 .00 15 .00 8

ATOM 13 C SER 2 -14 .172 7 .676 20 .611 1 .00 15 .00 6

ATOM 14 O SER 2 -15 .254 8 .260 20 .670 1 .00 15 .00 8

ATOM 15 N GLU 3 -15 .620 6 .458 18 .478 1 .00 15 .00 7

ATOM 16 CA GLU 3 -14 .761 6 .443 17 .285 1 .00 15 .00 6

ATOM 17 CB GLU 3 -14 .035 7 .781 17 .147 1 .00 15 .00 6

ATOM 18 CG GLU 3 -14 .981 8 .982 17 .196 1 .00 15 .00 6

ATOM 19 CD GLU 3 -14 .246 10 .315 17 .345 1 .00 15 .00 6

ATOM 20 OEl GLU 3 -13 .329 10 .449 18 .242 1 .00 15 .00 8

ATOM 21 OE2 GLU 3 -14 .544 11 .305 16 .573 1 .00 15 .00 8

ATOM 22 C GLU 3 -13 .726 5 .320 17 .400 1 .00 15 .00 6

ATOM 23 O GLU 3 -13 .833 5 .161 18 .821 1 .00 15 .00 8

ATOM 24 N ASP 4 -14 .180 4 .356 16 .888 1 .00 56 .13 7

ATOM 25 CA ASP 4 -14 .336 3 .666 15 .609 1 .00 55 .69 6

ATOM 26 CB ASP 4 -15 .803 3 .300 15 .370 1 .00 57 .62 6

ATOM 27 CG ASP 4 -16 .510 2 .855 16 .632 1 .00 59 .75 6

ATOM 28 ODl ASP 4 -17 .060 3 .724 17 .342 1 .00 61 .05 8

ATOM 29 OD2 ASP 4 -16 .515 1 .637 16 .914 1 .00 61 .58 8

ATOM 30 C ASP 4 -13 .857 4 .552 14 .467 1 .00 54 .25 6

ATOM 31 O ASP 4 -14 .249 5 .717 14 .371 1 .00 53 .72 8

ATOM 32 N THR 5 -13 .000 3 .803 13 .646 1 .00 51 .39 7

ATOM 33 CA THR 5 -12 .651 4 .400 12 .364 1 .00 49 .36 6

ATOM 34 CB THR 5 -11 .171 4 .804 12 .296 1 .00 49 .32 6

ATOM 35 OGl THR 5 -10 .879 5 .732 13 .345 1 .00 52 .42 8

ATOM 36 CG2 THR 5 -10 .867 5 .459 10 .964 1 .00 48 .65 6

ATOM 37 C THR 5 -12 .921 3 .416 11 .239 1 .00 47 .22 6

ATOM 38 O THR 5 -12 .421 2 .291 11 .251 1 .00 47 .35 8

ATOM 39 N ILE 6 -13 .713 3 .846 10 .267 1 .00 43 .94 7

ATOM 40 CA ILE 6 -14 .043 3 .004 9 .131 1 .00 41 .60 6

ATOM 41 CB ILE 6 -15 .548 3 .092 8 .799 1 .00 40 .33 6

ATOM 42 CG2 ILE 6 -15 .851 2 .299 7 .543 1 .00 40 .13 6

ATOM 43 CGl ILE 6 -16 .375 2 .578 9 .983 1 .00 38 .33 6

ATOM 44 CDl ILE 6 -16 .179 1 .104 10 .285 1 .00 37 .42 6

ATOM 45 C ILE 6 -13 .232 3 .467 7 .930 1 .00 40 .77 6

ATOM 46 O ILE 6 -13 .126 4 .663 7 .670 1 .00 41 .00 8 348

ATOM 47 N ILE 7 -12 .651 2 .519 7 .206 1. 00 40 .93 7

ATOM 48 CA ILE 7 -11 .857 2 .850 6 .028 1. 00 40 .45 6

ATOM 49 CB ILE 7 -10 .500 2 .130 6 .037 1. 00 41 .46 6

ATOM 50 CG2 ILE 7 -9 .662 2 .611 4 .861 1. 00 41 .58 6

ATOM 51 CGl ILE 7 -9 .769 2 .392 7 .356 1. 00 43 .23 6

ATOM 52 CDl ILE 7 -9 .399 3 .841 7 .579 1. 00 44 .52 6

ATOM 53 C ILE 7 -12 .597 2 .426 4 .769 1. 00 39 .57 6

ATOM 54 O ILE 7 -12 .925 1 .251 4 .602 1. 00 38 .47 8

ATOM 55 N GLY 8 -12 .844 3 .384 3 .882 1. 00 39 .11 7

ATOM 56 CA GLY 8 -13 .548 3 .087 2 .649 1. 00 38 .96 6

ATOM 57 C GLY 8 -12 .845 3 .590 1 .403 1. 00 39 .17 6

ATOM 58 O GLY 8 -11 .792 4 .229 1 .475 1. 00 38 .03 8

ATOM 59 N PHE 9 -13 .451 3 .308 0 .255 1. 00 39 .40 7

ATOM 60 CA PHE 9 -12 .911 3 .703 - 1 .039 1. 00 39 .14 6

ATOM 61 CB PHE 9 -12 .881 2 .488 -1 .968 1. 00 43 .72 6

ATOM 62 CG PHE 9 -11 .613 1 .691 - 1 .897 1. 00 47 .28 6

ATOM 63 CDl PHE 9 -10 .370 2 .303 -2 .028 1. 00 48 .97 6

ATOM 64 CD2 PHE 9 -11 .664 0 .320 -1 .680 1. 00 49 .21 6

ATOM 65 CEl PHE 9 -9 .199 1 .559 -1 .945 1. 00 49 .60 6

ATOM 66 CE2 PHE 9 -10 .500 -0 .428 -1 .593 1. 00 50 .63 6

ATOM 67 CZ PHE 9 -9 .265 0 .193 -1 .727 1. 00 50 .24 6

ATOM 68 C PHE 9 -13 .692 4 .815 -1 .720 1. 00 37 .73 6

ATOM 69 O PHE 9 -14 .914 4 .737 _ "L .858 1. 00 36 .66 8

ATOM 70 N LEU 10 -12 .974 5 .842 -2 .160 1. 00 35 .44 7

ATOM 71 CA LEU 10 -13 .582 6 .964 -2 .863 1. 00 34 .60 6

ATOM 72 CB LEU 10 -12 .491 7 .906 -3 .370 1. 00 36 .73 6

ATOM 73 CG LEU 10 -12 .440 9 .356 -2 .893 1. 00 38 .40 6

ATOM 74 CDl LEU 10 -12 .662 9 .437 -1 .398 1. 00 39 .90 6

ATOM 75 CD2 LEU 10 -11 .089 9 .942 -3 .269 1. 00 38 .72 6

ATOM 76 C LEU 10 -14 .331 6 .381 -4 .050 1. 00 33 .79 6

ATOM 77 O LEU 10 -13 .865 5 .425 -4 .662 1. 00 32 .44 8

ATOM 78 N GLY 11 -15 .486 6 .951 -4 .376 1. 00 32 .33 7

ATOM 79 CA GLY 11 -16 .253 6 .451 -5 .502 1. 00 31 .25 6

ATOM 80 C GLY 11 -17 .014 5 .170 -5 .209 1. 00 31 .17 6

ATOM 81 O GLY 11 -17 .777 4 .697 -6 .047 1. 00 30 .04 8

ATOM 82 N GLN 12 -16 .800 4 .601 -4 .026 1. 00 30 .33 7

ATOM 83 CA GLN 12 -17 .479 3 .373 -3 .617 1. 00 28 .15 6

ATOM 84 CB GLN 12 -16 .451 2 .278 - 3 .308 1. 00 28 .06 6

ATOM 85 CG GLN 12 -15 .931 1 .521 -4 .525 1. 00 27 .70 6

ATOM 86 CD GLN 12 -16 .972 0 .581 -5 .098 1. 00 26 .57 6

ATOM 87 OEl GLN 12 -17 .483 -0 .293 -4 .397 1. 00 24 .19 8

ATOM 88 NE2 GLN 12 -17 .293 0 .755 -6 .373 1. 00 26 .47 7

ATOM 89 C GLN 12 -18 .315 3 .643 -2 .369 1. 00 27 .67 6

ATOM 90 O GLN 12 -18 .077 4 .616 -1 .658 1. 00 26 .62 8

ATOM 91 N PRO 13 -19 .308 2 .779 -2 .085 1. 00 27 .01 7

ATOM 92 CD PRO 13 -19 .772 1 .613 - 2 .863 1. 00 25 .62 6

ATOM 93 CA PRO 13 -20 .150 2 .969 -0 .902 1. 00 25 .82 6

ATOM 94 CB PRO 13 -21 .356 2 .090 -1 .204 1. 00 25 .18 6

ATOM 95 CG PRO 13 -20 .704 0 .920 -1 .884 1. 00 26 .56 6

ATOM 96 C PRO 13 -19 .416 2 .489 0 .347 1. 00 25 .74 6

ATOM 97 O PRO 13 -18 .412 1 .785 0 .248 1. 00 22 .02 8

ATOM 98 N VAL 14 -19 .919 2 .884 1 .514 1. 00 25 .62 7

ATOM 99 CA VAL 14 -19 .353 2 .460 2 .791 1. 00 26 .67 6

ATOM 100 CB VAL 14 -18 .379 3 .514 3 .403 1. 00 28 .23 6

ATOM 101 CGl VAL 14 -17 .134 3 .637 2 .541 1. 00 24 .97 6

ATOM 102 CG2 VAL 14 -19 .082 4 .862 3 .568 1. 00 26 .26 6

ATOM 103 C VAL 14 -20 .494 2 .227 3 .768 1. 00 27 .26 6 349

ATOM 104 O VAL 14 -21 .611 2 .713 3 .564 1 .00 29 .03 8

ATOM 105 N THR 15 -20 .216 1 .477 4 .827 1 .00 27 .18 7

ATOM 106 CA THR 15 -21 .230 1 .194 5 .833 1 .00 25 .91 6

ATOM 107 CB THR 15 -21 .703 -0 .283 5 .761 1 .00 25 .09 6

ATOM 108 OGl THR 15 -22 .366 -0 .514 4 .508 1 .00 24 .07 8

ATOM 109 CG2 THR 15 -22 .674 -0 .592 6 .903 1 .00 26 .32 6

ATOM 110 C THR 15 -20 .675 1 .476 7 .225 1 .00 27 .52 6

ATOM 111 O THR 15 -19 .726 0 .819 7 .671 1 .00 27 .91 8

ATOM 112 N LEU 16 -21 .259 2 .471 7 .893 1 .00 26 .09 7

ATOM 113 CA LEU 16 -20 .862 2 .853 9 .248 1 .00 26 .24 6

ATOM 114 CB LEU 16 -21 .118 4 .350 9 .476 1 .00 24 .20 6

ATOM 115 CG LEU 16 -20 .482 5 .273 8 .429 1 .00 25 .66 6

ATOM 116 CDl LEU 16 -20 .744 6 .729 8 .787 1 .00 25 .62 6

ATOM 117 CD2 LEU 16 -18 .980 5 .003 8 .347 1 .00 26 .07 6

ATOM 118 C LEU 16 -21 .693 2 .012 10 .215 1 .00 26 .55 6

ATOM 119 O LEU 16 -22 .923 2 .115 10 .253 1 .00 26 .97 8

ATOM 120 N PRO 17 -21 .023 1 .169 11 .015 1 .00 27 .02 7

ATOM 121 CD PRO 17 -19 .561 1 .014 11 .037 1 .00 28 .15 6

ATOM 122 CA PRO 17 -21 .638 0 .272 11 .994 1 .00 26 .86 6

ATOM 123 CB PRO 17 -20 .464 -0 .602 12 .460 1 .00 28 .77 6

ATOM 124 CG PRO 17 -19 .423 -0 .428 11 .398 1 .00 29 .06 6

ATOM 125 C PRO 17 -22 .344 0 .904 13 .181 1 .00 26 .98 6

ATOM 126 O PRO 17 -21 .824 1 .818 13 .826 1 .00 26 .66 8

ATOM 127 N CYS 18 -23 .530 0 .387 13 .466 1 .00 25 .68 7

ATOM 128 CA CYS 18 -24 .331 0 .814 14 .605 1 .00 27 .93 6

ATOM 129 C CYS 18 -25 .417 -0. .235 14 .778 1 .00 28 .61 6

ATOM 130 O CYS 18 -26 .156 -0. .527 13 .841 1 .00 27 .60 8

ATOM 131 CB CYS 18 -24 .970 2 , .183 14 .380 1 , ,00 25 .53 6

ATOM 132 SG CYS 18 -25. .450 2. .957 15 .956 1 , .00 26 .26 16

ATOM 133 N HIS 19 -25 .867 -0 , .815 16 .119 1. , 00 30 .53 7

ATOM 134 CA HIS 19 -26 .858 -1. .803 16 .244 1. , 00 34 .23 6

ATOM 135 CB HIS 19 -26 .521 -3. .135 15 .663 1. .00 39 .81 6

ATOM 136 CG HIS 19 -25. .384 -3. .629 16 .485 1. .00 45 .99 6

ATOM 137 CD2 HIS 19 -24. .158 -4. .086 16 .113 1. .00 48 .00 6

ATOM 138 NDl HIS 19 -25. .459 -3. ,692 17 .843 1. 00 49 .47 7

ATOM 139 CEl HIS 19 -24 , .315 -4. 179 18 .289 1. 00 48 .88 6

ATOM 140 NE2 HIS 19 -23. 506 -4. 439 17 .261 1. 00 49 .04 7

ATOM 141 C HIS 19 -27. 087 -1. 747 17 .747 1. 00 33 .74 6

ATOM 142 O HIS 19 -26. 525 -0. 917 18 .458 1. 00 32 .64 8

ATOM 143 N TYR 20 -27. 984 -2. 213 18 .016 1. 00 33 .41 7

ATOM 144 CA TYR 20 -28. 934 -1. 848 19 .162 1. 00 34 .71 6

ATOM 145 CB TYR 20 -29. 927 -0. 693 19 .244 1. 00 34 .11 6

ATOM 146 CG TYR 20 -30. 406 -0. 413 20 .647 1. 00 31 .66 6

ATOM 147 CDl TYR 20 -29. 504 -0. 109 21 .666 1. 00 31 .39 6

ATOM 148 CEl TYR 20 -29. 945 0. 159 22 .959 1. 00 31 .19 6

ATOM 149 CD2 TYR 20 -31. 762 -0. 445 20 .955 1. 00 31 .99 6

ATOM 150 CE2 TYR 20 -32. 211 -0. 182 22 .239 1. 00 31 .79 6

ATOM 151 CZ TYR 20 -31. 299 0. 120 23 .236 1. 00 30 .50 6

ATOM 152 OH TYR 20 -31. 755 0. 379 24 .507 1. 00 30 .33 8

ATOM 153 C TYR 20 -29. 649 ~ 3 167 19 .372 1. 00 36 .29 6

ATOM 154 O TYR 20 -30. 819 -3. 330 19 .021 1. 00 35 .74 8

ATOM 155 N LEU 21 -28. 964 -4. 032 19 .948 1. 00 38 .30 7

ATOM 156 CA LEU 21 -29. 598 -5. 292 20 .153 1. 00 39 .98 6

ATOM 157 CB LEU 21 -29. 004 -5. 884 21 .443 1. 00 41 .49 6

ATOM 158 CG LEU 21 -28. 048 -7. 032 21 .253 1. 00 43 .70 6

ATOM 159 CDl LEU 21 -27. 870 -7. 329 19 .786 1. 00 43 .81 6

ATOM 160 CD2 LEU 21 -26. 724 -6. 730 21 .922 1. 00 42 .77 6 350

ATOM 161 C LEU 21 -30. .966 -5 .131 20 .657 1 .00 40 .62 6

ATOM 162 O LEU 21 -31. .804 -5 .835 20 .088 1 .00 43 .38 8

ATOM 163 N SER 22 -31. .231 -4 .440 21 .785 1 .00 39 .14 7

ATOM 164 CA SER 22 -32. .584 -4 .512 22 .470 1 .00 38 .63 6

ATOM 165 CB SER 22 -32. ,521 - 3 .955 23 .894 1 .00 40 .49 6

ATOM 166 OG SER 22 -31, .245 -4 .170 24 .477 1 .00 43 .27 8

ATOM 167 C SER 22 -33. ,650 -3 .778 21 .808 1 .00 37 .04 6

ATOM 168 O SER 22 -34. ,740 - 3 .574 22 .338 1 .00 36 .67 8

ATOM 169 N TRP 23 -33. ,325 -3 .380 20 .628 1 .00 35 .64 7

ATOM 170 CA TRP 23 -34. 326 -2 .574 19 .936 1 .00 34 .14 6

ATOM 171 CB TRP 23 -34. 010 -2 .561 18 .438 1 .00 33 .63 6

ATOM 172 CG TRP 23 -34. 826 -1 .586 17 .642 1 .00 32 .28 6

ATOM 173 CD2 TRP 23 -34. 415 -0 .283 17 .211 1 .00 31 .45 6

ATOM 174 CE2 TRP 23 -35. 488 0 .269 16 .473 1 .00 31 .92 6

ATOM 175 CE3 TRP 23 -33. 246 0 .470 17 .376 1 .00 30 .50 6

ATOM 176 CDl TRP 23 -36. 095 -1 .766 17 .167 1 .00 31 .87 6

ATOM 177 NEl TRP 23 -36. 498 -0 .655 16 .460 1 .00 31 .26 7

ATOM 178 CZ2 TRP 23 -35. 421 1 .545 15 .899 1 .00 32 .06 6

ATOM 179 CZ3 TRP 23 -33. 178 1 .734 16 .807 1 .00 28 .99 6

ATOM 180 CH2 TRP 23 -34. 260 2 .260 16 .075 1 .00 32 .63 6

ATOM 181 C TRP 23 -35. 793 -2 .961 20 .150 1 .00 34 .72 6

ATOM 182 O TRP 23 -36. 159 -4 .137 20 .106 1 .00 33 .78 8

ATOM 183 N SER 24 -36. 623 -1 .946 20 .375 1 .00 33 .41 7

ATOM 184 CA SER 24 -38. 062 -2 .116 20 .570 1 .00 33 .77 6

ATOM 185 CB SER 24 -38. 471 -1 .674 21 .976 1 .00 33 .37 6

ATOM 186 OG SER 24 -39. 875 -1 .519 22 .060 1 .00 33 .21 8

ATOM 187 C SER 24 -38. 796 -1 .263 19 .538 1 .00 34 .39 6

ATOM 188 O SER 24 -38. 668 -0, .036 19 , .529 1, .00 33 .17 8

ATOM 189 N GLN 25 -39. 568 -1, .914 18 , .673 1. , 00 34 .87 7

ATOM 190 CA GLN 25 -40. 307 -1, .213 17. .625 1. .00 34 .77 6

ATOM 191 CB GLN 25 -41. 087 -2. .210 16. , 766 1. , 00 36 .46 6

ATOM 192 CG GLN 25 -40. 223 -2 , , 991 15. ,793 1. , 00 40 .29 6

ATOM 193 CD GLN 25 -41. 010 -4. .038 15. .027 1. , 00 42 .67 6

ATOM 194 OEl GLN 25 -41. 374 -5. , 080 15. ,573 1. ,00 44 .33 8

ATOM 195 NE2 GLN 25 -41. 287 -3. ,760 13. 759 1. 00 43 .07 7

ATOM 196 C GLN 25 -41. 263 -0. ,158 18. 152 1. 00 33 .92 6

ATOM 197 O GLN 25 -41. 550 0. 827 17. 468 1. 00 33 .98 8

ATOM 198 N SER 26 -41. 754 -0. 355 19. 368 1. 00 32 .04 7

ATOM 199 CA SER 26 -42. 693 0. 590 19. 948 1. 00 32 .40 6

ATOM 200 CB SER 26 -43. 700 -0. 150 20. 833 1. 00 32 .17 6

ATOM 201 OG SER 26 -43. 051 -0. 759 21. 934 1. 00 32 .13 8

ATOM 202 C SER 26 -42. 032 1. 687 20. 771 1. 00 32 .07 6

ATOM 203 O SER 26 -42. 637 2. 730 21. 021 1. 00 32 .53 8

ATOM 204 N ARG 27 -40. 752 1. 709 21. 174 1. 00 30 .82 7

ATOM 205 CA ARG 27 -40. 014 2. 654 21. 996 1. 00 31 .00 6

ATOM 206 CB ARG 27 -39. 731 1. 998 23. 347 1. 00 34 .39 6

ATOM 207 CG ARG 27 -40. 941 1. 199 23. 845 1. 00 39 .70 6

ATOM 208 CD ARG 27 -40. 780 0. 680 25. 261 1. 00 44 .25 6

ATOM 209 NE ARG 27 -39. 583 1. 201 25. 909 1. 00 48 .91 7

ATOM 210 CZ ARG 27 -38. 428 0. 547 25. 976 1. 00 51 .58 6

ATOM 211 NHl ARG 27 -38. 315 -0. 661 25. 436 1. 00 52 .21 7

ATOM 212 NH2 ARG 27 -37. 380 1. 107 26. 575 1. 00 53 .45 7

ATOM 213 C ARG 27 -38. 740 3. 257 21. 418 1. 00 28 .46 6

ATOM 214 O ARG 27 -38. 358 4. 364 21. 794 1. 00 27 .09 8

ATOM 215 N ASN 28 -38. 163 2. 476 20. 593 1. 00 25 .22 7

ATOM 216 CA ASN 28 -36. 982 3. 117 20. 023 1. 00 23 .89 6

ATOM 217 CB ASN 28 -35. 856 2. 086 19. 954 1. 00 23 .96 6 351

ATOM 218 CG ASN 28 -35 .469 1 .552 21 .317 1 .00 24 .98 6

ATOM 219 ODl ASN 28 -35 .660 0 .373 21 .608 1 .00 24 .56 8

ATOM 220 ND2 ASN 28 -34 .915 2 .419 22 .158 1 .00 24 .76 7

ATOM 221 C ASN 28 -37 .110 3 .793 18 .660 1 .00 22 .65 6

ATOM 222 O ASN 28 -38 .024 3 .508 17 .877 1 .00 20 .05 8

ATOM 223 N SER 29 -36 .173 4 .705 18 .410 1 .00 20 .47 7

ATOM 224 CA SER 29 -36 .052 5 .432 17 .156 1 .00 19 .64 6

ATOM 225 CB SER 29 -36 .916 6 .704 17 .150 1 .00 19 .70 6

ATOM 226 OG SER 29 -36 .662 7 .543 18 .265 1 .00 21 .38 8

ATOM 227 C SER 29 -34 .567 5 .765 17 .050 1 .00 22 .01 6

ATOM 228 O SER 29 -33 .817 5 .616 18 .023 1 .00 22 .81 8

ATOM 229 N MET 30 -34 .120 6 .189 15 .878 1 .00 20 .75 7

ATOM 230 CA MET 30 -32 .706 6 .494 15 .713 1 .00 22 .42 6

ATOM 231 CB MET 30 -31 .933 5 .180 15 .507 1 .00 22 .43 6

ATOM 232 CG MET 30 -30 .536 5 .297 14 .905 1 .00 30 .05 6

ATOM 233 SD MET 30 -30 .576 5 .501 13 .111 1 .00 26 .51 16

ATOM 234 CE MET 30 -31 .485 4 .107 12 .684 1 .00 33 .11 6

ATOM 235 C MET 30 -32 .435 7 .462 14 .576 1 .00 22 .04 6

ATOM 236 O MET 30 -33 .276 7 .659 13 .691 1 .00 22 .03 8

ATOM 237 N CYS 31 -31 .261 8 .087 14 .619 1 .00 21 .94 7

ATOM 238 CA CYS 31 -30 .862 9 .015 13 .572 1 .00 21 .24 6

ATOM 239 C CYS 31 -29 .355 9 .019 13 .405 1 .00 20 .93 6

ATOM 240 O CYS 31 -28 .613 8 .679 14 .332 1 .00 19 .94 8

ATOM 241 CB CYS 31 -31 .334 10 .450 13 .871 1 .00 20 .26 6

ATOM 242 SG CYS 31 -30 .637 11 .241 15, .367 1, .00 19 .37 16

ATOM 243 N TRP 32 -28. .923 9 .383 12, .201 1, .00 20 .09 7

ATOM 244 CA TRP 32 -27. .507 9, .515 11, ,871 1, .00 20 .35 6

ATOM 245 CB TRP 32 -27 .111 8 , .664 10 , ,653 1. ,00 19 .48 6

ATOM 246 CG TRP 32 -26. .782 7 , , 234 10. , 968 1, , 00 19, .41 6

ATOM 247 CD2 TRP 32 -25, .514 6. , 717 11. ,392 1. , 00 19 , .12 6

ATOM 248 CE2 TRP 32 -25 , .671 5. ,327 11. 581 1. ,00 21 , , 03 6

ATOM 249 CE3 TRP 32 -24. .258 7. ,293 11. 628 1. 00 18. ,64 6

ATOM 250 CDl TRP 32 -27. .634 6. 166 10. 919 1. 00 20. ,45 6

ATOM 251 NEl TRP 32 -26. 974 5. 017 11. 286 1. 00 21. ,08 7

ATOM 252 CZ2 TRP 32 -24. 621 4. 503 11. 994 1. 00 21. 36 6

ATOM 253 CZ3 TRP 32 -23. 212 6. 471 12. 041 1. 00 20. 15 6

ATOM 254 CH2 TRP 32 -23. 403 5. 092 12. 218 1. 00 21. 84 6

ATOM 255 C TRP 32 -27. 313 10. 982 11. 522 1. 00 18. 55 6

ATOM 256 O TRP 32 -28. 166 11. 589 10. 880 1. 00 16. 42 8

ATOM 257 N GLY 33 -26. 197 11. 550 11. 953 1. 00 20. 53 7

ATOM 258 CA GLY 33 -25. 926 12. 940 11. 651 1. 00 23. 23 6

ATOM 259 C GLY 33 -24. 442 13. 145 11. 447 1. 00 24. 77 6

ATOM 260 O GLY 33 -23. 641 12. 239 11. 707 1. 00 24. 05 8

ATOM 261 N LYS 34 -24. 076 14. 323 10. 954 1. 00 25. 75 7

ATOM 262 CA LYS 34 -22. 674 14. 651 10. 744 1. 00 27. 60 6

ATOM 263 CB LYS 34 -22. 509 15. 603 9. 559 1. 00 28. 30 6

ATOM 264 CG LYS 34 -22. 724 14. 943 8. 211 1. 00 31. 05 6

ATOM 265 CD LYS 34 -22. 107 15. 772 7. 094 1. 00 34. 20 6

ATOM 266 CE LYS 34 -22. 019 14. 980 5. 790 1. 00 34. 10 6

ATOM 267 NZ LYS 34 -21. 082 15. 613 4. 816 1. 00 33. 04 7

ATOM 268 C LYS 34 -22. 159 15. 306 12. 015 1. 00 27. 66 6

ATOM 269 O LYS 34 -22. 884 16. 059 12. 669 1. 00 26. 71 8

ATOM 270 N GLY 35 -20. 914 15. 011 12. 368 1. 00 27. 75 7

ATOM 271 CA GLY 35 -20. 338 15. 583 13. 572 1. 00 27. 72 6

ATOM 272 C GLY 35 -20. 720 14. 806 14. 815 1. 00 27. 88 6

ATOM 273 O GLY 35 -21. 643 13. 992 14. 799 1. 00 29. 44 8

ATOM 274 N SER 36 -20. 009 15. 069 15. 903 1. 00 27. 69 7 352

ATOM 275 CA SER 36 -20 .241 14 .400 17 .178 1 .00 26 .18 6

ATOM 276 CB SER 36 -19 .366 15 .039 18 .249 1 .00 28 .93 6

ATOM 277 OG SER 36 -18 .047 15 .176 17 .770 1 .00 34 .28 8

ATOM 278 C SER 36 -21 .686 14 .471 17 .625 1 .00 25 .10 6

ATOM 279 O SER 36 -22 .397 15 .422 17 .299 1 .00 23 .26 8

ATOM 280 N CYS 37 -22 .122 13 .472 18 .386 1 .00 23 .18 7

ATOM 281 CA CYS 37 -23 .493 13 .472 18 .869 1 .00 22 .44 6

ATOM 282 C CYS 37 -23 .668 14 .632 19 .846 1 .00 21 .66 6

ATOM 283 O CYS 37 -22 .900 14 .770 20 .803 1 .00 18 .42 8

ATOM 284 CB CYS 37 -23 .824 12 .154 19 .563 1 .00 24 .31 6

ATOM 285 SG CYS 37 -23 .985 10 .690 18 .484 1 .00 26 .95 16

ATOM 286 N PRO 38 -24 .673 15 .495 19 .599 1 .00 21 .38 7

ATOM 287 CD PRO 38 -25 .449 15 .540 18 .343 1 .00 21 .55 6

ATOM 288 CA PRO 38 -24 .972 16 .660 20 .439 1 .00 20 .95 6

ATOM 289 CB PRO 38 -25 .705 17 .588 19 .472 1 .00 21 .47 6

ATOM 290 CG PRO 38 -26 .493 16 .593 18 .625 1 .00 21 .65 6

ATOM 291 C PRO 38 -25 .807 16 .319 21 .678 1 .00 21 .96 6

ATOM 292 O PRO 38 -26 .003 15 .141 22 .002 1 .00 23 .55 8

ATOM 293 N ASN 39 -26 .277 17 .359 22 .369 1 .00 20 .74 7

ATOM 294 CA ASN 39 -27 .101 17 .225 23 .573 1 .00 20 .89 6

ATOM 295 CB ASN 39 -27 .539 18 .618 24 .069 1 .00 19 .88 6

ATOM 296 CG ASN 39 -26 .422 19 .375 24 .796 1 .00 22 .59 6

ATOM 297 ODl ASN 39 -26 .594 20 .538 25 .174 1 .00 23 .91 8

ATOM 298 ND2 ASN 39 -25 .281 18 .718 25 .000 1 .00 19 .10 7

ATOM 299 C ASN 39 -28 .338 16 .364 23 .303 1 .00 21 .04 6

ATOM 300 O ASN 39 -28 .707 15 .515 24 .121 1 .00 21 .36 8

ATOM 301 N SER 40 -28 .971 16 .585 22 .154 1 .00 20 .34 7

ATOM 302 CA SER 40 -30. .165 15. .825 21 .761 1 .00 20 .16 6

ATOM 303 CB SER 40 -31 .431 16, .541 22 .244 1 .00 22 .36 6

ATOM 304 OG SER 40 -31 .618 17, .750 21 .516 1 .00 25 .28 8

ATOM 305 C SER 40 -30. .230 15. ,666 20 .243 1 .00 19 .37 6

ATOM 306 O SER 40 -29, .721 16, ,504 19 .508 1 .00 18 .58 8

ATOM 307 N LYS 41 -30. .858 14. .589 19, .783 1 .00 18 .81 7

ATOM 308 CA LYS 41 -30. , 995 14. ,312 18 , .359 1 .00 21 .07 6

ATOM 309 CB LYS 41 -31. .945 15. 322 17, .718 1 .00 24 .42 6

ATOM 310 CG LYS 41 -33. ,314 15. 346 18 , .379 1 .00 29, .67 6

ATOM 311 CD LYS 41 -34. .378 15. 956 17. ,468 1 .00 33 , .87 6

ATOM 312 CE LYS 41 -35. 753 15. 915 18. .139 1 .00 34. .35 6

ATOM 313 NZ LYS 41 -36. 852 16. 242 17. .193 1 .00 38. ,13 7

ATOM 314 C LYS 41 -29. 673 14. 294 17. 592 1 .00 21. .56 6

ATOM 315 O LYS 41 -28. 607 14. 109 18. 175 1 .00 19. .98 8

ATOM 316 N CYS 42 -29. 762 14. 473 16. 277 1 .00 21. .55 7

ATOM 317 CA CYS 42 -28. 596 14. 470 15. 395 1 .00 22. 15 6

ATOM 318 C CYS 42 -28. 410 15. 805 14. 695 1 .00 22. 04 6

ATOM 319 O CYS 42 -29. 365 16. 350 14. 135 1 .00 22. 77 8

ATOM 320 CB CYS 42 -28. 749 13. 393 14. 307 1 .00 22. 75 6

ATOM 321 SG CYS 42 -28. 701 11. 666 14. 893 1 .00 22. 91 16

ATOM 322 N ASN 43 -27. 188 16. 333 14. 724 1 .00 19. 55 7

ATOM 323 CA ASN 43 -26. 901 17. 581 14. 032 1 .00 18. 99 6

ATOM 324 CB ASN 43 -25. 575 18. 184 14. 499 1 .00 18. 59 6

ATOM 325 CG ASN 43 -25. 715 18. 979 15. 782 1 .00 19. 71 6

ATOM 326 ODl ASN 43 -26. 809 19. 406 16. 146 1 .00 18. 92 8

ATOM 327 ND2 ASN 43 -24. 600 19. 193 16. 467 1 .00 17. 16 7

ATOM 328 C ASN 43 -26. 783 17. 201 12. 560 1 .00 19. 71 6

ATOM 329 O ASN 43 -26. 401 16. 078 12. 259 1 .00 17. 32 8

ATOM 330 N ALA 44 -27. 104 18. 123 11. 656 1 , .00 18. 42 7

ATOM 331 CA ALA 44 -27. 027 17. 843 10. 221 1 , ,00 21. 30 6 353

ATOM 332 CB ALA 44 -25 .580 18 .008 9 .727 1 .00 20 .67 6

ATOM 333 C ALA 44 -27 .510 16 .421 9 .943 1 .00 21 .11 6

ATOM 334 O ALA 44 -26 .799 15 .618 9 .335 1 .00 21 .64 8

ATOM 335 N GLU 45 -28 .721 16 .118 10 .388 1 .00 20 .09 7

ATOM 336 CA GLU 45 -29 .285 14 .788 10 .219 1 .00 21 .15 6

ATOM 337 CB GLU 45 -30 .721 14 .761 10 .735 1 .00 20 .55 6

ATOM 338 CG GLU 45 -31 .420 13 .430 10 .563 1 .00 18 .64 6

ATOM 339 CD GLU 45 -32 .816 13 .461 11 .156 1 .00 19 .69 6

ATOM 340 OEl GLU 45 -32 .923 13 .411 12 .389 1 .00 18 .29 8

ATOM 341 OE2 GLU 45 -33 .801 13 .554 10 .390 1 .00 21 .17 8

ATOM 342 C GLU 45 -29 .241 14 .268 8 .783 1 .00 22 .36 6

ATOM 343 O GLU 45 -29 .607 14 .961 7 .833 1 .00 20 .19 8

ATOM 344 N LEU 46 -28 .809 13 .023 8 .639 1 .00 21 .89 7

ATOM 345 CA LEU 46 -28 .708 12 .415 7 .320 1 .00 22 .65 6

ATOM 346 CB LEU 46 -27 .324 11 .786 7 .155 1 .00 23 .60 6

ATOM 347 CG LEU 46 -26 .126 12 .719 7 .353 1 .00 22 .40 6

ATOM 348 CDl LEU 46 -24 .838 11 .909 7 .307 1 .00 24 .32 6

ATOM 349 CD2 LEU 46 -26 .125 13 .792 6 .274 1 .00 23 .11 6

ATOM 350 C LEU 46 -29 .771 11 .354 7 . Ill 1 .00 22 .29 6

ATOM 351 O LEU 46 -30 .215 11 .118 5 .984 1 .00 21 .70 8

ATOM 352 N LEU 47 -30 .001 10 .664 8 .424 1 .00 21 .70 7

ATOM 353 CA LEU 47 -31 .067 9 .684 8 .302 1 .00 21 .27 6

ATOM 354 CB LEU 47 -30 .456 8 .397 7 .743 1 .00 24 .41 6

ATOM 355 CG LEU 47 -31 .300 7 .186 7 .349 1 .00 27 .89 6

ATOM 356 CDl LEU 47 -30 .714 6 .462 6 .150 1 .00 26 .72 6

ATOM 357 CD2 LEU 47 -31. .402 6 .278 8 .537 1 .00 30 .57 6

ATOM 358 C LEU 47 -31, .727 9 .420 9 .662 1 .00 20 .02 6

ATOM 359 O LEU 47 -31. .058 9, .442 10. .700 1, .00 18 .09 8

ATOM 360 N ARG 48 -33. ,142 9, .134 9. .495 1, .00 14 , 94 7

ATOM 361 CA ARG 48 -33. .908 8 , , 912 10. .718 1, ,00 16, .65 6

ATOM 362 CB ARG 48 -34. 594 10, .212 11. .181 1, , 00 14 , .45 6

ATOM 363 CG ARG 48 -35. 636 10. .040 12. ,280 1. ,00 15. .33 6

ATOM 364 CD ARG 48 -36. 061 11. .392 12. ,854 1. .00 18. , 14 6

ATOM 365 NE ARG 48 -35. 009 11. 966 13. 697 1. 00 16. ,75 7

ATOM 366 CZ ARG 48 -34. 865 11. 693 14. 990 1. 00 18. 50 6

ATOM 367 NHl ARG 48 -35. 715 10. 865 15. 587 1. 00 15. 28 7

ATOM 368 NH2 ARG 48 -33. 856 12. 220 15. 684 1. 00 16. 50 7

ATOM 369 C ARG 48 -34. 961 7. 826 10. 531 1. 00 16. 87 6

ATOM 370 O ARG 48 -35. 615 7. 752 9. 493 1. 00 18. 49 8

ATOM 371 N THR 49 -35. 125 6. 993 11. 549 1. 00 17. 83 7

ATOM 372 CA THR 49 -36. 117 5. 926 11. 512 1. 00 19. 83 6

ATOM 373 CB THR 49 -35. 482 4. 550 11. 718 1. 00 20. 76 6

ATOM 374 OGl THR 49 -35. 113 4. 425 13. 095 1. 00 20. 00 8

ATOM 375 CG2 THR 49 -34. 246 4. 383 10. 860 1. 00 20. 91 6

ATOM 376 C THR 49 -37. 054 6. 090 12. 692 1. 00 21. 83 6

ATOM 377 O THR 49 -36. 751 6. 813 13. 649 1. 00 21. 78 8

ATOM 378 N ASP 50 -38. 211 5. 446 12. 614 1. 00 23. 43 7

ATOM 379 CA ASP 50 -39. 110 5. 438 13. 753 1. 00 23. 91 6

ATOM 380 CB ASP 50 -40. 587 5. 527 13. 348 1. 00 25. 93 6

ATOM 381 CG ASP 50 -40. 988 4. 509 12. 292 1. 00 28. 47 6

ATOM 382 ODl ASP 50 -40. 191 3. 603 11. 952 1. 00 29. 88 8

ATOM 383 OD2 ASP 50 -42. 129 4. 625 11. 803 1. 00 29. 90 8

ATOM 384 C ASP 50 -38. 752 4. 055 14. 282 1. 00 24. 22 6

ATOM 385 O ASP 50 -37. 622 3. 608 14. 077 1. 00 22. 90 8

ATOM 386 N GLY 51 -39. 680 3. 358 14. 924 1. 00 24. 01 7

ATOM 387 CA GLY 51 -39. 329 2. 048 15. 442 1. 00 26. 16 6

ATOM 388 C GLY 51 -39. 268 0. 933 14. 409 1. 00 27. 95 6 354

ATOM 389 O GLY 51 -38 .769 -0 .150 14 .703 1. 00 27. 53 8

ATOM 390 N THR 52 -39 .786 1 .227 13 .234 1. 00 29. 23 7

ATOM 391 CA THR 52 -39 .881 0 .163 12 .265 1. 00 31. 42 6

ATOM 392 CB THR 52 -41 .350 -0 .254 12 .116 1. 00 32. 19 6

ATOM 393 OGl THR 52 -41 .853 -0 .786 13 .351 1. 00 35. 31 8

ATOM 394 CG2 THR 52 -41 .483 -1 .311 11 .029 1. 00 35. 30 6

ATOM 395 C THR 52 -39 .266 0 .463 10 .858 1. 00 31. 11 6

ATOM 396 O THR 52 -38 .921 -0 .478 10 .142 1. 00 30. 56 8

ATOM 397 N ARG 53 -39 .104 1 .698 10 .421 1. 00 31. 33 7

ATOM 398 CA ARG 53 -38 .511 2 .018 9 .131 1. 00 31. 61 6

ATOM 399 CB ARG 53 -39 .566 1 .876 8 .031 1. 00 34. 20 6

ATOM 400 CG ARG 53 -40 .493 3 .079 7 .899 1. 00 40. 77 6

ATOM 401 CD ARG 53 -41 .952 2 .730 8 .170 1. 00 45. 58 6

ATOM 402 NE ARG 53 -42 .230 2 .598 9 .598 1. 00 51. 25 7

ATOM 403 CZ ARG 53 -43 .426 2 .317 10 .114 1. 00 51. 94 6

ATOM 404 NHl ARG 53 -44 .476 2 .131 9 .319 1. 00 53. 23 7

ATOM 405 NH2 ARG 53 -43 .576 2 .227 11 .430 1. 00 52. 40 7

ATOM 406 C ARG 53 -37 .919 3 .415 9 .062 1. 00 29. 65 6

ATOM 407 O ARG 53 -38 .094 4 .225 9 .967 1. 00 27. 45 8

ATOM 408 N ILE 54 -37 .213 3 .693 7 .971 1. 00 27. 76 7

ATOM 409 CA ILE 54 -36 .638 5 .013 7 .783 1. 00 28. 61 6

ATOM 410 CB ILE 54 -35 .587 5 .005 6 .648 1. 00 28. 94 6

ATOM 411 CG2 ILE 54 -35 .868 3 .871 5 .685 1. 00 33. 29 6

ATOM 412 CGl ILE 54 -35 .567 6 .364 5 .949 1. 00 29. 96 6

ATOM 413 CDl ILE 54 -34 .689 6 .406 4 .714 1. 00 33. 23 6

ATOM 414 C ILE 54 -37 .802 5 .957 7 .451 1. 00 26. 20 6

ATOM 415 O ILE 54 -38 .586 5 .698 6 .535 1. 00 25. 30 8

ATOM 416 N ILE 55 -37 .928 7 .038 8 .209 1. 00 22. 50 7

ATOM 417 CA ILE 55 -39 .017 7 .980 7 .981 1. 00 23. 27 6

ATOM 418 CB ILE 55 -39 .777 8 .291 9 .292 1. 00 24. 45 6

ATOM 419 CG2 ILE 55 -40 .370 7 .008 9 .869 1. 00 25. 20 6

ATOM 420 CGl ILE 55 -38 .830 8 .935 10 .303 1. 00 24. 67 6

ATOM 421 CDl ILE 55 -39 .524 9 .452 11 .546 1. 00 24. 96 6

ATOM 422 C ILE 55 -38 .558 9 .301 7 .382 1. 00 23. 97 6

ATOM 423 O ILE 55 -39 .382 10 .128 6 .987 1. 00 22. 36 8

ATOM 424 N SER 56 -37 .247 9 .506 7 .327 1. 00 23. 28 7

ATOM 425 CA SER 56 -36 .687 10 .738 6 .780 1. 00 25. 16 6

ATOM 426 CB SER 56 -36 .789 11 .872 7 .797 1. 00 26. 63 6

ATOM 427 OG SER 56 -36 .044 12 .991 7 .349 1. 00 29. 95 8

ATOM 428 C SER 56 -35 .226 10 .526 6 .415 1. 00 24. 34 6

ATOM 429 O SER 56 -34 .539 9 .711 7 .027 1. 00 24. 39 8

ATOM 430 N ARG 57 -34 .746 11 .277 5 .436 1. 00 23. 64 7

ATOM 431 CA ARG 57 -33 .368 11 .121 4 .989 1. 00 26. 00 6

ATOM 432 CB ARG 57 -33 .275 9 .836 4 .171 1. 00 29. 68 6

ATOM 433 CG ARG 57 -32 .323 9 .877 3 .023 1. 00 35. 21 6

ATOM 434 CD ARG 57 -32 .883 ^• 9 .057 1 .879 1. 00 37. 61 6

ATOM 435 NE ARG 57 -33 .262 7 .719 2 .300 1. 00 39. 43 7

ATOM 436 CZ ARG 57 -33 .619 6 .752 1 .463 1. 00 41. 66 6

ATOM 437 NHl ARG 57 -33 .642 6 .983 0 .157 1. 00 43. 45 7

ATOM 438 NH2 ARG 57 -33 .947 5 .556 1 .931 1. 00 43. 29 7

ATOM 439 C ARG 57 -32 .950 12 .318 4 .154 1. 00 25. 65 6

ATOM 440 O ARG 57 -33 .776 12 .921 3 .471 1. 00 22. 95 8

ATOM 441 N LYS 58 -31 .669 12 .661 4 .203 1. 00 26. 26 7

ATOM 442 CA LYS 58 -31 .186 13 .805 3 .444 1. 00 26. 65 6

ATOM 443 CB LYS 58 -29 .707 14 .062 3 .734 1. 00 26. 63 6

ATOM 444 CG LYS 58 -29 .158 15 .208 2 .905 1. 00 29. 30 6

ATOM 445 CD LYS 58 -27 .704 15 .517 3 .213 1. 00 31. 57 6 355

ATOM 446 CE LYS 58 -27 .207 16 .645 2. .313 1 .00 33 .98 6

ATOM 447 NZ LYS 58 -25 .791 17 .014 2. .594 1 .00 36 .86 7

ATOM 448 C LYS 58 -31 .372 13 .608 1. 941 1 .00 26 .67 6

ATOM 449 O LYS 58 -31 .788 14 .523 1. 234 1 .00 24 .40 8

ATOM 450 N SER 59 -31 .061 12 .408 1. 461 1 .00 26 .21 7

ATOM 451 CA SER 59 -31 .185 12 .093 0. 039 1 .00 26 .48 6

ATOM 452 CB SER 59 -30 .084 12 .782 -0. 761 1 .00 27 .16 6

ATOM 453 OG SER 59 -28 .823 12 .198 -0. 462 1 .00 27 .44 8

ATOM 454 C SER 59 -31 .022 10 .597 -0. 134 1 .00 26 .90 6

ATOM 455 O SER 59 -30 .633 9 .901 0. 803 1 .00 26 .40 8

ATOM 456 N THR 60 -31 .287 10 .115 -1. 343 1 .00 27 .06 7

ATOM 457 CA THR 60 -31 .168 8 .691 -1. 649 1 .00 26 .97 6

ATOM 458 CB THR 60 -31 .670 8 .383 _ 3 060 1 .00 26 .16 6

ATOM 459 OGl THR 60 -30 .940 9 .179 -3. 999 1 .00 28 .60 8

ATOM 460 CG2 THR 60 -33 .162 8 .681 -3. 175 1 .00 28 .84 6

ATOM 461 C THR 60 -29 .733 8 .185 -1. 548 1 .00 25 .24 6

ATOM 462 O THR 60 -29 .458 7 .026 -1. 862 1 .00 26 .13 8

ATOM 463 N LYS 61 -28 .818 9 .057 -1. 142 1 .00 22 .21 7

ATOM 464 CA LYS 61 -27 .420 8 .674 -0. 980 1 .00 20 .98 6

ATOM 465 CB LYS 61 -26 .515 9 .914 -1. 013 1 .00 23 .30 6

ATOM 466 CG LYS 61 -25 .059 9 .631 -0. 620 1 .00 24 .87 6

ATOM 467 CD LYS 61 -24 .174 10 .857 -0. 820 1 .00 27 .97 6

ATOM 468 CE LYS 61 -22 .726 10 .543 -0. 493 1 .00 27 .35 6

ATOM 469 NZ LYS 61 -21 .808 11 .576 022 1 .00 29 .18 7

ATOM 470 C LYS 61 -27 .251 7 .965 0. 360 1 .00 19 .77 6

ATOM 471 O LYS 61 -26 .249 7 .282 0. 598 1 .00 16 .35 8

ATOM 472 N TYR 62 -28 .245 8 .130 1. 228 1. .00 18 .59 7

ATOM 473 CA TYR 62 -28 .226 7 .538 2. 558 1 .00 20 .28 6

ATOM 474 CB TYR 62 -28 .442 8 .636 3. 602 1. .00 19 .44 6

ATOM 475 CG TYR 62 -27 .389 9 .708 3. 525 1. .00 19 .60 6

ATOM 476 CDl TYR 62 -26 .148 9 .527 4. 127 1 , .00 20 .09 6

ATOM 477 CEl TYR 62 -25 .125 10 .466 3. 975 1. .00 20 .11 6

ATOM 478 CD2 TYR 62 -27 .593 10 .864 2. 770 1. .00 20 .60 6

ATOM 479 CE2 TYR 62 -26 .573 11 .811 2. 610 1. ,00 20 .07 6

ATOM 480 CZ TYR 62 -25 .341 11 .598 3. 215 1. , 00 18 .22 6

ATOM 481 OH TYR 62 -24 .308 12 .496 3. 044 1. ,00 21 .30 8

ATOM 482 C TYR 62 -29 .305 6 .477 2. 695 1. ,00 20 .83 6

ATOM 483 O TYR 62 -30 .426 6 .666 2. 230 1. 00 20 .84 8

ATOM 484 N THR 63 -28 .963 5 .366 3. 337 1. 00 21 .59 7

ATOM 485 CA THR 63 -29 .913 4 .285 3. 529 1. 00 21 .40 6

ATOM 486 CB THR 63 -30 .142 3 .505 2. 216 1. 00 21 .66 6

ATOM 487 OGl THR 63 -31 .274 2 .646 2. 375 1. 00 23 .29 8

ATOM 488 CG2 THR 63 -28 .917 2 .658 1. 875 1. 00 19 .81 6

ATOM 489 C THR 63 -29 .464 3 .296 4. 602 1. 00 22 .82 6

ATOM 490 O THR 63 -28 .314 3 .317 5. 048 1. 00 22 .36 8

ATOM 491 N LEU 64 -30 .399 2 .445 5. 012 1. 00 23 .22 7

ATOM 492 CA LEU 64 -30 .167 1 .416 6. 013 1. 00 25 .64 6

ATOM 493 CB LEU 64 -31 .103 1 .628 7. 204 1. 00 27 .29 6

ATOM 494 CG LEU 64 -30 .598 2 .356 8. 453 1. 00 27 .37 6

ATOM 495 CDl LEU 64 -29 .679 3 .520 8. 111 1. 00 26 .23 6

ATOM 496 CD2 LEU 64 -31 .813 2 .818 9. 223 1. 00 28 .85 6

ATOM 497 C LEU 64 -30 .482 0 .084 5. 346 1. 00 27 .07 6

ATOM 498 O LEU 64 -31 .630 -0 .180 4. 994 1. 00 28 .66 8

ATOM 499 N LEU 65 -29 .465 -0 .750 5. 171 1. 00 27 .70 7

ATOM 500 CA LEU 65 -29 .644 -2 .044 4. 523 1. 00 28 .87 6

ATOM 501 CB LEU 65 -28 .335 -2 .464 3. 861 1. 00 27 .64 6

ATOM 502 CG LEU 65 -27 .801 -1 .455 2. 847 1. 00 27 .40 6 356

ATOM 503 CDl LEU 65 -26 .511 -1 .970 2 .251 1 .00 28 .79 6

ATOM 504 CD2 LEU 65 -28 .835 _ -y .223 1 .764 1 .00 25 .01 6

ATOM 505 C LEU 65 -30 .120 - 3 .145 5 .465 1 .00 30 .22 6

ATOM 506 O LEU 65 -30 .719 -4 .129 5 .026 1 .00 31 .76 8

ATOM 507 N GLY 66 -29 .847 -2 .990 6 .756 1 .00 29 .29 7

ATOM 508 CA GLY 66 -30 .269 -3 .996 7 .711 1 .00 28 .69 6

ATOM 509 C GLY 66 -31 .736 -3 .865 8 .062 1 .00 29 .06 6

ATOM 510 O GLY 66 -32 .462 -3 .090 7 .436 1 .00 28 .03 8

ATOM 511 N LYS 67 -32 .176 -4 .633 9 .057 1 .00 29 .90 7

ATOM 512 CA LYS 67 -33 .560 -4 .594 9 .513 1 .00 31 .53 6

ATOM 513 CB LYS 67 -34 .066 -6 .006 9 .816 1 .00 34 .88 6

ATOM 514 CG LYS 67 -34 .601 -6 .738 8 .595 1 .00 39 .39 6

ATOM 515 CD LYS 67 -35 .357 -7 .997 8 .997 1 .00 42 .08 6

ATOM 516 CE LYS 67 -36 .269 -8 .482 7 .868 1 .00 45 .59 6

ATOM 517 NZ LYS 67 -37 .341 -7 .485 7 .543 1 .00 47 .35 7

ATOM 518 C LYS 67 -33 .717 -3 .717 10 .751 1 .00 29 .97 6

ATOM 519 O LYS 67 -33 .347 -4 .105 11 .862 1 .00 28 .77 8

ATOM 520 N VAL 68 -34 .277 -2 .531 10 .541 1 .00 29 .79 7

ATOM 521 CA VAL 68 -34 .497 -1 .559 11 .603 1 .00 30 .28 6

ATOM 522 CB VAL 68 -35 .357 -0 .381 11 .088 1 .00 31 .76 6

ATOM 523 CGl VAL 68 -35 .742 0 .537 12 .242 1 .00 31 .08 6

ATOM 524 CG2 VAL 68 -34 .588 0 .391 10 .028 1 .00 31 .51 6

ATOM 525 C VAL 68 -35 .168 -2 .149 12 .839 1 .00 30 .14 6

ATOM 526 O VAL 68 -34 .693 -1 .965 13 .960 1 .00 27 .85 8

ATOM 527 N GLN 69 -36 .271 -2 .857 12 .633 1 .00 30 .86 7

ATOM 528 CA GLN 69 -37 .001 -3 .449 13 .740 1 .00 34 .09 6

ATOM 529 CB GLN 69 -38 , .222 -4 .225 13 , .228 1. .00 38 .76 6

ATOM 530 CG GLN 69 -37 , .932 -5. .305 12 , .195 1, .00 43 , .92 6

ATOM 531 CD GLN 69 -37. , 616 -4 .749 10 , , 815 1. .00 47. .11 6

ATOM 532 OEl GLN 69 -36. , 704 — Ό , .213 10, , 133 1, , 00 50. .26 8

ATOM 533 NE2 GLN 69 -38. ,378 -3. .743 10. ,400 1. , 00 50 , ,37 7

ATOM 534 C GLN 69 -36. .126 -4. ,345 14. ,606 1. ,00 34. ,21 6

ATOM 535 O GLN 69 -36. 485 -4. ,641 15. 741 1. 00 35. ,60 8

ATOM 536 N PHE 70 -34. 975 -4. ,761 14. 076 1. 00 34. 59 7

ATOM 537 CA PHE 70 -34. 043 -5. 613 14. 816 1. 00 36. 02 6

ATOM 538 CB PHE 70 -33. 522 -6. 758 13. 935 1. 00 40. 12 6

ATOM 539 CG PHE 70 -34. 524 _ 7 857 13. 700 1. 00 43. 74 6

ATOM 540 CDl PHE 70 ^■35. 578 ~ 7 682 12. 808 1. 00 45. 97 6

ATOM 541 CD2 PHE 70 -34. 410 -9. 071 14. 373 1. 00 46. 54 6

ATOM 542 CEl PHE 70 -36. 510 -8. 700 12. 590 1. 00 46. 84 6

ATOM 543 CE2 PHE 70 ^■35. 335 -10. 096 14. 163 1. 00 47. 51 6

ATOM 544 CZ PHE 70 ^•36. 387 -9. 909 13. 268 1. 00 47. 28 6

ATOM 545 C PHE 70 ^■32. 839 -4. 839 15. 360 1. 00 34. 18 6

ATOM 546 O PHE 70 ^■31. 878 - 5 438 15. 839 1. 00 32. 07 8

ATOM 547 N GLY 71 ^■32 . 886 -3. 513 15. 279 1. 00 32. 62 7

ATOM 548 CA GLY 71 •31. 779 -2. 715 15. 777 1. 00 29. 28 6

ATOM 549 C GLY 71 ^•30. 542 -2. 720 14. 896 1. 00 27. 85 6

ATOM 550 O GLY 71 29. 488 -2. 254 15. 322 1. 00 27. 37 8

ATOM 551 N GLU 72 30. 654 -3. 249 13. 679 1. 00 26. 94 7

ATOM 552 CA GLU 72 29. 521 -3. 282 12. 750 1. 00 26. 84 6

ATOM 553 CB GLU 72 29. 672 -4. 442 11. 762 1. 00 29. 51 6

ATOM 554 CG GLU 72 30. 219 -5. 726 12. 376 1. 00 32. 06 6

ATOM 555 CD GLU 72 30. 281 -6. 876 11. 378 1. 00 34. 66 6

ATOM 556 OEl GLU 72 30. 778 -6. 677 10. 246 1. 00 31. 56 8

ATOM 557 OE2 GLU 72 29. 835 -7. 986 11. 734 1. 00 38. 83 8

ATOM 558 C GLU 72 29. 573 -1. 961 11. 989 1. 00 26. 10 6

ATOM 559 O GLU 72 30. 048 -1. 902 10. 853 1. 00 24. 57 8 357

ATOM 560 N VAL 73 -29 .063 -0 .904 12. , 609 1 .00 25 .21 7

ATOM 561 CA VAL 73 -29 .137 0 .410 11. , 994 1 .00 23 .08 6

ATOM 562 CB VAL 73 -29 .804 1 .394 12. 976 1 .00 21 .27 6

ATOM 563 CGl VAL 73 -31 .248 0 .963 13. 190 1 .00 19 .60 6

ATOM 564 CG2 VAL 73 -29 .070 1 .398 14. 331 1 .00 17 .26 6

ATOM 565 C VAL 73 -27 .867 1 .016 11. 426 1 .00 23 .54 6

ATOM 566 O VAL 73 -27 .704 2 .242 11. 416 1 .00 22 .94 8

ATOM 567 N SER 74 -26 .975 0 .159 10. 935 1 .00 22 .07 7

ATOM 568 CA SER 74 -25 .730 0 .616 10. 338 1 .00 23 .23 6

ATOM 569 CB SER 74 -24 .866 -0 .582 9. 939 1 .00 24 .23 6

ATOM 570 OG SER 74 -24 .547 -1 .358 11. 085 1 .00 23 .15 8

ATOM 571 C SER 74 -26 .081 1 .453 9. 112 1 .00 22 .62 6

ATOM 572 O SER 74 -26 .994 1 .114 8. 371 1 .00 22 .39 8

ATOM 573 N LEU 75 -25 .357 2 .548 8. 911 1 .00 22 .93 7

ATOM 574 CA LEU 75 -25 .613 3 .458 7. 795 1 .00 22 .77 6

ATOM 575 CB LEU 75 -25 .395 4 .903 8. 246 1 .00 23 .14 6

ATOM 576 CG LEU 75 -25 .417 5 .976 7. 157 1 .00 23 .33 6

ATOM 577 CDl LEU 75 -26 .864 6 .213 6. 727 1 .00 21 .59 6

ATOM 578 CD2 LEU 75 -24 .795 7 .277 7. 692 1 .00 23 .23 6

ATOM 579 C LEU 75 -24 .739 3 .220 6. 575 1 .00 22 .72 6

ATOM 580 O LEU 75 -23 .521 3 .163 6. 686 1 .00 22 .35 8

ATOM 581 N THR 76 -25 .365 3 .107 5. 409 1 .00 23 .29 7

ATOM 582 CA THR 76 -24 .624 2 .925 4. 169 1 .00 23 .21 6

ATOM 583 CB THR 76 -25 .210 1 .767 3. 333 1 .00 22 .88 6

ATOM 584 OGl THR 76 -24 .982 0 .531 4. 021 1 .00 22 .15 8

ATOM 585 CG2 THR 76 -24. .545 1 .697 1. 963 1. .00 24 .05 6

ATOM 586 C THR 76 -24 , .661 4 .231 3. 368 1, .00 22 .71 6

ATOM 587 O THR 76 -25, .725 4 .811 3. 142 1. .00 22 .12 8

ATOM 588 N ILE 77 -23 , .482 4 .705 2. 986 1. , 00 24 , .02 7

ATOM 589 CA ILE 77 -23. .334 5, .933 2. 212 1. .00 23 , .92 6

ATOM 590 CB ILE 77 -22. ,231 6, .848 2. 792 1. .00 26, .28 6

ATOM 591 CG2 ILE 77 -22. ,216 8 , .174 2. 050 1. ,00 25 , , 88 6

ATOM 592 CGl ILE 77 -22. ,433 7, , 039 4. 297 1. 00 29, , 04 6

ATOM 593 CDl ILE 77 -21. 594 8, ,131 4. 883 1. 00 32. .13 6

ATOM 594 C ILE 77 -22. 860 5 , ,484 0. 845 1. 00 24. ,44 6

ATOM 595 O ILE 77 -21. 854 4. ,789 0. 749 1. 00 22. 72 8

ATOM 596 N SER 78 -23. 556 5. 882 -0. 210 1. 00 23. 64 7

ATOM 597 CA SER 78 -23. 150 5. 461 - 1 539 1. 00 27. 07 6

ATOM 598 CB SER 78 -24. 383 5. 271 -2. 411 1. 00 26. 75 6

ATOM 599 OG SER 78 -25. 001 6. 520 -2. 649 1. 00 27. 22 8

ATOM 600 C SER 78 -22. 185 6. 403 -2. 259 1. 00 28. 16 6

ATOM 601 O SER 78 -22. 100 7. 595 - 1 954 1. 00 26. 51 8

ATOM 602 N ASN 79 -21. 459 5. 840 -3. 221 1. 00 30. 42 7

ATOM 603 CA ASN 79 -20. 535 6. 595 -4. 059 1. 00 31. 08 6

ATOM 604 CB ASN 79 -21. 322 7. 150 -5. 243 1. 00 32. 96 6

ATOM 605 CG ASN 79 -20. 441 7. 778 -6. 285 1. 00 33. 76 6

ATOM 606 ODl ASN 79 -20. 907 8. 571 -7. 101 1. 00 36. 96 8

ATOM 607 ND2 ASN 79 -19. 162 7. 419 -6. 279 1. 00 34. 42 7

ATOM 608 C ASN 79 -19. 874 7. 738 — 3 296 1. 00 31. 17 6

ATOM 609 O ASN 79 -20. 103 8. 908 -3. 597 1. 00 31. 31 8

ATOM 610 N THR 80 -19. 043 7. 395 -2. 319 1. 00 32. 39 7

ATOM 611 CA THR 80 -18. 389 8. 395 -1. 489 1. 00 33. 21 6

ATOM 612 CB THR 80 -17. 680 7. 754 -0. 295 1. 00 33. 29 6

ATOM 613 OGl THR 80 -16. 599 6. 948 -0. 771 1. 00 31. 09 8

ATOM 614 CG2 THR 80 -18. 648 6. 894 0. 511 1. 00 33. 51 6

ATOM 615 C THR 80 -17. 360 9. 281 -2. 167 1. 00 34. 80 6

ATOM 616 O THR 80 -16. 625 8. 849 — 3 056 1. 00 34. 57 8 358

ATOM 617 N ASN 81 -17 .321 10 .532 -1. ,719 1. ,00 35 .12 7

ATOM 618 CA ASN 81 -16 .360 11 .513 -2. 205 1. ,00 36 .51 6

ATOM 619 CB ASN 81 -17 .057 12 .607 - 3 .020 1. 00 36 .11 6

ATOM 620 CG ASN 81 -18 .100 13 .358 -2. 230 1. ,00 37 .55 6

ATOM 621 ODl ASN 81 -19 .118 13 .776 -2. 778 1. 00 39 .23 8

ATOM 622 ND2 ASN 81 -17 .851 13 .551 -0. 943 1. 00 38 .73 7

ATOM 623 C ASN 81 -15 .676 12 .086 -0. 962 1. 00 36 .65 6

ATOM 624 O ASN 81 -16 .143 11 .873 0. 161 1. 00 35 .37 8

ATOM 625 N ARG 82 -14 .506 12 .793 -1. 165 1. 00 37 .57 7

ATOM 626 CA ARG 82 -13 .789 13 .347 -0. 022 1. 00 37 .50 6

ATOM 627 CB ARG 82 -12 .627 14 .218 -0. 504 1. 00 40 .40 6

ATOM 628 CG ARG 82 -11 .270 13 .753 0. 001 1. 00 45 .90 6

ATOM 629 CD ARG 82 -10 .436 13 .169 _ 2_ 128 1. 00 49 .81 6

ATOM 630 NE ARG 82 -9 .216 12 .527 -0. 646 1. 00 52 .57 7

ATOM 631 CZ ARG 82 .262 12 .047 439 1. 00 52 .78 6

ATOM 632 NHl ARG 82 -8 .384 12 .137 — 2 757 1. 00 53 .20 7

ATOM 633 NH2 ARG 82 -7 .190 11 .465 -0. 912 1. 00 53 .57 7

ATOM 634 C ARG 82 -14 .651 14 .137 0. 964 1. 00 36 .20 6

ATOM 635 O ARG 82 -14 .386 .4 .134 2. 167 1. 00 36 .03 8

ATOM 636 N GLY 83 -15 .701 14 .790 0. 531 1. 00 35 .30 7

ATOM 637 CA GLY 83 -16 .542 15 .544 1. 441 1. 00 35 .32 6

ATOM 638 C GLY 83 -17 .240 14 .682 2. 481 1. 00 35 .38 6

ATOM 639 O GLY 83 -17 .770 15 .197 3. 472 1. 00 34 .26 8

ATOM 640 N ASP 84 -17 .242 13 .371 2. 263 1. 00 33 .39 7

ATOM 641 CA ASP 84 -17 .892 12 .444 3. 187 1. 00 32 .55 6

ATOM 642 CB ASP 84 -18 .377 11 .204 2. 426 1. 00 30 .03 6

ATOM 643 CG ASP 84 -19 .392 11 .548 1. 357 1. 00 29 .31 6

ATOM 644 ODl ASP 84 -20 .394 12 .216 1. 684 1. 00 28 .08 8

ATOM 645 OD2 ASP 84 -19 .193 11 .154 0. 190 1. 00 28 .36 8

ATOM 646 C ASP 84 -16 .990 12 .022 4. 341 1. 00 31 .83 6

ATOM 647 O ASP 84 -17 .444 11 .389 5. 291 1. 00 30 .11 8

ATOM 648 N SER 85 -15 .709 12 .364 4. 255 1. 00 32 .46 7

ATOM 649 CA SER 85 -14 .762 12 .021 5. 314 1. 00 32 .99 6

ATOM 650 CB SER 85 -13 .343 12 .425 4. 915 1. 00 34 .68 6

ATOM 651 OG SER 85 -13 .233 12 .584 3. 515 1. 00 40 .85 8

ATOM 652 C SER 85 -15 .146 12 .790 6. 571 1. 00 31 .42 6

ATOM 653 O SER 85 -15 .668 13 .901 6. 482 1. 00 31 .35 8

ATOM 654 N GLY 86 -14 .893 12 .206 7. 737 1. 00 30 .86 7

ATOM 655 CA GLY 86 -15 .210 12 .908 8. 969 1. 00 31 .14 6

ATOM 656 C GLY 86 -15 .904 12 .110 10. 053 1. 00 29 .76 6

ATOM 657 O GLY 86 -15 .995 10 .886 9. 994 1. 00 29 .51 8

ATOM 658 N VAL 87 -16 .387 12 .824 11. 063 1. 00 28 .42 7

ATOM 659 CA VAL 87 -17 .081 12 .197 12. 175 1. 00 27 .19 6

ATOM 660 CB VAL 87 -16 .815 12 .947 13. 503 1. 00 27 .47 6

ATOM 661 CGl VAL 87 -17 .705 12 .393 14. 612 1. 00 26 .80 6

ATOM 662 CG2 VAL 87 -15 .345 12 .801 13. 893 1. 00 27 .50 6

ATOM 663 C VAL 87 -18 .576 12 .177 11. 915 1. 00 25 .46 6

ATOM 664 O VAL 87 -19 .144 13 .143 11. 406 1. 00 25 .00 8

ATOM 665 N TYR 88 -19 .195 11 .053 12. 251 1. 00 24 .54 7

ATOM 666 CA TYR 88 -20 .628 10 .875 12. 097 1. 00 23 .26 6

ATOM 667 CB TYR 88 -20 .949 9 .737 11. 124 1. 00 22 .96 6

ATOM 668 CG TYR 88 -20 .713 10 .093 9. 676 1. 00 24 .36 6

ATOM 669 CDl TYR 88 -19 .430 10 .085 9. 138 1. 00 23 .68 6

ATOM 670 CEl TYR 88 -19 .199 10. .458 7. 813 1. 00 23 .99 6

ATOM 671 CD2 TYR 88 -21 .773 10. .481 8. 853 1. 00 24 .15 6

ATOM 672 CE2 TYR 88 -21 .554 10 .856 7. 529 1. 00 22 .31 6

ATOM 673 CZ TYR 88 -20 .265 10 .845 7. 020 1. 00 23 .07 6 359

ATOM 674 OH TYR 88 -20 .038 11 .253 5 .732 1 .00 23 .01 8

ATOM 675 C TYR 88 -21 .146 10 .508 13 .464 1 .00 22 .72 6

ATOM 676 O TYR 88 -20 .385 10 .041 14 .310 1 .00 22 .90 8

ATOM 677 N CYS 89 -22 .435 10 .737 13 .675 1 .00 20 .84 7

ATOM 678 CA CYS 89 -23 .076 10 .411 14 .933 1 .00 20 .83 6

ATOM 679 C CYS 89 -24 .219 9 .435 14 .699 1 .00 20 .59 6

ATOM 680 O CYS 89 -25 .081 9 .679 13 .847 1 .00 20 .95 8

ATOM 681 CB CYS 89 -23 .635 11 .680 15 .607 1 .00 22 .52 6

ATOM 682 SG CYS 89 -24 .967 11 .332 16 .816 1 .00 24 .83 16

ATOM 683 N CYS 90 -24 .199 8 .320 15 .424 1 .00 20 .19 7

ATOM 684 CA CYS 90 -25 .283 7 .346 15 .376 1 .00 21 .05 6

ATOM 685 C CYS 90 -25 .949 7 .525 16 .728 1 .00 19 .90 6

ATOM 686 O CYS 90 -25 .302 7 .349 17 .756 1 .00 19 .61 8

ATOM 687 CB CYS 90 -24 .799 5 .894 15 .294 1 .00 22 .56 6

ATOM 688 SG CYS 90 -26 .233 4 .759 15 .408 1 .00 25 .31 16

ATOM 689 N ARG 91 -27 .227 7 .884 16 .742 1 .00 20 .62 7

ATOM 690 CA ARG 91 -27 .913 8 .085 18 .010 1 .00 18 .54 6

ATOM 691 CB ARG 91 -28 .408 9 .532 18 .148 1 .00 19 .85 6

ATOM 692 CG ARG 91 -28 .746 9 .930 19 .590 1 .00 19 .18 6

ATOM 693 CD ARG 91 -29 .518 11 .255 19 .709 1 .00 19 .95 6

ATOM 694 NE ARG 91 -29 .493 11 .736 21 .094 1 .00 21 .92 7

ATOM 695 CZ ARG 91 -28 .595 12 .592 21 .574 1 .00 21 .91 6

ATOM 696 NHl ARG 91 -27 .649 13 .087 20 .780 1 .00 19 .70 7

ATOM 697 NH2 ARG 91 -28 .615 12 .931 22 .862 1 .00 22 .35 7

ATOM 698 C ARG 91 -29 .103 7 .163 18 .118 1 .00 19 .32 6

ATOM 699 O ARG 91 -30 .015 7 .227 17 .294 1 .00 17 .72 8

ATOM 700 N ILE 92 -29 .072 6 .285 19 .115 1 .00 19 .70 7

ATOM 701 CA ILE 92 -30 .193 5 .392 19 .374 1 .00 21 .05 6

ATOM 702 CB ILE 92 -29 .728 4 .040 19 .924 1 .00 24 .54 6

ATOM 703 CG2 ILE 92 -30 .894 3 .057 19 .933 1 .00 24 .35 6

ATOM 704 CGl ILE 92 -28 .570 3 .517 19 .074 1 .00 26 .79 6

ATOM 705 CDl ILE 92 -28 .994 3 .036 17 .727 1 .00 33 .50 6

ATOM 706 C ILE 92 -30 .999 6 .114 20 .445 1 .00 21 .83 6

ATOM 707 O ILE 92 -30 .494 6 .381 21 .544 1 .00 21 .71 8

ATOM 708 N GLU 93 -32 .242 6 .456 20 .121 1 .00 18 .90 7

ATOM 709 CA GLU 93 -33 .083 7 .166 21 .064 1 .00 19 .05 6

ATOM 710 CB GLU 93 -34 .057 8 .081 20 .313 1 .00 18 .06 6

ATOM 711 CG GLU 93 -33 .334 9 .127 19 .458 1 .00 17 .72 6

ATOM 712 CD GLU 93 -34 .273 10 .065 18 .721 1 .00 19 .19 6

ATOM 713 OEl GLU 93 -35 .336 9 .607 18 .262 1 .00 18 .83 8

ATOM 714 OE2 GLU 93 -33 .937 11 .261 18 .590 1 .00 18 .43 8

ATOM 715 C GLU 93 -33 .819 6 .188 21 .970 1 .00 21 .21 6

ATOM 716 O GLU 93 -34 .433 5 .211 21 .511 1 .00 20 .29 8

ATOM 717 N VAL 94 -33 .722 6 .461 23 .267 1 .00 21 .56 7

ATOM 718 CA VAL 94 -34 .327 5 .632 24 .301 1 .00 23 .18 6

ATOM 719 CB VAL 94 -33 .259 5 .192 25 .329 1 .00 22 .99 6

ATOM 720 CGl VAL 94 -33 .861 4 .220 26 .330 1 .00 25 .17 6

ATOM 721 CG2 VAL 94 -32 .071 4 .573 24 .610 1 .00 21 .17 6

ATOM 722 C VAL 94 -35 .378 6 .454 25 .023 1 .00 23 .31 6

ATOM 723 O VAL 94 -35 .195 7 .649 25 .230 1 .00 23 .79 8

ATOM 724 N PRO 95 -36 .510 5 .833 25 .397 1 .00 23 .31 7

ATOM 725 CD PRO 95 -36 .996 4 .475 25 .096 1 .00 25 .11 6

ATOM 726 CA PRO 95 -37 .531 6 .611 26 .099 1 .00 22 .93 6

ATOM 727 CB PRO 95 -38 .562 5 .549 26 .480 1 .00 25 .84 6

ATOM 728 CG PRO 95 -38 .489 4 .608 25 .305 1 .00 26 .11 6

ATOM 729 C PRO 95 -36 .914 7 .303 27 .318 1 .00 23 .03 6

ATOM 730 O PRO 95 -36 .137 6 .698 28 .059 1 .00 21 .22 8 360

ATOM 731 N GLY 96 -37 .241 8 .576 27 .511 1. .00 21, .83 7

ATOM 732 CA GLY 96 -36 .697 9 .299 28 .644 1. , 00 22 , ,66 6

ATOM 733 C GLY 96 -35 .718 10 .385 28 .248 1. ,00 23 , ,18 6

ATOM 734 O GLY 96 -35 .540 10 .677 27 .063 1. .00 22 , , 62 8

ATOM 735 N TRP 97 -35 .059 10 .960 29 .248 1. 00 22. ,58 7

ATOM 736 CA TRP 97 -34 .122 12 .047 29 .028 1. 00 24 , ,56 6

ATOM 737 CB TRP 97 -34 .639 13 .293 29 .750 1. 00 24. ,60 6

ATOM 738 CG TRP 97 -36 .069 13 .588 29 .398 1. 00 27. 16 6

ATOM 739 CD2 TRP 97 -36 .534 14 .628 28 .538 1. 00 29. 97 6

ATOM 740 CE2 TRP 97 -37 .938 14 .488 28 .436 1. 00 31. 07 6

ATOM 741 CE3 TRP 97 -35 .901 15 .662 27 .842 1. 00 31. 52 6

ATOM 742 CDl TRP 97 -37 .177 12 .878 29 .777 1. 00 28. 48 6

ATOM 743 NEl TRP 97 -38 .306 13 .414 29 .199 1. 00 31. 70 7

ATOM 744 CZ2 TRP 97 -38 .715 15 .349 27 .664 1. 00 32. 16 6

ATOM 745 CZ3 TRP 97 -36 .678 16 .518 27 .072 1. 00 34. 95 6

ATOM 746 CH2 TRP 97 -38 .072 16 .355 26 .991 1. 00 34. 99 6

ATOM 747 C TRP 97 -32 .685 11 .758 29 .458 1. 00 25. 67 6

ATOM 748 O TRP 97 -32 .437 10 .985 30 .393 1. 00 21. 27 8

ATOM 749 N PHE 98 -31 .747 12 .393 28 .758 1. 00 24. 59 7

ATOM 750 CA PHE 98 -30 .324 12 .248 29 .041 1. 00 26. 52 6

ATOM 751 CB PHE 98 -29 .995 12 .877 30 .402 1. 00 27. 11 6

ATOM 752 CG PHE 98 -30 .614 14 .240 30 .612 1. 00 27. 53 6

ATOM 753 CDl PHE 98 -31 .525 14 .451 31 .644 1. 00 27. 02 6

ATOM 754 CD2 PHE 98 -30 .280 15 .306 29 .785 1. 00 25. 85 6

ATOM 755 CEl PHE 98 -32 .097 15 .703 31 .854 1. 00 27. 80 6

ATOM 756 CE2 PHE 98 -30 .846 16 .565 29 .985 1. 00 29. 12 6

ATOM 757 CZ PHE 98 -31 .758 16 .764 31 .024 1. 00 26. 45 6

ATOM 758 C PHE 98 -29 .910 10 .784 29 .064 1. 00 27. 72 6

ATOM 759 O PHE 98 -29 .054 10 .396 29 .868 1. 00 26. 01 8

ATOM 760 N ASN 99 -30 .495 9 .972 28 .182 1. 00 26. 76 7

ATOM 761 CA ASN 99 -30 .170 8 .552 28 .175 1. 00 25. 90 6

ATOM 762 CB ASN 99 -31 .184 7 .792 29 .037 1. 00 28. 52 6

ATOM 763 CG ASN 99 -32 .614 7 .976 28 .560 1. 00 29. 11 6

ATOM 764 ODl ASN 99 -32 .857 8 .631 27 .548 1. 00 32. 14 8

ATOM 765 ND2 ASN 99 -33 .563 7 .402 29 .286 1. 00 28. 79 7

ATOM 766 C ASN 99 -30 .062 7 .875 26 .812 1. 00 25. 03 6

ATOM 767 O ASN 99 -30 .015 6 .644 26 .738 1. 00 22. 02 8

ATOM 768 N ASP 100 -30 .037 8 .651 25 .733 1. 00 21. 48 7

ATOM 769 CA ASP 100 -29 .892 8 .041 24 .415 1. 00 21. 31 6

ATOM 770 CB ASP 100 -30 .077 9 .084 23 .316 1. 00 18. 07 6

ATOM 771 CG ASP 100 -31 .485 9 .631 23 .265 1. 00 14. 99 6

ATOM 772 ODl ASP 100 -32 .407 8 .942 23 .732 1. 00 15. 32 8

ATOM 773 OD2 ASP 100 -31 .666 10 .745 22 .741 1. 00 15. 30 8

ATOM 774 C ASP 100 -28 .491 7 .436 24 .297 1. 00 21. 85 6

ATOM 775 O ASP 100 -27 .563 7 .866 24 .980 1. 00 21. 43 8

ATOM 776 N VAL 101 -28 .334 6 .448 23 .425 1. 00 23. 27 7

ATOM 111 CA VAL 101 -27 .038 5 .808 23 .226 1. 00 22. 86 6

ATOM 778 CB VAL 101 -27 .208 4 .331 22 .838 1. 00 22. 49 6

ATOM 779 CGl VAL 101 -25 .846 3 .696 22 .539 1. 00 24. 34 6

ATOM 780 CG2 VAL 101 -27 .902 3 .590 23 .969 1. 00 23. 12 6

ATOM 781 C VAL 101 -26 .320 6 .552 22 .114 1. 00 23. 02 6

ATOM 782 O VAL 101 -26 .692 6 .445 20 .948 1. 00 24. 15 8

ATOM 783 N LYS 102 -25 .299 7 .314 22 .483 1. 00 22. 47 7

ATOM 784 CA LYS 102 -24 .540 8 .104 21 .523 1. 00 24. 63 6

ATOM 785 CB LYS 102 -24 .129 9 .448 22 .125 1. 00 23. 74 6

ATOM 786 CG LYS 102 -25. .224 10 .319 22 .720 1. 00 27. 53 6

ATOM 787 CD LYS 102 -24 .565 11 .644 23 .112 1. 00 30. 78 6 361

ATOM 788 CE LYS 102 -25. .363 12. .456 24. , 099 1. .00 32 .75 6

ATOM 789 NZ LYS 102 -24. ,602 13 , .692 24. .483 1. ,00 31 .49 7

ATOM 790 C LYS 102 -23. .265 7. .401 21. 083 1. ,00 25 .97 6

ATOM 791 O LYS 102 -22. .490 6. , 921 21. 906 1. .00 25 .35 8

ATOM 792 N LYS 103 -23. 031 7. 377 19. 780 1. 00 27 .14 7

ATOM 793 CA LYS 103 -21. 836 6. 747 19. 249 1. 00 27 .88 6

ATOM 794 CB LYS 103 -22. 162 5. 333 18. 773 1. 00 29 .41 6

ATOM 795 CG LYS 103 -20. 992 4. 626 18. 102 1. 00 32 .45 6

ATOM 796 CD LYS 103 -21. 420 3. 256 17. 597 1. 00 32 .27 6

ATOM 797 CE LYS 103 -20. 385 2. 650 16. 680 1. 00 32 .14 6

ATOM 798 NZ LYS 103 -20. 862 1. 337 16. 183 1. 00 31 .72 7

ATOM 799 C LYS 103 -21. 263 7. 555 18. 097 1. 00 26 .84 6

ATOM 800 O LYS 103 -21. 952 7. 806 17. 107 1. 00 26 .05 8

ATOM 801 N ASN 104 -20. 007 7. 975 18. 238 1. 00 27 .37 7

ATOM 802 CA ASN 104 -19. 322 8. 733 17. 195 1. 00 28 .25 6

ATOM 803 CB ASN 104 -18. 379 9. 768 17. 814 1. 00 29 .89 6

ATOM 804 CG ASN 104 -19. 122 10. 909 18. 494 1. 00 29 .09 6

ATOM 805 ODl ASN 104 -18. 588 11. 564 19. 386 1. 00 30 .51 8

ATOM 806 ND2 ASN 104 -20. 349 11. 156 18. 067 1. 00 26 .50 7

ATOM 807 C ASN 104 -18. 508 7. 758 16. 345 1. 00 29 .64 6

ATOM 808 O ASN 104 -17. 801 6. 903 16. 879 1. 00 30 .23 8

ATOM 809 N VAL 105 -18. 624 7. 876 15. 026 1. 00 30 .09 7

ATOM 810 CA VAL 105 -17. 887 7. 009 14. 111 1. 00 31 .09 6

ATOM 811 CB VAL 105 -18. 828 6. 104 13. 282 1. 00 30 .67 6

ATOM 812 CGl VAL 105 -18. 011 5. 272 12. 305 1. 00 30 .44 6

ATOM 813 CG2 VAL 105 -19. 630 5. 203 14. 199 1. 00 29 .82 6

ATOM 814 C VAL 105 -17. 118 7. 888 13. 148 1. 00 31 .91 6

ATOM 815 O VAL 105 -17. 668 8. 839 12. 603 1. 00 33 .28 8

ATOM 816 N ARG 106 -15. 846 7. 572 12. 940 1. 00 32 .99 7

ATOM 817 CA ARG 106 -15. 022 8. 357 12. 034 1. 00 34 .34 6

ATOM 818 CB ARG 106 -13. 659 8. 621 12. 672 1. 00 35 .74 6

ATOM 819 CG ARG 106 -12. 841 9. 683 11. 962 1. 00 40 .03 6

ATOM 820 CD ARG 106 -12. 054 10. 505 12. 975 1. 00 42 .17 6

ATOM 821 NE ARG 106 -11. 901 11. 885 12. 527 1. 00 46 .30 7

ATOM 822 CZ ARG 106 -11. 736 12. 924 13. 340 1. 00 47 .73 6

ATOM 823 NHl ARG 106 -11. 700 12. 744 14. 655 1. 00 48 .29 7

ATOM 824 NH2 ARG 106 -11. 624 14. 149 12. 840 1. 00 50 .11 7

ATOM 825 C ARG 106 -14. 849 7. 613 10. 717 1. 00 35 .57 6

ATOM 826 O ARG 106 -14. 529 6. 424 10. 711 1. 00 35 .13 8

ATOM 827 N LEU 107 -15. 076 8. 344 9. 607 1. 00 35 .95 7

ATOM 828 CA LEU 107 -14. 938 7. 775 8. 315 1. 00 39 .34 6

ATOM 829 CB LEU 107 -16. 160 8. 080 7. 410 1. 00 37 .66 6

ATOM 830 CG LEU 107 -16. 049 7. 597 5. 967 1. 00 37 .74 6

ATOM 831 CDl LEU 107 -15. 837 6. 096 5. 927 1. 00 35 .29 6

ATOM 832 CD2 LEU 107 -17. 293 7. 983 5. 167 1. 00 36 .75 6

ATOM 833 C LEU 107 -13. 716 8. 137 7. 573 1. 00 41 .76 6

ATOM 834 O LEU 107 -13. 251 9. 275 7. 495 1. 00 41 .47 8

ATOM 835 N GLU 108 -13. 001 6. 972 7. 191 1. 00 46 .32 7

ATOM 836 CA GLU 108 -11. 849 7. 333 6. 513 1. 00 51 .12 6

ATOM 837 CB GLU 108 -10. 653 7. 123 7. 352 1. 00 53 .33 6

ATOM 838 CG GLU 108 -9. 924 8. 427 7. 175 1. 00 57 .79 6

ATOM 839 CD GLU 108 -8. 828 8. 591 8. 175 1. 00 60 .03 6

ATOM 840 OEl GLU 108 -8. 021 7. 650 8. 322 1. 00 59 .90 8

ATOM 841 OE2 GLU 108 -8. 748 9. 666 8. 812 1. 00 62 .41 8

ATOM 842 C GLU 108 -11. 713 6. 666 5. 139 1. 00 53 .70 6

ATOM 843 O GLU 108 -12. 226 5. 573 4. 908 1. 00 53 .27 8

ATOM 844 N LEU 109 -11. 322 7. 650 4. 099 1. 00 56 .33 7 362

ATOM 845 CA LEU 109 -11 .251 7. .313 2 .685 1. .00 60 .02 6

ATOM 846 CB LEU 109 -12 .312 8. ,137 1 .978 1. .00 60 .25 6

ATOM 847 CG LEU 109 -13 .733 7. , 958 2 .509 1. .00 59 .87 6

ATOM 848 CDl LEU 109 -14 .519 9. .261 2 .489 1. , 00 61 .60 6

ATOM 849 CD2 LEU 109 -14 .475 6. .910 1 .703 1. .00 59 .60 6

ATOM 850 C LEU 109 -10 .011 7. ,543 1 .884 1. ,00 62 .16 6

ATOM 851 O LEU 109 -9 .222 8. 471 2 .104 1. 00 62 .46 8

ATOM 852 N ARG 110 -10 .049 6. 556 1 .002 1. 00 64 .78 7

ATOM 853 CA ARG 110 -9 .028 6. 922 0 .028 1. 00 67 .21 6

ATOM 854 CB ARG 110 -7 .649 6. 445 0 .497 1. 00 69 .02 6

ATOM 855 CG ARG 110 _ H .509 4. 938 0 .669 1. 00 71 .41 6

ATOM 856 CD ARG 110 -8 .163 4. 437 1 .952 1. 00 73 .57 6

ATOM 857 NE ARG 110 -7 .596 5. 061 3 .148 1. 00 75 .90 7

ATOM 858 CZ ARG 110 -7 .045 4. 392 4 .160 1. 00 77 .11 6

ATOM 859 NHl ARG 110 -6 .978 3. 067 4 .130 1. 00 77 .35 7

ATOM 860 NH2 ARG 110 -6 .567 5. 050 5 .211 1. 00 77 .59 7

ATOM 861 C ARG 110 -9 .304 6. 381 -1 .371 1. 00 68 .07 6

ATOM 862 O ARG 110 -10 .274 5. 655 -1 .593 1. 00 67 .63 8

ATOM 863 N ARG 111 -8 .236 6. 814 -2 .387 1. 00 69 .25 7

ATOM 864 CA ARG 111 -8 .348 6. 401 - 3 .784 1. 00 70 .77 6

ATOM 865 CB ARG 111 -7 .484 7. 319 -4 .659 1. 00 72 .27 6

ATOM 866 CG ARG 111 -7 .722 7. 179 -6 .150 1. 00 74 .06 6

ATOM 867 CD ARG 111 -9 .055 7. 776 -6 .537 1. 00 76 .06 6

ATOM 868 NE ARG 111 -9 .053 9. 225 -6 .368 1. 00 78 .36 7

ATOM 869 CZ ARG 111 -10 .118 10. 001 -6 .540 1. 00 79 .46 6

ATOM 870 NHl ARG 111 -11 .284 9. 468 -6 .884 1. 00 79 .99 7

ATOM 871 NH2 ARG 111 -10 .016 11. 313 -6 .375 1. 00 80 .34 7

ATOM 872 C ARG 111 -7 .903 4. 951 -3 .969 1. 00 70 .60 6

ATOM 873 O ARG 111 _ π .698 4. 228 - 2 .996 1. 00 71 .08 8

ATOM 874 N ALA 112 -7 .758 4. 533 ~ 5 .223 1. 00 71 .10 7

ATOM 875 CA ALA 112 - 1 .327 3. 177 -5 .548 1. 00 71 .02 6

ATOM 876 CB ALA 112 -8 .317 2. 171 -5 .003 1. 00 70 .62 6

ATOM 877 C ALA 112 -7 .191 3. 007 -7 .057 1. 00 71 .19 6

ATOM 878 O ALA 112 -6 .222 2. 423 -7 .539 1. 00 71 .76 8

ATOM 879 N LEU 113 -9 .412 2. 788 -7 .630 1. 00 15 .00 7

ATOM 880 CA LEU 113 -8 .707 2. 642 -8 .955 1. 00 15 .00 6

ATOM 881 CB LEU 113 "" QO .009 1. 314 -8 .737 1. 00 15 .00 6

ATOM 882 CG LEU 113 _ π .359 1. 260 -7 .358 1. 00 15 .00 6

ATOM 883 CDl LEU 113 -6 .603 -0. 040 -7 .171 1. 00 15 .00 6

ATOM 884 CD2 LEU 113 — O .426 2. 450 -7 .176 1. 00 15 .00 6

ATOM 885 C LEU 113 -9 .276 2. 863 -10 .358 1. 00 15 .00 6

ATOM 886 O LEU 113 -10 .306 2. 352 -10 .776 1. 00 15 .00 8

ATOM 887 N VAL 114 -8 .570 3. 752 -11 .010 1. 00 15 .00 7

ATOM 888 CA VAL 114 -8 .872 3. 885 -12 .364 1. 00 15 .00 6

ATOM 889 CB VAL 114 — o .810 2. 481 -13 .054 1. 00 15 .00 6

ATOM 890 CGl VAL 114 -8 .913 2. 654 -14 .573 1. 00 15 .00 6

ATOM 891 CG2 VAL 114 -7 .522 1. 752 -12 .678 1. 00 15 .00 6

ATOM 892 C VAL 114 -10 .264 4. 101 -12 .880 1. 00 15 .00 6

ATOM 893 O VAL 114 -10 .465 3. 099 -13 .558 1. 00 15 .00 8

ATOM 894 N PRO 115 -11 .342 4. 780 -13 .007 1. 00 15 .00 7

ATOM 895 CD PRO 115 -12 .523 5. 088 -12 .196 1. 00 15 .00 6

ATOM 896 CA PRO 115 -12 .021 3. 772 -13 .884 1. 00 15 .00 6

ATOM 897 CB PRO 115 -13 .255 4. 512 -14 .375 1. 00 15 .00 6

ATOM 898 CG PRO 115 -13 .671 5. 245 -13 .141 1. 00 15 .00 6

ATOM 899 C PRO 115 -11 .523 3. 247 -15 .167 1. 00 15 .00 6

ATOM 900 O PRO 115 -12 .458 3. 355 -15 .970 1. 00 15 .00 8

ATOM 901 N ARG 116 -10 .566 2. 728 -15 .683 1. 00 15 .00 7 363

ATOM 902 CA ARG 116 -11 .213 2 .967 -17 .031 1 .00 15 .00 6

ATOM 903 CB ARG 116 -10 .120 3 .108 -18 .115 1 .00 15 .00 6

ATOM 904 CG ARG 116 -9 .217 4 .336 -17 .897 1 .00 15 .00 6

ATOM 905 CD ARG 116 -8 .929 5 .199 -19 .100 1 .00 15 .00 6

ATOM 906 NE ARG 116 -7 .850 6 .167 -18 .793 1 .00 15 .00 7

ATOM 907 CZ ARG 116 -7 .144 6 .857 -19 .698 1 .00 15 .00 6

ATOM 908 NHl ARG 116 -7 .390 6 .729 -21 .009 1 .00 15 .00 7

ATOM 909 NH2 ARG 116 -6 .192 7 .681 -19 .293 1 .00 15 .00 7

ATOM 910 C ARG 116 -12 .300 1 .986 -17 .443 1 .00 15 .00 6

ATOM 911 O ARG 116 -12 .126 0 .762 -17 .345 1 .00 15 .00 8

ATOM 912 OXT ARG 116 -13 .344 2 .465 -17 .942 1 .00 38 .05 8

ATOM 913 O WAT S 1 -35 .296 12 .876 22 .353 1 .00 18 .41 8

ATOM 914 O WAT S 2 -37 . Ill 9 .444 22 .935 1 .00 26 .15 8

ATOM 915 O WAT S 3 -29 .619 21 .557 24 .572 1 .00 18 .78 8

ATOM 916 O WAT S 4 -34 .197 19 .369 27 .260 1 .00 19 .87 8

ATOM 917 O WAT S 5 -28 .802 -0 .891 8 .525 1 .00 23 .69 8

ATOM 918 O WAT S 6 -26 .913 14 .275 25 .748 1 .00 22 .06 8

ATOM 919 O WAT S 7 -26 .716 -0 .244 6 .012 1 .00 22 .72 8

ATOM 920 O WAT S 8 -32 .631 12 .508 20 .744 1 .00 19 .40 8

ATOM 921 O WAT S 9 -37 .976 9 .257 14 .550 1 .00 22 .51 8

ATOM 922 O WAT S 10 -28 .762 20 .340 11 .924 1 .00 21 .86 8

ATOM 923 O WAT S 11 -24 .813 14 .793 14 .594 1 .00 25 .41 8

ATOM 924 O WAT S 12 -40. .653 3 .852 18 .422 1 .00 35 .42 8

ATOM 925 O WAT S 13 -34 .291 1 .269 24 .967 1 .00 28 .17 8

ATOM 926 O WAT S 14 -30 .583 18 .391 10 .916 1 .00 27 .08 8

ATOM 927 O WAT S 15 -18 .393 14 .977 6 .564 1 .00 29 .92 8

ATOM 928 O WAT S 16 -36, .237 12 .905 18 , .485 1 .00 31 .24 8

ATOM 929 O WAT S 17 -25. .435 4 , .920 19 , .086 1 .00 21 .64 8

ATOM 930 O WAT S 18 -22. .983 20. .097 25 , , 548 1 .00 28 .70 8

ATOM 931 O WAT S 19 -26. ,794 _ O .888 11. , 057 1 .00 30 , .20 8

ATOM 932 O WAT S 20 -22. ,163 -3. .105 9. , 999 1 .00 35. .46 8

ATOM 933 O WAT S 21 -36. ,198 18. , 050 15. 242 1 .00 39 , .41 8

ATOM 934 O WAT S 22 -20. 802 13. .145 21. 457 1 .00 30. , 89 8

ATOM 935 O WAT S 23 -25. 620 20. ,013 21. 582 1 .00 22. ,78 8

ATOM 936 O WAT S 24 -37. 001 12. 499 3. 632 1 .00 29. ,67 8

ATOM 937 O WAT S 25 -15. 525 1. 365 0. 422 1 .00 29. ,67 8

ATOM 938 O WAT S 26 -21. 951 3. 268 -4. 295 1 .00 32. 51 8

ATOM 939 O WAT S 27 -35. 724 9. 846 31. 681 1 .00 26. 39 8

ATOM 940 O WAT S 28 -21. 951 11. 606 3. 916 1 .00 34. 03 8

ATOM 941 O WAT S 29 -23. 357 0. 326 17. 884 1 .00 31. 48 8

ATOM 942 O WAT S 30 -26. 054 0. 389 20. 676 1 .00 34. 38 8

ATOM 943 O WAT S 31 -34. 889 10. 399 23. 266 1 .00 24. 13 8

ATOM 944 O WAT S 32 -22. 550 17. 514 15. 394 1 .00 37. 97 8

ATOM 945 O WAT S 33 -27. 559 6. 192 -3. 863 1 .00 41. 01 8

ATOM 946 O WAT S 34 -37. 168 1. 112 5. 987 1 .00 44. 68 8

ATOM 947 O WAT S 35 -22. 883 15. 909 23. 427 1 .00 32. 56 8

ATOM 948 O WAT S 36 -32. 204 14. 728 6. 476 1 .00 35. 37 8

ATOM 949 O WAT S 37 -43. 893 6. 287 12. 928 1 .00 41. 99 8

ATOM 950 O WAT S 38 -30. 020 1. 510 26. 428 1 .00 34. 84 8

ATOM 951 O WAT S 39 -42. 516 3. 337 15. 473 1 .00 39. 28 8

ATOM 952 O WAT S 40 -16. 609 15. 751 10. 854 1 .00 35. 88 8

ATOM 953 O WAT S 41 -5. 802 8. 849 -0. 930 1 .00 41. 69 8

ATOM 954 O WAT S 42 -42. 220 - 3 368 20. 815 1 .00 36. 89 8

ATOM 955 O WAT S 43 -20. 236 3. 551 -6. 470 1 .00 32. 83 8

ATOM 956 O WAT S 44 -30. 610 19. 937 22. 698 1 .00 32. 70 8

ATOM 957 O WAT S 45 -31. 082 -4. 242 2. 144 1 .00 37. 79 8

ATOM 958 O WAT S 46 -22. 156 10. 706 -3. 724 1 .00 39. 25 8 364

ATOM 959 O WAT S 47 -15.515 15.765 16.562 00 42.61

ATOM 960 O WAT S 48 -37.706 10.751 19.171 00 27.79

ATOM 961 O WAT S 49 -33.686 -1.771 5.517 00 43.58

ATOM 962 O WAT S 50 -32.527 11.721 -3.183 1.00 41.58

ATOM 963 O WAT S 51 -35.696 -0.757 23.995 00 40.53

ATOM 964 O WAT S 52 -32.741 1.621 0.262 00 44.83

ATOM 965 O WAT S 53 -37.847 7.071 21.145 1.00 44.67

ATOM 966 O WAT S 54 -31.897 14.027 14.766 1.00 43.47

ATOM 967 O WAT S 55 -18.404 7.366 20.567 1.00 34.66

ATOM 968 O WAT S 56 -29.597 17.505 6.994 1.00 44.84

ATOM 969 O WAT S 57 -35.928 -2.347 7.761 1.00 44.18

ATOM 970 O WAT S 58 -33.494 12.851 7.902 1.00 44.33

ATOM 971 O WAT S 59 -26.778 4.564 0.161 00 44.13

ATOM 972 O WAT S 60 -20.366 9.019 22.860 00 43.85

ATOM 973 Ol TLA L 1 -31.960 11.060 25.840 0.81 11.58

ATOM 974 Oil TLA L 1 -30.107 11.921 24.891 0.81 12.80

ATOM 975 Cl TLA L 1 -31.321 11.893 25.141 0.81 9.32

ATOM 976 C2 TLA L 1 -32.149 13.118 24.666 0.81 10.47

ATOM 977 02 TLA L 1 -31.310 14.002 23.892 0.81 11.50

ATOM 978 C3 TLA L 1 -32.798 13.956 25.813 0.81 10.27

ATOM 979 03 TLA L 1 -31.783 14.448 26.682 0.81 9.98

ATOM 980 C4 TLA L 1 -33.582 15.078 25.199 0.81 11.50

ATOM 981 04 TLA L 1 -34.391 14.759 24.282 0.81 17.12

ATOM 982 041 TLA L 1 -33.331 16.243 25.539 0.81 12.83

ATOM 983 K K N 1 -33.776 9.794 25.973 0.81 9.25 19

END

365

Tim4

REMARK coordinates from minimization refinement

REMARK refinement resolution: 15 - 2.95 A

REMARK starting r= 0.2428 free__r= 0.2810

REMARK final r= 0.2369 free_r= 0.2773

REMARK rmsd bonds= 0.009140 rmsd angles= 1.84494

REMARK wa= 2.73584

REMARK target= mlf cycles= 1 steps= 15

REMARK sg= P321 a= 65.27 b= 65.27 C= 57.02 alpha= 90 beta= 90 gamma= 120

REMARK parameter file 1 : CNS_TOPPAR :protein_rep .param

REMARK parameter file 2 : CNS_TOPPAR : water_rep .param

REMARK parameter file 3 : CNS_TOPPAR: acy. param

REMARK parameter file 4 : CNS_TOPPAR: ion. param

REMARK molecular structure file: generate . mtf_l

REMARK input coordinates: generate .pdb_l

REMARK reflection file= .. / .. /data/t42xl_P321_scalal_free .hkl

REMARK ncs= none

REMARK B-correction resolution: 6 - 2.95

REMARK warning: B-correction gave atomic B-values less than zero

REMARK they have been reset to zero

REMARK initial B-factor correction applied to fobs :

REMARK BIl= -5.333 B22= -5.333 B33= 10.666

REMARK B12= -11.437 B13= 0.000 B23= 0.000

REMARK B-factor correction applied to coordinate array B: -1.010

REMARK bulk solvent: density level= 0.394753 e/A^Λ3, B-factor= 25.8439

A^A2

REMARK reflections with | Fobs | /sigma_F < 0 rejected

REMARK reflections with | Fobs | > 10000 * rms(Fobs) rejected

REMARK theoretical total number of refl. in resol . range: 3129 (

100.0 % )

REMARK number of unobserved reflections (no entry or |F|=0) : 93 (

3.0 % )

REMARK number of reflections rejected: 0 (

0.0 % )

REMARK total number of reflections used: 3036 (

97.0 % )

REMARK number of reflections in working set : 2900 (

92.7 % )

REMARK number of reflections in test set : 136 (

4.3 % )

CRYSTl 65.270 65.270 57.020 90.00 90.00 120.00 P 3 2 1

REMARK FILENAME= "mini . pdb "

REMARK DATE:22-Aug-2006 15:51:13 created by user: jcasasn

REMARK VERSION: 1.1

ATOM 1 CB MET 1 -6.677 12.455 24.421 1.00 81.60

ATOM 2 CG MET 1 -7.667 13.152 25.378 1.00 79.53

ATOM 3 SD MET 1 -9.109 13.721 24.443 1.00 78.73

ATOM 4 CE MET 1 -8.998 15.510 24.578 1.00 77.51

ATOM 5 C MET 1 -4.527 11.296 23.948 1.00 80.58

ATOM 6 O MET 1 -3.313 11.364 24.149 1.00 81.91

ATOM 7 N MET 1 -4.921 12.289 26.192 1.00 83.01

ATOM 8 CA MET 1 -5.563 11.590 25.047 1.00 81.55

ATOM 9 N SER 2 -5.051 10.951 22.781 1.00 76.70

ATOM 10 CA SER 2 -4.253 10.710 21.582 1.00 73.00

ATOM 11 CB SER 2 -4.775 9.490 20.848 1.00 70.21

ATOM 12 OG SER 2 -3.755 8.512 20.761 1.00 62.44 366

ATOM 13 C SER 2 -4 .748 12 .015 20 .960 1 .00 71 .34

ATOM 14 O SER 2 -5 .834 12 .472 21 .372 1 .00 73 .19

ATOM 15 N GLU 3 -3 .998 12 .657 20 .052 1 .00 68 .36

ATOM 16 CA GLU 3 -4 .514 13 .929 19 .519 1 .00 67 .88

ATOM 17 CB GLU 3 -3 .403 14 .891 19 . Ill 1 .00 64 .02

ATOM 18 CG GLU 3 -2 .578 14 .558 17 .835 1 .00 56 .93

ATOM 19 CD GLU 3 -1 .149 15 .121 17 .889 1 .00 53 .64

ATOM 20 OEl GLU 3 -0 .546 15 .185 18 .991 1 .00 52 .10

ATOM 21 OE2 GLU 3 -0 .622 15 .467 16 .813 1 .00 51 .57

ATOM 22 C GLU 3 -5 .513 13 .779 18 .388 1 .00 67 .33

ATOM 23 O GLU 3 -6 .647 14 .212 18 .531 1 .00 70 .61

ATOM 24 N ASP 4 -5 .087 13 .166 17 .286 1 .00 62 .92

ATOM 25 CA ASP 4 _ 5 .839 12 .886 16 .039 1 .00 59 .03

ATOM 26 CB ASP 4 -7 .108 13 .750 15 .786 1 .00 59 .96

ATOM 27 CG ASP 4 -8 .114 13 .024 14 .874 1 .00 59 .37

ATOM 28 ODl ASP 4 -8 .249 11 .792 15 .035 1 .00 58 .19

ATOM 29 OD2 ASP 4 -8 .752 13 .656 14 .000 1 .00 58 .25

ATOM 30 C ASP 4 -4 .803 13 .165 14 .950 1 .00 52 .75

ATOM 31 O ASP 4 -3 .902 13 .996 15 .115 1 .00 52 .80

ATOM 32 N THR 5 -4 .919 12 .446 13 .847 1 .00 38 .32

ATOM 33 CA THR 5 -3 .980 12 .578 12 .745 1 .00 23 .96

ATOM 34 CB THR 5 - 2 .922 11 .478 12 .782 1 .00 17 .01

ATOM 35 OGl THR 5 -1 .984 11 .731 13 .836 1 .00 9 .34

ATOM 36 CG2 THR 5 - 2 .215 11 .400 11. .455 1 .00 9 .96

ATOM 37 C THR 5 -4 .793 12 .372 11 .492 1 .00 21 .46

ATOM 38 O THR 5 -5 .696 11 .536 11 .472 1 .00 15 .15

ATOM 39 N ILE 6 -4 .466 13. .119 10 , .448 1 .00 15 .15

ATOM 40 CA ILE 6 -5 .194 13 , .024 9 , .201 1 .00 11 .39

ATOM 41 CB ILE 6 -5 .792 14 , .391 8 , ,820 1 .00 11 .34

ATOM 42 CG2 ILE 6 -6 .695 14. ,245 7 , , 584 1 .00 8 .46

ATOM 43 CGl ILE 6 -6 .543 14. .978 10 , , 016 1 .00 7 .48

ATOM 44 CDl ILE 6 _ ¹J .664 14. ,112 10. , 529 1 .00 6 .85

ATOM 45 C ILE 6 -4 .284 12. ,584 8. ,075 1 .00 11 .74

ATOM 46 O ILE 6 -3 .239 13. 183 7. 837 1 .00 11 .53

ATOM 47 N ILE 7 -4 .682 11. 532 7. 379 1 .00 12 .62

ATOM 48 CA ILE 7 -3 .898 11. 051 6. 254 1 .00 16 .16

ATOM 49 CB ILE 7 -3 .895 9. 505 6. 175 1 .00 17 .64

ATOM 50 CG2 ILE 7 -2 .883 9. 048 5. 127 1 .00 16 .71

ATOM 51 CGl ILE 7 -3 .545 8. 895 7. 543 1 .00 16 .92

ATOM 52 CDl ILE 7 — 2 .127 9. 182 8. 035 1 .00 16 .41

ATOM 53 C ILE 7 -4 .572 11. 617 5. 002 1 .00 16 .60

ATOM 54 O ILE 7 -5 .799 11. 600 4. 888 1 .00 17 .04

ATOM 55 N GLY 8 -3 .771 12. 135 4. 076 1 .00 18 .45

ATOM 56 CA GLY 8 -4 .311 12. 696 2. 853 1 .00 18 .10

ATOM 57 C GLY 8 -3 .326 12. 563 1. 711 1 .00 20 .27

ATOM 58 O GLY 8 -2 .197 12. 134 1. 913 1 .00 20 .31

ATOM 59 N PHE 9 -3 .756 12. 926 0. 506 1 .00 22 .73

ATOM 60 CA PHE 9 -2 .916 12. 856 -0. 684 1 .00 27 .50

ATOM 61 CB PHE 9 - 3 .747 12. 402 -1. 873 1 .00 34 .53

ATOM 62 CG PHE 9 -4 .070 10. 947 -1. 864 1 .00 38 .94

ATOM 63 CDl PHE 9 -3 .363 10. 063 -1. 051 1 .00 40 .31

ATOM 64 CD2 PHE 9 -5 .048 10. 442 -2. 707 1 .00 40 .31

ATOM 65 CEl PHE 9 -3 .631 697 -1. 082 1 .00 40 .06

ATOM 66 CE2 PHE 9 -5 .322 9. 080 -2. 745 1. .00 40 .04

ATOM 67 CZ PHE 9 -4 .611 207 -1. 932 1 .00 39 .85

ATOM 68 C PHE 9 -2. .264 14. 185 - 1 039 1 .00 27 .30

ATOM 69 O PHE -2 .507 15. 201 -0. 395 1. .00 31. .95 367

ATOM 70 N LEU 10 -1 .428 14 , .172 - 2 .071 1 .00 23 .12

ATOM 71 CA LEU 10 -0. .779 15, .393 _ 2 .521 1 .00 19 .12

ATOM 72 CB LEU 10 0, .683 15, .134 -2 .903 1 .00 17 .40

ATOM 73 CG LEU 10 1. .726 14 , , 826 -1 .823 1 .00 13 .15

ATOM 74 CDl LEU 10 3. .084 15 , , 026 -2 .445 1 .00 12 .59

ATOM 75 CD2 LEU 10 1. .587 15. ,748 -0 .624 1 .00 13 .41

ATOM 76 C LEU 10 -1. ,525 15. , 939 -3 .732 1 .00 18 .96

ATOM 77 O LEU 10 -2. ,002 15. ,174 -4 .579 1 .00 15 .23

ATOM 78 N GLY 11 -1. , 609 17. ,262 -3 .824 1 .00 16 .95

ATOM 79 CA GLY 11 -2. 313 17. 866 -4 .938 1 .00 19 .50

ATOM 80 C GLY 11 -3. 777 17. 538 -4 .781 1 .00 21 .39

ATOM 81 O GLY 11 -4. 528 17. 482 -5 .748 1 .00 26 .42

ATOM 82 N GLN 12 -4. 173 17. 309 -3 .536 1 .00 23 .65

ATOM 83 CA GLN 12 -5. 547 16. 986 -3 .205 1 .00 25 .46

ATOM 84 CB GLN 12 -5. 702 15. 475 -3 .041 1 .00 23 .51

ATOM 85 CG GLN 12 -6. 086 14. 767 -4 .319 1 .00 23 .44

ATOM 86 CD GLN 12 -7. 424 15. 240 -4 .841 1 .00 25 .04

ATOM 87 OEl GLN 12 -8. 446 15. 124 -4 .162 1 .00 24 .49

ATOM 88 NE2 GLN 12 -7. 426 15. 785 -6 .051 1 .00 24 .95

ATOM 89 C GLN 12 -5. 961 17. 695 -1 .925 1 .00 24 .97

ATOM 90 O GLN 12 -5. 121 18. 075 - T .118 1 .00 22 .41

ATOM 91 N PRO 13 -7. 270 17. 892 -1 .730 1 .00 26 .68

ATOM 92 CD PRO 13 -8. 363 17. 705 -2 .696 1 .00 28 .34

ATOM 93 CA PRO 13 -7. 756 18. 567 -0 .526 1 .00 27 .07

ATOM 94 CB PRO 13 -9. 236 18. 781 -0 .821 1 .00 29 .25

ATOM 95 CG PRO 13 -9. 287 18. 817 -2 .319 1 .00 31 .53

ATOM 96 C PRO 13 -7. 545 17. 729 0 .722 1 .00 25 .96

ATOM 97 O PRO 13 -7. 182 16. 558 0 .647 1 .00 25 .21

ATOM 98 N VAL 14 -7. 786 18. 348 1 .868 1 .00 23 .31

ATOM 99 CA VAL 14 -7. 637 17. 708 3 .164 1 .00 21 .49

ATOM 100 CB VAL 14 -6. 168 17. 751 3 .654 1 .00 23 .65

ATOM 101 CGl VAL 14 -6. 087 17. 285 5 .092 1 .00 27 .92

ATOM 102 CG2 VAL 14 -5. 292 16. 873 2 .780 1 .00 28 .35

ATOM 103 C VAL 14 -8. 468 18. 524 4 .134 1 .00 18 .97

ATOM 104 O VAL 14 -8. 608 19. 736 3 .959 1 .00 18 .08

ATOM 105 N THR 15 -9. 038 17. 876 5 .142 1 .00 12 .46

ATOM 106 CA THR 15 -9. 805 18. 621 6 .133 1 .00 8 .97

ATOM 107 CB THR 15 -11. 334 18. 437 5 .981 1 .00 5 .93

ATOM 108 OGl THR 15 -11. 755 18. 906 4 .696 1 .00 4 .26

ATOM 109 CG2 THR 15 -12. 062 19. 241 7 .037 1 .00 1 .05

ATOM 110 C THR 15 -9. 409 18. 212 7 .540 1 .00 10 .12

ATOM 111 O THR 15 -9. 479 17. 042 7 .908 1 .00 8 .89

ATOM 112 N LEU 16 -8. 969 19. 187 8 .320 1 .00 12 .47

ATOM 113 CA LEU 16 -8. 584 18. 932 9 .694 1 .00 13 .25

ATOM 114 CB LEU 16 -7. 540 19. 953 10 .150 1 .00 14 .02

ATOM 115 CG LEU 16 -6. 335 20. 190 9 .233 1 .00 15 .00

ATOM 116 CDl LEU 16 -5. 385 21. 156 9 .914 1 .00 15 .48

ATOM 117 CD2 LEU 16 -5. 633 18. 888 8 .930 1 .00 16 .45

ATOM 118 C LEU 16 -9. 860 19. 082 10 .510 1 .00 14 .33

ATOM 119 O LEU 16 -10. 530 20. 110 10 .445 1 .00 15 .08

ATOM 120 N PRO 17 -10. 217 18. 054 11 .287 1 .00 20 .03

ATOM 121 CD PRO 17 -9. 568 16. 738 11 .357 1 .00 20 .56

ATOM 122 CA PRO 17 -11. 428 18. 079 12 .115 1 .00 18 .67

ATOM 123 CB PRO 17 -11. 578 16. 621 12 .555 1 .00 21 .67

ATOM 124 CG PRO 17 -10. 747 15. 846 11 .559 1 .00 24 .22

ATOM 125 C PRO 17 -11. 368 19. 024 13 .325 1 .00 18 .09

ATOM 126 O PRO 17 -10. 353 19. 108 14 .021 1 .00 17 .52 368

ATOM 127 N CYS 18 -12 .469 19 .718 13 .584 1 .00 15 .75

ATOM 128 CA CYS 18 -12 .524 20 .621 14 .713 1 .00 16 .19

ATOM 129 C CYS 18 -13 .908 21 .234 14 .865 1 .00 17 .41

ATOM 130 O CYS 18 -14 .334 22 .005 14 .011 1 .00 12 .36

ATOM 131 CB CYS 18 -11 .484 21 .742 14 .548 1 .00 16 .78

ATOM 132 SG CYS 18 -11 .248 22 .781 16 .038 1 .00 17 .85

ATOM 133 N HIS 19 -14 .626 20 .880 15 .929 1 .00 24 .63

ATOM 134 CA HIS 19 -15 .933 21 .481 16 .164 1 .00 29 .45

ATOM 135 CB HIS 19 -17 .101 20 .509 16 .010 1 .00 43 .94

ATOM 136 CG HIS 19 -16 .713 19 .114 15 .624 1 .00 63 .55

ATOM 137 CD2 HIS 19 -16 .722 17 .972 16 .344 1 .00 70 .88

ATOM 138 NDl HIS 19 -16 .353 18 .776 14 .343 1 .00 70 .79

ATOM 139 CEl HIS 19 -16 .158 17 .464 14 .283 1 .00 73 .74

ATOM 140 NE2 HIS 19 -16 .375 16 .956 15 .475 1 .00 73 .52

ATOM 141 C HIS 19 -16 .029 22 .075 17 .551 1 .00 26 .35

ATOM 142 O HIS 19 -15 .044 22 .177 18 .274 1 .00 25 .07

ATOM 143 N TYR 20 -17 .252 22 .438 17 .912 1 .00 26 .00

ATOM 144 CA TYR 20 -17 .565 23 .060 19 .180 1 .00 21 .86

ATOM 145 CB TYR 20 -16 .723 24 .325 19 .320 1 .00 16 .69

ATOM 146 CG TYR 20 -16 .825 24 .996 20 .660 1 .00 10 .75

ATOM 147 CDl TYR 20 -16 .147 24 .490 21 .767 1 .00 8 .01

ATOM 148 CEl TYR 20 -16 .262 25 .086 23 .008 1 .00 7 .35

ATOM 149 CD2 TYR 20 -17 .619 26 .124 20 .829 1. .00 8 .72

ATOM 150 CE2 TYR 20 -17 .739 26 .730 22 .062 1 .00 7 .86

ATOM 151 CZ TYR 20 -17 .058 26 .206 23 .149 1 .00 8 .90

ATOM 152 OH TYR 20 -17 .168 26 .810 24 .383 1, .00 10 .46

ATOM 153 C TYR 20 -19 .057 23 .425 19 .047 1. .00 21 .69

ATOM 154 O TYR 20 -19. .390 24 .567 18 .739 1, , 00 24 .81

ATOM 155 N LEU 21 -19. .932 22 .438 19 .251 1, , 00 22 .84

ATOM 156 CA LEU 21 -21 , .395 22 .589 19 .154 1. ,00 25 .20

ATOM 157 CB LEU 21 -22. , 083 21 .218 19 .227 1. ,00 22 .56

ATOM 158 CG LEU 21 -21. ,336 20 .051 19, .884 1. 00 18 .16

ATOM 159 CDl LEU 21 -22. ,312 18, .925 20 , .174 1. 00 15 .89

ATOM 160 CD2 LEU 21 -20. 219 19, .559 18 , .963 1. 00 15 .45

ATOM 161 C LEU 21 -21. 940 23 , , 464 20. ,268 1. 00 24 , .50

ATOM 162 O LEU 21 -23. 146 23. ,744 20. .350 1. 00 28 , .82

ATOM 163 N SER 22 -20. 979 23. .894 21. ,086 1. 00 23. ,20

ATOM 164 CA SER 22 -21. 124 24. ,736 22. 280 1. 00 21. ,83

ATOM 165 CB SER 22 -20. 034 24. 213 23. 243 1. 00 18. ,57

ATOM 166 OG SER 22 -20. 033 24. 836 24. 498 1. 00 12. ,61

ATOM 167 C SER 22 -20. 990 26. 254 21. 856 1. 00 20. 49

ATOM 168 O SER 22 -21. 073 27. 197 22. 637 1. 00 20. 39

ATOM 169 N TRP 23 -20. 819 26. 460 20. 559 1. 00 21. 75

ATOM 170 CA TRP 23 -20. 621 27. 793 19. 945 1. 00 19. 28

ATOM 171 CB TRP 23 -20. 233 27. 582 18. 478 1. 00 19. 79

ATOM 172 CG TRP 23 -19. 768 28. 761 17. 702 1. 00 23. 09

ATOM 173 CD2 TRP 23 -18. 408 29. 067 17. 360 1. 00 23. 18

ATOM 174 CE2 TRP 23 -18. 426 30. 253 16. 597 1. 00 21. 96

ATOM 175 CE3 TRP 23 -17. 178 28. 443 17. 616 1. 00 21. 54

ATOM 176 CDl TRP 23 -20. 537 29. 751 17. 154 1. 00 22. 13

ATOM 177 NEl TRP 23 -19. 733 30. 652 16. 488 1. 00 21. 54

ATOM 178 CZ2 TRP 23 -17. 253 30. 842 16. 104 1. 00 22. 12

ATOM 179 CZ3 TRP 23 -16. 013 29. 031 17. 122 1. 00 21. 61

ATOM 180 CH2 TRP 23 -16. 062 30. 215 16. 371 1. 00 20. 97

ATOM 181 C TRP 23 -21. 696 28. 863 20. 032 1. 00 16. 43

ATOM 182 O TRP 23 -22. 897 28. 584 19. 977 1. 00 15. 88

ATOM 183 N SER 24 -21. 228 30. 104 20. 134 1. 00 14. 86 369

ATOM 184 CA SER 24 -22 .101 31 .266 20 .198 1 .00 16 .18

ATOM 185 CB SER 24 -22 .354 31 .661 21 .634 1 .00 15 .72

ATOM 186 OG SER 24 -21 .168 32 .217 22 .168 1 .00 14 .67

ATOM 187 C SER 24 -21 .455 32 .448 19 .492 1 .00 16 .95

ATOM 188 O SER 24 -20 .341 32 .861 19 .831 1 .00 15 .59

ATOM 189 N GLN 25 -22 .174 32 .996 18 .520 1 .00 20 .07

ATOM 190 CA GLN 25 -21 .702 34 .140 17 .760 1 .00 22 .79

ATOM 191 CB GLN 25 -22 .767 34 .547 16 .740 1 .00 18 .56

ATOM 192 CG GLN 25 -23 .888 33 .512 16 .592 1 .00 19 .34

ATOM 193 CD GLN 25 -24 .723 33 .694 15 .331 1 .00 18 .87

ATOM 194 OEl GLN 25 -25 .072 34 .813 14 .957 1 .00 17 .75

ATOM 195 NE2 GLN 25 -25 .055 32 .583 14 .676 1 .00 17 .85

ATOM 196 C GLN 25 -21 .410 35 .298 18 .710 1 .00 25 .48

ATOM 197 O GLN 25 -20 .430 36 .021 18 .548 1 .00 24 .06

ATOM 198 N SER 26 -22 .260 35 .449 19 .718 1 .00 31 .20

ATOM 199 CA SER 26 -22 .117 36 .521 20 .698 1 .00 37 .90

ATOM 200 CB SER 26 -23 .420 36 .680 21 .490 1 .00 47 .40

ATOM 201 OG SER 26 -23 .807 35 .455 22 .096 1 .00 59 .22

ATOM 202 C SER 26 -20 .957 36 .354 21 .678 1 .00 39 .03

ATOM 203 O SER 26 -20 .690 37 .256 22 .462 1 .00 37 .05

ATOM 204 N ARG 27 -20 .270 35 .217 21 .646 1 .00 37 .84

ATOM 205 CA ARG 27 -19 .162 35 .011 22 .569 1 .00 29 .50

ATOM 206 CB ARG 27 -19 .651 34 .322 23 .846 1 .00 32 .54

ATOM 207 CG ARG 27 -20 .428 35 .228 24 .799 1 .00 44 .74

ATOM 208 CD ARG 27 -20 .176 34 .859 26 .273 1, .00 51 .34

ATOM 209 NE ARG 27 -18 .994 35. .519 26 .835 X , ,00 53 .90

ATOM 210 CZ ARG 27 -19 .031 36 .374 27 .856 1, .00 54 .57

ATOM 211 NHl ARG 27 -20 .189 36, .670 28 .430 1 , .00 53 .98

ATOM 212 NH2 ARG 27 -17. .917 36, .946 28 .301 1, , 00 54 .53

ATOM 213 C ARG 27 -17. .947 34. .254 22 .040 1. , 00 25 , .96

ATOM 214 O ARG 27 -16, .881 34. ,312 22 .655 1. ,00 17 , .99

ATOM 215 N ASN 28 -18. , 087 33. ,557 20, .912 1. 00 19 , ,90

ATOM 216 CA ASN 28 -16. ,965 32. 792 20, .355 1. 00 17. ,59

ATOM 217 CB ASN 28 -17. 379 31. 339 20 , .110 1. 00 18. ,98

ATOM 218 CG ASN 28 -17. 731 30. 609 21. .379 1. 00 19. ,34

ATOM 219 ODl ASN 28 -18. 896 30. 275 21. .608 1. 00 20. 48

ATOM 220 ND2 ASN 28 -16. 731 30. 353 22. ,216 1. 00 16. 74

ATOM 221 C ASN 28 -16. 323 33. 311 19. , 066 1. 00 17. 06

ATOM 222 O ASN 28 -16. 957 33. 953 18. ,237 1. 00 19. 20

ATOM 223 N SER 29 -15. 044 32. 995 18. 919 1. 00 16. 74

ATOM 224 CA SER 29 -14. 251 33. 345 17. 748 1. 00 15. 10

ATOM 225 CB SER 29 -13. 481 34. 643 17. 979 1. 00 11. 82

ATOM 226 OG SER 29 -12. 788 34. 616 19. 211 1. 00 7. 55

ATOM 227 C SER 29 -13. 303 32. 165 17. 589 1. 00 15. 48

ATOM 228 O SER 29 -13. 279 31. 283 18. 452 1. 00 16. 13

ATOM 229 N MET 30 -12. 515 32. 133 16. 520 1. 00 15. 89

ATOM 230 CA MET 30 -11. 636 30. 981 16. 320 1. 00 18. 83

ATOM 231 CB MET 30 -12. 528 29. 786 15. 941 1. 00 16. 01

ATOM 232 CG MET 30 -11. 823 28. 501 15. 576 1. 00 12. 01

ATOM 233 SD MET 30 -11. 158 28. 433 13. 896 1. 00 8. 11

ATOM 234 CE MET 30 -12. 064 29. 652 13. 126 1. 00 6. 09

ATOM 235 C MET 30 -10. 518 31. 182 15. 284 1. 00 19. 79

ATOM 236 O MET 30 -10. 662 31. 985 14. 354 1. 00 22. 48

ATOM 237 N CYS 31 -9. 408 30. 456 15. 455 1. 00 21. 32

ATOM 238 CA CYS 31 ~ O . 278 30. 534 14. 521 1. 00 18. 28

ATOM 239 C CYS 31 - 7 530 29. 219 14. 310 1. 00 16. 40

ATOM 240 O CYS 31 -7. 460 28. 380 15. 214 1. 00 13. 00 370

ATOM 241 CB CYS 31 -7 .252 31 .578 14 .973 1 .00 15 .24

ATOM 242 SG CYS 31 -6 .312 31 .134 16 .471 1 .00 15 .30

ATOM 243 N TRP 32 -6 .977 29 .060 13 .105 1 .00 16 .40

ATOM 244 CA TRP 32 -6 .170 27 .892 12 .742 1 .00 19 .72

ATOM 245 CB TRP 32 -6 .644 27 .232 11 .442 1 .00 16 .95

ATOM 246 CG TRP 32 -7 .753 26 .238 11 .549 1 .00 15 .53

ATOM 247 CD2 TRP 32 -7 .641 24 .865 11 .942 1 .00 14 .59

ATOM 248 CE2 TRP 32 -8 .924 24 .291 11 .800 1 .00 13 .79

ATOM 249 CE3 TRP 32 -6 .584 24 .065 12 .381 1 .00 14 .55

ATOM 250 CDl TRP 32 -9 .062 26 .434 11 .213 1 .00 15 .04

ATOM 251 NEl TRP 32 -9 .769 25 .268 11 .361 1 .00 12 .56

ATOM 252 CZ2 TRP 32 -9 .172 22 .941 12 .099 1 .00 14 .20

ATOM 253 CZ3 TRP 32 -6 .836 22 .728 12 .674 1 .00 13 .52

ATOM 254 CH2 TRP 32 -8 .119 22 .180 12 .525 1 .00 12 .16

ATOM 255 C TRP 32 -4 .759 28 .415 12 .483 1 .00 20 .03

ATOM 256 O TRP 32 -4 .591 29 .522 11 .970 1 .00 21 .82

ATOM 257 N GLY 33 -3 .751 27 .617 12 .819 1 .00 20 .25

ATOM 258 CA GLY 33 -2 .380 28 .026 12 .575 1 .00 20 .93

ATOM 259 C GLY 33 - 1 .488 26 .822 12 .353 1 .00 22 .49

ATOM 260 O GLY 33 -1 .882 25 .693 12 .640 1 .00 22 .48

ATOM 261 N LYS 34 -0 .285 27 .046 11 .843 1 .00 23 .43

ATOM 262 CA LYS 34 0 .632 25 .941 11 .615 1 .00 24 .42

ATOM 263 CB LYS 34 1 .562 26 .254 10 .442 1 .00 28 .17

ATOM 264 CG LYS 34 2 .321 25 .055 9 .911 1 .00 36 .81

ATOM 265 CD LYS 34 1 .837 24 .656 8 .523 1. .00 40 .03

ATOM 266 CE LYS 34 2 .714 23 .555 7 .932 1. ,00 42 .01

ATOM 267 NZ LYS 34 2 .745 22 .361 8 .818 1 _c , 00 41 .67

ATOM 268 C LYS 34 1. .436 25 .780 12 .890 X _, , 00 24 .02

ATOM 269 O LYS 34 1 .851 26 .779 13 .484 1, , 00 23 .11

ATOM 270 N GLY 35 1 , .639 24 .533 13 .315 1. ,00 21 .55

ATOM 271 CA GLY 35 2 , .398 24 .270 14 .530 1. , 00 20 .38

ATOM 272 C GLY 35 1. .523 24 .045 15 .750 1. 00 20 .69

ATOM 273 O GLY 35 0. ,325 24 .306 15, .707 1. 00 19 .48

ATOM 274 N SER 36 2. ,123 23 .564 16 , .838 1. 00 22 .51

ATOM 275 CA SER 36 1. .392 23 .303 18. , 078 1. 00 20 .00

ATOM 276 CB SER 36 2. ,324 22 .738 19 , , 147 1. 00 23 .53

ATOM 277 OG SER 36 2. 830 21 .468 18. ,772 1. 00 37 .70

ATOM 278 C SER 36 0. 779 24 .589 18. ,578 1. 00 16 .79

ATOM 279 O SER 36 1. 261 25 .668 18. ,265 1. 00 12 .18

ATOM 280 N CYS 37 -0. 287 24 .483 19. ,357 1. 00 16 .60

ATOM 281 CA CYS 37 -0. 939 25 .677 19. 863 1. 00 16 .23

ATOM 282 C CYS 37 -0. 073 26 .459 20. 819 1. 00 11 .56

ATOM 283 O CYS 37 0. 479 25 .908 21. 769 1. 00 11 .90

ATOM 284 CB CYS 37 -2. 238 25 .334 20. 573 1. 00 19 .29

ATOM 285 SG CYS 37 -3. 582 24 .752 19. 504 1. 00 27 .49

ATOM 286 N PRO 38 0. 053 27 .768 20. 578 1. 00 19 .70

ATOM 287 CD PRO 38 -0. 459 28 .470 19. 396 1. 00 17 .25

ATOM 288 CA PRO 38 0. 845 28 .674 21. 410 1. 00 20 .06

ATOM 289 CB PRO 38 0. 867 29 .964 20. 596 1. 00 18 .77

ATOM 290 CG PRO 38 0. 574 29 .516 19. 204 1. 00 18 .64

ATOM 291 C PRO 38 0. 105 28 .858 22. 735 1. 00 23 .33

ATOM 292 O PRO 38 -0. 896 28 .183 22. 992 1. 00 27 .31

ATOM 293 N ASN 39 0. 580 29 .772 23. 573 1. 00 27 .15

ATOM 294 CA ASN 39 -0. 087 29 .992 24. 844 1. 00 28 .54

ATOM 295 CB ASN 39 0. 888 30 , .530 25. 881 1. 00 33 .49

ATOM 296 CG ASN 39 0. 427 30 , ,262 27. 296 1. 00 37, .84

ATOM 297 ODl ASN 39 0. 659 29, , 181 27. 840 1. 00 39, .68 371

ATOM 298 ND2 ASN 39 -0 .248 31 .239 27 .896 1 .00 40 .28

ATOM 299 C ASN 39 - 1 .223 30 .982 24 .635 1. .00 29 .80

ATOM 300 O ASN 39 -2 .167 31 .051 25 .421 1. .00 27 .13

ATOM 301 N SER 40 -1. .122 31 .757 23 .566 1, .00 29 .53

ATOM 302 CA SER 40 -2 , .150 32 .724 23 .237 1, .00 26 .97

ATOM 303 CB SER 40 _ -j_ , 800 34 .097 23 .813 1. , 00 30 .01

ATOM 304 OG SER 40 -0. , 628 34 .618 23 .221 1. .00 40 .18

ATOM 305 C SER 40 -2. ,258 32 .787 21 .721 1. .00 23 .65

ATOM 306 O SER 40 -1. .259 32 .890 21 .022 1. .00 20 .95

ATOM 307 N LYS 41 -3. 485 32 .714 21 .228 1. 00 19 .41

ATOM 308 CA LYS 41 -3. 778 32 .737 19 .801 1. 00 17 .71

ATOM 309 CB LYS 41 -3. 612 34 .149 19 .239 1. 00 15 .81

ATOM 310 CG LYS 41 -2. 391 34 .892 19 .702 1. 00 11 .22

ATOM 311 CD LYS 41 -2. 610 36 .390 19 .581 1. 00 11 .54

ATOM 312 CE LYS 41 -3. 945 36 .798 20 .201 1. 00 10 .89

ATOM 313 NZ LYS 41 -4. 019 38 .241 20 .550 1. 00 9 .26

ATOM 314 C LYS 41 -3. 017 31 .740 18 .938 1. 00 18 .27

ATOM 315 O LYS 41 -2. 395 30 .804 19 .444 1. 00 18 .66

ATOM 316 N CYS 42 -3. 094 31 .954 17 .627 1. 00 20 .08

ATOM 317 CA CYS 42 -2. 461 31 .089 16 .640 1. 00 19 .65

ATOM 318 C CYS 42 -1. 154 31 .612 16 .059 1. 00 19 .38

ATOM 319 O CYS 42 -0. 967 32 .822 15 .922 1. 00 24 .85

ATOM 320 CB CYS 42 -3. 424 30 .847 15 .474 1. 00 17 .57

ATOM 321 SG CYS 42 -4. 871 29 .826 15 .866 1. 00 14 .39

ATOM 322 N ASN 43 -0. 264 30 .685 15 .711 1. 00 20 .82

ATOM 323 CA ASN 43 0. 999 31 .024 15 .078 1. 00 24 .99

ATOM 324 CB ASN 43 2. 166 30 .234 15 .682 1. 00 23 .25

ATOM 325 CG ASN 43 2. 553 30 .718 17 .062 1. 00 16 .80

ATOM 326 ODl ASN 43 2. 406 31 .890 17 .379 1. 00 13 .65

ATOM 327 ND2 ASN 43 3. 076 29 .818 17 .883 1. 00 14 .81

ATOM 328 C ASN 43 0. 810 30 .618 13 .624 1. 00 26 .34

ATOM 329 O ASN 43 0. 058 29 .687 13 .342 1. 00 29 .60

ATOM 330 N ALA 44 1. 494 31 .296 12 .706 1. 00 28 .65

ATOM 331 CA ALA 44 1. 351 30 .981 11 .287 1. 00 25 .87

ATOM 332 CB ALA 44 2. 088 29 .690 10 .955 1. 00 24 .31

ATOM 333 C ALA 44 -0. 144 30 .832 11 .020 1. 00 21 .33

ATOM 334 O ALA 44 -0. 601 29 .827 10 .480 1. 00 19 .33

ATOM 335 N GLU 45 -0. 897 31 .847 11 .430 1. 00 16 .30

ATOM 336 CA GLU 45 -2. 339 31 .841 11 .268 1. 00 15 .56

ATOM 337 CB GLU 45 -2. 936 33 .127 11 .802 1. 00 12 .93

ATOM 338 CG GLU 45 ^■4 . 388 33 .278 11 .461 1. 00 10 .92

ATOM 339 CD GLU 45 ^■5. 022 34 .412 12 .208 1. 00 10 .52

ATOM 340 OEl GLU 45 -5. 121 34 .298 13 .444 1. 00 8 .00

ATOM 341 OE2 GLU 45 -5. 415 35 .412 11 .564 1. 00 10 .56

ATOM 342 C GLU 45 -2. 755 31 .661 9 .832 1. 00 17 .10

ATOM 343 O GLU 45 •2. 273 32 .360 8 .948 1. 00 18 .97

ATOM 344 N LEU 46 ^■3 . 675 30 .736 9 .599 1. 00 15 .43

ATOM 345 CA LEU 46 ^■4 . 114 30 .472 8 .247 1. 00 14 .92

ATOM 346 CB LEU 46 •3. 839 29 .007 7 .914 1. 00 17 .01

ATOM 347 CG LEU 46 •2. 359 28 .621 7 .973 1. 00 18 .50

ATOM 348 CDl LEU 46 -2. 208 27 .116 7 .870 1. 00 21 .15

ATOM 349 CD2 LEU 46 •1. 614 29 .314 6 .858 1. 00 18 .16

ATOM 350 C LEU 46 •5. 576 30 .800 7 .996 1. 00 16 .01

ATOM 351 O LEU 46 989 30 .955 6 .845 1. 00 14 .98

ATOM 352 N LEU 47 356 30 .922 9 .069 1. 00 16 .77

ATOM 353 CA LEU 47 ^•7. 781 31 .206 8 .944 1. 00 15 .78

ATOM 354 CB LEU 47 8. 524 29 .891 8 .673 1. 00 15 .35 372

ATOM 355 CG LEU 47 -9 .867 29 .838 7 .940 1. .00 14 .14

ATOM 356 CDl LEU 47 -10 .886 30 .717 8 .660 1. , 00 14 .23

ATOM 357 CD2 LEU 47 -9 .681 30 .277 6 .497 1. .00 12 .20

ATOM 358 C LEU 47 -8 .273 31 .828 10 .246 1. 00 14 .14

ATOM 359 O LEU 47 -7 .790 31 .471 11 .315 1. 00 16 .06

ATOM 360 N ARG 48 -9 .238 32 .744 10 .150 1. 00 14 .58

ATOM 361 CA ARG 48 -9 .807 33 .419 11 .326 1. 00 17 .26

ATOM 362 CB ARG 48 -9 .072 34 .735 11 .569 1. 00 14 .28

ATOM 363 CG ARG 48 -8 .075 34 .700 12 .684 1. 00 7 .78

ATOM 364 CD ARG 48 -8 .620 35 .355 13 .918 1. 00 3 .88

ATOM 365 NE ARG 48 -7 .771 35 .022 15 .048 1. 00 3 .36

ATOM 366 CZ ARG 48 -8 .128 35 .149 16 .318 1. 00 1 .84

ATOM 367 NHl ARG 48 -9 .337 35 .614 16 .629 1. 00 2 .01

ATOM 368 NH2 ARG 48 -7 .272 34 .792 17 .270 1. 00 1 .19

ATOM 369 C ARG 48 -11 .298 33 .729 11 .174 1. 00 19 .29

ATOM 370 O ARG 48 -11 .716 34 .217 10 .122 1. 00 22 .23

ATOM 371 N THR 49 -12 .093 33 .456 12 .213 1. 00 18 .71

ATOM 372 CA THR 49 -13 .525 33 .765 12 .168 1. 00 16 .06

ATOM 373 CB THR 49 -14 .423 32 .552 12 .488 1. 00 16 .04

ATOM 374 OGl THR 49 -14 .285 32 .195 13 .867 1. 00 14 .04

ATOM 375 CG2 THR 49 -14 .079 31 .386 11 .594 1. 00 12 .75

ATOM 376 C THR 49 -13 .872 34 .857 13 .174 1. 00 18 .31

ATOM 377 O THR 49 -13 .004 35 .346 13 .893 1. 00 17 .43

ATOM 378 N ASP 50 -15 .147 35 .224 13 .244 1. 00 17 .51

ATOM 379 CA ASP 50 -15 .578 36 .276 14 .152 1. 00 19 .51

ATOM 380 CB ASP 50 -15 .766 37 .576 13 .373 1. 00 25 .21

ATOM 381 CG ASP 50 -17. .077 37 .606 12. .599 1. 00 29 .57

ATOM 382 ODl ASP 50 -17. .496 36 .546 12. .073 1. 00 30 .13

ATOM 383 OD2 ASP 50 -17. .689 38 .693 12 , .514 1. 00 29 .17

ATOM 384 C ASP 50 -16. .888 35 .926 14. , 844 1. 00 19 .68

ATOM 385 O ASP 50 -17. , 604 36 .816 15. ,315 1. 00 23 .70

ATOM 386 N GLY 51 -17. .210 34. .641 14. , 901 1. 00 17 .30

ATOM 387 CA GLY 51 -18. 448 34 , .241 15. ,543 1. 00 13 .61

ATOM 388 C GLY 51 -19. 491 33. .834 14. 526 1. 00 11 .87

ATOM 389 O GLY 51 -20. 366 33. .015 14. 807 1. 00 8 .24

ATOM 390 N THR 52 -19. 408 34. ,410 13. 335 1. 00 11 .49

ATOM 391 CA THR 52 -20. 354 34. ,066 12. 283 1. 00 14 .72

ATOM 392 CB THR 52 -21. 406 35. .193 12. 056 1. 00 18 .35

ATOM 393 OGl THR 52 -20. 761 36. 361 11. 529 1. 00 23 .85

ATOM 394 CG2 THR 52 -22. 098 35. 555 13. 370 1. 00 21 .43

ATOM 395 C THR 52 -19. 624 33. 784 10. 973 1. 00 15 .10

ATOM 396 O THR 52 -20. 165 33. 113 10. 107 1. 00 12 .96

ATOM 397 N ARG 53 -18. 397 34. 275 10. 824 1. 00 16 .51

ATOM 398 CA ARG 53 -17. 681 34. 026 9. 580 1. 00 15 .91

ATOM 399 CB ARG 53 -18. 320 34. 829 8. 444 1. 00 20 .56

ATOM 400 CG ARG 53 -18. 195 36. 340 8. 614 1. 00 29 .94

ATOM 401 CD ARG 53 -18. 068 37. 047 7. 279 1. 00 35 .01

ATOM 402 NE ARG 53 -16. 722 37. 579 7. 069 1. 00 37 .65

ATOM 403 CZ ARG 53 -16. 439 38. 873 6. 922 1. 00 38 .98

ATOM 404 NHl ARG 53 -17. 415 39. 781 6. 960 1. 00 38 .02

ATOM 405 NH2 ARG 53 -15. 179 39. 266 6. 746 1. 00 37 .63

ATOM 406 C ARG 53 -16. 171 34. 302 9. 562 1. 00 14 .76

ATOM 407 O ARG 53 -15. 585 34. 853 10. 501 1. 00 12 .50

ATOM 408 N ILE 54 -15. 562 33. 913 8. 450 1. 00 15 .66

ATOM 409 CA ILE 54 -14. 144 34. 102 8. 211 1. 00 16 .78

ATOM 410 CB ILE 54 -13. 733 33. 454 6. 852 1. 00 12 .51

ATOM 411 CG2 ILE 54 -12. 241 33. 608 6. 596 1. 00 7 .07 373

ATOM 412 CGl ILE 54 -14 .112 31 .975 6 .846 1 .00 7 .35

ATOM 413 CDl ILE 54 -15 .629 31 .729 6 .823 1 .00 6 .88

ATOM 414 C ILE 54 -13 .903 35 .608 8 .129 1 .00 18 .53

ATOM 415 O ILE 54 -14 .632 36 .305 7 .425 1 .00 26 .49

ATOM 416 N ILE 55 -12 .899 36 .115 8 .846 1 .00 23 .16

ATOM 417 CA ILE 55 -12 .596 37 .542 8 .790 1 .00 28 .80

ATOM 418 CB ILE 55 -12 .651 38 .217 10 .181 1 .00 23 .08

ATOM 419 CG2 ILE 55 -14 .098 38 .311 10 .646 1 .00 19 .58

ATOM 420 CGl ILE 55 -11 .770 37 .465 11 .180 1 .00 17 .14

ATOM 421 CDl ILE 55 •11 .804 38 .059 12 .567 1 .00 11 .66

ATOM 422 C ILE 55 ^■11 .233 37 .787 8 .174 1 .00 30 .16

ATOM 423 O ILE 55 ^■10 .971 38 .866 7 .651 1 .00 36 .17

ATOM 424 N SER 56 •10 .362 36 .789 8 .237 1 .00 30 .03

ATOM 425 CA SER 56 -9 .036 36 .917 7 .650 1 .00 28 .40

ATOM 426 CB SER 56 -8 .031 37 .453 8 .668 1 .00 29 .97

ATOM 427 OG SER 56 -7 .547 36 .413 9 .500 1 .00 34 .53

ATOM 428 C SER 56 -8 .586 35 .549 7 .162 1 .00 26 .44

ATOM 429 O SER 56 -9 .207 34 .528 7 .482 1 .00 22 .74

ATOM 430 N ARG 57 _ H .493 35 .523 6 .408 1 .00 20 .13

ATOM 431 CA ARG 57 -7 .005 34 .268 5 .862 1 .00 14 .79

ATOM 432 CB ARG 57 -7 .967 33 .838 4 .747 1 .00 12 .65

ATOM 433 CG ARG 57 -7 .886 32 .400 4 .331 1 .00 15 .99

ATOM 434 CD ARG 57 -9 .132 32 .020 3 .547 1 .00 17 .88

ATOM 435 NE ARG 57 -9 .225 32 .703 2 .266 1 .00 17 .33

ATOM 436 CZ ARG 57 10 .307 32 .680 1 .498 1 .00 17 .53

ATOM 437 NHl ARG 57 11 .380 32 .011 1 .899 1 .00 15 .67

ATOM 438 NH2 ARG 57 10 .310 33. ,313 0 .327 1 .00 18 .23

ATOM 439 C ARG 57 -5 .588 34. .487 5 .314 1 .00 14 .43

ATOM 440 O ARG 57 -5, .227 35, .611 4 .949 1. .00 12 .67

ATOM 441 N LYS 58 -4. .780 33. ,432 5 .272 1. .00 10 .65

ATOM 442 CA LYS 58 -3 , .428 33. ,567 4 .746 1 , .00 9 .87

ATOM 443 CB LYS 58 -2. .563 32. ,374 5, .150 1, .00 13 .02

ATOM 444 CG LYS 58 -1. .142 32. ,448 4 , .625 1. , 00 11. .26

ATOM 445 CD LYS 58 -0. .155 32. 676 5. .747 1. .00 11, .59

ATOM 446 CE LYS 58 1. ,157 33. 264 5 , .219 1. ,00 13. .49

ATOM 447 NZ LYS 58 2. 135 33. 591 6. ,304 1. 00 13. ,16

ATOM 448 C LYS 58 -3. 480 33. 666 3. 225 1. 00 12. ,18

ATOM 449 O LYS 58 -2. 693 34. 396 2. ,626 1. 00 11. ,80

ATOM 450 N SER 59 -4. 400 32. 920 2. 611 1. 00 14. 82

ATOM 451 CA SER 59 -4. 588 32. 918 1. 153 1. 00 15. 36

ATOM 452 CB SER 59 - 3 347 32. 401 0. 431 1. 00 10. 65

ATOM 453 OG SER 59 -3. 176 31. 023 0. 660 1. 00 11. 16

ATOM 454 C SER 59 -5. 775 32. 029 0. 816 1. 00 15. 37

ATOM 455 O SER 59 -6. 344 31. 399 1. 706 1. 00 18. 66

ATOM 456 N THR 60 -6. 152 31. 971 -0. 459 1. 00 16. 67

ATOM 457 CA THR 60 _ H 302 31. 160 -0. 859 1. 00 22. 15

ATOM 458 CB THR 60 -7. 842 31. 583 -2. 236 1. 00 23. 47

ATOM 459 OGl THR 60 -6. 111 31. 585 -3. 195 1. 00 24. 08

ATOM 460 CG2 THR 60 -8. 457 32. 962 -2. 153 1. 00 22. 26

ATOM 461 C THR 60 -6. 994 29. 675 -0. 886 1. 00 20. 42

ATOM 462 O THR 60 _ 7 574 28. 920 -1. 661 1. 00 24. 73

ATOM 463 N LYS 61 -6. 011 29. 259 -0. 027 1. 00 17. 36

ATOM 464 CA LYS 61 -5. 696 27. 861 0. 061 1. 00 13. 14

ATOM 465 CB LYS 61 -4. 191 27. 748 0. 327 1. 00 8. 52

ATOM 466 CG LYS 61 -3. 676 26. 325 0. 486 1. 00 4. 87

ATOM 467 CD LYS 61 -2. 255 26. 340 1. 036 1. 00 4. 33

ATOM 468 CE LYS 61 -1. 674 24. 938 1. 253 1. 00 2. 84 374

ATOM 469 NZ LYS 61 -1. .332 24 .273 -0 .032 1. 00 3 .84

ATOM 470 C LYS 61 -6. .469 27 .283 1 .229 1. 00 11 .77

ATOM 471 O LYS 61 -6. , 766 26 .090 1 .282 1. 00 9 .87

ATOM 472 N TYR 62 -6. ,811 28 .161 2 .160 1. 00 9 .91

ATOM 473 CA TYR 62 -7. .514 27 .758 3 .360 1. 00 11 .19

ATOM 474 CB TYR 62 -6. .778 28 .333 4 .582 1. 00 11 .31

ATOM 475 CG TYR 62 -5. ,295 28 .057 4 .541 1. 00 8 .00

ATOM 476 CDl TYR 62 -4. .782 26 .844 4 .986 1. 00 7 .10

ATOM 477 CEl TYR 62 -3. .428 26 .537 4 .831 1. 00 9 .64

ATOM 478 CD2 TYR 62 -4. 416 28 .967 3 .949 1. 00 7 .93

ATOM 479 CE2 TYR 62 -3. 066 28 .670 3 .788 1. 00 6 .96

ATOM 480 CZ TYR 62 -2. 579 27 .452 4 .228 1. 00 7 .89

ATOM 481 OH TYR 62 -1. 261 27 .117 4 .026 1. 00 7 .77

ATOM 482 C TYR 62 -8. 966 28 .215 3 .349 1. 00 11 .85

ATOM 483 O TYR 62 -9. 283 29 .317 2 .894 1. 00 10 .48

ATOM 484 N THR 63 -9. 853 27 .357 3 .836 1. 00 14 .10

ATOM 485 CA THR 63 -11. 251 27 .725 3 .894 1. 00 16 .18

ATOM 486 CB THR 63 -11. 928 27 .630 2 .509 1. 00 17 .00

ATOM 487 OGl THR 63 -13. 174 28 .338 2 .538 1. 00 17 .41

ATOM 488 CG2 THR 63 -12. 197 26 .178 2 .138 1. 00 17 .76

ATOM 489 C THR 63 -12. 018 26 .864 4 .880 1. 00 15 .51

ATOM 490 O THR 63 -11. 579 25 .777 5 .261 1. 00 15 .44

ATOM 491 N LEU 64 -13. 161 27 .387 5 .301 1. 00 14 .80

ATOM 492 CA LEU 64 -14. 047 26 .716 6 .223 1. 00 15 .45

ATOM 493 CB LEU 64 -14. 380 27 .648 7 .382 1. 00 12 .65

ATOM 494 CG LEU 64 -13. 735 27 .354 8 .736 1. 00 9 .93

ATOM 495 CDl LEU 64 -12. 333 26 .822 8 .550 1. 00 7 .09

ATOM 496 CD2 LEU 64 -13. 748 28 , .622 9 .570 1. 00 8 .80

ATOM 497 C LEU 64 -15. 296 26, .410 5 .419 1. 00 15 .37

ATOM 498 O LEU 64 -15. 976 27 , .321 4 .962 1. 00 18 .97

ATOM 499 N LEU 65 -15. 584 25. .125 5 .235 1. 00 16 .38

ATOM 500 CA LEU 65 -16. 748 24 , , 688 4 .471 1. 00 14 .86

ATOM 501 CB LEU 65 -16. 436 23. .373 3 .759 1. 00 12 .62

ATOM 502 CG LEU 65 -15. 248 23. ,395 2 .797 1. 00 12 .85

ATOM 503 CDl LEU 65 -15. 142 22. , 060 2 .063 1. 00 11 .06

ATOM 504 CD2 LEU 65 -15. 426 24. ,530 1 .798 1. 00 12 .90

ATOM 505 C LEU 65 -18. 006 24. 515 5 .325 1. 00 13 .15

ATOM 506 O LEU 65 -19. 125 24. 623 4 .816 1. 00 11 .94

ATOM 507 N GLY 66 -17. 826 24. 237 6 .615 1. 00 9 .80

ATOM 508 CA GLY 66 -18. 974 24. 067 7 .492 1. 00 8 .71

ATOM 509 C GLY 66 -19. 567 25. 421 7 .834 1. 00 10 .59

ATOM 510 O GLY 66 -19. 222 26. 416 7 .201 1. 00 8 .90

ATOM 511 N LYS 67 -20. 457 25. 464 8 .821 1. 00 11 .48

ATOM 512 CA LYS 67 -21. 069 26. 719 9 .243 1. 00 11 .58

ATOM 513 CB LYS 67 -22. 576 26. 543 9 .429 1. 00 16 .84

ATOM 514 CG LYS 67 -23. 363 26. 370 8 .138 1. 00 24 .64

ATOM 515 CD LYS 67 -24. 857 26. 320 8 .428 1. 00 29 .14

ATOM 516 CE LYS 67 -25. 666 25. 942 7 .195 1. 00 30 .36

ATOM 517 NZ LYS 67 -27. 104 25. 680 7 .529 1. 00 29 .52

ATOM 518 C LYS 67 -20. 441 27. 218 10 .547 1. 00 11 .48

ATOM 519 O LYS 67 -20. 555 26. 578 11 .596 1. 00 10 .14

ATOM 520 N VAL 68 -19. 794 28. 379 10 .476 1. 00 14 .71

ATOM 521 CA VAL 68 -19. 118 28. 969 11 .629 1. 00 15 .42

ATOM 522 CB VAL 68 -18. 361 30. 266 11 .227 1. 00 12 .55

ATOM 523 CGl VAL 68 -17. 677 30. 888 12 .448 1. 00 6 .52

ATOM 524 CG2 VAL 68 -17. 328 29. 954 10 .156 1. 00 8 .29

ATOM 525 C VAL 68 -20. 010 29. 283 12 .823 1. 00 19 .18 375

ATOM 526 O VAL 68 •19 .531 29 .297 13 .954 1. .00 22 .75

ATOM 527 N GLN 69 •21 .295 29 .541 12 .589 1 _c .00 28 .69

ATOM 528 CA GLN 69 ^■22 .197 29 .862 13 .695 1. , 00 35 .67

ATOM 529 CB GLN 69 •23 .401 30 .670 13 .205 1, .00 38 .73

ATOM 530 CG GLN 69 ^■24 .178 30 .026 12 .078 1. , 00 41 .43

ATOM 531 CD GLN 69 ^■23 .556 30 .282 10 .721 1. , 00 43 .17

ATOM 532 OEl GLN 69 •24 .108 29 .887 9 .692 1. .00 44 .12

ATOM 533 NE2 GLN 69 ^•22 .403 30 .952 10 .708 1. 00 43 .52

ATOM 534 C GLN 69 •22 .685 28 .615 14 .425 1. 00 36 .48

ATOM 535 O GLN 69 23 .372 28 .699 15 .445 1. 00 40 .37

ATOM 536 N PHE 70 22 .322 27 .452 13 .902 1. 00 36 .01

ATOM 537 CA PHE 70 22 .732 26 .208 14 .519 1. 00 33 .67

ATOM 538 CB PHE 70 2 ∞3 .604 25 .405 13 .554 1. 00 32 .59

ATOM 539 CG PHE 70 24 .854 26 .124 13 .140 1. 00 30 .55

ATOM 540 CDl PHE 70 25 .642 26 .772 14 .087 1. 00 29 .51

ATOM 541 CD2 PHE 70 25 .245 26 .159 11 .811 1. 00 29 .91

ATOM 542 CEl PHE 70 26 .804 27 .441 13 .720 1. 00 27 .26

ATOM 543 CE2 PHE 70 26 .410 26 .827 11 .430 1. 00 30 .02

ATOM 544 CZ PHE 70 27 .189 27 .473 12 .390 1. 00 28 .89

ATOM 545 C PHE 70 21 .536 25 .390 14 .969 1. 00 33 .24

ATOM 546 O PHE 70 21 .635 24 .173 15 .139 1. 00 32 .91

ATOM 547 N GLY 71 20 .406 26 .070 15 .153 1. 00 30 .66

ATOM 548 CA GLY 71 19 .194 25 .416 15 .617 1. 00 28 .70

ATOM 549 C GLY 71 18 .475 24 .475 14 .671 1. 00 27 .23

ATOM 550 O GLY 71 17 .549 23 .781 15 .079 1. 00 20 .53

ATOM 551 N GLU 72 18 .900 24 .429 13 .416 1. 00 30 .39

ATOM 552 CA GLU 72 18 .245 23 .563 12 .447 1. 00 36 .00

ATOM 553 CB GLU 72 19 .255 23 .064 11 .414 1. 00 41 .41

ATOM 554 CG GLU 72 20 .156 21 .957 11 .936 1. 00 49 .21

ATOM 555 CD GLU 72 19 .378 20 .848 12 .653 1. 00 53 .27

ATOM 556 OEl GLU 72 18 .250 20 .523 12 .219 1. 00 53 .63

ATOM 557 OE2 GLU 72 19 .899 20 .293 13 .646 1. 00 53 .34

ATOM 558 C GLU 72 17 .107 24 .328 11 .779 1. 00 33 .11

ATOM 559 O GLU 72 17 .254 24 .884 10 .690 1. 00 38 .35

ATOM 560 N VAL 73 15 .966 24 .350 12 .459 1. 00 28 .54

ATOM 561 CA VAL 73 14 .790 25 .058 11 .983 1. 00 25 .83

ATOM 562 CB VAL 73 14 .332 26 .094 13 .021 1. 00 19 .68

ATOM 563 CGl VAL 73 15 .319 27 .233 13 .065 1. 00 10 .94

ATOM 564 CG2 VAL 73 14 .227 25 .445 14 .396 1. 00 8 .37

ATOM 565 C VAL 73 13 .633 24 .130 11 .656 1. 00 23 .48

ATOM 566 O VAL 73 12 .540 24 .258 12 .204 1. 00 24 .55

ATOM 567 N SER 74 13 .879 23 .198 10 .748 1. 00 19 .38

ATOM 568 CA SER 74 12 .850 22 .258 10 .350 1. 00 13 .23

ATOM 569 CB SER 74 13 .485 20 .939 9 .927 1. 00 10 .09

ATOM 570 OG SER 74 14 .484 20 .548 10 .852 1. 00 9 .15

ATOM 571 C SER 74 12 .091 22 .864 9 .190 1. 00 13 .34

ATOM 572 O SER 74 12 .683 23 .247 8 .191 1. 00 10 .04

ATOM 573 N LEU 75 10 .776 22 .958 9 .323 1. 00 16 .30

ATOM 574 CA LEU 75 -9 .959 23 .531 8 .264 1. 00 19 .06

ATOM 575 CB LEU 75 .526 23 .742 8 .744 1. 00 18 .50

ATOM 576 CG LEU 75 -7 .630 24 .407 7 .699 1. 00 17 .65

ATOM 577 CDl LEU 75 -8 .094 25 .830 7 .498 1. 00 18 .25

ATOM 578 CD2 LEU 75 -6 .180 24 .387 8 .145 1. 00 16 .91

ATOM 579 C LEU 75 -9 .937 22 .651 7 .022 1. 00 20 .32

ATOM 580 O LEU 75 -9 .891 21 .422 7 .106 1. 00 27 .87

ATOM 581 N THR 76 -9. .967 23 .294 5 .864 1. 00 21 .99

ATOM 582 CA THR 76 -9. .940 22 .586 4 .593 1. 00 22 .84 376

ATOM 583 CB THR 76 -11 .289 22 .774 3 .810 1 .00 20 .91

ATOM 584 OGl THR 76 -12 .405 22 .540 4 .685 1 .00 14 .66

ATOM 585 CG2 THR 76 -11 .376 21 .806 2 .640 1 .00 13 .97

ATOM 586 C THR 76 -8 .801 23 .221 3 .792 1 .00 21 .17

ATOM 587 O THR 76 -8 .896 24 .387 3 .408 1 .00 24 .97

ATOM 588 N ILE 77 -7 .717 22 .482 3 .570 1 .00 15 .19

ATOM 589 CA ILE 77 -6 .601 23 .008 2 .794 1 .00 8 .89

ATOM 590 CB ILE 77 -5 .225 22 .578 3 .408 1 .00 9 .01

ATOM 591 CG2 ILE 77 -4 .104 23 .457 2 .856 1 .00 2 .46

ATOM 592 CGl ILE 77 -5 .245 22 .743 4 .937 1 .00 6 .04

ATOM 593 CDl ILE 77 -3 .947 22 .369 5 .637 1 .00 4 .04

ATOM 594 C ILE 77 -6 .739 22 .462 1 .367 1 .00 10 .20

ATOM 595 O ILE 77 -6 .835 21 .260 1 .166 1 .00 6 .26

ATOM 596 N SER 78 -6 .803 23 .353 0 .383 1 .00 12 .41

ATOM 597 CA SER 78 -6 .907 22 .971 -1 .034 1 .00 14 .14

ATOM 598 CB SER 78 -7 .333 24 .181 -1 .837 1 .00 15 .94

ATOM 599 OG SER 78 ~ V .644 25 .216 -0 .929 1 .00 18 .38

ATOM 600 C SER 78 ~ 5 .517 22 .570 -1 .476 1 .00 15 .04

ATOM 601 O SER 78 -4 .582 22 .820 -0 .741 1 .00 15 .95

ATOM 602 N ASN 79 -5 .398 21 .990 -2 .677 1 .00 18 .94

ATOM 603 CA ASN 79 -4 .118 21 .551 -3 .262 1 .00 20 .01

ATOM 604 CB ASN 79 -3 .518 22 .635 -4 .167 1 .00 21 .53

ATOM 605 CG ASN 79 -3 .160 22 .129 -5 .563 1 .00 22 .67

ATOM 606 ODl ASN 79 -2 .558 22 .856 -6 .367 1 .00 25 .20

ATOM 607 ND2 ASN 79 -3 .543 20 .891 - 5 .864 1 .00 21 .45

ATOM 608 C ASN 79 -3 .149 21 .370 -2 .137 1 .00 20 .07

ATOM 609 O ASN 79 _ 2 .716 22 .354 -1 .557 1 .00 19 .07

ATOM 610 N THR 80 -2 .780 20 .153 -1 .796 1 .00 21 .83

ATOM 611 CA THR 80 -1 .827 20 .036 -0 .710 1 .00 20 .06

ATOM 612 CB THR 80 -2 .271 18 .999 0 .266 1 .00 21 .84

ATOM 613 OGl THR 80 -2 .484 17 .784 -0 .452 1 .00 24 .61

ATOM 614 CG2 THR 80 .570 19 .431 0 .957 1 .00 24 .70

ATOM 615 C THR 80 -0 .496 19 .627 -1 .294 1 .00 20 .34

ATOM 616 O THR 80 -0 .432 19 .057 -2 .381 1 .00 18 .74

ATOM 617 N ASN 81 0 .577 19 .951 -0 .594 1 .00 20 .05

ATOM 618 CA ASN 81 1 .880 19 .567 -1 .073 1 .00 19 .81

ATOM 619 CB ASN 81 2 .551 20 .721 -1 .838 1 .00 14 .23

ATOM 620 CG ASN 81 2 .588 22 .007 -1 .054 1 .00 10 .97

ATOM 621 ODl ASN 81 3 .176 22 .068 0 .023 1 .00 10 .77

ATOM 622 ND2 ASN 81 1 .964 23 .055 -1 .593 1 .00 7 .97

ATOM 623 C ASN 81 2 .655 19 .160 0 .155 1 .00 21 .95

ATOM 624 O ASN 81 2 .323 19 .573 1 .268 1 .00 22 .83

ATOM 625 N ARG 82 3 .662 18 .319 -0 .053 1 .00 29 .85

ATOM 626 CA ARG 82 4 .498 17 .814 1 .026 1 .00 34 .48

ATOM 627 CB ARG 82 5 .772 17 .194 0 .453 1 .00 34 .91

ATOM 628 CG ARG 82 5 .571 15 .849 -0 .241 1 .00 36 .59

ATOM 629 CD ARG 82 6 .914 15 .167 -0 .501 1 .00 37 .53

ATOM 630 NE ARG 82 6 .784 13 .864 -1 .156 1 .00 38 .44

ATOM 631 CZ ARG 82 6 .811 13 .674 -2 .472 1 .00 37 .61

ATOM 632 NHl ARG 82 6 .965 14 .705 -3 .293 1 .00 36 .79

ATOM 633 NH2 ARG 82 6 .687 12 .450 -2 .966 1 .00 37 .13

ATOM 634 C ARG 82 4 .869 18 .862 2 .067 1 .00 36 .13

ATOM 635 O ARG 82 5 .191 18 .531 3 .208 1 .00 39 .42

ATOM 636 N GLY 83 4 .818 20 .129 1 .679 1 .00 37 .88

ATOM 637 CA GLY 83 5 .166 21 .184 2 .606 1 .00 38 .31

ATOM 638 C GLY 83 4 .136 21 .412 3 .687 1 .00 36 .63

ATOM 639 O GLY 83 4 .460 21 .951 4 .744 1 .00 40 .40 377

ATOM 640 N ASP 84 2 .898 20. .998 3 .437 1 .00 32 .01

ATOM 641 CA ASP 84 1 .821 21. .197 4 .405 1 .00 24 .72

ATOM 642 CB ASP 84 0 .481 21. .305 3 .680 1 .00 23 .00

ATOM 643 CG ASP 84 0 .357 22. ,584 2 .878 1 .00 21 .24

ATOM 644 ODl ASP 84 0 .378 23. , 664 3 .504 1 .00 21 .56

ATOM 645 OD2 ASP 84 0 .240 22. ,510 1 .630 1 .00 19 .60

ATOM 646 C ASP 84 1 .714 20. ,145 5 .500 1 .00 21 .04

ATOM 647 O ASP 84 0 .769 20. ,160 6 .278 1 .00 17 .13

ATOM 648 N SER 85 2 .672 19. ,230 5 .570 1 .00 16 .20

ATOM 649 CA SER 85 2 .635 18. 205 6 .607 1 .00 10 .99

ATOM 650 CB SER 85 3 .762 17. 207 6 .400 1 .00 9 .86

ATOM 651 OG SER 85 3 .647 16. 623 5 .119 1 .00 11 .23

ATOM 652 C SER 85 2 .801 18. 862 7 .961 1 .00 8 .71

ATOM 653 O SER 85 2 .938 20. 076 8 .052 1 .00 7 .59

ATOM 654 N GLY 86 2 .775 18. 063 9 .018 1 .00 7 .81

ATOM 655 CA GLY 86 2 .970 18. 619 10 .338 1 .00 9 .99

ATOM 656 C GLY 86 1 .767 18. 803 11 .232 1 .00 11 .56

ATOM 657 O GLY 86 0 .655 18. 354 10 .948 1 .00 13 .44

ATOM 658 N VAL 87 2 .017 19. 489 12 .337 1 .00 12 .64

ATOM 659 CA VAL 87 0 .999 19. 760 13 .330 1 .00 12 .61

ATOM 660 CB VAL 87 1 .621 19. 769 14 .711 1 .00 8 .57

ATOM 661 CGl VAL 87 0 .556 19. 904 15 .772 1 .00 5 .10

ATOM 662 CG2 VAL 87 2 .410 18. 516 14 .893 1, .00 8 .16

ATOM 663 C VAL 87 0 .317 21. 101 13 .123 1 .00 13 .17

ATOM 664 O VAL 87 0 .983 22. 130 12 .973 1. .00 15 .16

ATOM 665 N TYR 88 .011 21. 084 13 .103 1. .00 16 .23

ATOM 666 CA TYR 88 -1 .776 22. 315 12 .968 1. .00 18 .63

ATOM 667 CB TYR 88 -2 .770 22. 228 11 .815 1. ,00 14 .68

ATOM 668 CG TYR 88 -2 .126 22. 224 10 .450 1. ,00 13 .91

ATOM 669 CDl TYR 88 -1 .442 21. 103 9 .976 1. ,00 12 .51

ATOM 670 CEl TYR 88 -0 .889 21. 088 8 .691 1. 00 11 .61

ATOM 671 CD2 TYR 88 _ 2 .234 23. 331 9 .610 1. 00 12 .22

ATOM 672 CE2 TYR 88 -1 .684 23. 325 8 .331 1. 00 12 .98

ATOM 673 CZ TYR 88 -1 .018 22. 205 7 .876 1. 00 11 .31

ATOM 674 OH TYR 88 -0 .497 22. 214 6 .600 1. 00 12 .24

ATOM 675 C TYR 88 -2 .509 22. 547 14 .285 1. 00 21 .64

ATOM 676 O TYR 88 -2 .777 21. 608 15 .036 1. 00 21 .77

ATOM 677 N CYS 89 - 2 .824 23. 800 14 .572 1. 00 27 .15

ATOM 678 CA CYS 89 -3 .500 24. 125 15 .816 1. 00 31 .04

ATOM 679 C CYS 89 -4 .879 24. 743 15 .614 1. 00 32 .59

ATOM 680 O CYS 89 -5 .022 25. 745 14 .912 1. 00 28 .37

ATOM 681 CB CYS 89 -2 .623 25. 077 16 .646 1. 00 33 .69

ATOM 682 SG CYS 89 -3 .555 26. 006 17 .906 1. 00 34 .12

ATOM 683 N CYS 90 -5 .893 24. 126 16 .218 1. 00 30 .93

ATOM 684 CA CYS 90 -7 .251 24. 648 16 .141 1. 00 27 .85

ATOM 685 C CYS 90 -7 .564 25. 202 17 .521 1. 00 27 .17

ATOM 686 O CYS 90 _ n .723 24. 441 18 .475 1. 00 24 .50

ATOM 687 CB CYS 90 -8 .272 23. 557 15 .784 1. 00 28 .44

ATOM 688 SG CYS 90 -9 .947 24. 231 15 .460 1. 00 27 .09

ATOM 689 N ARG 91 -7 .629 26. 528 17 .625 1. 00 24 .71

ATOM 690 CA ARG 91 -7 .913 27. 183 18 .900 1. 00 21 .28

ATOM 691 CB ARG 91 -6 .839 28. 228 19 .214 1. 00 18 .03

ATOM 692 CG ARG 91 -6 .973 28. 867 20 .587 1. 00 15 .01

ATOM 693 CD ARG 91 -6 .310 30. 231 20 .636 1. 00 11 .19

ATOM 694 NE ARG 91 -5 .860 30. 568 21 .986 1. 00 12 .23

ATOM 695 CZ ARG 91 -4 .681 30. 210 22 .492 1. 00 12 .89

ATOM 696 NHl ARG 91 -3 .826 29. 506 21 .759 1. 00 12 .75 378

ATOM 697 NH2 ARG 91 -4 .352 30 .556 23 .729 1 .00 11 .80

ATOM 698 C ARG 91 -9 .271 27 .870 18 .885 1 .00 23 .06

ATOM 699 O ARG 91 -9 .489 28 .822 18 .140 1 .00 20 .98

ATOM 700 N ILE 92 •10 .190 27 .384 19 .706 1 .00 26 .56

ATOM 701 CA ILE 92 •11 .500 27 .995 19 .773 1 .00 29 .45

ATOM 702 CB ILE 92 ^■12 .594 26 .935 19 .938 1 .00 32 .48

ATOM 703 CG2 ILE 92 ^■13 .926 27 .589 20 .250 1 .00 34 .07

ATOM 704 CGl ILE 92 12 .703 26 .143 18 .637 1 .00 34 .15

ATOM 705 CDl ILE 92 13 .601 24 .948 18 .714 1 .00 38 .05

ATOM 706 C ILE 92 ^•11 .482 28 .975 20 .932 1 .00 29 .17

ATOM 707 O ILE 92 ^■11 .359 28 .599 22 .094 1 .00 31 .24

ATOM 708 N GLU 93 ^■11 .597 30 .247 20 .589 1 .00 29 .57

ATOM 709 CA GLU 93 ^•11 .542 31 .305 21 .570 1 .00 28 .55

ATOM 710 CB GLU 93 11 .187 32 .614 20 .874 1 .00 25 .09

ATOM 711 CG GLU 93 10 .068 32 .450 19 .880 1 .00 16 .26

ATOM 712 CD GLU 93 -9 .508 33 .759 19 .408 1 .00 12 .96

ATOM 713 OEl GLU 93 10 .253 34 .545 18 .789 1 .00 12 .02

ATOM 714 OE2 GLU 93 -8 .309 33 .998 19 .661 1 .00 14 .18

ATOM 715 C GLU 93 12 .783 31 .487 22 .417 1 .00 30 .33

ATOM 716 O GLU 93 13 .857 31 .836 21 .927 1 .00 33 .98

ATOM 717 N VAL 94 12 .605 31 .230 23 .706 1 .00 35 .68

ATOM 718 CA VAL 94 13 .642 31 .384 24 .713 1 .00 32 .22

ATOM 719 CB VAL 94 13 .763 30 .126 25 .593 1 .00 30 .67

ATOM 720 CGl VAL 94 14 .783 30 .365 26 .694 1 .00 23 .52

ATOM 721 CG2 VAL 94 14 .151 28 .918 24 .736 1 .00 23 .05

ATOM 722 C VAL 94 13 .059 32 .513 25 .540 1. .00 31 .80

ATOM 723 O VAL 94 11 .882 32 .480 25, .876 1, .00 43 .03

ATOM 724 N PRO 95 13 .866 33 .529 25 .877 1. .00 46 .63

ATOM 725 CD PRO 95 15 .323 33. .568 25 , .703 1. .00 46 .17

ATOM 726 CA PRO 95 13 .400 34 , .679 26. .668 1. .00 49. .31

ATOM 727 CB PRO 95 14 .481 35. .737 26. ,445 1. , 00 49 , .24

ATOM 728 CG PRO 95 15 .596 35, , 035 25. ,674 1. ,00 45. , 14

ATOM 729 C PRO 95 13 .140 34. ,472 28. 158 1. 00 50. , 06

ATOM 730 O PRO 95 13 .773 33. 652 28. 811 1. 00 63. ,28

ATOM 731 N GLY 96 12. .245 35. 285 28. 695 1. 00 55. 21

ATOM 732 CA GLY 96 11. .884 35. 179 30. 088 1. 00 50. 53

ATOM 733 C GLY 96 10. .429 34. 834 29. 953 1. 00 48. 40

ATOM 734 O GLY 96 -9. .828 35. 168 28. 939 1. 00 42. 60

ATOM 735 N TRP 97 -9. ,847 34. 192 30. 948 1. 00 45. 94

ATOM 736 CA TRP 97 -8. ,462 33. 801 30. 830 1. 00 46. 93

ATOM 737 CB TRP 97 -7. 567 34. 659 31. 748 1. 00 52. 26

ATOM 738 CG TRP 97 -7. 455 36. 090 31. 264 1. 00 60. 99

ATOM 739 CD2 TRP 97 -6. 395 36. 650 30. 470 1. 00 63. 53

ATOM 740 CE2 TRP 97 -6. 774 37. 973 30. 147 1. 00 64. 68

ATOM 741 CE3 TRP 97 -5. 174 36. 157 29. 991 1. 00 64. 08

ATOM 742 CDl TRP 97 -8. 395 37. 078 31. 396 1. 00 62. 92

ATOM 743 NEl TRP 97 -7. 991 38. 208 30. 726 1. 00 64. 42

ATOM 744 CZ2 TRP 97 - 5 966 38. 813 29. 371 1. 00 64. 67

ATOM 745 CZ3 TRP 97 -4. 370 36. 997 29. 216 1. 00 65. 15

ATOM 746 CH2 TRP 97 -4. 776 38. 309 28. 912 1. 00 64. 91

ATOM 747 C TRP 97 -8. 430 32. 342 31. 211 1. 00 45. 61

ATOM 748 O TRP 97 -9. 085 31. 942 32. 192 1. 00 46. 19

ATOM 749 N PHE 98 -7. 756 31. 547 30. 378 1. 00 42. 55

ATOM 750 CA PHE 98 -7. 581 30. 121 30. 621 1. 00 40. 59

ATOM 751 CB PHE 98 -7. 310 29. 909 32. 120 1. 00 39. 70

ATOM 752 CG PHE 98 -6. 149 30. 763 32. 672 1. 00 36. 18

ATOM 753 CDl PHE 98 -6. 375 31. 897 33. 479 1. 00 34. 15 379

ATOM 754 CD2 PHE 98 -4 .835 30 .491 32 .289 1. 00 33 .97

ATOM 755 CEl PHE 98 -5 .307 32 .729 33 .887 1. 00 31 .78

ATOM 756 CE2 PHE 98 -3 .764 31 .312 32 .689 1. 00 32 .57

ATOM 757 CZ PHE 98 -3 .998 32 .435 33 .482 1. 00 31 .95

ATOM 758 C PHE 98 .702 29 .135 30 .120 1. 00 39 .75

ATOM 759 O PHE 98 -8 .514 27 .930 30 .163 1. 00 44 .68

ATOM 760 N ASN 99 -9 .842 29 .619 29 .620 1. 00 33 .08

ATOM 761 CA ASN 99 -10 .897 28 .717 29 .169 1. 00 29 .61

ATOM 762 CB ASN 99 -12 .292 29 .357 29 .212 1. 00 26 .07

ATOM 763 CG ASN 99 -12 .267 30 .790 29 .647 1. 00 20 .79

ATOM 764 ODl ASN 99 -11 .754 31 .117 30 .724 1. 00 19 .20

ATOM 765 ND2 ASN 99 -12 .867 31 .649 28 .863 1. 00 16 .62

ATOM 766 C ASN 99 -10 .744 28 .044 27 .826 1. 00 30 .82

ATOM 767 O ASN 99 -11 .115 26 .860 27 .694 1. 00 27 .98

ATOM 768 N ASP 100 -10 .161 28 .748 26 .868 1. 00 25 .33

ATOM 769 CA ASP 100 -9 .903 28 .304 25 .515 1. 00 22 .25

ATOM 770 CB ASP 100 -8 .686 29 .084 25 .038 1. 00 29 .94

ATOM 771 CG ASP 100 -9 .019 30 .452 24 .463 1. 00 39 .73

ATOM 772 ODl ASP 100 -9 .761 31 .148 25 .154 1. 00 45 .90

ATOM 773 OD2 ASP 100 -8 .476 30 .867 23 .407 1. 00 45 .56

ATOM 774 C ASP 100 -9 .669 26 .803 25 .208 1. 00 19 .55

ATOM 775 O ASP 100 .966 26 .091 25 .964 1. 00 12 .77

ATOM 776 N VAL 101 -10 .159 26 .360 24 .044 1. 00 14 .64

ATOM 111 CA VAL 101 -9 .967 24 .979 23 .637 1. 00 13 .09

ATOM 778 CB VAL 101 -11 .278 24 .314 23 .199 1. 00 11 .05

ATOM 779 CGl VAL 101 -11 .137 22 .799 23 .292 1. 00 13 .36

ATOM 780 CG2 VAL 101 -12 .421 24 .777 24 .046 1. 00 14 .40

ATOM 781 C VAL 101 -8 .948 24 .801 22 .509 1. 00 12 .27

ATOM 782 O VAL 101 -9 .270 24 .963 21 .327 1. 00 14 .23

ATOM 783 N LYS 102 -7 .736 24 .397 22 .891 1. 00 14 .60

ATOM 784 CA LYS 102 -6 .645 24 .177 21 .946 1. 00 13 .13

ATOM 785 CB LYS 102 -5 .315 24 .593 22 .587 1. 00 10 .04

ATOM 786 CG LYS 102 -5 .309 25 .998 23 .158 1. 00 2 .56

ATOM 787 CD LYS 102 -4 .799 26 .000 24 .580 1. 00 3 .04

ATOM 788 CE LYS 102 .289 25 .862 24 .645 1. 00 4 .12

ATOM 789 NZ LYS 102 -2 .793 25 .525 26 .024 1. 00 3 .50

ATOM 790 C LYS 102 -6 .577 22 .717 21 .522 1. 00 12 .97

ATOM 791 O LYS 102 -6 .614 21 .825 22 .354 1. 00 14 .44

ATOM 792 N LYS 103 -6 .467 22 .481 20 .222 1. 00 17 .95

ATOM 793 CA LYS 103 -6 .398 21 .123 19 .706 1. 00 19 .84

ATOM 794 CB LYS 103 -7 .750 20 .728 19 .131 1. 00 16 .08

ATOM 795 CG LYS 103 -7 .722 19 .471 18 .291 1. 00 11 .34

ATOM 796 CD LYS 103 -9 .073 19 .250 17 .640 1. 00 9 .68

ATOM 797 CE LYS 103 -9 .094 17 .973 16 .825 1. 00 10 .29

ATOM 798 NZ LYS 103 -10 .351 17 .837 16 .058 1. 00 10 .22

ATOM 799 C LYS 103 -5 .339 21 .002 18 .625 1. 00 22 .61

ATOM 800 O LYS 103 -5 .444 21 .633 17 .574 1. 00 25 .92

ATOM 801 N ASN 104 -4 .315 20 .196 18 .877 1. 00 27 .06

ATOM 802 CA ASN 104 -3 .260 20 .020 17 .891 1. 00 31 .70

ATOM 803 CB ASN 104 - 1 .923 19 .719 18 .581 1. 00 34 .11

ATOM 804 CG ASN 104 -1 .451 20 .858 19 .469 1. 00 36 .21

ATOM 805 ODl ASN 104 -1 .266 21 .982 19 .012 1. 00 37 .40

ATOM 806 ND2 ASN 104 -1 .250 20 .567 20 .747 1. 00 38 .07

ATOM 807 C ASN 104 -3 .638 18 .884 16 .946 1. 00 33 .11

ATOM 808 O ASN 104 -4 .069 17 .814 17 .386 1. 00 35 .41

ATOM 809 N VAL 105 -3 .491 19 .126 15 .646 1. 00 31 .17

ATOM 810 CA VAL 105 -3 .823 18 .121 14 .642 1. 00 28 .20 380

ATOM 811 CB VAL 105 -5 .067 18 .527 13 .829 1 .00 27 .81

ATOM 812 CGl VAL 105 -5 .301 17 .522 12 .711 1 .00 29 .14

ATOM 813 CG2 VAL 105 -6 .279 18 .592 14 .732 1 .00 28 .52

ATOM 814 C VAL 105 -2 .677 17 .876 13 .669 1 .00 27 .56

ATOM 815 O VAL 105 -2 .178 18 .804 13 .031 1 .00 24 .73

ATOM 816 N ARG 106 -2 .274 16 .615 13 .559 1 .00 25 .60

ATOM 817 CA ARG 106 -1 .193 16 .213 12 .669 1 .00 21 .54

ATOM 818 CB ARG 106 -0 .515 14 .963 13 .222 1 .00 27 .86

ATOM 819 CG ARG 106 0 .467 14 .318 12 .263 1 .00 40 .15

ATOM 820 CD ARG 106 1 .880 14 .388 12 .801 1 .00 45 .23

ATOM 821 NE ARG 106 2 .847 14 .658 11 .742 1 .00 47 .82

ATOM 822 CZ ARG 106 4 .048 15 .187 11 .954 1 .00 48 .37

ATOM 823 NHl ARG 106 4 .423 15 .497 13 .191 1 .00 47 .65

ATOM 824 NH2 ARG 106 4 .868 15 .418 10 .935 1 .00 48 .08

ATOM 825 C ARG 106 -1 .704 15 .929 11 .256 1 .00 18 .07

ATOM 826 O ARG 106 -2 .836 15 .489 11 .072 1 .00 12 .71

ATOM 827 N LEU 107 -0 .872 16 .170 10 .253 1 .00 13 .29

ATOM 828 CA LEU 107 -1 .301 15 .916 8 .890 1 .00 10 .83

ATOM 829 CB LEU 107 -1 .740 17 .215 8 .210 1 .00 6 .20

ATOM 830 CG LEU 107 _ o .182 17 .024 6 .755 1 .00 4 .71

ATOM 831 CDl LEU 1.07 -3 .483 16 .246 6 .721 1 .00 3 .43

ATOM 832 CD2 LEU 107 -2 .342 18 .364 6 .074 1 .00 6 .05

ATOM 833 C LEU 107 -0 .249 15 .238 8 .026 1 .00 15 .71

ATOM 834 O LEU 107 0. .754 15 .846 7 .657 1 .00 7 .99

ATOM 835 N GLU 108 -0. .490 13 .973 7 .705 1 .00 26 .13

ATOM 836 CA GLU 108 0, .406 13 .221 6 .846 1, .00 31 .68

ATOM 837 CB GLU 108 0 , .423 11, .738 7. .215 1. .00 47. .14

ATOM 838 CG GLU 108 1. ,179 11, .376 8 , ,473 1, ,00 73. .18

ATOM 839 CD GLU 108 2. .022 10 , ,131 8 , , 277 1, , 00 84. .86

ATOM 840 OEl GLU 108 1. ,554 9, .200 7 , .582 1, .00 89. .09

ATOM 841 OE2 GLU 108 3. , 149 10. ,081 8. , 817 1. , 00 88. .08

ATOM 842 C GLU 108 -0. ,148 13 , ,358 5. ,440 1. .00 30. .25

ATOM 843 O GLU 108 -1. 358 13. .297 5. 238 1. 00 25. .70

ATOM 844 N LEU 109 0. 735 13. 542 4. 471 1. 00 31. 45

ATOM 845 CA LEU 109 0. 319 13. 670 3. 090 1. 00 28. 99

ATOM 846 CB LEU 109 0. 620 15. 088 2. 577 1. 00 31. 27

ATOM 847 CG LEU 109 -0. 096 16. 222 3. 327 1. 00 35. 89

ATOM 848 CDl LEU 109 0. 336 17. 569 2. 782 1. 00 38. 07

ATOM 849 CD2 LEU 109 -1. 606 16. 054 3. 195 1. 00 38. 02

ATOM 850 C LEU 109 1. 095 12. 629 2. 307 1. 00 29. 64

ATOM 851 O LEU 109 2. 315 12. 649 2. 305 1. 00 28. 43

ATOM 852 N ARG 110 0. 385 11. 711 1. 658 1. 00 35. 78

ATOM 853 CA ARG 110 1. 020 10. 650 0. 877 1. 00 39. 62

ATOM 854 CB ARG 110 0. 492 9. 287 1. 316 1. 00 44. 93

ATOM 855 CG ARG 110 0. 835 8. 906 2. 727 1. 00 54. 86

ATOM 856 CD ARG 110 0. 221 7. 566 3. 046 1. 00 60. 56

ATOM 857 NE ARG 110 0. 414 7. 186 4. 440 1. 00 62. 19

ATOM 858 CZ ARG 110 122 6. 105 4. 993 1. 00 61. 72

ATOM 859 NHl ARG 110 885 5. 296 4. 268 1. 00 61. 05

ATOM 860 NH2 ARG 110 0. 100 5. 837 6. 270 1. 00 61. 64

ATOM 861 C ARG 110 0. 824 10. 766 -0. 632 1. 00 39. 55

ATOM 862 O ARG 110 0. 094 11. 631 -1. 122 1. 00 39. 03

ATOM 863 N ARG 111 1. 494 9. 870 -1. 353 1. 00 43. 76

ATOM 864 CA ARG 111 1. 412 9. 786 -2. 804 1. 00 43. 92

ATOM 865 CB ARG 111 2. 813 9. 755 -3. 402 1. 00 40. 27

ATOM 866 CG ARG 111 3. 328 11. 141 -3. 708 1. 00 37. 79

ATOM 867 CD ARG 111 2. 772 11. 644 -5. 030 1. 00 37. 55 381

ATOM 868 NE ARG 111 2 .649 13 .102 -5 .053 1 , .00 37 .33

ATOM 869 CZ ARG 111 2 .181 13 .801 -6 .084 1. , 00 37 .34

ATOM 870 NHl ARG 111 1 .794 13 .182 -7 .196 1. ,00 37 .60

ATOM 871 NH2 ARG 111 2 .073 15 .119 -5 .994 1. 00 36 .04

ATOM 872 C ARG 111 0 .641 8 .507 -3 .164 1. , 00 45 .58

ATOM 873 O ARG 111 0 .429 7 .644 -2 .317 1. ,00 48 .94

ATOM 874 N ALA 112 0 .179 8 .396 -4 .405 1. 00 53 .28

ATOM 875 CA ALA 112 -0 .559 7 .199 -4 .808 1. 00 59 .96

ATOM 876 CB ALA 112 -1 .986 7 .571 -5 .241 1. 00 59 .63

ATOM 877 C ALA 112 0 .167 6 .425 -5 .918 1. 00 62 .82

ATOM 878 O ALA 112 1 .395 6 .429 -5 .987 1. 00 68 .63

ATOM 879 N LEU 113 -0 .584 5 .755 -6 .789 1. 00 67 .74

ATOM 880 CA LEU 113 0 .052 5 .007 -7 .891 1. 00 70 .39

ATOM 881 CB LEU 113 -0 .924 4 .074 -8 .605 1. 00 65 .07

ATOM 882 CG LEU 113 -2 .254 4 .530 -9 .230 1. 00 58 .17

ATOM 883 CDl LEU 113 -3 .360 3 .861 -8 .452 1. 00 55 .02

ATOM 884 CD2 LEU 113 -2 .389 6 .050 -9 .199 1. 00 55 .28

ATOM 885 C LEU 113 0 .563 5 .997 -8 .937 1. 00 71 .41

ATOM 886 O LEU 113 0 .092 5 .993 -10 .081 1. 00 75 .11

ATOM 887 N VAL 114 1 .585 6 .782 -8 .607 1. 00 73 .29

ATOM 888 CA VAL 114 2 .010 7 .805 -9 .560 1. 00 67 .25

ATOM 889 CB VAL 114 1 .855 9 .175 .944 1. 00 74 .85

ATOM 890 CGl VAL 114 1 .506 10 .142 -10 .052 1. 00 69 .33

ATOM 891 CG2 VAL 114 0 .808 9 .099 -7 .891 1. 00 69 .26

ATOM 892 C VAL 114 3 .324 7 .771 -10 .320 1. 00 62 .26

ATOM 893 O VAL 114 3 .529 8 .622 -11 .190 1. 00 71 .98

ATOM 894 N PRO 115 3 .197 7 .282 -11 .668 1. 00 39 .52

ATOM 895 CD PRO 115 4 .113 6 .932 -10 .580 1. 00 52 .66

ATOM 896 CA PRO 115 3 .606 6 .379 -12 .949 1. 00 39 .52

ATOM 897 CB PRO 115 4 .068 5 .141 -12 .185 1. 00 52 .66

ATOM 898 CG PRO 115 4 .695 5 .603 -10 .944 1. 00 52 .66

ATOM 899 C PRO 115 3 .092 5 .843 -14 .390 1. 00 39 .52

ATOM 900 O PRO 115 2 .004 6 .060 -14 .934 1. 00 39 .52

ATOM 901 N ARG 116 3 .683 5 .461 -15 .140 1. 00 43 .78

ATOM 902 CA ARG 116 4 .697 4 .790 -15 .970 1. 00 43 .78

ATOM 903 CB ARG 116 4 .459 4 .384 -17 .444 1. 00 31 .98

ATOM 904 CG ARG 116 5 .735 4 .116 -18 .207 1. 00 31 .98

ATOM 905 CD ARG 116 5 .841 2 .638 -18 .507 1. 00 31 .98

ATOM 906 NE ARG 116 6 .815 2 .344 -19 .549 1. 00 31 .98

ATOM 907 CZ ARG 116 7 .031 1 .127 -20 .040 1. 00 31 .98

ATOM 908 NHl ARG 116 6 .339 0 .090 -19 .575 1. 00 31 .98

ATOM 909 NH2 ARG 116 7 .927 0 .945 -21 .004 1. 00 31 .98

ATOM 910 C ARG 116 5 .883 5 .731 -16 .145 1. 00 43 .78

ATOM 911 O ARG 116 5 .782 6 .737 -16 .853 1. 00 43 .78

ATOM 912 OXT ARG 116 6 .929 5 .442 -15 .527 1. 00 26 .85

ATOM 913 O HOH S 1 0 .833 28 .389 2 .970 1. 00 11 .44 S ATOM 914 O HOH S 2 -13 .906 16 .457 4 .971 1. 00 9 .85 S ATOM 915 O HOH S 3 -0 .853 24 .804 5 .277 1. 00 10 .18 S ATOM 916 O HOH S 4 -7 .116 10 .003 6 .524 1. 00 0 .00 S ATOM 917 O HOH S 5 6 .330 13 .349 -5 .257 1. 00 18 , .26 q

ATOM 918 O HOH S 6 -4 .196 35 .439 9 .266 1. 00 19. ,17 S 382

ATOM 919 O HOH S 7 -4 .001 34 .499 16.190 1.00 16.74

S

ATOM 920 O HOH S 8 3 .635 30 .849 3.914 1.00 9.26

S

ATOM 921 O HOH S 9 3 .064 27 .254 17.628 1.00 26.25

S

ATOM 922 O HOH S 10 -O .116 34 .621 13.469 1.00 39.29

S

ATOM 923 O HOH S 11 15 .724 24 .822 8.394 1.00 49.50

S

ATOM 924 C ACY L 1 -6 .240 37 .687 23.646 1.00 11.15

L

ATOM 925 O ACY L 1 _ ¹J .443 37 .889 23.614 1.00 9.89

L

ATOM 926 OXT ACY L 1 -5 .532 37 .634 22.508 1.00 10.33

L

ATOM 927 CH3 ACY L 1 -5 .537 37 .497 24.960 1.00 13.31

L

ATOM 928 C ACY L 2 4 .974 8 .594 -0.013 1.00 11.15

L

ATOM 929 O ACY L 2 3 .766 8 .595 -0.048 1.00 9.89

L

ATOM 930 OXT ACY L 2 5 .639 7 .445 0.026 1.00 10.33

L

ATOM 931 CH3 ACY L 2 5 .731 9 .895 -0.006 1.00 13.31

L

ATOM 932 NA NA N 1 -9 .718 32 .879 27.419 1.00 31.56

N

END